NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
592676 | 2msq | 25129 | cing | 4-filtered-FRED | STAR | entry | full | 159 |
data_FRED_restraints_with_modified_coordinates_PDB_code_2msq # This FRED archive file contains, for PDB entry <2msq>: # # - 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_2msq _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 2msq _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "all disulfide bound" _Assembly.Molecular_mass 2759.93 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_cBru9a A . 1 1 stop_ save_ save_Conotoxin_cBru9a _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name "Conotoxin cBru9a" _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code SCGGSCFGGCWXGCSCYARTCFRDGLP _Entity.Number_of_monomers 27 loop_ _Entity_comp_index.ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 SER . 1 1 2 CYS . 1 1 3 GLY . 1 1 4 GLY . 1 1 5 SER . 1 1 6 CYS . 1 1 7 PHE . 1 1 8 GLY . 1 1 9 GLY . 1 1 10 CYS . 1 1 11 TRP . 1 1 12 HYP $HYP 1 1 13 GLY . 1 1 14 CYS . 1 1 15 SER . 1 1 16 CYS . 1 1 17 TYR . 1 1 18 ALA . 1 1 19 ARG . 1 1 20 THR . 1 1 21 CYS . 1 1 22 PHE . 1 1 23 ARG . 1 1 24 ASP . 1 1 25 GLY . 1 1 26 LEU . 1 1 27 PRO . 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 SER 1 1 1 1 CYS 2 2 1 1 GLY 3 3 1 1 GLY 4 4 1 1 SER 5 5 1 1 CYS 6 6 1 1 PHE 7 7 1 1 GLY 8 8 1 1 GLY 9 9 1 1 CYS 10 10 1 1 TRP 11 11 1 1 HYP 12 12 1 1 GLY 13 13 1 1 CYS 14 14 1 1 SER 15 15 1 1 CYS 16 16 1 1 TYR 17 17 1 1 ALA 18 18 1 1 ARG 19 19 1 1 THR 20 20 1 1 CYS 21 21 1 1 PHE 22 22 1 1 ARG 23 23 1 1 ASP 24 24 1 1 GLY 25 25 1 1 LEU 26 26 1 1 PRO 27 27 1 1 stop_ save_ save_HYP _Chem_comp.Sf_category chem_comp _Chem_comp.Entry_ID 1 _Chem_comp.ID HYP _Chem_comp.Type non-polymer save_ save_DYANA/DIANA_distance_constraints_3_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 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 SER H1 . 1 SER H 1 1 1 1 2 1 1 1 SER HB3 . 1 SER HB3 1 1 2 1 1 1 1 1 SER H1 . 1 SER H 1 1 2 1 2 1 1 23 ARG H . 23 ARG H 1 1 3 1 1 1 1 1 SER H1 . 1 SER H 1 1 3 1 2 1 1 26 LEU HG . 26 LEU HG 1 1 4 1 1 1 1 1 SER H1 . 1 SER H 1 1 4 1 2 1 1 27 PRO HA . 27 PRO HA 1 1 5 1 1 1 1 1 SER HA . 1 SER HA 1 1 5 1 2 1 1 1 SER HB3 . 1 SER HB3 1 1 6 1 1 1 1 1 SER HA . 1 SER HA 1 1 6 1 2 1 1 2 CYS H . 2 CYSS H 1 1 7 1 1 1 1 2 CYS H . 2 CYSS H 1 1 7 1 2 1 1 2 CYS HB3 . 2 CYSS HB3 1 1 8 1 1 1 1 2 CYS H . 2 CYSS H 1 1 8 1 2 1 1 3 GLY H . 3 GLY H 1 1 9 1 1 1 1 2 CYS HA . 2 CYSS HA 1 1 9 1 2 1 1 3 GLY H . 3 GLY H 1 1 10 1 1 1 1 2 CYS HB3 . 2 CYSS HB3 1 1 10 1 2 1 1 21 CYS HB3 . 21 CYSS HB3 1 1 11 1 1 1 1 3 GLY H . 3 GLY H 1 1 11 1 2 1 1 3 GLY QA . 3 GLY QA 1 1 12 1 1 1 1 3 GLY H . 3 GLY H 1 1 12 1 2 1 1 4 GLY H . 4 GLY H 1 1 13 1 1 1 1 3 GLY H . 3 GLY H 1 1 13 1 2 1 1 21 CYS HB3 . 21 CYSS HB3 1 1 14 1 1 1 1 3 GLY QA . 3 GLY QA 1 1 14 1 2 1 1 4 GLY H . 4 GLY H 1 1 15 1 1 1 1 3 GLY QA . 3 GLY QA 1 1 15 1 2 1 1 11 TRP HD1 . 11 TRP HD1 1 1 16 1 1 1 1 3 GLY QA . 3 GLY QA 1 1 16 1 2 1 1 11 TRP HE3 . 11 TRP HE3 1 1 17 1 1 1 1 3 GLY HA2 . 3 GLY HA2 1 1 17 1 2 1 1 4 GLY H . 4 GLY H 1 1 18 1 1 1 1 3 GLY HA3 . 3 GLY HA3 1 1 18 1 2 1 1 4 GLY H . 4 GLY H 1 1 19 1 1 1 1 4 GLY H . 4 GLY H 1 1 19 1 2 1 1 4 GLY QA . 4 GLY QA 1 1 20 1 1 1 1 4 GLY QA . 4 GLY QA 1 1 20 1 2 1 1 5 SER H . 5 SER H 1 1 21 1 1 1 1 4 GLY QA . 4 GLY QA 1 1 21 1 2 1 1 11 TRP H . 11 TRP H 1 1 22 1 1 1 1 4 GLY QA . 4 GLY QA 1 1 22 1 2 1 1 11 TRP HA . 11 TRP HA 1 1 23 1 1 1 1 4 GLY QA . 4 GLY QA 1 1 23 1 2 1 1 11 TRP HD1 . 11 TRP HD1 1 1 24 1 1 1 1 4 GLY HA2 . 4 GLY HA2 1 1 24 1 2 1 1 5 SER H . 5 SER H 1 1 25 1 1 1 1 4 GLY HA3 . 4 GLY HA3 1 1 25 1 2 1 1 5 SER H . 5 SER H 1 1 26 1 1 1 1 5 SER H . 5 SER H 1 1 26 1 2 1 1 5 SER HB3 . 5 SER HB3 1 1 27 1 1 1 1 5 SER H . 5 SER H 1 1 27 1 2 1 1 10 CYS HA . 10 CYSS HA 1 1 28 1 1 1 1 5 SER HA . 5 SER HA 1 1 28 1 2 1 1 6 CYS H . 6 CYSS H 1 1 29 1 1 1 1 5 SER HA . 5 SER HA 1 1 29 1 2 1 1 7 PHE H . 7 PHE H 1 1 30 1 1 1 1 6 CYS H . 6 CYSS H 1 1 30 1 2 1 1 6 CYS HB3 . 6 CYSS HB3 1 1 31 1 1 1 1 6 CYS H . 6 CYSS H 1 1 31 1 2 1 1 7 PHE H . 7 PHE H 1 1 32 1 1 1 1 6 CYS HA . 6 CYSS HA 1 1 32 1 2 1 1 7 PHE H . 7 PHE H 1 1 33 1 1 1 1 6 CYS HA . 6 CYSS HA 1 1 33 1 2 1 1 9 GLY H . 9 GLY H 1 1 34 1 1 1 1 7 PHE H . 7 PHE H 1 1 34 1 2 1 1 7 PHE HA . 7 PHE HA 1 1 35 1 1 1 1 7 PHE H . 7 PHE H 1 1 35 1 2 1 1 7 PHE HB3 . 7 PHE HB3 1 1 36 1 1 1 1 7 PHE H . 7 PHE H 1 1 36 1 2 1 1 8 GLY H . 8 GLY H 1 1 37 1 1 1 1 7 PHE H . 7 PHE H 1 1 37 1 2 1 1 9 GLY H . 9 GLY H 1 1 38 1 1 1 1 7 PHE HA . 7 PHE HA 1 1 38 1 2 1 1 8 GLY H . 8 GLY H 1 1 39 1 1 1 1 7 PHE HA . 7 PHE HA 1 1 39 1 2 1 1 9 GLY H . 9 GLY H 1 1 40 1 1 1 1 7 PHE HB3 . 7 PHE HB3 1 1 40 1 2 1 1 8 GLY H . 8 GLY H 1 1 41 1 1 1 1 8 GLY H . 8 GLY H 1 1 41 1 2 1 1 8 GLY HA2 . 8 GLY HA2 1 1 42 1 1 1 1 8 GLY H . 8 GLY H 1 1 42 1 2 1 1 8 GLY HA3 . 8 GLY HA3 1 1 43 1 1 1 1 8 GLY H . 8 GLY H 1 1 43 1 2 1 1 9 GLY H . 9 GLY H 1 1 44 1 1 1 1 9 GLY H . 9 GLY H 1 1 44 1 2 1 1 9 GLY QA . 9 GLY QA 1 1 45 1 1 1 1 9 GLY H . 9 GLY H 1 1 45 1 2 1 1 10 CYS H . 10 CYSS H 1 1 46 1 1 1 1 9 GLY QA . 9 GLY QA 1 1 46 1 2 1 1 10 CYS H . 10 CYSS H 1 1 47 1 1 1 1 9 GLY HA2 . 9 GLY HA2 1 1 47 1 2 1 1 10 CYS H . 10 CYSS H 1 1 48 1 1 1 1 9 GLY HA3 . 9 GLY HA3 1 1 48 1 2 1 1 10 CYS H . 10 CYSS H 1 1 49 1 1 1 1 10 CYS H . 10 CYSS H 1 1 49 1 2 1 1 10 CYS HB3 . 10 CYSS HB3 1 1 50 1 1 1 1 10 CYS HA . 10 CYSS HA 1 1 50 1 2 1 1 11 TRP H . 11 TRP H 1 1 51 1 1 1 1 10 CYS HB3 . 10 CYSS HB3 1 1 51 1 2 1 1 11 TRP H . 11 TRP H 1 1 52 1 1 1 1 10 CYS HB3 . 10 CYSS HB3 1 1 52 1 2 1 1 21 CYS HB3 . 21 CYSS HB3 1 1 53 1 1 1 1 11 TRP H . 11 TRP H 1 1 53 1 2 1 1 11 TRP HA . 11 TRP HA 1 1 54 1 1 1 1 11 TRP H . 11 TRP H 1 1 54 1 2 1 1 11 TRP HB3 . 11 TRP HB3 1 1 55 1 1 1 1 11 TRP H . 11 TRP H 1 1 55 1 2 1 1 11 TRP HD1 . 11 TRP HD1 1 1 56 1 1 1 1 11 TRP H . 11 TRP H 1 1 56 1 2 1 1 21 CYS HB3 . 21 CYSS HB3 1 1 57 1 1 1 1 11 TRP HA . 11 TRP HA 1 1 57 1 2 1 1 11 TRP HD1 . 11 TRP HD1 1 1 58 1 1 1 1 11 TRP HA . 11 TRP HA 1 1 58 1 2 1 1 11 TRP HE3 . 11 TRP HE3 1 1 59 1 1 1 1 11 TRP HB3 . 11 TRP HB3 1 1 59 1 2 1 1 11 TRP HE3 . 11 TRP HE3 1 1 60 1 1 1 1 11 TRP HD1 . 11 TRP HD1 1 1 60 1 2 1 1 12 HYP HD22 . 12 HYP HD22 1 1 61 1 1 1 1 11 TRP HD1 . 11 TRP HD1 1 1 61 1 2 1 1 12 HYP HD23 . 12 HYP HD23 1 1 62 1 1 1 1 12 HYP HA . 12 HYP HA 1 1 62 1 2 1 1 13 GLY H . 13 GLY H 1 1 63 1 1 1 1 12 HYP HA . 12 HYP HA 1 1 63 1 2 1 1 14 CYS H . 14 CYSS H 1 1 64 1 1 1 1 13 GLY H . 13 GLY H 1 1 64 1 2 1 1 13 GLY QA . 13 GLY QA 1 1 65 1 1 1 1 13 GLY H . 13 GLY H 1 1 65 1 2 1 1 14 CYS H . 14 CYSS H 1 1 66 1 1 1 1 13 GLY QA . 13 GLY QA 1 1 66 1 2 1 1 14 CYS H . 14 CYSS H 1 1 67 1 1 1 1 14 CYS H . 14 CYSS H 1 1 67 1 2 1 1 14 CYS HB3 . 14 CYSS HB3 1 1 68 1 1 1 1 14 CYS HA . 14 CYSS HA 1 1 68 1 2 1 1 15 SER H . 15 SER H 1 1 69 1 1 1 1 14 CYS HA . 14 CYSS HA 1 1 69 1 2 1 1 23 ARG HB3 . 23 ARG HB3 1 1 70 1 1 1 1 14 CYS HB3 . 14 CYSS HB3 1 1 70 1 2 1 1 15 SER H . 15 SER H 1 1 71 1 1 1 1 14 CYS HB3 . 14 CYSS HB3 1 1 71 1 2 1 1 21 CYS HB3 . 21 CYSS HB3 1 1 72 1 1 1 1 14 CYS HB3 . 14 CYSS HB3 1 1 72 1 2 1 1 22 PHE H . 22 PHE H 1 1 73 1 1 1 1 15 SER H . 15 SER H 1 1 73 1 2 1 1 15 SER HB3 . 15 SER HB3 1 1 74 1 1 1 1 15 SER H . 15 SER H 1 1 74 1 2 1 1 22 PHE H . 22 PHE H 1 1 75 1 1 1 1 15 SER H . 15 SER H 1 1 75 1 2 1 1 23 ARG HA . 23 ARG HA 1 1 76 1 1 1 1 15 SER HB3 . 15 SER HB3 1 1 76 1 2 1 1 16 CYS H . 16 CYSS H 1 1 77 1 1 1 1 16 CYS H . 16 CYSS H 1 1 77 1 2 1 1 16 CYS HB3 . 16 CYSS HB3 1 1 78 1 1 1 1 16 CYS HA . 16 CYSS HA 1 1 78 1 2 1 1 17 TYR H . 17 TYR H 1 1 79 1 1 1 1 16 CYS HA . 16 CYSS HA 1 1 79 1 2 1 1 20 THR H . 20 THR H 1 1 80 1 1 1 1 16 CYS HA . 16 CYSS HA 1 1 80 1 2 1 1 21 CYS HA . 21 CYSS HA 1 1 81 1 1 1 1 16 CYS HA . 16 CYSS HA 1 1 81 1 2 1 1 22 PHE H . 22 PHE H 1 1 82 1 1 1 1 17 TYR H . 17 TYR H 1 1 82 1 2 1 1 17 TYR HB3 . 17 TYR HB3 1 1 83 1 1 1 1 17 TYR H . 17 TYR H 1 1 83 1 2 1 1 18 ALA H . 18 ALA H 1 1 84 1 1 1 1 17 TYR H . 17 TYR H 1 1 84 1 2 1 1 20 THR H . 20 THR H 1 1 85 1 1 1 1 17 TYR H . 17 TYR H 1 1 85 1 2 1 1 21 CYS HA . 21 CYSS HA 1 1 86 1 1 1 1 17 TYR H . 17 TYR H 1 1 86 1 2 1 1 22 PHE QD . 22 PHE QD 1 1 87 1 1 1 1 17 TYR HA . 17 TYR HA 1 1 87 1 2 1 1 17 TYR QE . 17 TYR QE 1 1 88 1 1 1 1 17 TYR HA . 17 TYR HA 1 1 88 1 2 1 1 18 ALA H . 18 ALA H 1 1 89 1 1 1 1 17 TYR HA . 17 TYR HA 1 1 89 1 2 1 1 19 ARG H . 19 ARG H 1 1 90 1 1 1 1 17 TYR HB3 . 17 TYR HB3 1 1 90 1 2 1 1 18 ALA H . 18 ALA H 1 1 91 1 1 1 1 17 TYR QD . 17 TYR QD 1 1 91 1 2 1 1 18 ALA MB . 18 ALA QB 1 1 92 1 1 1 1 17 TYR QD . 17 TYR QD 1 1 92 1 2 1 1 20 THR HB . 20 THR HB 1 1 93 1 1 1 1 17 TYR QE . 17 TYR QE 1 1 93 1 2 1 1 18 ALA H . 18 ALA H 1 1 94 1 1 1 1 17 TYR QE . 17 TYR QE 1 1 94 1 2 1 1 18 ALA MB . 18 ALA QB 1 1 95 1 1 1 1 18 ALA H . 18 ALA H 1 1 95 1 2 1 1 18 ALA HA . 18 ALA HA 1 1 96 1 1 1 1 18 ALA H . 18 ALA H 1 1 96 1 2 1 1 19 ARG H . 19 ARG H 1 1 97 1 1 1 1 18 ALA H . 18 ALA H 1 1 97 1 2 1 1 20 THR H . 20 THR H 1 1 98 1 1 1 1 18 ALA HA . 18 ALA HA 1 1 98 1 2 1 1 19 ARG H . 19 ARG H 1 1 99 1 1 1 1 18 ALA MB . 18 ALA QB 1 1 99 1 2 1 1 19 ARG H . 19 ARG H 1 1 100 1 1 1 1 19 ARG H . 19 ARG H 1 1 100 1 2 1 1 19 ARG HA . 19 ARG HA 1 1 101 1 1 1 1 19 ARG H . 19 ARG H 1 1 101 1 2 1 1 20 THR H . 20 THR H 1 1 102 1 1 1 1 19 ARG HA . 19 ARG HA 1 1 102 1 2 1 1 19 ARG HE . 19 ARG HE 1 1 103 1 1 1 1 19 ARG HA . 19 ARG HA 1 1 103 1 2 1 1 20 THR H . 20 THR H 1 1 104 1 1 1 1 20 THR H . 20 THR H 1 1 104 1 2 1 1 20 THR HB . 20 THR HB 1 1 105 1 1 1 1 20 THR H . 20 THR H 1 1 105 1 2 1 1 20 THR MG . 20 THR QG2 1 1 106 1 1 1 1 20 THR HA . 20 THR HA 1 1 106 1 2 1 1 21 CYS H . 21 CYSS H 1 1 107 1 1 1 1 20 THR HB . 20 THR HB 1 1 107 1 2 1 1 21 CYS H . 21 CYSS H 1 1 108 1 1 1 1 20 THR HB . 20 THR HB 1 1 108 1 2 1 1 22 PHE QD . 22 PHE QD 1 1 109 1 1 1 1 20 THR MG . 20 THR QG2 1 1 109 1 2 1 1 21 CYS H . 21 CYSS H 1 1 110 1 1 1 1 20 THR MG . 20 THR QG2 1 1 110 1 2 1 1 21 CYS HB3 . 21 CYSS HB3 1 1 111 1 1 1 1 21 CYS H . 21 CYSS H 1 1 111 1 2 1 1 21 CYS HB3 . 21 CYSS HB3 1 1 112 1 1 1 1 21 CYS HA . 21 CYSS HA 1 1 112 1 2 1 1 22 PHE H . 22 PHE H 1 1 113 1 1 1 1 21 CYS HB3 . 21 CYSS HB3 1 1 113 1 2 1 1 22 PHE H . 22 PHE H 1 1 114 1 1 1 1 21 CYS HB3 . 21 CYSS HB3 1 1 114 1 2 1 1 22 PHE HA . 22 PHE HA 1 1 115 1 1 1 1 22 PHE H . 22 PHE H 1 1 115 1 2 1 1 22 PHE HB3 . 22 PHE HB3 1 1 116 1 1 1 1 22 PHE H . 22 PHE H 1 1 116 1 2 1 1 23 ARG H . 23 ARG H 1 1 117 1 1 1 1 22 PHE HA . 22 PHE HA 1 1 117 1 2 1 1 23 ARG H . 23 ARG H 1 1 118 1 1 1 1 22 PHE QD . 22 PHE QD 1 1 118 1 2 1 1 23 ARG H . 23 ARG H 1 1 119 1 1 1 1 22 PHE QD . 22 PHE QD 1 1 119 1 2 1 1 23 ARG HA . 23 ARG HA 1 1 120 1 1 1 1 23 ARG H . 23 ARG H 1 1 120 1 2 1 1 23 ARG HB3 . 23 ARG HB3 1 1 121 1 1 1 1 23 ARG H . 23 ARG H 1 1 121 1 2 1 1 23 ARG HG3 . 23 ARG HG3 1 1 122 1 1 1 1 23 ARG H . 23 ARG H 1 1 122 1 2 1 1 26 LEU H . 26 LEU H 1 1 123 1 1 1 1 23 ARG HA . 23 ARG HA 1 1 123 1 2 1 1 23 ARG HE . 23 ARG HE 1 1 124 1 1 1 1 23 ARG HA . 23 ARG HA 1 1 124 1 2 1 1 24 ASP H . 24 ASP H 1 1 125 1 1 1 1 23 ARG HB3 . 23 ARG HB3 1 1 125 1 2 1 1 23 ARG HE . 23 ARG HE 1 1 126 1 1 1 1 24 ASP H . 24 ASP H 1 1 126 1 2 1 1 25 GLY H . 25 GLY H 1 1 127 1 1 1 1 24 ASP HA . 24 ASP HA 1 1 127 1 2 1 1 25 GLY H . 25 GLY H 1 1 128 1 1 1 1 24 ASP HB3 . 24 ASP HB3 1 1 128 1 2 1 1 25 GLY H . 25 GLY H 1 1 129 1 1 1 1 25 GLY H . 25 GLY H 1 1 129 1 2 1 1 25 GLY QA . 25 GLY QA 1 1 130 1 1 1 1 25 GLY H . 25 GLY H 1 1 130 1 2 1 1 26 LEU H . 26 LEU H 1 1 131 1 1 1 1 26 LEU H . 26 LEU H 1 1 131 1 2 1 1 26 LEU HG . 26 LEU HG 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 . . . . . . . 3.24 1 1 2 1 . . . . . . . 4.45 1 1 3 1 . . . . . . . 5.5 1 1 4 1 . . . . . . . 2.96 1 1 5 1 . . . . . . . 3.02 1 1 6 1 . . . . . . . 3.05 1 1 7 1 . . . . . . . 3.48 1 1 8 1 . . . . . . . 4.28 1 1 9 1 . . . . . . . 3.02 1 1 10 1 . . . . . . . 4.54 1 1 11 1 . . . . . . . 2.58 1 1 12 1 . . . . . . . 4.11 1 1 13 1 . . . . . . . 5.5 1 1 14 1 . . . . . . . 2.66 1 1 15 1 . . . . . . . 5.34 1 1 16 1 . . . . . . . 5.29 1 1 17 1 . . . . . . . 3.11 1 1 18 1 . . . . . . . 3.11 1 1 19 1 . . . . . . . 2.56 1 1 20 1 . . . . . . . 2.44 1 1 21 1 . . . . . . . 3.29 1 1 22 1 . . . . . . . 4.26 1 1 23 1 . . . . . . . 3.93 1 1 24 1 . . . . . . . 2.93 1 1 25 1 . . . . . . . 2.93 1 1 26 1 . . . . . . . 3.27 1 1 27 1 . . . . . . . 3.86 1 1 28 1 . . . . . . . 2.74 1 1 29 1 . . . . . . . 3.95 1 1 30 1 . . . . . . . 3.67 1 1 31 1 . . . . . . . 3.11 1 1 32 1 . . . . . . . 3.33 1 1 33 1 . . . . . . . 4.63 1 1 34 1 . . . . . . . 2.93 1 1 35 1 . . . . . . . 2.65 1 1 36 1 . . . . . . . 3.21 1 1 37 1 . . . . . . . 4.14 1 1 38 1 . . . . . . . 3.25 1 1 39 1 . . . . . . . 4.11 1 1 40 1 . . . . . . . 3.73 1 1 41 1 . . . . . . . 2.83 1 1 42 1 . . . . . . . 2.83 1 1 43 1 . . . . . . . 2.9 1 1 44 1 . . . . . . . 2.56 1 1 45 1 . . . . . . . 3.98 1 1 46 1 . . . . . . . 2.36 1 1 47 1 . . . . . . . 3.02 1 1 48 1 . . . . . . . 3.02 1 1 49 1 . . . . . . . 3.48 1 1 50 1 . . . . . . . 2.83 1 1 51 1 . . . . . . . 2.93 1 1 52 1 . . . . . . . 4.04 1 1 53 1 . . . . . . . 2.83 1 1 54 1 . . . . . . . 3.14 1 1 55 1 . . . . . . . 4.88 1 1 56 1 . . . . . . . 5.5 1 1 57 1 . . . . . . . 3.17 1 1 58 1 . . . . . . . 5.5 1 1 59 1 . . . . . . . 3.61 1 1 60 1 . . . . . . . 5.5 1 1 61 1 . . . . . . . 5.5 1 1 62 1 . . . . . . . 2.59 1 1 63 1 . . . . . . . 3.61 1 1 64 1 . . . . . . . 2.41 1 1 65 1 . . . . . . . 2.93 1 1 66 1 . . . . . . . 3.11 1 1 67 1 . . . . . . . 3.64 1 1 68 1 . . . . . . . 2.71 1 1 69 1 . . . . . . . 5.5 1 1 70 1 . . . . . . . 3.11 1 1 71 1 . . . . . . . 4.79 1 1 72 1 . . . . . . . 5.5 1 1 73 1 . . . . . . . 4.01 1 1 74 1 . . . . . . . 3.24 1 1 75 1 . . . . . . . 3.92 1 1 76 1 . . . . . . . 3.17 1 1 77 1 . . . . . . . 2.74 1 1 78 1 . . . . . . . 2.65 1 1 79 1 . . . . . . . 4.57 1 1 80 1 . . . . . . . 4.17 1 1 81 1 . . . . . . . 4.2 1 1 82 1 . . . . . . . 3.39 1 1 83 1 . . . . . . . 4.66 1 1 84 1 . . . . . . . 3.33 1 1 85 1 . . . . . . . 3.92 1 1 86 1 . . . . . . . 7.63 1 1 87 1 . . . . . . . 6.36 1 1 88 1 . . . . . . . 2.49 1 1 89 1 . . . . . . . 4.42 1 1 90 1 . . . . . . . 4.17 1 1 91 1 . . . . . . . 7.93 1 1 92 1 . . . . . . . 6.95 1 1 93 1 . . . . . . . 7.63 1 1 94 1 . . . . . . . 7.63 1 1 95 1 . . . . . . . 2.4 1 1 96 1 . . . . . . . 3.14 1 1 97 1 . . . . . . . 4.51 1 1 98 1 . . . . . . . 2.59 1 1 99 1 . . . . . . . 4.35 1 1 100 1 . . . . . . . 2.4 1 1 101 1 . . . . . . . 2.99 1 1 102 1 . . . . . . . 5.5 1 1 103 1 . . . . . . . 3.27 1 1 104 1 . . . . . . . 3.05 1 1 105 1 . . . . . . . 4.57 1 1 106 1 . . . . . . . 2.77 1 1 107 1 . . . . . . . 3.17 1 1 108 1 . . . . . . . 7.63 1 1 109 1 . . . . . . . 4.35 1 1 110 1 . . . . . . . 5.84 1 1 111 1 . . . . . . . 3.63 1 1 112 1 . . . . . . . 2.65 1 1 113 1 . . . . . . . 3.7 1 1 114 1 . . . . . . . 4.45 1 1 115 1 . . . . . . . 3.27 1 1 116 1 . . . . . . . 4.14 1 1 117 1 . . . . . . . 2.93 1 1 118 1 . . . . . . . 7.63 1 1 119 1 . . . . . . . 7.63 1 1 120 1 . . . . . . . 3.39 1 1 121 1 . . . . . . . 5.5 1 1 122 1 . . . . . . . 4.28 1 1 123 1 . . . . . . . 5.5 1 1 124 1 . . . . . . . 2.99 1 1 125 1 . . . . . . . 5.5 1 1 126 1 . . . . . . . 4.51 1 1 127 1 . . . . . . . 2.9 1 1 128 1 . . . . . . . 4.45 1 1 129 1 . . . . . . . 2.54 1 1 130 1 . . . . . . . 3.36 1 1 131 1 . . . . . . . 3.73 1 1 stop_ save_ save_DYANA/DIANA_dihedral_5 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID 1 _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID . _Torsion_angle_constraint_list.Block_ID . loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 PHI 1 1 1 SER C 1 1 2 CYS N 1 1 2 CYS CA 1 1 2 CYS C -160.0 -40.0 . 2 CYSS . . 2 CYSS . . 2 CYSS . . 2 CYSS . 1 1 2 PHI 1 1 2 CYS C 1 1 3 GLY N 1 1 3 GLY CA 1 1 3 GLY C -160.0 -40.0 . 3 GLY . . 3 GLY . . 3 GLY . . 3 GLY . 1 1 3 PHI 1 1 3 GLY C 1 1 4 GLY N 1 1 4 GLY CA 1 1 4 GLY C 10.0 89.99999 . 4 GLY . . 4 GLY . . 4 GLY . . 4 GLY . 1 1 4 PHI 1 1 5 SER C 1 1 6 CYS N 1 1 6 CYS CA 1 1 6 CYS C -160.0 -40.0 . 6 CYSS . . 6 CYSS . . 6 CYSS . . 6 CYSS . 1 1 5 CHI1 1 1 6 CYS N 1 1 6 CYS CA 1 1 6 CYS CB 1 1 6 CYS SG -89.99999 -30.0 . 6 CYSS . . 6 CYSS . . 6 CYSS . . 6 CYSS . 1 1 6 PHI 1 1 6 CYS C 1 1 7 PHE N 1 1 7 PHE CA 1 1 7 PHE C -80.0 -50.0 . 7 PHE . . 7 PHE . . 7 PHE . . 7 PHE . 1 1 7 PHI 1 1 7 PHE C 1 1 8 GLY N 1 1 8 GLY CA 1 1 8 GLY C -160.0 -40.0 . 8 GLY . . 8 GLY . . 8 GLY . . 8 GLY . 1 1 8 PHI 1 1 8 GLY C 1 1 9 GLY N 1 1 9 GLY CA 1 1 9 GLY C 10.0 89.99999 . 9 GLY . . 9 GLY . . 9 GLY . . 9 GLY . 1 1 9 PHI 1 1 9 GLY C 1 1 10 CYS N 1 1 10 CYS CA 1 1 10 CYS C -80.0 -50.0 . 10 CYSS . . 10 CYSS . . 10 CYSS . . 10 CYSS . 1 1 10 CHI1 1 1 10 CYS N 1 1 10 CYS CA 1 1 10 CYS CB 1 1 10 CYS SG -89.99999 -30.0 . 10 CYSS . . 10 CYSS . . 10 CYSS . . 10 CYSS . 1 1 11 PHI 1 1 10 CYS C 1 1 11 TRP N 1 1 11 TRP CA 1 1 11 TRP C -160.0 -40.0 . 11 TRP . . 11 TRP . . 11 TRP . . 11 TRP . 1 1 12 PHI 1 1 12 HYP C 1 1 13 GLY N 1 1 13 GLY CA 1 1 13 GLY C 10.0 89.99999 . 13 GLY . . 13 GLY . . 13 GLY . . 13 GLY . 1 1 13 PHI 1 1 13 GLY C 1 1 14 CYS N 1 1 14 CYS CA 1 1 14 CYS C -150.0 -89.99999 . 14 CYSS . . 14 CYSS . . 14 CYSS . . 14 CYSS . 1 1 14 CHI1 1 1 14 CYS N 1 1 14 CYS CA 1 1 14 CYS CB 1 1 14 CYS SG -89.99999 -30.0 . 14 CYSS . . 14 CYSS . . 14 CYSS . . 14 CYSS . 1 1 15 PHI 1 1 15 SER C 1 1 16 CYS N 1 1 16 CYS CA 1 1 16 CYS C -160.0 -40.0 . 16 CYSS . . 16 CYSS . . 16 CYSS . . 16 CYSS . 1 1 16 CHI1 1 1 16 CYS N 1 1 16 CYS CA 1 1 16 CYS CB 1 1 16 CYS SG 150.0 210.0 . 16 CYSS . . 16 CYSS . . 16 CYSS . . 16 CYSS . 1 1 17 PHI 1 1 16 CYS C 1 1 17 TYR N 1 1 17 TYR CA 1 1 17 TYR C -160.0 -40.0 . 17 TYR . . 17 TYR . . 17 TYR . . 17 TYR . 1 1 18 PHI 1 1 17 TYR C 1 1 18 ALA N 1 1 18 ALA CA 1 1 18 ALA C 10.0 89.99999 . 18 ALA . . 18 ALA . . 18 ALA . . 18 ALA . 1 1 19 PHI 1 1 18 ALA C 1 1 19 ARG N 1 1 19 ARG CA 1 1 19 ARG C 10.0 89.99999 . 19 ARG . . 19 ARG . . 19 ARG . . 19 ARG . 1 1 20 PHI 1 1 19 ARG C 1 1 20 THR N 1 1 20 THR CA 1 1 20 THR C -150.0 -89.99999 . 20 THR . . 20 THR . . 20 THR . . 20 THR . 1 1 21 PHI 1 1 20 THR C 1 1 21 CYS N 1 1 21 CYS CA 1 1 21 CYS C -160.0 -40.0 . 21 CYSS . . 21 CYSS . . 21 CYSS . . 21 CYSS . 1 1 22 CHI1 1 1 21 CYS N 1 1 21 CYS CA 1 1 21 CYS CB 1 1 21 CYS SG -89.99999 -30.0 . 21 CYSS . . 21 CYSS . . 21 CYSS . . 21 CYSS . 1 1 23 PHI 1 1 21 CYS C 1 1 22 PHE N 1 1 22 PHE CA 1 1 22 PHE C -160.0 -40.0 . 22 PHE . . 22 PHE . . 22 PHE . . 22 PHE . 1 1 24 PHI 1 1 22 PHE C 1 1 23 ARG N 1 1 23 ARG CA 1 1 23 ARG C -160.0 -40.0 . 23 ARG . . 23 ARG . . 23 ARG . . 23 ARG . 1 1 25 CHI1 1 1 23 ARG N 1 1 23 ARG CA 1 1 23 ARG CB 1 1 23 ARG CG 30.0 89.99999 . 23 ARG . . 23 ARG . . 23 ARG . . 23 ARG . 1 1 26 PHI 1 1 23 ARG C 1 1 24 ASP N 1 1 24 ASP CA 1 1 24 ASP C -160.0 -40.0 . 24 ASP . . 24 ASP . . 24 ASP . . 24 ASP . 1 1 27 PHI 1 1 24 ASP C 1 1 25 GLY N 1 1 25 GLY CA 1 1 25 GLY C 10.0 89.99999 . 25 GLY . . 25 GLY . . 25 GLY . . 25 GLY . 1 1 28 PHI 1 1 25 GLY C 1 1 26 LEU N 1 1 26 LEU CA 1 1 26 LEU C -160.0 -40.0 . 26 LEU . . 26 LEU . . 26 LEU . . 26 LEU . 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 SER C C -3.591 5.670 0.973 1.00 . A A . 1 SER C 1 1 1 2 1 1 1 SER CA C -3.372 6.748 -0.083 1.00 . A A . 1 SER CA 1 1 1 3 1 1 1 SER CB C -4.571 7.697 -0.116 1.00 . A A . 1 SER CB 1 1 1 4 1 1 1 SER H1 H -3.533 5.265 -1.586 1.00 . A A . 1 SER H1 1 1 1 5 1 1 1 SER HA H -2.485 7.310 0.171 1.00 . A A . 1 SER HA 1 1 1 6 1 1 1 SER HB3 H -4.456 8.390 -0.938 1.00 . A A . 1 SER HB3 1 1 1 7 1 1 1 SER HG H -6.183 6.820 0.569 1.00 . A A . 1 SER HG 1 1 1 8 1 1 1 SER N N -3.161 6.152 -1.398 1.00 . A A . 1 SER N 1 1 1 9 1 1 1 SER O O -4.676 5.554 1.544 1.00 . A A . 1 SER O 1 1 1 10 1 1 1 SER OG O -5.783 6.982 -0.288 1.00 . A A . 1 SER OG 1 1 1 11 1 1 2 CYS C C -1.436 3.859 3.165 1.00 . A A . 2 CYS C 1 1 1 12 1 1 2 CYS CA C -2.629 3.810 2.215 1.00 . A A . 2 CYS CA 1 1 1 13 1 1 2 CYS CB C -2.686 2.449 1.519 1.00 . A A . 2 CYS CB 1 1 1 14 1 1 2 CYS H H -1.713 5.020 0.741 1.00 . A A . 2 CYS H 1 1 1 15 1 1 2 CYS HA H -3.534 3.950 2.787 1.00 . A A . 2 CYS HA 1 1 1 16 1 1 2 CYS HB3 H -1.996 1.775 2.006 1.00 . A A . 2 CYS HB3 1 1 1 17 1 1 2 CYS N N -2.553 4.880 1.229 1.00 . A A . 2 CYS N 1 1 1 18 1 1 2 CYS O O -0.290 3.987 2.733 1.00 . A A . 2 CYS O 1 1 1 19 1 1 2 CYS SG S -4.333 1.670 1.542 1.00 . A A . 2 CYS SG 1 1 1 20 1 1 3 GLY C C -0.041 2.424 5.693 1.00 . A A . 3 GLY C 1 1 1 21 1 1 3 GLY CA C -0.652 3.789 5.451 1.00 . A A . 3 GLY CA 1 1 1 22 1 1 3 GLY H H -2.644 3.654 4.747 1.00 . A A . 3 GLY H 1 1 1 23 1 1 3 GLY HA2 H 0.121 4.463 5.113 1.00 . A A . 3 GLY HA2 1 1 1 24 1 1 3 GLY HA3 H -1.056 4.159 6.382 1.00 . A A . 3 GLY HA3 1 1 1 25 1 1 3 GLY N N -1.713 3.755 4.461 1.00 . A A . 3 GLY N 1 1 1 26 1 1 3 GLY O O 0.287 1.706 4.749 1.00 . A A . 3 GLY O 1 1 1 27 1 1 4 GLY C C 2.117 0.629 6.800 1.00 . A A . 4 GLY C 1 1 1 28 1 1 4 GLY CA C 0.694 0.777 7.304 1.00 . A A . 4 GLY CA 1 1 1 29 1 1 4 GLY H H -0.162 2.677 7.675 1.00 . A A . 4 GLY H 1 1 1 30 1 1 4 GLY HA2 H 0.690 0.665 8.377 1.00 . A A . 4 GLY HA2 1 1 1 31 1 1 4 GLY HA3 H 0.088 -0.003 6.868 1.00 . A A . 4 GLY HA3 1 1 1 32 1 1 4 GLY N N 0.116 2.063 6.963 1.00 . A A . 4 GLY N 1 1 1 33 1 1 4 GLY O O 2.665 1.546 6.191 1.00 . A A . 4 GLY O 1 1 1 34 1 1 5 SER C C 4.162 -2.078 5.812 1.00 . A A . 5 SER C 1 1 1 35 1 1 5 SER CA C 4.086 -0.793 6.631 1.00 . A A . 5 SER CA 1 1 1 36 1 1 5 SER CB C 5.011 -0.893 7.846 1.00 . A A . 5 SER CB 1 1 1 37 1 1 5 SER H H 2.226 -1.223 7.547 1.00 . A A . 5 SER H 1 1 1 38 1 1 5 SER HA H 4.405 0.033 6.013 1.00 . A A . 5 SER HA 1 1 1 39 1 1 5 SER HB3 H 5.405 -1.896 7.912 1.00 . A A . 5 SER HB3 1 1 1 40 1 1 5 SER HG H 6.899 -0.410 8.033 1.00 . A A . 5 SER HG 1 1 1 41 1 1 5 SER N N 2.716 -0.530 7.057 1.00 . A A . 5 SER N 1 1 1 42 1 1 5 SER O O 3.347 -2.986 5.982 1.00 . A A . 5 SER O 1 1 1 43 1 1 5 SER OG O 6.090 0.018 7.741 1.00 . A A . 5 SER OG 1 1 1 44 1 1 6 CYS C C 5.924 -4.479 4.872 1.00 . A A . 6 CYS C 1 1 1 45 1 1 6 CYS CA C 5.332 -3.320 4.076 1.00 . A A . 6 CYS CA 1 1 1 46 1 1 6 CYS CB C 6.241 -2.982 2.892 1.00 . A A . 6 CYS CB 1 1 1 47 1 1 6 CYS H H 5.765 -1.391 4.833 1.00 . A A . 6 CYS H 1 1 1 48 1 1 6 CYS HA H 4.363 -3.614 3.700 1.00 . A A . 6 CYS HA 1 1 1 49 1 1 6 CYS HB3 H 6.790 -3.867 2.606 1.00 . A A . 6 CYS HB3 1 1 1 50 1 1 6 CYS N N 5.147 -2.148 4.922 1.00 . A A . 6 CYS N 1 1 1 51 1 1 6 CYS O O 5.782 -5.642 4.495 1.00 . A A . 6 CYS O 1 1 1 52 1 1 6 CYS SG S 5.354 -2.376 1.421 1.00 . A A . 6 CYS SG 1 1 1 53 1 1 7 PHE C C 6.154 -5.862 7.686 1.00 . A A . 7 PHE C 1 1 1 54 1 1 7 PHE CA C 7.203 -5.164 6.826 1.00 . A A . 7 PHE CA 1 1 1 55 1 1 7 PHE CB C 8.272 -4.531 7.719 1.00 . A A . 7 PHE CB 1 1 1 56 1 1 7 PHE CD1 C 10.230 -6.096 7.587 1.00 . A A . 7 PHE CD1 1 1 1 57 1 1 7 PHE CD2 C 9.067 -5.907 9.662 1.00 . A A . 7 PHE CD2 1 1 1 58 1 1 7 PHE CE1 C 11.092 -7.016 8.151 1.00 . A A . 7 PHE CE1 1 1 1 59 1 1 7 PHE CE2 C 9.927 -6.825 10.231 1.00 . A A . 7 PHE CE2 1 1 1 60 1 1 7 PHE CG C 9.208 -5.531 8.335 1.00 . A A . 7 PHE CG 1 1 1 61 1 1 7 PHE CZ C 10.941 -7.382 9.474 1.00 . A A . 7 PHE CZ 1 1 1 62 1 1 7 PHE H H 6.667 -3.207 6.224 1.00 . A A . 7 PHE H 1 1 1 63 1 1 7 PHE HA H 7.669 -5.896 6.184 1.00 . A A . 7 PHE HA 1 1 1 64 1 1 7 PHE HB3 H 7.788 -3.991 8.519 1.00 . A A . 7 PHE HB3 1 1 1 65 1 1 7 PHE HD1 H 10.349 -5.810 6.552 1.00 . A A . 7 PHE HD1 1 1 1 66 1 1 7 PHE HD2 H 8.274 -5.473 10.254 1.00 . A A . 7 PHE HD2 1 1 1 67 1 1 7 PHE HE1 H 11.883 -7.449 7.557 1.00 . A A . 7 PHE HE1 1 1 1 68 1 1 7 PHE HE2 H 9.806 -7.110 11.265 1.00 . A A . 7 PHE HE2 1 1 1 69 1 1 7 PHE HZ H 11.615 -8.100 9.917 1.00 . A A . 7 PHE HZ 1 1 1 70 1 1 7 PHE N N 6.589 -4.152 5.976 1.00 . A A . 7 PHE N 1 1 1 71 1 1 7 PHE O O 6.399 -6.934 8.238 1.00 . A A . 7 PHE O 1 1 1 72 1 1 8 GLY C C 2.584 -5.823 7.862 1.00 . A A . 8 GLY C 1 1 1 73 1 1 8 GLY CA C 3.912 -5.819 8.593 1.00 . A A . 8 GLY CA 1 1 1 74 1 1 8 GLY H H 4.842 -4.391 7.335 1.00 . A A . 8 GLY H 1 1 1 75 1 1 8 GLY HA2 H 4.174 -6.835 8.848 1.00 . A A . 8 GLY HA2 1 1 1 76 1 1 8 GLY HA3 H 3.808 -5.246 9.502 1.00 . A A . 8 GLY HA3 1 1 1 77 1 1 8 GLY N N 4.981 -5.244 7.798 1.00 . A A . 8 GLY N 1 1 1 78 1 1 8 GLY O O 1.524 -5.851 8.486 1.00 . A A . 8 GLY O 1 1 1 79 1 1 9 GLY C C 0.894 -4.392 5.497 1.00 . A A . 9 GLY C 1 1 1 80 1 1 9 GLY CA C 1.426 -5.790 5.739 1.00 . A A . 9 GLY CA 1 1 1 81 1 1 9 GLY H H 3.515 -5.769 6.090 1.00 . A A . 9 GLY H 1 1 1 82 1 1 9 GLY HA2 H 1.631 -6.256 4.787 1.00 . A A . 9 GLY HA2 1 1 1 83 1 1 9 GLY HA3 H 0.672 -6.366 6.255 1.00 . A A . 9 GLY HA3 1 1 1 84 1 1 9 GLY N N 2.640 -5.792 6.533 1.00 . A A . 9 GLY N 1 1 1 85 1 1 9 GLY O O 0.854 -3.568 6.410 1.00 . A A . 9 GLY O 1 1 1 86 1 1 10 CYS C C -1.440 -2.609 4.490 1.00 . A A . 10 CYS C 1 1 1 87 1 1 10 CYS CA C -0.047 -2.813 3.900 1.00 . A A . 10 CYS CA 1 1 1 88 1 1 10 CYS CB C -0.098 -2.663 2.379 1.00 . A A . 10 CYS CB 1 1 1 89 1 1 10 CYS H H 0.541 -4.821 3.576 1.00 . A A . 10 CYS H 1 1 1 90 1 1 10 CYS HA H 0.615 -2.063 4.306 1.00 . A A . 10 CYS HA 1 1 1 91 1 1 10 CYS HB3 H -0.927 -2.023 2.116 1.00 . A A . 10 CYS HB3 1 1 1 92 1 1 10 CYS N N 0.484 -4.122 4.262 1.00 . A A . 10 CYS N 1 1 1 93 1 1 10 CYS O O -2.038 -3.540 5.030 1.00 . A A . 10 CYS O 1 1 1 94 1 1 10 CYS SG S 1.410 -1.947 1.650 1.00 . A A . 10 CYS SG 1 1 1 95 1 1 11 TRP C C -4.331 -1.985 4.317 1.00 . A A . 11 TRP C 1 1 1 96 1 1 11 TRP CA C -3.270 -1.061 4.906 1.00 . A A . 11 TRP CA 1 1 1 97 1 1 11 TRP CB C -3.616 0.397 4.599 1.00 . A A . 11 TRP CB 1 1 1 98 1 1 11 TRP CD1 C -3.055 1.171 6.976 1.00 . A A . 11 TRP CD1 1 1 1 99 1 1 11 TRP CD2 C -4.761 2.269 6.030 1.00 . A A . 11 TRP CD2 1 1 1 100 1 1 11 TRP CE2 C -4.557 2.786 7.324 1.00 . A A . 11 TRP CE2 1 1 1 101 1 1 11 TRP CE3 C -5.784 2.808 5.244 1.00 . A A . 11 TRP CE3 1 1 1 102 1 1 11 TRP CG C -3.790 1.237 5.828 1.00 . A A . 11 TRP CG 1 1 1 103 1 1 11 TRP CH2 C -6.331 4.322 7.055 1.00 . A A . 11 TRP CH2 1 1 1 104 1 1 11 TRP CZ2 C -5.337 3.814 7.847 1.00 . A A . 11 TRP CZ2 1 1 1 105 1 1 11 TRP CZ3 C -6.557 3.828 5.764 1.00 . A A . 11 TRP CZ3 1 1 1 106 1 1 11 TRP H H -1.422 -0.687 3.943 1.00 . A A . 11 TRP H 1 1 1 107 1 1 11 TRP HA H -3.245 -1.199 5.977 1.00 . A A . 11 TRP HA 1 1 1 108 1 1 11 TRP HB3 H -4.540 0.428 4.039 1.00 . A A . 11 TRP HB3 1 1 1 109 1 1 11 TRP HD1 H -2.238 0.483 7.137 1.00 . A A . 11 TRP HD1 1 1 1 110 1 1 11 TRP HE1 H -3.145 2.246 8.778 1.00 . A A . 11 TRP HE1 1 1 1 111 1 1 11 TRP HE3 H -5.974 2.440 4.246 1.00 . A A . 11 TRP HE3 1 1 1 112 1 1 11 TRP HH2 H -6.959 5.119 7.421 1.00 . A A . 11 TRP HH2 1 1 1 113 1 1 11 TRP HZ2 H -5.174 4.207 8.840 1.00 . A A . 11 TRP HZ2 1 1 1 114 1 1 11 TRP HZ3 H -7.351 4.256 5.170 1.00 . A A . 11 TRP HZ3 1 1 1 115 1 1 11 TRP N N -1.948 -1.387 4.383 1.00 . A A . 11 TRP N 1 1 1 116 1 1 11 TRP NE1 N -3.510 2.099 7.881 1.00 . A A . 11 TRP NE1 1 1 1 117 1 1 11 TRP O O -4.092 -2.730 3.350 1.00 . A A . 11 TRP O 1 1 1 118 1 1 12 HYP C C -7.201 -2.381 3.101 1.00 . A A . 12 HYP C 1 1 1 119 1 1 12 HYP CA C -6.666 -2.782 4.465 1.00 . A A . 12 HYP CA 1 1 1 120 1 1 12 HYP CB C -7.729 -2.549 5.554 1.00 . A A . 12 HYP CB 1 1 1 121 1 1 12 HYP CD C -5.915 -1.107 6.037 1.00 . A A . 12 HYP CD 1 1 1 122 1 1 12 HYP CG C -6.977 -1.937 6.679 1.00 . A A . 12 HYP CG 1 1 1 123 1 1 12 HYP HA H -6.392 -3.826 4.448 1.00 . A A . 12 HYP HA 1 1 1 124 1 1 12 HYP HB2 H -8.166 -3.494 5.842 1.00 . A A . 12 HYP HB2 1 1 1 125 1 1 12 HYP HB3 H -8.495 -1.884 5.184 1.00 . A A . 12 HYP HB3 1 1 1 126 1 1 12 HYP HD1 H -6.288 -3.859 6.883 1.00 . A A . 12 HYP HD1 1 1 1 127 1 1 12 HYP HD22 H -6.611 -0.188 5.820 1.00 . A A . 12 HYP HD22 1 1 1 128 1 1 12 HYP HD23 H -5.326 -0.910 6.817 1.00 . A A . 12 HYP HD23 1 1 1 129 1 1 12 HYP HG H -7.835 -1.557 7.330 1.00 . A A . 12 HYP HG 1 1 1 130 1 1 12 HYP N N -5.540 -1.948 4.899 1.00 . A A . 12 HYP N 1 1 1 131 1 1 12 HYP O O -7.689 -1.270 2.902 1.00 . A A . 12 HYP O 1 1 1 132 1 1 12 HYP OD1 O -6.423 -3.083 7.448 1.00 . A A . 12 HYP OD1 1 1 1 133 1 1 13 GLY C C -6.480 -2.496 -0.094 1.00 . A A . 13 GLY C 1 1 1 134 1 1 13 GLY CA C -7.570 -3.044 0.805 1.00 . A A . 13 GLY CA 1 1 1 135 1 1 13 GLY H H -6.701 -4.176 2.369 1.00 . A A . 13 GLY H 1 1 1 136 1 1 13 GLY HA2 H -7.944 -3.964 0.380 1.00 . A A . 13 GLY HA2 1 1 1 137 1 1 13 GLY HA3 H -8.377 -2.327 0.852 1.00 . A A . 13 GLY HA3 1 1 1 138 1 1 13 GLY N N -7.099 -3.308 2.152 1.00 . A A . 13 GLY N 1 1 1 139 1 1 13 GLY O O -6.764 -1.889 -1.128 1.00 . A A . 13 GLY O 1 1 1 140 1 1 14 CYS C C -3.050 -3.329 -0.651 1.00 . A A . 14 CYS C 1 1 1 141 1 1 14 CYS CA C -4.091 -2.227 -0.477 1.00 . A A . 14 CYS CA 1 1 1 142 1 1 14 CYS CB C -3.457 -1.014 0.206 1.00 . A A . 14 CYS CB 1 1 1 143 1 1 14 CYS H H -5.066 -3.197 1.134 1.00 . A A . 14 CYS H 1 1 1 144 1 1 14 CYS HA H -4.454 -1.934 -1.450 1.00 . A A . 14 CYS HA 1 1 1 145 1 1 14 CYS HB3 H -2.443 -0.901 -0.148 1.00 . A A . 14 CYS HB3 1 1 1 146 1 1 14 CYS N N -5.229 -2.707 0.299 1.00 . A A . 14 CYS N 1 1 1 147 1 1 14 CYS O O -3.258 -4.467 -0.231 1.00 . A A . 14 CYS O 1 1 1 148 1 1 14 CYS SG S -4.330 0.554 -0.104 1.00 . A A . 14 CYS SG 1 1 1 149 1 1 15 SER C C 0.509 -3.278 -1.352 1.00 . A A . 15 SER C 1 1 1 150 1 1 15 SER CA C -0.856 -3.941 -1.510 1.00 . A A . 15 SER CA 1 1 1 151 1 1 15 SER CB C -0.982 -4.548 -2.908 1.00 . A A . 15 SER CB 1 1 1 152 1 1 15 SER H H -1.822 -2.059 -1.588 1.00 . A A . 15 SER H 1 1 1 153 1 1 15 SER HA H -0.948 -4.728 -0.776 1.00 . A A . 15 SER HA 1 1 1 154 1 1 15 SER HB3 H -1.254 -5.590 -2.823 1.00 . A A . 15 SER HB3 1 1 1 155 1 1 15 SER HG H -2.306 -4.466 -4.349 1.00 . A A . 15 SER HG 1 1 1 156 1 1 15 SER N N -1.929 -2.982 -1.275 1.00 . A A . 15 SER N 1 1 1 157 1 1 15 SER O O 0.619 -2.052 -1.337 1.00 . A A . 15 SER O 1 1 1 158 1 1 15 SER OG O -1.973 -3.878 -3.668 1.00 . A A . 15 SER OG 1 1 1 159 1 1 16 CYS C C 3.613 -3.501 -2.428 1.00 . A A . 16 CYS C 1 1 1 160 1 1 16 CYS CA C 2.907 -3.595 -1.077 1.00 . A A . 16 CYS CA 1 1 1 161 1 1 16 CYS CB C 3.703 -4.500 -0.136 1.00 . A A . 16 CYS CB 1 1 1 162 1 1 16 CYS H H 1.397 -5.067 -1.255 1.00 . A A . 16 CYS H 1 1 1 163 1 1 16 CYS HA H 2.848 -2.606 -0.647 1.00 . A A . 16 CYS HA 1 1 1 164 1 1 16 CYS HB3 H 3.757 -5.492 -0.562 1.00 . A A . 16 CYS HB3 1 1 1 165 1 1 16 CYS N N 1.549 -4.099 -1.235 1.00 . A A . 16 CYS N 1 1 1 166 1 1 16 CYS O O 4.159 -4.486 -2.924 1.00 . A A . 16 CYS O 1 1 1 167 1 1 16 CYS SG S 5.407 -3.936 0.174 1.00 . A A . 16 CYS SG 1 1 1 168 1 1 17 TYR C C 5.263 -0.968 -4.224 1.00 . A A . 17 TYR C 1 1 1 169 1 1 17 TYR CA C 4.231 -2.087 -4.309 1.00 . A A . 17 TYR CA 1 1 1 170 1 1 17 TYR CB C 3.178 -1.745 -5.366 1.00 . A A . 17 TYR CB 1 1 1 171 1 1 17 TYR CD1 C 4.600 -2.395 -7.348 1.00 . A A . 17 TYR CD1 1 1 1 172 1 1 17 TYR CD2 C 3.471 -0.298 -7.414 1.00 . A A . 17 TYR CD2 1 1 1 173 1 1 17 TYR CE1 C 5.136 -2.152 -8.598 1.00 . A A . 17 TYR CE1 1 1 1 174 1 1 17 TYR CE2 C 4.000 -0.047 -8.665 1.00 . A A . 17 TYR CE2 1 1 1 175 1 1 17 TYR CG C 3.761 -1.475 -6.735 1.00 . A A . 17 TYR CG 1 1 1 176 1 1 17 TYR CZ C 4.832 -0.977 -9.253 1.00 . A A . 17 TYR CZ 1 1 1 177 1 1 17 TYR H H 3.143 -1.563 -2.572 1.00 . A A . 17 TYR H 1 1 1 178 1 1 17 TYR HA H 4.729 -3.001 -4.595 1.00 . A A . 17 TYR HA 1 1 1 179 1 1 17 TYR HB3 H 2.639 -0.864 -5.054 1.00 . A A . 17 TYR HB3 1 1 1 180 1 1 17 TYR HD1 H 4.837 -3.316 -6.833 1.00 . A A . 17 TYR HD1 1 1 1 181 1 1 17 TYR HD2 H 2.819 0.429 -6.950 1.00 . A A . 17 TYR HD2 1 1 1 182 1 1 17 TYR HE1 H 5.786 -2.880 -9.059 1.00 . A A . 17 TYR HE1 1 1 1 183 1 1 17 TYR HE2 H 3.762 0.874 -9.178 1.00 . A A . 17 TYR HE2 1 1 1 184 1 1 17 TYR HH H 5.911 -1.472 -10.765 1.00 . A A . 17 TYR HH 1 1 1 185 1 1 17 TYR N N 3.595 -2.310 -3.017 1.00 . A A . 17 TYR N 1 1 1 186 1 1 17 TYR O O 4.970 0.127 -3.745 1.00 . A A . 17 TYR O 1 1 1 187 1 1 17 TYR OH O 5.362 -0.730 -10.499 1.00 . A A . 17 TYR OH 1 1 1 188 1 1 18 ALA C C 7.926 0.103 -3.239 1.00 . A A . 18 ALA C 1 1 1 189 1 1 18 ALA CA C 7.552 -0.270 -4.670 1.00 . A A . 18 ALA CA 1 1 1 190 1 1 18 ALA CB C 7.149 0.971 -5.453 1.00 . A A . 18 ALA CB 1 1 1 191 1 1 18 ALA H H 6.648 -2.143 -5.059 1.00 . A A . 18 ALA H 1 1 1 192 1 1 18 ALA HA H 8.412 -0.708 -5.154 1.00 . A A . 18 ALA HA 1 1 1 193 1 1 18 ALA HB1 H 6.734 0.675 -6.405 1.00 . A A . 18 ALA HB1 1 1 1 194 1 1 18 ALA HB2 H 6.410 1.525 -4.893 1.00 . A A . 18 ALA HB2 1 1 1 195 1 1 18 ALA HB3 H 8.018 1.591 -5.616 1.00 . A A . 18 ALA HB3 1 1 1 196 1 1 18 ALA N N 6.474 -1.252 -4.691 1.00 . A A . 18 ALA N 1 1 1 197 1 1 18 ALA O O 8.113 1.278 -2.924 1.00 . A A . 18 ALA O 1 1 1 198 1 1 19 ARG C C 7.416 0.299 -0.328 1.00 . A A . 19 ARG C 1 1 1 199 1 1 19 ARG CA C 8.385 -0.680 -0.982 1.00 . A A . 19 ARG CA 1 1 1 200 1 1 19 ARG CB C 9.815 -0.150 -0.871 1.00 . A A . 19 ARG CB 1 1 1 201 1 1 19 ARG CD C 11.207 -1.772 -2.193 1.00 . A A . 19 ARG CD 1 1 1 202 1 1 19 ARG CG C 10.868 -1.244 -0.808 1.00 . A A . 19 ARG CG 1 1 1 203 1 1 19 ARG CZ C 10.559 -3.664 -3.623 1.00 . A A . 19 ARG CZ 1 1 1 204 1 1 19 ARG H H 7.874 -1.819 -2.691 1.00 . A A . 19 ARG H 1 1 1 205 1 1 19 ARG HA H 8.321 -1.628 -0.467 1.00 . A A . 19 ARG HA 1 1 1 206 1 1 19 ARG HB3 H 9.896 0.449 0.023 1.00 . A A . 19 ARG HB3 1 1 1 207 1 1 19 ARG HD3 H 12.222 -2.143 -2.184 1.00 . A A . 19 ARG HD3 1 1 1 208 1 1 19 ARG HE H 9.482 -2.969 -2.094 1.00 . A A . 19 ARG HE 1 1 1 209 1 1 19 ARG HG3 H 10.492 -2.057 -0.204 1.00 . A A . 19 ARG HG3 1 1 1 210 1 1 19 ARG HH11 H 12.325 -2.806 -4.097 1.00 . A A . 19 ARG HH11 1 1 1 211 1 1 19 ARG HH12 H 11.857 -4.142 -5.096 1.00 . A A . 19 ARG HH12 1 1 1 212 1 1 19 ARG HH21 H 8.854 -4.728 -3.403 1.00 . A A . 19 ARG HH21 1 1 1 213 1 1 19 ARG HH22 H 9.882 -5.233 -4.701 1.00 . A A . 19 ARG HH22 1 1 1 214 1 1 19 ARG N N 8.034 -0.904 -2.379 1.00 . A A . 19 ARG N 1 1 1 215 1 1 19 ARG NE N 10.311 -2.849 -2.603 1.00 . A A . 19 ARG NE 1 1 1 216 1 1 19 ARG NH1 N 11.672 -3.525 -4.330 1.00 . A A . 19 ARG NH1 1 1 1 217 1 1 19 ARG NH2 N 9.694 -4.621 -3.935 1.00 . A A . 19 ARG NH2 1 1 1 218 1 1 19 ARG O O 7.737 0.931 0.679 1.00 . A A . 19 ARG O 1 1 1 219 1 1 20 THR C C 3.806 0.816 -0.693 1.00 . A A . 20 THR C 1 1 1 220 1 1 20 THR CA C 5.209 1.326 -0.382 1.00 . A A . 20 THR CA 1 1 1 221 1 1 20 THR CB C 5.366 2.744 -0.962 1.00 . A A . 20 THR CB 1 1 1 222 1 1 20 THR CG2 C 4.776 3.782 -0.019 1.00 . A A . 20 THR CG2 1 1 1 223 1 1 20 THR H H 6.027 -0.107 -1.708 1.00 . A A . 20 THR H 1 1 1 224 1 1 20 THR HA H 5.333 1.382 0.689 1.00 . A A . 20 THR HA 1 1 1 225 1 1 20 THR HB H 4.838 2.793 -1.902 1.00 . A A . 20 THR HB 1 1 1 226 1 1 20 THR HG1 H 6.879 3.982 -1.228 1.00 . A A . 20 THR HG1 1 1 1 227 1 1 20 THR HG21 H 3.750 3.976 -0.294 1.00 . A A . 20 THR HG21 1 1 1 228 1 1 20 THR HG22 H 5.346 4.697 -0.088 1.00 . A A . 20 THR HG22 1 1 1 229 1 1 20 THR HG23 H 4.814 3.411 0.994 1.00 . A A . 20 THR HG23 1 1 1 230 1 1 20 THR N N 6.225 0.422 -0.908 1.00 . A A . 20 THR N 1 1 1 231 1 1 20 THR O O 3.627 -0.064 -1.534 1.00 . A A . 20 THR O 1 1 1 232 1 1 20 THR OG1 O 6.751 3.031 -1.189 1.00 . A A . 20 THR OG1 1 1 1 233 1 1 21 CYS C C 0.748 1.870 -1.241 1.00 . A A . 21 CYS C 1 1 1 234 1 1 21 CYS CA C 1.426 0.975 -0.208 1.00 . A A . 21 CYS CA 1 1 1 235 1 1 21 CYS CB C 0.660 1.033 1.115 1.00 . A A . 21 CYS CB 1 1 1 236 1 1 21 CYS H H 3.021 2.070 0.652 1.00 . A A . 21 CYS H 1 1 1 237 1 1 21 CYS HA H 1.422 -0.041 -0.573 1.00 . A A . 21 CYS HA 1 1 1 238 1 1 21 CYS HB3 H -0.362 0.729 0.944 1.00 . A A . 21 CYS HB3 1 1 1 239 1 1 21 CYS N N 2.815 1.373 -0.006 1.00 . A A . 21 CYS N 1 1 1 240 1 1 21 CYS O O 0.676 3.087 -1.072 1.00 . A A . 21 CYS O 1 1 1 241 1 1 21 CYS SG S 1.347 -0.037 2.420 1.00 . A A . 21 CYS SG 1 1 1 242 1 1 22 PHE C C -1.303 1.074 -4.206 1.00 . A A . 22 PHE C 1 1 1 243 1 1 22 PHE CA C -0.421 1.999 -3.373 1.00 . A A . 22 PHE CA 1 1 1 244 1 1 22 PHE CB C 0.608 2.689 -4.272 1.00 . A A . 22 PHE CB 1 1 1 245 1 1 22 PHE CD1 C 0.369 5.145 -3.820 1.00 . A A . 22 PHE CD1 1 1 1 246 1 1 22 PHE CD2 C -0.331 4.310 -5.941 1.00 . A A . 22 PHE CD2 1 1 1 247 1 1 22 PHE CE1 C 0.000 6.422 -4.199 1.00 . A A . 22 PHE CE1 1 1 1 248 1 1 22 PHE CE2 C -0.702 5.585 -6.325 1.00 . A A . 22 PHE CE2 1 1 1 249 1 1 22 PHE CG C 0.207 4.076 -4.686 1.00 . A A . 22 PHE CG 1 1 1 250 1 1 22 PHE CZ C -0.535 6.643 -5.454 1.00 . A A . 22 PHE CZ 1 1 1 251 1 1 22 PHE H H 0.340 0.285 -2.389 1.00 . A A . 22 PHE H 1 1 1 252 1 1 22 PHE HA H -1.042 2.750 -2.909 1.00 . A A . 22 PHE HA 1 1 1 253 1 1 22 PHE HB3 H 0.744 2.100 -5.166 1.00 . A A . 22 PHE HB3 1 1 1 254 1 1 22 PHE HD1 H 0.787 4.975 -2.839 1.00 . A A . 22 PHE HD1 1 1 1 255 1 1 22 PHE HD2 H -0.461 3.482 -6.625 1.00 . A A . 22 PHE HD2 1 1 1 256 1 1 22 PHE HE1 H 0.132 7.248 -3.515 1.00 . A A . 22 PHE HE1 1 1 1 257 1 1 22 PHE HE2 H -1.119 5.754 -7.307 1.00 . A A . 22 PHE HE2 1 1 1 258 1 1 22 PHE HZ H -0.823 7.640 -5.751 1.00 . A A . 22 PHE HZ 1 1 1 259 1 1 22 PHE N N 0.252 1.258 -2.312 1.00 . A A . 22 PHE N 1 1 1 260 1 1 22 PHE O O -0.937 -0.068 -4.484 1.00 . A A . 22 PHE O 1 1 1 261 1 1 23 ARG C C -4.395 1.707 -6.121 1.00 . A A . 23 ARG C 1 1 1 262 1 1 23 ARG CA C -3.405 0.797 -5.400 1.00 . A A . 23 ARG CA 1 1 1 263 1 1 23 ARG CB C -4.159 -0.197 -4.516 1.00 . A A . 23 ARG CB 1 1 1 264 1 1 23 ARG CD C -6.625 0.225 -4.282 1.00 . A A . 23 ARG CD 1 1 1 265 1 1 23 ARG CG C -5.250 0.443 -3.673 1.00 . A A . 23 ARG CG 1 1 1 266 1 1 23 ARG CZ C -8.669 -1.050 -3.789 1.00 . A A . 23 ARG CZ 1 1 1 267 1 1 23 ARG H H -2.705 2.494 -4.348 1.00 . A A . 23 ARG H 1 1 1 268 1 1 23 ARG HA H -2.836 0.249 -6.138 1.00 . A A . 23 ARG HA 1 1 1 269 1 1 23 ARG HB3 H -3.456 -0.676 -3.852 1.00 . A A . 23 ARG HB3 1 1 1 270 1 1 23 ARG HD3 H -6.505 -0.074 -5.313 1.00 . A A . 23 ARG HD3 1 1 1 271 1 1 23 ARG HE H -6.904 -1.337 -2.904 1.00 . A A . 23 ARG HE 1 1 1 272 1 1 23 ARG HG3 H -5.060 1.504 -3.603 1.00 . A A . 23 ARG HG3 1 1 1 273 1 1 23 ARG HH11 H -8.877 0.373 -5.208 1.00 . A A . 23 ARG HH11 1 1 1 274 1 1 23 ARG HH12 H -10.310 -0.533 -4.850 1.00 . A A . 23 ARG HH12 1 1 1 275 1 1 23 ARG HH21 H -8.784 -2.538 -2.426 1.00 . A A . 23 ARG HH21 1 1 1 276 1 1 23 ARG HH22 H -10.255 -2.189 -3.267 1.00 . A A . 23 ARG HH22 1 1 1 277 1 1 23 ARG N N -2.469 1.577 -4.601 1.00 . A A . 23 ARG N 1 1 1 278 1 1 23 ARG NE N -7.381 -0.803 -3.574 1.00 . A A . 23 ARG NE 1 1 1 279 1 1 23 ARG NH1 N -9.340 -0.345 -4.689 1.00 . A A . 23 ARG NH1 1 1 1 280 1 1 23 ARG NH2 N -9.287 -2.004 -3.104 1.00 . A A . 23 ARG NH2 1 1 1 281 1 1 23 ARG O O -4.795 2.746 -5.594 1.00 . A A . 23 ARG O 1 1 1 282 1 1 24 ASP C C -6.970 2.439 -7.299 1.00 . A A . 24 ASP C 1 1 1 283 1 1 24 ASP CA C -5.731 2.091 -8.119 1.00 . A A . 24 ASP CA 1 1 1 284 1 1 24 ASP CB C -6.135 1.318 -9.376 1.00 . A A . 24 ASP CB 1 1 1 285 1 1 24 ASP CG C -5.275 1.670 -10.572 1.00 . A A . 24 ASP CG 1 1 1 286 1 1 24 ASP H H -4.432 0.473 -7.693 1.00 . A A . 24 ASP H 1 1 1 287 1 1 24 ASP HA H -5.240 3.007 -8.412 1.00 . A A . 24 ASP HA 1 1 1 288 1 1 24 ASP HB3 H -7.164 1.545 -9.614 1.00 . A A . 24 ASP HB3 1 1 1 289 1 1 24 ASP N N -4.787 1.312 -7.327 1.00 . A A . 24 ASP N 1 1 1 290 1 1 24 ASP O O -7.565 1.575 -6.657 1.00 . A A . 24 ASP O 1 1 1 291 1 1 24 ASP OD1 O -4.073 1.331 -10.560 1.00 . A A . 24 ASP OD1 1 1 1 292 1 1 24 ASP OD2 O -5.804 2.283 -11.523 1.00 . A A . 24 ASP OD2 1 1 1 293 1 1 25 GLY C C -8.169 4.620 -5.183 1.00 . A A . 25 GLY C 1 1 1 294 1 1 25 GLY CA C -8.518 4.153 -6.582 1.00 . A A . 25 GLY CA 1 1 1 295 1 1 25 GLY H H -6.840 4.357 -7.857 1.00 . A A . 25 GLY H 1 1 1 296 1 1 25 GLY HA2 H -8.987 4.965 -7.116 1.00 . A A . 25 GLY HA2 1 1 1 297 1 1 25 GLY HA3 H -9.216 3.331 -6.510 1.00 . A A . 25 GLY HA3 1 1 1 298 1 1 25 GLY N N -7.353 3.712 -7.327 1.00 . A A . 25 GLY N 1 1 1 299 1 1 25 GLY O O -8.912 5.393 -4.575 1.00 . A A . 25 GLY O 1 1 1 300 1 1 26 LEU C C -5.104 4.856 -3.326 1.00 . A A . 26 LEU C 1 1 1 301 1 1 26 LEU CA C -6.592 4.524 -3.331 1.00 . A A . 26 LEU CA 1 1 1 302 1 1 26 LEU CB C -6.879 3.393 -2.342 1.00 . A A . 26 LEU CB 1 1 1 303 1 1 26 LEU CD1 C -8.905 1.929 -2.158 1.00 . A A . 26 LEU CD1 1 1 1 304 1 1 26 LEU CD2 C -8.374 3.559 -0.336 1.00 . A A . 26 LEU CD2 1 1 1 305 1 1 26 LEU CG C -8.318 3.294 -1.833 1.00 . A A . 26 LEU CG 1 1 1 306 1 1 26 LEU H H -6.489 3.538 -5.200 1.00 . A A . 26 LEU H 1 1 1 307 1 1 26 LEU HA H -7.145 5.402 -3.031 1.00 . A A . 26 LEU HA 1 1 1 308 1 1 26 LEU HB3 H -6.233 3.531 -1.486 1.00 . A A . 26 LEU HB3 1 1 1 309 1 1 26 LEU HD11 H -8.217 1.158 -1.850 1.00 . A A . 26 LEU HD11 1 1 1 310 1 1 26 LEU HD12 H -9.077 1.854 -3.222 1.00 . A A . 26 LEU HD12 1 1 1 311 1 1 26 LEU HD13 H -9.842 1.807 -1.634 1.00 . A A . 26 LEU HD13 1 1 1 312 1 1 26 LEU HD21 H -7.733 2.857 0.178 1.00 . A A . 26 LEU HD21 1 1 1 313 1 1 26 LEU HD22 H -9.389 3.441 0.012 1.00 . A A . 26 LEU HD22 1 1 1 314 1 1 26 LEU HD23 H -8.039 4.567 -0.136 1.00 . A A . 26 LEU HD23 1 1 1 315 1 1 26 LEU HG H -8.920 4.042 -2.329 1.00 . A A . 26 LEU HG 1 1 1 316 1 1 26 LEU N N -7.038 4.150 -4.669 1.00 . A A . 26 LEU N 1 1 1 317 1 1 26 LEU O O -4.270 4.071 -2.873 1.00 . A A . 26 LEU O 1 1 1 318 1 1 27 PRO C C -2.803 6.830 -2.523 1.00 . A A . 27 PRO C 1 1 1 319 1 1 27 PRO CA C -3.371 6.511 -3.901 1.00 . A A . 27 PRO CA 1 1 1 320 1 1 27 PRO CB C -3.459 7.780 -4.751 1.00 . A A . 27 PRO CB 1 1 1 321 1 1 27 PRO CD C -5.701 7.033 -4.395 1.00 . A A . 27 PRO CD 1 1 1 322 1 1 27 PRO CG C -4.856 8.264 -4.566 1.00 . A A . 27 PRO CG 1 1 1 323 1 1 27 PRO HA H -2.734 5.790 -4.394 1.00 . A A . 27 PRO HA 1 1 1 324 1 1 27 PRO HB3 H -3.258 7.541 -5.784 1.00 . A A . 27 PRO HB3 1 1 1 325 1 1 27 PRO HD3 H -6.084 6.702 -5.349 1.00 . A A . 27 PRO HD3 1 1 1 326 1 1 27 PRO HG3 H -5.171 8.817 -5.438 1.00 . A A . 27 PRO HG3 1 1 1 327 1 1 27 PRO N N -4.760 6.046 -3.838 1.00 . A A . 27 PRO N 1 1 1 328 1 1 27 PRO O O -1.955 7.711 -2.379 1.00 . A A . 27 PRO O 1 1 2 329 1 1 1 SER C C -3.804 4.991 0.691 1.00 . A A . 1 SER C 1 1 2 330 1 1 1 SER CA C -3.510 6.109 -0.305 1.00 . A A . 1 SER CA 1 1 2 331 1 1 1 SER CB C -4.647 7.132 -0.292 1.00 . A A . 1 SER CB 1 1 2 332 1 1 1 SER H1 H -4.118 5.375 -2.196 1.00 . A A . 1 SER H1 1 1 2 333 1 1 1 SER HA H -2.593 6.599 -0.019 1.00 . A A . 1 SER HA 1 1 2 334 1 1 1 SER HB3 H -4.338 8.017 -0.827 1.00 . A A . 1 SER HB3 1 1 2 335 1 1 1 SER HG H -6.591 6.939 -0.454 1.00 . A A . 1 SER HG 1 1 2 336 1 1 1 SER N N -3.329 5.570 -1.649 1.00 . A A . 1 SER N 1 1 2 337 1 1 1 SER O O -4.955 4.600 0.883 1.00 . A A . 1 SER O 1 1 2 338 1 1 1 SER OG O -5.811 6.609 -0.908 1.00 . A A . 1 SER OG 1 1 2 339 1 1 2 CYS C C -1.675 3.342 3.216 1.00 . A A . 2 CYS C 1 1 2 340 1 1 2 CYS CA C -2.895 3.410 2.303 1.00 . A A . 2 CYS CA 1 1 2 341 1 1 2 CYS CB C -3.089 2.067 1.594 1.00 . A A . 2 CYS CB 1 1 2 342 1 1 2 CYS H H -1.859 4.836 1.131 1.00 . A A . 2 CYS H 1 1 2 343 1 1 2 CYS HA H -3.767 3.620 2.902 1.00 . A A . 2 CYS HA 1 1 2 344 1 1 2 CYS HB3 H -2.212 1.457 1.749 1.00 . A A . 2 CYS HB3 1 1 2 345 1 1 2 CYS N N -2.752 4.482 1.325 1.00 . A A . 2 CYS N 1 1 2 346 1 1 2 CYS O O -0.538 3.470 2.764 1.00 . A A . 2 CYS O 1 1 2 347 1 1 2 CYS SG S -4.534 1.122 2.177 1.00 . A A . 2 CYS SG 1 1 2 348 1 1 3 GLY C C -0.261 1.660 5.578 1.00 . A A . 3 GLY C 1 1 2 349 1 1 3 GLY CA C -0.832 3.059 5.465 1.00 . A A . 3 GLY CA 1 1 2 350 1 1 3 GLY H H -2.846 3.045 4.813 1.00 . A A . 3 GLY H 1 1 2 351 1 1 3 GLY HA2 H -0.047 3.734 5.160 1.00 . A A . 3 GLY HA2 1 1 2 352 1 1 3 GLY HA3 H -1.198 3.365 6.435 1.00 . A A . 3 GLY HA3 1 1 2 353 1 1 3 GLY N N -1.920 3.140 4.508 1.00 . A A . 3 GLY N 1 1 2 354 1 1 3 GLY O O -0.200 0.926 4.592 1.00 . A A . 3 GLY O 1 1 2 355 1 1 4 GLY C C 2.124 -0.162 6.433 1.00 . A A . 4 GLY C 1 1 2 356 1 1 4 GLY CA C 0.724 -0.032 6.998 1.00 . A A . 4 GLY CA 1 1 2 357 1 1 4 GLY H H 0.085 1.915 7.533 1.00 . A A . 4 GLY H 1 1 2 358 1 1 4 GLY HA2 H 0.755 -0.230 8.059 1.00 . A A . 4 GLY HA2 1 1 2 359 1 1 4 GLY HA3 H 0.087 -0.765 6.523 1.00 . A A . 4 GLY HA3 1 1 2 360 1 1 4 GLY N N 0.159 1.287 6.783 1.00 . A A . 4 GLY N 1 1 2 361 1 1 4 GLY O O 2.502 0.569 5.516 1.00 . A A . 4 GLY O 1 1 2 362 1 1 5 SER C C 4.329 -2.442 5.508 1.00 . A A . 5 SER C 1 1 2 363 1 1 5 SER CA C 4.268 -1.310 6.531 1.00 . A A . 5 SER CA 1 1 2 364 1 1 5 SER CB C 5.174 -1.635 7.721 1.00 . A A . 5 SER CB 1 1 2 365 1 1 5 SER H H 2.541 -1.642 7.710 1.00 . A A . 5 SER H 1 1 2 366 1 1 5 SER HA H 4.613 -0.401 6.064 1.00 . A A . 5 SER HA 1 1 2 367 1 1 5 SER HB3 H 5.794 -0.778 7.941 1.00 . A A . 5 SER HB3 1 1 2 368 1 1 5 SER HG H 4.197 -2.891 8.864 1.00 . A A . 5 SER HG 1 1 2 369 1 1 5 SER N N 2.899 -1.092 6.983 1.00 . A A . 5 SER N 1 1 2 370 1 1 5 SER O O 3.488 -3.341 5.510 1.00 . A A . 5 SER O 1 1 2 371 1 1 5 SER OG O 4.409 -1.955 8.871 1.00 . A A . 5 SER OG 1 1 2 372 1 1 6 CYS C C 6.222 -4.631 4.167 1.00 . A A . 6 CYS C 1 1 2 373 1 1 6 CYS CA C 5.502 -3.407 3.607 1.00 . A A . 6 CYS CA 1 1 2 374 1 1 6 CYS CB C 6.287 -2.837 2.423 1.00 . A A . 6 CYS CB 1 1 2 375 1 1 6 CYS H H 5.969 -1.646 4.685 1.00 . A A . 6 CYS H 1 1 2 376 1 1 6 CYS HA H 4.522 -3.704 3.267 1.00 . A A . 6 CYS HA 1 1 2 377 1 1 6 CYS HB3 H 6.838 -3.635 1.949 1.00 . A A . 6 CYS HB3 1 1 2 378 1 1 6 CYS N N 5.330 -2.389 4.636 1.00 . A A . 6 CYS N 1 1 2 379 1 1 6 CYS O O 6.119 -5.729 3.620 1.00 . A A . 6 CYS O 1 1 2 380 1 1 6 CYS SG S 5.247 -2.049 1.152 1.00 . A A . 6 CYS SG 1 1 2 381 1 1 7 PHE C C 6.748 -6.429 6.678 1.00 . A A . 7 PHE C 1 1 2 382 1 1 7 PHE CA C 7.688 -5.518 5.895 1.00 . A A . 7 PHE CA 1 1 2 383 1 1 7 PHE CB C 8.766 -4.957 6.824 1.00 . A A . 7 PHE CB 1 1 2 384 1 1 7 PHE CD1 C 10.467 -6.711 6.253 1.00 . A A . 7 PHE CD1 1 1 2 385 1 1 7 PHE CD2 C 10.120 -6.175 8.550 1.00 . A A . 7 PHE CD2 1 1 2 386 1 1 7 PHE CE1 C 11.424 -7.642 6.610 1.00 . A A . 7 PHE CE1 1 1 2 387 1 1 7 PHE CE2 C 11.076 -7.104 8.914 1.00 . A A . 7 PHE CE2 1 1 2 388 1 1 7 PHE CG C 9.805 -5.968 7.217 1.00 . A A . 7 PHE CG 1 1 2 389 1 1 7 PHE CZ C 11.729 -7.838 7.943 1.00 . A A . 7 PHE CZ 1 1 2 390 1 1 7 PHE H H 6.994 -3.533 5.649 1.00 . A A . 7 PHE H 1 1 2 391 1 1 7 PHE HA H 8.162 -6.095 5.116 1.00 . A A . 7 PHE HA 1 1 2 392 1 1 7 PHE HB3 H 8.298 -4.592 7.727 1.00 . A A . 7 PHE HB3 1 1 2 393 1 1 7 PHE HD1 H 10.230 -6.558 5.210 1.00 . A A . 7 PHE HD1 1 1 2 394 1 1 7 PHE HD2 H 9.611 -5.601 9.310 1.00 . A A . 7 PHE HD2 1 1 2 395 1 1 7 PHE HE1 H 11.932 -8.213 5.850 1.00 . A A . 7 PHE HE1 1 1 2 396 1 1 7 PHE HE2 H 11.313 -7.255 9.957 1.00 . A A . 7 PHE HE2 1 1 2 397 1 1 7 PHE HZ H 12.476 -8.565 8.226 1.00 . A A . 7 PHE HZ 1 1 2 398 1 1 7 PHE N N 6.951 -4.432 5.260 1.00 . A A . 7 PHE N 1 1 2 399 1 1 7 PHE O O 7.101 -7.556 7.023 1.00 . A A . 7 PHE O 1 1 2 400 1 1 8 GLY C C 3.200 -6.685 7.060 1.00 . A A . 8 GLY C 1 1 2 401 1 1 8 GLY CA C 4.575 -6.712 7.699 1.00 . A A . 8 GLY CA 1 1 2 402 1 1 8 GLY H H 5.320 -5.026 6.657 1.00 . A A . 8 GLY H 1 1 2 403 1 1 8 GLY HA2 H 4.915 -7.735 7.752 1.00 . A A . 8 GLY HA2 1 1 2 404 1 1 8 GLY HA3 H 4.500 -6.315 8.700 1.00 . A A . 8 GLY HA3 1 1 2 405 1 1 8 GLY N N 5.547 -5.931 6.957 1.00 . A A . 8 GLY N 1 1 2 406 1 1 8 GLY O O 2.193 -6.922 7.725 1.00 . A A . 8 GLY O 1 1 2 407 1 1 9 GLY C C 1.269 -4.958 5.085 1.00 . A A . 9 GLY C 1 1 2 408 1 1 9 GLY CA C 1.892 -6.340 5.055 1.00 . A A . 9 GLY CA 1 1 2 409 1 1 9 GLY H H 3.993 -6.213 5.282 1.00 . A A . 9 GLY H 1 1 2 410 1 1 9 GLY HA2 H 2.054 -6.629 4.027 1.00 . A A . 9 GLY HA2 1 1 2 411 1 1 9 GLY HA3 H 1.208 -7.040 5.511 1.00 . A A . 9 GLY HA3 1 1 2 412 1 1 9 GLY N N 3.158 -6.394 5.763 1.00 . A A . 9 GLY N 1 1 2 413 1 1 9 GLY O O 1.175 -4.335 6.142 1.00 . A A . 9 GLY O 1 1 2 414 1 1 10 CYS C C -1.084 -3.110 4.591 1.00 . A A . 10 CYS C 1 1 2 415 1 1 10 CYS CA C 0.230 -3.160 3.816 1.00 . A A . 10 CYS CA 1 1 2 416 1 1 10 CYS CB C -0.018 -2.805 2.349 1.00 . A A . 10 CYS CB 1 1 2 417 1 1 10 CYS H H 0.947 -5.022 3.112 1.00 . A A . 10 CYS H 1 1 2 418 1 1 10 CYS HA H 0.912 -2.441 4.242 1.00 . A A . 10 CYS HA 1 1 2 419 1 1 10 CYS HB3 H -0.899 -2.183 2.280 1.00 . A A . 10 CYS HB3 1 1 2 420 1 1 10 CYS N N 0.844 -4.478 3.921 1.00 . A A . 10 CYS N 1 1 2 421 1 1 10 CYS O O -1.524 -4.114 5.151 1.00 . A A . 10 CYS O 1 1 2 422 1 1 10 CYS SG S 1.357 -1.908 1.559 1.00 . A A . 10 CYS SG 1 1 2 423 1 1 11 TRP C C -3.980 -2.814 4.907 1.00 . A A . 11 TRP C 1 1 2 424 1 1 11 TRP CA C -2.967 -1.755 5.324 1.00 . A A . 11 TRP CA 1 1 2 425 1 1 11 TRP CB C -3.531 -0.358 5.053 1.00 . A A . 11 TRP CB 1 1 2 426 1 1 11 TRP CD1 C -2.768 0.553 7.324 1.00 . A A . 11 TRP CD1 1 1 2 427 1 1 11 TRP CD2 C -4.731 1.368 6.618 1.00 . A A . 11 TRP CD2 1 1 2 428 1 1 11 TRP CE2 C -4.428 1.944 7.866 1.00 . A A . 11 TRP CE2 1 1 2 429 1 1 11 TRP CE3 C -5.918 1.733 5.977 1.00 . A A . 11 TRP CE3 1 1 2 430 1 1 11 TRP CG C -3.655 0.482 6.288 1.00 . A A . 11 TRP CG 1 1 2 431 1 1 11 TRP CH2 C -6.428 3.201 7.837 1.00 . A A . 11 TRP CH2 1 1 2 432 1 1 11 TRP CZ2 C -5.272 2.862 8.486 1.00 . A A . 11 TRP CZ2 1 1 2 433 1 1 11 TRP CZ3 C -6.753 2.644 6.594 1.00 . A A . 11 TRP CZ3 1 1 2 434 1 1 11 TRP H H -1.303 -1.172 4.152 1.00 . A A . 11 TRP H 1 1 2 435 1 1 11 TRP HA H -2.773 -1.855 6.381 1.00 . A A . 11 TRP HA 1 1 2 436 1 1 11 TRP HB3 H -4.513 -0.453 4.614 1.00 . A A . 11 TRP HB3 1 1 2 437 1 1 11 TRP HD1 H -1.846 -0.006 7.374 1.00 . A A . 11 TRP HD1 1 1 2 438 1 1 11 TRP HE1 H -2.767 1.652 9.114 1.00 . A A . 11 TRP HE1 1 1 2 439 1 1 11 TRP HE3 H -6.186 1.315 5.019 1.00 . A A . 11 TRP HE3 1 1 2 440 1 1 11 TRP HH2 H -7.111 3.909 8.281 1.00 . A A . 11 TRP HH2 1 1 2 441 1 1 11 TRP HZ2 H -5.034 3.301 9.444 1.00 . A A . 11 TRP HZ2 1 1 2 442 1 1 11 TRP HZ3 H -7.677 2.937 6.114 1.00 . A A . 11 TRP HZ3 1 1 2 443 1 1 11 TRP N N -1.704 -1.935 4.618 1.00 . A A . 11 TRP N 1 1 2 444 1 1 11 TRP NE1 N -3.227 1.430 8.277 1.00 . A A . 11 TRP NE1 1 1 2 445 1 1 11 TRP O O -3.799 -3.549 3.920 1.00 . A A . 11 TRP O 1 1 2 446 1 1 12 HYP C C -6.928 -3.589 4.141 1.00 . A A . 12 HYP C 1 1 2 447 1 1 12 HYP CA C -6.149 -3.887 5.411 1.00 . A A . 12 HYP CA 1 1 2 448 1 1 12 HYP CB C -7.058 -3.761 6.647 1.00 . A A . 12 HYP CB 1 1 2 449 1 1 12 HYP CD C -5.388 -2.097 6.842 1.00 . A A . 12 HYP CD 1 1 2 450 1 1 12 HYP CG C -6.229 -3.035 7.642 1.00 . A A . 12 HYP CG 1 1 2 451 1 1 12 HYP HA H -5.753 -4.892 5.358 1.00 . A A . 12 HYP HA 1 1 2 452 1 1 12 HYP HB2 H -7.327 -4.745 7.003 1.00 . A A . 12 HYP HB2 1 1 2 453 1 1 12 HYP HB3 H -7.949 -3.204 6.393 1.00 . A A . 12 HYP HB3 1 1 2 454 1 1 12 HYP HD1 H -5.276 -4.862 7.743 1.00 . A A . 12 HYP HD1 1 1 2 455 1 1 12 HYP HD22 H -6.271 -1.292 6.756 1.00 . A A . 12 HYP HD22 1 1 2 456 1 1 12 HYP HD23 H -4.765 -1.807 7.552 1.00 . A A . 12 HYP HD23 1 1 2 457 1 1 12 HYP HG H -7.056 -2.797 8.422 1.00 . A A . 12 HYP HG 1 1 2 458 1 1 12 HYP N N -5.084 -2.912 5.667 1.00 . A A . 12 HYP N 1 1 2 459 1 1 12 HYP O O -7.594 -2.562 4.021 1.00 . A A . 12 HYP O 1 1 2 460 1 1 12 HYP OD1 O -5.437 -4.104 8.325 1.00 . A A . 12 HYP OD1 1 1 2 461 1 1 13 GLY C C -6.671 -3.645 0.877 1.00 . A A . 13 GLY C 1 1 2 462 1 1 13 GLY CA C -7.527 -4.335 1.920 1.00 . A A . 13 GLY CA 1 1 2 463 1 1 13 GLY H H -6.287 -5.306 3.335 1.00 . A A . 13 GLY H 1 1 2 464 1 1 13 GLY HA2 H -7.819 -5.305 1.548 1.00 . A A . 13 GLY HA2 1 1 2 465 1 1 13 GLY HA3 H -8.415 -3.743 2.089 1.00 . A A . 13 GLY HA3 1 1 2 466 1 1 13 GLY N N -6.833 -4.506 3.183 1.00 . A A . 13 GLY N 1 1 2 467 1 1 13 GLY O O -7.173 -3.203 -0.157 1.00 . A A . 13 GLY O 1 1 2 468 1 1 14 CYS C C -3.300 -3.847 -0.137 1.00 . A A . 14 CYS C 1 1 2 469 1 1 14 CYS CA C -4.445 -2.906 0.226 1.00 . A A . 14 CYS CA 1 1 2 470 1 1 14 CYS CB C -3.888 -1.622 0.844 1.00 . A A . 14 CYS CB 1 1 2 471 1 1 14 CYS H H -5.032 -3.920 1.990 1.00 . A A . 14 CYS H 1 1 2 472 1 1 14 CYS HA H -4.988 -2.657 -0.672 1.00 . A A . 14 CYS HA 1 1 2 473 1 1 14 CYS HB3 H -2.992 -1.335 0.313 1.00 . A A . 14 CYS HB3 1 1 2 474 1 1 14 CYS N N -5.374 -3.549 1.148 1.00 . A A . 14 CYS N 1 1 2 475 1 1 14 CYS O O -3.281 -5.007 0.275 1.00 . A A . 14 CYS O 1 1 2 476 1 1 14 CYS SG S -5.040 -0.211 0.790 1.00 . A A . 14 CYS SG 1 1 2 477 1 1 15 SER C C 0.076 -3.294 -1.328 1.00 . A A . 15 SER C 1 1 2 478 1 1 15 SER CA C -1.197 -4.134 -1.331 1.00 . A A . 15 SER CA 1 1 2 479 1 1 15 SER CB C -1.437 -4.713 -2.726 1.00 . A A . 15 SER CB 1 1 2 480 1 1 15 SER H H -2.416 -2.405 -1.205 1.00 . A A . 15 SER H 1 1 2 481 1 1 15 SER HA H -1.081 -4.946 -0.629 1.00 . A A . 15 SER HA 1 1 2 482 1 1 15 SER HB3 H -0.901 -5.645 -2.823 1.00 . A A . 15 SER HB3 1 1 2 483 1 1 15 SER HG H -2.919 -5.707 -3.536 1.00 . A A . 15 SER HG 1 1 2 484 1 1 15 SER N N -2.345 -3.337 -0.909 1.00 . A A . 15 SER N 1 1 2 485 1 1 15 SER O O 0.024 -2.065 -1.254 1.00 . A A . 15 SER O 1 1 2 486 1 1 15 SER OG O -2.816 -4.954 -2.949 1.00 . A A . 15 SER OG 1 1 2 487 1 1 16 CYS C C 3.055 -3.167 -2.834 1.00 . A A . 16 CYS C 1 1 2 488 1 1 16 CYS CA C 2.508 -3.283 -1.414 1.00 . A A . 16 CYS CA 1 1 2 489 1 1 16 CYS CB C 3.509 -4.031 -0.530 1.00 . A A . 16 CYS CB 1 1 2 490 1 1 16 CYS H H 1.197 -4.944 -1.466 1.00 . A A . 16 CYS H 1 1 2 491 1 1 16 CYS HA H 2.361 -2.291 -1.017 1.00 . A A . 16 CYS HA 1 1 2 492 1 1 16 CYS HB3 H 3.645 -5.029 -0.919 1.00 . A A . 16 CYS HB3 1 1 2 493 1 1 16 CYS N N 1.220 -3.965 -1.409 1.00 . A A . 16 CYS N 1 1 2 494 1 1 16 CYS O O 2.894 -4.076 -3.650 1.00 . A A . 16 CYS O 1 1 2 495 1 1 16 CYS SG S 5.149 -3.244 -0.434 1.00 . A A . 16 CYS SG 1 1 2 496 1 1 17 TYR C C 5.342 -0.721 -4.390 1.00 . A A . 17 TYR C 1 1 2 497 1 1 17 TYR CA C 4.272 -1.807 -4.444 1.00 . A A . 17 TYR CA 1 1 2 498 1 1 17 TYR CB C 3.174 -1.408 -5.432 1.00 . A A . 17 TYR CB 1 1 2 499 1 1 17 TYR CD1 C 4.117 -2.269 -7.610 1.00 . A A . 17 TYR CD1 1 1 2 500 1 1 17 TYR CD2 C 3.708 0.071 -7.409 1.00 . A A . 17 TYR CD2 1 1 2 501 1 1 17 TYR CE1 C 4.576 -2.082 -8.900 1.00 . A A . 17 TYR CE1 1 1 2 502 1 1 17 TYR CE2 C 4.165 0.267 -8.698 1.00 . A A . 17 TYR CE2 1 1 2 503 1 1 17 TYR CG C 3.676 -1.198 -6.843 1.00 . A A . 17 TYR CG 1 1 2 504 1 1 17 TYR CZ C 4.598 -0.812 -9.438 1.00 . A A . 17 TYR CZ 1 1 2 505 1 1 17 TYR H H 3.799 -1.356 -2.432 1.00 . A A . 17 TYR H 1 1 2 506 1 1 17 TYR HA H 4.726 -2.729 -4.780 1.00 . A A . 17 TYR HA 1 1 2 507 1 1 17 TYR HB3 H 2.720 -0.485 -5.101 1.00 . A A . 17 TYR HB3 1 1 2 508 1 1 17 TYR HD1 H 4.098 -3.263 -7.185 1.00 . A A . 17 TYR HD1 1 1 2 509 1 1 17 TYR HD2 H 3.368 0.914 -6.825 1.00 . A A . 17 TYR HD2 1 1 2 510 1 1 17 TYR HE1 H 4.915 -2.927 -9.481 1.00 . A A . 17 TYR HE1 1 1 2 511 1 1 17 TYR HE2 H 4.182 1.261 -9.119 1.00 . A A . 17 TYR HE2 1 1 2 512 1 1 17 TYR HH H 4.429 -1.004 -11.344 1.00 . A A . 17 TYR HH 1 1 2 513 1 1 17 TYR N N 3.703 -2.044 -3.123 1.00 . A A . 17 TYR N 1 1 2 514 1 1 17 TYR O O 5.106 0.374 -3.882 1.00 . A A . 17 TYR O 1 1 2 515 1 1 17 TYR OH O 5.054 -0.622 -10.724 1.00 . A A . 17 TYR OH 1 1 2 516 1 1 18 ALA C C 7.893 0.470 -3.539 1.00 . A A . 18 ALA C 1 1 2 517 1 1 18 ALA CA C 7.628 -0.086 -4.933 1.00 . A A . 18 ALA CA 1 1 2 518 1 1 18 ALA CB C 7.339 1.046 -5.910 1.00 . A A . 18 ALA CB 1 1 2 519 1 1 18 ALA H H 6.648 -1.924 -5.311 1.00 . A A . 18 ALA H 1 1 2 520 1 1 18 ALA HA H 8.510 -0.608 -5.276 1.00 . A A . 18 ALA HA 1 1 2 521 1 1 18 ALA HB1 H 7.997 1.877 -5.699 1.00 . A A . 18 ALA HB1 1 1 2 522 1 1 18 ALA HB2 H 7.506 0.701 -6.919 1.00 . A A . 18 ALA HB2 1 1 2 523 1 1 18 ALA HB3 H 6.314 1.362 -5.801 1.00 . A A . 18 ALA HB3 1 1 2 524 1 1 18 ALA N N 6.521 -1.034 -4.919 1.00 . A A . 18 ALA N 1 1 2 525 1 1 18 ALA O O 7.969 1.684 -3.348 1.00 . A A . 18 ALA O 1 1 2 526 1 1 19 ARG C C 7.173 0.883 -0.673 1.00 . A A . 19 ARG C 1 1 2 527 1 1 19 ARG CA C 8.287 -0.023 -1.189 1.00 . A A . 19 ARG CA 1 1 2 528 1 1 19 ARG CB C 9.634 0.695 -1.086 1.00 . A A . 19 ARG CB 1 1 2 529 1 1 19 ARG CD C 11.090 -0.271 0.719 1.00 . A A . 19 ARG CD 1 1 2 530 1 1 19 ARG CG C 10.796 -0.232 -0.772 1.00 . A A . 19 ARG CG 1 1 2 531 1 1 19 ARG CZ C 12.928 0.349 2.230 1.00 . A A . 19 ARG CZ 1 1 2 532 1 1 19 ARG H H 7.960 -1.379 -2.781 1.00 . A A . 19 ARG H 1 1 2 533 1 1 19 ARG HA H 8.318 -0.917 -0.583 1.00 . A A . 19 ARG HA 1 1 2 534 1 1 19 ARG HB3 H 9.573 1.437 -0.305 1.00 . A A . 19 ARG HB3 1 1 2 535 1 1 19 ARG HD3 H 11.192 -1.302 1.025 1.00 . A A . 19 ARG HD3 1 1 2 536 1 1 19 ARG HE H 12.706 1.027 0.368 1.00 . A A . 19 ARG HE 1 1 2 537 1 1 19 ARG HG3 H 11.674 0.118 -1.295 1.00 . A A . 19 ARG HG3 1 1 2 538 1 1 19 ARG HH11 H 11.588 -0.947 3.008 1.00 . A A . 19 ARG HH11 1 1 2 539 1 1 19 ARG HH12 H 12.888 -0.502 4.063 1.00 . A A . 19 ARG HH12 1 1 2 540 1 1 19 ARG HH21 H 14.423 1.621 1.747 1.00 . A A . 19 ARG HH21 1 1 2 541 1 1 19 ARG HH22 H 14.500 0.959 3.345 1.00 . A A . 19 ARG HH22 1 1 2 542 1 1 19 ARG N N 8.032 -0.425 -2.567 1.00 . A A . 19 ARG N 1 1 2 543 1 1 19 ARG NE N 12.318 0.445 1.055 1.00 . A A . 19 ARG NE 1 1 2 544 1 1 19 ARG NH1 N 12.427 -0.430 3.178 1.00 . A A . 19 ARG NH1 1 1 2 545 1 1 19 ARG NH2 N 14.042 1.033 2.460 1.00 . A A . 19 ARG NH2 1 1 2 546 1 1 19 ARG O O 7.356 1.618 0.299 1.00 . A A . 19 ARG O 1 1 2 547 1 1 20 THR C C 3.603 0.808 -0.864 1.00 . A A . 20 THR C 1 1 2 548 1 1 20 THR CA C 4.877 1.643 -0.937 1.00 . A A . 20 THR CA 1 1 2 549 1 1 20 THR CB C 4.656 2.810 -1.920 1.00 . A A . 20 THR CB 1 1 2 550 1 1 20 THR CG2 C 4.334 4.093 -1.171 1.00 . A A . 20 THR CG2 1 1 2 551 1 1 20 THR H H 5.935 0.222 -2.095 1.00 . A A . 20 THR H 1 1 2 552 1 1 20 THR HA H 5.081 2.056 0.039 1.00 . A A . 20 THR HA 1 1 2 553 1 1 20 THR HB H 3.823 2.566 -2.563 1.00 . A A . 20 THR HB 1 1 2 554 1 1 20 THR HG1 H 5.565 3.231 -3.619 1.00 . A A . 20 THR HG1 1 1 2 555 1 1 20 THR HG21 H 4.201 3.874 -0.123 1.00 . A A . 20 THR HG21 1 1 2 556 1 1 20 THR HG22 H 3.426 4.523 -1.568 1.00 . A A . 20 THR HG22 1 1 2 557 1 1 20 THR HG23 H 5.146 4.794 -1.293 1.00 . A A . 20 THR HG23 1 1 2 558 1 1 20 THR N N 6.019 0.826 -1.328 1.00 . A A . 20 THR N 1 1 2 559 1 1 20 THR O O 3.649 -0.421 -0.935 1.00 . A A . 20 THR O 1 1 2 560 1 1 20 THR OG1 O 5.827 3.000 -2.723 1.00 . A A . 20 THR OG1 1 1 2 561 1 1 21 CYS C C 0.230 1.301 -1.728 1.00 . A A . 21 CYS C 1 1 2 562 1 1 21 CYS CA C 1.179 0.802 -0.642 1.00 . A A . 21 CYS CA 1 1 2 563 1 1 21 CYS CB C 0.552 1.018 0.737 1.00 . A A . 21 CYS CB 1 1 2 564 1 1 21 CYS H H 2.493 2.461 -0.674 1.00 . A A . 21 CYS H 1 1 2 565 1 1 21 CYS HA H 1.351 -0.253 -0.789 1.00 . A A . 21 CYS HA 1 1 2 566 1 1 21 CYS HB3 H -0.497 0.770 0.689 1.00 . A A . 21 CYS HB3 1 1 2 567 1 1 21 CYS N N 2.467 1.482 -0.725 1.00 . A A . 21 CYS N 1 1 2 568 1 1 21 CYS O O 0.549 2.235 -2.465 1.00 . A A . 21 CYS O 1 1 2 569 1 1 21 CYS SG S 1.301 0.013 2.059 1.00 . A A . 21 CYS SG 1 1 2 570 1 1 22 PHE C C -3.316 0.544 -2.423 1.00 . A A . 22 PHE C 1 1 2 571 1 1 22 PHE CA C -1.932 1.051 -2.818 1.00 . A A . 22 PHE CA 1 1 2 572 1 1 22 PHE CB C -1.546 0.498 -4.191 1.00 . A A . 22 PHE CB 1 1 2 573 1 1 22 PHE CD1 C -1.097 2.570 -5.534 1.00 . A A . 22 PHE CD1 1 1 2 574 1 1 22 PHE CD2 C -2.922 1.176 -6.178 1.00 . A A . 22 PHE CD2 1 1 2 575 1 1 22 PHE CE1 C -1.386 3.432 -6.574 1.00 . A A . 22 PHE CE1 1 1 2 576 1 1 22 PHE CE2 C -3.215 2.035 -7.220 1.00 . A A . 22 PHE CE2 1 1 2 577 1 1 22 PHE CG C -1.861 1.434 -5.323 1.00 . A A . 22 PHE CG 1 1 2 578 1 1 22 PHE CZ C -2.445 3.164 -7.420 1.00 . A A . 22 PHE CZ 1 1 2 579 1 1 22 PHE H H -1.132 -0.065 -1.206 1.00 . A A . 22 PHE H 1 1 2 580 1 1 22 PHE HA H -1.957 2.128 -2.866 1.00 . A A . 22 PHE HA 1 1 2 581 1 1 22 PHE HB3 H -2.079 -0.425 -4.363 1.00 . A A . 22 PHE HB3 1 1 2 582 1 1 22 PHE HD1 H -0.267 2.781 -4.875 1.00 . A A . 22 PHE HD1 1 1 2 583 1 1 22 PHE HD2 H -3.524 0.291 -6.022 1.00 . A A . 22 PHE HD2 1 1 2 584 1 1 22 PHE HE1 H -0.783 4.315 -6.729 1.00 . A A . 22 PHE HE1 1 1 2 585 1 1 22 PHE HE2 H -4.044 1.821 -7.878 1.00 . A A . 22 PHE HE2 1 1 2 586 1 1 22 PHE HZ H -2.674 3.836 -8.233 1.00 . A A . 22 PHE HZ 1 1 2 587 1 1 22 PHE N N -0.936 0.672 -1.821 1.00 . A A . 22 PHE N 1 1 2 588 1 1 22 PHE O O -3.452 -0.537 -1.850 1.00 . A A . 22 PHE O 1 1 2 589 1 1 23 ARG C C -6.553 0.835 -3.680 1.00 . A A . 23 ARG C 1 1 2 590 1 1 23 ARG CA C -5.713 0.965 -2.412 1.00 . A A . 23 ARG CA 1 1 2 591 1 1 23 ARG CB C -6.335 2.005 -1.479 1.00 . A A . 23 ARG CB 1 1 2 592 1 1 23 ARG CD C -7.920 3.910 -1.898 1.00 . A A . 23 ARG CD 1 1 2 593 1 1 23 ARG CG C -6.516 3.370 -2.122 1.00 . A A . 23 ARG CG 1 1 2 594 1 1 23 ARG CZ C -9.868 4.462 -3.293 1.00 . A A . 23 ARG CZ 1 1 2 595 1 1 23 ARG H H -4.166 2.182 -3.192 1.00 . A A . 23 ARG H 1 1 2 596 1 1 23 ARG HA H -5.691 0.009 -1.909 1.00 . A A . 23 ARG HA 1 1 2 597 1 1 23 ARG HB3 H -5.701 2.120 -0.613 1.00 . A A . 23 ARG HB3 1 1 2 598 1 1 23 ARG HD3 H -7.851 4.957 -1.646 1.00 . A A . 23 ARG HD3 1 1 2 599 1 1 23 ARG HE H -8.481 3.105 -3.757 1.00 . A A . 23 ARG HE 1 1 2 600 1 1 23 ARG HG3 H -6.338 3.284 -3.183 1.00 . A A . 23 ARG HG3 1 1 2 601 1 1 23 ARG HH11 H -9.734 5.504 -1.567 1.00 . A A . 23 ARG HH11 1 1 2 602 1 1 23 ARG HH12 H -11.103 5.884 -2.559 1.00 . A A . 23 ARG HH12 1 1 2 603 1 1 23 ARG HH21 H -10.279 3.596 -5.072 1.00 . A A . 23 ARG HH21 1 1 2 604 1 1 23 ARG HH22 H -11.413 4.798 -4.552 1.00 . A A . 23 ARG HH22 1 1 2 605 1 1 23 ARG N N -4.339 1.331 -2.735 1.00 . A A . 23 ARG N 1 1 2 606 1 1 23 ARG NE N -8.759 3.761 -3.084 1.00 . A A . 23 ARG NE 1 1 2 607 1 1 23 ARG NH1 N -10.269 5.357 -2.399 1.00 . A A . 23 ARG NH1 1 1 2 608 1 1 23 ARG NH2 N -10.578 4.270 -4.397 1.00 . A A . 23 ARG NH2 1 1 2 609 1 1 23 ARG O O -7.752 1.112 -3.671 1.00 . A A . 23 ARG O 1 1 2 610 1 1 24 ASP C C -7.065 1.592 -6.589 1.00 . A A . 24 ASP C 1 1 2 611 1 1 24 ASP CA C -6.603 0.246 -6.040 1.00 . A A . 24 ASP CA 1 1 2 612 1 1 24 ASP CB C -7.801 -0.691 -5.878 1.00 . A A . 24 ASP CB 1 1 2 613 1 1 24 ASP CG C -7.576 -2.039 -6.535 1.00 . A A . 24 ASP CG 1 1 2 614 1 1 24 ASP H H -4.958 0.208 -4.708 1.00 . A A . 24 ASP H 1 1 2 615 1 1 24 ASP HA H -5.906 -0.194 -6.738 1.00 . A A . 24 ASP HA 1 1 2 616 1 1 24 ASP HB3 H -8.671 -0.233 -6.326 1.00 . A A . 24 ASP HB3 1 1 2 617 1 1 24 ASP N N -5.914 0.413 -4.765 1.00 . A A . 24 ASP N 1 1 2 618 1 1 24 ASP O O -7.656 2.396 -5.872 1.00 . A A . 24 ASP O 1 1 2 619 1 1 24 ASP OD1 O -6.830 -2.861 -5.962 1.00 . A A . 24 ASP OD1 1 1 2 620 1 1 24 ASP OD2 O -8.146 -2.271 -7.620 1.00 . A A . 24 ASP OD2 1 1 2 621 1 1 25 GLY C C -6.151 4.177 -8.290 1.00 . A A . 25 GLY C 1 1 2 622 1 1 25 GLY CA C -7.179 3.081 -8.491 1.00 . A A . 25 GLY CA 1 1 2 623 1 1 25 GLY H H -6.311 1.153 -8.391 1.00 . A A . 25 GLY H 1 1 2 624 1 1 25 GLY HA2 H -7.313 2.916 -9.549 1.00 . A A . 25 GLY HA2 1 1 2 625 1 1 25 GLY HA3 H -8.118 3.403 -8.065 1.00 . A A . 25 GLY HA3 1 1 2 626 1 1 25 GLY N N -6.787 1.830 -7.868 1.00 . A A . 25 GLY N 1 1 2 627 1 1 25 GLY O O -5.730 4.826 -9.248 1.00 . A A . 25 GLY O 1 1 2 628 1 1 26 LEU C C -4.130 5.148 -5.355 1.00 . A A . 26 LEU C 1 1 2 629 1 1 26 LEU CA C -4.762 5.412 -6.717 1.00 . A A . 26 LEU CA 1 1 2 630 1 1 26 LEU CB C -5.415 6.795 -6.730 1.00 . A A . 26 LEU CB 1 1 2 631 1 1 26 LEU CD1 C -7.081 8.058 -5.346 1.00 . A A . 26 LEU CD1 1 1 2 632 1 1 26 LEU CD2 C -7.817 6.906 -7.441 1.00 . A A . 26 LEU CD2 1 1 2 633 1 1 26 LEU CG C -6.866 6.855 -6.253 1.00 . A A . 26 LEU CG 1 1 2 634 1 1 26 LEU H H -6.118 3.835 -6.320 1.00 . A A . 26 LEU H 1 1 2 635 1 1 26 LEU HA H -3.990 5.379 -7.472 1.00 . A A . 26 LEU HA 1 1 2 636 1 1 26 LEU HB3 H -5.384 7.164 -7.745 1.00 . A A . 26 LEU HB3 1 1 2 637 1 1 26 LEU HD11 H -8.136 8.262 -5.263 1.00 . A A . 26 LEU HD11 1 1 2 638 1 1 26 LEU HD12 H -6.580 8.918 -5.765 1.00 . A A . 26 LEU HD12 1 1 2 639 1 1 26 LEU HD13 H -6.675 7.847 -4.367 1.00 . A A . 26 LEU HD13 1 1 2 640 1 1 26 LEU HD21 H -8.725 7.415 -7.154 1.00 . A A . 26 LEU HD21 1 1 2 641 1 1 26 LEU HD22 H -8.051 5.900 -7.757 1.00 . A A . 26 LEU HD22 1 1 2 642 1 1 26 LEU HD23 H -7.346 7.438 -8.256 1.00 . A A . 26 LEU HD23 1 1 2 643 1 1 26 LEU HG H -7.090 5.964 -5.683 1.00 . A A . 26 LEU HG 1 1 2 644 1 1 26 LEU N N -5.747 4.386 -7.042 1.00 . A A . 26 LEU N 1 1 2 645 1 1 26 LEU O O -4.680 4.435 -4.514 1.00 . A A . 26 LEU O 1 1 2 646 1 1 27 PRO C C -2.901 6.294 -2.707 1.00 . A A . 27 PRO C 1 1 2 647 1 1 27 PRO CA C -2.214 5.583 -3.866 1.00 . A A . 27 PRO CA 1 1 2 648 1 1 27 PRO CB C -0.858 6.228 -4.163 1.00 . A A . 27 PRO CB 1 1 2 649 1 1 27 PRO CD C -2.232 6.599 -6.084 1.00 . A A . 27 PRO CD 1 1 2 650 1 1 27 PRO CG C -1.134 7.204 -5.254 1.00 . A A . 27 PRO CG 1 1 2 651 1 1 27 PRO HA H -2.072 4.542 -3.615 1.00 . A A . 27 PRO HA 1 1 2 652 1 1 27 PRO HB3 H -0.156 5.471 -4.478 1.00 . A A . 27 PRO HB3 1 1 2 653 1 1 27 PRO HD3 H -1.815 6.015 -6.891 1.00 . A A . 27 PRO HD3 1 1 2 654 1 1 27 PRO HG3 H -0.246 7.344 -5.853 1.00 . A A . 27 PRO HG3 1 1 2 655 1 1 27 PRO N N -2.946 5.737 -5.128 1.00 . A A . 27 PRO N 1 1 2 656 1 1 27 PRO O O -3.238 7.474 -2.802 1.00 . A A . 27 PRO O 1 1 3 657 1 1 1 SER C C -4.551 5.015 0.264 1.00 . A A . 1 SER C 1 1 3 658 1 1 1 SER CA C -4.426 6.166 -0.729 1.00 . A A . 1 SER CA 1 1 3 659 1 1 1 SER CB C -5.804 6.772 -1.001 1.00 . A A . 1 SER CB 1 1 3 660 1 1 1 SER H1 H -4.383 5.315 -2.667 1.00 . A A . 1 SER H1 1 1 3 661 1 1 1 SER HA H -3.786 6.925 -0.303 1.00 . A A . 1 SER HA 1 1 3 662 1 1 1 SER HB3 H -5.699 7.831 -1.186 1.00 . A A . 1 SER HB3 1 1 3 663 1 1 1 SER HG H -6.978 6.809 -2.569 1.00 . A A . 1 SER HG 1 1 3 664 1 1 1 SER N N -3.817 5.714 -1.974 1.00 . A A . 1 SER N 1 1 3 665 1 1 1 SER O O -5.649 4.521 0.526 1.00 . A A . 1 SER O 1 1 3 666 1 1 1 SER OG O -6.413 6.169 -2.130 1.00 . A A . 1 SER OG 1 1 3 667 1 1 2 CYS C C -2.130 3.540 2.624 1.00 . A A . 2 CYS C 1 1 3 668 1 1 2 CYS CA C -3.398 3.496 1.777 1.00 . A A . 2 CYS CA 1 1 3 669 1 1 2 CYS CB C -3.495 2.150 1.054 1.00 . A A . 2 CYS CB 1 1 3 670 1 1 2 CYS H H -2.574 5.023 0.565 1.00 . A A . 2 CYS H 1 1 3 671 1 1 2 CYS HA H -4.254 3.608 2.425 1.00 . A A . 2 CYS HA 1 1 3 672 1 1 2 CYS HB3 H -2.505 1.726 0.965 1.00 . A A . 2 CYS HB3 1 1 3 673 1 1 2 CYS N N -3.418 4.589 0.814 1.00 . A A . 2 CYS N 1 1 3 674 1 1 2 CYS O O -1.070 3.950 2.153 1.00 . A A . 2 CYS O 1 1 3 675 1 1 2 CYS SG S -4.549 0.928 1.898 1.00 . A A . 2 CYS SG 1 1 3 676 1 1 3 GLY C C -0.601 1.716 5.069 1.00 . A A . 3 GLY C 1 1 3 677 1 1 3 GLY CA C -1.104 3.115 4.772 1.00 . A A . 3 GLY CA 1 1 3 678 1 1 3 GLY H H -3.118 2.800 4.200 1.00 . A A . 3 GLY H 1 1 3 679 1 1 3 GLY HA2 H -0.307 3.684 4.319 1.00 . A A . 3 GLY HA2 1 1 3 680 1 1 3 GLY HA3 H -1.388 3.586 5.701 1.00 . A A . 3 GLY HA3 1 1 3 681 1 1 3 GLY N N -2.247 3.115 3.879 1.00 . A A . 3 GLY N 1 1 3 682 1 1 3 GLY O O -0.707 0.819 4.232 1.00 . A A . 3 GLY O 1 1 3 683 1 1 4 GLY C C 1.891 0.006 6.179 1.00 . A A . 4 GLY C 1 1 3 684 1 1 4 GLY CA C 0.466 0.226 6.647 1.00 . A A . 4 GLY CA 1 1 3 685 1 1 4 GLY H H 0.009 2.279 6.891 1.00 . A A . 4 GLY H 1 1 3 686 1 1 4 GLY HA2 H 0.434 0.140 7.722 1.00 . A A . 4 GLY HA2 1 1 3 687 1 1 4 GLY HA3 H -0.164 -0.539 6.216 1.00 . A A . 4 GLY HA3 1 1 3 688 1 1 4 GLY N N -0.050 1.528 6.263 1.00 . A A . 4 GLY N 1 1 3 689 1 1 4 GLY O O 2.339 0.629 5.216 1.00 . A A . 4 GLY O 1 1 3 690 1 1 5 SER C C 4.067 -2.343 5.531 1.00 . A A . 5 SER C 1 1 3 691 1 1 5 SER CA C 3.991 -1.178 6.514 1.00 . A A . 5 SER CA 1 1 3 692 1 1 5 SER CB C 4.796 -1.506 7.773 1.00 . A A . 5 SER CB 1 1 3 693 1 1 5 SER H H 2.193 -1.347 7.620 1.00 . A A . 5 SER H 1 1 3 694 1 1 5 SER HA H 4.411 -0.301 6.047 1.00 . A A . 5 SER HA 1 1 3 695 1 1 5 SER HB3 H 5.458 -0.682 7.998 1.00 . A A . 5 SER HB3 1 1 3 696 1 1 5 SER HG H 4.470 -1.823 9.679 1.00 . A A . 5 SER HG 1 1 3 697 1 1 5 SER N N 2.606 -0.882 6.862 1.00 . A A . 5 SER N 1 1 3 698 1 1 5 SER O O 3.164 -3.178 5.469 1.00 . A A . 5 SER O 1 1 3 699 1 1 5 SER OG O 3.942 -1.721 8.883 1.00 . A A . 5 SER OG 1 1 3 700 1 1 6 CYS C C 6.076 -4.639 4.404 1.00 . A A . 6 CYS C 1 1 3 701 1 1 6 CYS CA C 5.347 -3.451 3.783 1.00 . A A . 6 CYS CA 1 1 3 702 1 1 6 CYS CB C 6.136 -2.924 2.582 1.00 . A A . 6 CYS CB 1 1 3 703 1 1 6 CYS H H 5.836 -1.696 4.860 1.00 . A A . 6 CYS H 1 1 3 704 1 1 6 CYS HA H 4.374 -3.778 3.448 1.00 . A A . 6 CYS HA 1 1 3 705 1 1 6 CYS HB3 H 6.699 -3.737 2.147 1.00 . A A . 6 CYS HB3 1 1 3 706 1 1 6 CYS N N 5.151 -2.391 4.764 1.00 . A A . 6 CYS N 1 1 3 707 1 1 6 CYS O O 5.999 -5.761 3.902 1.00 . A A . 6 CYS O 1 1 3 708 1 1 6 CYS SG S 5.099 -2.201 1.271 1.00 . A A . 6 CYS SG 1 1 3 709 1 1 7 PHE C C 6.589 -6.348 6.964 1.00 . A A . 7 PHE C 1 1 3 710 1 1 7 PHE CA C 7.531 -5.431 6.188 1.00 . A A . 7 PHE CA 1 1 3 711 1 1 7 PHE CB C 8.558 -4.814 7.139 1.00 . A A . 7 PHE CB 1 1 3 712 1 1 7 PHE CD1 C 10.337 -6.523 6.684 1.00 . A A . 7 PHE CD1 1 1 3 713 1 1 7 PHE CD2 C 9.864 -5.957 8.951 1.00 . A A . 7 PHE CD2 1 1 3 714 1 1 7 PHE CE1 C 11.302 -7.418 7.106 1.00 . A A . 7 PHE CE1 1 1 3 715 1 1 7 PHE CE2 C 10.828 -6.850 9.379 1.00 . A A . 7 PHE CE2 1 1 3 716 1 1 7 PHE CG C 9.607 -5.785 7.601 1.00 . A A . 7 PHE CG 1 1 3 717 1 1 7 PHE CZ C 11.550 -7.580 8.455 1.00 . A A . 7 PHE CZ 1 1 3 718 1 1 7 PHE H H 6.810 -3.469 5.851 1.00 . A A . 7 PHE H 1 1 3 719 1 1 7 PHE HA H 8.048 -6.014 5.443 1.00 . A A . 7 PHE HA 1 1 3 720 1 1 7 PHE HB3 H 8.047 -4.435 8.012 1.00 . A A . 7 PHE HB3 1 1 3 721 1 1 7 PHE HD1 H 10.145 -6.396 5.628 1.00 . A A . 7 PHE HD1 1 1 3 722 1 1 7 PHE HD2 H 9.300 -5.385 9.675 1.00 . A A . 7 PHE HD2 1 1 3 723 1 1 7 PHE HE1 H 11.865 -7.988 6.381 1.00 . A A . 7 PHE HE1 1 1 3 724 1 1 7 PHE HE2 H 11.019 -6.975 10.435 1.00 . A A . 7 PHE HE2 1 1 3 725 1 1 7 PHE HZ H 12.302 -8.279 8.787 1.00 . A A . 7 PHE HZ 1 1 3 726 1 1 7 PHE N N 6.786 -4.385 5.498 1.00 . A A . 7 PHE N 1 1 3 727 1 1 7 PHE O O 6.961 -7.455 7.349 1.00 . A A . 7 PHE O 1 1 3 728 1 1 8 GLY C C 3.036 -6.686 7.236 1.00 . A A . 8 GLY C 1 1 3 729 1 1 8 GLY CA C 4.390 -6.664 7.918 1.00 . A A . 8 GLY CA 1 1 3 730 1 1 8 GLY H H 5.125 -4.986 6.858 1.00 . A A . 8 GLY H 1 1 3 731 1 1 8 GLY HA2 H 4.753 -7.678 8.004 1.00 . A A . 8 GLY HA2 1 1 3 732 1 1 8 GLY HA3 H 4.275 -6.249 8.907 1.00 . A A . 8 GLY HA3 1 1 3 733 1 1 8 GLY N N 5.366 -5.877 7.189 1.00 . A A . 8 GLY N 1 1 3 734 1 1 8 GLY O O 2.013 -6.923 7.877 1.00 . A A . 8 GLY O 1 1 3 735 1 1 9 GLY C C 1.138 -5.061 5.144 1.00 . A A . 9 GLY C 1 1 3 736 1 1 9 GLY CA C 1.785 -6.432 5.182 1.00 . A A . 9 GLY CA 1 1 3 737 1 1 9 GLY H H 3.875 -6.255 5.470 1.00 . A A . 9 GLY H 1 1 3 738 1 1 9 GLY HA2 H 1.984 -6.751 4.171 1.00 . A A . 9 GLY HA2 1 1 3 739 1 1 9 GLY HA3 H 1.100 -7.128 5.641 1.00 . A A . 9 GLY HA3 1 1 3 740 1 1 9 GLY N N 3.029 -6.437 5.930 1.00 . A A . 9 GLY N 1 1 3 741 1 1 9 GLY O O 0.992 -4.406 6.177 1.00 . A A . 9 GLY O 1 1 3 742 1 1 10 CYS C C -1.226 -3.272 4.510 1.00 . A A . 10 CYS C 1 1 3 743 1 1 10 CYS CA C 0.114 -3.323 3.781 1.00 . A A . 10 CYS CA 1 1 3 744 1 1 10 CYS CB C -0.089 -3.021 2.295 1.00 . A A . 10 CYS CB 1 1 3 745 1 1 10 CYS H H 0.892 -5.193 3.164 1.00 . A A . 10 CYS H 1 1 3 746 1 1 10 CYS HA H 0.769 -2.578 4.205 1.00 . A A . 10 CYS HA 1 1 3 747 1 1 10 CYS HB3 H -0.979 -2.422 2.176 1.00 . A A . 10 CYS HB3 1 1 3 748 1 1 10 CYS N N 0.748 -4.625 3.951 1.00 . A A . 10 CYS N 1 1 3 749 1 1 10 CYS O O -1.675 -4.269 5.074 1.00 . A A . 10 CYS O 1 1 3 750 1 1 10 CYS SG S 1.294 -2.120 1.524 1.00 . A A . 10 CYS SG 1 1 3 751 1 1 11 TRP C C -4.136 -2.998 4.717 1.00 . A A . 11 TRP C 1 1 3 752 1 1 11 TRP CA C -3.146 -1.922 5.150 1.00 . A A . 11 TRP CA 1 1 3 753 1 1 11 TRP CB C -3.711 -0.535 4.837 1.00 . A A . 11 TRP CB 1 1 3 754 1 1 11 TRP CD1 C -3.042 0.401 7.127 1.00 . A A . 11 TRP CD1 1 1 3 755 1 1 11 TRP CD2 C -4.959 1.230 6.318 1.00 . A A . 11 TRP CD2 1 1 3 756 1 1 11 TRP CE2 C -4.708 1.821 7.572 1.00 . A A . 11 TRP CE2 1 1 3 757 1 1 11 TRP CE3 C -6.111 1.598 5.618 1.00 . A A . 11 TRP CE3 1 1 3 758 1 1 11 TRP CG C -3.882 0.325 6.052 1.00 . A A . 11 TRP CG 1 1 3 759 1 1 11 TRP CH2 C -6.687 3.102 7.429 1.00 . A A . 11 TRP CH2 1 1 3 760 1 1 11 TRP CZ2 C -5.566 2.759 8.136 1.00 . A A . 11 TRP CZ2 1 1 3 761 1 1 11 TRP CZ3 C -6.963 2.530 6.180 1.00 . A A . 11 TRP CZ3 1 1 3 762 1 1 11 TRP H H -1.448 -1.346 4.025 1.00 . A A . 11 TRP H 1 1 3 763 1 1 11 TRP HA H -2.987 -2.004 6.216 1.00 . A A . 11 TRP HA 1 1 3 764 1 1 11 TRP HB3 H -4.678 -0.647 4.368 1.00 . A A . 11 TRP HB3 1 1 3 765 1 1 11 TRP HD1 H -2.131 -0.169 7.228 1.00 . A A . 11 TRP HD1 1 1 3 766 1 1 11 TRP HE1 H -3.110 1.528 8.898 1.00 . A A . 11 TRP HE1 1 1 3 767 1 1 11 TRP HE3 H -6.341 1.169 4.654 1.00 . A A . 11 TRP HE3 1 1 3 768 1 1 11 TRP HH2 H -7.380 3.825 7.831 1.00 . A A . 11 TRP HH2 1 1 3 769 1 1 11 TRP HZ2 H -5.367 3.210 9.098 1.00 . A A . 11 TRP HZ2 1 1 3 770 1 1 11 TRP HZ3 H -7.858 2.827 5.655 1.00 . A A . 11 TRP HZ3 1 1 3 771 1 1 11 TRP N N -1.857 -2.104 4.492 1.00 . A A . 11 TRP N 1 1 3 772 1 1 11 TRP NE1 N -3.533 1.298 8.044 1.00 . A A . 11 TRP NE1 1 1 3 773 1 1 11 TRP O O -3.918 -3.741 3.743 1.00 . A A . 11 TRP O 1 1 3 774 1 1 12 HYP C C -7.051 -3.814 3.875 1.00 . A A . 12 HYP C 1 1 3 775 1 1 12 HYP CA C -6.307 -4.089 5.171 1.00 . A A . 12 HYP CA 1 1 3 776 1 1 12 HYP CB C -7.252 -3.960 6.377 1.00 . A A . 12 HYP CB 1 1 3 777 1 1 12 HYP CD C -5.605 -2.275 6.601 1.00 . A A . 12 HYP CD 1 1 3 778 1 1 12 HYP CG C -6.460 -3.213 7.387 1.00 . A A . 12 HYP CG 1 1 3 779 1 1 12 HYP HA H -5.898 -5.090 5.140 1.00 . A A . 12 HYP HA 1 1 3 780 1 1 12 HYP HB2 H -7.520 -4.943 6.736 1.00 . A A . 12 HYP HB2 1 1 3 781 1 1 12 HYP HB3 H -8.141 -3.415 6.091 1.00 . A A . 12 HYP HB3 1 1 3 782 1 1 12 HYP HD1 H -5.489 -5.031 7.535 1.00 . A A . 12 HYP HD1 1 1 3 783 1 1 12 HYP HD22 H -6.507 -1.485 6.487 1.00 . A A . 12 HYP HD22 1 1 3 784 1 1 12 HYP HD23 H -5.018 -1.970 7.333 1.00 . A A . 12 HYP HD23 1 1 3 785 1 1 12 HYP HG H -7.318 -2.987 8.142 1.00 . A A . 12 HYP HG 1 1 3 786 1 1 12 HYP N N -5.260 -3.099 5.444 1.00 . A A . 12 HYP N 1 1 3 787 1 1 12 HYP O O -7.728 -2.798 3.725 1.00 . A A . 12 HYP O 1 1 3 788 1 1 12 HYP OD1 O -5.678 -4.270 8.106 1.00 . A A . 12 HYP OD1 1 1 3 789 1 1 13 GLY C C -6.698 -3.887 0.623 1.00 . A A . 13 GLY C 1 1 3 790 1 1 13 GLY CA C -7.572 -4.588 1.644 1.00 . A A . 13 GLY CA 1 1 3 791 1 1 13 GLY H H -6.361 -5.528 3.103 1.00 . A A . 13 GLY H 1 1 3 792 1 1 13 GLY HA2 H -7.833 -5.565 1.269 1.00 . A A . 13 GLY HA2 1 1 3 793 1 1 13 GLY HA3 H -8.476 -4.012 1.782 1.00 . A A . 13 GLY HA3 1 1 3 794 1 1 13 GLY N N -6.913 -4.738 2.929 1.00 . A A . 13 GLY N 1 1 3 795 1 1 13 GLY O O -7.183 -3.433 -0.414 1.00 . A A . 13 GLY O 1 1 3 796 1 1 14 CYS C C -3.298 -4.075 -0.319 1.00 . A A . 14 CYS C 1 1 3 797 1 1 14 CYS CA C -4.460 -3.145 0.016 1.00 . A A . 14 CYS CA 1 1 3 798 1 1 14 CYS CB C -3.931 -1.855 0.647 1.00 . A A . 14 CYS CB 1 1 3 799 1 1 14 CYS H H -5.077 -4.178 1.757 1.00 . A A . 14 CYS H 1 1 3 800 1 1 14 CYS HA H -4.984 -2.901 -0.896 1.00 . A A . 14 CYS HA 1 1 3 801 1 1 14 CYS HB3 H -3.035 -1.550 0.126 1.00 . A A . 14 CYS HB3 1 1 3 802 1 1 14 CYS N N -5.405 -3.797 0.915 1.00 . A A . 14 CYS N 1 1 3 803 1 1 14 CYS O O -3.279 -5.236 0.092 1.00 . A A . 14 CYS O 1 1 3 804 1 1 14 CYS SG S -5.106 -0.464 0.592 1.00 . A A . 14 CYS SG 1 1 3 805 1 1 15 SER C C 0.104 -3.495 -1.404 1.00 . A A . 15 SER C 1 1 3 806 1 1 15 SER CA C -1.164 -4.340 -1.461 1.00 . A A . 15 SER CA 1 1 3 807 1 1 15 SER CB C -1.354 -4.902 -2.871 1.00 . A A . 15 SER CB 1 1 3 808 1 1 15 SER H H -2.402 -2.625 -1.364 1.00 . A A . 15 SER H 1 1 3 809 1 1 15 SER HA H -1.068 -5.161 -0.765 1.00 . A A . 15 SER HA 1 1 3 810 1 1 15 SER HB3 H -0.794 -5.820 -2.968 1.00 . A A . 15 SER HB3 1 1 3 811 1 1 15 SER HG H -3.124 -4.402 -3.544 1.00 . A A . 15 SER HG 1 1 3 812 1 1 15 SER N N -2.330 -3.556 -1.067 1.00 . A A . 15 SER N 1 1 3 813 1 1 15 SER O O 0.044 -2.268 -1.304 1.00 . A A . 15 SER O 1 1 3 814 1 1 15 SER OG O -2.720 -5.170 -3.134 1.00 . A A . 15 SER OG 1 1 3 815 1 1 16 CYS C C 3.133 -3.339 -2.821 1.00 . A A . 16 CYS C 1 1 3 816 1 1 16 CYS CA C 2.538 -3.470 -1.423 1.00 . A A . 16 CYS CA 1 1 3 817 1 1 16 CYS CB C 3.511 -4.221 -0.511 1.00 . A A . 16 CYS CB 1 1 3 818 1 1 16 CYS H H 1.238 -5.135 -1.546 1.00 . A A . 16 CYS H 1 1 3 819 1 1 16 CYS HA H 2.372 -2.483 -1.021 1.00 . A A . 16 CYS HA 1 1 3 820 1 1 16 CYS HB3 H 3.687 -5.206 -0.918 1.00 . A A . 16 CYS HB3 1 1 3 821 1 1 16 CYS N N 1.253 -4.158 -1.467 1.00 . A A . 16 CYS N 1 1 3 822 1 1 16 CYS O O 3.020 -4.247 -3.644 1.00 . A A . 16 CYS O 1 1 3 823 1 1 16 CYS SG S 5.127 -3.403 -0.315 1.00 . A A . 16 CYS SG 1 1 3 824 1 1 17 TYR C C 5.429 -0.845 -4.286 1.00 . A A . 17 TYR C 1 1 3 825 1 1 17 TYR CA C 4.380 -1.948 -4.382 1.00 . A A . 17 TYR CA 1 1 3 826 1 1 17 TYR CB C 3.311 -1.564 -5.407 1.00 . A A . 17 TYR CB 1 1 3 827 1 1 17 TYR CD1 C 4.767 -2.228 -7.360 1.00 . A A . 17 TYR CD1 1 1 3 828 1 1 17 TYR CD2 C 3.469 -0.237 -7.550 1.00 . A A . 17 TYR CD2 1 1 3 829 1 1 17 TYR CE1 C 5.270 -2.026 -8.630 1.00 . A A . 17 TYR CE1 1 1 3 830 1 1 17 TYR CE2 C 3.966 -0.029 -8.821 1.00 . A A . 17 TYR CE2 1 1 3 831 1 1 17 TYR CG C 3.858 -1.339 -6.798 1.00 . A A . 17 TYR CG 1 1 3 832 1 1 17 TYR CZ C 4.867 -0.926 -9.358 1.00 . A A . 17 TYR CZ 1 1 3 833 1 1 17 TYR H H 3.826 -1.514 -2.386 1.00 . A A . 17 TYR H 1 1 3 834 1 1 17 TYR HA H 4.862 -2.860 -4.705 1.00 . A A . 17 TYR HA 1 1 3 835 1 1 17 TYR HB3 H 2.828 -0.652 -5.087 1.00 . A A . 17 TYR HB3 1 1 3 836 1 1 17 TYR HD1 H 5.081 -3.090 -6.788 1.00 . A A . 17 TYR HD1 1 1 3 837 1 1 17 TYR HD2 H 2.764 0.463 -7.127 1.00 . A A . 17 TYR HD2 1 1 3 838 1 1 17 TYR HE1 H 5.975 -2.729 -9.051 1.00 . A A . 17 TYR HE1 1 1 3 839 1 1 17 TYR HE2 H 3.650 0.833 -9.390 1.00 . A A . 17 TYR HE2 1 1 3 840 1 1 17 TYR HH H 4.818 -0.079 -11.083 1.00 . A A . 17 TYR HH 1 1 3 841 1 1 17 TYR N N 3.768 -2.201 -3.083 1.00 . A A . 17 TYR N 1 1 3 842 1 1 17 TYR O O 5.155 0.244 -3.779 1.00 . A A . 17 TYR O 1 1 3 843 1 1 17 TYR OH O 5.365 -0.721 -10.623 1.00 . A A . 17 TYR OH 1 1 3 844 1 1 18 ALA C C 7.940 0.372 -3.338 1.00 . A A . 18 ALA C 1 1 3 845 1 1 18 ALA CA C 7.719 -0.166 -4.748 1.00 . A A . 18 ALA CA 1 1 3 846 1 1 18 ALA CB C 7.435 0.977 -5.712 1.00 . A A . 18 ALA CB 1 1 3 847 1 1 18 ALA H H 6.785 -2.019 -5.166 1.00 . A A . 18 ALA H 1 1 3 848 1 1 18 ALA HA H 8.619 -0.667 -5.076 1.00 . A A . 18 ALA HA 1 1 3 849 1 1 18 ALA HB1 H 7.347 0.586 -6.716 1.00 . A A . 18 ALA HB1 1 1 3 850 1 1 18 ALA HB2 H 6.513 1.462 -5.432 1.00 . A A . 18 ALA HB2 1 1 3 851 1 1 18 ALA HB3 H 8.244 1.690 -5.673 1.00 . A A . 18 ALA HB3 1 1 3 852 1 1 18 ALA N N 6.629 -1.134 -4.775 1.00 . A A . 18 ALA N 1 1 3 853 1 1 18 ALA O O 8.005 1.583 -3.129 1.00 . A A . 18 ALA O 1 1 3 854 1 1 19 ARG C C 7.133 0.740 -0.488 1.00 . A A . 19 ARG C 1 1 3 855 1 1 19 ARG CA C 8.265 -0.153 -0.984 1.00 . A A . 19 ARG CA 1 1 3 856 1 1 19 ARG CB C 9.605 0.571 -0.831 1.00 . A A . 19 ARG CB 1 1 3 857 1 1 19 ARG CD C 11.603 0.681 0.689 1.00 . A A . 19 ARG CD 1 1 3 858 1 1 19 ARG CG C 10.645 -0.229 -0.063 1.00 . A A . 19 ARG CG 1 1 3 859 1 1 19 ARG CZ C 13.741 0.427 -0.500 1.00 . A A . 19 ARG CZ 1 1 3 860 1 1 19 ARG H H 7.994 -1.487 -2.604 1.00 . A A . 19 ARG H 1 1 3 861 1 1 19 ARG HA H 8.283 -1.054 -0.390 1.00 . A A . 19 ARG HA 1 1 3 862 1 1 19 ARG HB3 H 9.440 1.500 -0.308 1.00 . A A . 19 ARG HB3 1 1 3 863 1 1 19 ARG HD3 H 12.027 0.131 1.515 1.00 . A A . 19 ARG HD3 1 1 3 864 1 1 19 ARG HE H 12.621 2.078 -0.507 1.00 . A A . 19 ARG HE 1 1 3 865 1 1 19 ARG HG3 H 11.206 -0.833 -0.759 1.00 . A A . 19 ARG HG3 1 1 3 866 1 1 19 ARG HH11 H 13.145 -1.202 0.537 1.00 . A A . 19 ARG HH11 1 1 3 867 1 1 19 ARG HH12 H 14.649 -1.368 -0.306 1.00 . A A . 19 ARG HH12 1 1 3 868 1 1 19 ARG HH21 H 14.601 1.871 -1.621 1.00 . A A . 19 ARG HH21 1 1 3 869 1 1 19 ARG HH22 H 15.478 0.381 -1.532 1.00 . A A . 19 ARG HH22 1 1 3 870 1 1 19 ARG N N 8.054 -0.537 -2.374 1.00 . A A . 19 ARG N 1 1 3 871 1 1 19 ARG NE N 12.686 1.162 -0.166 1.00 . A A . 19 ARG NE 1 1 3 872 1 1 19 ARG NH1 N 13.854 -0.816 -0.053 1.00 . A A . 19 ARG NH1 1 1 3 873 1 1 19 ARG NH2 N 14.684 0.935 -1.282 1.00 . A A . 19 ARG NH2 1 1 3 874 1 1 19 ARG O O 7.284 1.465 0.496 1.00 . A A . 19 ARG O 1 1 3 875 1 1 20 THR C C 3.567 0.650 -0.796 1.00 . A A . 20 THR C 1 1 3 876 1 1 20 THR CA C 4.839 1.490 -0.809 1.00 . A A . 20 THR CA 1 1 3 877 1 1 20 THR CB C 4.648 2.675 -1.774 1.00 . A A . 20 THR CB 1 1 3 878 1 1 20 THR CG2 C 4.293 3.943 -1.012 1.00 . A A . 20 THR CG2 1 1 3 879 1 1 20 THR H H 5.938 0.089 -1.953 1.00 . A A . 20 THR H 1 1 3 880 1 1 20 THR HA H 5.009 1.885 0.183 1.00 . A A . 20 THR HA 1 1 3 881 1 1 20 THR HB H 3.839 2.441 -2.452 1.00 . A A . 20 THR HB 1 1 3 882 1 1 20 THR HG1 H 5.758 2.469 -3.392 1.00 . A A . 20 THR HG1 1 1 3 883 1 1 20 THR HG21 H 3.221 4.069 -1.003 1.00 . A A . 20 THR HG21 1 1 3 884 1 1 20 THR HG22 H 4.751 4.794 -1.495 1.00 . A A . 20 THR HG22 1 1 3 885 1 1 20 THR HG23 H 4.655 3.866 0.002 1.00 . A A . 20 THR HG23 1 1 3 886 1 1 20 THR N N 5.997 0.686 -1.177 1.00 . A A . 20 THR N 1 1 3 887 1 1 20 THR O O 3.619 -0.575 -0.899 1.00 . A A . 20 THR O 1 1 3 888 1 1 20 THR OG1 O 5.845 2.888 -2.532 1.00 . A A . 20 THR OG1 1 1 3 889 1 1 21 CYS C C 0.218 1.162 -1.737 1.00 . A A . 21 CYS C 1 1 3 890 1 1 21 CYS CA C 1.138 0.632 -0.642 1.00 . A A . 21 CYS CA 1 1 3 891 1 1 21 CYS CB C 0.473 0.804 0.725 1.00 . A A . 21 CYS CB 1 1 3 892 1 1 21 CYS H H 2.447 2.294 -0.589 1.00 . A A . 21 CYS H 1 1 3 893 1 1 21 CYS HA H 1.317 -0.418 -0.816 1.00 . A A . 21 CYS HA 1 1 3 894 1 1 21 CYS HB3 H -0.568 0.526 0.648 1.00 . A A . 21 CYS HB3 1 1 3 895 1 1 21 CYS N N 2.424 1.317 -0.669 1.00 . A A . 21 CYS N 1 1 3 896 1 1 21 CYS O O 0.553 2.117 -2.438 1.00 . A A . 21 CYS O 1 1 3 897 1 1 21 CYS SG S 1.221 -0.202 2.047 1.00 . A A . 21 CYS SG 1 1 3 898 1 1 22 PHE C C -3.309 0.426 -2.545 1.00 . A A . 22 PHE C 1 1 3 899 1 1 22 PHE CA C -1.916 0.942 -2.890 1.00 . A A . 22 PHE CA 1 1 3 900 1 1 22 PHE CB C -1.495 0.428 -4.268 1.00 . A A . 22 PHE CB 1 1 3 901 1 1 22 PHE CD1 C -0.992 2.535 -5.536 1.00 . A A . 22 PHE CD1 1 1 3 902 1 1 22 PHE CD2 C -2.810 1.176 -6.269 1.00 . A A . 22 PHE CD2 1 1 3 903 1 1 22 PHE CE1 C -1.244 3.430 -6.558 1.00 . A A . 22 PHE CE1 1 1 3 904 1 1 22 PHE CE2 C -3.066 2.068 -7.294 1.00 . A A . 22 PHE CE2 1 1 3 905 1 1 22 PHE CG C -1.771 1.399 -5.379 1.00 . A A . 22 PHE CG 1 1 3 906 1 1 22 PHE CZ C -2.282 3.196 -7.438 1.00 . A A . 22 PHE CZ 1 1 3 907 1 1 22 PHE H H -1.158 -0.220 -1.291 1.00 . A A . 22 PHE H 1 1 3 908 1 1 22 PHE HA H -1.939 2.021 -2.909 1.00 . A A . 22 PHE HA 1 1 3 909 1 1 22 PHE HB3 H -2.029 -0.485 -4.482 1.00 . A A . 22 PHE HB3 1 1 3 910 1 1 22 PHE HD1 H -0.180 2.718 -4.847 1.00 . A A . 22 PHE HD1 1 1 3 911 1 1 22 PHE HD2 H -3.423 0.294 -6.158 1.00 . A A . 22 PHE HD2 1 1 3 912 1 1 22 PHE HE1 H -0.629 4.311 -6.667 1.00 . A A . 22 PHE HE1 1 1 3 913 1 1 22 PHE HE2 H -3.878 1.884 -7.981 1.00 . A A . 22 PHE HE2 1 1 3 914 1 1 22 PHE HZ H -2.481 3.895 -8.238 1.00 . A A . 22 PHE HZ 1 1 3 915 1 1 22 PHE N N -0.946 0.535 -1.879 1.00 . A A . 22 PHE N 1 1 3 916 1 1 22 PHE O O -3.461 -0.679 -2.022 1.00 . A A . 22 PHE O 1 1 3 917 1 1 23 ARG C C -6.523 0.805 -3.851 1.00 . A A . 23 ARG C 1 1 3 918 1 1 23 ARG CA C -5.704 0.857 -2.564 1.00 . A A . 23 ARG CA 1 1 3 919 1 1 23 ARG CB C -6.336 1.847 -1.584 1.00 . A A . 23 ARG CB 1 1 3 920 1 1 23 ARG CD C -7.963 3.725 -1.963 1.00 . A A . 23 ARG CD 1 1 3 921 1 1 23 ARG CG C -6.537 3.236 -2.167 1.00 . A A . 23 ARG CG 1 1 3 922 1 1 23 ARG CZ C -9.193 5.135 -0.369 1.00 . A A . 23 ARG CZ 1 1 3 923 1 1 23 ARG H H -4.138 2.099 -3.260 1.00 . A A . 23 ARG H 1 1 3 924 1 1 23 ARG HA H -5.698 -0.125 -2.116 1.00 . A A . 23 ARG HA 1 1 3 925 1 1 23 ARG HB3 H -5.697 1.933 -0.717 1.00 . A A . 23 ARG HB3 1 1 3 926 1 1 23 ARG HD3 H -8.629 2.876 -2.007 1.00 . A A . 23 ARG HD3 1 1 3 927 1 1 23 ARG HE H -7.421 4.291 -0.013 1.00 . A A . 23 ARG HE 1 1 3 928 1 1 23 ARG HG3 H -6.323 3.207 -3.225 1.00 . A A . 23 ARG HG3 1 1 3 929 1 1 23 ARG HH11 H -10.113 4.859 -2.146 1.00 . A A . 23 ARG HH11 1 1 3 930 1 1 23 ARG HH12 H -10.970 5.852 -1.013 1.00 . A A . 23 ARG HH12 1 1 3 931 1 1 23 ARG HH21 H -8.539 5.596 1.487 1.00 . A A . 23 ARG HH21 1 1 3 932 1 1 23 ARG HH22 H -10.073 6.270 1.052 1.00 . A A . 23 ARG HH22 1 1 3 933 1 1 23 ARG N N -4.323 1.231 -2.843 1.00 . A A . 23 ARG N 1 1 3 934 1 1 23 ARG NE N -8.133 4.397 -0.677 1.00 . A A . 23 ARG NE 1 1 3 935 1 1 23 ARG NH1 N -10.172 5.296 -1.248 1.00 . A A . 23 ARG NH1 1 1 3 936 1 1 23 ARG NH2 N -9.275 5.714 0.822 1.00 . A A . 23 ARG NH2 1 1 3 937 1 1 23 ARG O O -7.727 1.065 -3.843 1.00 . A A . 23 ARG O 1 1 3 938 1 1 24 ASP C C -7.003 1.757 -6.708 1.00 . A A . 24 ASP C 1 1 3 939 1 1 24 ASP CA C -6.531 0.381 -6.247 1.00 . A A . 24 ASP CA 1 1 3 940 1 1 24 ASP CB C -7.718 -0.579 -6.169 1.00 . A A . 24 ASP CB 1 1 3 941 1 1 24 ASP CG C -7.464 -1.876 -6.912 1.00 . A A . 24 ASP CG 1 1 3 942 1 1 24 ASP H H -4.905 0.271 -4.895 1.00 . A A . 24 ASP H 1 1 3 943 1 1 24 ASP HA H -5.818 0.000 -6.963 1.00 . A A . 24 ASP HA 1 1 3 944 1 1 24 ASP HB3 H -8.587 -0.103 -6.599 1.00 . A A . 24 ASP HB3 1 1 3 945 1 1 24 ASP N N -5.864 0.468 -4.953 1.00 . A A . 24 ASP N 1 1 3 946 1 1 24 ASP O O -7.663 2.480 -5.964 1.00 . A A . 24 ASP O 1 1 3 947 1 1 24 ASP OD1 O -6.341 -2.412 -6.803 1.00 . A A . 24 ASP OD1 1 1 3 948 1 1 24 ASP OD2 O -8.388 -2.354 -7.603 1.00 . A A . 24 ASP OD2 1 1 3 949 1 1 25 GLY C C -6.031 4.484 -8.203 1.00 . A A . 25 GLY C 1 1 3 950 1 1 25 GLY CA C -7.054 3.401 -8.481 1.00 . A A . 25 GLY CA 1 1 3 951 1 1 25 GLY H H -6.130 1.495 -8.491 1.00 . A A . 25 GLY H 1 1 3 952 1 1 25 GLY HA2 H -7.183 3.307 -9.549 1.00 . A A . 25 GLY HA2 1 1 3 953 1 1 25 GLY HA3 H -7.997 3.689 -8.038 1.00 . A A . 25 GLY HA3 1 1 3 954 1 1 25 GLY N N -6.659 2.112 -7.942 1.00 . A A . 25 GLY N 1 1 3 955 1 1 25 GLY O O -5.601 5.191 -9.115 1.00 . A A . 25 GLY O 1 1 3 956 1 1 26 LEU C C -4.041 5.277 -5.194 1.00 . A A . 26 LEU C 1 1 3 957 1 1 26 LEU CA C -4.663 5.624 -6.543 1.00 . A A . 26 LEU CA 1 1 3 958 1 1 26 LEU CB C -5.322 7.003 -6.473 1.00 . A A . 26 LEU CB 1 1 3 959 1 1 26 LEU CD1 C -5.162 8.155 -4.252 1.00 . A A . 26 LEU CD1 1 1 3 960 1 1 26 LEU CD2 C -7.351 8.073 -5.461 1.00 . A A . 26 LEU CD2 1 1 3 961 1 1 26 LEU CG C -6.053 7.333 -5.171 1.00 . A A . 26 LEU CG 1 1 3 962 1 1 26 LEU H H -6.019 4.025 -6.257 1.00 . A A . 26 LEU H 1 1 3 963 1 1 26 LEU HA H -3.885 5.643 -7.291 1.00 . A A . 26 LEU HA 1 1 3 964 1 1 26 LEU HB3 H -6.037 7.069 -7.281 1.00 . A A . 26 LEU HB3 1 1 3 965 1 1 26 LEU HD11 H -5.764 8.872 -3.715 1.00 . A A . 26 LEU HD11 1 1 3 966 1 1 26 LEU HD12 H -4.421 8.675 -4.840 1.00 . A A . 26 LEU HD12 1 1 3 967 1 1 26 LEU HD13 H -4.669 7.500 -3.549 1.00 . A A . 26 LEU HD13 1 1 3 968 1 1 26 LEU HD21 H -7.762 8.453 -4.538 1.00 . A A . 26 LEU HD21 1 1 3 969 1 1 26 LEU HD22 H -8.057 7.396 -5.918 1.00 . A A . 26 LEU HD22 1 1 3 970 1 1 26 LEU HD23 H -7.154 8.895 -6.134 1.00 . A A . 26 LEU HD23 1 1 3 971 1 1 26 LEU HG H -6.299 6.411 -4.661 1.00 . A A . 26 LEU HG 1 1 3 972 1 1 26 LEU N N -5.641 4.617 -6.940 1.00 . A A . 26 LEU N 1 1 3 973 1 1 26 LEU O O -4.636 4.586 -4.367 1.00 . A A . 26 LEU O 1 1 3 974 1 1 27 PRO C C -2.706 6.255 -2.530 1.00 . A A . 27 PRO C 1 1 3 975 1 1 27 PRO CA C -2.084 5.525 -3.717 1.00 . A A . 27 PRO CA 1 1 3 976 1 1 27 PRO CB C -0.687 6.074 -4.009 1.00 . A A . 27 PRO CB 1 1 3 977 1 1 27 PRO CD C -2.045 6.599 -5.905 1.00 . A A . 27 PRO CD 1 1 3 978 1 1 27 PRO CG C -0.897 7.098 -5.071 1.00 . A A . 27 PRO CG 1 1 3 979 1 1 27 PRO HA H -2.019 4.470 -3.494 1.00 . A A . 27 PRO HA 1 1 3 980 1 1 27 PRO HB3 H -0.047 5.276 -4.353 1.00 . A A . 27 PRO HB3 1 1 3 981 1 1 27 PRO HD3 H -1.681 6.008 -6.732 1.00 . A A . 27 PRO HD3 1 1 3 982 1 1 27 PRO HG3 H -0.006 7.187 -5.676 1.00 . A A . 27 PRO HG3 1 1 3 983 1 1 27 PRO N N -2.814 5.768 -4.965 1.00 . A A . 27 PRO N 1 1 3 984 1 1 27 PRO O O -2.326 7.382 -2.215 1.00 . A A . 27 PRO O 1 1 4 985 1 1 1 SER C C -4.690 4.467 1.133 1.00 . A A . 1 SER C 1 1 4 986 1 1 1 SER CA C -4.665 5.581 0.090 1.00 . A A . 1 SER CA 1 1 4 987 1 1 1 SER CB C -6.090 5.894 -0.371 1.00 . A A . 1 SER CB 1 1 4 988 1 1 1 SER H1 H -4.246 4.754 -1.814 1.00 . A A . 1 SER H1 1 1 4 989 1 1 1 SER HA H -4.238 6.467 0.537 1.00 . A A . 1 SER HA 1 1 4 990 1 1 1 SER HB3 H -6.053 6.592 -1.195 1.00 . A A . 1 SER HB3 1 1 4 991 1 1 1 SER HG H -7.705 4.867 -0.789 1.00 . A A . 1 SER HG 1 1 4 992 1 1 1 SER N N -3.834 5.208 -1.049 1.00 . A A . 1 SER N 1 1 4 993 1 1 1 SER O O -5.621 4.369 1.931 1.00 . A A . 1 SER O 1 1 4 994 1 1 1 SER OG O -6.757 4.719 -0.800 1.00 . A A . 1 SER OG 1 1 4 995 1 1 2 CYS C C -2.380 2.720 3.012 1.00 . A A . 2 CYS C 1 1 4 996 1 1 2 CYS CA C -3.559 2.522 2.062 1.00 . A A . 2 CYS CA 1 1 4 997 1 1 2 CYS CB C -3.406 1.198 1.310 1.00 . A A . 2 CYS CB 1 1 4 998 1 1 2 CYS H H -2.945 3.760 0.458 1.00 . A A . 2 CYS H 1 1 4 999 1 1 2 CYS HA H -4.470 2.495 2.639 1.00 . A A . 2 CYS HA 1 1 4 1000 1 1 2 CYS HB3 H -2.872 0.498 1.935 1.00 . A A . 2 CYS HB3 1 1 4 1001 1 1 2 CYS N N -3.658 3.630 1.119 1.00 . A A . 2 CYS N 1 1 4 1002 1 1 2 CYS O O -1.231 2.793 2.583 1.00 . A A . 2 CYS O 1 1 4 1003 1 1 2 CYS SG S -4.986 0.426 0.837 1.00 . A A . 2 CYS SG 1 1 4 1004 1 1 3 GLY C C -0.726 1.786 5.416 1.00 . A A . 3 GLY C 1 1 4 1005 1 1 3 GLY CA C -1.634 2.993 5.294 1.00 . A A . 3 GLY CA 1 1 4 1006 1 1 3 GLY H H -3.614 2.739 4.589 1.00 . A A . 3 GLY H 1 1 4 1007 1 1 3 GLY HA2 H -1.040 3.850 5.017 1.00 . A A . 3 GLY HA2 1 1 4 1008 1 1 3 GLY HA3 H -2.094 3.181 6.254 1.00 . A A . 3 GLY HA3 1 1 4 1009 1 1 3 GLY N N -2.678 2.805 4.305 1.00 . A A . 3 GLY N 1 1 4 1010 1 1 3 GLY O O -0.354 1.176 4.414 1.00 . A A . 3 GLY O 1 1 4 1011 1 1 4 GLY C C 1.832 0.432 6.155 1.00 . A A . 4 GLY C 1 1 4 1012 1 1 4 GLY CA C 0.504 0.300 6.874 1.00 . A A . 4 GLY CA 1 1 4 1013 1 1 4 GLY H H -0.692 1.962 7.410 1.00 . A A . 4 GLY H 1 1 4 1014 1 1 4 GLY HA2 H 0.688 0.206 7.934 1.00 . A A . 4 GLY HA2 1 1 4 1015 1 1 4 GLY HA3 H 0.006 -0.594 6.525 1.00 . A A . 4 GLY HA3 1 1 4 1016 1 1 4 GLY N N -0.366 1.439 6.648 1.00 . A A . 4 GLY N 1 1 4 1017 1 1 4 GLY O O 2.044 1.378 5.397 1.00 . A A . 4 GLY O 1 1 4 1018 1 1 5 SER C C 4.331 -1.826 5.066 1.00 . A A . 5 SER C 1 1 4 1019 1 1 5 SER CA C 4.046 -0.501 5.769 1.00 . A A . 5 SER CA 1 1 4 1020 1 1 5 SER CB C 5.127 -0.223 6.814 1.00 . A A . 5 SER CB 1 1 4 1021 1 1 5 SER H H 2.501 -1.248 7.009 1.00 . A A . 5 SER H 1 1 4 1022 1 1 5 SER HA H 4.054 0.290 5.035 1.00 . A A . 5 SER HA 1 1 4 1023 1 1 5 SER HB3 H 5.770 -1.088 6.903 1.00 . A A . 5 SER HB3 1 1 4 1024 1 1 5 SER HG H 5.371 1.530 5.975 1.00 . A A . 5 SER HG 1 1 4 1025 1 1 5 SER N N 2.729 -0.519 6.394 1.00 . A A . 5 SER N 1 1 4 1026 1 1 5 SER O O 3.807 -2.872 5.450 1.00 . A A . 5 SER O 1 1 4 1027 1 1 5 SER OG O 5.916 0.896 6.446 1.00 . A A . 5 SER OG 1 1 4 1028 1 1 6 CYS C C 6.440 -3.875 4.090 1.00 . A A . 6 CYS C 1 1 4 1029 1 1 6 CYS CA C 5.522 -2.966 3.275 1.00 . A A . 6 CYS CA 1 1 4 1030 1 1 6 CYS CB C 6.205 -2.577 1.962 1.00 . A A . 6 CYS CB 1 1 4 1031 1 1 6 CYS H H 5.553 -0.910 3.775 1.00 . A A . 6 CYS H 1 1 4 1032 1 1 6 CYS HA H 4.613 -3.501 3.052 1.00 . A A . 6 CYS HA 1 1 4 1033 1 1 6 CYS HB3 H 6.912 -3.348 1.691 1.00 . A A . 6 CYS HB3 1 1 4 1034 1 1 6 CYS N N 5.166 -1.773 4.034 1.00 . A A . 6 CYS N 1 1 4 1035 1 1 6 CYS O O 6.518 -5.077 3.842 1.00 . A A . 6 CYS O 1 1 4 1036 1 1 6 CYS SG S 5.059 -2.355 0.565 1.00 . A A . 6 CYS SG 1 1 4 1037 1 1 7 PHE C C 7.274 -4.834 6.969 1.00 . A A . 7 PHE C 1 1 4 1038 1 1 7 PHE CA C 8.043 -4.045 5.912 1.00 . A A . 7 PHE CA 1 1 4 1039 1 1 7 PHE CB C 9.041 -3.103 6.589 1.00 . A A . 7 PHE CB 1 1 4 1040 1 1 7 PHE CD1 C 10.204 -4.317 8.452 1.00 . A A . 7 PHE CD1 1 1 4 1041 1 1 7 PHE CD2 C 11.393 -3.963 6.416 1.00 . A A . 7 PHE CD2 1 1 4 1042 1 1 7 PHE CE1 C 11.301 -4.967 8.984 1.00 . A A . 7 PHE CE1 1 1 4 1043 1 1 7 PHE CE2 C 12.492 -4.612 6.941 1.00 . A A . 7 PHE CE2 1 1 4 1044 1 1 7 PHE CG C 10.236 -3.809 7.164 1.00 . A A . 7 PHE CG 1 1 4 1045 1 1 7 PHE CZ C 12.447 -5.115 8.228 1.00 . A A . 7 PHE CZ 1 1 4 1046 1 1 7 PHE H H 7.025 -2.326 5.211 1.00 . A A . 7 PHE H 1 1 4 1047 1 1 7 PHE HA H 8.582 -4.738 5.285 1.00 . A A . 7 PHE HA 1 1 4 1048 1 1 7 PHE HB3 H 8.544 -2.581 7.393 1.00 . A A . 7 PHE HB3 1 1 4 1049 1 1 7 PHE HD1 H 9.307 -4.202 9.045 1.00 . A A . 7 PHE HD1 1 1 4 1050 1 1 7 PHE HD2 H 11.429 -3.571 5.410 1.00 . A A . 7 PHE HD2 1 1 4 1051 1 1 7 PHE HE1 H 11.262 -5.358 9.990 1.00 . A A . 7 PHE HE1 1 1 4 1052 1 1 7 PHE HE2 H 13.388 -4.726 6.349 1.00 . A A . 7 PHE HE2 1 1 4 1053 1 1 7 PHE HZ H 13.306 -5.623 8.641 1.00 . A A . 7 PHE HZ 1 1 4 1054 1 1 7 PHE N N 7.131 -3.290 5.062 1.00 . A A . 7 PHE N 1 1 4 1055 1 1 7 PHE O O 7.807 -5.762 7.576 1.00 . A A . 7 PHE O 1 1 4 1056 1 1 8 GLY C C 3.814 -5.466 7.639 1.00 . A A . 8 GLY C 1 1 4 1057 1 1 8 GLY CA C 5.196 -5.136 8.166 1.00 . A A . 8 GLY CA 1 1 4 1058 1 1 8 GLY H H 5.646 -3.707 6.670 1.00 . A A . 8 GLY H 1 1 4 1059 1 1 8 GLY HA2 H 5.687 -6.053 8.459 1.00 . A A . 8 GLY HA2 1 1 4 1060 1 1 8 GLY HA3 H 5.094 -4.502 9.035 1.00 . A A . 8 GLY HA3 1 1 4 1061 1 1 8 GLY N N 6.018 -4.456 7.183 1.00 . A A . 8 GLY N 1 1 4 1062 1 1 8 GLY O O 2.880 -5.673 8.412 1.00 . A A . 8 GLY O 1 1 4 1063 1 1 9 GLY C C 1.573 -4.578 5.445 1.00 . A A . 9 GLY C 1 1 4 1064 1 1 9 GLY CA C 2.401 -5.820 5.709 1.00 . A A . 9 GLY CA 1 1 4 1065 1 1 9 GLY H H 4.463 -5.340 5.749 1.00 . A A . 9 GLY H 1 1 4 1066 1 1 9 GLY HA2 H 2.572 -6.332 4.773 1.00 . A A . 9 GLY HA2 1 1 4 1067 1 1 9 GLY HA3 H 1.849 -6.473 6.369 1.00 . A A . 9 GLY HA3 1 1 4 1068 1 1 9 GLY N N 3.683 -5.514 6.317 1.00 . A A . 9 GLY N 1 1 4 1069 1 1 9 GLY O O 1.484 -3.691 6.294 1.00 . A A . 9 GLY O 1 1 4 1070 1 1 10 CYS C C -1.191 -3.395 4.629 1.00 . A A . 10 CYS C 1 1 4 1071 1 1 10 CYS CA C 0.143 -3.369 3.889 1.00 . A A . 10 CYS CA 1 1 4 1072 1 1 10 CYS CB C -0.098 -3.361 2.379 1.00 . A A . 10 CYS CB 1 1 4 1073 1 1 10 CYS H H 1.075 -5.251 3.629 1.00 . A A . 10 CYS H 1 1 4 1074 1 1 10 CYS HA H 0.676 -2.473 4.165 1.00 . A A . 10 CYS HA 1 1 4 1075 1 1 10 CYS HB3 H -1.068 -2.932 2.179 1.00 . A A . 10 CYS HB3 1 1 4 1076 1 1 10 CYS N N 0.966 -4.513 4.265 1.00 . A A . 10 CYS N 1 1 4 1077 1 1 10 CYS O O -1.514 -4.364 5.315 1.00 . A A . 10 CYS O 1 1 4 1078 1 1 10 CYS SG S 1.136 -2.411 1.434 1.00 . A A . 10 CYS SG 1 1 4 1079 1 1 11 TRP C C -4.159 -3.393 4.749 1.00 . A A . 11 TRP C 1 1 4 1080 1 1 11 TRP CA C -3.263 -2.222 5.136 1.00 . A A . 11 TRP CA 1 1 4 1081 1 1 11 TRP CB C -3.940 -0.902 4.767 1.00 . A A . 11 TRP CB 1 1 4 1082 1 1 11 TRP CD1 C -3.288 0.220 6.977 1.00 . A A . 11 TRP CD1 1 1 4 1083 1 1 11 TRP CD2 C -5.300 0.821 6.199 1.00 . A A . 11 TRP CD2 1 1 4 1084 1 1 11 TRP CE2 C -5.064 1.503 7.408 1.00 . A A . 11 TRP CE2 1 1 4 1085 1 1 11 TRP CE3 C -6.503 1.044 5.524 1.00 . A A . 11 TRP CE3 1 1 4 1086 1 1 11 TRP CG C -4.151 0.007 5.941 1.00 . A A . 11 TRP CG 1 1 4 1087 1 1 11 TRP CH2 C -7.158 2.586 7.275 1.00 . A A . 11 TRP CH2 1 1 4 1088 1 1 11 TRP CZ2 C -5.988 2.388 7.956 1.00 . A A . 11 TRP CZ2 1 1 4 1089 1 1 11 TRP CZ3 C -7.420 1.922 6.069 1.00 . A A . 11 TRP CZ3 1 1 4 1090 1 1 11 TRP H H -1.650 -1.582 3.922 1.00 . A A . 11 TRP H 1 1 4 1091 1 1 11 TRP HA H -3.099 -2.246 6.203 1.00 . A A . 11 TRP HA 1 1 4 1092 1 1 11 TRP HB3 H -4.907 -1.111 4.329 1.00 . A A . 11 TRP HB3 1 1 4 1093 1 1 11 TRP HD1 H -2.324 -0.257 7.073 1.00 . A A . 11 TRP HD1 1 1 4 1094 1 1 11 TRP HE1 H -3.402 1.434 8.688 1.00 . A A . 11 TRP HE1 1 1 4 1095 1 1 11 TRP HE3 H -6.724 0.541 4.594 1.00 . A A . 11 TRP HE3 1 1 4 1096 1 1 11 TRP HH2 H -7.903 3.264 7.664 1.00 . A A . 11 TRP HH2 1 1 4 1097 1 1 11 TRP HZ2 H -5.801 2.908 8.884 1.00 . A A . 11 TRP HZ2 1 1 4 1098 1 1 11 TRP HZ3 H -8.356 2.106 5.562 1.00 . A A . 11 TRP HZ3 1 1 4 1099 1 1 11 TRP N N -1.962 -2.323 4.482 1.00 . A A . 11 TRP N 1 1 4 1100 1 1 11 TRP NE1 N -3.830 1.118 7.864 1.00 . A A . 11 TRP NE1 1 1 4 1101 1 1 11 TRP O O -3.870 -4.164 3.817 1.00 . A A . 11 TRP O 1 1 4 1102 1 1 12 HYP C C -6.989 -4.480 3.926 1.00 . A A . 12 HYP C 1 1 4 1103 1 1 12 HYP CA C -6.242 -4.630 5.240 1.00 . A A . 12 HYP CA 1 1 4 1104 1 1 12 HYP CB C -7.210 -4.515 6.431 1.00 . A A . 12 HYP CB 1 1 4 1105 1 1 12 HYP CD C -5.704 -2.695 6.582 1.00 . A A . 12 HYP CD 1 1 4 1106 1 1 12 HYP CG C -6.492 -3.658 7.408 1.00 . A A . 12 HYP CG 1 1 4 1107 1 1 12 HYP HA H -5.756 -5.594 5.263 1.00 . A A . 12 HYP HA 1 1 4 1108 1 1 12 HYP HB2 H -7.404 -5.497 6.837 1.00 . A A . 12 HYP HB2 1 1 4 1109 1 1 12 HYP HB3 H -8.135 -4.059 6.110 1.00 . A A . 12 HYP HB3 1 1 4 1110 1 1 12 HYP HD1 H -5.386 -5.378 7.659 1.00 . A A . 12 HYP HD1 1 1 4 1111 1 1 12 HYP HD22 H -6.637 -1.976 6.406 1.00 . A A . 12 HYP HD22 1 1 4 1112 1 1 12 HYP HD23 H -5.126 -2.308 7.288 1.00 . A A . 12 HYP HD23 1 1 4 1113 1 1 12 HYP HG H -7.360 -3.436 8.138 1.00 . A A . 12 HYP HG 1 1 4 1114 1 1 12 HYP N N -5.280 -3.547 5.472 1.00 . A A . 12 HYP N 1 1 4 1115 1 1 12 HYP O O -7.734 -3.523 3.714 1.00 . A A . 12 HYP O 1 1 4 1116 1 1 12 HYP OD1 O -5.634 -4.603 8.186 1.00 . A A . 12 HYP OD1 1 1 4 1117 1 1 13 GLY C C -6.594 -4.717 0.683 1.00 . A A . 13 GLY C 1 1 4 1118 1 1 13 GLY CA C -7.432 -5.411 1.738 1.00 . A A . 13 GLY CA 1 1 4 1119 1 1 13 GLY H H -6.174 -6.182 3.257 1.00 . A A . 13 GLY H 1 1 4 1120 1 1 13 GLY HA2 H -7.627 -6.424 1.420 1.00 . A A . 13 GLY HA2 1 1 4 1121 1 1 13 GLY HA3 H -8.372 -4.888 1.835 1.00 . A A . 13 GLY HA3 1 1 4 1122 1 1 13 GLY N N -6.779 -5.443 3.034 1.00 . A A . 13 GLY N 1 1 4 1123 1 1 13 GLY O O -7.062 -4.470 -0.429 1.00 . A A . 13 GLY O 1 1 4 1124 1 1 14 CYS C C -3.322 -4.662 -0.330 1.00 . A A . 14 CYS C 1 1 4 1125 1 1 14 CYS CA C -4.445 -3.728 0.107 1.00 . A A . 14 CYS CA 1 1 4 1126 1 1 14 CYS CB C -3.857 -2.474 0.758 1.00 . A A . 14 CYS CB 1 1 4 1127 1 1 14 CYS H H -5.036 -4.622 1.933 1.00 . A A . 14 CYS H 1 1 4 1128 1 1 14 CYS HA H -5.014 -3.437 -0.763 1.00 . A A . 14 CYS HA 1 1 4 1129 1 1 14 CYS HB3 H -3.362 -1.884 0.001 1.00 . A A . 14 CYS HB3 1 1 4 1130 1 1 14 CYS N N -5.351 -4.399 1.031 1.00 . A A . 14 CYS N 1 1 4 1131 1 1 14 CYS O O -3.370 -5.867 -0.080 1.00 . A A . 14 CYS O 1 1 4 1132 1 1 14 CYS SG S -5.090 -1.412 1.574 1.00 . A A . 14 CYS SG 1 1 4 1133 1 1 15 SER C C 0.104 -4.055 -1.433 1.00 . A A . 15 SER C 1 1 4 1134 1 1 15 SER CA C -1.177 -4.883 -1.460 1.00 . A A . 15 SER CA 1 1 4 1135 1 1 15 SER CB C -1.440 -5.392 -2.878 1.00 . A A . 15 SER CB 1 1 4 1136 1 1 15 SER H H -2.331 -3.134 -1.155 1.00 . A A . 15 SER H 1 1 4 1137 1 1 15 SER HA H -1.058 -5.729 -0.799 1.00 . A A . 15 SER HA 1 1 4 1138 1 1 15 SER HB3 H -1.096 -6.414 -2.961 1.00 . A A . 15 SER HB3 1 1 4 1139 1 1 15 SER HG H -2.957 -4.836 -3.987 1.00 . A A . 15 SER HG 1 1 4 1140 1 1 15 SER N N -2.311 -4.100 -0.985 1.00 . A A . 15 SER N 1 1 4 1141 1 1 15 SER O O 0.062 -2.824 -1.433 1.00 . A A . 15 SER O 1 1 4 1142 1 1 15 SER OG O -2.823 -5.351 -3.187 1.00 . A A . 15 SER OG 1 1 4 1143 1 1 16 CYS C C 3.104 -3.925 -2.796 1.00 . A A . 16 CYS C 1 1 4 1144 1 1 16 CYS CA C 2.538 -4.069 -1.386 1.00 . A A . 16 CYS CA 1 1 4 1145 1 1 16 CYS CB C 3.519 -4.846 -0.507 1.00 . A A . 16 CYS CB 1 1 4 1146 1 1 16 CYS H H 1.212 -5.720 -1.415 1.00 . A A . 16 CYS H 1 1 4 1147 1 1 16 CYS HA H 2.394 -3.086 -0.967 1.00 . A A . 16 CYS HA 1 1 4 1148 1 1 16 CYS HB3 H 3.633 -5.845 -0.903 1.00 . A A . 16 CYS HB3 1 1 4 1149 1 1 16 CYS N N 1.243 -4.739 -1.413 1.00 . A A . 16 CYS N 1 1 4 1150 1 1 16 CYS O O 3.067 -4.865 -3.591 1.00 . A A . 16 CYS O 1 1 4 1151 1 1 16 CYS SG S 5.177 -4.098 -0.404 1.00 . A A . 16 CYS SG 1 1 4 1152 1 1 17 TYR C C 5.139 -1.272 -4.362 1.00 . A A . 17 TYR C 1 1 4 1153 1 1 17 TYR CA C 4.201 -2.474 -4.412 1.00 . A A . 17 TYR CA 1 1 4 1154 1 1 17 TYR CB C 3.091 -2.226 -5.435 1.00 . A A . 17 TYR CB 1 1 4 1155 1 1 17 TYR CD1 C 4.138 -3.032 -7.586 1.00 . A A . 17 TYR CD1 1 1 4 1156 1 1 17 TYR CD2 C 3.547 -0.729 -7.417 1.00 . A A . 17 TYR CD2 1 1 4 1157 1 1 17 TYR CE1 C 4.606 -2.822 -8.869 1.00 . A A . 17 TYR CE1 1 1 4 1158 1 1 17 TYR CE2 C 4.011 -0.510 -8.699 1.00 . A A . 17 TYR CE2 1 1 4 1159 1 1 17 TYR CG C 3.601 -1.991 -6.838 1.00 . A A . 17 TYR CG 1 1 4 1160 1 1 17 TYR CZ C 4.540 -1.560 -9.421 1.00 . A A . 17 TYR CZ 1 1 4 1161 1 1 17 TYR H H 3.629 -2.033 -2.423 1.00 . A A . 17 TYR H 1 1 4 1162 1 1 17 TYR HA H 4.765 -3.344 -4.713 1.00 . A A . 17 TYR HA 1 1 4 1163 1 1 17 TYR HB3 H 2.525 -1.354 -5.137 1.00 . A A . 17 TYR HB3 1 1 4 1164 1 1 17 TYR HD1 H 4.187 -4.020 -7.150 1.00 . A A . 17 TYR HD1 1 1 4 1165 1 1 17 TYR HD2 H 3.130 0.092 -6.849 1.00 . A A . 17 TYR HD2 1 1 4 1166 1 1 17 TYR HE1 H 5.021 -3.644 -9.434 1.00 . A A . 17 TYR HE1 1 1 4 1167 1 1 17 TYR HE2 H 3.960 0.478 -9.132 1.00 . A A . 17 TYR HE2 1 1 4 1168 1 1 17 TYR HH H 4.462 -1.836 -11.321 1.00 . A A . 17 TYR HH 1 1 4 1169 1 1 17 TYR N N 3.629 -2.742 -3.098 1.00 . A A . 17 TYR N 1 1 4 1170 1 1 17 TYR O O 4.773 -0.204 -3.873 1.00 . A A . 17 TYR O 1 1 4 1171 1 1 17 TYR OH O 5.004 -1.348 -10.699 1.00 . A A . 17 TYR OH 1 1 4 1172 1 1 18 ALA C C 7.656 0.095 -3.475 1.00 . A A . 18 ALA C 1 1 4 1173 1 1 18 ALA CA C 7.344 -0.387 -4.888 1.00 . A A . 18 ALA CA 1 1 4 1174 1 1 18 ALA CB C 6.858 0.770 -5.747 1.00 . A A . 18 ALA CB 1 1 4 1175 1 1 18 ALA H H 6.587 -2.331 -5.246 1.00 . A A . 18 ALA H 1 1 4 1176 1 1 18 ALA HA H 8.249 -0.778 -5.332 1.00 . A A . 18 ALA HA 1 1 4 1177 1 1 18 ALA HB1 H 7.063 0.557 -6.786 1.00 . A A . 18 ALA HB1 1 1 4 1178 1 1 18 ALA HB2 H 5.796 0.900 -5.608 1.00 . A A . 18 ALA HB2 1 1 4 1179 1 1 18 ALA HB3 H 7.373 1.674 -5.457 1.00 . A A . 18 ALA HB3 1 1 4 1180 1 1 18 ALA N N 6.353 -1.456 -4.871 1.00 . A A . 18 ALA N 1 1 4 1181 1 1 18 ALA O O 7.694 1.296 -3.213 1.00 . A A . 18 ALA O 1 1 4 1182 1 1 19 ARG C C 7.125 0.409 -0.597 1.00 . A A . 19 ARG C 1 1 4 1183 1 1 19 ARG CA C 8.183 -0.523 -1.180 1.00 . A A . 19 ARG CA 1 1 4 1184 1 1 19 ARG CB C 9.563 0.130 -1.081 1.00 . A A . 19 ARG CB 1 1 4 1185 1 1 19 ARG CD C 11.347 -1.452 -0.286 1.00 . A A . 19 ARG CD 1 1 4 1186 1 1 19 ARG CG C 10.702 -0.790 -1.493 1.00 . A A . 19 ARG CG 1 1 4 1187 1 1 19 ARG CZ C 10.590 -2.775 1.643 1.00 . A A . 19 ARG CZ 1 1 4 1188 1 1 19 ARG H H 7.832 -1.793 -2.837 1.00 . A A . 19 ARG H 1 1 4 1189 1 1 19 ARG HA H 8.187 -1.442 -0.614 1.00 . A A . 19 ARG HA 1 1 4 1190 1 1 19 ARG HB3 H 9.729 0.437 -0.060 1.00 . A A . 19 ARG HB3 1 1 4 1191 1 1 19 ARG HD3 H 11.648 -0.684 0.411 1.00 . A A . 19 ARG HD3 1 1 4 1192 1 1 19 ARG HE H 9.669 -2.707 -0.125 1.00 . A A . 19 ARG HE 1 1 4 1193 1 1 19 ARG HG3 H 11.447 -0.211 -2.017 1.00 . A A . 19 ARG HG3 1 1 4 1194 1 1 19 ARG HH11 H 12.276 -1.706 1.954 1.00 . A A . 19 ARG HH11 1 1 4 1195 1 1 19 ARG HH12 H 11.731 -2.643 3.307 1.00 . A A . 19 ARG HH12 1 1 4 1196 1 1 19 ARG HH21 H 8.941 -3.945 1.648 1.00 . A A . 19 ARG HH21 1 1 4 1197 1 1 19 ARG HH22 H 9.836 -3.916 3.130 1.00 . A A . 19 ARG HH22 1 1 4 1198 1 1 19 ARG N N 7.877 -0.851 -2.567 1.00 . A A . 19 ARG N 1 1 4 1199 1 1 19 ARG NE N 10.435 -2.373 0.386 1.00 . A A . 19 ARG NE 1 1 4 1200 1 1 19 ARG NH1 N 11.618 -2.339 2.360 1.00 . A A . 19 ARG NH1 1 1 4 1201 1 1 19 ARG NH2 N 9.717 -3.614 2.185 1.00 . A A . 19 ARG NH2 1 1 4 1202 1 1 19 ARG O O 7.391 1.155 0.348 1.00 . A A . 19 ARG O 1 1 4 1203 1 1 20 THR C C 3.480 0.530 -0.939 1.00 . A A . 20 THR C 1 1 4 1204 1 1 20 THR CA C 4.827 1.204 -0.703 1.00 . A A . 20 THR CA 1 1 4 1205 1 1 20 THR CB C 4.834 2.574 -1.406 1.00 . A A . 20 THR CB 1 1 4 1206 1 1 20 THR CG2 C 4.150 3.627 -0.548 1.00 . A A . 20 THR CG2 1 1 4 1207 1 1 20 THR H H 5.774 -0.251 -1.913 1.00 . A A . 20 THR H 1 1 4 1208 1 1 20 THR HA H 4.955 1.367 0.358 1.00 . A A . 20 THR HA 1 1 4 1209 1 1 20 THR HB H 4.295 2.485 -2.339 1.00 . A A . 20 THR HB 1 1 4 1210 1 1 20 THR HG1 H 6.291 3.096 -2.629 1.00 . A A . 20 THR HG1 1 1 4 1211 1 1 20 THR HG21 H 3.134 3.765 -0.888 1.00 . A A . 20 THR HG21 1 1 4 1212 1 1 20 THR HG22 H 4.686 4.561 -0.630 1.00 . A A . 20 THR HG22 1 1 4 1213 1 1 20 THR HG23 H 4.144 3.304 0.482 1.00 . A A . 20 THR HG23 1 1 4 1214 1 1 20 THR N N 5.924 0.363 -1.164 1.00 . A A . 20 THR N 1 1 4 1215 1 1 20 THR O O 3.383 -0.435 -1.697 1.00 . A A . 20 THR O 1 1 4 1216 1 1 20 THR OG1 O 6.180 2.977 -1.683 1.00 . A A . 20 THR OG1 1 1 4 1217 1 1 21 CYS C C 0.317 1.235 -1.502 1.00 . A A . 21 CYS C 1 1 4 1218 1 1 21 CYS CA C 1.101 0.492 -0.425 1.00 . A A . 21 CYS CA 1 1 4 1219 1 1 21 CYS CB C 0.355 0.568 0.909 1.00 . A A . 21 CYS CB 1 1 4 1220 1 1 21 CYS H H 2.585 1.814 0.305 1.00 . A A . 21 CYS H 1 1 4 1221 1 1 21 CYS HA H 1.197 -0.543 -0.715 1.00 . A A . 21 CYS HA 1 1 4 1222 1 1 21 CYS HB3 H -0.668 0.262 0.758 1.00 . A A . 21 CYS HB3 1 1 4 1223 1 1 21 CYS N N 2.444 1.044 -0.285 1.00 . A A . 21 CYS N 1 1 4 1224 1 1 21 CYS O O 0.536 2.424 -1.736 1.00 . A A . 21 CYS O 1 1 4 1225 1 1 21 CYS SG S 1.062 -0.484 2.217 1.00 . A A . 21 CYS SG 1 1 4 1226 1 1 22 PHE C C -2.684 0.303 -3.435 1.00 . A A . 22 PHE C 1 1 4 1227 1 1 22 PHE CA C -1.414 1.118 -3.209 1.00 . A A . 22 PHE CA 1 1 4 1228 1 1 22 PHE CB C -0.616 1.211 -4.511 1.00 . A A . 22 PHE CB 1 1 4 1229 1 1 22 PHE CD1 C -0.316 3.673 -4.889 1.00 . A A . 22 PHE CD1 1 1 4 1230 1 1 22 PHE CD2 C -1.688 2.452 -6.410 1.00 . A A . 22 PHE CD2 1 1 4 1231 1 1 22 PHE CE1 C -0.554 4.834 -5.600 1.00 . A A . 22 PHE CE1 1 1 4 1232 1 1 22 PHE CE2 C -1.930 3.610 -7.126 1.00 . A A . 22 PHE CE2 1 1 4 1233 1 1 22 PHE CG C -0.878 2.470 -5.286 1.00 . A A . 22 PHE CG 1 1 4 1234 1 1 22 PHE CZ C -1.363 4.802 -6.720 1.00 . A A . 22 PHE CZ 1 1 4 1235 1 1 22 PHE H H -0.725 -0.418 -1.925 1.00 . A A . 22 PHE H 1 1 4 1236 1 1 22 PHE HA H -1.690 2.112 -2.894 1.00 . A A . 22 PHE HA 1 1 4 1237 1 1 22 PHE HB3 H -0.872 0.372 -5.142 1.00 . A A . 22 PHE HB3 1 1 4 1238 1 1 22 PHE HD1 H 0.318 3.698 -4.014 1.00 . A A . 22 PHE HD1 1 1 4 1239 1 1 22 PHE HD2 H -2.132 1.520 -6.729 1.00 . A A . 22 PHE HD2 1 1 4 1240 1 1 22 PHE HE1 H -0.110 5.764 -5.280 1.00 . A A . 22 PHE HE1 1 1 4 1241 1 1 22 PHE HE2 H -2.563 3.582 -7.999 1.00 . A A . 22 PHE HE2 1 1 4 1242 1 1 22 PHE HZ H -1.551 5.707 -7.277 1.00 . A A . 22 PHE HZ 1 1 4 1243 1 1 22 PHE N N -0.597 0.526 -2.156 1.00 . A A . 22 PHE N 1 1 4 1244 1 1 22 PHE O O -2.667 -0.927 -3.363 1.00 . A A . 22 PHE O 1 1 4 1245 1 1 23 ARG C C -5.710 0.845 -5.227 1.00 . A A . 23 ARG C 1 1 4 1246 1 1 23 ARG CA C -5.064 0.336 -3.943 1.00 . A A . 23 ARG CA 1 1 4 1247 1 1 23 ARG CB C -6.005 0.569 -2.759 1.00 . A A . 23 ARG CB 1 1 4 1248 1 1 23 ARG CD C -7.744 2.381 -2.663 1.00 . A A . 23 ARG CD 1 1 4 1249 1 1 23 ARG CG C -6.276 2.037 -2.474 1.00 . A A . 23 ARG CG 1 1 4 1250 1 1 23 ARG CZ C -9.089 4.085 -3.817 1.00 . A A . 23 ARG CZ 1 1 4 1251 1 1 23 ARG H H -3.735 1.973 -3.752 1.00 . A A . 23 ARG H 1 1 4 1252 1 1 23 ARG HA H -4.879 -0.722 -4.042 1.00 . A A . 23 ARG HA 1 1 4 1253 1 1 23 ARG HB3 H -5.569 0.127 -1.876 1.00 . A A . 23 ARG HB3 1 1 4 1254 1 1 23 ARG HD3 H -8.218 2.421 -1.694 1.00 . A A . 23 ARG HD3 1 1 4 1255 1 1 23 ARG HE H -7.138 4.243 -3.427 1.00 . A A . 23 ARG HE 1 1 4 1256 1 1 23 ARG HG3 H -5.684 2.639 -3.147 1.00 . A A . 23 ARG HG3 1 1 4 1257 1 1 23 ARG HH11 H -10.109 2.436 -3.253 1.00 . A A . 23 ARG HH11 1 1 4 1258 1 1 23 ARG HH12 H -11.045 3.646 -4.068 1.00 . A A . 23 ARG HH12 1 1 4 1259 1 1 23 ARG HH21 H -8.360 5.842 -4.499 1.00 . A A . 23 ARG HH21 1 1 4 1260 1 1 23 ARG HH22 H -10.048 5.583 -4.777 1.00 . A A . 23 ARG HH22 1 1 4 1261 1 1 23 ARG N N -3.784 0.995 -3.708 1.00 . A A . 23 ARG N 1 1 4 1262 1 1 23 ARG NE N -7.924 3.665 -3.332 1.00 . A A . 23 ARG NE 1 1 4 1263 1 1 23 ARG NH1 N -10.169 3.327 -3.704 1.00 . A A . 23 ARG NH1 1 1 4 1264 1 1 23 ARG NH2 N -9.172 5.268 -4.413 1.00 . A A . 23 ARG NH2 1 1 4 1265 1 1 23 ARG O O -6.932 0.825 -5.369 1.00 . A A . 23 ARG O 1 1 4 1266 1 1 24 ASP C C -6.168 3.101 -7.230 1.00 . A A . 24 ASP C 1 1 4 1267 1 1 24 ASP CA C -5.371 1.817 -7.433 1.00 . A A . 24 ASP CA 1 1 4 1268 1 1 24 ASP CB C -6.237 0.768 -8.131 1.00 . A A . 24 ASP CB 1 1 4 1269 1 1 24 ASP CG C -5.560 0.174 -9.351 1.00 . A A . 24 ASP CG 1 1 4 1270 1 1 24 ASP H H -3.916 1.293 -5.987 1.00 . A A . 24 ASP H 1 1 4 1271 1 1 24 ASP HA H -4.515 2.034 -8.055 1.00 . A A . 24 ASP HA 1 1 4 1272 1 1 24 ASP HB3 H -7.164 1.226 -8.443 1.00 . A A . 24 ASP HB3 1 1 4 1273 1 1 24 ASP N N -4.880 1.302 -6.160 1.00 . A A . 24 ASP N 1 1 4 1274 1 1 24 ASP O O -7.016 3.184 -6.342 1.00 . A A . 24 ASP O 1 1 4 1275 1 1 24 ASP OD1 O -4.330 -0.039 -9.301 1.00 . A A . 24 ASP OD1 1 1 4 1276 1 1 24 ASP OD2 O -6.259 -0.077 -10.354 1.00 . A A . 24 ASP OD2 1 1 4 1277 1 1 25 GLY C C -5.889 6.342 -7.025 1.00 . A A . 25 GLY C 1 1 4 1278 1 1 25 GLY CA C -6.589 5.369 -7.954 1.00 . A A . 25 GLY CA 1 1 4 1279 1 1 25 GLY H H -5.204 3.979 -8.749 1.00 . A A . 25 GLY H 1 1 4 1280 1 1 25 GLY HA2 H -6.659 5.812 -8.936 1.00 . A A . 25 GLY HA2 1 1 4 1281 1 1 25 GLY HA3 H -7.585 5.187 -7.580 1.00 . A A . 25 GLY HA3 1 1 4 1282 1 1 25 GLY N N -5.889 4.102 -8.060 1.00 . A A . 25 GLY N 1 1 4 1283 1 1 25 GLY O O -5.632 7.489 -7.394 1.00 . A A . 25 GLY O 1 1 4 1284 1 1 26 LEU C C -3.976 5.893 -3.955 1.00 . A A . 26 LEU C 1 1 4 1285 1 1 26 LEU CA C -4.907 6.724 -4.831 1.00 . A A . 26 LEU CA 1 1 4 1286 1 1 26 LEU CB C -5.936 7.447 -3.960 1.00 . A A . 26 LEU CB 1 1 4 1287 1 1 26 LEU CD1 C -8.255 8.371 -3.727 1.00 . A A . 26 LEU CD1 1 1 4 1288 1 1 26 LEU CD2 C -6.697 9.325 -5.436 1.00 . A A . 26 LEU CD2 1 1 4 1289 1 1 26 LEU CG C -7.125 8.065 -4.697 1.00 . A A . 26 LEU CG 1 1 4 1290 1 1 26 LEU H H -5.810 4.963 -5.581 1.00 . A A . 26 LEU H 1 1 4 1291 1 1 26 LEU HA H -4.321 7.457 -5.365 1.00 . A A . 26 LEU HA 1 1 4 1292 1 1 26 LEU HB3 H -5.423 8.240 -3.434 1.00 . A A . 26 LEU HB3 1 1 4 1293 1 1 26 LEU HD11 H -9.046 8.888 -4.247 1.00 . A A . 26 LEU HD11 1 1 4 1294 1 1 26 LEU HD12 H -7.883 8.993 -2.926 1.00 . A A . 26 LEU HD12 1 1 4 1295 1 1 26 LEU HD13 H -8.635 7.447 -3.316 1.00 . A A . 26 LEU HD13 1 1 4 1296 1 1 26 LEU HD21 H -6.966 10.192 -4.852 1.00 . A A . 26 LEU HD21 1 1 4 1297 1 1 26 LEU HD22 H -7.196 9.366 -6.394 1.00 . A A . 26 LEU HD22 1 1 4 1298 1 1 26 LEU HD23 H -5.628 9.308 -5.587 1.00 . A A . 26 LEU HD23 1 1 4 1299 1 1 26 LEU HG H -7.494 7.357 -5.427 1.00 . A A . 26 LEU HG 1 1 4 1300 1 1 26 LEU N N -5.580 5.885 -5.817 1.00 . A A . 26 LEU N 1 1 4 1301 1 1 26 LEU O O -4.182 4.697 -3.746 1.00 . A A . 26 LEU O 1 1 4 1302 1 1 27 PRO C C -2.525 5.511 -1.200 1.00 . A A . 27 PRO C 1 1 4 1303 1 1 27 PRO CA C -1.943 5.881 -2.561 1.00 . A A . 27 PRO CA 1 1 4 1304 1 1 27 PRO CB C -0.845 6.935 -2.404 1.00 . A A . 27 PRO CB 1 1 4 1305 1 1 27 PRO CD C -2.618 7.965 -3.632 1.00 . A A . 27 PRO CD 1 1 4 1306 1 1 27 PRO CG C -1.535 8.237 -2.625 1.00 . A A . 27 PRO CG 1 1 4 1307 1 1 27 PRO HA H -1.533 4.997 -3.029 1.00 . A A . 27 PRO HA 1 1 4 1308 1 1 27 PRO HB3 H -0.073 6.768 -3.139 1.00 . A A . 27 PRO HB3 1 1 4 1309 1 1 27 PRO HD3 H -2.254 8.139 -4.635 1.00 . A A . 27 PRO HD3 1 1 4 1310 1 1 27 PRO HG3 H -0.835 8.961 -3.015 1.00 . A A . 27 PRO HG3 1 1 4 1311 1 1 27 PRO N N -2.926 6.539 -3.426 1.00 . A A . 27 PRO N 1 1 4 1312 1 1 27 PRO O O -1.815 5.492 -0.196 1.00 . A A . 27 PRO O 1 1 5 1313 1 1 1 SER C C -4.500 4.911 0.768 1.00 . A A . 1 SER C 1 1 5 1314 1 1 1 SER CA C -4.375 6.071 -0.214 1.00 . A A . 1 SER CA 1 1 5 1315 1 1 1 SER CB C -5.764 6.589 -0.589 1.00 . A A . 1 SER CB 1 1 5 1316 1 1 1 SER H1 H -4.083 5.068 -2.055 1.00 . A A . 1 SER H1 1 1 5 1317 1 1 1 SER HA H -3.818 6.867 0.257 1.00 . A A . 1 SER HA 1 1 5 1318 1 1 1 SER HB3 H -5.692 7.629 -0.875 1.00 . A A . 1 SER HB3 1 1 5 1319 1 1 1 SER HG H -7.267 5.897 -1.638 1.00 . A A . 1 SER HG 1 1 5 1320 1 1 1 SER N N -3.647 5.662 -1.410 1.00 . A A . 1 SER N 1 1 5 1321 1 1 1 SER O O -5.514 4.768 1.452 1.00 . A A . 1 SER O 1 1 5 1322 1 1 1 SER OG O -6.309 5.854 -1.671 1.00 . A A . 1 SER OG 1 1 5 1323 1 1 2 CYS C C -2.211 2.946 2.618 1.00 . A A . 2 CYS C 1 1 5 1324 1 1 2 CYS CA C -3.453 2.935 1.731 1.00 . A A . 2 CYS CA 1 1 5 1325 1 1 2 CYS CB C -3.509 1.634 0.928 1.00 . A A . 2 CYS CB 1 1 5 1326 1 1 2 CYS H H -2.682 4.250 0.263 1.00 . A A . 2 CYS H 1 1 5 1327 1 1 2 CYS HA H -4.329 2.998 2.359 1.00 . A A . 2 CYS HA 1 1 5 1328 1 1 2 CYS HB3 H -2.550 1.141 0.989 1.00 . A A . 2 CYS HB3 1 1 5 1329 1 1 2 CYS N N -3.462 4.084 0.834 1.00 . A A . 2 CYS N 1 1 5 1330 1 1 2 CYS O O -1.086 3.020 2.126 1.00 . A A . 2 CYS O 1 1 5 1331 1 1 2 CYS SG S -4.775 0.458 1.505 1.00 . A A . 2 CYS SG 1 1 5 1332 1 1 3 GLY C C -0.717 1.495 5.056 1.00 . A A . 3 GLY C 1 1 5 1333 1 1 3 GLY CA C -1.314 2.874 4.862 1.00 . A A . 3 GLY CA 1 1 5 1334 1 1 3 GLY H H -3.344 2.814 4.263 1.00 . A A . 3 GLY H 1 1 5 1335 1 1 3 GLY HA2 H -0.548 3.539 4.491 1.00 . A A . 3 GLY HA2 1 1 5 1336 1 1 3 GLY HA3 H -1.663 3.241 5.816 1.00 . A A . 3 GLY HA3 1 1 5 1337 1 1 3 GLY N N -2.426 2.872 3.927 1.00 . A A . 3 GLY N 1 1 5 1338 1 1 3 GLY O O -0.641 0.706 4.116 1.00 . A A . 3 GLY O 1 1 5 1339 1 1 4 GLY C C 1.759 -0.167 6.163 1.00 . A A . 4 GLY C 1 1 5 1340 1 1 4 GLY CA C 0.301 -0.090 6.573 1.00 . A A . 4 GLY CA 1 1 5 1341 1 1 4 GLY H H -0.375 1.873 6.992 1.00 . A A . 4 GLY H 1 1 5 1342 1 1 4 GLY HA2 H 0.226 -0.276 7.633 1.00 . A A . 4 GLY HA2 1 1 5 1343 1 1 4 GLY HA3 H -0.250 -0.852 6.043 1.00 . A A . 4 GLY HA3 1 1 5 1344 1 1 4 GLY N N -0.289 1.204 6.281 1.00 . A A . 4 GLY N 1 1 5 1345 1 1 4 GLY O O 2.170 0.460 5.186 1.00 . A A . 4 GLY O 1 1 5 1346 1 1 5 SER C C 4.209 -2.301 5.729 1.00 . A A . 5 SER C 1 1 5 1347 1 1 5 SER CA C 3.964 -1.090 6.623 1.00 . A A . 5 SER CA 1 1 5 1348 1 1 5 SER CB C 4.757 -1.232 7.923 1.00 . A A . 5 SER CB 1 1 5 1349 1 1 5 SER H H 2.155 -1.412 7.676 1.00 . A A . 5 SER H 1 1 5 1350 1 1 5 SER HA H 4.295 -0.202 6.105 1.00 . A A . 5 SER HA 1 1 5 1351 1 1 5 SER HB3 H 5.303 -0.319 8.111 1.00 . A A . 5 SER HB3 1 1 5 1352 1 1 5 SER HG H 4.259 -2.189 9.560 1.00 . A A . 5 SER HG 1 1 5 1353 1 1 5 SER N N 2.542 -0.937 6.911 1.00 . A A . 5 SER N 1 1 5 1354 1 1 5 SER O O 3.620 -3.365 5.928 1.00 . A A . 5 SER O 1 1 5 1355 1 1 5 SER OG O 3.895 -1.482 9.021 1.00 . A A . 5 SER OG 1 1 5 1356 1 1 6 CYS C C 6.200 -4.312 4.519 1.00 . A A . 6 CYS C 1 1 5 1357 1 1 6 CYS CA C 5.410 -3.211 3.818 1.00 . A A . 6 CYS CA 1 1 5 1358 1 1 6 CYS CB C 6.211 -2.669 2.632 1.00 . A A . 6 CYS CB 1 1 5 1359 1 1 6 CYS H H 5.522 -1.263 4.635 1.00 . A A . 6 CYS H 1 1 5 1360 1 1 6 CYS HA H 4.483 -3.627 3.453 1.00 . A A . 6 CYS HA 1 1 5 1361 1 1 6 CYS HB3 H 6.878 -3.439 2.275 1.00 . A A . 6 CYS HB3 1 1 5 1362 1 1 6 CYS N N 5.085 -2.134 4.743 1.00 . A A . 6 CYS N 1 1 5 1363 1 1 6 CYS O O 6.213 -5.460 4.077 1.00 . A A . 6 CYS O 1 1 5 1364 1 1 6 CYS SG S 5.186 -2.127 1.227 1.00 . A A . 6 CYS SG 1 1 5 1365 1 1 7 PHE C C 6.764 -5.759 7.278 1.00 . A A . 7 PHE C 1 1 5 1366 1 1 7 PHE CA C 7.653 -4.907 6.378 1.00 . A A . 7 PHE CA 1 1 5 1367 1 1 7 PHE CB C 8.700 -4.174 7.223 1.00 . A A . 7 PHE CB 1 1 5 1368 1 1 7 PHE CD1 C 10.814 -5.482 6.884 1.00 . A A . 7 PHE CD1 1 1 5 1369 1 1 7 PHE CD2 C 9.807 -5.495 9.046 1.00 . A A . 7 PHE CD2 1 1 5 1370 1 1 7 PHE CE1 C 11.823 -6.306 7.347 1.00 . A A . 7 PHE CE1 1 1 5 1371 1 1 7 PHE CE2 C 10.814 -6.318 9.515 1.00 . A A . 7 PHE CE2 1 1 5 1372 1 1 7 PHE CG C 9.795 -5.068 7.728 1.00 . A A . 7 PHE CG 1 1 5 1373 1 1 7 PHE CZ C 11.824 -6.723 8.664 1.00 . A A . 7 PHE CZ 1 1 5 1374 1 1 7 PHE H H 6.811 -3.020 5.917 1.00 . A A . 7 PHE H 1 1 5 1375 1 1 7 PHE HA H 8.159 -5.553 5.677 1.00 . A A . 7 PHE HA 1 1 5 1376 1 1 7 PHE HB3 H 8.213 -3.728 8.077 1.00 . A A . 7 PHE HB3 1 1 5 1377 1 1 7 PHE HD1 H 10.815 -5.156 5.855 1.00 . A A . 7 PHE HD1 1 1 5 1378 1 1 7 PHE HD2 H 9.018 -5.178 9.713 1.00 . A A . 7 PHE HD2 1 1 5 1379 1 1 7 PHE HE1 H 12.611 -6.622 6.680 1.00 . A A . 7 PHE HE1 1 1 5 1380 1 1 7 PHE HE2 H 10.812 -6.643 10.544 1.00 . A A . 7 PHE HE2 1 1 5 1381 1 1 7 PHE HZ H 12.611 -7.367 9.027 1.00 . A A . 7 PHE HZ 1 1 5 1382 1 1 7 PHE N N 6.859 -3.951 5.616 1.00 . A A . 7 PHE N 1 1 5 1383 1 1 7 PHE O O 7.177 -6.812 7.762 1.00 . A A . 7 PHE O 1 1 5 1384 1 1 8 GLY C C 3.237 -6.163 7.705 1.00 . A A . 8 GLY C 1 1 5 1385 1 1 8 GLY CA C 4.607 -6.023 8.340 1.00 . A A . 8 GLY CA 1 1 5 1386 1 1 8 GLY H H 5.262 -4.448 7.085 1.00 . A A . 8 GLY H 1 1 5 1387 1 1 8 GLY HA2 H 5.006 -7.008 8.530 1.00 . A A . 8 GLY HA2 1 1 5 1388 1 1 8 GLY HA3 H 4.503 -5.500 9.279 1.00 . A A . 8 GLY HA3 1 1 5 1389 1 1 8 GLY N N 5.537 -5.293 7.498 1.00 . A A . 8 GLY N 1 1 5 1390 1 1 8 GLY O O 2.236 -6.325 8.401 1.00 . A A . 8 GLY O 1 1 5 1391 1 1 9 GLY C C 1.256 -4.880 5.456 1.00 . A A . 9 GLY C 1 1 5 1392 1 1 9 GLY CA C 1.931 -6.221 5.670 1.00 . A A . 9 GLY CA 1 1 5 1393 1 1 9 GLY H H 4.025 -5.970 5.873 1.00 . A A . 9 GLY H 1 1 5 1394 1 1 9 GLY HA2 H 2.112 -6.679 4.709 1.00 . A A . 9 GLY HA2 1 1 5 1395 1 1 9 GLY HA3 H 1.271 -6.855 6.242 1.00 . A A . 9 GLY HA3 1 1 5 1396 1 1 9 GLY N N 3.194 -6.100 6.377 1.00 . A A . 9 GLY N 1 1 5 1397 1 1 9 GLY O O 1.166 -4.069 6.377 1.00 . A A . 9 GLY O 1 1 5 1398 1 1 10 CYS C C -1.253 -3.311 4.578 1.00 . A A . 10 CYS C 1 1 5 1399 1 1 10 CYS CA C 0.113 -3.395 3.903 1.00 . A A . 10 CYS CA 1 1 5 1400 1 1 10 CYS CB C -0.047 -3.267 2.387 1.00 . A A . 10 CYS CB 1 1 5 1401 1 1 10 CYS H H 0.884 -5.334 3.544 1.00 . A A . 10 CYS H 1 1 5 1402 1 1 10 CYS HA H 0.729 -2.584 4.261 1.00 . A A . 10 CYS HA 1 1 5 1403 1 1 10 CYS HB3 H -0.949 -2.711 2.174 1.00 . A A . 10 CYS HB3 1 1 5 1404 1 1 10 CYS N N 0.781 -4.647 4.237 1.00 . A A . 10 CYS N 1 1 5 1405 1 1 10 CYS O O -1.699 -4.263 5.219 1.00 . A A . 10 CYS O 1 1 5 1406 1 1 10 CYS SG S 1.338 -2.420 1.562 1.00 . A A . 10 CYS SG 1 1 5 1407 1 1 11 TRP C C -4.174 -3.093 4.663 1.00 . A A . 11 TRP C 1 1 5 1408 1 1 11 TRP CA C -3.224 -1.957 5.027 1.00 . A A . 11 TRP CA 1 1 5 1409 1 1 11 TRP CB C -3.809 -0.620 4.569 1.00 . A A . 11 TRP CB 1 1 5 1410 1 1 11 TRP CD1 C -3.256 0.548 6.781 1.00 . A A . 11 TRP CD1 1 1 5 1411 1 1 11 TRP CD2 C -5.179 1.213 5.844 1.00 . A A . 11 TRP CD2 1 1 5 1412 1 1 11 TRP CE2 C -4.994 1.926 7.045 1.00 . A A . 11 TRP CE2 1 1 5 1413 1 1 11 TRP CE3 C -6.321 1.465 5.079 1.00 . A A . 11 TRP CE3 1 1 5 1414 1 1 11 TRP CG C -4.055 0.338 5.694 1.00 . A A . 11 TRP CG 1 1 5 1415 1 1 11 TRP CH2 C -7.019 3.099 6.729 1.00 . A A . 11 TRP CH2 1 1 5 1416 1 1 11 TRP CZ2 C -5.911 2.871 7.497 1.00 . A A . 11 TRP CZ2 1 1 5 1417 1 1 11 TRP CZ3 C -7.229 2.404 5.529 1.00 . A A . 11 TRP CZ3 1 1 5 1418 1 1 11 TRP H H -1.500 -1.444 3.910 1.00 . A A . 11 TRP H 1 1 5 1419 1 1 11 TRP HA H -3.102 -1.937 6.101 1.00 . A A . 11 TRP HA 1 1 5 1420 1 1 11 TRP HB3 H -4.750 -0.800 4.069 1.00 . A A . 11 TRP HB3 1 1 5 1421 1 1 11 TRP HD1 H -2.326 0.032 6.961 1.00 . A A . 11 TRP HD1 1 1 5 1422 1 1 11 TRP HE1 H -3.430 1.825 8.440 1.00 . A A . 11 TRP HE1 1 1 5 1423 1 1 11 TRP HE3 H -6.499 0.941 4.153 1.00 . A A . 11 TRP HE3 1 1 5 1424 1 1 11 TRP HH2 H -7.756 3.823 7.042 1.00 . A A . 11 TRP HH2 1 1 5 1425 1 1 11 TRP HZ2 H -5.763 3.415 8.419 1.00 . A A . 11 TRP HZ2 1 1 5 1426 1 1 11 TRP HZ3 H -8.118 2.613 4.952 1.00 . A A . 11 TRP HZ3 1 1 5 1427 1 1 11 TRP N N -1.910 -2.166 4.431 1.00 . A A . 11 TRP N 1 1 5 1428 1 1 11 TRP NE1 N -3.816 1.502 7.599 1.00 . A A . 11 TRP NE1 1 1 5 1429 1 1 11 TRP O O -3.905 -3.916 3.769 1.00 . A A . 11 TRP O 1 1 5 1430 1 1 12 HYP C C -7.039 -4.057 3.806 1.00 . A A . 12 HYP C 1 1 5 1431 1 1 12 HYP CA C -6.334 -4.194 5.145 1.00 . A A . 12 HYP CA 1 1 5 1432 1 1 12 HYP CB C -7.323 -3.980 6.304 1.00 . A A . 12 HYP CB 1 1 5 1433 1 1 12 HYP CD C -5.724 -2.239 6.425 1.00 . A A . 12 HYP CD 1 1 5 1434 1 1 12 HYP CG C -6.583 -3.123 7.266 1.00 . A A . 12 HYP CG 1 1 5 1435 1 1 12 HYP HA H -5.903 -5.182 5.219 1.00 . A A . 12 HYP HA 1 1 5 1436 1 1 12 HYP HB2 H -7.582 -4.931 6.743 1.00 . A A . 12 HYP HB2 1 1 5 1437 1 1 12 HYP HB3 H -8.213 -3.486 5.941 1.00 . A A . 12 HYP HB3 1 1 5 1438 1 1 12 HYP HD1 H -5.578 -4.892 7.612 1.00 . A A . 12 HYP HD1 1 1 5 1439 1 1 12 HYP HD22 H -6.629 -1.483 6.205 1.00 . A A . 12 HYP HD22 1 1 5 1440 1 1 12 HYP HD23 H -5.159 -1.855 7.139 1.00 . A A . 12 HYP HD23 1 1 5 1441 1 1 12 HYP HG H -7.466 -2.843 7.967 1.00 . A A . 12 HYP HG 1 1 5 1442 1 1 12 HYP N N -5.320 -3.156 5.360 1.00 . A A . 12 HYP N 1 1 5 1443 1 1 12 HYP O O -7.730 -3.074 3.540 1.00 . A A . 12 HYP O 1 1 5 1444 1 1 12 HYP OD1 O -5.802 -4.087 8.103 1.00 . A A . 12 HYP OD1 1 1 5 1445 1 1 13 GLY C C -6.574 -4.429 0.587 1.00 . A A . 13 GLY C 1 1 5 1446 1 1 13 GLY CA C -7.470 -5.045 1.642 1.00 . A A . 13 GLY CA 1 1 5 1447 1 1 13 GLY H H -6.291 -5.819 3.220 1.00 . A A . 13 GLY H 1 1 5 1448 1 1 13 GLY HA2 H -7.703 -6.059 1.353 1.00 . A A . 13 GLY HA2 1 1 5 1449 1 1 13 GLY HA3 H -8.387 -4.477 1.695 1.00 . A A . 13 GLY HA3 1 1 5 1450 1 1 13 GLY N N -6.853 -5.061 2.955 1.00 . A A . 13 GLY N 1 1 5 1451 1 1 13 GLY O O -7.032 -4.081 -0.502 1.00 . A A . 13 GLY O 1 1 5 1452 1 1 14 CYS C C -3.133 -4.637 -0.212 1.00 . A A . 14 CYS C 1 1 5 1453 1 1 14 CYS CA C -4.328 -3.710 -0.018 1.00 . A A . 14 CYS CA 1 1 5 1454 1 1 14 CYS CB C -3.853 -2.348 0.495 1.00 . A A . 14 CYS CB 1 1 5 1455 1 1 14 CYS H H -4.986 -4.586 1.793 1.00 . A A . 14 CYS H 1 1 5 1456 1 1 14 CYS HA H -4.822 -3.574 -0.968 1.00 . A A . 14 CYS HA 1 1 5 1457 1 1 14 CYS HB3 H -2.909 -2.107 0.029 1.00 . A A . 14 CYS HB3 1 1 5 1458 1 1 14 CYS N N -5.292 -4.291 0.909 1.00 . A A . 14 CYS N 1 1 5 1459 1 1 14 CYS O O -3.103 -5.748 0.318 1.00 . A A . 14 CYS O 1 1 5 1460 1 1 14 CYS SG S -5.008 -0.981 0.154 1.00 . A A . 14 CYS SG 1 1 5 1461 1 1 15 SER C C 0.286 -4.074 -1.287 1.00 . A A . 15 SER C 1 1 5 1462 1 1 15 SER CA C -0.952 -4.964 -1.245 1.00 . A A . 15 SER CA 1 1 5 1463 1 1 15 SER CB C -1.099 -5.718 -2.567 1.00 . A A . 15 SER CB 1 1 5 1464 1 1 15 SER H H -2.231 -3.280 -1.371 1.00 . A A . 15 SER H 1 1 5 1465 1 1 15 SER HA H -0.840 -5.678 -0.443 1.00 . A A . 15 SER HA 1 1 5 1466 1 1 15 SER HB3 H -1.090 -6.781 -2.375 1.00 . A A . 15 SER HB3 1 1 5 1467 1 1 15 SER HG H -2.758 -6.181 -3.500 1.00 . A A . 15 SER HG 1 1 5 1468 1 1 15 SER N N -2.148 -4.174 -0.976 1.00 . A A . 15 SER N 1 1 5 1469 1 1 15 SER O O 0.188 -2.858 -1.452 1.00 . A A . 15 SER O 1 1 5 1470 1 1 15 SER OG O -2.314 -5.380 -3.215 1.00 . A A . 15 SER OG 1 1 5 1471 1 1 16 CYS C C 3.365 -4.032 -2.537 1.00 . A A . 16 CYS C 1 1 5 1472 1 1 16 CYS CA C 2.715 -3.957 -1.160 1.00 . A A . 16 CYS CA 1 1 5 1473 1 1 16 CYS CB C 3.670 -4.514 -0.102 1.00 . A A . 16 CYS CB 1 1 5 1474 1 1 16 CYS H H 1.470 -5.662 -1.010 1.00 . A A . 16 CYS H 1 1 5 1475 1 1 16 CYS HA H 2.502 -2.924 -0.930 1.00 . A A . 16 CYS HA 1 1 5 1476 1 1 16 CYS HB3 H 3.855 -5.558 -0.309 1.00 . A A . 16 CYS HB3 1 1 5 1477 1 1 16 CYS N N 1.455 -4.690 -1.138 1.00 . A A . 16 CYS N 1 1 5 1478 1 1 16 CYS O O 3.760 -5.105 -2.992 1.00 . A A . 16 CYS O 1 1 5 1479 1 1 16 CYS SG S 5.282 -3.666 -0.036 1.00 . A A . 16 CYS SG 1 1 5 1480 1 1 17 TYR C C 4.999 -1.614 -4.645 1.00 . A A . 17 TYR C 1 1 5 1481 1 1 17 TYR CA C 4.070 -2.818 -4.525 1.00 . A A . 17 TYR CA 1 1 5 1482 1 1 17 TYR CB C 2.981 -2.745 -5.597 1.00 . A A . 17 TYR CB 1 1 5 1483 1 1 17 TYR CD1 C 4.101 -3.762 -7.619 1.00 . A A . 17 TYR CD1 1 1 5 1484 1 1 17 TYR CD2 C 3.458 -1.469 -7.723 1.00 . A A . 17 TYR CD2 1 1 5 1485 1 1 17 TYR CE1 C 4.598 -3.687 -8.906 1.00 . A A . 17 TYR CE1 1 1 5 1486 1 1 17 TYR CE2 C 3.950 -1.385 -9.011 1.00 . A A . 17 TYR CE2 1 1 5 1487 1 1 17 TYR CG C 3.524 -2.657 -7.006 1.00 . A A . 17 TYR CG 1 1 5 1488 1 1 17 TYR CZ C 4.520 -2.497 -9.598 1.00 . A A . 17 TYR CZ 1 1 5 1489 1 1 17 TYR H H 3.137 -2.061 -2.783 1.00 . A A . 17 TYR H 1 1 5 1490 1 1 17 TYR HA H 4.648 -3.719 -4.673 1.00 . A A . 17 TYR HA 1 1 5 1491 1 1 17 TYR HB3 H 2.371 -1.871 -5.420 1.00 . A A . 17 TYR HB3 1 1 5 1492 1 1 17 TYR HD1 H 4.161 -4.693 -7.074 1.00 . A A . 17 TYR HD1 1 1 5 1493 1 1 17 TYR HD2 H 3.011 -0.601 -7.261 1.00 . A A . 17 TYR HD2 1 1 5 1494 1 1 17 TYR HE1 H 5.044 -4.557 -9.366 1.00 . A A . 17 TYR HE1 1 1 5 1495 1 1 17 TYR HE2 H 3.890 -0.453 -9.553 1.00 . A A . 17 TYR HE2 1 1 5 1496 1 1 17 TYR HH H 5.835 -2.910 -10.938 1.00 . A A . 17 TYR HH 1 1 5 1497 1 1 17 TYR N N 3.471 -2.883 -3.198 1.00 . A A . 17 TYR N 1 1 5 1498 1 1 17 TYR O O 4.627 -0.492 -4.300 1.00 . A A . 17 TYR O 1 1 5 1499 1 1 17 TYR OH O 5.013 -2.416 -10.880 1.00 . A A . 17 TYR OH 1 1 5 1500 1 1 18 ALA C C 7.625 -0.224 -3.957 1.00 . A A . 18 ALA C 1 1 5 1501 1 1 18 ALA CA C 7.191 -0.790 -5.306 1.00 . A A . 18 ALA CA 1 1 5 1502 1 1 18 ALA CB C 6.627 0.314 -6.187 1.00 . A A . 18 ALA CB 1 1 5 1503 1 1 18 ALA H H 6.448 -2.770 -5.394 1.00 . A A . 18 ALA H 1 1 5 1504 1 1 18 ALA HA H 8.054 -1.208 -5.803 1.00 . A A . 18 ALA HA 1 1 5 1505 1 1 18 ALA HB1 H 7.440 0.849 -6.656 1.00 . A A . 18 ALA HB1 1 1 5 1506 1 1 18 ALA HB2 H 5.995 -0.121 -6.947 1.00 . A A . 18 ALA HB2 1 1 5 1507 1 1 18 ALA HB3 H 6.048 0.996 -5.583 1.00 . A A . 18 ALA HB3 1 1 5 1508 1 1 18 ALA N N 6.209 -1.855 -5.137 1.00 . A A . 18 ALA N 1 1 5 1509 1 1 18 ALA O O 7.692 0.992 -3.777 1.00 . A A . 18 ALA O 1 1 5 1510 1 1 19 ARG C C 7.337 0.270 -1.067 1.00 . A A . 19 ARG C 1 1 5 1511 1 1 19 ARG CA C 8.340 -0.701 -1.681 1.00 . A A . 19 ARG CA 1 1 5 1512 1 1 19 ARG CB C 9.724 -0.052 -1.741 1.00 . A A . 19 ARG CB 1 1 5 1513 1 1 19 ARG CD C 11.965 0.269 -0.650 1.00 . A A . 19 ARG CD 1 1 5 1514 1 1 19 ARG CG C 10.662 -0.515 -0.638 1.00 . A A . 19 ARG CG 1 1 5 1515 1 1 19 ARG CZ C 12.744 2.565 -0.246 1.00 . A A . 19 ARG CZ 1 1 5 1516 1 1 19 ARG H H 7.843 -2.069 -3.218 1.00 . A A . 19 ARG H 1 1 5 1517 1 1 19 ARG HA H 8.394 -1.584 -1.062 1.00 . A A . 19 ARG HA 1 1 5 1518 1 1 19 ARG HB3 H 9.611 1.018 -1.661 1.00 . A A . 19 ARG HB3 1 1 5 1519 1 1 19 ARG HD3 H 12.392 0.217 -1.640 1.00 . A A . 19 ARG HD3 1 1 5 1520 1 1 19 ARG HE H 10.853 1.956 -0.075 1.00 . A A . 19 ARG HE 1 1 5 1521 1 1 19 ARG HG3 H 10.882 -1.563 -0.782 1.00 . A A . 19 ARG HG3 1 1 5 1522 1 1 19 ARG HH11 H 14.189 1.261 -0.788 1.00 . A A . 19 ARG HH11 1 1 5 1523 1 1 19 ARG HH12 H 14.723 2.884 -0.501 1.00 . A A . 19 ARG HH12 1 1 5 1524 1 1 19 ARG HH21 H 11.545 4.097 0.305 1.00 . A A . 19 ARG HH21 1 1 5 1525 1 1 19 ARG HH22 H 13.220 4.495 0.122 1.00 . A A . 19 ARG HH22 1 1 5 1526 1 1 19 ARG N N 7.917 -1.113 -3.013 1.00 . A A . 19 ARG N 1 1 5 1527 1 1 19 ARG NE N 11.764 1.670 -0.292 1.00 . A A . 19 ARG NE 1 1 5 1528 1 1 19 ARG NH1 N 13.987 2.207 -0.535 1.00 . A A . 19 ARG NH1 1 1 5 1529 1 1 19 ARG NH2 N 12.481 3.822 0.088 1.00 . A A . 19 ARG NH2 1 1 5 1530 1 1 19 ARG O O 7.678 1.056 -0.182 1.00 . A A . 19 ARG O 1 1 5 1531 1 1 20 THR C C 3.678 0.424 -1.155 1.00 . A A . 20 THR C 1 1 5 1532 1 1 20 THR CA C 5.045 1.089 -1.044 1.00 . A A . 20 THR CA 1 1 5 1533 1 1 20 THR CB C 5.017 2.426 -1.807 1.00 . A A . 20 THR CB 1 1 5 1534 1 1 20 THR CG2 C 4.406 3.525 -0.951 1.00 . A A . 20 THR CG2 1 1 5 1535 1 1 20 THR H H 5.887 -0.433 -2.249 1.00 . A A . 20 THR H 1 1 5 1536 1 1 20 THR HA H 5.250 1.296 -0.004 1.00 . A A . 20 THR HA 1 1 5 1537 1 1 20 THR HB H 4.412 2.304 -2.695 1.00 . A A . 20 THR HB 1 1 5 1538 1 1 20 THR HG1 H 6.311 3.302 -3.010 1.00 . A A . 20 THR HG1 1 1 5 1539 1 1 20 THR HG21 H 4.717 4.488 -1.327 1.00 . A A . 20 THR HG21 1 1 5 1540 1 1 20 THR HG22 H 4.740 3.414 0.070 1.00 . A A . 20 THR HG22 1 1 5 1541 1 1 20 THR HG23 H 3.329 3.454 -0.988 1.00 . A A . 20 THR HG23 1 1 5 1542 1 1 20 THR N N 6.097 0.214 -1.544 1.00 . A A . 20 THR N 1 1 5 1543 1 1 20 THR O O 3.515 -0.571 -1.862 1.00 . A A . 20 THR O 1 1 5 1544 1 1 20 THR OG1 O 6.345 2.798 -2.194 1.00 . A A . 20 THR OG1 1 1 5 1545 1 1 21 CYS C C 0.485 1.161 -1.512 1.00 . A A . 21 CYS C 1 1 5 1546 1 1 21 CYS CA C 1.341 0.442 -0.473 1.00 . A A . 21 CYS CA 1 1 5 1547 1 1 21 CYS CB C 0.698 0.570 0.909 1.00 . A A . 21 CYS CB 1 1 5 1548 1 1 21 CYS H H 2.886 1.773 0.093 1.00 . A A . 21 CYS H 1 1 5 1549 1 1 21 CYS HA H 1.403 -0.603 -0.736 1.00 . A A . 21 CYS HA 1 1 5 1550 1 1 21 CYS HB3 H -0.351 0.332 0.833 1.00 . A A . 21 CYS HB3 1 1 5 1551 1 1 21 CYS N N 2.696 0.981 -0.453 1.00 . A A . 21 CYS N 1 1 5 1552 1 1 21 CYS O O 0.807 2.271 -1.937 1.00 . A A . 21 CYS O 1 1 5 1553 1 1 21 CYS SG S 1.426 -0.523 2.172 1.00 . A A . 21 CYS SG 1 1 5 1554 1 1 22 PHE C C -2.890 0.454 -2.824 1.00 . A A . 22 PHE C 1 1 5 1555 1 1 22 PHE CA C -1.508 1.096 -2.907 1.00 . A A . 22 PHE CA 1 1 5 1556 1 1 22 PHE CB C -0.935 0.920 -4.315 1.00 . A A . 22 PHE CB 1 1 5 1557 1 1 22 PHE CD1 C -0.488 3.285 -5.027 1.00 . A A . 22 PHE CD1 1 1 5 1558 1 1 22 PHE CD2 C -2.100 2.021 -6.246 1.00 . A A . 22 PHE CD2 1 1 5 1559 1 1 22 PHE CE1 C -0.710 4.371 -5.852 1.00 . A A . 22 PHE CE1 1 1 5 1560 1 1 22 PHE CE2 C -2.327 3.103 -7.075 1.00 . A A . 22 PHE CE2 1 1 5 1561 1 1 22 PHE CG C -1.179 2.098 -5.214 1.00 . A A . 22 PHE CG 1 1 5 1562 1 1 22 PHE CZ C -1.631 4.280 -6.878 1.00 . A A . 22 PHE CZ 1 1 5 1563 1 1 22 PHE H H -0.809 -0.363 -1.543 1.00 . A A . 22 PHE H 1 1 5 1564 1 1 22 PHE HA H -1.601 2.151 -2.696 1.00 . A A . 22 PHE HA 1 1 5 1565 1 1 22 PHE HB3 H -1.386 0.053 -4.773 1.00 . A A . 22 PHE HB3 1 1 5 1566 1 1 22 PHE HD1 H 0.233 3.357 -4.225 1.00 . A A . 22 PHE HD1 1 1 5 1567 1 1 22 PHE HD2 H -2.646 1.101 -6.401 1.00 . A A . 22 PHE HD2 1 1 5 1568 1 1 22 PHE HE1 H -0.165 5.290 -5.695 1.00 . A A . 22 PHE HE1 1 1 5 1569 1 1 22 PHE HE2 H -3.047 3.029 -7.875 1.00 . A A . 22 PHE HE2 1 1 5 1570 1 1 22 PHE HZ H -1.806 5.127 -7.524 1.00 . A A . 22 PHE HZ 1 1 5 1571 1 1 22 PHE N N -0.606 0.520 -1.918 1.00 . A A . 22 PHE N 1 1 5 1572 1 1 22 PHE O O -3.014 -0.744 -2.569 1.00 . A A . 22 PHE O 1 1 5 1573 1 1 23 ARG C C -5.993 0.959 -4.335 1.00 . A A . 23 ARG C 1 1 5 1574 1 1 23 ARG CA C -5.297 0.770 -2.990 1.00 . A A . 23 ARG CA 1 1 5 1575 1 1 23 ARG CB C -6.079 1.497 -1.893 1.00 . A A . 23 ARG CB 1 1 5 1576 1 1 23 ARG CD C -7.946 3.067 -2.495 1.00 . A A . 23 ARG CD 1 1 5 1577 1 1 23 ARG CG C -6.451 2.926 -2.255 1.00 . A A . 23 ARG CG 1 1 5 1578 1 1 23 ARG CZ C -9.944 3.853 -1.298 1.00 . A A . 23 ARG CZ 1 1 5 1579 1 1 23 ARG H H -3.760 2.205 -3.241 1.00 . A A . 23 ARG H 1 1 5 1580 1 1 23 ARG HA H -5.265 -0.284 -2.759 1.00 . A A . 23 ARG HA 1 1 5 1581 1 1 23 ARG HB3 H -5.478 1.521 -0.996 1.00 . A A . 23 ARG HB3 1 1 5 1582 1 1 23 ARG HD3 H -8.355 2.093 -2.718 1.00 . A A . 23 ARG HD3 1 1 5 1583 1 1 23 ARG HE H -8.099 3.820 -0.539 1.00 . A A . 23 ARG HE 1 1 5 1584 1 1 23 ARG HG3 H -5.922 3.209 -3.153 1.00 . A A . 23 ARG HG3 1 1 5 1585 1 1 23 ARG HH11 H -10.281 3.208 -3.182 1.00 . A A . 23 ARG HH11 1 1 5 1586 1 1 23 ARG HH12 H -11.681 3.765 -2.326 1.00 . A A . 23 ARG HH12 1 1 5 1587 1 1 23 ARG HH21 H -9.934 4.556 0.598 1.00 . A A . 23 ARG HH21 1 1 5 1588 1 1 23 ARG HH22 H -11.483 4.532 -0.177 1.00 . A A . 23 ARG HH22 1 1 5 1589 1 1 23 ARG N N -3.924 1.259 -3.041 1.00 . A A . 23 ARG N 1 1 5 1590 1 1 23 ARG NE N -8.637 3.617 -1.332 1.00 . A A . 23 ARG NE 1 1 5 1591 1 1 23 ARG NH1 N -10.697 3.588 -2.355 1.00 . A A . 23 ARG NH1 1 1 5 1592 1 1 23 ARG NH2 N -10.499 4.355 -0.202 1.00 . A A . 23 ARG NH2 1 1 5 1593 1 1 23 ARG O O -7.220 1.012 -4.408 1.00 . A A . 23 ARG O 1 1 5 1594 1 1 24 ASP C C -6.429 2.597 -6.868 1.00 . A A . 24 ASP C 1 1 5 1595 1 1 24 ASP CA C -5.738 1.243 -6.738 1.00 . A A . 24 ASP CA 1 1 5 1596 1 1 24 ASP CB C -6.722 0.121 -7.073 1.00 . A A . 24 ASP CB 1 1 5 1597 1 1 24 ASP CG C -6.163 -0.857 -8.088 1.00 . A A . 24 ASP CG 1 1 5 1598 1 1 24 ASP H H -4.228 1.011 -5.273 1.00 . A A . 24 ASP H 1 1 5 1599 1 1 24 ASP HA H -4.914 1.206 -7.434 1.00 . A A . 24 ASP HA 1 1 5 1600 1 1 24 ASP HB3 H -7.627 0.552 -7.475 1.00 . A A . 24 ASP HB3 1 1 5 1601 1 1 24 ASP N N -5.199 1.060 -5.396 1.00 . A A . 24 ASP N 1 1 5 1602 1 1 24 ASP O O -7.279 2.953 -6.053 1.00 . A A . 24 ASP O 1 1 5 1603 1 1 24 ASP OD1 O -6.307 -0.599 -9.301 1.00 . A A . 24 ASP OD1 1 1 5 1604 1 1 24 ASP OD2 O -5.582 -1.880 -7.667 1.00 . A A . 24 ASP OD2 1 1 5 1605 1 1 25 GLY C C -5.891 5.761 -7.403 1.00 . A A . 25 GLY C 1 1 5 1606 1 1 25 GLY CA C -6.648 4.658 -8.114 1.00 . A A . 25 GLY CA 1 1 5 1607 1 1 25 GLY H H -5.372 3.015 -8.516 1.00 . A A . 25 GLY H 1 1 5 1608 1 1 25 GLY HA2 H -6.657 4.866 -9.173 1.00 . A A . 25 GLY HA2 1 1 5 1609 1 1 25 GLY HA3 H -7.665 4.644 -7.752 1.00 . A A . 25 GLY HA3 1 1 5 1610 1 1 25 GLY N N -6.055 3.350 -7.898 1.00 . A A . 25 GLY N 1 1 5 1611 1 1 25 GLY O O -5.618 6.812 -7.985 1.00 . A A . 25 GLY O 1 1 5 1612 1 1 26 LEU C C -3.877 5.826 -4.367 1.00 . A A . 26 LEU C 1 1 5 1613 1 1 26 LEU CA C -4.824 6.510 -5.347 1.00 . A A . 26 LEU CA 1 1 5 1614 1 1 26 LEU CB C -5.803 7.408 -4.587 1.00 . A A . 26 LEU CB 1 1 5 1615 1 1 26 LEU CD1 C -8.094 8.414 -4.439 1.00 . A A . 26 LEU CD1 1 1 5 1616 1 1 26 LEU CD2 C -6.599 8.993 -6.358 1.00 . A A . 26 LEU CD2 1 1 5 1617 1 1 26 LEU CG C -7.013 7.904 -5.379 1.00 . A A . 26 LEU CG 1 1 5 1618 1 1 26 LEU H H -5.798 4.671 -5.730 1.00 . A A . 26 LEU H 1 1 5 1619 1 1 26 LEU HA H -4.244 7.118 -6.025 1.00 . A A . 26 LEU HA 1 1 5 1620 1 1 26 LEU HB3 H -5.256 8.273 -4.239 1.00 . A A . 26 LEU HB3 1 1 5 1621 1 1 26 LEU HD11 H -8.232 7.708 -3.634 1.00 . A A . 26 LEU HD11 1 1 5 1622 1 1 26 LEU HD12 H -9.020 8.525 -4.983 1.00 . A A . 26 LEU HD12 1 1 5 1623 1 1 26 LEU HD13 H -7.797 9.370 -4.034 1.00 . A A . 26 LEU HD13 1 1 5 1624 1 1 26 LEU HD21 H -7.128 8.859 -7.290 1.00 . A A . 26 LEU HD21 1 1 5 1625 1 1 26 LEU HD22 H -5.535 8.932 -6.535 1.00 . A A . 26 LEU HD22 1 1 5 1626 1 1 26 LEU HD23 H -6.839 9.961 -5.943 1.00 . A A . 26 LEU HD23 1 1 5 1627 1 1 26 LEU HG H -7.425 7.081 -5.947 1.00 . A A . 26 LEU HG 1 1 5 1628 1 1 26 LEU N N -5.553 5.527 -6.140 1.00 . A A . 26 LEU N 1 1 5 1629 1 1 26 LEU O O -4.099 4.693 -3.940 1.00 . A A . 26 LEU O 1 1 5 1630 1 1 27 PRO C C -2.332 5.906 -1.639 1.00 . A A . 27 PRO C 1 1 5 1631 1 1 27 PRO CA C -1.795 6.012 -3.062 1.00 . A A . 27 PRO CA 1 1 5 1632 1 1 27 PRO CB C -0.671 7.049 -3.134 1.00 . A A . 27 PRO CB 1 1 5 1633 1 1 27 PRO CD C -2.469 7.887 -4.468 1.00 . A A . 27 PRO CD 1 1 5 1634 1 1 27 PRO CG C -1.344 8.307 -3.562 1.00 . A A . 27 PRO CG 1 1 5 1635 1 1 27 PRO HA H -1.419 5.049 -3.375 1.00 . A A . 27 PRO HA 1 1 5 1636 1 1 27 PRO HB3 H 0.069 6.733 -3.852 1.00 . A A . 27 PRO HB3 1 1 5 1637 1 1 27 PRO HD3 H -2.140 7.870 -5.496 1.00 . A A . 27 PRO HD3 1 1 5 1638 1 1 27 PRO HG3 H -0.646 8.932 -4.099 1.00 . A A . 27 PRO HG3 1 1 5 1639 1 1 27 PRO N N -2.797 6.530 -3.998 1.00 . A A . 27 PRO N 1 1 5 1640 1 1 27 PRO O O -1.565 5.863 -0.677 1.00 . A A . 27 PRO O 1 1 6 1641 1 1 1 SER C C -4.696 4.859 0.914 1.00 . A A . 1 SER C 1 1 6 1642 1 1 1 SER CA C -4.614 6.038 -0.051 1.00 . A A . 1 SER CA 1 1 6 1643 1 1 1 SER CB C -6.021 6.512 -0.417 1.00 . A A . 1 SER CB 1 1 6 1644 1 1 1 SER H1 H -4.288 5.072 -1.906 1.00 . A A . 1 SER H1 1 1 6 1645 1 1 1 SER HA H -4.084 6.847 0.432 1.00 . A A . 1 SER HA 1 1 6 1646 1 1 1 SER HB3 H -5.987 7.557 -0.688 1.00 . A A . 1 SER HB3 1 1 6 1647 1 1 1 SER HG H -7.394 5.406 -1.271 1.00 . A A . 1 SER HG 1 1 6 1648 1 1 1 SER N N -3.873 5.674 -1.254 1.00 . A A . 1 SER N 1 1 6 1649 1 1 1 SER O O -5.704 4.668 1.595 1.00 . A A . 1 SER O 1 1 6 1650 1 1 1 SER OG O -6.540 5.773 -1.510 1.00 . A A . 1 SER OG 1 1 6 1651 1 1 2 CYS C C -2.336 2.953 2.735 1.00 . A A . 2 CYS C 1 1 6 1652 1 1 2 CYS CA C -3.577 2.909 1.847 1.00 . A A . 2 CYS CA 1 1 6 1653 1 1 2 CYS CB C -3.585 1.619 1.025 1.00 . A A . 2 CYS CB 1 1 6 1654 1 1 2 CYS H H -2.854 4.274 0.400 1.00 . A A . 2 CYS H 1 1 6 1655 1 1 2 CYS HA H -4.455 2.930 2.475 1.00 . A A . 2 CYS HA 1 1 6 1656 1 1 2 CYS HB3 H -2.608 1.162 1.078 1.00 . A A . 2 CYS HB3 1 1 6 1657 1 1 2 CYS N N -3.628 4.070 0.968 1.00 . A A . 2 CYS N 1 1 6 1658 1 1 2 CYS O O -1.214 3.078 2.245 1.00 . A A . 2 CYS O 1 1 6 1659 1 1 2 CYS SG S -4.806 0.388 1.584 1.00 . A A . 2 CYS SG 1 1 6 1660 1 1 3 GLY C C -0.787 1.518 5.149 1.00 . A A . 3 GLY C 1 1 6 1661 1 1 3 GLY CA C -1.438 2.877 4.978 1.00 . A A . 3 GLY CA 1 1 6 1662 1 1 3 GLY H H -3.464 2.750 4.376 1.00 . A A . 3 GLY H 1 1 6 1663 1 1 3 GLY HA2 H -0.696 3.576 4.619 1.00 . A A . 3 GLY HA2 1 1 6 1664 1 1 3 GLY HA3 H -1.799 3.213 5.938 1.00 . A A . 3 GLY HA3 1 1 6 1665 1 1 3 GLY N N -2.547 2.848 4.043 1.00 . A A . 3 GLY N 1 1 6 1666 1 1 3 GLY O O -0.686 0.747 4.196 1.00 . A A . 3 GLY O 1 1 6 1667 1 1 4 GLY C C 1.752 -0.066 6.224 1.00 . A A . 4 GLY C 1 1 6 1668 1 1 4 GLY CA C 0.294 -0.049 6.639 1.00 . A A . 4 GLY CA 1 1 6 1669 1 1 4 GLY H H -0.455 1.879 7.090 1.00 . A A . 4 GLY H 1 1 6 1670 1 1 4 GLY HA2 H 0.228 -0.256 7.696 1.00 . A A . 4 GLY HA2 1 1 6 1671 1 1 4 GLY HA3 H -0.230 -0.824 6.098 1.00 . A A . 4 GLY HA3 1 1 6 1672 1 1 4 GLY N N -0.345 1.225 6.369 1.00 . A A . 4 GLY N 1 1 6 1673 1 1 4 GLY O O 2.137 0.588 5.255 1.00 . A A . 4 GLY O 1 1 6 1674 1 1 5 SER C C 4.281 -2.100 5.757 1.00 . A A . 5 SER C 1 1 6 1675 1 1 5 SER CA C 3.992 -0.910 6.668 1.00 . A A . 5 SER CA 1 1 6 1676 1 1 5 SER CB C 4.793 -1.039 7.965 1.00 . A A . 5 SER CB 1 1 6 1677 1 1 5 SER H H 2.200 -1.314 7.721 1.00 . A A . 5 SER H 1 1 6 1678 1 1 5 SER HA H 4.287 -0.003 6.160 1.00 . A A . 5 SER HA 1 1 6 1679 1 1 5 SER HB3 H 5.305 -0.107 8.162 1.00 . A A . 5 SER HB3 1 1 6 1680 1 1 5 SER HG H 3.745 -2.275 9.066 1.00 . A A . 5 SER HG 1 1 6 1681 1 1 5 SER N N 2.567 -0.815 6.961 1.00 . A A . 5 SER N 1 1 6 1682 1 1 5 SER O O 3.734 -3.187 5.944 1.00 . A A . 5 SER O 1 1 6 1683 1 1 5 SER OG O 3.945 -1.335 9.060 1.00 . A A . 5 SER OG 1 1 6 1684 1 1 6 CYS C C 6.342 -4.018 4.518 1.00 . A A . 6 CYS C 1 1 6 1685 1 1 6 CYS CA C 5.510 -2.938 3.831 1.00 . A A . 6 CYS CA 1 1 6 1686 1 1 6 CYS CB C 6.290 -2.351 2.653 1.00 . A A . 6 CYS CB 1 1 6 1687 1 1 6 CYS H H 5.551 -0.998 4.674 1.00 . A A . 6 CYS H 1 1 6 1688 1 1 6 CYS HA H 4.599 -3.383 3.462 1.00 . A A . 6 CYS HA 1 1 6 1689 1 1 6 CYS HB3 H 6.985 -3.092 2.285 1.00 . A A . 6 CYS HB3 1 1 6 1690 1 1 6 CYS N N 5.147 -1.886 4.772 1.00 . A A . 6 CYS N 1 1 6 1691 1 1 6 CYS O O 6.396 -5.160 4.061 1.00 . A A . 6 CYS O 1 1 6 1692 1 1 6 CYS SG S 5.245 -1.827 1.256 1.00 . A A . 6 CYS SG 1 1 6 1693 1 1 7 PHE C C 6.960 -5.479 7.259 1.00 . A A . 7 PHE C 1 1 6 1694 1 1 7 PHE CA C 7.818 -4.585 6.369 1.00 . A A . 7 PHE CA 1 1 6 1695 1 1 7 PHE CB C 8.838 -3.826 7.220 1.00 . A A . 7 PHE CB 1 1 6 1696 1 1 7 PHE CD1 C 10.831 -5.297 6.817 1.00 . A A . 7 PHE CD1 1 1 6 1697 1 1 7 PHE CD2 C 10.164 -4.884 9.069 1.00 . A A . 7 PHE CD2 1 1 6 1698 1 1 7 PHE CE1 C 11.869 -6.090 7.266 1.00 . A A . 7 PHE CE1 1 1 6 1699 1 1 7 PHE CE2 C 11.201 -5.676 9.524 1.00 . A A . 7 PHE CE2 1 1 6 1700 1 1 7 PHE CG C 9.966 -4.686 7.712 1.00 . A A . 7 PHE CG 1 1 6 1701 1 1 7 PHE CZ C 12.056 -6.278 8.622 1.00 . A A . 7 PHE CZ 1 1 6 1702 1 1 7 PHE H H 6.906 -2.725 5.934 1.00 . A A . 7 PHE H 1 1 6 1703 1 1 7 PHE HA H 8.344 -5.203 5.659 1.00 . A A . 7 PHE HA 1 1 6 1704 1 1 7 PHE HB3 H 8.337 -3.409 8.081 1.00 . A A . 7 PHE HB3 1 1 6 1705 1 1 7 PHE HD1 H 10.686 -5.150 5.756 1.00 . A A . 7 PHE HD1 1 1 6 1706 1 1 7 PHE HD2 H 9.496 -4.413 9.776 1.00 . A A . 7 PHE HD2 1 1 6 1707 1 1 7 PHE HE1 H 12.536 -6.560 6.559 1.00 . A A . 7 PHE HE1 1 1 6 1708 1 1 7 PHE HE2 H 11.345 -5.821 10.585 1.00 . A A . 7 PHE HE2 1 1 6 1709 1 1 7 PHE HZ H 12.866 -6.898 8.976 1.00 . A A . 7 PHE HZ 1 1 6 1710 1 1 7 PHE N N 6.988 -3.649 5.619 1.00 . A A . 7 PHE N 1 1 6 1711 1 1 7 PHE O O 7.412 -6.522 7.730 1.00 . A A . 7 PHE O 1 1 6 1712 1 1 8 GLY C C 3.452 -6.017 7.684 1.00 . A A . 8 GLY C 1 1 6 1713 1 1 8 GLY CA C 4.816 -5.834 8.320 1.00 . A A . 8 GLY CA 1 1 6 1714 1 1 8 GLY H H 5.412 -4.221 7.085 1.00 . A A . 8 GLY H 1 1 6 1715 1 1 8 GLY HA2 H 5.252 -6.806 8.497 1.00 . A A . 8 GLY HA2 1 1 6 1716 1 1 8 GLY HA3 H 4.695 -5.328 9.265 1.00 . A A . 8 GLY HA3 1 1 6 1717 1 1 8 GLY N N 5.718 -5.062 7.487 1.00 . A A . 8 GLY N 1 1 6 1718 1 1 8 GLY O O 2.458 -6.224 8.378 1.00 . A A . 8 GLY O 1 1 6 1719 1 1 9 GLY C C 1.421 -4.778 5.455 1.00 . A A . 9 GLY C 1 1 6 1720 1 1 9 GLY CA C 2.145 -6.095 5.651 1.00 . A A . 9 GLY CA 1 1 6 1721 1 1 9 GLY H H 4.228 -5.770 5.855 1.00 . A A . 9 GLY H 1 1 6 1722 1 1 9 GLY HA2 H 2.341 -6.534 4.683 1.00 . A A . 9 GLY HA2 1 1 6 1723 1 1 9 GLY HA3 H 1.510 -6.762 6.215 1.00 . A A . 9 GLY HA3 1 1 6 1724 1 1 9 GLY N N 3.403 -5.937 6.357 1.00 . A A . 9 GLY N 1 1 6 1725 1 1 9 GLY O O 1.305 -3.980 6.386 1.00 . A A . 9 GLY O 1 1 6 1726 1 1 10 CYS C C -1.149 -3.294 4.601 1.00 . A A . 10 CYS C 1 1 6 1727 1 1 10 CYS CA C 0.217 -3.318 3.925 1.00 . A A . 10 CYS CA 1 1 6 1728 1 1 10 CYS CB C 0.051 -3.175 2.410 1.00 . A A . 10 CYS CB 1 1 6 1729 1 1 10 CYS H H 1.057 -5.222 3.539 1.00 . A A . 10 CYS H 1 1 6 1730 1 1 10 CYS HA H 0.803 -2.489 4.293 1.00 . A A . 10 CYS HA 1 1 6 1731 1 1 10 CYS HB3 H -0.870 -2.650 2.204 1.00 . A A . 10 CYS HB3 1 1 6 1732 1 1 10 CYS N N 0.933 -4.548 4.241 1.00 . A A . 10 CYS N 1 1 6 1733 1 1 10 CYS O O -1.561 -4.271 5.227 1.00 . A A . 10 CYS O 1 1 6 1734 1 1 10 CYS SG S 1.403 -2.265 1.596 1.00 . A A . 10 CYS SG 1 1 6 1735 1 1 11 TRP C C -4.076 -3.184 4.691 1.00 . A A . 11 TRP C 1 1 6 1736 1 1 11 TRP CA C -3.168 -2.020 5.072 1.00 . A A . 11 TRP CA 1 1 6 1737 1 1 11 TRP CB C -3.802 -0.698 4.634 1.00 . A A . 11 TRP CB 1 1 6 1738 1 1 11 TRP CD1 C -3.290 0.458 6.862 1.00 . A A . 11 TRP CD1 1 1 6 1739 1 1 11 TRP CD2 C -5.237 1.063 5.937 1.00 . A A . 11 TRP CD2 1 1 6 1740 1 1 11 TRP CE2 C -5.078 1.765 7.147 1.00 . A A . 11 TRP CE2 1 1 6 1741 1 1 11 TRP CE3 C -6.390 1.283 5.178 1.00 . A A . 11 TRP CE3 1 1 6 1742 1 1 11 TRP CG C -4.083 0.233 5.773 1.00 . A A . 11 TRP CG 1 1 6 1743 1 1 11 TRP CH2 C -7.147 2.865 6.851 1.00 . A A . 11 TRP CH2 1 1 6 1744 1 1 11 TRP CZ2 C -6.029 2.669 7.615 1.00 . A A . 11 TRP CZ2 1 1 6 1745 1 1 11 TRP CZ3 C -7.332 2.180 5.644 1.00 . A A . 11 TRP CZ3 1 1 6 1746 1 1 11 TRP H H -1.466 -1.427 3.962 1.00 . A A . 11 TRP H 1 1 6 1747 1 1 11 TRP HA H -3.046 -2.010 6.145 1.00 . A A . 11 TRP HA 1 1 6 1748 1 1 11 TRP HB3 H -4.736 -0.905 4.133 1.00 . A A . 11 TRP HB3 1 1 6 1749 1 1 11 TRP HD1 H -2.340 -0.025 7.033 1.00 . A A . 11 TRP HD1 1 1 6 1750 1 1 11 TRP HE1 H -3.509 1.704 8.539 1.00 . A A . 11 TRP HE1 1 1 6 1751 1 1 11 TRP HE3 H -6.551 0.765 4.244 1.00 . A A . 11 TRP HE3 1 1 6 1752 1 1 11 TRP HH2 H -7.910 3.557 7.176 1.00 . A A . 11 TRP HH2 1 1 6 1753 1 1 11 TRP HZ2 H -5.900 3.205 8.544 1.00 . A A . 11 TRP HZ2 1 1 6 1754 1 1 11 TRP HZ3 H -8.230 2.363 5.070 1.00 . A A . 11 TRP HZ3 1 1 6 1755 1 1 11 TRP N N -1.847 -2.171 4.473 1.00 . A A . 11 TRP N 1 1 6 1756 1 1 11 TRP NE1 N -3.882 1.377 7.694 1.00 . A A . 11 TRP NE1 1 1 6 1757 1 1 11 TRP O O -3.778 -3.983 3.786 1.00 . A A . 11 TRP O 1 1 6 1758 1 1 12 HYP C C -6.905 -4.240 3.821 1.00 . A A . 12 HYP C 1 1 6 1759 1 1 12 HYP CA C -6.193 -4.371 5.159 1.00 . A A . 12 HYP CA 1 1 6 1760 1 1 12 HYP CB C -7.189 -4.209 6.321 1.00 . A A . 12 HYP CB 1 1 6 1761 1 1 12 HYP CD C -5.655 -2.414 6.467 1.00 . A A . 12 HYP CD 1 1 6 1762 1 1 12 HYP CG C -6.481 -3.341 7.295 1.00 . A A . 12 HYP CG 1 1 6 1763 1 1 12 HYP HA H -5.726 -5.343 5.218 1.00 . A A . 12 HYP HA 1 1 6 1764 1 1 12 HYP HB2 H -7.411 -5.177 6.745 1.00 . A A . 12 HYP HB2 1 1 6 1765 1 1 12 HYP HB3 H -8.097 -3.744 5.965 1.00 . A A . 12 HYP HB3 1 1 6 1766 1 1 12 HYP HD1 H -5.410 -5.077 7.614 1.00 . A A . 12 HYP HD1 1 1 6 1767 1 1 12 HYP HD22 H -6.586 -1.689 6.258 1.00 . A A . 12 HYP HD22 1 1 6 1768 1 1 12 HYP HD23 H -5.105 -2.020 7.186 1.00 . A A . 12 HYP HD23 1 1 6 1769 1 1 12 HYP HG H -7.372 -3.104 8.001 1.00 . A A . 12 HYP HG 1 1 6 1770 1 1 12 HYP N N -5.218 -3.300 5.388 1.00 . A A . 12 HYP N 1 1 6 1771 1 1 12 HYP O O -7.632 -3.280 3.571 1.00 . A A . 12 HYP O 1 1 6 1772 1 1 12 HYP OD1 O -5.662 -4.288 8.117 1.00 . A A . 12 HYP OD1 1 1 6 1773 1 1 13 GLY C C -6.429 -4.547 0.598 1.00 . A A . 13 GLY C 1 1 6 1774 1 1 13 GLY CA C -7.302 -5.212 1.643 1.00 . A A . 13 GLY CA 1 1 6 1775 1 1 13 GLY H H -6.093 -5.964 3.211 1.00 . A A . 13 GLY H 1 1 6 1776 1 1 13 GLY HA2 H -7.497 -6.229 1.340 1.00 . A A . 13 GLY HA2 1 1 6 1777 1 1 13 GLY HA3 H -8.239 -4.678 1.705 1.00 . A A . 13 GLY HA3 1 1 6 1778 1 1 13 GLY N N -6.682 -5.224 2.956 1.00 . A A . 13 GLY N 1 1 6 1779 1 1 13 GLY O O -6.901 -4.199 -0.485 1.00 . A A . 13 GLY O 1 1 6 1780 1 1 14 CYS C C -2.984 -4.619 -0.209 1.00 . A A . 14 CYS C 1 1 6 1781 1 1 14 CYS CA C -4.212 -3.738 0.002 1.00 . A A . 14 CYS CA 1 1 6 1782 1 1 14 CYS CB C -3.785 -2.370 0.535 1.00 . A A . 14 CYS CB 1 1 6 1783 1 1 14 CYS H H -4.835 -4.667 1.799 1.00 . A A . 14 CYS H 1 1 6 1784 1 1 14 CYS HA H -4.711 -3.606 -0.946 1.00 . A A . 14 CYS HA 1 1 6 1785 1 1 14 CYS HB3 H -2.850 -2.087 0.074 1.00 . A A . 14 CYS HB3 1 1 6 1786 1 1 14 CYS N N -5.153 -4.368 0.920 1.00 . A A . 14 CYS N 1 1 6 1787 1 1 14 CYS O O -2.914 -5.736 0.303 1.00 . A A . 14 CYS O 1 1 6 1788 1 1 14 CYS SG S -4.987 -1.038 0.212 1.00 . A A . 14 CYS SG 1 1 6 1789 1 1 15 SER C C 0.411 -3.916 -1.280 1.00 . A A . 15 SER C 1 1 6 1790 1 1 15 SER CA C -0.795 -4.851 -1.248 1.00 . A A . 15 SER CA 1 1 6 1791 1 1 15 SER CB C -0.918 -5.591 -2.581 1.00 . A A . 15 SER CB 1 1 6 1792 1 1 15 SER H H -2.134 -3.213 -1.346 1.00 . A A . 15 SER H 1 1 6 1793 1 1 15 SER HA H -0.655 -5.573 -0.457 1.00 . A A . 15 SER HA 1 1 6 1794 1 1 15 SER HB3 H -0.886 -6.656 -2.403 1.00 . A A . 15 SER HB3 1 1 6 1795 1 1 15 SER HG H -1.973 -4.612 -3.911 1.00 . A A . 15 SER HG 1 1 6 1796 1 1 15 SER N N -2.019 -4.109 -0.967 1.00 . A A . 15 SER N 1 1 6 1797 1 1 15 SER O O 0.267 -2.703 -1.436 1.00 . A A . 15 SER O 1 1 6 1798 1 1 15 SER OG O -2.136 -5.271 -3.232 1.00 . A A . 15 SER OG 1 1 6 1799 1 1 16 CYS C C 3.482 -3.743 -2.526 1.00 . A A . 16 CYS C 1 1 6 1800 1 1 16 CYS CA C 2.833 -3.712 -1.146 1.00 . A A . 16 CYS CA 1 1 6 1801 1 1 16 CYS CB C 3.810 -4.248 -0.098 1.00 . A A . 16 CYS CB 1 1 6 1802 1 1 16 CYS H H 1.651 -5.463 -1.014 1.00 . A A . 16 CYS H 1 1 6 1803 1 1 16 CYS HA H 2.582 -2.691 -0.902 1.00 . A A . 16 CYS HA 1 1 6 1804 1 1 16 CYS HB3 H 4.030 -5.283 -0.319 1.00 . A A . 16 CYS HB3 1 1 6 1805 1 1 16 CYS N N 1.600 -4.490 -1.134 1.00 . A A . 16 CYS N 1 1 6 1806 1 1 16 CYS O O 3.910 -4.796 -2.999 1.00 . A A . 16 CYS O 1 1 6 1807 1 1 16 CYS SG S 5.391 -3.348 -0.026 1.00 . A A . 16 CYS SG 1 1 6 1808 1 1 17 TYR C C 5.028 -1.234 -4.597 1.00 . A A . 17 TYR C 1 1 6 1809 1 1 17 TYR CA C 4.146 -2.475 -4.494 1.00 . A A . 17 TYR CA 1 1 6 1810 1 1 17 TYR CB C 3.054 -2.428 -5.564 1.00 . A A . 17 TYR CB 1 1 6 1811 1 1 17 TYR CD1 C 4.478 -3.236 -7.485 1.00 . A A . 17 TYR CD1 1 1 6 1812 1 1 17 TYR CD2 C 3.210 -1.241 -7.787 1.00 . A A . 17 TYR CD2 1 1 6 1813 1 1 17 TYR CE1 C 4.971 -3.123 -8.771 1.00 . A A . 17 TYR CE1 1 1 6 1814 1 1 17 TYR CE2 C 3.696 -1.120 -9.074 1.00 . A A . 17 TYR CE2 1 1 6 1815 1 1 17 TYR CG C 3.590 -2.299 -6.972 1.00 . A A . 17 TYR CG 1 1 6 1816 1 1 17 TYR CZ C 4.577 -2.064 -9.562 1.00 . A A . 17 TYR CZ 1 1 6 1817 1 1 17 TYR H H 3.193 -1.776 -2.739 1.00 . A A . 17 TYR H 1 1 6 1818 1 1 17 TYR HA H 4.757 -3.352 -4.655 1.00 . A A . 17 TYR HA 1 1 6 1819 1 1 17 TYR HB3 H 2.411 -1.580 -5.374 1.00 . A A . 17 TYR HB3 1 1 6 1820 1 1 17 TYR HD1 H 4.785 -4.065 -6.864 1.00 . A A . 17 TYR HD1 1 1 6 1821 1 1 17 TYR HD2 H 2.520 -0.504 -7.402 1.00 . A A . 17 TYR HD2 1 1 6 1822 1 1 17 TYR HE1 H 5.660 -3.861 -9.154 1.00 . A A . 17 TYR HE1 1 1 6 1823 1 1 17 TYR HE2 H 3.388 -0.291 -9.693 1.00 . A A . 17 TYR HE2 1 1 6 1824 1 1 17 TYR HH H 5.375 -2.803 -11.146 1.00 . A A . 17 TYR HH 1 1 6 1825 1 1 17 TYR N N 3.551 -2.582 -3.167 1.00 . A A . 17 TYR N 1 1 6 1826 1 1 17 TYR O O 4.615 -0.132 -4.237 1.00 . A A . 17 TYR O 1 1 6 1827 1 1 17 TYR OH O 5.065 -1.946 -10.843 1.00 . A A . 17 TYR OH 1 1 6 1828 1 1 18 ALA C C 7.601 0.243 -3.891 1.00 . A A . 18 ALA C 1 1 6 1829 1 1 18 ALA CA C 7.189 -0.321 -5.246 1.00 . A A . 18 ALA CA 1 1 6 1830 1 1 18 ALA CB C 6.582 0.774 -6.113 1.00 . A A . 18 ALA CB 1 1 6 1831 1 1 18 ALA H H 6.520 -2.325 -5.362 1.00 . A A . 18 ALA H 1 1 6 1832 1 1 18 ALA HA H 8.067 -0.698 -5.750 1.00 . A A . 18 ALA HA 1 1 6 1833 1 1 18 ALA HB1 H 6.063 0.325 -6.947 1.00 . A A . 18 ALA HB1 1 1 6 1834 1 1 18 ALA HB2 H 5.886 1.354 -5.524 1.00 . A A . 18 ALA HB2 1 1 6 1835 1 1 18 ALA HB3 H 7.367 1.418 -6.480 1.00 . A A . 18 ALA HB3 1 1 6 1836 1 1 18 ALA N N 6.248 -1.423 -5.092 1.00 . A A . 18 ALA N 1 1 6 1837 1 1 18 ALA O O 7.624 1.458 -3.693 1.00 . A A . 18 ALA O 1 1 6 1838 1 1 19 ARG C C 7.299 0.686 -0.993 1.00 . A A . 19 ARG C 1 1 6 1839 1 1 19 ARG CA C 8.336 -0.239 -1.621 1.00 . A A . 19 ARG CA 1 1 6 1840 1 1 19 ARG CB C 9.696 0.461 -1.673 1.00 . A A . 19 ARG CB 1 1 6 1841 1 1 19 ARG CD C 12.077 0.027 -0.997 1.00 . A A . 19 ARG CD 1 1 6 1842 1 1 19 ARG CG C 10.871 -0.497 -1.764 1.00 . A A . 19 ARG CG 1 1 6 1843 1 1 19 ARG CZ C 12.982 -1.970 0.115 1.00 . A A . 19 ARG CZ 1 1 6 1844 1 1 19 ARG H H 7.889 -1.603 -3.177 1.00 . A A . 19 ARG H 1 1 6 1845 1 1 19 ARG HA H 8.422 -1.128 -1.015 1.00 . A A . 19 ARG HA 1 1 6 1846 1 1 19 ARG HB3 H 9.813 1.059 -0.781 1.00 . A A . 19 ARG HB3 1 1 6 1847 1 1 19 ARG HD3 H 11.873 1.039 -0.680 1.00 . A A . 19 ARG HD3 1 1 6 1848 1 1 19 ARG HE H 12.112 -0.438 1.051 1.00 . A A . 19 ARG HE 1 1 6 1849 1 1 19 ARG HG3 H 11.142 -0.622 -2.802 1.00 . A A . 19 ARG HG3 1 1 6 1850 1 1 19 ARG HH11 H 13.174 -1.957 -1.896 1.00 . A A . 19 ARG HH11 1 1 6 1851 1 1 19 ARG HH12 H 13.808 -3.358 -1.097 1.00 . A A . 19 ARG HH12 1 1 6 1852 1 1 19 ARG HH21 H 12.944 -2.278 2.112 1.00 . A A . 19 ARG HH21 1 1 6 1853 1 1 19 ARG HH22 H 13.676 -3.540 1.182 1.00 . A A . 19 ARG HH22 1 1 6 1854 1 1 19 ARG N N 7.927 -0.648 -2.959 1.00 . A A . 19 ARG N 1 1 6 1855 1 1 19 ARG NE N 12.377 -0.788 0.176 1.00 . A A . 19 ARG NE 1 1 6 1856 1 1 19 ARG NH1 N 13.351 -2.470 -1.056 1.00 . A A . 19 ARG NH1 1 1 6 1857 1 1 19 ARG NH2 N 13.220 -2.652 1.228 1.00 . A A . 19 ARG NH2 1 1 6 1858 1 1 19 ARG O O 7.611 1.471 -0.097 1.00 . A A . 19 ARG O 1 1 6 1859 1 1 20 THR C C 3.636 0.705 -1.078 1.00 . A A . 20 THR C 1 1 6 1860 1 1 20 THR CA C 4.977 1.417 -0.958 1.00 . A A . 20 THR CA 1 1 6 1861 1 1 20 THR CB C 4.899 2.764 -1.702 1.00 . A A . 20 THR CB 1 1 6 1862 1 1 20 THR CG2 C 4.248 3.828 -0.831 1.00 . A A . 20 THR CG2 1 1 6 1863 1 1 20 THR H H 5.875 -0.055 -2.184 1.00 . A A . 20 THR H 1 1 6 1864 1 1 20 THR HA H 5.175 1.618 0.085 1.00 . A A . 20 THR HA 1 1 6 1865 1 1 20 THR HB H 4.299 2.632 -2.592 1.00 . A A . 20 THR HB 1 1 6 1866 1 1 20 THR HG1 H 6.148 3.991 -2.611 1.00 . A A . 20 THR HG1 1 1 6 1867 1 1 20 THR HG21 H 4.193 3.473 0.187 1.00 . A A . 20 THR HG21 1 1 6 1868 1 1 20 THR HG22 H 3.252 4.032 -1.195 1.00 . A A . 20 THR HG22 1 1 6 1869 1 1 20 THR HG23 H 4.838 4.731 -0.866 1.00 . A A . 20 THR HG23 1 1 6 1870 1 1 20 THR N N 6.061 0.588 -1.470 1.00 . A A . 20 THR N 1 1 6 1871 1 1 20 THR O O 3.510 -0.285 -1.799 1.00 . A A . 20 THR O 1 1 6 1872 1 1 20 THR OG1 O 6.212 3.190 -2.084 1.00 . A A . 20 THR OG1 1 1 6 1873 1 1 21 CYS C C 0.417 1.327 -1.424 1.00 . A A . 21 CYS C 1 1 6 1874 1 1 21 CYS CA C 1.300 0.626 -0.396 1.00 . A A . 21 CYS CA 1 1 6 1875 1 1 21 CYS CB C 0.655 0.710 0.989 1.00 . A A . 21 CYS CB 1 1 6 1876 1 1 21 CYS H H 2.797 2.005 0.188 1.00 . A A . 21 CYS H 1 1 6 1877 1 1 21 CYS HA H 1.401 -0.413 -0.674 1.00 . A A . 21 CYS HA 1 1 6 1878 1 1 21 CYS HB3 H -0.386 0.435 0.910 1.00 . A A . 21 CYS HB3 1 1 6 1879 1 1 21 CYS N N 2.635 1.214 -0.369 1.00 . A A . 21 CYS N 1 1 6 1880 1 1 21 CYS O O 0.698 2.455 -1.832 1.00 . A A . 21 CYS O 1 1 6 1881 1 1 21 CYS SG S 1.424 -0.376 2.235 1.00 . A A . 21 CYS SG 1 1 6 1882 1 1 22 PHE C C -2.931 0.517 -2.742 1.00 . A A . 22 PHE C 1 1 6 1883 1 1 22 PHE CA C -1.574 1.210 -2.819 1.00 . A A . 22 PHE CA 1 1 6 1884 1 1 22 PHE CB C -0.996 1.074 -4.229 1.00 . A A . 22 PHE CB 1 1 6 1885 1 1 22 PHE CD1 C -0.639 3.463 -4.909 1.00 . A A . 22 PHE CD1 1 1 6 1886 1 1 22 PHE CD2 C -2.206 2.157 -6.143 1.00 . A A . 22 PHE CD2 1 1 6 1887 1 1 22 PHE CE1 C -0.901 4.551 -5.720 1.00 . A A . 22 PHE CE1 1 1 6 1888 1 1 22 PHE CE2 C -2.474 3.241 -6.957 1.00 . A A . 22 PHE CE2 1 1 6 1889 1 1 22 PHE CG C -1.286 2.254 -5.111 1.00 . A A . 22 PHE CG 1 1 6 1890 1 1 22 PHE CZ C -1.822 4.440 -6.744 1.00 . A A . 22 PHE CZ 1 1 6 1891 1 1 22 PHE H H -0.820 -0.242 -1.476 1.00 . A A . 22 PHE H 1 1 6 1892 1 1 22 PHE HA H -1.705 2.257 -2.592 1.00 . A A . 22 PHE HA 1 1 6 1893 1 1 22 PHE HB3 H -1.416 0.197 -4.698 1.00 . A A . 22 PHE HB3 1 1 6 1894 1 1 22 PHE HD1 H 0.081 3.550 -4.107 1.00 . A A . 22 PHE HD1 1 1 6 1895 1 1 22 PHE HD2 H -2.718 1.220 -6.310 1.00 . A A . 22 PHE HD2 1 1 6 1896 1 1 22 PHE HE1 H -0.390 5.487 -5.551 1.00 . A A . 22 PHE HE1 1 1 6 1897 1 1 22 PHE HE2 H -3.194 3.152 -7.757 1.00 . A A . 22 PHE HE2 1 1 6 1898 1 1 22 PHE HZ H -2.028 5.289 -7.378 1.00 . A A . 22 PHE HZ 1 1 6 1899 1 1 22 PHE N N -0.650 0.652 -1.837 1.00 . A A . 22 PHE N 1 1 6 1900 1 1 22 PHE O O -3.012 -0.688 -2.505 1.00 . A A . 22 PHE O 1 1 6 1901 1 1 23 ARG C C -6.053 0.931 -4.240 1.00 . A A . 23 ARG C 1 1 6 1902 1 1 23 ARG CA C -5.349 0.749 -2.899 1.00 . A A . 23 ARG CA 1 1 6 1903 1 1 23 ARG CB C -6.154 1.431 -1.792 1.00 . A A . 23 ARG CB 1 1 6 1904 1 1 23 ARG CD C -8.076 2.945 -2.365 1.00 . A A . 23 ARG CD 1 1 6 1905 1 1 23 ARG CG C -6.576 2.851 -2.132 1.00 . A A . 23 ARG CG 1 1 6 1906 1 1 23 ARG CZ C -9.605 4.414 -3.610 1.00 . A A . 23 ARG CZ 1 1 6 1907 1 1 23 ARG H H -3.866 2.241 -3.131 1.00 . A A . 23 ARG H 1 1 6 1908 1 1 23 ARG HA H -5.279 -0.307 -2.682 1.00 . A A . 23 ARG HA 1 1 6 1909 1 1 23 ARG HB3 H -5.554 1.463 -0.894 1.00 . A A . 23 ARG HB3 1 1 6 1910 1 1 23 ARG HD3 H -8.547 3.289 -1.456 1.00 . A A . 23 ARG HD3 1 1 6 1911 1 1 23 ARG HE H -7.696 4.089 -4.088 1.00 . A A . 23 ARG HE 1 1 6 1912 1 1 23 ARG HG3 H -6.061 3.164 -3.028 1.00 . A A . 23 ARG HG3 1 1 6 1913 1 1 23 ARG HH11 H -10.419 3.509 -1.998 1.00 . A A . 23 ARG HH11 1 1 6 1914 1 1 23 ARG HH12 H -11.487 4.547 -2.884 1.00 . A A . 23 ARG HH12 1 1 6 1915 1 1 23 ARG HH21 H -9.091 5.459 -5.262 1.00 . A A . 23 ARG HH21 1 1 6 1916 1 1 23 ARG HH22 H -10.730 5.656 -4.741 1.00 . A A . 23 ARG HH22 1 1 6 1917 1 1 23 ARG N N -3.994 1.288 -2.945 1.00 . A A . 23 ARG N 1 1 6 1918 1 1 23 ARG NE N -8.405 3.868 -3.449 1.00 . A A . 23 ARG NE 1 1 6 1919 1 1 23 ARG NH1 N -10.585 4.133 -2.761 1.00 . A A . 23 ARG NH1 1 1 6 1920 1 1 23 ARG NH2 N -9.827 5.244 -4.621 1.00 . A A . 23 ARG NH2 1 1 6 1921 1 1 23 ARG O O -7.282 0.940 -4.311 1.00 . A A . 23 ARG O 1 1 6 1922 1 1 24 ASP C C -6.552 2.585 -6.750 1.00 . A A . 24 ASP C 1 1 6 1923 1 1 24 ASP CA C -5.813 1.255 -6.640 1.00 . A A . 24 ASP CA 1 1 6 1924 1 1 24 ASP CB C -6.758 0.103 -6.988 1.00 . A A . 24 ASP CB 1 1 6 1925 1 1 24 ASP CG C -6.164 -0.842 -8.015 1.00 . A A . 24 ASP CG 1 1 6 1926 1 1 24 ASP H H -4.293 1.058 -5.180 1.00 . A A . 24 ASP H 1 1 6 1927 1 1 24 ASP HA H -4.989 1.255 -7.338 1.00 . A A . 24 ASP HA 1 1 6 1928 1 1 24 ASP HB3 H -7.676 0.507 -7.385 1.00 . A A . 24 ASP HB3 1 1 6 1929 1 1 24 ASP N N -5.266 1.073 -5.300 1.00 . A A . 24 ASP N 1 1 6 1930 1 1 24 ASP O O -7.414 2.898 -5.931 1.00 . A A . 24 ASP O 1 1 6 1931 1 1 24 ASP OD1 O -5.059 -1.370 -7.767 1.00 . A A . 24 ASP OD1 1 1 6 1932 1 1 24 ASP OD2 O -6.805 -1.055 -9.065 1.00 . A A . 24 ASP OD2 1 1 6 1933 1 1 25 GLY C C -6.127 5.774 -7.243 1.00 . A A . 25 GLY C 1 1 6 1934 1 1 25 GLY CA C -6.845 4.654 -7.968 1.00 . A A . 25 GLY CA 1 1 6 1935 1 1 25 GLY H H -5.512 3.064 -8.393 1.00 . A A . 25 GLY H 1 1 6 1936 1 1 25 GLY HA2 H -6.863 4.875 -9.024 1.00 . A A . 25 GLY HA2 1 1 6 1937 1 1 25 GLY HA3 H -7.861 4.598 -7.605 1.00 . A A . 25 GLY HA3 1 1 6 1938 1 1 25 GLY N N -6.207 3.365 -7.770 1.00 . A A . 25 GLY N 1 1 6 1939 1 1 25 GLY O O -5.891 6.840 -7.812 1.00 . A A . 25 GLY O 1 1 6 1940 1 1 26 LEU C C -4.112 5.870 -4.208 1.00 . A A . 26 LEU C 1 1 6 1941 1 1 26 LEU CA C -5.085 6.533 -5.178 1.00 . A A . 26 LEU CA 1 1 6 1942 1 1 26 LEU CB C -6.094 7.384 -4.405 1.00 . A A . 26 LEU CB 1 1 6 1943 1 1 26 LEU CD1 C -8.420 8.304 -4.241 1.00 . A A . 26 LEU CD1 1 1 6 1944 1 1 26 LEU CD2 C -6.950 8.963 -6.154 1.00 . A A . 26 LEU CD2 1 1 6 1945 1 1 26 LEU CG C -7.322 7.847 -5.189 1.00 . A A . 26 LEU CG 1 1 6 1946 1 1 26 LEU H H -5.994 4.666 -5.585 1.00 . A A . 26 LEU H 1 1 6 1947 1 1 26 LEU HA H -4.527 7.170 -5.848 1.00 . A A . 26 LEU HA 1 1 6 1948 1 1 26 LEU HB3 H -5.578 8.264 -4.048 1.00 . A A . 26 LEU HB3 1 1 6 1949 1 1 26 LEU HD11 H -9.384 8.126 -4.693 1.00 . A A . 26 LEU HD11 1 1 6 1950 1 1 26 LEU HD12 H -8.305 9.358 -4.039 1.00 . A A . 26 LEU HD12 1 1 6 1951 1 1 26 LEU HD13 H -8.348 7.751 -3.314 1.00 . A A . 26 LEU HD13 1 1 6 1952 1 1 26 LEU HD21 H -5.882 8.961 -6.311 1.00 . A A . 26 LEU HD21 1 1 6 1953 1 1 26 LEU HD22 H -7.251 9.913 -5.739 1.00 . A A . 26 LEU HD22 1 1 6 1954 1 1 26 LEU HD23 H -7.454 8.805 -7.097 1.00 . A A . 26 LEU HD23 1 1 6 1955 1 1 26 LEU HG H -7.706 7.017 -5.767 1.00 . A A . 26 LEU HG 1 1 6 1956 1 1 26 LEU N N -5.779 5.534 -5.984 1.00 . A A . 26 LEU N 1 1 6 1957 1 1 26 LEU O O -4.293 4.723 -3.796 1.00 . A A . 26 LEU O 1 1 6 1958 1 1 27 PRO C C -2.568 5.968 -1.481 1.00 . A A . 27 PRO C 1 1 6 1959 1 1 27 PRO CA C -2.036 6.111 -2.902 1.00 . A A . 27 PRO CA 1 1 6 1960 1 1 27 PRO CB C -0.950 7.189 -2.961 1.00 . A A . 27 PRO CB 1 1 6 1961 1 1 27 PRO CD C -2.779 7.981 -4.282 1.00 . A A . 27 PRO CD 1 1 6 1962 1 1 27 PRO CG C -1.669 8.428 -3.372 1.00 . A A . 27 PRO CG 1 1 6 1963 1 1 27 PRO HA H -1.628 5.167 -3.230 1.00 . A A . 27 PRO HA 1 1 6 1964 1 1 27 PRO HB3 H -0.200 6.909 -3.684 1.00 . A A . 27 PRO HB3 1 1 6 1965 1 1 27 PRO HD3 H -2.450 7.989 -5.312 1.00 . A A . 27 PRO HD3 1 1 6 1966 1 1 27 PRO HG3 H -0.993 9.084 -3.901 1.00 . A A . 27 PRO HG3 1 1 6 1967 1 1 27 PRO N N -3.057 6.607 -3.831 1.00 . A A . 27 PRO N 1 1 6 1968 1 1 27 PRO O O -1.799 5.951 -0.519 1.00 . A A . 27 PRO O 1 1 7 1969 1 1 1 SER C C -3.424 5.482 1.602 1.00 . A A . 1 SER C 1 1 7 1970 1 1 1 SER CA C -3.370 6.732 0.727 1.00 . A A . 1 SER CA 1 1 7 1971 1 1 1 SER CB C -4.644 7.556 0.917 1.00 . A A . 1 SER CB 1 1 7 1972 1 1 1 SER H1 H -3.575 5.529 -1.004 1.00 . A A . 1 SER H1 1 1 7 1973 1 1 1 SER HA H -2.519 7.326 1.022 1.00 . A A . 1 SER HA 1 1 7 1974 1 1 1 SER HB3 H -4.714 8.292 0.128 1.00 . A A . 1 SER HB3 1 1 7 1975 1 1 1 SER HG H -6.311 6.939 0.095 1.00 . A A . 1 SER HG 1 1 7 1976 1 1 1 SER N N -3.202 6.375 -0.676 1.00 . A A . 1 SER N 1 1 7 1977 1 1 1 SER O O -4.009 5.494 2.685 1.00 . A A . 1 SER O 1 1 7 1978 1 1 1 SER OG O -5.796 6.733 0.878 1.00 . A A . 1 SER OG 1 1 7 1979 1 1 2 CYS C C -1.712 3.168 2.940 1.00 . A A . 2 CYS C 1 1 7 1980 1 1 2 CYS CA C -2.789 3.147 1.859 1.00 . A A . 2 CYS CA 1 1 7 1981 1 1 2 CYS CB C -2.545 1.978 0.904 1.00 . A A . 2 CYS CB 1 1 7 1982 1 1 2 CYS H H -2.362 4.458 0.253 1.00 . A A . 2 CYS H 1 1 7 1983 1 1 2 CYS HA H -3.752 3.021 2.331 1.00 . A A . 2 CYS HA 1 1 7 1984 1 1 2 CYS HB3 H -2.242 1.112 1.475 1.00 . A A . 2 CYS HB3 1 1 7 1985 1 1 2 CYS N N -2.811 4.405 1.123 1.00 . A A . 2 CYS N 1 1 7 1986 1 1 2 CYS O O -0.520 3.081 2.646 1.00 . A A . 2 CYS O 1 1 7 1987 1 1 2 CYS SG S -4.002 1.509 -0.085 1.00 . A A . 2 CYS SG 1 1 7 1988 1 1 3 GLY C C -0.491 1.988 5.493 1.00 . A A . 3 GLY C 1 1 7 1989 1 1 3 GLY CA C -1.201 3.314 5.299 1.00 . A A . 3 GLY CA 1 1 7 1990 1 1 3 GLY H H -3.102 3.349 4.368 1.00 . A A . 3 GLY H 1 1 7 1991 1 1 3 GLY HA2 H -0.464 4.081 5.110 1.00 . A A . 3 GLY HA2 1 1 7 1992 1 1 3 GLY HA3 H -1.737 3.558 6.205 1.00 . A A . 3 GLY HA3 1 1 7 1993 1 1 3 GLY N N -2.141 3.283 4.193 1.00 . A A . 3 GLY N 1 1 7 1994 1 1 3 GLY O O -0.100 1.338 4.525 1.00 . A A . 3 GLY O 1 1 7 1995 1 1 4 GLY C C 1.764 0.293 6.508 1.00 . A A . 4 GLY C 1 1 7 1996 1 1 4 GLY CA C 0.347 0.334 7.045 1.00 . A A . 4 GLY CA 1 1 7 1997 1 1 4 GLY H H -0.655 2.148 7.481 1.00 . A A . 4 GLY H 1 1 7 1998 1 1 4 GLY HA2 H 0.373 0.197 8.115 1.00 . A A . 4 GLY HA2 1 1 7 1999 1 1 4 GLY HA3 H -0.218 -0.474 6.602 1.00 . A A . 4 GLY HA3 1 1 7 2000 1 1 4 GLY N N -0.322 1.588 6.749 1.00 . A A . 4 GLY N 1 1 7 2001 1 1 4 GLY O O 2.177 1.179 5.760 1.00 . A A . 4 GLY O 1 1 7 2002 1 1 5 SER C C 4.067 -2.173 5.646 1.00 . A A . 5 SER C 1 1 7 2003 1 1 5 SER CA C 3.891 -0.887 6.448 1.00 . A A . 5 SER CA 1 1 7 2004 1 1 5 SER CB C 4.838 -0.890 7.651 1.00 . A A . 5 SER CB 1 1 7 2005 1 1 5 SER H H 2.123 -1.411 7.490 1.00 . A A . 5 SER H 1 1 7 2006 1 1 5 SER HA H 4.130 -0.046 5.815 1.00 . A A . 5 SER HA 1 1 7 2007 1 1 5 SER HB3 H 5.370 -1.830 7.684 1.00 . A A . 5 SER HB3 1 1 7 2008 1 1 5 SER HG H 5.580 0.830 8.223 1.00 . A A . 5 SER HG 1 1 7 2009 1 1 5 SER N N 2.510 -0.738 6.892 1.00 . A A . 5 SER N 1 1 7 2010 1 1 5 SER O O 3.364 -3.158 5.867 1.00 . A A . 5 SER O 1 1 7 2011 1 1 5 SER OG O 5.779 0.165 7.560 1.00 . A A . 5 SER OG 1 1 7 2012 1 1 6 CYS C C 5.927 -4.435 4.687 1.00 . A A . 6 CYS C 1 1 7 2013 1 1 6 CYS CA C 5.283 -3.317 3.873 1.00 . A A . 6 CYS CA 1 1 7 2014 1 1 6 CYS CB C 6.193 -2.930 2.706 1.00 . A A . 6 CYS CB 1 1 7 2015 1 1 6 CYS H H 5.541 -1.339 4.582 1.00 . A A . 6 CYS H 1 1 7 2016 1 1 6 CYS HA H 4.341 -3.670 3.482 1.00 . A A . 6 CYS HA 1 1 7 2017 1 1 6 CYS HB3 H 6.793 -3.784 2.429 1.00 . A A . 6 CYS HB3 1 1 7 2018 1 1 6 CYS N N 5.012 -2.154 4.712 1.00 . A A . 6 CYS N 1 1 7 2019 1 1 6 CYS O O 5.859 -5.607 4.315 1.00 . A A . 6 CYS O 1 1 7 2020 1 1 6 CYS SG S 5.299 -2.371 1.220 1.00 . A A . 6 CYS SG 1 1 7 2021 1 1 7 PHE C C 6.199 -5.740 7.562 1.00 . A A . 7 PHE C 1 1 7 2022 1 1 7 PHE CA C 7.213 -5.036 6.665 1.00 . A A . 7 PHE CA 1 1 7 2023 1 1 7 PHE CB C 8.278 -4.348 7.522 1.00 . A A . 7 PHE CB 1 1 7 2024 1 1 7 PHE CD1 C 10.204 -5.947 7.364 1.00 . A A . 7 PHE CD1 1 1 7 2025 1 1 7 PHE CD2 C 9.228 -5.556 9.505 1.00 . A A . 7 PHE CD2 1 1 7 2026 1 1 7 PHE CE1 C 11.106 -6.827 7.933 1.00 . A A . 7 PHE CE1 1 1 7 2027 1 1 7 PHE CE2 C 10.128 -6.434 10.079 1.00 . A A . 7 PHE CE2 1 1 7 2028 1 1 7 PHE CG C 9.257 -5.303 8.143 1.00 . A A . 7 PHE CG 1 1 7 2029 1 1 7 PHE CZ C 11.068 -7.071 9.292 1.00 . A A . 7 PHE CZ 1 1 7 2030 1 1 7 PHE H H 6.576 -3.115 6.042 1.00 . A A . 7 PHE H 1 1 7 2031 1 1 7 PHE HA H 7.690 -5.771 6.035 1.00 . A A . 7 PHE HA 1 1 7 2032 1 1 7 PHE HB3 H 7.792 -3.804 8.317 1.00 . A A . 7 PHE HB3 1 1 7 2033 1 1 7 PHE HD1 H 10.235 -5.758 6.300 1.00 . A A . 7 PHE HD1 1 1 7 2034 1 1 7 PHE HD2 H 8.493 -5.059 10.121 1.00 . A A . 7 PHE HD2 1 1 7 2035 1 1 7 PHE HE1 H 11.840 -7.323 7.315 1.00 . A A . 7 PHE HE1 1 1 7 2036 1 1 7 PHE HE2 H 10.096 -6.623 11.141 1.00 . A A . 7 PHE HE2 1 1 7 2037 1 1 7 PHE HZ H 11.773 -7.757 9.738 1.00 . A A . 7 PHE HZ 1 1 7 2038 1 1 7 PHE N N 6.555 -4.065 5.798 1.00 . A A . 7 PHE N 1 1 7 2039 1 1 7 PHE O O 6.484 -6.790 8.136 1.00 . A A . 7 PHE O 1 1 7 2040 1 1 8 GLY C C 2.635 -5.802 7.797 1.00 . A A . 8 GLY C 1 1 7 2041 1 1 8 GLY CA C 3.973 -5.736 8.506 1.00 . A A . 8 GLY CA 1 1 7 2042 1 1 8 GLY H H 4.840 -4.316 7.196 1.00 . A A . 8 GLY H 1 1 7 2043 1 1 8 GLY HA2 H 4.271 -6.735 8.786 1.00 . A A . 8 GLY HA2 1 1 7 2044 1 1 8 GLY HA3 H 3.864 -5.140 9.400 1.00 . A A . 8 GLY HA3 1 1 7 2045 1 1 8 GLY N N 5.012 -5.152 7.678 1.00 . A A . 8 GLY N 1 1 7 2046 1 1 8 GLY O O 1.586 -5.852 8.439 1.00 . A A . 8 GLY O 1 1 7 2047 1 1 9 GLY C C 0.888 -4.484 5.383 1.00 . A A . 9 GLY C 1 1 7 2048 1 1 9 GLY CA C 1.444 -5.859 5.694 1.00 . A A . 9 GLY CA 1 1 7 2049 1 1 9 GLY H H 3.535 -5.760 6.010 1.00 . A A . 9 GLY H 1 1 7 2050 1 1 9 GLY HA2 H 1.641 -6.376 4.766 1.00 . A A . 9 GLY HA2 1 1 7 2051 1 1 9 GLY HA3 H 0.705 -6.415 6.253 1.00 . A A . 9 GLY HA3 1 1 7 2052 1 1 9 GLY N N 2.669 -5.801 6.468 1.00 . A A . 9 GLY N 1 1 7 2053 1 1 9 GLY O O 0.840 -3.613 6.253 1.00 . A A . 9 GLY O 1 1 7 2054 1 1 10 CYS C C -1.498 -2.816 4.254 1.00 . A A . 10 CYS C 1 1 7 2055 1 1 10 CYS CA C -0.084 -3.005 3.711 1.00 . A A . 10 CYS CA 1 1 7 2056 1 1 10 CYS CB C -0.096 -2.914 2.184 1.00 . A A . 10 CYS CB 1 1 7 2057 1 1 10 CYS H H 0.533 -5.018 3.488 1.00 . A A . 10 CYS H 1 1 7 2058 1 1 10 CYS HA H 0.547 -2.224 4.105 1.00 . A A . 10 CYS HA 1 1 7 2059 1 1 10 CYS HB3 H -0.936 -2.310 1.873 1.00 . A A . 10 CYS HB3 1 1 7 2060 1 1 10 CYS N N 0.468 -4.285 4.137 1.00 . A A . 10 CYS N 1 1 7 2061 1 1 10 CYS O O -2.073 -3.729 4.847 1.00 . A A . 10 CYS O 1 1 7 2062 1 1 10 CYS SG S 1.411 -2.177 1.472 1.00 . A A . 10 CYS SG 1 1 7 2063 1 1 11 TRP C C -4.394 -2.365 4.034 1.00 . A A . 11 TRP C 1 1 7 2064 1 1 11 TRP CA C -3.397 -1.317 4.514 1.00 . A A . 11 TRP CA 1 1 7 2065 1 1 11 TRP CB C -3.822 0.069 4.029 1.00 . A A . 11 TRP CB 1 1 7 2066 1 1 11 TRP CD1 C -3.392 1.155 6.310 1.00 . A A . 11 TRP CD1 1 1 7 2067 1 1 11 TRP CD2 C -5.143 2.006 5.201 1.00 . A A . 11 TRP CD2 1 1 7 2068 1 1 11 TRP CE2 C -5.016 2.683 6.429 1.00 . A A . 11 TRP CE2 1 1 7 2069 1 1 11 TRP CE3 C -6.174 2.371 4.332 1.00 . A A . 11 TRP CE3 1 1 7 2070 1 1 11 TRP CG C -4.094 1.033 5.144 1.00 . A A . 11 TRP CG 1 1 7 2071 1 1 11 TRP CH2 C -6.885 4.042 5.939 1.00 . A A . 11 TRP CH2 1 1 7 2072 1 1 11 TRP CZ2 C -5.884 3.704 6.808 1.00 . A A . 11 TRP CZ2 1 1 7 2073 1 1 11 TRP CZ3 C -7.035 3.384 4.710 1.00 . A A . 11 TRP CZ3 1 1 7 2074 1 1 11 TRP H H -1.541 -0.939 3.567 1.00 . A A . 11 TRP H 1 1 7 2075 1 1 11 TRP HA H -3.381 -1.321 5.594 1.00 . A A . 11 TRP HA 1 1 7 2076 1 1 11 TRP HB3 H -4.724 -0.024 3.441 1.00 . A A . 11 TRP HB3 1 1 7 2077 1 1 11 TRP HD1 H -2.535 0.554 6.570 1.00 . A A . 11 TRP HD1 1 1 7 2078 1 1 11 TRP HE1 H -3.616 2.424 7.969 1.00 . A A . 11 TRP HE1 1 1 7 2079 1 1 11 TRP HE3 H -6.306 1.876 3.381 1.00 . A A . 11 TRP HE3 1 1 7 2080 1 1 11 TRP HH2 H -7.581 4.826 6.193 1.00 . A A . 11 TRP HH2 1 1 7 2081 1 1 11 TRP HZ2 H -5.781 4.221 7.751 1.00 . A A . 11 TRP HZ2 1 1 7 2082 1 1 11 TRP HZ3 H -7.839 3.679 4.053 1.00 . A A . 11 TRP HZ3 1 1 7 2083 1 1 11 TRP N N -2.051 -1.626 4.047 1.00 . A A . 11 TRP N 1 1 7 2084 1 1 11 TRP NE1 N -3.941 2.146 7.087 1.00 . A A . 11 TRP NE1 1 1 7 2085 1 1 11 TRP O O -4.106 -3.194 3.151 1.00 . A A . 11 TRP O 1 1 7 2086 1 1 12 HYP C C -7.230 -3.078 2.885 1.00 . A A . 12 HYP C 1 1 7 2087 1 1 12 HYP CA C -6.672 -3.294 4.281 1.00 . A A . 12 HYP CA 1 1 7 2088 1 1 12 HYP CB C -7.748 -3.017 5.345 1.00 . A A . 12 HYP CB 1 1 7 2089 1 1 12 HYP CD C -6.035 -1.415 5.659 1.00 . A A . 12 HYP CD 1 1 7 2090 1 1 12 HYP CG C -7.040 -2.239 6.394 1.00 . A A . 12 HYP CG 1 1 7 2091 1 1 12 HYP HA H -6.330 -4.315 4.373 1.00 . A A . 12 HYP HA 1 1 7 2092 1 1 12 HYP HB2 H -8.123 -3.952 5.735 1.00 . A A . 12 HYP HB2 1 1 7 2093 1 1 12 HYP HB3 H -8.557 -2.448 4.910 1.00 . A A . 12 HYP HB3 1 1 7 2094 1 1 12 HYP HD1 H -6.216 -4.094 6.791 1.00 . A A . 12 HYP HD1 1 1 7 2095 1 1 12 HYP HD22 H -6.866 -0.588 5.378 1.00 . A A . 12 HYP HD22 1 1 7 2096 1 1 12 HYP HD23 H -5.527 -1.088 6.438 1.00 . A A . 12 HYP HD23 1 1 7 2097 1 1 12 HYP HG H -7.971 -1.912 7.015 1.00 . A A . 12 HYP HG 1 1 7 2098 1 1 12 HYP N N -5.603 -2.346 4.617 1.00 . A A . 12 HYP N 1 1 7 2099 1 1 12 HYP O O -7.817 -2.041 2.579 1.00 . A A . 12 HYP O 1 1 7 2100 1 1 12 HYP OD1 O -6.425 -3.282 7.278 1.00 . A A . 12 HYP OD1 1 1 7 2101 1 1 13 GLY C C -6.484 -3.419 -0.282 1.00 . A A . 13 GLY C 1 1 7 2102 1 1 13 GLY CA C -7.521 -3.990 0.665 1.00 . A A . 13 GLY CA 1 1 7 2103 1 1 13 GLY H H -6.562 -4.881 2.329 1.00 . A A . 13 GLY H 1 1 7 2104 1 1 13 GLY HA2 H -7.795 -4.979 0.327 1.00 . A A . 13 GLY HA2 1 1 7 2105 1 1 13 GLY HA3 H -8.396 -3.358 0.644 1.00 . A A . 13 GLY HA3 1 1 7 2106 1 1 13 GLY N N -7.037 -4.078 2.030 1.00 . A A . 13 GLY N 1 1 7 2107 1 1 13 GLY O O -6.773 -3.166 -1.452 1.00 . A A . 13 GLY O 1 1 7 2108 1 1 14 CYS C C -3.130 -3.725 -0.864 1.00 . A A . 14 CYS C 1 1 7 2109 1 1 14 CYS CA C -4.190 -2.664 -0.583 1.00 . A A . 14 CYS CA 1 1 7 2110 1 1 14 CYS CB C -3.553 -1.467 0.126 1.00 . A A . 14 CYS CB 1 1 7 2111 1 1 14 CYS H H -5.103 -3.432 1.164 1.00 . A A . 14 CYS H 1 1 7 2112 1 1 14 CYS HA H -4.609 -2.334 -1.521 1.00 . A A . 14 CYS HA 1 1 7 2113 1 1 14 CYS HB3 H -2.844 -0.999 -0.541 1.00 . A A . 14 CYS HB3 1 1 7 2114 1 1 14 CYS N N -5.273 -3.212 0.225 1.00 . A A . 14 CYS N 1 1 7 2115 1 1 14 CYS O O -3.339 -4.910 -0.603 1.00 . A A . 14 CYS O 1 1 7 2116 1 1 14 CYS SG S -4.745 -0.193 0.651 1.00 . A A . 14 CYS SG 1 1 7 2117 1 1 15 SER C C 0.449 -3.504 -1.584 1.00 . A A . 15 SER C 1 1 7 2118 1 1 15 SER CA C -0.901 -4.204 -1.716 1.00 . A A . 15 SER CA 1 1 7 2119 1 1 15 SER CB C -1.066 -4.753 -3.133 1.00 . A A . 15 SER CB 1 1 7 2120 1 1 15 SER H H -1.885 -2.334 -1.581 1.00 . A A . 15 SER H 1 1 7 2121 1 1 15 SER HA H -0.937 -5.024 -1.014 1.00 . A A . 15 SER HA 1 1 7 2122 1 1 15 SER HB3 H -0.827 -5.807 -3.139 1.00 . A A . 15 SER HB3 1 1 7 2123 1 1 15 SER HG H -2.754 -5.436 -3.855 1.00 . A A . 15 SER HG 1 1 7 2124 1 1 15 SER N N -1.992 -3.291 -1.396 1.00 . A A . 15 SER N 1 1 7 2125 1 1 15 SER O O 0.533 -2.277 -1.635 1.00 . A A . 15 SER O 1 1 7 2126 1 1 15 SER OG O -2.396 -4.585 -3.594 1.00 . A A . 15 SER OG 1 1 7 2127 1 1 16 CYS C C 3.579 -3.754 -2.613 1.00 . A A . 16 CYS C 1 1 7 2128 1 1 16 CYS CA C 2.850 -3.754 -1.273 1.00 . A A . 16 CYS CA 1 1 7 2129 1 1 16 CYS CB C 3.644 -4.566 -0.248 1.00 . A A . 16 CYS CB 1 1 7 2130 1 1 16 CYS H H 1.373 -5.266 -1.380 1.00 . A A . 16 CYS H 1 1 7 2131 1 1 16 CYS HA H 2.764 -2.736 -0.923 1.00 . A A . 16 CYS HA 1 1 7 2132 1 1 16 CYS HB3 H 3.707 -5.592 -0.582 1.00 . A A . 16 CYS HB3 1 1 7 2133 1 1 16 CYS N N 1.504 -4.294 -1.412 1.00 . A A . 16 CYS N 1 1 7 2134 1 1 16 CYS O O 4.188 -4.751 -3.000 1.00 . A A . 16 CYS O 1 1 7 2135 1 1 16 CYS SG S 5.342 -3.965 0.023 1.00 . A A . 16 CYS SG 1 1 7 2136 1 1 17 TYR C C 5.226 -1.405 -4.584 1.00 . A A . 17 TYR C 1 1 7 2137 1 1 17 TYR CA C 4.163 -2.499 -4.615 1.00 . A A . 17 TYR CA 1 1 7 2138 1 1 17 TYR CB C 3.128 -2.191 -5.698 1.00 . A A . 17 TYR CB 1 1 7 2139 1 1 17 TYR CD1 C 4.449 -3.044 -7.675 1.00 . A A . 17 TYR CD1 1 1 7 2140 1 1 17 TYR CD2 C 3.574 -0.829 -7.778 1.00 . A A . 17 TYR CD2 1 1 7 2141 1 1 17 TYR CE1 C 4.999 -2.891 -8.933 1.00 . A A . 17 TYR CE1 1 1 7 2142 1 1 17 TYR CE2 C 4.119 -0.667 -9.036 1.00 . A A . 17 TYR CE2 1 1 7 2143 1 1 17 TYR CG C 3.728 -2.019 -7.076 1.00 . A A . 17 TYR CG 1 1 7 2144 1 1 17 TYR CZ C 4.831 -1.701 -9.610 1.00 . A A . 17 TYR CZ 1 1 7 2145 1 1 17 TYR H H 3.011 -1.868 -2.955 1.00 . A A . 17 TYR H 1 1 7 2146 1 1 17 TYR HA H 4.639 -3.442 -4.843 1.00 . A A . 17 TYR HA 1 1 7 2147 1 1 17 TYR HB3 H 2.612 -1.277 -5.445 1.00 . A A . 17 TYR HB3 1 1 7 2148 1 1 17 TYR HD1 H 4.577 -3.976 -7.142 1.00 . A A . 17 TYR HD1 1 1 7 2149 1 1 17 TYR HD2 H 3.015 -0.022 -7.326 1.00 . A A . 17 TYR HD2 1 1 7 2150 1 1 17 TYR HE1 H 5.556 -3.700 -9.382 1.00 . A A . 17 TYR HE1 1 1 7 2151 1 1 17 TYR HE2 H 3.989 0.264 -9.568 1.00 . A A . 17 TYR HE2 1 1 7 2152 1 1 17 TYR HH H 4.687 -1.296 -11.483 1.00 . A A . 17 TYR HH 1 1 7 2153 1 1 17 TYR N N 3.512 -2.629 -3.316 1.00 . A A . 17 TYR N 1 1 7 2154 1 1 17 TYR O O 4.964 -0.283 -4.152 1.00 . A A . 17 TYR O 1 1 7 2155 1 1 17 TYR OH O 5.376 -1.544 -10.863 1.00 . A A . 17 TYR OH 1 1 7 2156 1 1 18 ALA C C 7.852 -0.282 -3.674 1.00 . A A . 18 ALA C 1 1 7 2157 1 1 18 ALA CA C 7.527 -0.789 -5.076 1.00 . A A . 18 ALA CA 1 1 7 2158 1 1 18 ALA CB C 7.193 0.377 -5.996 1.00 . A A . 18 ALA CB 1 1 7 2159 1 1 18 ALA H H 6.572 -2.652 -5.378 1.00 . A A . 18 ALA H 1 1 7 2160 1 1 18 ALA HA H 8.395 -1.294 -5.475 1.00 . A A . 18 ALA HA 1 1 7 2161 1 1 18 ALA HB1 H 8.006 1.089 -5.983 1.00 . A A . 18 ALA HB1 1 1 7 2162 1 1 18 ALA HB2 H 7.050 0.011 -7.001 1.00 . A A . 18 ALA HB2 1 1 7 2163 1 1 18 ALA HB3 H 6.289 0.857 -5.653 1.00 . A A . 18 ALA HB3 1 1 7 2164 1 1 18 ALA N N 6.425 -1.742 -5.046 1.00 . A A . 18 ALA N 1 1 7 2165 1 1 18 ALA O O 7.960 0.923 -3.449 1.00 . A A . 18 ALA O 1 1 7 2166 1 1 19 ARG C C 7.348 0.202 -0.835 1.00 . A A . 19 ARG C 1 1 7 2167 1 1 19 ARG CA C 8.316 -0.857 -1.356 1.00 . A A . 19 ARG CA 1 1 7 2168 1 1 19 ARG CB C 9.754 -0.347 -1.248 1.00 . A A . 19 ARG CB 1 1 7 2169 1 1 19 ARG CD C 12.153 -0.827 -1.821 1.00 . A A . 19 ARG CD 1 1 7 2170 1 1 19 ARG CG C 10.801 -1.426 -1.469 1.00 . A A . 19 ARG CG 1 1 7 2171 1 1 19 ARG CZ C 14.516 -1.231 -1.277 1.00 . A A . 19 ARG CZ 1 1 7 2172 1 1 19 ARG H H 7.906 -2.155 -2.976 1.00 . A A . 19 ARG H 1 1 7 2173 1 1 19 ARG HA H 8.214 -1.747 -0.754 1.00 . A A . 19 ARG HA 1 1 7 2174 1 1 19 ARG HB3 H 9.901 0.072 -0.264 1.00 . A A . 19 ARG HB3 1 1 7 2175 1 1 19 ARG HD3 H 12.228 0.150 -1.367 1.00 . A A . 19 ARG HD3 1 1 7 2176 1 1 19 ARG HE H 13.054 -2.572 -1.071 1.00 . A A . 19 ARG HE 1 1 7 2177 1 1 19 ARG HG3 H 10.479 -2.067 -2.276 1.00 . A A . 19 ARG HG3 1 1 7 2178 1 1 19 ARG HH11 H 14.110 0.619 -1.975 1.00 . A A . 19 ARG HH11 1 1 7 2179 1 1 19 ARG HH12 H 15.772 0.321 -1.587 1.00 . A A . 19 ARG HH12 1 1 7 2180 1 1 19 ARG HH21 H 15.239 -2.977 -0.557 1.00 . A A . 19 ARG HH21 1 1 7 2181 1 1 19 ARG HH22 H 16.413 -1.725 -0.781 1.00 . A A . 19 ARG HH22 1 1 7 2182 1 1 19 ARG N N 8.005 -1.211 -2.735 1.00 . A A . 19 ARG N 1 1 7 2183 1 1 19 ARG NE N 13.259 -1.655 -1.348 1.00 . A A . 19 ARG NE 1 1 7 2184 1 1 19 ARG NH1 N 14.825 0.005 -1.644 1.00 . A A . 19 ARG NH1 1 1 7 2185 1 1 19 ARG NH2 N 15.467 -2.044 -0.835 1.00 . A A . 19 ARG NH2 1 1 7 2186 1 1 19 ARG O O 7.704 1.018 0.017 1.00 . A A . 19 ARG O 1 1 7 2187 1 1 20 THR C C 3.713 0.526 -1.002 1.00 . A A . 20 THR C 1 1 7 2188 1 1 20 THR CA C 5.106 1.144 -0.941 1.00 . A A . 20 THR CA 1 1 7 2189 1 1 20 THR CB C 5.135 2.405 -1.823 1.00 . A A . 20 THR CB 1 1 7 2190 1 1 20 THR CG2 C 4.579 3.604 -1.071 1.00 . A A . 20 THR CG2 1 1 7 2191 1 1 20 THR H H 5.901 -0.491 -2.027 1.00 . A A . 20 THR H 1 1 7 2192 1 1 20 THR HA H 5.317 1.436 0.077 1.00 . A A . 20 THR HA 1 1 7 2193 1 1 20 THR HB H 4.522 2.231 -2.696 1.00 . A A . 20 THR HB 1 1 7 2194 1 1 20 THR HG1 H 6.460 3.231 -3.029 1.00 . A A . 20 THR HG1 1 1 7 2195 1 1 20 THR HG21 H 3.594 3.840 -1.447 1.00 . A A . 20 THR HG21 1 1 7 2196 1 1 20 THR HG22 H 5.231 4.453 -1.214 1.00 . A A . 20 THR HG22 1 1 7 2197 1 1 20 THR HG23 H 4.515 3.371 -0.018 1.00 . A A . 20 THR HG23 1 1 7 2198 1 1 20 THR N N 6.124 0.184 -1.352 1.00 . A A . 20 THR N 1 1 7 2199 1 1 20 THR O O 3.516 -0.531 -1.601 1.00 . A A . 20 THR O 1 1 7 2200 1 1 20 THR OG1 O 6.476 2.679 -2.243 1.00 . A A . 20 THR OG1 1 1 7 2201 1 1 21 CYS C C 0.516 1.475 -1.364 1.00 . A A . 21 CYS C 1 1 7 2202 1 1 21 CYS CA C 1.373 0.711 -0.358 1.00 . A A . 21 CYS CA 1 1 7 2203 1 1 21 CYS CB C 0.780 0.851 1.045 1.00 . A A . 21 CYS CB 1 1 7 2204 1 1 21 CYS H H 2.968 2.031 0.085 1.00 . A A . 21 CYS H 1 1 7 2205 1 1 21 CYS HA H 1.384 -0.332 -0.633 1.00 . A A . 21 CYS HA 1 1 7 2206 1 1 21 CYS HB3 H -0.287 0.693 0.993 1.00 . A A . 21 CYS HB3 1 1 7 2207 1 1 21 CYS N N 2.749 1.193 -0.376 1.00 . A A . 21 CYS N 1 1 7 2208 1 1 21 CYS O O 0.566 2.703 -1.432 1.00 . A A . 21 CYS O 1 1 7 2209 1 1 21 CYS SG S 1.457 -0.325 2.259 1.00 . A A . 21 CYS SG 1 1 7 2210 1 1 22 PHE C C -2.277 0.404 -3.520 1.00 . A A . 22 PHE C 1 1 7 2211 1 1 22 PHE CA C -1.138 1.346 -3.144 1.00 . A A . 22 PHE CA 1 1 7 2212 1 1 22 PHE CB C -0.333 1.714 -4.392 1.00 . A A . 22 PHE CB 1 1 7 2213 1 1 22 PHE CD1 C -1.756 3.733 -4.834 1.00 . A A . 22 PHE CD1 1 1 7 2214 1 1 22 PHE CD2 C -1.052 2.415 -6.691 1.00 . A A . 22 PHE CD2 1 1 7 2215 1 1 22 PHE CE1 C -2.427 4.586 -5.690 1.00 . A A . 22 PHE CE1 1 1 7 2216 1 1 22 PHE CE2 C -1.721 3.265 -7.552 1.00 . A A . 22 PHE CE2 1 1 7 2217 1 1 22 PHE CG C -1.061 2.640 -5.324 1.00 . A A . 22 PHE CG 1 1 7 2218 1 1 22 PHE CZ C -2.410 4.351 -7.050 1.00 . A A . 22 PHE CZ 1 1 7 2219 1 1 22 PHE H H -0.266 -0.237 -2.040 1.00 . A A . 22 PHE H 1 1 7 2220 1 1 22 PHE HA H -1.557 2.246 -2.718 1.00 . A A . 22 PHE HA 1 1 7 2221 1 1 22 PHE HB3 H -0.093 0.814 -4.935 1.00 . A A . 22 PHE HB3 1 1 7 2222 1 1 22 PHE HD1 H -1.771 3.918 -3.769 1.00 . A A . 22 PHE HD1 1 1 7 2223 1 1 22 PHE HD2 H -0.514 1.564 -7.086 1.00 . A A . 22 PHE HD2 1 1 7 2224 1 1 22 PHE HE1 H -2.966 5.435 -5.294 1.00 . A A . 22 PHE HE1 1 1 7 2225 1 1 22 PHE HE2 H -1.706 3.078 -8.616 1.00 . A A . 22 PHE HE2 1 1 7 2226 1 1 22 PHE HZ H -2.934 5.017 -7.720 1.00 . A A . 22 PHE HZ 1 1 7 2227 1 1 22 PHE N N -0.271 0.739 -2.142 1.00 . A A . 22 PHE N 1 1 7 2228 1 1 22 PHE O O -2.107 -0.816 -3.542 1.00 . A A . 22 PHE O 1 1 7 2229 1 1 23 ARG C C -5.276 0.764 -5.434 1.00 . A A . 23 ARG C 1 1 7 2230 1 1 23 ARG CA C -4.608 0.188 -4.189 1.00 . A A . 23 ARG CA 1 1 7 2231 1 1 23 ARG CB C -5.609 0.142 -3.034 1.00 . A A . 23 ARG CB 1 1 7 2232 1 1 23 ARG CD C -7.844 1.293 -3.060 1.00 . A A . 23 ARG CD 1 1 7 2233 1 1 23 ARG CG C -6.351 1.452 -2.820 1.00 . A A . 23 ARG CG 1 1 7 2234 1 1 23 ARG CZ C -8.716 0.391 -0.947 1.00 . A A . 23 ARG CZ 1 1 7 2235 1 1 23 ARG H H -3.514 1.954 -3.781 1.00 . A A . 23 ARG H 1 1 7 2236 1 1 23 ARG HA H -4.275 -0.816 -4.405 1.00 . A A . 23 ARG HA 1 1 7 2237 1 1 23 ARG HB3 H -5.081 -0.099 -2.125 1.00 . A A . 23 ARG HB3 1 1 7 2238 1 1 23 ARG HD3 H -8.003 1.049 -4.101 1.00 . A A . 23 ARG HD3 1 1 7 2239 1 1 23 ARG HE H -8.601 -0.627 -2.658 1.00 . A A . 23 ARG HE 1 1 7 2240 1 1 23 ARG HG3 H -5.961 2.191 -3.502 1.00 . A A . 23 ARG HG3 1 1 7 2241 1 1 23 ARG HH11 H -8.094 2.311 -0.860 1.00 . A A . 23 ARG HH11 1 1 7 2242 1 1 23 ARG HH12 H -8.711 1.663 0.624 1.00 . A A . 23 ARG HH12 1 1 7 2243 1 1 23 ARG HH21 H -9.416 -1.490 -0.711 1.00 . A A . 23 ARG HH21 1 1 7 2244 1 1 23 ARG HH22 H -9.462 -0.500 0.708 1.00 . A A . 23 ARG HH22 1 1 7 2245 1 1 23 ARG N N -3.440 0.977 -3.816 1.00 . A A . 23 ARG N 1 1 7 2246 1 1 23 ARG NE N -8.423 0.238 -2.233 1.00 . A A . 23 ARG NE 1 1 7 2247 1 1 23 ARG NH1 N -8.488 1.550 -0.344 1.00 . A A . 23 ARG NH1 1 1 7 2248 1 1 23 ARG NH2 N -9.241 -0.616 -0.260 1.00 . A A . 23 ARG NH2 1 1 7 2249 1 1 23 ARG O O -6.448 0.495 -5.702 1.00 . A A . 23 ARG O 1 1 7 2250 1 1 24 ASP C C -6.168 3.149 -7.086 1.00 . A A . 24 ASP C 1 1 7 2251 1 1 24 ASP CA C -5.044 2.169 -7.408 1.00 . A A . 24 ASP CA 1 1 7 2252 1 1 24 ASP CB C -5.549 1.093 -8.371 1.00 . A A . 24 ASP CB 1 1 7 2253 1 1 24 ASP CG C -4.576 0.828 -9.504 1.00 . A A . 24 ASP CG 1 1 7 2254 1 1 24 ASP H H -3.597 1.732 -5.925 1.00 . A A . 24 ASP H 1 1 7 2255 1 1 24 ASP HA H -4.236 2.709 -7.877 1.00 . A A . 24 ASP HA 1 1 7 2256 1 1 24 ASP HB3 H -6.489 1.411 -8.794 1.00 . A A . 24 ASP HB3 1 1 7 2257 1 1 24 ASP N N -4.524 1.556 -6.191 1.00 . A A . 24 ASP N 1 1 7 2258 1 1 24 ASP O O -7.194 2.769 -6.525 1.00 . A A . 24 ASP O 1 1 7 2259 1 1 24 ASP OD1 O -3.415 0.470 -9.217 1.00 . A A . 24 ASP OD1 1 1 7 2260 1 1 24 ASP OD2 O -4.977 0.979 -10.677 1.00 . A A . 24 ASP OD2 1 1 7 2261 1 1 25 GLY C C -6.807 6.068 -5.820 1.00 . A A . 25 GLY C 1 1 7 2262 1 1 25 GLY CA C -6.969 5.428 -7.185 1.00 . A A . 25 GLY CA 1 1 7 2263 1 1 25 GLY H H -5.127 4.658 -7.890 1.00 . A A . 25 GLY H 1 1 7 2264 1 1 25 GLY HA2 H -6.894 6.195 -7.941 1.00 . A A . 25 GLY HA2 1 1 7 2265 1 1 25 GLY HA3 H -7.947 4.973 -7.243 1.00 . A A . 25 GLY HA3 1 1 7 2266 1 1 25 GLY N N -5.965 4.413 -7.444 1.00 . A A . 25 GLY N 1 1 7 2267 1 1 25 GLY O O -6.943 7.283 -5.676 1.00 . A A . 25 GLY O 1 1 7 2268 1 1 26 LEU C C -4.877 5.653 -3.031 1.00 . A A . 26 LEU C 1 1 7 2269 1 1 26 LEU CA C -6.340 5.740 -3.454 1.00 . A A . 26 LEU CA 1 1 7 2270 1 1 26 LEU CB C -7.212 4.941 -2.483 1.00 . A A . 26 LEU CB 1 1 7 2271 1 1 26 LEU CD1 C -9.662 4.456 -2.686 1.00 . A A . 26 LEU CD1 1 1 7 2272 1 1 26 LEU CD2 C -8.820 5.852 -0.788 1.00 . A A . 26 LEU CD2 1 1 7 2273 1 1 26 LEU CG C -8.624 5.479 -2.251 1.00 . A A . 26 LEU CG 1 1 7 2274 1 1 26 LEU H H -6.423 4.289 -4.992 1.00 . A A . 26 LEU H 1 1 7 2275 1 1 26 LEU HA H -6.647 6.775 -3.432 1.00 . A A . 26 LEU HA 1 1 7 2276 1 1 26 LEU HB3 H -6.705 4.917 -1.528 1.00 . A A . 26 LEU HB3 1 1 7 2277 1 1 26 LEU HD11 H -9.603 3.588 -2.047 1.00 . A A . 26 LEU HD11 1 1 7 2278 1 1 26 LEU HD12 H -9.474 4.165 -3.709 1.00 . A A . 26 LEU HD12 1 1 7 2279 1 1 26 LEU HD13 H -10.648 4.892 -2.613 1.00 . A A . 26 LEU HD13 1 1 7 2280 1 1 26 LEU HD21 H -8.250 5.178 -0.166 1.00 . A A . 26 LEU HD21 1 1 7 2281 1 1 26 LEU HD22 H -9.868 5.777 -0.536 1.00 . A A . 26 LEU HD22 1 1 7 2282 1 1 26 LEU HD23 H -8.482 6.865 -0.627 1.00 . A A . 26 LEU HD23 1 1 7 2283 1 1 26 LEU HG H -8.765 6.371 -2.846 1.00 . A A . 26 LEU HG 1 1 7 2284 1 1 26 LEU N N -6.518 5.248 -4.815 1.00 . A A . 26 LEU N 1 1 7 2285 1 1 26 LEU O O -4.449 4.699 -2.380 1.00 . A A . 26 LEU O 1 1 7 2286 1 1 27 PRO C C -2.424 6.970 -1.587 1.00 . A A . 27 PRO C 1 1 7 2287 1 1 27 PRO CA C -2.664 6.736 -3.074 1.00 . A A . 27 PRO CA 1 1 7 2288 1 1 27 PRO CB C -2.162 7.929 -3.892 1.00 . A A . 27 PRO CB 1 1 7 2289 1 1 27 PRO CD C -4.534 7.843 -4.184 1.00 . A A . 27 PRO CD 1 1 7 2290 1 1 27 PRO CG C -3.365 8.784 -4.090 1.00 . A A . 27 PRO CG 1 1 7 2291 1 1 27 PRO HA H -2.144 5.841 -3.384 1.00 . A A . 27 PRO HA 1 1 7 2292 1 1 27 PRO HB3 H -1.765 7.583 -4.834 1.00 . A A . 27 PRO HB3 1 1 7 2293 1 1 27 PRO HD3 H -4.719 7.573 -5.212 1.00 . A A . 27 PRO HD3 1 1 7 2294 1 1 27 PRO HG3 H -3.266 9.350 -5.005 1.00 . A A . 27 PRO HG3 1 1 7 2295 1 1 27 PRO N N -4.091 6.672 -3.406 1.00 . A A . 27 PRO N 1 1 7 2296 1 1 27 PRO O O -1.450 7.616 -1.199 1.00 . A A . 27 PRO O 1 1 8 2297 1 1 1 SER C C -4.183 5.094 0.207 1.00 . A A . 1 SER C 1 1 8 2298 1 1 1 SER CA C -3.945 6.205 -0.811 1.00 . A A . 1 SER CA 1 1 8 2299 1 1 1 SER CB C -5.250 6.955 -1.081 1.00 . A A . 1 SER CB 1 1 8 2300 1 1 1 SER H1 H -3.929 5.006 -2.555 1.00 . A A . 1 SER H1 1 1 8 2301 1 1 1 SER HA H -3.219 6.897 -0.407 1.00 . A A . 1 SER HA 1 1 8 2302 1 1 1 SER HB3 H -5.033 7.876 -1.602 1.00 . A A . 1 SER HB3 1 1 8 2303 1 1 1 SER HG H -7.030 6.491 -1.756 1.00 . A A . 1 SER HG 1 1 8 2304 1 1 1 SER N N -3.405 5.665 -2.053 1.00 . A A . 1 SER N 1 1 8 2305 1 1 1 SER O O -5.324 4.799 0.565 1.00 . A A . 1 SER O 1 1 8 2306 1 1 1 SER OG O -6.130 6.177 -1.874 1.00 . A A . 1 SER OG 1 1 8 2307 1 1 2 CYS C C -1.970 3.397 2.565 1.00 . A A . 2 CYS C 1 1 8 2308 1 1 2 CYS CA C -3.188 3.403 1.647 1.00 . A A . 2 CYS CA 1 1 8 2309 1 1 2 CYS CB C -3.311 2.053 0.937 1.00 . A A . 2 CYS CB 1 1 8 2310 1 1 2 CYS H H -2.216 4.763 0.348 1.00 . A A . 2 CYS H 1 1 8 2311 1 1 2 CYS HA H -4.072 3.567 2.243 1.00 . A A . 2 CYS HA 1 1 8 2312 1 1 2 CYS HB3 H -2.330 1.611 0.848 1.00 . A A . 2 CYS HB3 1 1 8 2313 1 1 2 CYS N N -3.099 4.482 0.671 1.00 . A A . 2 CYS N 1 1 8 2314 1 1 2 CYS O O -0.844 3.622 2.121 1.00 . A A . 2 CYS O 1 1 8 2315 1 1 2 CYS SG S -4.384 0.856 1.794 1.00 . A A . 2 CYS SG 1 1 8 2316 1 1 3 GLY C C -0.562 1.713 5.015 1.00 . A A . 3 GLY C 1 1 8 2317 1 1 3 GLY CA C -1.115 3.110 4.809 1.00 . A A . 3 GLY CA 1 1 8 2318 1 1 3 GLY H H -3.121 2.968 4.145 1.00 . A A . 3 GLY H 1 1 8 2319 1 1 3 GLY HA2 H -0.321 3.753 4.457 1.00 . A A . 3 GLY HA2 1 1 8 2320 1 1 3 GLY HA3 H -1.476 3.485 5.755 1.00 . A A . 3 GLY HA3 1 1 8 2321 1 1 3 GLY N N -2.202 3.140 3.848 1.00 . A A . 3 GLY N 1 1 8 2322 1 1 3 GLY O O -0.537 0.905 4.089 1.00 . A A . 3 GLY O 1 1 8 2323 1 1 4 GLY C C 1.866 -0.030 6.057 1.00 . A A . 4 GLY C 1 1 8 2324 1 1 4 GLY CA C 0.436 0.122 6.538 1.00 . A A . 4 GLY CA 1 1 8 2325 1 1 4 GLY H H -0.160 2.115 6.935 1.00 . A A . 4 GLY H 1 1 8 2326 1 1 4 GLY HA2 H 0.409 -0.030 7.607 1.00 . A A . 4 GLY HA2 1 1 8 2327 1 1 4 GLY HA3 H -0.173 -0.631 6.061 1.00 . A A . 4 GLY HA3 1 1 8 2328 1 1 4 GLY N N -0.115 1.430 6.235 1.00 . A A . 4 GLY N 1 1 8 2329 1 1 4 GLY O O 2.277 0.621 5.096 1.00 . A A . 4 GLY O 1 1 8 2330 1 1 5 SER C C 4.143 -2.297 5.404 1.00 . A A . 5 SER C 1 1 8 2331 1 1 5 SER CA C 4.020 -1.120 6.368 1.00 . A A . 5 SER CA 1 1 8 2332 1 1 5 SER CB C 4.856 -1.383 7.621 1.00 . A A . 5 SER CB 1 1 8 2333 1 1 5 SER H H 2.240 -1.377 7.486 1.00 . A A . 5 SER H 1 1 8 2334 1 1 5 SER HA H 4.388 -0.230 5.879 1.00 . A A . 5 SER HA 1 1 8 2335 1 1 5 SER HB3 H 5.471 -0.518 7.828 1.00 . A A . 5 SER HB3 1 1 8 2336 1 1 5 SER HG H 4.117 -0.914 9.374 1.00 . A A . 5 SER HG 1 1 8 2337 1 1 5 SER N N 2.625 -0.889 6.728 1.00 . A A . 5 SER N 1 1 8 2338 1 1 5 SER O O 3.287 -3.180 5.372 1.00 . A A . 5 SER O 1 1 8 2339 1 1 5 SER OG O 4.028 -1.633 8.743 1.00 . A A . 5 SER OG 1 1 8 2340 1 1 6 CYS C C 6.223 -4.520 4.297 1.00 . A A . 6 CYS C 1 1 8 2341 1 1 6 CYS CA C 5.455 -3.368 3.655 1.00 . A A . 6 CYS CA 1 1 8 2342 1 1 6 CYS CB C 6.231 -2.831 2.451 1.00 . A A . 6 CYS CB 1 1 8 2343 1 1 6 CYS H H 5.865 -1.569 4.693 1.00 . A A . 6 CYS H 1 1 8 2344 1 1 6 CYS HA H 4.496 -3.733 3.321 1.00 . A A . 6 CYS HA 1 1 8 2345 1 1 6 CYS HB3 H 6.814 -3.632 2.022 1.00 . A A . 6 CYS HB3 1 1 8 2346 1 1 6 CYS N N 5.217 -2.302 4.621 1.00 . A A . 6 CYS N 1 1 8 2347 1 1 6 CYS O O 6.189 -5.651 3.809 1.00 . A A . 6 CYS O 1 1 8 2348 1 1 6 CYS SG S 5.177 -2.142 1.135 1.00 . A A . 6 CYS SG 1 1 8 2349 1 1 7 PHE C C 6.779 -6.178 6.878 1.00 . A A . 7 PHE C 1 1 8 2350 1 1 7 PHE CA C 7.693 -5.236 6.100 1.00 . A A . 7 PHE CA 1 1 8 2351 1 1 7 PHE CB C 8.687 -4.569 7.053 1.00 . A A . 7 PHE CB 1 1 8 2352 1 1 7 PHE CD1 C 10.463 -6.293 6.645 1.00 . A A . 7 PHE CD1 1 1 8 2353 1 1 7 PHE CD2 C 10.083 -5.567 8.884 1.00 . A A . 7 PHE CD2 1 1 8 2354 1 1 7 PHE CE1 C 11.458 -7.147 7.086 1.00 . A A . 7 PHE CE1 1 1 8 2355 1 1 7 PHE CE2 C 11.077 -6.418 9.330 1.00 . A A . 7 PHE CE2 1 1 8 2356 1 1 7 PHE CG C 9.766 -5.496 7.537 1.00 . A A . 7 PHE CG 1 1 8 2357 1 1 7 PHE CZ C 11.764 -7.209 8.431 1.00 . A A . 7 PHE CZ 1 1 8 2358 1 1 7 PHE H H 6.903 -3.307 5.733 1.00 . A A . 7 PHE H 1 1 8 2359 1 1 7 PHE HA H 8.239 -5.808 5.366 1.00 . A A . 7 PHE HA 1 1 8 2360 1 1 7 PHE HB3 H 8.154 -4.200 7.916 1.00 . A A . 7 PHE HB3 1 1 8 2361 1 1 7 PHE HD1 H 10.224 -6.246 5.592 1.00 . A A . 7 PHE HD1 1 1 8 2362 1 1 7 PHE HD2 H 9.546 -4.949 9.588 1.00 . A A . 7 PHE HD2 1 1 8 2363 1 1 7 PHE HE1 H 11.993 -7.764 6.380 1.00 . A A . 7 PHE HE1 1 1 8 2364 1 1 7 PHE HE2 H 11.314 -6.465 10.384 1.00 . A A . 7 PHE HE2 1 1 8 2365 1 1 7 PHE HZ H 12.541 -7.874 8.778 1.00 . A A . 7 PHE HZ 1 1 8 2366 1 1 7 PHE N N 6.916 -4.226 5.392 1.00 . A A . 7 PHE N 1 1 8 2367 1 1 7 PHE O O 7.188 -7.267 7.279 1.00 . A A . 7 PHE O 1 1 8 2368 1 1 8 GLY C C 3.236 -6.637 7.131 1.00 . A A . 8 GLY C 1 1 8 2369 1 1 8 GLY CA C 4.585 -6.568 7.817 1.00 . A A . 8 GLY CA 1 1 8 2370 1 1 8 GLY H H 5.266 -4.873 6.745 1.00 . A A . 8 GLY H 1 1 8 2371 1 1 8 GLY HA2 H 4.982 -7.568 7.911 1.00 . A A . 8 GLY HA2 1 1 8 2372 1 1 8 GLY HA3 H 4.452 -6.150 8.805 1.00 . A A . 8 GLY HA3 1 1 8 2373 1 1 8 GLY N N 5.538 -5.751 7.088 1.00 . A A . 8 GLY N 1 1 8 2374 1 1 8 GLY O O 2.218 -6.900 7.771 1.00 . A A . 8 GLY O 1 1 8 2375 1 1 9 GLY C C 1.296 -5.092 5.017 1.00 . A A . 9 GLY C 1 1 8 2376 1 1 9 GLY CA C 1.986 -6.441 5.071 1.00 . A A . 9 GLY CA 1 1 8 2377 1 1 9 GLY H H 4.068 -6.196 5.364 1.00 . A A . 9 GLY H 1 1 8 2378 1 1 9 GLY HA2 H 2.199 -6.764 4.063 1.00 . A A . 9 GLY HA2 1 1 8 2379 1 1 9 GLY HA3 H 1.320 -7.153 5.533 1.00 . A A . 9 GLY HA3 1 1 8 2380 1 1 9 GLY N N 3.226 -6.400 5.823 1.00 . A A . 9 GLY N 1 1 8 2381 1 1 9 GLY O O 1.118 -4.437 6.044 1.00 . A A . 9 GLY O 1 1 8 2382 1 1 10 CYS C C -1.106 -3.375 4.357 1.00 . A A . 10 CYS C 1 1 8 2383 1 1 10 CYS CA C 0.237 -3.394 3.632 1.00 . A A . 10 CYS CA 1 1 8 2384 1 1 10 CYS CB C 0.028 -3.113 2.142 1.00 . A A . 10 CYS CB 1 1 8 2385 1 1 10 CYS H H 1.079 -5.241 3.035 1.00 . A A . 10 CYS H 1 1 8 2386 1 1 10 CYS HA H 0.867 -2.624 4.049 1.00 . A A . 10 CYS HA 1 1 8 2387 1 1 10 CYS HB3 H -0.877 -2.538 2.016 1.00 . A A . 10 CYS HB3 1 1 8 2388 1 1 10 CYS N N 0.908 -4.674 3.817 1.00 . A A . 10 CYS N 1 1 8 2389 1 1 10 CYS O O -1.543 -4.388 4.904 1.00 . A A . 10 CYS O 1 1 8 2390 1 1 10 CYS SG S 1.389 -2.186 1.364 1.00 . A A . 10 CYS SG 1 1 8 2391 1 1 11 TRP C C -4.019 -3.149 4.562 1.00 . A A . 11 TRP C 1 1 8 2392 1 1 11 TRP CA C -3.048 -2.065 5.015 1.00 . A A . 11 TRP CA 1 1 8 2393 1 1 11 TRP CB C -3.635 -0.683 4.721 1.00 . A A . 11 TRP CB 1 1 8 2394 1 1 11 TRP CD1 C -2.987 0.237 7.023 1.00 . A A . 11 TRP CD1 1 1 8 2395 1 1 11 TRP CD2 C -4.927 1.026 6.229 1.00 . A A . 11 TRP CD2 1 1 8 2396 1 1 11 TRP CE2 C -4.688 1.606 7.491 1.00 . A A . 11 TRP CE2 1 1 8 2397 1 1 11 TRP CE3 C -6.089 1.375 5.537 1.00 . A A . 11 TRP CE3 1 1 8 2398 1 1 11 TRP CG C -3.826 0.155 5.950 1.00 . A A . 11 TRP CG 1 1 8 2399 1 1 11 TRP CH2 C -6.701 2.837 7.371 1.00 . A A . 11 TRP CH2 1 1 8 2400 1 1 11 TRP CZ2 C -5.571 2.512 8.072 1.00 . A A . 11 TRP CZ2 1 1 8 2401 1 1 11 TRP CZ3 C -6.964 2.275 6.115 1.00 . A A . 11 TRP CZ3 1 1 8 2402 1 1 11 TRP H H -1.357 -1.443 3.905 1.00 . A A . 11 TRP H 1 1 8 2403 1 1 11 TRP HA H -2.892 -2.160 6.079 1.00 . A A . 11 TRP HA 1 1 8 2404 1 1 11 TRP HB3 H -4.598 -0.802 4.245 1.00 . A A . 11 TRP HB3 1 1 8 2405 1 1 11 TRP HD1 H -2.061 -0.309 7.115 1.00 . A A . 11 TRP HD1 1 1 8 2406 1 1 11 TRP HE1 H -3.080 1.335 8.811 1.00 . A A . 11 TRP HE1 1 1 8 2407 1 1 11 TRP HE3 H -6.308 0.954 4.567 1.00 . A A . 11 TRP HE3 1 1 8 2408 1 1 11 TRP HH2 H -7.413 3.534 7.785 1.00 . A A . 11 TRP HH2 1 1 8 2409 1 1 11 TRP HZ2 H -5.383 2.954 9.039 1.00 . A A . 11 TRP HZ2 1 1 8 2410 1 1 11 TRP HZ3 H -7.868 2.557 5.594 1.00 . A A . 11 TRP HZ3 1 1 8 2411 1 1 11 TRP N N -1.756 -2.216 4.358 1.00 . A A . 11 TRP N 1 1 8 2412 1 1 11 TRP NE1 N -3.500 1.108 7.955 1.00 . A A . 11 TRP NE1 1 1 8 2413 1 1 11 TRP O O -3.787 -3.875 3.579 1.00 . A A . 11 TRP O 1 1 8 2414 1 1 12 HYP C C -6.919 -3.998 3.698 1.00 . A A . 12 HYP C 1 1 8 2415 1 1 12 HYP CA C -6.175 -4.281 4.992 1.00 . A A . 12 HYP CA 1 1 8 2416 1 1 12 HYP CB C -7.126 -4.184 6.197 1.00 . A A . 12 HYP CB 1 1 8 2417 1 1 12 HYP CD C -5.508 -2.476 6.452 1.00 . A A . 12 HYP CD 1 1 8 2418 1 1 12 HYP CG C -6.350 -3.439 7.221 1.00 . A A . 12 HYP CG 1 1 8 2419 1 1 12 HYP HA H -5.751 -5.274 4.948 1.00 . A A . 12 HYP HA 1 1 8 2420 1 1 12 HYP HB2 H -7.380 -5.176 6.541 1.00 . A A . 12 HYP HB2 1 1 8 2421 1 1 12 HYP HB3 H -8.023 -3.650 5.915 1.00 . A A . 12 HYP HB3 1 1 8 2422 1 1 12 HYP HD1 H -5.349 -5.245 7.345 1.00 . A A . 12 HYP HD1 1 1 8 2423 1 1 12 HYP HD22 H -6.430 -1.702 6.349 1.00 . A A . 12 HYP HD22 1 1 8 2424 1 1 12 HYP HD23 H -4.935 -2.174 7.194 1.00 . A A . 12 HYP HD23 1 1 8 2425 1 1 12 HYP HG H -7.218 -3.246 7.977 1.00 . A A . 12 HYP HG 1 1 8 2426 1 1 12 HYP N N -5.145 -3.279 5.284 1.00 . A A . 12 HYP N 1 1 8 2427 1 1 12 HYP O O -7.614 -2.993 3.561 1.00 . A A . 12 HYP O 1 1 8 2428 1 1 12 HYP OD1 O -5.555 -4.499 7.927 1.00 . A A . 12 HYP OD1 1 1 8 2429 1 1 13 GLY C C -6.552 -4.010 0.447 1.00 . A A . 13 GLY C 1 1 8 2430 1 1 13 GLY CA C -7.416 -4.745 1.452 1.00 . A A . 13 GLY CA 1 1 8 2431 1 1 13 GLY H H -6.194 -5.687 2.902 1.00 . A A . 13 GLY H 1 1 8 2432 1 1 13 GLY HA2 H -7.656 -5.722 1.059 1.00 . A A . 13 GLY HA2 1 1 8 2433 1 1 13 GLY HA3 H -8.333 -4.191 1.595 1.00 . A A . 13 GLY HA3 1 1 8 2434 1 1 13 GLY N N -6.760 -4.904 2.737 1.00 . A A . 13 GLY N 1 1 8 2435 1 1 13 GLY O O -7.041 -3.553 -0.587 1.00 . A A . 13 GLY O 1 1 8 2436 1 1 14 CYS C C -3.162 -4.116 -0.503 1.00 . A A . 14 CYS C 1 1 8 2437 1 1 14 CYS CA C -4.329 -3.206 -0.132 1.00 . A A . 14 CYS CA 1 1 8 2438 1 1 14 CYS CB C -3.805 -1.933 0.535 1.00 . A A . 14 CYS CB 1 1 8 2439 1 1 14 CYS H H -4.933 -4.278 1.590 1.00 . A A . 14 CYS H 1 1 8 2440 1 1 14 CYS HA H -4.860 -2.937 -1.033 1.00 . A A . 14 CYS HA 1 1 8 2441 1 1 14 CYS HB3 H -2.911 -1.609 0.024 1.00 . A A . 14 CYS HB3 1 1 8 2442 1 1 14 CYS N N -5.264 -3.893 0.750 1.00 . A A . 14 CYS N 1 1 8 2443 1 1 14 CYS O O -3.133 -5.289 -0.130 1.00 . A A . 14 CYS O 1 1 8 2444 1 1 14 CYS SG S -4.987 -0.546 0.522 1.00 . A A . 14 CYS SG 1 1 8 2445 1 1 15 SER C C 0.229 -3.476 -1.594 1.00 . A A . 15 SER C 1 1 8 2446 1 1 15 SER CA C -1.033 -4.330 -1.665 1.00 . A A . 15 SER CA 1 1 8 2447 1 1 15 SER CB C -1.230 -4.853 -3.089 1.00 . A A . 15 SER CB 1 1 8 2448 1 1 15 SER H H -2.282 -2.627 -1.507 1.00 . A A . 15 SER H 1 1 8 2449 1 1 15 SER HA H -0.925 -5.170 -0.994 1.00 . A A . 15 SER HA 1 1 8 2450 1 1 15 SER HB3 H -0.706 -5.792 -3.201 1.00 . A A . 15 SER HB3 1 1 8 2451 1 1 15 SER HG H -2.693 -5.741 -4.042 1.00 . A A . 15 SER HG 1 1 8 2452 1 1 15 SER N N -2.201 -3.567 -1.240 1.00 . A A . 15 SER N 1 1 8 2453 1 1 15 SER O O 0.158 -2.250 -1.493 1.00 . A A . 15 SER O 1 1 8 2454 1 1 15 SER OG O -2.603 -5.059 -3.372 1.00 . A A . 15 SER OG 1 1 8 2455 1 1 16 CYS C C 3.273 -3.301 -2.981 1.00 . A A . 16 CYS C 1 1 8 2456 1 1 16 CYS CA C 2.662 -3.435 -1.589 1.00 . A A . 16 CYS CA 1 1 8 2457 1 1 16 CYS CB C 3.629 -4.178 -0.666 1.00 . A A . 16 CYS CB 1 1 8 2458 1 1 16 CYS H H 1.374 -5.109 -1.728 1.00 . A A . 16 CYS H 1 1 8 2459 1 1 16 CYS HA H 2.485 -2.448 -1.190 1.00 . A A . 16 CYS HA 1 1 8 2460 1 1 16 CYS HB3 H 3.820 -5.160 -1.072 1.00 . A A . 16 CYS HB3 1 1 8 2461 1 1 16 CYS N N 1.383 -4.132 -1.647 1.00 . A A . 16 CYS N 1 1 8 2462 1 1 16 CYS O O 3.204 -4.224 -3.792 1.00 . A A . 16 CYS O 1 1 8 2463 1 1 16 CYS SG S 5.236 -3.346 -0.447 1.00 . A A . 16 CYS SG 1 1 8 2464 1 1 17 TYR C C 5.498 -0.746 -4.448 1.00 . A A . 17 TYR C 1 1 8 2465 1 1 17 TYR CA C 4.491 -1.888 -4.544 1.00 . A A . 17 TYR CA 1 1 8 2466 1 1 17 TYR CB C 3.423 -1.555 -5.587 1.00 . A A . 17 TYR CB 1 1 8 2467 1 1 17 TYR CD1 C 4.156 -2.386 -7.857 1.00 . A A . 17 TYR CD1 1 1 8 2468 1 1 17 TYR CD2 C 4.340 -0.054 -7.400 1.00 . A A . 17 TYR CD2 1 1 8 2469 1 1 17 TYR CE1 C 4.667 -2.183 -9.124 1.00 . A A . 17 TYR CE1 1 1 8 2470 1 1 17 TYR CE2 C 4.851 0.159 -8.666 1.00 . A A . 17 TYR CE2 1 1 8 2471 1 1 17 TYR CG C 3.983 -1.327 -6.974 1.00 . A A . 17 TYR CG 1 1 8 2472 1 1 17 TYR CZ C 5.013 -0.909 -9.524 1.00 . A A . 17 TYR CZ 1 1 8 2473 1 1 17 TYR H H 3.892 -1.447 -2.562 1.00 . A A . 17 TYR H 1 1 8 2474 1 1 17 TYR HA H 5.010 -2.786 -4.847 1.00 . A A . 17 TYR HA 1 1 8 2475 1 1 17 TYR HB3 H 2.904 -0.657 -5.287 1.00 . A A . 17 TYR HB3 1 1 8 2476 1 1 17 TYR HD1 H 3.884 -3.382 -7.541 1.00 . A A . 17 TYR HD1 1 1 8 2477 1 1 17 TYR HD2 H 4.213 0.780 -6.725 1.00 . A A . 17 TYR HD2 1 1 8 2478 1 1 17 TYR HE1 H 4.794 -3.019 -9.796 1.00 . A A . 17 TYR HE1 1 1 8 2479 1 1 17 TYR HE2 H 5.121 1.156 -8.978 1.00 . A A . 17 TYR HE2 1 1 8 2480 1 1 17 TYR HH H 4.978 -1.160 -11.430 1.00 . A A . 17 TYR HH 1 1 8 2481 1 1 17 TYR N N 3.870 -2.145 -3.250 1.00 . A A . 17 TYR N 1 1 8 2482 1 1 17 TYR O O 5.180 0.337 -3.957 1.00 . A A . 17 TYR O 1 1 8 2483 1 1 17 TYR OH O 5.523 -0.701 -10.785 1.00 . A A . 17 TYR OH 1 1 8 2484 1 1 18 ALA C C 7.997 0.524 -3.475 1.00 . A A . 18 ALA C 1 1 8 2485 1 1 18 ALA CA C 7.768 0.010 -4.892 1.00 . A A . 18 ALA CA 1 1 8 2486 1 1 18 ALA CB C 7.423 1.162 -5.824 1.00 . A A . 18 ALA CB 1 1 8 2487 1 1 18 ALA H H 6.906 -1.879 -5.300 1.00 . A A . 18 ALA H 1 1 8 2488 1 1 18 ALA HA H 8.679 -0.450 -5.249 1.00 . A A . 18 ALA HA 1 1 8 2489 1 1 18 ALA HB1 H 6.468 1.579 -5.542 1.00 . A A . 18 ALA HB1 1 1 8 2490 1 1 18 ALA HB2 H 8.185 1.923 -5.752 1.00 . A A . 18 ALA HB2 1 1 8 2491 1 1 18 ALA HB3 H 7.371 0.799 -6.840 1.00 . A A . 18 ALA HB3 1 1 8 2492 1 1 18 ALA N N 6.714 -0.997 -4.921 1.00 . A A . 18 ALA N 1 1 8 2493 1 1 18 ALA O O 8.044 1.732 -3.243 1.00 . A A . 18 ALA O 1 1 8 2494 1 1 19 ARG C C 7.217 0.825 -0.609 1.00 . A A . 19 ARG C 1 1 8 2495 1 1 19 ARG CA C 8.359 -0.039 -1.135 1.00 . A A . 19 ARG CA 1 1 8 2496 1 1 19 ARG CB C 9.687 0.704 -0.984 1.00 . A A . 19 ARG CB 1 1 8 2497 1 1 19 ARG CD C 10.910 0.298 1.175 1.00 . A A . 19 ARG CD 1 1 8 2498 1 1 19 ARG CG C 10.764 -0.108 -0.283 1.00 . A A . 19 ARG CG 1 1 8 2499 1 1 19 ARG CZ C 12.842 -1.051 1.873 1.00 . A A . 19 ARG CZ 1 1 8 2500 1 1 19 ARG H H 8.090 -1.347 -2.777 1.00 . A A . 19 ARG H 1 1 8 2501 1 1 19 ARG HA H 8.400 -0.952 -0.559 1.00 . A A . 19 ARG HA 1 1 8 2502 1 1 19 ARG HB3 H 9.519 1.605 -0.414 1.00 . A A . 19 ARG HB3 1 1 8 2503 1 1 19 ARG HD3 H 9.928 0.493 1.580 1.00 . A A . 19 ARG HD3 1 1 8 2504 1 1 19 ARG HE H 10.998 -1.234 2.612 1.00 . A A . 19 ARG HE 1 1 8 2505 1 1 19 ARG HG3 H 11.706 0.049 -0.788 1.00 . A A . 19 ARG HG3 1 1 8 2506 1 1 19 ARG HH11 H 13.235 0.321 0.443 1.00 . A A . 19 ARG HH11 1 1 8 2507 1 1 19 ARG HH12 H 14.588 -0.637 0.944 1.00 . A A . 19 ARG HH12 1 1 8 2508 1 1 19 ARG HH21 H 12.773 -2.501 3.280 1.00 . A A . 19 ARG HH21 1 1 8 2509 1 1 19 ARG HH22 H 14.324 -2.243 2.558 1.00 . A A . 19 ARG HH22 1 1 8 2510 1 1 19 ARG N N 8.138 -0.400 -2.531 1.00 . A A . 19 ARG N 1 1 8 2511 1 1 19 ARG NE N 11.554 -0.742 1.972 1.00 . A A . 19 ARG NE 1 1 8 2512 1 1 19 ARG NH1 N 13.619 -0.403 1.016 1.00 . A A . 19 ARG NH1 1 1 8 2513 1 1 19 ARG NH2 N 13.356 -2.010 2.633 1.00 . A A . 19 ARG NH2 1 1 8 2514 1 1 19 ARG O O 7.366 1.530 0.390 1.00 . A A . 19 ARG O 1 1 8 2515 1 1 20 THR C C 3.648 0.688 -0.903 1.00 . A A . 20 THR C 1 1 8 2516 1 1 20 THR CA C 4.910 1.544 -0.891 1.00 . A A . 20 THR CA 1 1 8 2517 1 1 20 THR CB C 4.702 2.757 -1.817 1.00 . A A . 20 THR CB 1 1 8 2518 1 1 20 THR CG2 C 4.327 3.993 -1.012 1.00 . A A . 20 THR CG2 1 1 8 2519 1 1 20 THR H H 6.019 0.186 -2.076 1.00 . A A . 20 THR H 1 1 8 2520 1 1 20 THR HA H 5.077 1.908 0.112 1.00 . A A . 20 THR HA 1 1 8 2521 1 1 20 THR HB H 3.897 2.535 -2.502 1.00 . A A . 20 THR HB 1 1 8 2522 1 1 20 THR HG1 H 6.614 3.219 -1.962 1.00 . A A . 20 THR HG1 1 1 8 2523 1 1 20 THR HG21 H 4.201 3.723 0.025 1.00 . A A . 20 THR HG21 1 1 8 2524 1 1 20 THR HG22 H 3.403 4.404 -1.392 1.00 . A A . 20 THR HG22 1 1 8 2525 1 1 20 THR HG23 H 5.111 4.731 -1.100 1.00 . A A . 20 THR HG23 1 1 8 2526 1 1 20 THR N N 6.076 0.766 -1.288 1.00 . A A . 20 THR N 1 1 8 2527 1 1 20 THR O O 3.715 -0.531 -1.056 1.00 . A A . 20 THR O 1 1 8 2528 1 1 20 THR OG1 O 5.895 3.012 -2.565 1.00 . A A . 20 THR OG1 1 1 8 2529 1 1 21 CYS C C 0.291 1.185 -1.811 1.00 . A A . 21 CYS C 1 1 8 2530 1 1 21 CYS CA C 1.220 0.634 -0.733 1.00 . A A . 21 CYS CA 1 1 8 2531 1 1 21 CYS CB C 0.556 0.755 0.640 1.00 . A A . 21 CYS CB 1 1 8 2532 1 1 21 CYS H H 2.510 2.308 -0.623 1.00 . A A . 21 CYS H 1 1 8 2533 1 1 21 CYS HA H 1.413 -0.409 -0.940 1.00 . A A . 21 CYS HA 1 1 8 2534 1 1 21 CYS HB3 H -0.481 0.465 0.556 1.00 . A A . 21 CYS HB3 1 1 8 2535 1 1 21 CYS N N 2.498 1.335 -0.741 1.00 . A A . 21 CYS N 1 1 8 2536 1 1 21 CYS O O 0.620 2.156 -2.493 1.00 . A A . 21 CYS O 1 1 8 2537 1 1 21 CYS SG S 1.320 -0.281 1.929 1.00 . A A . 21 CYS SG 1 1 8 2538 1 1 22 PHE C C -3.241 0.462 -2.607 1.00 . A A . 22 PHE C 1 1 8 2539 1 1 22 PHE CA C -1.850 0.986 -2.952 1.00 . A A . 22 PHE CA 1 1 8 2540 1 1 22 PHE CB C -1.440 0.499 -4.343 1.00 . A A . 22 PHE CB 1 1 8 2541 1 1 22 PHE CD1 C -0.940 2.630 -5.570 1.00 . A A . 22 PHE CD1 1 1 8 2542 1 1 22 PHE CD2 C -2.765 1.292 -6.321 1.00 . A A . 22 PHE CD2 1 1 8 2543 1 1 22 PHE CE1 C -1.195 3.547 -6.573 1.00 . A A . 22 PHE CE1 1 1 8 2544 1 1 22 PHE CE2 C -3.024 2.205 -7.325 1.00 . A A . 22 PHE CE2 1 1 8 2545 1 1 22 PHE CG C -1.721 1.493 -5.434 1.00 . A A . 22 PHE CG 1 1 8 2546 1 1 22 PHE CZ C -2.240 3.334 -7.450 1.00 . A A . 22 PHE CZ 1 1 8 2547 1 1 22 PHE H H -1.077 -0.210 -1.384 1.00 . A A . 22 PHE H 1 1 8 2548 1 1 22 PHE HA H -1.874 2.064 -2.950 1.00 . A A . 22 PHE HA 1 1 8 2549 1 1 22 PHE HB3 H -1.980 -0.409 -4.573 1.00 . A A . 22 PHE HB3 1 1 8 2550 1 1 22 PHE HD1 H -0.122 2.797 -4.882 1.00 . A A . 22 PHE HD1 1 1 8 2551 1 1 22 PHE HD2 H -3.381 0.409 -6.224 1.00 . A A . 22 PHE HD2 1 1 8 2552 1 1 22 PHE HE1 H -0.579 4.428 -6.667 1.00 . A A . 22 PHE HE1 1 1 8 2553 1 1 22 PHE HE2 H -3.842 2.037 -8.011 1.00 . A A . 22 PHE HE2 1 1 8 2554 1 1 22 PHE HZ H -2.440 4.049 -8.235 1.00 . A A . 22 PHE HZ 1 1 8 2555 1 1 22 PHE N N -0.873 0.558 -1.958 1.00 . A A . 22 PHE N 1 1 8 2556 1 1 22 PHE O O -3.390 -0.662 -2.126 1.00 . A A . 22 PHE O 1 1 8 2557 1 1 23 ARG C C -6.477 0.922 -3.841 1.00 . A A . 23 ARG C 1 1 8 2558 1 1 23 ARG CA C -5.634 0.905 -2.570 1.00 . A A . 23 ARG CA 1 1 8 2559 1 1 23 ARG CB C -6.240 1.851 -1.531 1.00 . A A . 23 ARG CB 1 1 8 2560 1 1 23 ARG CD C -7.891 3.719 -1.841 1.00 . A A . 23 ARG CD 1 1 8 2561 1 1 23 ARG CG C -6.455 3.264 -2.045 1.00 . A A . 23 ARG CG 1 1 8 2562 1 1 23 ARG CZ C -9.416 4.116 0.045 1.00 . A A . 23 ARG CZ 1 1 8 2563 1 1 23 ARG H H -4.072 2.167 -3.239 1.00 . A A . 23 ARG H 1 1 8 2564 1 1 23 ARG HA H -5.626 -0.098 -2.170 1.00 . A A . 23 ARG HA 1 1 8 2565 1 1 23 ARG HB3 H -5.580 1.898 -0.677 1.00 . A A . 23 ARG HB3 1 1 8 2566 1 1 23 ARG HD3 H -8.554 2.944 -2.197 1.00 . A A . 23 ARG HD3 1 1 8 2567 1 1 23 ARG HE H -7.427 4.075 0.178 1.00 . A A . 23 ARG HE 1 1 8 2568 1 1 23 ARG HG3 H -6.224 3.292 -3.100 1.00 . A A . 23 ARG HG3 1 1 8 2569 1 1 23 ARG HH11 H -10.325 3.818 -1.735 1.00 . A A . 23 ARG HH11 1 1 8 2570 1 1 23 ARG HH12 H -11.389 4.099 -0.396 1.00 . A A . 23 ARG HH12 1 1 8 2571 1 1 23 ARG HH21 H -8.818 4.446 1.948 1.00 . A A . 23 ARG HH21 1 1 8 2572 1 1 23 ARG HH22 H -10.531 4.457 1.698 1.00 . A A . 23 ARG HH22 1 1 8 2573 1 1 23 ARG N N -4.255 1.284 -2.856 1.00 . A A . 23 ARG N 1 1 8 2574 1 1 23 ARG NE N -8.186 3.987 -0.435 1.00 . A A . 23 ARG NE 1 1 8 2575 1 1 23 ARG NH1 N -10.463 4.002 -0.761 1.00 . A A . 23 ARG NH1 1 1 8 2576 1 1 23 ARG NH2 N -9.604 4.359 1.337 1.00 . A A . 23 ARG NH2 1 1 8 2577 1 1 23 ARG O O -7.699 1.049 -3.786 1.00 . A A . 23 ARG O 1 1 8 2578 1 1 24 ASP C C -7.132 2.154 -6.552 1.00 . A A . 24 ASP C 1 1 8 2579 1 1 24 ASP CA C -6.502 0.793 -6.271 1.00 . A A . 24 ASP CA 1 1 8 2580 1 1 24 ASP CB C -7.576 -0.295 -6.299 1.00 . A A . 24 ASP CB 1 1 8 2581 1 1 24 ASP CG C -7.196 -1.462 -7.189 1.00 . A A . 24 ASP CG 1 1 8 2582 1 1 24 ASP H H -4.839 0.695 -4.965 1.00 . A A . 24 ASP H 1 1 8 2583 1 1 24 ASP HA H -5.772 0.584 -7.038 1.00 . A A . 24 ASP HA 1 1 8 2584 1 1 24 ASP HB3 H -8.500 0.129 -6.667 1.00 . A A . 24 ASP HB3 1 1 8 2585 1 1 24 ASP N N -5.814 0.794 -4.986 1.00 . A A . 24 ASP N 1 1 8 2586 1 1 24 ASP O O -7.873 2.688 -5.727 1.00 . A A . 24 ASP O 1 1 8 2587 1 1 24 ASP OD1 O -5.986 -1.742 -7.315 1.00 . A A . 24 ASP OD1 1 1 8 2588 1 1 24 ASP OD2 O -8.109 -2.096 -7.760 1.00 . A A . 24 ASP OD2 1 1 8 2589 1 1 25 GLY C C -6.490 5.154 -7.640 1.00 . A A . 25 GLY C 1 1 8 2590 1 1 25 GLY CA C -7.374 4.005 -8.087 1.00 . A A . 25 GLY CA 1 1 8 2591 1 1 25 GLY H H -6.234 2.238 -8.339 1.00 . A A . 25 GLY H 1 1 8 2592 1 1 25 GLY HA2 H -7.484 4.046 -9.161 1.00 . A A . 25 GLY HA2 1 1 8 2593 1 1 25 GLY HA3 H -8.347 4.117 -7.631 1.00 . A A . 25 GLY HA3 1 1 8 2594 1 1 25 GLY N N -6.830 2.711 -7.721 1.00 . A A . 25 GLY N 1 1 8 2595 1 1 25 GLY O O -6.243 6.090 -8.402 1.00 . A A . 25 GLY O 1 1 8 2596 1 1 26 LEU C C -4.081 5.527 -4.948 1.00 . A A . 26 LEU C 1 1 8 2597 1 1 26 LEU CA C -5.153 6.125 -5.854 1.00 . A A . 26 LEU CA 1 1 8 2598 1 1 26 LEU CB C -5.986 7.144 -5.074 1.00 . A A . 26 LEU CB 1 1 8 2599 1 1 26 LEU CD1 C -8.194 8.270 -4.700 1.00 . A A . 26 LEU CD1 1 1 8 2600 1 1 26 LEU CD2 C -7.066 8.443 -6.926 1.00 . A A . 26 LEU CD2 1 1 8 2601 1 1 26 LEU CG C -7.312 7.557 -5.713 1.00 . A A . 26 LEU CG 1 1 8 2602 1 1 26 LEU H H -6.245 4.313 -5.843 1.00 . A A . 26 LEU H 1 1 8 2603 1 1 26 LEU HA H -4.670 6.625 -6.680 1.00 . A A . 26 LEU HA 1 1 8 2604 1 1 26 LEU HB3 H -5.386 8.034 -4.948 1.00 . A A . 26 LEU HB3 1 1 8 2605 1 1 26 LEU HD11 H -7.633 9.063 -4.228 1.00 . A A . 26 LEU HD11 1 1 8 2606 1 1 26 LEU HD12 H -8.522 7.565 -3.951 1.00 . A A . 26 LEU HD12 1 1 8 2607 1 1 26 LEU HD13 H -9.055 8.687 -5.203 1.00 . A A . 26 LEU HD13 1 1 8 2608 1 1 26 LEU HD21 H -7.272 9.472 -6.668 1.00 . A A . 26 LEU HD21 1 1 8 2609 1 1 26 LEU HD22 H -7.716 8.138 -7.733 1.00 . A A . 26 LEU HD22 1 1 8 2610 1 1 26 LEU HD23 H -6.036 8.349 -7.237 1.00 . A A . 26 LEU HD23 1 1 8 2611 1 1 26 LEU HG H -7.836 6.672 -6.047 1.00 . A A . 26 LEU HG 1 1 8 2612 1 1 26 LEU N N -6.013 5.084 -6.402 1.00 . A A . 26 LEU N 1 1 8 2613 1 1 26 LEU O O -4.258 4.460 -4.359 1.00 . A A . 26 LEU O 1 1 8 2614 1 1 27 PRO C C -2.143 5.869 -2.507 1.00 . A A . 27 PRO C 1 1 8 2615 1 1 27 PRO CA C -1.824 5.787 -3.996 1.00 . A A . 27 PRO CA 1 1 8 2616 1 1 27 PRO CB C -0.705 6.767 -4.358 1.00 . A A . 27 PRO CB 1 1 8 2617 1 1 27 PRO CD C -2.667 7.509 -5.505 1.00 . A A . 27 PRO CD 1 1 8 2618 1 1 27 PRO CG C -1.411 7.990 -4.832 1.00 . A A . 27 PRO CG 1 1 8 2619 1 1 27 PRO HA H -1.518 4.782 -4.242 1.00 . A A . 27 PRO HA 1 1 8 2620 1 1 27 PRO HB3 H -0.087 6.342 -5.134 1.00 . A A . 27 PRO HB3 1 1 8 2621 1 1 27 PRO HD3 H -2.496 7.359 -6.560 1.00 . A A . 27 PRO HD3 1 1 8 2622 1 1 27 PRO HG3 H -0.789 8.522 -5.538 1.00 . A A . 27 PRO HG3 1 1 8 2623 1 1 27 PRO N N -2.945 6.230 -4.831 1.00 . A A . 27 PRO N 1 1 8 2624 1 1 27 PRO O O -1.241 5.932 -1.672 1.00 . A A . 27 PRO O 1 1 9 2625 1 1 1 SER C C -4.427 5.080 1.016 1.00 . A A . 1 SER C 1 1 9 2626 1 1 1 SER CA C -4.330 6.383 0.227 1.00 . A A . 1 SER CA 1 1 9 2627 1 1 1 SER CB C -5.658 7.139 0.306 1.00 . A A . 1 SER CB 1 1 9 2628 1 1 1 SER H1 H -4.281 5.292 -1.588 1.00 . A A . 1 SER H1 1 1 9 2629 1 1 1 SER HA H -3.551 6.993 0.657 1.00 . A A . 1 SER HA 1 1 9 2630 1 1 1 SER HB3 H -5.596 8.033 -0.298 1.00 . A A . 1 SER HB3 1 1 9 2631 1 1 1 SER HG H -7.544 6.612 0.263 1.00 . A A . 1 SER HG 1 1 9 2632 1 1 1 SER N N -3.979 6.122 -1.164 1.00 . A A . 1 SER N 1 1 9 2633 1 1 1 SER O O -5.491 4.465 1.093 1.00 . A A . 1 SER O 1 1 9 2634 1 1 1 SER OG O -6.729 6.342 -0.167 1.00 . A A . 1 SER OG 1 1 9 2635 1 1 2 CYS C C -2.056 3.428 3.314 1.00 . A A . 2 CYS C 1 1 9 2636 1 1 2 CYS CA C -3.264 3.435 2.381 1.00 . A A . 2 CYS CA 1 1 9 2637 1 1 2 CYS CB C -3.214 2.219 1.456 1.00 . A A . 2 CYS CB 1 1 9 2638 1 1 2 CYS H H -2.490 5.198 1.501 1.00 . A A . 2 CYS H 1 1 9 2639 1 1 2 CYS HA H -4.162 3.388 2.977 1.00 . A A . 2 CYS HA 1 1 9 2640 1 1 2 CYS HB3 H -2.267 1.716 1.584 1.00 . A A . 2 CYS HB3 1 1 9 2641 1 1 2 CYS N N -3.308 4.665 1.599 1.00 . A A . 2 CYS N 1 1 9 2642 1 1 2 CYS O O -0.953 3.809 2.922 1.00 . A A . 2 CYS O 1 1 9 2643 1 1 2 CYS SG S -4.535 1.000 1.759 1.00 . A A . 2 CYS SG 1 1 9 2644 1 1 3 GLY C C -0.521 1.583 5.569 1.00 . A A . 3 GLY C 1 1 9 2645 1 1 3 GLY CA C -1.194 2.941 5.520 1.00 . A A . 3 GLY CA 1 1 9 2646 1 1 3 GLY H H -3.173 2.699 4.807 1.00 . A A . 3 GLY H 1 1 9 2647 1 1 3 GLY HA2 H -0.457 3.686 5.261 1.00 . A A . 3 GLY HA2 1 1 9 2648 1 1 3 GLY HA3 H -1.593 3.168 6.497 1.00 . A A . 3 GLY HA3 1 1 9 2649 1 1 3 GLY N N -2.273 2.990 4.551 1.00 . A A . 3 GLY N 1 1 9 2650 1 1 3 GLY O O -0.383 0.913 4.547 1.00 . A A . 3 GLY O 1 1 9 2651 1 1 4 GLY C C 1.947 -0.125 6.308 1.00 . A A . 4 GLY C 1 1 9 2652 1 1 4 GLY CA C 0.560 -0.107 6.919 1.00 . A A . 4 GLY CA 1 1 9 2653 1 1 4 GLY H H -0.234 1.753 7.543 1.00 . A A . 4 GLY H 1 1 9 2654 1 1 4 GLY HA2 H 0.639 -0.334 7.972 1.00 . A A . 4 GLY HA2 1 1 9 2655 1 1 4 GLY HA3 H -0.040 -0.868 6.441 1.00 . A A . 4 GLY HA3 1 1 9 2656 1 1 4 GLY N N -0.098 1.176 6.763 1.00 . A A . 4 GLY N 1 1 9 2657 1 1 4 GLY O O 2.207 0.562 5.321 1.00 . A A . 4 GLY O 1 1 9 2658 1 1 5 SER C C 4.381 -2.235 5.515 1.00 . A A . 5 SER C 1 1 9 2659 1 1 5 SER CA C 4.213 -1.012 6.410 1.00 . A A . 5 SER CA 1 1 9 2660 1 1 5 SER CB C 5.190 -1.085 7.584 1.00 . A A . 5 SER CB 1 1 9 2661 1 1 5 SER H H 2.574 -1.435 7.682 1.00 . A A . 5 SER H 1 1 9 2662 1 1 5 SER HA H 4.423 -0.126 5.831 1.00 . A A . 5 SER HA 1 1 9 2663 1 1 5 SER HB3 H 5.697 -0.137 7.686 1.00 . A A . 5 SER HB3 1 1 9 2664 1 1 5 SER HG H 5.110 -1.830 9.393 1.00 . A A . 5 SER HG 1 1 9 2665 1 1 5 SER N N 2.842 -0.911 6.898 1.00 . A A . 5 SER N 1 1 9 2666 1 1 5 SER O O 3.693 -3.243 5.683 1.00 . A A . 5 SER O 1 1 9 2667 1 1 5 SER OG O 4.514 -1.376 8.795 1.00 . A A . 5 SER OG 1 1 9 2668 1 1 6 CYS C C 6.297 -4.377 4.340 1.00 . A A . 6 CYS C 1 1 9 2669 1 1 6 CYS CA C 5.564 -3.238 3.637 1.00 . A A . 6 CYS CA 1 1 9 2670 1 1 6 CYS CB C 6.387 -2.744 2.446 1.00 . A A . 6 CYS CB 1 1 9 2671 1 1 6 CYS H H 5.819 -1.311 4.476 1.00 . A A . 6 CYS H 1 1 9 2672 1 1 6 CYS HA H 4.613 -3.604 3.279 1.00 . A A . 6 CYS HA 1 1 9 2673 1 1 6 CYS HB3 H 7.009 -3.551 2.089 1.00 . A A . 6 CYS HB3 1 1 9 2674 1 1 6 CYS N N 5.302 -2.141 4.561 1.00 . A A . 6 CYS N 1 1 9 2675 1 1 6 CYS O O 6.243 -5.527 3.902 1.00 . A A . 6 CYS O 1 1 9 2676 1 1 6 CYS SG S 5.386 -2.153 1.044 1.00 . A A . 6 CYS SG 1 1 9 2677 1 1 7 PHE C C 6.795 -5.837 7.108 1.00 . A A . 7 PHE C 1 1 9 2678 1 1 7 PHE CA C 7.724 -5.045 6.194 1.00 . A A . 7 PHE CA 1 1 9 2679 1 1 7 PHE CB C 8.819 -4.369 7.023 1.00 . A A . 7 PHE CB 1 1 9 2680 1 1 7 PHE CD1 C 10.848 -5.802 6.670 1.00 . A A . 7 PHE CD1 1 1 9 2681 1 1 7 PHE CD2 C 9.872 -5.736 8.845 1.00 . A A . 7 PHE CD2 1 1 9 2682 1 1 7 PHE CE1 C 11.814 -6.678 7.126 1.00 . A A . 7 PHE CE1 1 1 9 2683 1 1 7 PHE CE2 C 10.836 -6.612 9.307 1.00 . A A . 7 PHE CE2 1 1 9 2684 1 1 7 PHE CG C 9.867 -5.321 7.523 1.00 . A A . 7 PHE CG 1 1 9 2685 1 1 7 PHE CZ C 11.808 -7.083 8.447 1.00 . A A . 7 PHE CZ 1 1 9 2686 1 1 7 PHE H H 6.984 -3.115 5.730 1.00 . A A . 7 PHE H 1 1 9 2687 1 1 7 PHE HA H 8.185 -5.724 5.492 1.00 . A A . 7 PHE HA 1 1 9 2688 1 1 7 PHE HB3 H 8.367 -3.891 7.880 1.00 . A A . 7 PHE HB3 1 1 9 2689 1 1 7 PHE HD1 H 10.854 -5.484 5.638 1.00 . A A . 7 PHE HD1 1 1 9 2690 1 1 7 PHE HD2 H 9.111 -5.367 9.519 1.00 . A A . 7 PHE HD2 1 1 9 2691 1 1 7 PHE HE1 H 12.573 -7.045 6.452 1.00 . A A . 7 PHE HE1 1 1 9 2692 1 1 7 PHE HE2 H 10.829 -6.927 10.340 1.00 . A A . 7 PHE HE2 1 1 9 2693 1 1 7 PHE HZ H 12.562 -7.769 8.806 1.00 . A A . 7 PHE HZ 1 1 9 2694 1 1 7 PHE N N 6.980 -4.050 5.431 1.00 . A A . 7 PHE N 1 1 9 2695 1 1 7 PHE O O 7.152 -6.907 7.600 1.00 . A A . 7 PHE O 1 1 9 2696 1 1 8 GLY C C 3.258 -6.053 7.557 1.00 . A A . 8 GLY C 1 1 9 2697 1 1 8 GLY CA C 4.635 -5.971 8.188 1.00 . A A . 8 GLY CA 1 1 9 2698 1 1 8 GLY H H 5.367 -4.446 6.914 1.00 . A A . 8 GLY H 1 1 9 2699 1 1 8 GLY HA2 H 4.985 -6.971 8.393 1.00 . A A . 8 GLY HA2 1 1 9 2700 1 1 8 GLY HA3 H 4.559 -5.429 9.118 1.00 . A A . 8 GLY HA3 1 1 9 2701 1 1 8 GLY N N 5.598 -5.303 7.333 1.00 . A A . 8 GLY N 1 1 9 2702 1 1 8 GLY O O 2.259 -6.223 8.252 1.00 . A A . 8 GLY O 1 1 9 2703 1 1 9 GLY C C 1.289 -4.629 5.386 1.00 . A A . 9 GLY C 1 1 9 2704 1 1 9 GLY CA C 1.938 -5.991 5.532 1.00 . A A . 9 GLY CA 1 1 9 2705 1 1 9 GLY H H 4.037 -5.794 5.730 1.00 . A A . 9 GLY H 1 1 9 2706 1 1 9 GLY HA2 H 2.103 -6.408 4.549 1.00 . A A . 9 GLY HA2 1 1 9 2707 1 1 9 GLY HA3 H 1.269 -6.639 6.079 1.00 . A A . 9 GLY HA3 1 1 9 2708 1 1 9 GLY N N 3.207 -5.930 6.234 1.00 . A A . 9 GLY N 1 1 9 2709 1 1 9 GLY O O 1.252 -3.846 6.335 1.00 . A A . 9 GLY O 1 1 9 2710 1 1 10 CYS C C -1.247 -3.006 4.584 1.00 . A A . 10 CYS C 1 1 9 2711 1 1 10 CYS CA C 0.128 -3.067 3.924 1.00 . A A . 10 CYS CA 1 1 9 2712 1 1 10 CYS CB C -0.009 -2.848 2.416 1.00 . A A . 10 CYS CB 1 1 9 2713 1 1 10 CYS H H 0.837 -5.011 3.476 1.00 . A A . 10 CYS H 1 1 9 2714 1 1 10 CYS HA H 0.747 -2.287 4.338 1.00 . A A . 10 CYS HA 1 1 9 2715 1 1 10 CYS HB3 H -0.905 -2.278 2.222 1.00 . A A . 10 CYS HB3 1 1 9 2716 1 1 10 CYS N N 0.777 -4.345 4.193 1.00 . A A . 10 CYS N 1 1 9 2717 1 1 10 CYS O O -1.727 -3.997 5.134 1.00 . A A . 10 CYS O 1 1 9 2718 1 1 10 CYS SG S 1.391 -1.955 1.666 1.00 . A A . 10 CYS SG 1 1 9 2719 1 1 11 TRP C C -4.175 -2.693 4.606 1.00 . A A . 11 TRP C 1 1 9 2720 1 1 11 TRP CA C -3.193 -1.646 5.117 1.00 . A A . 11 TRP CA 1 1 9 2721 1 1 11 TRP CB C -3.716 -0.242 4.805 1.00 . A A . 11 TRP CB 1 1 9 2722 1 1 11 TRP CD1 C -3.134 0.653 7.136 1.00 . A A . 11 TRP CD1 1 1 9 2723 1 1 11 TRP CD2 C -5.018 1.498 6.269 1.00 . A A . 11 TRP CD2 1 1 9 2724 1 1 11 TRP CE2 C -4.813 2.066 7.541 1.00 . A A . 11 TRP CE2 1 1 9 2725 1 1 11 TRP CE3 C -6.141 1.881 5.533 1.00 . A A . 11 TRP CE3 1 1 9 2726 1 1 11 TRP CG C -3.931 0.596 6.029 1.00 . A A . 11 TRP CG 1 1 9 2727 1 1 11 TRP CH2 C -6.785 3.353 7.348 1.00 . A A . 11 TRP CH2 1 1 9 2728 1 1 11 TRP CZ2 C -5.693 2.996 8.091 1.00 . A A . 11 TRP CZ2 1 1 9 2729 1 1 11 TRP CZ3 C -7.013 2.803 6.079 1.00 . A A . 11 TRP CZ3 1 1 9 2730 1 1 11 TRP H H -1.438 -1.083 4.074 1.00 . A A . 11 TRP H 1 1 9 2731 1 1 11 TRP HA H -3.093 -1.753 6.187 1.00 . A A . 11 TRP HA 1 1 9 2732 1 1 11 TRP HB3 H -4.659 -0.325 4.287 1.00 . A A . 11 TRP HB3 1 1 9 2733 1 1 11 TRP HD1 H -2.226 0.080 7.261 1.00 . A A . 11 TRP HD1 1 1 9 2734 1 1 11 TRP HE1 H -3.267 1.748 8.923 1.00 . A A . 11 TRP HE1 1 1 9 2735 1 1 11 TRP HE3 H -6.334 1.468 4.553 1.00 . A A . 11 TRP HE3 1 1 9 2736 1 1 11 TRP HH2 H -7.492 4.069 7.735 1.00 . A A . 11 TRP HH2 1 1 9 2737 1 1 11 TRP HZ2 H -5.530 3.429 9.067 1.00 . A A . 11 TRP HZ2 1 1 9 2738 1 1 11 TRP HZ3 H -7.888 3.111 5.525 1.00 . A A . 11 TRP HZ3 1 1 9 2739 1 1 11 TRP N N -1.873 -1.836 4.525 1.00 . A A . 11 TRP N 1 1 9 2740 1 1 11 TRP NE1 N -3.658 1.534 8.049 1.00 . A A . 11 TRP NE1 1 1 9 2741 1 1 11 TRP O O -3.906 -3.435 3.645 1.00 . A A . 11 TRP O 1 1 9 2742 1 1 12 HYP C C -7.043 -3.430 3.556 1.00 . A A . 12 HYP C 1 1 9 2743 1 1 12 HYP CA C -6.398 -3.733 4.898 1.00 . A A . 12 HYP CA 1 1 9 2744 1 1 12 HYP CB C -7.423 -3.588 6.037 1.00 . A A . 12 HYP CB 1 1 9 2745 1 1 12 HYP CD C -5.756 -1.945 6.390 1.00 . A A . 12 HYP CD 1 1 9 2746 1 1 12 HYP CG C -6.686 -2.866 7.106 1.00 . A A . 12 HYP CG 1 1 9 2747 1 1 12 HYP HA H -6.014 -4.742 4.888 1.00 . A A . 12 HYP HA 1 1 9 2748 1 1 12 HYP HB2 H -7.739 -4.566 6.368 1.00 . A A . 12 HYP HB2 1 1 9 2749 1 1 12 HYP HB3 H -8.276 -3.019 5.693 1.00 . A A . 12 HYP HB3 1 1 9 2750 1 1 12 HYP HD1 H -5.791 -4.685 7.321 1.00 . A A . 12 HYP HD1 1 1 9 2751 1 1 12 HYP HD22 H -6.499 -1.098 6.164 1.00 . A A . 12 HYP HD22 1 1 9 2752 1 1 12 HYP HD23 H -5.099 -1.668 7.106 1.00 . A A . 12 HYP HD23 1 1 9 2753 1 1 12 HYP HG H -7.509 -2.513 7.787 1.00 . A A . 12 HYP HG 1 1 9 2754 1 1 12 HYP N N -5.350 -2.771 5.252 1.00 . A A . 12 HYP N 1 1 9 2755 1 1 12 HYP O O -7.639 -2.374 3.351 1.00 . A A . 12 HYP O 1 1 9 2756 1 1 12 HYP OD1 O -5.961 -3.904 7.869 1.00 . A A . 12 HYP OD1 1 1 9 2757 1 1 13 GLY C C -6.495 -3.597 0.328 1.00 . A A . 13 GLY C 1 1 9 2758 1 1 13 GLY CA C -7.481 -4.205 1.307 1.00 . A A . 13 GLY CA 1 1 9 2759 1 1 13 GLY H H -6.427 -5.200 2.850 1.00 . A A . 13 GLY H 1 1 9 2760 1 1 13 GLY HA2 H -7.796 -5.168 0.934 1.00 . A A . 13 GLY HA2 1 1 9 2761 1 1 13 GLY HA3 H -8.343 -3.559 1.380 1.00 . A A . 13 GLY HA3 1 1 9 2762 1 1 13 GLY N N -6.913 -4.378 2.631 1.00 . A A . 13 GLY N 1 1 9 2763 1 1 13 GLY O O -6.874 -3.185 -0.768 1.00 . A A . 13 GLY O 1 1 9 2764 1 1 14 CYS C C -3.057 -3.981 -0.337 1.00 . A A . 14 CYS C 1 1 9 2765 1 1 14 CYS CA C -4.186 -2.977 -0.124 1.00 . A A . 14 CYS CA 1 1 9 2766 1 1 14 CYS CB C -3.632 -1.693 0.497 1.00 . A A . 14 CYS CB 1 1 9 2767 1 1 14 CYS H H -4.989 -3.885 1.611 1.00 . A A . 14 CYS H 1 1 9 2768 1 1 14 CYS HA H -4.628 -2.742 -1.080 1.00 . A A . 14 CYS HA 1 1 9 2769 1 1 14 CYS HB3 H -2.648 -1.504 0.096 1.00 . A A . 14 CYS HB3 1 1 9 2770 1 1 14 CYS N N -5.229 -3.540 0.724 1.00 . A A . 14 CYS N 1 1 9 2771 1 1 14 CYS O O -3.134 -5.123 0.116 1.00 . A A . 14 CYS O 1 1 9 2772 1 1 14 CYS SG S -4.653 -0.216 0.184 1.00 . A A . 14 CYS SG 1 1 9 2773 1 1 15 SER C C 0.435 -3.604 -1.289 1.00 . A A . 15 SER C 1 1 9 2774 1 1 15 SER CA C -0.863 -4.406 -1.304 1.00 . A A . 15 SER CA 1 1 9 2775 1 1 15 SER CB C -1.033 -5.097 -2.657 1.00 . A A . 15 SER CB 1 1 9 2776 1 1 15 SER H H -2.006 -2.624 -1.362 1.00 . A A . 15 SER H 1 1 9 2777 1 1 15 SER HA H -0.819 -5.156 -0.529 1.00 . A A . 15 SER HA 1 1 9 2778 1 1 15 SER HB3 H -0.422 -5.987 -2.683 1.00 . A A . 15 SER HB3 1 1 9 2779 1 1 15 SER HG H -2.509 -6.386 -2.633 1.00 . A A . 15 SER HG 1 1 9 2780 1 1 15 SER N N -2.008 -3.545 -1.028 1.00 . A A . 15 SER N 1 1 9 2781 1 1 15 SER O O 0.418 -2.374 -1.246 1.00 . A A . 15 SER O 1 1 9 2782 1 1 15 SER OG O -2.384 -5.466 -2.876 1.00 . A A . 15 SER OG 1 1 9 2783 1 1 16 CYS C C 3.445 -3.589 -2.727 1.00 . A A . 16 CYS C 1 1 9 2784 1 1 16 CYS CA C 2.867 -3.668 -1.317 1.00 . A A . 16 CYS CA 1 1 9 2785 1 1 16 CYS CB C 3.828 -4.433 -0.403 1.00 . A A . 16 CYS CB 1 1 9 2786 1 1 16 CYS H H 1.508 -5.290 -1.361 1.00 . A A . 16 CYS H 1 1 9 2787 1 1 16 CYS HA H 2.743 -2.666 -0.936 1.00 . A A . 16 CYS HA 1 1 9 2788 1 1 16 CYS HB3 H 3.961 -5.431 -0.790 1.00 . A A . 16 CYS HB3 1 1 9 2789 1 1 16 CYS N N 1.559 -4.310 -1.326 1.00 . A A . 16 CYS N 1 1 9 2790 1 1 16 CYS O O 3.511 -4.590 -3.440 1.00 . A A . 16 CYS O 1 1 9 2791 1 1 16 CYS SG S 5.476 -3.670 -0.252 1.00 . A A . 16 CYS SG 1 1 9 2792 1 1 17 TYR C C 5.251 -0.893 -4.490 1.00 . A A . 17 TYR C 1 1 9 2793 1 1 17 TYR CA C 4.431 -2.179 -4.449 1.00 . A A . 17 TYR CA 1 1 9 2794 1 1 17 TYR CB C 3.321 -2.124 -5.500 1.00 . A A . 17 TYR CB 1 1 9 2795 1 1 17 TYR CD1 C 4.116 -0.709 -7.434 1.00 . A A . 17 TYR CD1 1 1 9 2796 1 1 17 TYR CD2 C 4.040 -3.072 -7.728 1.00 . A A . 17 TYR CD2 1 1 9 2797 1 1 17 TYR CE1 C 4.584 -0.557 -8.725 1.00 . A A . 17 TYR CE1 1 1 9 2798 1 1 17 TYR CE2 C 4.509 -2.931 -9.019 1.00 . A A . 17 TYR CE2 1 1 9 2799 1 1 17 TYR CG C 3.835 -1.965 -6.914 1.00 . A A . 17 TYR CG 1 1 9 2800 1 1 17 TYR CZ C 4.779 -1.673 -9.514 1.00 . A A . 17 TYR CZ 1 1 9 2801 1 1 17 TYR H H 3.783 -1.630 -2.510 1.00 . A A . 17 TYR H 1 1 9 2802 1 1 17 TYR HA H 5.080 -3.015 -4.667 1.00 . A A . 17 TYR HA 1 1 9 2803 1 1 17 TYR HB3 H 2.673 -1.288 -5.286 1.00 . A A . 17 TYR HB3 1 1 9 2804 1 1 17 TYR HD1 H 3.962 0.163 -6.814 1.00 . A A . 17 TYR HD1 1 1 9 2805 1 1 17 TYR HD2 H 3.828 -4.057 -7.338 1.00 . A A . 17 TYR HD2 1 1 9 2806 1 1 17 TYR HE1 H 4.796 0.428 -9.112 1.00 . A A . 17 TYR HE1 1 1 9 2807 1 1 17 TYR HE2 H 4.662 -3.804 -9.638 1.00 . A A . 17 TYR HE2 1 1 9 2808 1 1 17 TYR HH H 6.198 -1.660 -10.811 1.00 . A A . 17 TYR HH 1 1 9 2809 1 1 17 TYR N N 3.861 -2.391 -3.123 1.00 . A A . 17 TYR N 1 1 9 2810 1 1 17 TYR O O 4.768 0.177 -4.121 1.00 . A A . 17 TYR O 1 1 9 2811 1 1 17 TYR OH O 5.248 -1.527 -10.800 1.00 . A A . 17 TYR OH 1 1 9 2812 1 1 18 ALA C C 7.670 0.730 -3.658 1.00 . A A . 18 ALA C 1 1 9 2813 1 1 18 ALA CA C 7.383 0.146 -5.036 1.00 . A A . 18 ALA CA 1 1 9 2814 1 1 18 ALA CB C 6.778 1.204 -5.946 1.00 . A A . 18 ALA CB 1 1 9 2815 1 1 18 ALA H H 6.823 -1.887 -5.222 1.00 . A A . 18 ALA H 1 1 9 2816 1 1 18 ALA HA H 8.313 -0.184 -5.477 1.00 . A A . 18 ALA HA 1 1 9 2817 1 1 18 ALA HB1 H 7.557 1.872 -6.286 1.00 . A A . 18 ALA HB1 1 1 9 2818 1 1 18 ALA HB2 H 6.316 0.726 -6.797 1.00 . A A . 18 ALA HB2 1 1 9 2819 1 1 18 ALA HB3 H 6.035 1.766 -5.400 1.00 . A A . 18 ALA HB3 1 1 9 2820 1 1 18 ALA N N 6.495 -1.008 -4.943 1.00 . A A . 18 ALA N 1 1 9 2821 1 1 18 ALA O O 7.633 1.946 -3.469 1.00 . A A . 18 ALA O 1 1 9 2822 1 1 19 ARG C C 7.114 1.150 -0.784 1.00 . A A . 19 ARG C 1 1 9 2823 1 1 19 ARG CA C 8.246 0.288 -1.335 1.00 . A A . 19 ARG CA 1 1 9 2824 1 1 19 ARG CB C 9.561 1.067 -1.294 1.00 . A A . 19 ARG CB 1 1 9 2825 1 1 19 ARG CD C 11.253 -0.037 0.201 1.00 . A A . 19 ARG CD 1 1 9 2826 1 1 19 ARG CG C 10.793 0.179 -1.232 1.00 . A A . 19 ARG CG 1 1 9 2827 1 1 19 ARG CZ C 10.859 -2.451 0.458 1.00 . A A . 19 ARG CZ 1 1 9 2828 1 1 19 ARG H H 7.968 -1.100 -2.909 1.00 . A A . 19 ARG H 1 1 9 2829 1 1 19 ARG HA H 8.341 -0.596 -0.721 1.00 . A A . 19 ARG HA 1 1 9 2830 1 1 19 ARG HB3 H 9.560 1.705 -0.424 1.00 . A A . 19 ARG HB3 1 1 9 2831 1 1 19 ARG HD3 H 11.015 0.844 0.778 1.00 . A A . 19 ARG HD3 1 1 9 2832 1 1 19 ARG HE H 9.955 -1.028 1.525 1.00 . A A . 19 ARG HE 1 1 9 2833 1 1 19 ARG HG3 H 11.591 0.646 -1.790 1.00 . A A . 19 ARG HG3 1 1 9 2834 1 1 19 ARG HH11 H 12.211 -1.956 -0.958 1.00 . A A . 19 ARG HH11 1 1 9 2835 1 1 19 ARG HH12 H 11.924 -3.654 -0.766 1.00 . A A . 19 ARG HH12 1 1 9 2836 1 1 19 ARG HH21 H 9.569 -3.260 1.787 1.00 . A A . 19 ARG HH21 1 1 9 2837 1 1 19 ARG HH22 H 10.420 -4.395 0.794 1.00 . A A . 19 ARG HH22 1 1 9 2838 1 1 19 ARG N N 7.954 -0.143 -2.697 1.00 . A A . 19 ARG N 1 1 9 2839 1 1 19 ARG NE N 10.607 -1.195 0.814 1.00 . A A . 19 ARG NE 1 1 9 2840 1 1 19 ARG NH1 N 11.737 -2.708 -0.502 1.00 . A A . 19 ARG NH1 1 1 9 2841 1 1 19 ARG NH2 N 10.230 -3.450 1.063 1.00 . A A . 19 ARG NH2 1 1 9 2842 1 1 19 ARG O O 7.312 1.938 0.142 1.00 . A A . 19 ARG O 1 1 9 2843 1 1 20 THR C C 3.473 0.981 -1.159 1.00 . A A . 20 THR C 1 1 9 2844 1 1 20 THR CA C 4.762 1.761 -0.928 1.00 . A A . 20 THR CA 1 1 9 2845 1 1 20 THR CB C 4.671 3.110 -1.666 1.00 . A A . 20 THR CB 1 1 9 2846 1 1 20 THR CG2 C 3.900 4.128 -0.840 1.00 . A A . 20 THR CG2 1 1 9 2847 1 1 20 THR H H 5.830 0.352 -2.092 1.00 . A A . 20 THR H 1 1 9 2848 1 1 20 THR HA H 4.867 1.960 0.129 1.00 . A A . 20 THR HA 1 1 9 2849 1 1 20 THR HB H 4.150 2.957 -2.600 1.00 . A A . 20 THR HB 1 1 9 2850 1 1 20 THR HG1 H 5.923 4.500 -2.289 1.00 . A A . 20 THR HG1 1 1 9 2851 1 1 20 THR HG21 H 2.849 4.062 -1.080 1.00 . A A . 20 THR HG21 1 1 9 2852 1 1 20 THR HG22 H 4.259 5.121 -1.066 1.00 . A A . 20 THR HG22 1 1 9 2853 1 1 20 THR HG23 H 4.043 3.923 0.210 1.00 . A A . 20 THR HG23 1 1 9 2854 1 1 20 THR N N 5.925 0.996 -1.360 1.00 . A A . 20 THR N 1 1 9 2855 1 1 20 THR O O 3.457 -0.007 -1.895 1.00 . A A . 20 THR O 1 1 9 2856 1 1 20 THR OG1 O 5.985 3.608 -1.940 1.00 . A A . 20 THR OG1 1 1 9 2857 1 1 21 CYS C C 0.273 1.425 -1.766 1.00 . A A . 21 CYS C 1 1 9 2858 1 1 21 CYS CA C 1.100 0.772 -0.662 1.00 . A A . 21 CYS CA 1 1 9 2859 1 1 21 CYS CB C 0.335 0.825 0.661 1.00 . A A . 21 CYS CB 1 1 9 2860 1 1 21 CYS H H 2.470 2.220 0.048 1.00 . A A . 21 CYS H 1 1 9 2861 1 1 21 CYS HA H 1.276 -0.260 -0.925 1.00 . A A . 21 CYS HA 1 1 9 2862 1 1 21 CYS HB3 H -0.625 0.349 0.533 1.00 . A A . 21 CYS HB3 1 1 9 2863 1 1 21 CYS N N 2.394 1.428 -0.526 1.00 . A A . 21 CYS N 1 1 9 2864 1 1 21 CYS O O 0.330 2.638 -1.965 1.00 . A A . 21 CYS O 1 1 9 2865 1 1 21 CYS SG S 1.185 -0.004 2.044 1.00 . A A . 21 CYS SG 1 1 9 2866 1 1 22 PHE C C -2.495 0.153 -3.838 1.00 . A A . 22 PHE C 1 1 9 2867 1 1 22 PHE CA C -1.336 1.107 -3.565 1.00 . A A . 22 PHE CA 1 1 9 2868 1 1 22 PHE CB C -0.505 1.295 -4.836 1.00 . A A . 22 PHE CB 1 1 9 2869 1 1 22 PHE CD1 C -0.413 3.774 -5.214 1.00 . A A . 22 PHE CD1 1 1 9 2870 1 1 22 PHE CD2 C -1.664 2.441 -6.745 1.00 . A A . 22 PHE CD2 1 1 9 2871 1 1 22 PHE CE1 C -0.747 4.910 -5.927 1.00 . A A . 22 PHE CE1 1 1 9 2872 1 1 22 PHE CE2 C -2.001 3.573 -7.462 1.00 . A A . 22 PHE CE2 1 1 9 2873 1 1 22 PHE CG C -0.868 2.528 -5.614 1.00 . A A . 22 PHE CG 1 1 9 2874 1 1 22 PHE CZ C -1.541 4.809 -7.053 1.00 . A A . 22 PHE CZ 1 1 9 2875 1 1 22 PHE H H -0.500 -0.348 -2.275 1.00 . A A . 22 PHE H 1 1 9 2876 1 1 22 PHE HA H -1.735 2.063 -3.262 1.00 . A A . 22 PHE HA 1 1 9 2877 1 1 22 PHE HB3 H -0.648 0.440 -5.480 1.00 . A A . 22 PHE HB3 1 1 9 2878 1 1 22 PHE HD1 H 0.208 3.854 -4.334 1.00 . A A . 22 PHE HD1 1 1 9 2879 1 1 22 PHE HD2 H -2.025 1.473 -7.066 1.00 . A A . 22 PHE HD2 1 1 9 2880 1 1 22 PHE HE1 H -0.386 5.876 -5.605 1.00 . A A . 22 PHE HE1 1 1 9 2881 1 1 22 PHE HE2 H -2.621 3.490 -8.341 1.00 . A A . 22 PHE HE2 1 1 9 2882 1 1 22 PHE HZ H -1.803 5.695 -7.611 1.00 . A A . 22 PHE HZ 1 1 9 2883 1 1 22 PHE N N -0.496 0.610 -2.481 1.00 . A A . 22 PHE N 1 1 9 2884 1 1 22 PHE O O -2.336 -1.067 -3.778 1.00 . A A . 22 PHE O 1 1 9 2885 1 1 23 ARG C C -5.550 0.413 -5.678 1.00 . A A . 23 ARG C 1 1 9 2886 1 1 23 ARG CA C -4.846 -0.083 -4.417 1.00 . A A . 23 ARG CA 1 1 9 2887 1 1 23 ARG CB C -5.810 -0.037 -3.230 1.00 . A A . 23 ARG CB 1 1 9 2888 1 1 23 ARG CD C -7.164 1.404 -1.679 1.00 . A A . 23 ARG CD 1 1 9 2889 1 1 23 ARG CG C -5.991 1.354 -2.646 1.00 . A A . 23 ARG CG 1 1 9 2890 1 1 23 ARG CZ C -9.555 1.977 -1.701 1.00 . A A . 23 ARG CZ 1 1 9 2891 1 1 23 ARG H H -3.724 1.694 -4.170 1.00 . A A . 23 ARG H 1 1 9 2892 1 1 23 ARG HA H -4.530 -1.103 -4.573 1.00 . A A . 23 ARG HA 1 1 9 2893 1 1 23 ARG HB3 H -5.435 -0.684 -2.453 1.00 . A A . 23 ARG HB3 1 1 9 2894 1 1 23 ARG HD3 H -6.922 2.086 -0.877 1.00 . A A . 23 ARG HD3 1 1 9 2895 1 1 23 ARG HE H -8.345 2.074 -3.284 1.00 . A A . 23 ARG HE 1 1 9 2896 1 1 23 ARG HG3 H -6.169 2.053 -3.451 1.00 . A A . 23 ARG HG3 1 1 9 2897 1 1 23 ARG HH11 H -8.841 1.374 0.090 1.00 . A A . 23 ARG HH11 1 1 9 2898 1 1 23 ARG HH12 H -10.525 1.780 0.061 1.00 . A A . 23 ARG HH12 1 1 9 2899 1 1 23 ARG HH21 H -10.561 2.612 -3.335 1.00 . A A . 23 ARG HH21 1 1 9 2900 1 1 23 ARG HH22 H -11.502 2.483 -1.888 1.00 . A A . 23 ARG HH22 1 1 9 2901 1 1 23 ARG N N -3.660 0.717 -4.137 1.00 . A A . 23 ARG N 1 1 9 2902 1 1 23 ARG NE N -8.392 1.854 -2.331 1.00 . A A . 23 ARG NE 1 1 9 2903 1 1 23 ARG NH1 N -9.648 1.686 -0.410 1.00 . A A . 23 ARG NH1 1 1 9 2904 1 1 23 ARG NH2 N -10.628 2.392 -2.362 1.00 . A A . 23 ARG NH2 1 1 9 2905 1 1 23 ARG O O -6.770 0.297 -5.805 1.00 . A A . 23 ARG O 1 1 9 2906 1 1 24 ASP C C -6.224 2.679 -7.601 1.00 . A A . 24 ASP C 1 1 9 2907 1 1 24 ASP CA C -5.324 1.475 -7.855 1.00 . A A . 24 ASP CA 1 1 9 2908 1 1 24 ASP CB C -6.109 0.380 -8.579 1.00 . A A . 24 ASP CB 1 1 9 2909 1 1 24 ASP CG C -5.399 -0.115 -9.824 1.00 . A A . 24 ASP CG 1 1 9 2910 1 1 24 ASP H H -3.810 1.026 -6.445 1.00 . A A . 24 ASP H 1 1 9 2911 1 1 24 ASP HA H -4.498 1.784 -8.478 1.00 . A A . 24 ASP HA 1 1 9 2912 1 1 24 ASP HB3 H -7.075 0.768 -8.867 1.00 . A A . 24 ASP HB3 1 1 9 2913 1 1 24 ASP N N -4.775 0.963 -6.605 1.00 . A A . 24 ASP N 1 1 9 2914 1 1 24 ASP O O -6.965 2.717 -6.619 1.00 . A A . 24 ASP O 1 1 9 2915 1 1 24 ASP OD1 O -4.409 -0.862 -9.684 1.00 . A A . 24 ASP OD1 1 1 9 2916 1 1 24 ASP OD2 O -5.833 0.246 -10.937 1.00 . A A . 24 ASP OD2 1 1 9 2917 1 1 25 GLY C C -6.291 5.919 -7.499 1.00 . A A . 25 GLY C 1 1 9 2918 1 1 25 GLY CA C -6.966 4.858 -8.345 1.00 . A A . 25 GLY CA 1 1 9 2919 1 1 25 GLY H H -5.544 3.579 -9.254 1.00 . A A . 25 GLY H 1 1 9 2920 1 1 25 GLY HA2 H -7.167 5.265 -9.324 1.00 . A A . 25 GLY HA2 1 1 9 2921 1 1 25 GLY HA3 H -7.903 4.586 -7.879 1.00 . A A . 25 GLY HA3 1 1 9 2922 1 1 25 GLY N N -6.153 3.664 -8.491 1.00 . A A . 25 GLY N 1 1 9 2923 1 1 25 GLY O O -6.246 7.090 -7.879 1.00 . A A . 25 GLY O 1 1 9 2924 1 1 26 LEU C C -4.180 5.685 -4.478 1.00 . A A . 26 LEU C 1 1 9 2925 1 1 26 LEU CA C -5.089 6.437 -5.446 1.00 . A A . 26 LEU CA 1 1 9 2926 1 1 26 LEU CB C -6.115 7.258 -4.665 1.00 . A A . 26 LEU CB 1 1 9 2927 1 1 26 LEU CD1 C -7.894 6.956 -2.925 1.00 . A A . 26 LEU CD1 1 1 9 2928 1 1 26 LEU CD2 C -8.489 6.833 -5.350 1.00 . A A . 26 LEU CD2 1 1 9 2929 1 1 26 LEU CG C -7.419 6.543 -4.309 1.00 . A A . 26 LEU CG 1 1 9 2930 1 1 26 LEU H H -5.832 4.566 -6.101 1.00 . A A . 26 LEU H 1 1 9 2931 1 1 26 LEU HA H -4.486 7.102 -6.045 1.00 . A A . 26 LEU HA 1 1 9 2932 1 1 26 LEU HB3 H -6.366 8.125 -5.260 1.00 . A A . 26 LEU HB3 1 1 9 2933 1 1 26 LEU HD11 H -7.248 7.729 -2.538 1.00 . A A . 26 LEU HD11 1 1 9 2934 1 1 26 LEU HD12 H -7.867 6.100 -2.265 1.00 . A A . 26 LEU HD12 1 1 9 2935 1 1 26 LEU HD13 H -8.906 7.329 -2.988 1.00 . A A . 26 LEU HD13 1 1 9 2936 1 1 26 LEU HD21 H -9.180 7.566 -4.962 1.00 . A A . 26 LEU HD21 1 1 9 2937 1 1 26 LEU HD22 H -9.022 5.923 -5.583 1.00 . A A . 26 LEU HD22 1 1 9 2938 1 1 26 LEU HD23 H -8.023 7.216 -6.247 1.00 . A A . 26 LEU HD23 1 1 9 2939 1 1 26 LEU HG H -7.244 5.475 -4.296 1.00 . A A . 26 LEU HG 1 1 9 2940 1 1 26 LEU N N -5.766 5.511 -6.349 1.00 . A A . 26 LEU N 1 1 9 2941 1 1 26 LEU O O -4.336 4.487 -4.243 1.00 . A A . 26 LEU O 1 1 9 2942 1 1 27 PRO C C -2.910 5.471 -1.619 1.00 . A A . 27 PRO C 1 1 9 2943 1 1 27 PRO CA C -2.254 5.830 -2.948 1.00 . A A . 27 PRO CA 1 1 9 2944 1 1 27 PRO CB C -1.228 6.949 -2.752 1.00 . A A . 27 PRO CB 1 1 9 2945 1 1 27 PRO CD C -2.961 7.839 -4.135 1.00 . A A . 27 PRO CD 1 1 9 2946 1 1 27 PRO CG C -1.968 8.202 -3.065 1.00 . A A . 27 PRO CG 1 1 9 2947 1 1 27 PRO HA H -1.765 4.957 -3.355 1.00 . A A . 27 PRO HA 1 1 9 2948 1 1 27 PRO HB3 H -0.397 6.801 -3.426 1.00 . A A . 27 PRO HB3 1 1 9 2949 1 1 27 PRO HD3 H -2.537 8.002 -5.116 1.00 . A A . 27 PRO HD3 1 1 9 2950 1 1 27 PRO HG3 H -1.282 8.952 -3.431 1.00 . A A . 27 PRO HG3 1 1 9 2951 1 1 27 PRO N N -3.207 6.407 -3.901 1.00 . A A . 27 PRO N 1 1 9 2952 1 1 27 PRO O O -2.597 4.442 -1.019 1.00 . A A . 27 PRO O 1 1 10 2953 1 1 1 SER C C -4.353 5.321 0.844 1.00 . A A . 1 SER C 1 1 10 2954 1 1 1 SER CA C -4.190 6.512 -0.096 1.00 . A A . 1 SER CA 1 1 10 2955 1 1 1 SER CB C -5.476 7.339 -0.119 1.00 . A A . 1 SER CB 1 1 10 2956 1 1 1 SER H1 H -4.176 5.195 -1.755 1.00 . A A . 1 SER H1 1 1 10 2957 1 1 1 SER HA H -3.379 7.130 0.262 1.00 . A A . 1 SER HA 1 1 10 2958 1 1 1 SER HB3 H -5.368 8.146 -0.829 1.00 . A A . 1 SER HB3 1 1 10 2959 1 1 1 SER HG H -7.248 6.567 0.203 1.00 . A A . 1 SER HG 1 1 10 2960 1 1 1 SER N N -3.851 6.065 -1.442 1.00 . A A . 1 SER N 1 1 10 2961 1 1 1 SER O O -5.458 4.810 1.032 1.00 . A A . 1 SER O 1 1 10 2962 1 1 1 SER OG O -6.587 6.544 -0.494 1.00 . A A . 1 SER OG 1 1 10 2963 1 1 2 CYS C C -2.018 3.752 3.237 1.00 . A A . 2 CYS C 1 1 10 2964 1 1 2 CYS CA C -3.264 3.755 2.356 1.00 . A A . 2 CYS CA 1 1 10 2965 1 1 2 CYS CB C -3.357 2.440 1.581 1.00 . A A . 2 CYS CB 1 1 10 2966 1 1 2 CYS H H -2.394 5.333 1.245 1.00 . A A . 2 CYS H 1 1 10 2967 1 1 2 CYS HA H -4.134 3.854 2.986 1.00 . A A . 2 CYS HA 1 1 10 2968 1 1 2 CYS HB3 H -2.443 1.881 1.724 1.00 . A A . 2 CYS HB3 1 1 10 2969 1 1 2 CYS N N -3.246 4.885 1.435 1.00 . A A . 2 CYS N 1 1 10 2970 1 1 2 CYS O O -0.951 4.202 2.823 1.00 . A A . 2 CYS O 1 1 10 2971 1 1 2 CYS SG S -4.743 1.373 2.089 1.00 . A A . 2 CYS SG 1 1 10 2972 1 1 3 GLY C C -0.483 1.788 5.530 1.00 . A A . 3 GLY C 1 1 10 2973 1 1 3 GLY CA C -1.042 3.188 5.377 1.00 . A A . 3 GLY CA 1 1 10 2974 1 1 3 GLY H H -3.038 2.897 4.733 1.00 . A A . 3 GLY H 1 1 10 2975 1 1 3 GLY HA2 H -0.261 3.839 5.014 1.00 . A A . 3 GLY HA2 1 1 10 2976 1 1 3 GLY HA3 H -1.368 3.541 6.344 1.00 . A A . 3 GLY HA3 1 1 10 2977 1 1 3 GLY N N -2.163 3.241 4.456 1.00 . A A . 3 GLY N 1 1 10 2978 1 1 3 GLY O O -0.498 0.999 4.586 1.00 . A A . 3 GLY O 1 1 10 2979 1 1 4 GLY C C 1.976 0.015 6.416 1.00 . A A . 4 GLY C 1 1 10 2980 1 1 4 GLY CA C 0.575 0.164 6.977 1.00 . A A . 4 GLY CA 1 1 10 2981 1 1 4 GLY H H -0.001 2.148 7.440 1.00 . A A . 4 GLY H 1 1 10 2982 1 1 4 GLY HA2 H 0.605 -0.005 8.042 1.00 . A A . 4 GLY HA2 1 1 10 2983 1 1 4 GLY HA3 H -0.062 -0.580 6.521 1.00 . A A . 4 GLY HA3 1 1 10 2984 1 1 4 GLY N N 0.013 1.479 6.725 1.00 . A A . 4 GLY N 1 1 10 2985 1 1 4 GLY O O 2.353 0.713 5.475 1.00 . A A . 4 GLY O 1 1 10 2986 1 1 5 SER C C 4.185 -2.312 5.592 1.00 . A A . 5 SER C 1 1 10 2987 1 1 5 SER CA C 4.119 -1.130 6.555 1.00 . A A . 5 SER CA 1 1 10 2988 1 1 5 SER CB C 5.030 -1.387 7.757 1.00 . A A . 5 SER CB 1 1 10 2989 1 1 5 SER H H 2.392 -1.421 7.744 1.00 . A A . 5 SER H 1 1 10 2990 1 1 5 SER HA H 4.458 -0.242 6.041 1.00 . A A . 5 SER HA 1 1 10 2991 1 1 5 SER HB3 H 5.642 -0.514 7.936 1.00 . A A . 5 SER HB3 1 1 10 2992 1 1 5 SER HG H 4.608 -2.452 9.347 1.00 . A A . 5 SER HG 1 1 10 2993 1 1 5 SER N N 2.750 -0.896 6.998 1.00 . A A . 5 SER N 1 1 10 2994 1 1 5 SER O O 3.362 -3.225 5.656 1.00 . A A . 5 SER O 1 1 10 2995 1 1 5 SER OG O 4.271 -1.659 8.923 1.00 . A A . 5 SER OG 1 1 10 2996 1 1 6 CYS C C 6.006 -4.572 4.358 1.00 . A A . 6 CYS C 1 1 10 2997 1 1 6 CYS CA C 5.344 -3.354 3.722 1.00 . A A . 6 CYS CA 1 1 10 2998 1 1 6 CYS CB C 6.183 -2.861 2.542 1.00 . A A . 6 CYS CB 1 1 10 2999 1 1 6 CYS H H 5.794 -1.531 4.698 1.00 . A A . 6 CYS H 1 1 10 3000 1 1 6 CYS HA H 4.365 -3.638 3.363 1.00 . A A . 6 CYS HA 1 1 10 3001 1 1 6 CYS HB3 H 6.743 -3.691 2.137 1.00 . A A . 6 CYS HB3 1 1 10 3002 1 1 6 CYS N N 5.168 -2.286 4.700 1.00 . A A . 6 CYS N 1 1 10 3003 1 1 6 CYS O O 5.873 -5.692 3.866 1.00 . A A . 6 CYS O 1 1 10 3004 1 1 6 CYS SG S 5.207 -2.134 1.186 1.00 . A A . 6 CYS SG 1 1 10 3005 1 1 7 PHE C C 6.415 -6.255 6.972 1.00 . A A . 7 PHE C 1 1 10 3006 1 1 7 PHE CA C 7.403 -5.422 6.161 1.00 . A A . 7 PHE CA 1 1 10 3007 1 1 7 PHE CB C 8.484 -4.853 7.083 1.00 . A A . 7 PHE CB 1 1 10 3008 1 1 7 PHE CD1 C 10.154 -6.671 6.635 1.00 . A A . 7 PHE CD1 1 1 10 3009 1 1 7 PHE CD2 C 9.733 -6.052 8.898 1.00 . A A . 7 PHE CD2 1 1 10 3010 1 1 7 PHE CE1 C 11.068 -7.617 7.060 1.00 . A A . 7 PHE CE1 1 1 10 3011 1 1 7 PHE CE2 C 10.646 -6.996 9.331 1.00 . A A . 7 PHE CE2 1 1 10 3012 1 1 7 PHE CG C 9.477 -5.879 7.548 1.00 . A A . 7 PHE CG 1 1 10 3013 1 1 7 PHE CZ C 11.314 -7.778 8.409 1.00 . A A . 7 PHE CZ 1 1 10 3014 1 1 7 PHE H H 6.787 -3.429 5.801 1.00 . A A . 7 PHE H 1 1 10 3015 1 1 7 PHE HA H 7.869 -6.056 5.423 1.00 . A A . 7 PHE HA 1 1 10 3016 1 1 7 PHE HB3 H 8.014 -4.424 7.955 1.00 . A A . 7 PHE HB3 1 1 10 3017 1 1 7 PHE HD1 H 9.963 -6.545 5.579 1.00 . A A . 7 PHE HD1 1 1 10 3018 1 1 7 PHE HD2 H 9.210 -5.440 9.619 1.00 . A A . 7 PHE HD2 1 1 10 3019 1 1 7 PHE HE1 H 11.589 -8.227 6.338 1.00 . A A . 7 PHE HE1 1 1 10 3020 1 1 7 PHE HE2 H 10.837 -7.120 10.385 1.00 . A A . 7 PHE HE2 1 1 10 3021 1 1 7 PHE HZ H 12.027 -8.517 8.744 1.00 . A A . 7 PHE HZ 1 1 10 3022 1 1 7 PHE N N 6.719 -4.345 5.457 1.00 . A A . 7 PHE N 1 1 10 3023 1 1 7 PHE O O 6.719 -7.375 7.381 1.00 . A A . 7 PHE O 1 1 10 3024 1 1 8 GLY C C 2.855 -6.365 7.291 1.00 . A A . 8 GLY C 1 1 10 3025 1 1 8 GLY CA C 4.213 -6.403 7.962 1.00 . A A . 8 GLY CA 1 1 10 3026 1 1 8 GLY H H 5.041 -4.803 6.850 1.00 . A A . 8 GLY H 1 1 10 3027 1 1 8 GLY HA2 H 4.517 -7.433 8.080 1.00 . A A . 8 GLY HA2 1 1 10 3028 1 1 8 GLY HA3 H 4.132 -5.949 8.939 1.00 . A A . 8 GLY HA3 1 1 10 3029 1 1 8 GLY N N 5.228 -5.699 7.201 1.00 . A A . 8 GLY N 1 1 10 3030 1 1 8 GLY O O 1.829 -6.563 7.939 1.00 . A A . 8 GLY O 1 1 10 3031 1 1 9 GLY C C 1.009 -4.653 5.222 1.00 . A A . 9 GLY C 1 1 10 3032 1 1 9 GLY CA C 1.600 -6.049 5.248 1.00 . A A . 9 GLY CA 1 1 10 3033 1 1 9 GLY H H 3.698 -5.961 5.521 1.00 . A A . 9 GLY H 1 1 10 3034 1 1 9 GLY HA2 H 1.778 -6.373 4.234 1.00 . A A . 9 GLY HA2 1 1 10 3035 1 1 9 GLY HA3 H 0.890 -6.719 5.710 1.00 . A A . 9 GLY HA3 1 1 10 3036 1 1 9 GLY N N 2.849 -6.109 5.986 1.00 . A A . 9 GLY N 1 1 10 3037 1 1 9 GLY O O 0.946 -3.977 6.249 1.00 . A A . 9 GLY O 1 1 10 3038 1 1 10 CYS C C -1.345 -2.797 4.623 1.00 . A A . 10 CYS C 1 1 10 3039 1 1 10 CYS CA C -0.012 -2.894 3.886 1.00 . A A . 10 CYS CA 1 1 10 3040 1 1 10 CYS CB C -0.212 -2.575 2.403 1.00 . A A . 10 CYS CB 1 1 10 3041 1 1 10 CYS H H 0.652 -4.803 3.260 1.00 . A A . 10 CYS H 1 1 10 3042 1 1 10 CYS HA H 0.673 -2.174 4.309 1.00 . A A . 10 CYS HA 1 1 10 3043 1 1 10 CYS HB3 H -1.084 -1.946 2.292 1.00 . A A . 10 CYS HB3 1 1 10 3044 1 1 10 CYS N N 0.575 -4.218 4.044 1.00 . A A . 10 CYS N 1 1 10 3045 1 1 10 CYS O O -1.836 -3.785 5.168 1.00 . A A . 10 CYS O 1 1 10 3046 1 1 10 CYS SG S 1.194 -1.714 1.630 1.00 . A A . 10 CYS SG 1 1 10 3047 1 1 11 TRP C C -4.235 -2.398 4.858 1.00 . A A . 11 TRP C 1 1 10 3048 1 1 11 TRP CA C -3.197 -1.376 5.306 1.00 . A A . 11 TRP CA 1 1 10 3049 1 1 11 TRP CB C -3.703 0.040 5.023 1.00 . A A . 11 TRP CB 1 1 10 3050 1 1 11 TRP CD1 C -2.960 0.930 7.309 1.00 . A A . 11 TRP CD1 1 1 10 3051 1 1 11 TRP CD2 C -4.885 1.799 6.563 1.00 . A A . 11 TRP CD2 1 1 10 3052 1 1 11 TRP CE2 C -4.592 2.367 7.818 1.00 . A A . 11 TRP CE2 1 1 10 3053 1 1 11 TRP CE3 C -6.049 2.197 5.899 1.00 . A A . 11 TRP CE3 1 1 10 3054 1 1 11 TRP CG C -3.829 0.883 6.256 1.00 . A A . 11 TRP CG 1 1 10 3055 1 1 11 TRP CH2 C -6.554 3.680 7.749 1.00 . A A . 11 TRP CH2 1 1 10 3056 1 1 11 TRP CZ2 C -5.422 3.308 8.421 1.00 . A A . 11 TRP CZ2 1 1 10 3057 1 1 11 TRP CZ3 C -6.871 3.131 6.499 1.00 . A A . 11 TRP CZ3 1 1 10 3058 1 1 11 TRP H H -1.480 -0.851 4.184 1.00 . A A . 11 TRP H 1 1 10 3059 1 1 11 TRP HA H -3.036 -1.485 6.368 1.00 . A A . 11 TRP HA 1 1 10 3060 1 1 11 TRP HB3 H -4.676 -0.020 4.558 1.00 . A A . 11 TRP HB3 1 1 10 3061 1 1 11 TRP HD1 H -2.056 0.345 7.377 1.00 . A A . 11 TRP HD1 1 1 10 3062 1 1 11 TRP HE1 H -2.965 2.029 9.099 1.00 . A A . 11 TRP HE1 1 1 10 3063 1 1 11 TRP HE3 H -6.310 1.786 4.935 1.00 . A A . 11 TRP HE3 1 1 10 3064 1 1 11 TRP HH2 H -7.226 4.406 8.179 1.00 . A A . 11 TRP HH2 1 1 10 3065 1 1 11 TRP HZ2 H -5.191 3.741 9.385 1.00 . A A . 11 TRP HZ2 1 1 10 3066 1 1 11 TRP HZ3 H -7.776 3.450 6.000 1.00 . A A . 11 TRP HZ3 1 1 10 3067 1 1 11 TRP N N -1.921 -1.601 4.636 1.00 . A A . 11 TRP N 1 1 10 3068 1 1 11 TRP NE1 N -3.414 1.819 8.253 1.00 . A A . 11 TRP NE1 1 1 10 3069 1 1 11 TRP O O -4.050 -3.141 3.878 1.00 . A A . 11 TRP O 1 1 10 3070 1 1 12 HYP C C -7.184 -3.065 4.000 1.00 . A A . 12 HYP C 1 1 10 3071 1 1 12 HYP CA C -6.458 -3.390 5.296 1.00 . A A . 12 HYP CA 1 1 10 3072 1 1 12 HYP CB C -7.399 -3.228 6.501 1.00 . A A . 12 HYP CB 1 1 10 3073 1 1 12 HYP CD C -5.676 -1.625 6.748 1.00 . A A . 12 HYP CD 1 1 10 3074 1 1 12 HYP CG C -6.577 -2.530 7.522 1.00 . A A . 12 HYP CG 1 1 10 3075 1 1 12 HYP HA H -6.097 -4.408 5.255 1.00 . A A . 12 HYP HA 1 1 10 3076 1 1 12 HYP HB2 H -7.715 -4.200 6.849 1.00 . A A . 12 HYP HB2 1 1 10 3077 1 1 12 HYP HB3 H -8.260 -2.639 6.219 1.00 . A A . 12 HYP HB3 1 1 10 3078 1 1 12 HYP HD1 H -5.700 -4.382 7.660 1.00 . A A . 12 HYP HD1 1 1 10 3079 1 1 12 HYP HD22 H -6.480 -0.776 6.611 1.00 . A A . 12 HYP HD22 1 1 10 3080 1 1 12 HYP HD23 H -5.026 -1.361 7.454 1.00 . A A . 12 HYP HD23 1 1 10 3081 1 1 12 HYP HG H -7.387 -2.219 8.268 1.00 . A A . 12 HYP HG 1 1 10 3082 1 1 12 HYP N N -5.365 -2.453 5.582 1.00 . A A . 12 HYP N 1 1 10 3083 1 1 12 HYP O O -7.792 -2.006 3.852 1.00 . A A . 12 HYP O 1 1 10 3084 1 1 12 HYP OD1 O -5.837 -3.611 8.230 1.00 . A A . 12 HYP OD1 1 1 10 3085 1 1 13 GLY C C -6.839 -3.176 0.744 1.00 . A A . 13 GLY C 1 1 10 3086 1 1 13 GLY CA C -7.760 -3.803 1.771 1.00 . A A . 13 GLY CA 1 1 10 3087 1 1 13 GLY H H -6.612 -4.822 3.230 1.00 . A A . 13 GLY H 1 1 10 3088 1 1 13 GLY HA2 H -8.096 -4.760 1.402 1.00 . A A . 13 GLY HA2 1 1 10 3089 1 1 13 GLY HA3 H -8.618 -3.160 1.908 1.00 . A A . 13 GLY HA3 1 1 10 3090 1 1 13 GLY N N -7.111 -3.997 3.055 1.00 . A A . 13 GLY N 1 1 10 3091 1 1 13 GLY O O -7.291 -2.701 -0.298 1.00 . A A . 13 GLY O 1 1 10 3092 1 1 14 CYS C C -3.445 -3.598 -0.168 1.00 . A A . 14 CYS C 1 1 10 3093 1 1 14 CYS CA C -4.555 -2.595 0.135 1.00 . A A . 14 CYS CA 1 1 10 3094 1 1 14 CYS CB C -3.957 -1.324 0.742 1.00 . A A . 14 CYS CB 1 1 10 3095 1 1 14 CYS H H -5.244 -3.564 1.886 1.00 . A A . 14 CYS H 1 1 10 3096 1 1 14 CYS HA H -5.056 -2.342 -0.787 1.00 . A A . 14 CYS HA 1 1 10 3097 1 1 14 CYS HB3 H -3.005 -1.123 0.273 1.00 . A A . 14 CYS HB3 1 1 10 3098 1 1 14 CYS N N -5.543 -3.171 1.039 1.00 . A A . 14 CYS N 1 1 10 3099 1 1 14 CYS O O -3.496 -4.747 0.270 1.00 . A A . 14 CYS O 1 1 10 3100 1 1 14 CYS SG S -4.998 0.157 0.538 1.00 . A A . 14 CYS SG 1 1 10 3101 1 1 15 SER C C -0.009 -3.234 -1.254 1.00 . A A . 15 SER C 1 1 10 3102 1 1 15 SER CA C -1.321 -4.012 -1.284 1.00 . A A . 15 SER CA 1 1 10 3103 1 1 15 SER CB C -1.541 -4.611 -2.674 1.00 . A A . 15 SER CB 1 1 10 3104 1 1 15 SER H H -2.459 -2.226 -1.239 1.00 . A A . 15 SER H 1 1 10 3105 1 1 15 SER HA H -1.268 -4.812 -0.561 1.00 . A A . 15 SER HA 1 1 10 3106 1 1 15 SER HB3 H -1.052 -5.572 -2.731 1.00 . A A . 15 SER HB3 1 1 10 3107 1 1 15 SER HG H -3.220 -4.096 -3.543 1.00 . A A . 15 SER HG 1 1 10 3108 1 1 15 SER N N -2.443 -3.153 -0.920 1.00 . A A . 15 SER N 1 1 10 3109 1 1 15 SER O O -0.004 -2.004 -1.212 1.00 . A A . 15 SER O 1 1 10 3110 1 1 15 SER OG O -2.922 -4.784 -2.943 1.00 . A A . 15 SER OG 1 1 10 3111 1 1 16 CYS C C 3.003 -3.242 -2.658 1.00 . A A . 16 CYS C 1 1 10 3112 1 1 16 CYS CA C 2.422 -3.342 -1.250 1.00 . A A . 16 CYS CA 1 1 10 3113 1 1 16 CYS CB C 3.368 -4.144 -0.353 1.00 . A A . 16 CYS CB 1 1 10 3114 1 1 16 CYS H H 1.034 -4.939 -1.309 1.00 . A A . 16 CYS H 1 1 10 3115 1 1 16 CYS HA H 2.314 -2.347 -0.846 1.00 . A A . 16 CYS HA 1 1 10 3116 1 1 16 CYS HB3 H 3.430 -5.157 -0.723 1.00 . A A . 16 CYS HB3 1 1 10 3117 1 1 16 CYS N N 1.102 -3.962 -1.275 1.00 . A A . 16 CYS N 1 1 10 3118 1 1 16 CYS O O 2.823 -4.140 -3.480 1.00 . A A . 16 CYS O 1 1 10 3119 1 1 16 CYS SG S 5.060 -3.477 -0.273 1.00 . A A . 16 CYS SG 1 1 10 3120 1 1 17 TYR C C 5.415 -0.880 -4.154 1.00 . A A . 17 TYR C 1 1 10 3121 1 1 17 TYR CA C 4.304 -1.923 -4.235 1.00 . A A . 17 TYR CA 1 1 10 3122 1 1 17 TYR CB C 3.243 -1.477 -5.244 1.00 . A A . 17 TYR CB 1 1 10 3123 1 1 17 TYR CD1 C 4.295 -2.356 -7.364 1.00 . A A . 17 TYR CD1 1 1 10 3124 1 1 17 TYR CD2 C 3.775 -0.033 -7.246 1.00 . A A . 17 TYR CD2 1 1 10 3125 1 1 17 TYR CE1 C 4.788 -2.185 -8.644 1.00 . A A . 17 TYR CE1 1 1 10 3126 1 1 17 TYR CE2 C 4.265 0.147 -8.524 1.00 . A A . 17 TYR CE2 1 1 10 3127 1 1 17 TYR CG C 3.781 -1.286 -6.644 1.00 . A A . 17 TYR CG 1 1 10 3128 1 1 17 TYR CZ C 4.770 -0.932 -9.219 1.00 . A A . 17 TYR CZ 1 1 10 3129 1 1 17 TYR H H 3.807 -1.463 -2.231 1.00 . A A . 17 TYR H 1 1 10 3130 1 1 17 TYR HA H 4.729 -2.860 -4.566 1.00 . A A . 17 TYR HA 1 1 10 3131 1 1 17 TYR HB3 H 2.820 -0.539 -4.919 1.00 . A A . 17 TYR HB3 1 1 10 3132 1 1 17 TYR HD1 H 4.307 -3.336 -6.911 1.00 . A A . 17 TYR HD1 1 1 10 3133 1 1 17 TYR HD2 H 3.379 0.810 -6.698 1.00 . A A . 17 TYR HD2 1 1 10 3134 1 1 17 TYR HE1 H 5.183 -3.030 -9.188 1.00 . A A . 17 TYR HE1 1 1 10 3135 1 1 17 TYR HE2 H 4.252 1.128 -8.976 1.00 . A A . 17 TYR HE2 1 1 10 3136 1 1 17 TYR HH H 5.318 0.182 -10.687 1.00 . A A . 17 TYR HH 1 1 10 3137 1 1 17 TYR N N 3.698 -2.143 -2.928 1.00 . A A . 17 TYR N 1 1 10 3138 1 1 17 TYR O O 5.203 0.231 -3.668 1.00 . A A . 17 TYR O 1 1 10 3139 1 1 17 TYR OH O 5.259 -0.757 -10.493 1.00 . A A . 17 TYR OH 1 1 10 3140 1 1 18 ALA C C 7.975 0.224 -3.223 1.00 . A A . 18 ALA C 1 1 10 3141 1 1 18 ALA CA C 7.741 -0.343 -4.619 1.00 . A A . 18 ALA CA 1 1 10 3142 1 1 18 ALA CB C 7.538 0.784 -5.621 1.00 . A A . 18 ALA CB 1 1 10 3143 1 1 18 ALA H H 6.704 -2.145 -5.009 1.00 . A A . 18 ALA H 1 1 10 3144 1 1 18 ALA HA H 8.615 -0.904 -4.919 1.00 . A A . 18 ALA HA 1 1 10 3145 1 1 18 ALA HB1 H 6.668 1.361 -5.340 1.00 . A A . 18 ALA HB1 1 1 10 3146 1 1 18 ALA HB2 H 8.408 1.422 -5.626 1.00 . A A . 18 ALA HB2 1 1 10 3147 1 1 18 ALA HB3 H 7.390 0.367 -6.606 1.00 . A A . 18 ALA HB3 1 1 10 3148 1 1 18 ALA N N 6.598 -1.246 -4.635 1.00 . A A . 18 ALA N 1 1 10 3149 1 1 18 ALA O O 8.100 1.436 -3.048 1.00 . A A . 18 ALA O 1 1 10 3150 1 1 19 ARG C C 7.156 0.719 -0.396 1.00 . A A . 19 ARG C 1 1 10 3151 1 1 19 ARG CA C 8.246 -0.247 -0.850 1.00 . A A . 19 ARG CA 1 1 10 3152 1 1 19 ARG CB C 9.619 0.409 -0.701 1.00 . A A . 19 ARG CB 1 1 10 3153 1 1 19 ARG CD C 11.984 -0.235 -1.259 1.00 . A A . 19 ARG CD 1 1 10 3154 1 1 19 ARG CG C 10.744 -0.581 -0.450 1.00 . A A . 19 ARG CG 1 1 10 3155 1 1 19 ARG CZ C 14.368 -0.833 -1.326 1.00 . A A . 19 ARG CZ 1 1 10 3156 1 1 19 ARG H H 7.923 -1.613 -2.435 1.00 . A A . 19 ARG H 1 1 10 3157 1 1 19 ARG HA H 8.210 -1.131 -0.230 1.00 . A A . 19 ARG HA 1 1 10 3158 1 1 19 ARG HB3 H 9.586 1.102 0.127 1.00 . A A . 19 ARG HB3 1 1 10 3159 1 1 19 ARG HD3 H 12.122 0.837 -1.241 1.00 . A A . 19 ARG HD3 1 1 10 3160 1 1 19 ARG HE H 13.100 -1.361 0.121 1.00 . A A . 19 ARG HE 1 1 10 3161 1 1 19 ARG HG3 H 10.409 -1.570 -0.726 1.00 . A A . 19 ARG HG3 1 1 10 3162 1 1 19 ARG HH11 H 13.726 0.276 -2.888 1.00 . A A . 19 ARG HH11 1 1 10 3163 1 1 19 ARG HH12 H 15.404 -0.152 -2.922 1.00 . A A . 19 ARG HH12 1 1 10 3164 1 1 19 ARG HH21 H 15.308 -1.931 0.086 1.00 . A A . 19 ARG HH21 1 1 10 3165 1 1 19 ARG HH22 H 16.303 -1.408 -1.231 1.00 . A A . 19 ARG HH22 1 1 10 3166 1 1 19 ARG N N 8.030 -0.660 -2.233 1.00 . A A . 19 ARG N 1 1 10 3167 1 1 19 ARG NE N 13.183 -0.875 -0.726 1.00 . A A . 19 ARG NE 1 1 10 3168 1 1 19 ARG NH1 N 14.511 -0.183 -2.473 1.00 . A A . 19 ARG NH1 1 1 10 3169 1 1 19 ARG NH2 N 15.413 -1.441 -0.778 1.00 . A A . 19 ARG NH2 1 1 10 3170 1 1 19 ARG O O 7.340 1.474 0.561 1.00 . A A . 19 ARG O 1 1 10 3171 1 1 20 THR C C 3.587 0.795 -0.750 1.00 . A A . 20 THR C 1 1 10 3172 1 1 20 THR CA C 4.903 1.564 -0.755 1.00 . A A . 20 THR CA 1 1 10 3173 1 1 20 THR CB C 4.794 2.739 -1.746 1.00 . A A . 20 THR CB 1 1 10 3174 1 1 20 THR CG2 C 4.499 4.039 -1.014 1.00 . A A . 20 THR CG2 1 1 10 3175 1 1 20 THR H H 5.935 0.068 -1.838 1.00 . A A . 20 THR H 1 1 10 3176 1 1 20 THR HA H 5.076 1.968 0.231 1.00 . A A . 20 THR HA 1 1 10 3177 1 1 20 THR HB H 3.985 2.538 -2.432 1.00 . A A . 20 THR HB 1 1 10 3178 1 1 20 THR HG1 H 5.857 2.633 -3.404 1.00 . A A . 20 THR HG1 1 1 10 3179 1 1 20 THR HG21 H 5.343 4.705 -1.109 1.00 . A A . 20 THR HG21 1 1 10 3180 1 1 20 THR HG22 H 4.320 3.831 0.031 1.00 . A A . 20 THR HG22 1 1 10 3181 1 1 20 THR HG23 H 3.624 4.503 -1.444 1.00 . A A . 20 THR HG23 1 1 10 3182 1 1 20 THR N N 6.021 0.690 -1.087 1.00 . A A . 20 THR N 1 1 10 3183 1 1 20 THR O O 3.575 -0.435 -0.814 1.00 . A A . 20 THR O 1 1 10 3184 1 1 20 THR OG1 O 6.013 2.869 -2.487 1.00 . A A . 20 THR OG1 1 1 10 3185 1 1 21 CYS C C 0.305 1.435 -1.818 1.00 . A A . 21 CYS C 1 1 10 3186 1 1 21 CYS CA C 1.157 0.913 -0.666 1.00 . A A . 21 CYS CA 1 1 10 3187 1 1 21 CYS CB C 0.457 1.188 0.666 1.00 . A A . 21 CYS CB 1 1 10 3188 1 1 21 CYS H H 2.554 2.503 -0.630 1.00 . A A . 21 CYS H 1 1 10 3189 1 1 21 CYS HA H 1.285 -0.153 -0.782 1.00 . A A . 21 CYS HA 1 1 10 3190 1 1 21 CYS HB3 H -0.592 0.950 0.569 1.00 . A A . 21 CYS HB3 1 1 10 3191 1 1 21 CYS N N 2.480 1.526 -0.677 1.00 . A A . 21 CYS N 1 1 10 3192 1 1 21 CYS O O 0.389 2.608 -2.185 1.00 . A A . 21 CYS O 1 1 10 3193 1 1 21 CYS SG S 1.116 0.226 2.066 1.00 . A A . 21 CYS SG 1 1 10 3194 1 1 22 PHE C C -2.538 -0.059 -3.640 1.00 . A A . 22 PHE C 1 1 10 3195 1 1 22 PHE CA C -1.384 0.929 -3.496 1.00 . A A . 22 PHE CA 1 1 10 3196 1 1 22 PHE CB C -0.583 0.987 -4.799 1.00 . A A . 22 PHE CB 1 1 10 3197 1 1 22 PHE CD1 C -0.582 3.395 -5.507 1.00 . A A . 22 PHE CD1 1 1 10 3198 1 1 22 PHE CD2 C -1.850 1.836 -6.791 1.00 . A A . 22 PHE CD2 1 1 10 3199 1 1 22 PHE CE1 C -0.975 4.416 -6.350 1.00 . A A . 22 PHE CE1 1 1 10 3200 1 1 22 PHE CE2 C -2.246 2.854 -7.640 1.00 . A A . 22 PHE CE2 1 1 10 3201 1 1 22 PHE CG C -1.013 2.095 -5.718 1.00 . A A . 22 PHE CG 1 1 10 3202 1 1 22 PHE CZ C -1.810 4.145 -7.418 1.00 . A A . 22 PHE CZ 1 1 10 3203 1 1 22 PHE H H -0.538 -0.364 -2.048 1.00 . A A . 22 PHE H 1 1 10 3204 1 1 22 PHE HA H -1.788 1.908 -3.287 1.00 . A A . 22 PHE HA 1 1 10 3205 1 1 22 PHE HB3 H -0.699 0.053 -5.326 1.00 . A A . 22 PHE HB3 1 1 10 3206 1 1 22 PHE HD1 H 0.071 3.608 -4.672 1.00 . A A . 22 PHE HD1 1 1 10 3207 1 1 22 PHE HD2 H -2.192 0.827 -6.965 1.00 . A A . 22 PHE HD2 1 1 10 3208 1 1 22 PHE HE1 H -0.633 5.425 -6.174 1.00 . A A . 22 PHE HE1 1 1 10 3209 1 1 22 PHE HE2 H -2.899 2.639 -8.473 1.00 . A A . 22 PHE HE2 1 1 10 3210 1 1 22 PHE HZ H -2.118 4.942 -8.079 1.00 . A A . 22 PHE HZ 1 1 10 3211 1 1 22 PHE N N -0.516 0.557 -2.385 1.00 . A A . 22 PHE N 1 1 10 3212 1 1 22 PHE O O -2.367 -1.262 -3.442 1.00 . A A . 22 PHE O 1 1 10 3213 1 1 23 ARG C C -5.691 0.048 -5.382 1.00 . A A . 23 ARG C 1 1 10 3214 1 1 23 ARG CA C -4.895 -0.378 -4.152 1.00 . A A . 23 ARG CA 1 1 10 3215 1 1 23 ARG CB C -5.781 -0.302 -2.907 1.00 . A A . 23 ARG CB 1 1 10 3216 1 1 23 ARG CD C -7.436 1.152 -1.698 1.00 . A A . 23 ARG CD 1 1 10 3217 1 1 23 ARG CG C -6.149 1.118 -2.507 1.00 . A A . 23 ARG CG 1 1 10 3218 1 1 23 ARG CZ C -9.827 1.507 -2.147 1.00 . A A . 23 ARG CZ 1 1 10 3219 1 1 23 ARG H H -3.786 1.424 -4.128 1.00 . A A . 23 ARG H 1 1 10 3220 1 1 23 ARG HA H -4.566 -1.397 -4.287 1.00 . A A . 23 ARG HA 1 1 10 3221 1 1 23 ARG HB3 H -5.259 -0.762 -2.080 1.00 . A A . 23 ARG HB3 1 1 10 3222 1 1 23 ARG HD3 H -7.281 1.767 -0.824 1.00 . A A . 23 ARG HD3 1 1 10 3223 1 1 23 ARG HE H -8.339 2.225 -3.264 1.00 . A A . 23 ARG HE 1 1 10 3224 1 1 23 ARG HG3 H -6.278 1.711 -3.400 1.00 . A A . 23 ARG HG3 1 1 10 3225 1 1 23 ARG HH11 H -9.425 0.396 -0.508 1.00 . A A . 23 ARG HH11 1 1 10 3226 1 1 23 ARG HH12 H -11.108 0.655 -0.836 1.00 . A A . 23 ARG HH12 1 1 10 3227 1 1 23 ARG HH21 H -10.549 2.573 -3.706 1.00 . A A . 23 ARG HH21 1 1 10 3228 1 1 23 ARG HH22 H -11.745 1.892 -2.655 1.00 . A A . 23 ARG HH22 1 1 10 3229 1 1 23 ARG N N -3.713 0.457 -3.984 1.00 . A A . 23 ARG N 1 1 10 3230 1 1 23 ARG NE N -8.552 1.695 -2.469 1.00 . A A . 23 ARG NE 1 1 10 3231 1 1 23 ARG NH1 N -10.146 0.794 -1.076 1.00 . A A . 23 ARG NH1 1 1 10 3232 1 1 23 ARG NH2 N -10.786 2.034 -2.898 1.00 . A A . 23 ARG NH2 1 1 10 3233 1 1 23 ARG O O -6.919 -0.051 -5.405 1.00 . A A . 23 ARG O 1 1 10 3234 1 1 24 ASP C C -6.489 2.197 -7.389 1.00 . A A . 24 ASP C 1 1 10 3235 1 1 24 ASP CA C -5.627 0.964 -7.636 1.00 . A A . 24 ASP CA 1 1 10 3236 1 1 24 ASP CB C -6.479 -0.161 -8.223 1.00 . A A . 24 ASP CB 1 1 10 3237 1 1 24 ASP CG C -5.876 -0.749 -9.483 1.00 . A A . 24 ASP CG 1 1 10 3238 1 1 24 ASP H H -4.010 0.578 -6.323 1.00 . A A . 24 ASP H 1 1 10 3239 1 1 24 ASP HA H -4.849 1.219 -8.341 1.00 . A A . 24 ASP HA 1 1 10 3240 1 1 24 ASP HB3 H -7.459 0.226 -8.461 1.00 . A A . 24 ASP HB3 1 1 10 3241 1 1 24 ASP N N -4.986 0.523 -6.402 1.00 . A A . 24 ASP N 1 1 10 3242 1 1 24 ASP O O -7.119 2.327 -6.341 1.00 . A A . 24 ASP O 1 1 10 3243 1 1 24 ASP OD1 O -5.595 0.024 -10.424 1.00 . A A . 24 ASP OD1 1 1 10 3244 1 1 24 ASP OD2 O -5.680 -1.981 -9.528 1.00 . A A . 24 ASP OD2 1 1 10 3245 1 1 25 GLY C C -6.539 5.427 -7.534 1.00 . A A . 25 GLY C 1 1 10 3246 1 1 25 GLY CA C -7.297 4.315 -8.232 1.00 . A A . 25 GLY CA 1 1 10 3247 1 1 25 GLY H H -5.988 2.947 -9.178 1.00 . A A . 25 GLY H 1 1 10 3248 1 1 25 GLY HA2 H -7.586 4.653 -9.216 1.00 . A A . 25 GLY HA2 1 1 10 3249 1 1 25 GLY HA3 H -8.188 4.092 -7.664 1.00 . A A . 25 GLY HA3 1 1 10 3250 1 1 25 GLY N N -6.510 3.103 -8.363 1.00 . A A . 25 GLY N 1 1 10 3251 1 1 25 GLY O O -6.487 6.556 -8.024 1.00 . A A . 25 GLY O 1 1 10 3252 1 1 26 LEU C C -4.238 5.402 -4.646 1.00 . A A . 26 LEU C 1 1 10 3253 1 1 26 LEU CA C -5.189 6.089 -5.620 1.00 . A A . 26 LEU CA 1 1 10 3254 1 1 26 LEU CB C -6.139 7.015 -4.857 1.00 . A A . 26 LEU CB 1 1 10 3255 1 1 26 LEU CD1 C -7.870 7.046 -3.045 1.00 . A A . 26 LEU CD1 1 1 10 3256 1 1 26 LEU CD2 C -8.523 6.444 -5.383 1.00 . A A . 26 LEU CD2 1 1 10 3257 1 1 26 LEU CG C -7.423 6.373 -4.333 1.00 . A A . 26 LEU CG 1 1 10 3258 1 1 26 LEU H H -6.024 4.193 -6.049 1.00 . A A . 26 LEU H 1 1 10 3259 1 1 26 LEU HA H -4.609 6.678 -6.316 1.00 . A A . 26 LEU HA 1 1 10 3260 1 1 26 LEU HB3 H -6.417 7.822 -5.519 1.00 . A A . 26 LEU HB3 1 1 10 3261 1 1 26 LEU HD11 H -8.138 6.294 -2.319 1.00 . A A . 26 LEU HD11 1 1 10 3262 1 1 26 LEU HD12 H -8.725 7.676 -3.245 1.00 . A A . 26 LEU HD12 1 1 10 3263 1 1 26 LEU HD13 H -7.063 7.651 -2.656 1.00 . A A . 26 LEU HD13 1 1 10 3264 1 1 26 LEU HD21 H -8.323 7.264 -6.057 1.00 . A A . 26 LEU HD21 1 1 10 3265 1 1 26 LEU HD22 H -9.475 6.601 -4.897 1.00 . A A . 26 LEU HD22 1 1 10 3266 1 1 26 LEU HD23 H -8.550 5.518 -5.939 1.00 . A A . 26 LEU HD23 1 1 10 3267 1 1 26 LEU HG H -7.235 5.330 -4.115 1.00 . A A . 26 LEU HG 1 1 10 3268 1 1 26 LEU N N -5.948 5.109 -6.388 1.00 . A A . 26 LEU N 1 1 10 3269 1 1 26 LEU O O -4.416 4.238 -4.284 1.00 . A A . 26 LEU O 1 1 10 3270 1 1 27 PRO C C -2.780 5.413 -1.870 1.00 . A A . 27 PRO C 1 1 10 3271 1 1 27 PRO CA C -2.207 5.618 -3.269 1.00 . A A . 27 PRO CA 1 1 10 3272 1 1 27 PRO CB C -1.134 6.709 -3.252 1.00 . A A . 27 PRO CB 1 1 10 3273 1 1 27 PRO CD C -2.931 7.530 -4.599 1.00 . A A . 27 PRO CD 1 1 10 3274 1 1 27 PRO CG C -1.855 7.955 -3.638 1.00 . A A . 27 PRO CG 1 1 10 3275 1 1 27 PRO HA H -1.775 4.691 -3.618 1.00 . A A . 27 PRO HA 1 1 10 3276 1 1 27 PRO HB3 H -0.358 6.467 -3.962 1.00 . A A . 27 PRO HB3 1 1 10 3277 1 1 27 PRO HD3 H -2.570 7.580 -5.616 1.00 . A A . 27 PRO HD3 1 1 10 3278 1 1 27 PRO HG3 H -1.171 8.639 -4.121 1.00 . A A . 27 PRO HG3 1 1 10 3279 1 1 27 PRO N N -3.205 6.136 -4.209 1.00 . A A . 27 PRO N 1 1 10 3280 1 1 27 PRO O O -2.271 4.605 -1.093 1.00 . A A . 27 PRO O 1 1 11 3281 1 1 1 SER C C -3.663 5.420 1.620 1.00 . A A . 1 SER C 1 1 11 3282 1 1 1 SER CA C -3.641 6.689 0.773 1.00 . A A . 1 SER CA 1 1 11 3283 1 1 1 SER CB C -4.953 7.456 0.948 1.00 . A A . 1 SER CB 1 1 11 3284 1 1 1 SER H1 H -3.737 5.510 -0.983 1.00 . A A . 1 SER H1 1 1 11 3285 1 1 1 SER HA H -2.823 7.313 1.101 1.00 . A A . 1 SER HA 1 1 11 3286 1 1 1 SER HB3 H -5.145 8.042 0.060 1.00 . A A . 1 SER HB3 1 1 11 3287 1 1 1 SER HG H -6.563 6.513 0.350 1.00 . A A . 1 SER HG 1 1 11 3288 1 1 1 SER N N -3.424 6.371 -0.634 1.00 . A A . 1 SER N 1 1 11 3289 1 1 1 SER O O -4.259 5.390 2.697 1.00 . A A . 1 SER O 1 1 11 3290 1 1 1 SER OG O -6.039 6.569 1.153 1.00 . A A . 1 SER OG 1 1 11 3291 1 1 2 CYS C C -1.794 3.082 2.825 1.00 . A A . 2 CYS C 1 1 11 3292 1 1 2 CYS CA C -2.953 3.102 1.834 1.00 . A A . 2 CYS CA 1 1 11 3293 1 1 2 CYS CB C -2.809 1.947 0.841 1.00 . A A . 2 CYS CB 1 1 11 3294 1 1 2 CYS H H -2.554 4.460 0.261 1.00 . A A . 2 CYS H 1 1 11 3295 1 1 2 CYS HA H -3.878 2.984 2.378 1.00 . A A . 2 CYS HA 1 1 11 3296 1 1 2 CYS HB3 H -2.381 1.096 1.350 1.00 . A A . 2 CYS HB3 1 1 11 3297 1 1 2 CYS N N -3.009 4.374 1.125 1.00 . A A . 2 CYS N 1 1 11 3298 1 1 2 CYS O O -0.631 2.990 2.435 1.00 . A A . 2 CYS O 1 1 11 3299 1 1 2 CYS SG S -4.379 1.412 0.089 1.00 . A A . 2 CYS SG 1 1 11 3300 1 1 3 GLY C C -0.449 1.799 5.302 1.00 . A A . 3 GLY C 1 1 11 3301 1 1 3 GLY CA C -1.096 3.161 5.140 1.00 . A A . 3 GLY CA 1 1 11 3302 1 1 3 GLY H H -3.065 3.242 4.365 1.00 . A A . 3 GLY H 1 1 11 3303 1 1 3 GLY HA2 H -0.335 3.881 4.881 1.00 . A A . 3 GLY HA2 1 1 11 3304 1 1 3 GLY HA3 H -1.543 3.447 6.081 1.00 . A A . 3 GLY HA3 1 1 11 3305 1 1 3 GLY N N -2.121 3.169 4.112 1.00 . A A . 3 GLY N 1 1 11 3306 1 1 3 GLY O O -0.208 1.099 4.319 1.00 . A A . 3 GLY O 1 1 11 3307 1 1 4 GLY C C 1.865 0.053 6.252 1.00 . A A . 4 GLY C 1 1 11 3308 1 1 4 GLY CA C 0.458 0.140 6.808 1.00 . A A . 4 GLY CA 1 1 11 3309 1 1 4 GLY H H -0.379 2.025 7.289 1.00 . A A . 4 GLY H 1 1 11 3310 1 1 4 GLY HA2 H 0.493 -0.018 7.876 1.00 . A A . 4 GLY HA2 1 1 11 3311 1 1 4 GLY HA3 H -0.143 -0.637 6.359 1.00 . A A . 4 GLY HA3 1 1 11 3312 1 1 4 GLY N N -0.164 1.424 6.544 1.00 . A A . 4 GLY N 1 1 11 3313 1 1 4 GLY O O 2.183 0.690 5.247 1.00 . A A . 4 GLY O 1 1 11 3314 1 1 5 SER C C 4.253 -2.161 5.629 1.00 . A A . 5 SER C 1 1 11 3315 1 1 5 SER CA C 4.094 -0.901 6.472 1.00 . A A . 5 SER CA 1 1 11 3316 1 1 5 SER CB C 5.025 -0.964 7.685 1.00 . A A . 5 SER CB 1 1 11 3317 1 1 5 SER H H 2.398 -1.219 7.700 1.00 . A A . 5 SER H 1 1 11 3318 1 1 5 SER HA H 4.356 -0.043 5.872 1.00 . A A . 5 SER HA 1 1 11 3319 1 1 5 SER HB3 H 5.560 -0.029 7.773 1.00 . A A . 5 SER HB3 1 1 11 3320 1 1 5 SER HG H 3.937 -2.078 8.872 1.00 . A A . 5 SER HG 1 1 11 3321 1 1 5 SER N N 2.711 -0.737 6.906 1.00 . A A . 5 SER N 1 1 11 3322 1 1 5 SER O O 3.611 -3.180 5.886 1.00 . A A . 5 SER O 1 1 11 3323 1 1 5 SER OG O 4.294 -1.188 8.879 1.00 . A A . 5 SER OG 1 1 11 3324 1 1 6 CYS C C 6.066 -4.347 4.480 1.00 . A A . 6 CYS C 1 1 11 3325 1 1 6 CYS CA C 5.358 -3.218 3.735 1.00 . A A . 6 CYS CA 1 1 11 3326 1 1 6 CYS CB C 6.198 -2.781 2.533 1.00 . A A . 6 CYS CB 1 1 11 3327 1 1 6 CYS H H 5.595 -1.245 4.463 1.00 . A A . 6 CYS H 1 1 11 3328 1 1 6 CYS HA H 4.403 -3.578 3.384 1.00 . A A . 6 CYS HA 1 1 11 3329 1 1 6 CYS HB3 H 6.805 -3.612 2.206 1.00 . A A . 6 CYS HB3 1 1 11 3330 1 1 6 CYS N N 5.113 -2.085 4.619 1.00 . A A . 6 CYS N 1 1 11 3331 1 1 6 CYS O O 5.982 -5.511 4.088 1.00 . A A . 6 CYS O 1 1 11 3332 1 1 6 CYS SG S 5.215 -2.218 1.105 1.00 . A A . 6 CYS SG 1 1 11 3333 1 1 7 PHE C C 6.537 -5.702 7.308 1.00 . A A . 7 PHE C 1 1 11 3334 1 1 7 PHE CA C 7.483 -4.975 6.356 1.00 . A A . 7 PHE CA 1 1 11 3335 1 1 7 PHE CB C 8.600 -4.295 7.149 1.00 . A A . 7 PHE CB 1 1 11 3336 1 1 7 PHE CD1 C 10.555 -5.836 6.841 1.00 . A A . 7 PHE CD1 1 1 11 3337 1 1 7 PHE CD2 C 9.655 -5.574 9.033 1.00 . A A . 7 PHE CD2 1 1 11 3338 1 1 7 PHE CE1 C 11.499 -6.720 7.331 1.00 . A A . 7 PHE CE1 1 1 11 3339 1 1 7 PHE CE2 C 10.597 -6.456 9.530 1.00 . A A . 7 PHE CE2 1 1 11 3340 1 1 7 PHE CG C 9.624 -5.254 7.685 1.00 . A A . 7 PHE CG 1 1 11 3341 1 1 7 PHE CZ C 11.519 -7.029 8.677 1.00 . A A . 7 PHE CZ 1 1 11 3342 1 1 7 PHE H H 6.788 -3.048 5.817 1.00 . A A . 7 PHE H 1 1 11 3343 1 1 7 PHE HA H 7.918 -5.695 5.681 1.00 . A A . 7 PHE HA 1 1 11 3344 1 1 7 PHE HB3 H 8.168 -3.768 7.987 1.00 . A A . 7 PHE HB3 1 1 11 3345 1 1 7 PHE HD1 H 10.541 -5.595 5.789 1.00 . A A . 7 PHE HD1 1 1 11 3346 1 1 7 PHE HD2 H 8.933 -5.125 9.701 1.00 . A A . 7 PHE HD2 1 1 11 3347 1 1 7 PHE HE1 H 12.220 -7.167 6.663 1.00 . A A . 7 PHE HE1 1 1 11 3348 1 1 7 PHE HE2 H 10.610 -6.695 10.583 1.00 . A A . 7 PHE HE2 1 1 11 3349 1 1 7 PHE HZ H 12.255 -7.720 9.063 1.00 . A A . 7 PHE HZ 1 1 11 3350 1 1 7 PHE N N 6.760 -3.993 5.556 1.00 . A A . 7 PHE N 1 1 11 3351 1 1 7 PHE O O 6.866 -6.763 7.837 1.00 . A A . 7 PHE O 1 1 11 3352 1 1 8 GLY C C 2.997 -5.773 7.803 1.00 . A A . 8 GLY C 1 1 11 3353 1 1 8 GLY CA C 4.386 -5.727 8.411 1.00 . A A . 8 GLY CA 1 1 11 3354 1 1 8 GLY H H 5.153 -4.275 7.074 1.00 . A A . 8 GLY H 1 1 11 3355 1 1 8 GLY HA2 H 4.700 -6.733 8.641 1.00 . A A . 8 GLY HA2 1 1 11 3356 1 1 8 GLY HA3 H 4.346 -5.154 9.326 1.00 . A A . 8 GLY HA3 1 1 11 3357 1 1 8 GLY N N 5.360 -5.120 7.523 1.00 . A A . 8 GLY N 1 1 11 3358 1 1 8 GLY O O 1.999 -5.805 8.521 1.00 . A A . 8 GLY O 1 1 11 3359 1 1 9 GLY C C 1.098 -4.432 5.520 1.00 . A A . 9 GLY C 1 1 11 3360 1 1 9 GLY CA C 1.654 -5.816 5.793 1.00 . A A . 9 GLY CA 1 1 11 3361 1 1 9 GLY H H 3.764 -5.748 5.954 1.00 . A A . 9 GLY H 1 1 11 3362 1 1 9 GLY HA2 H 1.774 -6.336 4.855 1.00 . A A . 9 GLY HA2 1 1 11 3363 1 1 9 GLY HA3 H 0.949 -6.359 6.407 1.00 . A A . 9 GLY HA3 1 1 11 3364 1 1 9 GLY N N 2.935 -5.776 6.475 1.00 . A A . 9 GLY N 1 1 11 3365 1 1 9 GLY O O 1.103 -3.569 6.397 1.00 . A A . 9 GLY O 1 1 11 3366 1 1 10 CYS C C -1.341 -2.749 4.492 1.00 . A A . 10 CYS C 1 1 11 3367 1 1 10 CYS CA C 0.058 -2.932 3.910 1.00 . A A . 10 CYS CA 1 1 11 3368 1 1 10 CYS CB C 0.008 -2.812 2.386 1.00 . A A . 10 CYS CB 1 1 11 3369 1 1 10 CYS H H 0.642 -4.949 3.643 1.00 . A A . 10 CYS H 1 1 11 3370 1 1 10 CYS HA H 0.701 -2.158 4.302 1.00 . A A . 10 CYS HA 1 1 11 3371 1 1 10 CYS HB3 H -0.836 -2.199 2.108 1.00 . A A . 10 CYS HB3 1 1 11 3372 1 1 10 CYS N N 0.618 -4.221 4.299 1.00 . A A . 10 CYS N 1 1 11 3373 1 1 10 CYS O O -1.871 -3.641 5.155 1.00 . A A . 10 CYS O 1 1 11 3374 1 1 10 CYS SG S 1.501 -2.073 1.649 1.00 . A A . 10 CYS SG 1 1 11 3375 1 1 11 TRP C C -4.256 -2.386 4.348 1.00 . A A . 11 TRP C 1 1 11 3376 1 1 11 TRP CA C -3.272 -1.288 4.736 1.00 . A A . 11 TRP CA 1 1 11 3377 1 1 11 TRP CB C -3.751 0.059 4.193 1.00 . A A . 11 TRP CB 1 1 11 3378 1 1 11 TRP CD1 C -3.346 1.247 6.428 1.00 . A A . 11 TRP CD1 1 1 11 3379 1 1 11 TRP CD2 C -5.107 2.020 5.280 1.00 . A A . 11 TRP CD2 1 1 11 3380 1 1 11 TRP CE2 C -4.995 2.751 6.478 1.00 . A A . 11 TRP CE2 1 1 11 3381 1 1 11 TRP CE3 C -6.141 2.331 4.394 1.00 . A A . 11 TRP CE3 1 1 11 3382 1 1 11 TRP CG C -4.042 1.063 5.267 1.00 . A A . 11 TRP CG 1 1 11 3383 1 1 11 TRP CH2 C -6.885 4.057 5.926 1.00 . A A . 11 TRP CH2 1 1 11 3384 1 1 11 TRP CZ2 C -5.881 3.772 6.812 1.00 . A A . 11 TRP CZ2 1 1 11 3385 1 1 11 TRP CZ3 C -7.019 3.346 4.727 1.00 . A A . 11 TRP CZ3 1 1 11 3386 1 1 11 TRP H H -1.461 -0.916 3.704 1.00 . A A . 11 TRP H 1 1 11 3387 1 1 11 TRP HA H -3.218 -1.233 5.814 1.00 . A A . 11 TRP HA 1 1 11 3388 1 1 11 TRP HB3 H -4.655 -0.093 3.623 1.00 . A A . 11 TRP HB3 1 1 11 3389 1 1 11 TRP HD1 H -2.479 0.671 6.715 1.00 . A A . 11 TRP HD1 1 1 11 3390 1 1 11 TRP HE1 H -3.596 2.579 8.032 1.00 . A A . 11 TRP HE1 1 1 11 3391 1 1 11 TRP HE3 H -6.262 1.795 3.464 1.00 . A A . 11 TRP HE3 1 1 11 3392 1 1 11 TRP HH2 H -7.594 4.839 6.146 1.00 . A A . 11 TRP HH2 1 1 11 3393 1 1 11 TRP HZ2 H -5.790 4.329 7.733 1.00 . A A . 11 TRP HZ2 1 1 11 3394 1 1 11 TRP HZ3 H -7.826 3.600 4.055 1.00 . A A . 11 TRP HZ3 1 1 11 3395 1 1 11 TRP N N -1.934 -1.588 4.238 1.00 . A A . 11 TRP N 1 1 11 3396 1 1 11 TRP NE1 N -3.914 2.260 7.161 1.00 . A A . 11 TRP NE1 1 1 11 3397 1 1 11 TRP O O -3.982 -3.244 3.489 1.00 . A A . 11 TRP O 1 1 11 3398 1 1 12 HYP C C -7.116 -3.232 3.362 1.00 . A A . 12 HYP C 1 1 11 3399 1 1 12 HYP CA C -6.490 -3.369 4.739 1.00 . A A . 12 HYP CA 1 1 11 3400 1 1 12 HYP CB C -7.526 -3.076 5.838 1.00 . A A . 12 HYP CB 1 1 11 3401 1 1 12 HYP CD C -5.852 -1.413 6.004 1.00 . A A . 12 HYP CD 1 1 11 3402 1 1 12 HYP CG C -6.797 -2.233 6.818 1.00 . A A . 12 HYP CG 1 1 11 3403 1 1 12 HYP HA H -6.112 -4.373 4.860 1.00 . A A . 12 HYP HA 1 1 11 3404 1 1 12 HYP HB2 H -7.854 -4.004 6.285 1.00 . A A . 12 HYP HB2 1 1 11 3405 1 1 12 HYP HB3 H -8.371 -2.551 5.417 1.00 . A A . 12 HYP HB3 1 1 11 3406 1 1 12 HYP HD1 H -5.904 -4.034 7.262 1.00 . A A . 12 HYP HD1 1 1 11 3407 1 1 12 HYP HD22 H -6.679 -0.614 5.707 1.00 . A A . 12 HYP HD22 1 1 11 3408 1 1 12 HYP HD23 H -5.285 -1.040 6.728 1.00 . A A . 12 HYP HD23 1 1 11 3409 1 1 12 HYP HG H -7.684 -1.869 7.459 1.00 . A A . 12 HYP HG 1 1 11 3410 1 1 12 HYP N N -5.438 -2.376 4.984 1.00 . A A . 12 HYP N 1 1 11 3411 1 1 12 HYP O O -7.734 -2.220 3.034 1.00 . A A . 12 HYP O 1 1 11 3412 1 1 12 HYP OD1 O -6.104 -3.203 7.718 1.00 . A A . 12 HYP OD1 1 1 11 3413 1 1 13 GLY C C -6.509 -3.730 0.183 1.00 . A A . 13 GLY C 1 1 11 3414 1 1 13 GLY CA C -7.494 -4.260 1.205 1.00 . A A . 13 GLY CA 1 1 11 3415 1 1 13 GLY H H -6.444 -5.051 2.866 1.00 . A A . 13 GLY H 1 1 11 3416 1 1 13 GLY HA2 H -7.772 -5.268 0.935 1.00 . A A . 13 GLY HA2 1 1 11 3417 1 1 13 GLY HA3 H -8.377 -3.638 1.194 1.00 . A A . 13 GLY HA3 1 1 11 3418 1 1 13 GLY N N -6.946 -4.271 2.550 1.00 . A A . 13 GLY N 1 1 11 3419 1 1 13 GLY O O -6.831 -3.619 -1.001 1.00 . A A . 13 GLY O 1 1 11 3420 1 1 14 CYS C C -3.178 -3.914 -0.479 1.00 . A A . 14 CYS C 1 1 11 3421 1 1 14 CYS CA C -4.271 -2.875 -0.245 1.00 . A A . 14 CYS CA 1 1 11 3422 1 1 14 CYS CB C -3.661 -1.604 0.348 1.00 . A A . 14 CYS CB 1 1 11 3423 1 1 14 CYS H H -5.108 -3.510 1.593 1.00 . A A . 14 CYS H 1 1 11 3424 1 1 14 CYS HA H -4.731 -2.635 -1.191 1.00 . A A . 14 CYS HA 1 1 11 3425 1 1 14 CYS HB3 H -3.012 -1.148 -0.386 1.00 . A A . 14 CYS HB3 1 1 11 3426 1 1 14 CYS N N -5.305 -3.399 0.639 1.00 . A A . 14 CYS N 1 1 11 3427 1 1 14 CYS O O -3.331 -5.083 -0.122 1.00 . A A . 14 CYS O 1 1 11 3428 1 1 14 CYS SG S -4.888 -0.356 0.854 1.00 . A A . 14 CYS SG 1 1 11 3429 1 1 15 SER C C 0.364 -3.612 -1.348 1.00 . A A . 15 SER C 1 1 11 3430 1 1 15 SER CA C -0.958 -4.373 -1.367 1.00 . A A . 15 SER CA 1 1 11 3431 1 1 15 SER CB C -1.153 -5.048 -2.726 1.00 . A A . 15 SER CB 1 1 11 3432 1 1 15 SER H H -2.013 -2.537 -1.342 1.00 . A A . 15 SER H 1 1 11 3433 1 1 15 SER HA H -0.935 -5.131 -0.598 1.00 . A A . 15 SER HA 1 1 11 3434 1 1 15 SER HB3 H -0.583 -5.967 -2.753 1.00 . A A . 15 SER HB3 1 1 11 3435 1 1 15 SER HG H -2.739 -6.179 -2.523 1.00 . A A . 15 SER HG 1 1 11 3436 1 1 15 SER N N -2.075 -3.481 -1.081 1.00 . A A . 15 SER N 1 1 11 3437 1 1 15 SER O O 0.385 -2.382 -1.307 1.00 . A A . 15 SER O 1 1 11 3438 1 1 15 SER OG O -2.518 -5.351 -2.955 1.00 . A A . 15 SER OG 1 1 11 3439 1 1 16 CYS C C 3.410 -3.761 -2.763 1.00 . A A . 16 CYS C 1 1 11 3440 1 1 16 CYS CA C 2.794 -3.751 -1.366 1.00 . A A . 16 CYS CA 1 1 11 3441 1 1 16 CYS CB C 3.706 -4.497 -0.390 1.00 . A A . 16 CYS CB 1 1 11 3442 1 1 16 CYS H H 1.386 -5.330 -1.412 1.00 . A A . 16 CYS H 1 1 11 3443 1 1 16 CYS HA H 2.691 -2.728 -1.039 1.00 . A A . 16 CYS HA 1 1 11 3444 1 1 16 CYS HB3 H 3.851 -5.506 -0.744 1.00 . A A . 16 CYS HB3 1 1 11 3445 1 1 16 CYS N N 1.466 -4.353 -1.379 1.00 . A A . 16 CYS N 1 1 11 3446 1 1 16 CYS O O 3.894 -4.792 -3.231 1.00 . A A . 16 CYS O 1 1 11 3447 1 1 16 CYS SG S 5.349 -3.738 -0.179 1.00 . A A . 16 CYS SG 1 1 11 3448 1 1 17 TYR C C 4.963 -1.351 -4.829 1.00 . A A . 17 TYR C 1 1 11 3449 1 1 17 TYR CA C 3.943 -2.484 -4.764 1.00 . A A . 17 TYR CA 1 1 11 3450 1 1 17 TYR CB C 2.826 -2.238 -5.779 1.00 . A A . 17 TYR CB 1 1 11 3451 1 1 17 TYR CD1 C 3.993 -3.102 -7.844 1.00 . A A . 17 TYR CD1 1 1 11 3452 1 1 17 TYR CD2 C 3.118 -0.886 -7.891 1.00 . A A . 17 TYR CD2 1 1 11 3453 1 1 17 TYR CE1 C 4.448 -2.955 -9.140 1.00 . A A . 17 TYR CE1 1 1 11 3454 1 1 17 TYR CE2 C 3.568 -0.730 -9.188 1.00 . A A . 17 TYR CE2 1 1 11 3455 1 1 17 TYR CG C 3.321 -2.072 -7.197 1.00 . A A . 17 TYR CG 1 1 11 3456 1 1 17 TYR CZ C 4.233 -1.767 -9.807 1.00 . A A . 17 TYR CZ 1 1 11 3457 1 1 17 TYR H H 2.990 -1.821 -2.994 1.00 . A A . 17 TYR H 1 1 11 3458 1 1 17 TYR HA H 4.438 -3.414 -5.006 1.00 . A A . 17 TYR HA 1 1 11 3459 1 1 17 TYR HB3 H 2.292 -1.339 -5.506 1.00 . A A . 17 TYR HB3 1 1 11 3460 1 1 17 TYR HD1 H 4.160 -4.031 -7.318 1.00 . A A . 17 TYR HD1 1 1 11 3461 1 1 17 TYR HD2 H 2.596 -0.076 -7.402 1.00 . A A . 17 TYR HD2 1 1 11 3462 1 1 17 TYR HE1 H 4.969 -3.767 -9.625 1.00 . A A . 17 TYR HE1 1 1 11 3463 1 1 17 TYR HE2 H 3.399 0.200 -9.711 1.00 . A A . 17 TYR HE2 1 1 11 3464 1 1 17 TYR HH H 4.113 -2.104 -11.696 1.00 . A A . 17 TYR HH 1 1 11 3465 1 1 17 TYR N N 3.389 -2.608 -3.421 1.00 . A A . 17 TYR N 1 1 11 3466 1 1 17 TYR O O 4.690 -0.229 -4.405 1.00 . A A . 17 TYR O 1 1 11 3467 1 1 17 TYR OH O 4.685 -1.616 -11.099 1.00 . A A . 17 TYR OH 1 1 11 3468 1 1 18 ALA C C 7.673 -0.189 -4.121 1.00 . A A . 18 ALA C 1 1 11 3469 1 1 18 ALA CA C 7.201 -0.664 -5.492 1.00 . A A . 18 ALA CA 1 1 11 3470 1 1 18 ALA CB C 6.726 0.517 -6.326 1.00 . A A . 18 ALA CB 1 1 11 3471 1 1 18 ALA H H 6.298 -2.567 -5.687 1.00 . A A . 18 ALA H 1 1 11 3472 1 1 18 ALA HA H 8.031 -1.126 -6.007 1.00 . A A . 18 ALA HA 1 1 11 3473 1 1 18 ALA HB1 H 6.261 0.152 -7.231 1.00 . A A . 18 ALA HB1 1 1 11 3474 1 1 18 ALA HB2 H 6.009 1.092 -5.759 1.00 . A A . 18 ALA HB2 1 1 11 3475 1 1 18 ALA HB3 H 7.569 1.140 -6.580 1.00 . A A . 18 ALA HB3 1 1 11 3476 1 1 18 ALA N N 6.141 -1.655 -5.367 1.00 . A A . 18 ALA N 1 1 11 3477 1 1 18 ALA O O 7.807 1.012 -3.882 1.00 . A A . 18 ALA O 1 1 11 3478 1 1 19 ARG C C 7.456 0.209 -1.223 1.00 . A A . 19 ARG C 1 1 11 3479 1 1 19 ARG CA C 8.379 -0.816 -1.878 1.00 . A A . 19 ARG CA 1 1 11 3480 1 1 19 ARG CB C 9.810 -0.279 -1.915 1.00 . A A . 19 ARG CB 1 1 11 3481 1 1 19 ARG CD C 12.186 -0.553 -1.141 1.00 . A A . 19 ARG CD 1 1 11 3482 1 1 19 ARG CG C 10.733 -0.935 -0.901 1.00 . A A . 19 ARG CG 1 1 11 3483 1 1 19 ARG CZ C 13.411 -1.554 0.740 1.00 . A A . 19 ARG CZ 1 1 11 3484 1 1 19 ARG H H 7.798 -2.077 -3.475 1.00 . A A . 19 ARG H 1 1 11 3485 1 1 19 ARG HA H 8.359 -1.724 -1.296 1.00 . A A . 19 ARG HA 1 1 11 3486 1 1 19 ARG HB3 H 9.789 0.782 -1.716 1.00 . A A . 19 ARG HB3 1 1 11 3487 1 1 19 ARG HD3 H 12.365 0.417 -0.702 1.00 . A A . 19 ARG HD3 1 1 11 3488 1 1 19 ARG HE H 13.525 -2.173 -1.153 1.00 . A A . 19 ARG HE 1 1 11 3489 1 1 19 ARG HG3 H 10.634 -2.008 -0.980 1.00 . A A . 19 ARG HG3 1 1 11 3490 1 1 19 ARG HH11 H 12.223 0.004 1.232 1.00 . A A . 19 ARG HH11 1 1 11 3491 1 1 19 ARG HH12 H 13.093 -0.712 2.550 1.00 . A A . 19 ARG HH12 1 1 11 3492 1 1 19 ARG HH21 H 14.676 -3.122 0.572 1.00 . A A . 19 ARG HH21 1 1 11 3493 1 1 19 ARG HH22 H 14.489 -2.489 2.172 1.00 . A A . 19 ARG HH22 1 1 11 3494 1 1 19 ARG N N 7.923 -1.138 -3.225 1.00 . A A . 19 ARG N 1 1 11 3495 1 1 19 ARG NE N 13.110 -1.519 -0.553 1.00 . A A . 19 ARG NE 1 1 11 3496 1 1 19 ARG NH1 N 12.865 -0.682 1.576 1.00 . A A . 19 ARG NH1 1 1 11 3497 1 1 19 ARG NH2 N 14.261 -2.464 1.199 1.00 . A A . 19 ARG NH2 1 1 11 3498 1 1 19 ARG O O 7.872 0.959 -0.338 1.00 . A A . 19 ARG O 1 1 11 3499 1 1 20 THR C C 3.814 0.590 -1.195 1.00 . A A . 20 THR C 1 1 11 3500 1 1 20 THR CA C 5.223 1.168 -1.122 1.00 . A A . 20 THR CA 1 1 11 3501 1 1 20 THR CB C 5.252 2.513 -1.873 1.00 . A A . 20 THR CB 1 1 11 3502 1 1 20 THR CG2 C 4.743 3.640 -0.987 1.00 . A A . 20 THR CG2 1 1 11 3503 1 1 20 THR H H 5.932 -0.387 -2.370 1.00 . A A . 20 THR H 1 1 11 3504 1 1 20 THR HA H 5.473 1.352 -0.088 1.00 . A A . 20 THR HA 1 1 11 3505 1 1 20 THR HB H 4.609 2.439 -2.739 1.00 . A A . 20 THR HB 1 1 11 3506 1 1 20 THR HG1 H 6.601 2.890 -3.261 1.00 . A A . 20 THR HG1 1 1 11 3507 1 1 20 THR HG21 H 3.682 3.767 -1.140 1.00 . A A . 20 THR HG21 1 1 11 3508 1 1 20 THR HG22 H 5.254 4.556 -1.239 1.00 . A A . 20 THR HG22 1 1 11 3509 1 1 20 THR HG23 H 4.931 3.396 0.048 1.00 . A A . 20 THR HG23 1 1 11 3510 1 1 20 THR N N 6.203 0.235 -1.663 1.00 . A A . 20 THR N 1 1 11 3511 1 1 20 THR O O 3.570 -0.392 -1.898 1.00 . A A . 20 THR O 1 1 11 3512 1 1 20 THR OG1 O 6.586 2.805 -2.304 1.00 . A A . 20 THR OG1 1 1 11 3513 1 1 21 CYS C C 0.665 1.522 -1.462 1.00 . A A . 21 CYS C 1 1 11 3514 1 1 21 CYS CA C 1.504 0.750 -0.447 1.00 . A A . 21 CYS CA 1 1 11 3515 1 1 21 CYS CB C 0.910 0.916 0.953 1.00 . A A . 21 CYS CB 1 1 11 3516 1 1 21 CYS H H 3.143 1.982 0.075 1.00 . A A . 21 CYS H 1 1 11 3517 1 1 21 CYS HA H 1.493 -0.296 -0.711 1.00 . A A . 21 CYS HA 1 1 11 3518 1 1 21 CYS HB3 H -0.148 0.699 0.916 1.00 . A A . 21 CYS HB3 1 1 11 3519 1 1 21 CYS N N 2.889 1.204 -0.465 1.00 . A A . 21 CYS N 1 1 11 3520 1 1 21 CYS O O 0.680 2.752 -1.489 1.00 . A A . 21 CYS O 1 1 11 3521 1 1 21 CYS SG S 1.655 -0.169 2.211 1.00 . A A . 21 CYS SG 1 1 11 3522 1 1 22 PHE C C -2.030 0.454 -3.736 1.00 . A A . 22 PHE C 1 1 11 3523 1 1 22 PHE CA C -0.912 1.403 -3.312 1.00 . A A . 22 PHE CA 1 1 11 3524 1 1 22 PHE CB C -0.074 1.799 -4.530 1.00 . A A . 22 PHE CB 1 1 11 3525 1 1 22 PHE CD1 C 0.011 4.306 -4.523 1.00 . A A . 22 PHE CD1 1 1 11 3526 1 1 22 PHE CD2 C -1.256 3.221 -6.226 1.00 . A A . 22 PHE CD2 1 1 11 3527 1 1 22 PHE CE1 C -0.329 5.539 -5.050 1.00 . A A . 22 PHE CE1 1 1 11 3528 1 1 22 PHE CE2 C -1.600 4.450 -6.757 1.00 . A A . 22 PHE CE2 1 1 11 3529 1 1 22 PHE CG C -0.447 3.135 -5.104 1.00 . A A . 22 PHE CG 1 1 11 3530 1 1 22 PHE CZ C -1.136 5.610 -6.167 1.00 . A A . 22 PHE CZ 1 1 11 3531 1 1 22 PHE H H -0.038 -0.189 -2.224 1.00 . A A . 22 PHE H 1 1 11 3532 1 1 22 PHE HA H -1.353 2.291 -2.885 1.00 . A A . 22 PHE HA 1 1 11 3533 1 1 22 PHE HB3 H -0.203 1.057 -5.303 1.00 . A A . 22 PHE HB3 1 1 11 3534 1 1 22 PHE HD1 H 0.644 4.252 -3.647 1.00 . A A . 22 PHE HD1 1 1 11 3535 1 1 22 PHE HD2 H -1.620 2.315 -6.687 1.00 . A A . 22 PHE HD2 1 1 11 3536 1 1 22 PHE HE1 H 0.036 6.444 -4.586 1.00 . A A . 22 PHE HE1 1 1 11 3537 1 1 22 PHE HE2 H -2.231 4.504 -7.631 1.00 . A A . 22 PHE HE2 1 1 11 3538 1 1 22 PHE HZ H -1.403 6.571 -6.581 1.00 . A A . 22 PHE HZ 1 1 11 3539 1 1 22 PHE N N -0.068 0.789 -2.295 1.00 . A A . 22 PHE N 1 1 11 3540 1 1 22 PHE O O -1.809 -0.745 -3.906 1.00 . A A . 22 PHE O 1 1 11 3541 1 1 23 ARG C C -5.019 0.770 -5.573 1.00 . A A . 23 ARG C 1 1 11 3542 1 1 23 ARG CA C -4.382 0.204 -4.308 1.00 . A A . 23 ARG CA 1 1 11 3543 1 1 23 ARG CB C -5.415 0.157 -3.181 1.00 . A A . 23 ARG CB 1 1 11 3544 1 1 23 ARG CD C -7.649 1.261 -3.503 1.00 . A A . 23 ARG CD 1 1 11 3545 1 1 23 ARG CG C -6.214 1.441 -3.033 1.00 . A A . 23 ARG CG 1 1 11 3546 1 1 23 ARG CZ C -9.850 0.734 -2.542 1.00 . A A . 23 ARG CZ 1 1 11 3547 1 1 23 ARG H H -3.342 1.963 -3.755 1.00 . A A . 23 ARG H 1 1 11 3548 1 1 23 ARG HA H -4.038 -0.799 -4.511 1.00 . A A . 23 ARG HA 1 1 11 3549 1 1 23 ARG HB3 H -4.904 -0.033 -2.248 1.00 . A A . 23 ARG HB3 1 1 11 3550 1 1 23 ARG HD3 H -7.691 0.413 -4.169 1.00 . A A . 23 ARG HD3 1 1 11 3551 1 1 23 ARG HE H -8.205 1.116 -1.480 1.00 . A A . 23 ARG HE 1 1 11 3552 1 1 23 ARG HG3 H -5.745 2.215 -3.622 1.00 . A A . 23 ARG HG3 1 1 11 3553 1 1 23 ARG HH11 H -9.788 0.763 -4.561 1.00 . A A . 23 ARG HH11 1 1 11 3554 1 1 23 ARG HH12 H -11.333 0.391 -3.872 1.00 . A A . 23 ARG HH12 1 1 11 3555 1 1 23 ARG HH21 H -10.235 0.630 -0.561 1.00 . A A . 23 ARG HH21 1 1 11 3556 1 1 23 ARG HH22 H -11.586 0.318 -1.596 1.00 . A A . 23 ARG HH22 1 1 11 3557 1 1 23 ARG N N -3.229 1.000 -3.905 1.00 . A A . 23 ARG N 1 1 11 3558 1 1 23 ARG NE N -8.566 1.037 -2.389 1.00 . A A . 23 ARG NE 1 1 11 3559 1 1 23 ARG NH1 N -10.366 0.621 -3.759 1.00 . A A . 23 ARG NH1 1 1 11 3560 1 1 23 ARG NH2 N -10.621 0.545 -1.479 1.00 . A A . 23 ARG NH2 1 1 11 3561 1 1 23 ARG O O -6.168 0.463 -5.893 1.00 . A A . 23 ARG O 1 1 11 3562 1 1 24 ASP C C -5.934 3.137 -7.234 1.00 . A A . 24 ASP C 1 1 11 3563 1 1 24 ASP CA C -4.758 2.208 -7.520 1.00 . A A . 24 ASP CA 1 1 11 3564 1 1 24 ASP CB C -5.176 1.127 -8.517 1.00 . A A . 24 ASP CB 1 1 11 3565 1 1 24 ASP CG C -4.136 0.902 -9.596 1.00 . A A . 24 ASP CG 1 1 11 3566 1 1 24 ASP H H -3.359 1.805 -5.982 1.00 . A A . 24 ASP H 1 1 11 3567 1 1 24 ASP HA H -3.953 2.787 -7.947 1.00 . A A . 24 ASP HA 1 1 11 3568 1 1 24 ASP HB3 H -6.102 1.421 -8.990 1.00 . A A . 24 ASP HB3 1 1 11 3569 1 1 24 ASP N N -4.266 1.599 -6.288 1.00 . A A . 24 ASP N 1 1 11 3570 1 1 24 ASP O O -6.970 2.707 -6.730 1.00 . A A . 24 ASP O 1 1 11 3571 1 1 24 ASP OD1 O -2.932 1.063 -9.304 1.00 . A A . 24 ASP OD1 1 1 11 3572 1 1 24 ASP OD2 O -4.525 0.565 -10.735 1.00 . A A . 24 ASP OD2 1 1 11 3573 1 1 25 GLY C C -6.747 6.003 -5.947 1.00 . A A . 25 GLY C 1 1 11 3574 1 1 25 GLY CA C -6.818 5.386 -7.330 1.00 . A A . 25 GLY CA 1 1 11 3575 1 1 25 GLY H H -4.915 4.702 -7.958 1.00 . A A . 25 GLY H 1 1 11 3576 1 1 25 GLY HA2 H -6.738 6.170 -8.067 1.00 . A A . 25 GLY HA2 1 1 11 3577 1 1 25 GLY HA3 H -7.774 4.895 -7.443 1.00 . A A . 25 GLY HA3 1 1 11 3578 1 1 25 GLY N N -5.765 4.415 -7.559 1.00 . A A . 25 GLY N 1 1 11 3579 1 1 25 GLY O O -6.936 7.209 -5.787 1.00 . A A . 25 GLY O 1 1 11 3580 1 1 26 LEU C C -4.940 5.600 -3.074 1.00 . A A . 26 LEU C 1 1 11 3581 1 1 26 LEU CA C -6.383 5.645 -3.567 1.00 . A A . 26 LEU CA 1 1 11 3582 1 1 26 LEU CB C -7.272 4.798 -2.656 1.00 . A A . 26 LEU CB 1 1 11 3583 1 1 26 LEU CD1 C -9.692 4.230 -2.979 1.00 . A A . 26 LEU CD1 1 1 11 3584 1 1 26 LEU CD2 C -8.988 5.631 -1.029 1.00 . A A . 26 LEU CD2 1 1 11 3585 1 1 26 LEU CG C -8.712 5.283 -2.485 1.00 . A A . 26 LEU CG 1 1 11 3586 1 1 26 LEU H H -6.335 4.224 -5.134 1.00 . A A . 26 LEU H 1 1 11 3587 1 1 26 LEU HA H -6.726 6.669 -3.543 1.00 . A A . 26 LEU HA 1 1 11 3588 1 1 26 LEU HB3 H -6.812 4.772 -1.678 1.00 . A A . 26 LEU HB3 1 1 11 3589 1 1 26 LEU HD11 H -10.701 4.591 -2.854 1.00 . A A . 26 LEU HD11 1 1 11 3590 1 1 26 LEU HD12 H -9.561 3.322 -2.409 1.00 . A A . 26 LEU HD12 1 1 11 3591 1 1 26 LEU HD13 H -9.507 4.028 -4.023 1.00 . A A . 26 LEU HD13 1 1 11 3592 1 1 26 LEU HD21 H -10.022 5.926 -0.920 1.00 . A A . 26 LEU HD21 1 1 11 3593 1 1 26 LEU HD22 H -8.347 6.445 -0.727 1.00 . A A . 26 LEU HD22 1 1 11 3594 1 1 26 LEU HD23 H -8.793 4.768 -0.410 1.00 . A A . 26 LEU HD23 1 1 11 3595 1 1 26 LEU HG H -8.857 6.177 -3.076 1.00 . A A . 26 LEU HG 1 1 11 3596 1 1 26 LEU N N -6.477 5.175 -4.944 1.00 . A A . 26 LEU N 1 1 11 3597 1 1 26 LEU O O -4.514 4.654 -2.411 1.00 . A A . 26 LEU O 1 1 11 3598 1 1 27 PRO C C -2.605 6.980 -1.499 1.00 . A A . 27 PRO C 1 1 11 3599 1 1 27 PRO CA C -2.763 6.753 -2.998 1.00 . A A . 27 PRO CA 1 1 11 3600 1 1 27 PRO CB C -2.260 7.970 -3.780 1.00 . A A . 27 PRO CB 1 1 11 3601 1 1 27 PRO CD C -4.610 7.811 -4.188 1.00 . A A . 27 PRO CD 1 1 11 3602 1 1 27 PRO CG C -3.478 8.789 -4.030 1.00 . A A . 27 PRO CG 1 1 11 3603 1 1 27 PRO HA H -2.200 5.877 -3.290 1.00 . A A . 27 PRO HA 1 1 11 3604 1 1 27 PRO HB3 H -1.805 7.645 -4.704 1.00 . A A . 27 PRO HB3 1 1 11 3605 1 1 27 PRO HD3 H -4.736 7.546 -5.228 1.00 . A A . 27 PRO HD3 1 1 11 3606 1 1 27 PRO HG3 H -3.353 9.366 -4.934 1.00 . A A . 27 PRO HG3 1 1 11 3607 1 1 27 PRO N N -4.169 6.648 -3.401 1.00 . A A . 27 PRO N 1 1 11 3608 1 1 27 PRO O O -1.669 7.647 -1.058 1.00 . A A . 27 PRO O 1 1 12 3609 1 1 1 SER C C -4.549 4.679 1.260 1.00 . A A . 1 SER C 1 1 12 3610 1 1 1 SER CA C -4.518 5.872 0.308 1.00 . A A . 1 SER CA 1 1 12 3611 1 1 1 SER CB C -5.946 6.302 -0.034 1.00 . A A . 1 SER CB 1 1 12 3612 1 1 1 SER H1 H -4.240 5.075 -1.633 1.00 . A A . 1 SER H1 1 1 12 3613 1 1 1 SER HA H -4.011 6.692 0.795 1.00 . A A . 1 SER HA 1 1 12 3614 1 1 1 SER HB3 H -5.971 7.372 -0.181 1.00 . A A . 1 SER HB3 1 1 12 3615 1 1 1 SER HG H -6.307 4.716 -1.126 1.00 . A A . 1 SER HG 1 1 12 3616 1 1 1 SER N N -3.781 5.548 -0.907 1.00 . A A . 1 SER N 1 1 12 3617 1 1 1 SER O O -5.453 4.552 2.086 1.00 . A A . 1 SER O 1 1 12 3618 1 1 1 SER OG O -6.400 5.668 -1.218 1.00 . A A . 1 SER OG 1 1 12 3619 1 1 2 CYS C C -2.244 2.697 2.894 1.00 . A A . 2 CYS C 1 1 12 3620 1 1 2 CYS CA C -3.465 2.623 1.984 1.00 . A A . 2 CYS CA 1 1 12 3621 1 1 2 CYS CB C -3.398 1.360 1.123 1.00 . A A . 2 CYS CB 1 1 12 3622 1 1 2 CYS H H -2.863 3.963 0.459 1.00 . A A . 2 CYS H 1 1 12 3623 1 1 2 CYS HA H -4.354 2.586 2.595 1.00 . A A . 2 CYS HA 1 1 12 3624 1 1 2 CYS HB3 H -2.848 0.599 1.657 1.00 . A A . 2 CYS HB3 1 1 12 3625 1 1 2 CYS N N -3.554 3.807 1.137 1.00 . A A . 2 CYS N 1 1 12 3626 1 1 2 CYS O O -1.108 2.749 2.424 1.00 . A A . 2 CYS O 1 1 12 3627 1 1 2 CYS SG S -5.027 0.666 0.693 1.00 . A A . 2 CYS SG 1 1 12 3628 1 1 3 GLY C C -0.544 1.516 5.156 1.00 . A A . 3 GLY C 1 1 12 3629 1 1 3 GLY CA C -1.397 2.769 5.159 1.00 . A A . 3 GLY CA 1 1 12 3630 1 1 3 GLY H H -3.413 2.658 4.520 1.00 . A A . 3 GLY H 1 1 12 3631 1 1 3 GLY HA2 H -0.774 3.617 4.919 1.00 . A A . 3 GLY HA2 1 1 12 3632 1 1 3 GLY HA3 H -1.809 2.906 6.147 1.00 . A A . 3 GLY HA3 1 1 12 3633 1 1 3 GLY N N -2.486 2.702 4.202 1.00 . A A . 3 GLY N 1 1 12 3634 1 1 3 GLY O O -0.267 0.948 4.100 1.00 . A A . 3 GLY O 1 1 12 3635 1 1 4 GLY C C 1.988 0.008 5.657 1.00 . A A . 4 GLY C 1 1 12 3636 1 1 4 GLY CA C 0.700 -0.106 6.448 1.00 . A A . 4 GLY CA 1 1 12 3637 1 1 4 GLY H H -0.376 1.577 7.149 1.00 . A A . 4 GLY H 1 1 12 3638 1 1 4 GLY HA2 H 0.941 -0.271 7.487 1.00 . A A . 4 GLY HA2 1 1 12 3639 1 1 4 GLY HA3 H 0.139 -0.952 6.079 1.00 . A A . 4 GLY HA3 1 1 12 3640 1 1 4 GLY N N -0.124 1.085 6.340 1.00 . A A . 4 GLY N 1 1 12 3641 1 1 4 GLY O O 2.286 1.061 5.091 1.00 . A A . 4 GLY O 1 1 12 3642 1 1 5 SER C C 4.453 -2.523 4.588 1.00 . A A . 5 SER C 1 1 12 3643 1 1 5 SER CA C 4.020 -1.093 4.894 1.00 . A A . 5 SER CA 1 1 12 3644 1 1 5 SER CB C 5.105 -0.382 5.707 1.00 . A A . 5 SER CB 1 1 12 3645 1 1 5 SER H H 2.463 -1.885 6.088 1.00 . A A . 5 SER H 1 1 12 3646 1 1 5 SER HA H 3.877 -0.565 3.963 1.00 . A A . 5 SER HA 1 1 12 3647 1 1 5 SER HB3 H 5.633 -1.107 6.310 1.00 . A A . 5 SER HB3 1 1 12 3648 1 1 5 SER HG H 6.154 1.176 5.149 1.00 . A A . 5 SER HG 1 1 12 3649 1 1 5 SER N N 2.755 -1.076 5.617 1.00 . A A . 5 SER N 1 1 12 3650 1 1 5 SER O O 3.941 -3.478 5.172 1.00 . A A . 5 SER O 1 1 12 3651 1 1 5 SER OG O 6.034 0.269 4.857 1.00 . A A . 5 SER OG 1 1 12 3652 1 1 6 CYS C C 6.426 -4.738 4.497 1.00 . A A . 6 CYS C 1 1 12 3653 1 1 6 CYS CA C 5.906 -3.975 3.282 1.00 . A A . 6 CYS CA 1 1 12 3654 1 1 6 CYS CB C 7.019 -3.833 2.241 1.00 . A A . 6 CYS CB 1 1 12 3655 1 1 6 CYS H H 5.773 -1.863 3.237 1.00 . A A . 6 CYS H 1 1 12 3656 1 1 6 CYS HA H 5.089 -4.530 2.848 1.00 . A A . 6 CYS HA 1 1 12 3657 1 1 6 CYS HB3 H 7.721 -4.643 2.362 1.00 . A A . 6 CYS HB3 1 1 12 3658 1 1 6 CYS N N 5.402 -2.663 3.668 1.00 . A A . 6 CYS N 1 1 12 3659 1 1 6 CYS O O 6.509 -5.966 4.485 1.00 . A A . 6 CYS O 1 1 12 3660 1 1 6 CYS SG S 6.430 -3.858 0.517 1.00 . A A . 6 CYS SG 1 1 12 3661 1 1 7 PHE C C 6.276 -5.577 7.362 1.00 . A A . 7 PHE C 1 1 12 3662 1 1 7 PHE CA C 7.291 -4.605 6.768 1.00 . A A . 7 PHE CA 1 1 12 3663 1 1 7 PHE CB C 7.637 -3.521 7.793 1.00 . A A . 7 PHE CB 1 1 12 3664 1 1 7 PHE CD1 C 9.121 -4.983 9.190 1.00 . A A . 7 PHE CD1 1 1 12 3665 1 1 7 PHE CD2 C 7.463 -3.671 10.291 1.00 . A A . 7 PHE CD2 1 1 12 3666 1 1 7 PHE CE1 C 9.533 -5.489 10.409 1.00 . A A . 7 PHE CE1 1 1 12 3667 1 1 7 PHE CE2 C 7.870 -4.174 11.513 1.00 . A A . 7 PHE CE2 1 1 12 3668 1 1 7 PHE CG C 8.083 -4.070 9.118 1.00 . A A . 7 PHE CG 1 1 12 3669 1 1 7 PHE CZ C 8.908 -5.084 11.571 1.00 . A A . 7 PHE CZ 1 1 12 3670 1 1 7 PHE H H 6.689 -3.024 5.494 1.00 . A A . 7 PHE H 1 1 12 3671 1 1 7 PHE HA H 8.189 -5.149 6.517 1.00 . A A . 7 PHE HA 1 1 12 3672 1 1 7 PHE HB3 H 6.765 -2.906 7.962 1.00 . A A . 7 PHE HB3 1 1 12 3673 1 1 7 PHE HD1 H 9.612 -5.300 8.282 1.00 . A A . 7 PHE HD1 1 1 12 3674 1 1 7 PHE HD2 H 6.651 -2.959 10.247 1.00 . A A . 7 PHE HD2 1 1 12 3675 1 1 7 PHE HE1 H 10.345 -6.201 10.452 1.00 . A A . 7 PHE HE1 1 1 12 3676 1 1 7 PHE HE2 H 7.379 -3.854 12.419 1.00 . A A . 7 PHE HE2 1 1 12 3677 1 1 7 PHE HZ H 9.227 -5.478 12.524 1.00 . A A . 7 PHE HZ 1 1 12 3678 1 1 7 PHE N N 6.778 -4.000 5.546 1.00 . A A . 7 PHE N 1 1 12 3679 1 1 7 PHE O O 6.424 -6.792 7.248 1.00 . A A . 7 PHE O 1 1 12 3680 1 1 8 GLY C C 3.028 -6.070 7.686 1.00 . A A . 8 GLY C 1 1 12 3681 1 1 8 GLY CA C 4.219 -5.863 8.601 1.00 . A A . 8 GLY CA 1 1 12 3682 1 1 8 GLY H H 5.178 -4.054 8.057 1.00 . A A . 8 GLY H 1 1 12 3683 1 1 8 GLY HA2 H 4.647 -6.825 8.841 1.00 . A A . 8 GLY HA2 1 1 12 3684 1 1 8 GLY HA3 H 3.880 -5.393 9.513 1.00 . A A . 8 GLY HA3 1 1 12 3685 1 1 8 GLY N N 5.244 -5.031 7.998 1.00 . A A . 8 GLY N 1 1 12 3686 1 1 8 GLY O O 1.946 -6.438 8.140 1.00 . A A . 8 GLY O 1 1 12 3687 1 1 9 GLY C C 1.349 -4.726 5.236 1.00 . A A . 9 GLY C 1 1 12 3688 1 1 9 GLY CA C 2.151 -5.997 5.434 1.00 . A A . 9 GLY CA 1 1 12 3689 1 1 9 GLY H H 4.113 -5.540 6.089 1.00 . A A . 9 GLY H 1 1 12 3690 1 1 9 GLY HA2 H 2.573 -6.296 4.485 1.00 . A A . 9 GLY HA2 1 1 12 3691 1 1 9 GLY HA3 H 1.489 -6.775 5.784 1.00 . A A . 9 GLY HA3 1 1 12 3692 1 1 9 GLY N N 3.227 -5.831 6.394 1.00 . A A . 9 GLY N 1 1 12 3693 1 1 9 GLY O O 1.005 -4.044 6.202 1.00 . A A . 9 GLY O 1 1 12 3694 1 1 10 CYS C C -1.060 -3.212 4.373 1.00 . A A . 10 CYS C 1 1 12 3695 1 1 10 CYS CA C 0.288 -3.206 3.659 1.00 . A A . 10 CYS CA 1 1 12 3696 1 1 10 CYS CB C 0.077 -3.101 2.148 1.00 . A A . 10 CYS CB 1 1 12 3697 1 1 10 CYS H H 1.355 -4.988 3.254 1.00 . A A . 10 CYS H 1 1 12 3698 1 1 10 CYS HA H 0.855 -2.350 3.996 1.00 . A A . 10 CYS HA 1 1 12 3699 1 1 10 CYS HB3 H -0.866 -2.610 1.956 1.00 . A A . 10 CYS HB3 1 1 12 3700 1 1 10 CYS N N 1.053 -4.405 3.982 1.00 . A A . 10 CYS N 1 1 12 3701 1 1 10 CYS O O -1.427 -4.193 5.020 1.00 . A A . 10 CYS O 1 1 12 3702 1 1 10 CYS SG S 1.377 -2.165 1.279 1.00 . A A . 10 CYS SG 1 1 12 3703 1 1 11 TRP C C -3.994 -3.172 4.518 1.00 . A A . 11 TRP C 1 1 12 3704 1 1 11 TRP CA C -3.103 -1.991 4.882 1.00 . A A . 11 TRP CA 1 1 12 3705 1 1 11 TRP CB C -3.774 -0.681 4.465 1.00 . A A . 11 TRP CB 1 1 12 3706 1 1 11 TRP CD1 C -3.239 0.476 6.687 1.00 . A A . 11 TRP CD1 1 1 12 3707 1 1 11 TRP CD2 C -5.222 1.037 5.812 1.00 . A A . 11 TRP CD2 1 1 12 3708 1 1 11 TRP CE2 C -5.052 1.737 7.023 1.00 . A A . 11 TRP CE2 1 1 12 3709 1 1 11 TRP CE3 C -6.398 1.232 5.082 1.00 . A A . 11 TRP CE3 1 1 12 3710 1 1 11 TRP CG C -4.051 0.237 5.616 1.00 . A A . 11 TRP CG 1 1 12 3711 1 1 11 TRP CH2 C -7.154 2.786 6.781 1.00 . A A . 11 TRP CH2 1 1 12 3712 1 1 11 TRP CZ2 C -6.014 2.614 7.517 1.00 . A A . 11 TRP CZ2 1 1 12 3713 1 1 11 TRP CZ3 C -7.351 2.103 5.573 1.00 . A A . 11 TRP CZ3 1 1 12 3714 1 1 11 TRP H H -1.447 -1.363 3.720 1.00 . A A . 11 TRP H 1 1 12 3715 1 1 11 TRP HA H -2.953 -1.983 5.952 1.00 . A A . 11 TRP HA 1 1 12 3716 1 1 11 TRP HB3 H -4.715 -0.906 3.982 1.00 . A A . 11 TRP HB3 1 1 12 3717 1 1 11 TRP HD1 H -2.273 0.017 6.834 1.00 . A A . 11 TRP HD1 1 1 12 3718 1 1 11 TRP HE1 H -3.449 1.708 8.375 1.00 . A A . 11 TRP HE1 1 1 12 3719 1 1 11 TRP HE3 H -6.568 0.715 4.149 1.00 . A A . 11 TRP HE3 1 1 12 3720 1 1 11 TRP HH2 H -7.926 3.456 7.128 1.00 . A A . 11 TRP HH2 1 1 12 3721 1 1 11 TRP HZ2 H -5.876 3.148 8.446 1.00 . A A . 11 TRP HZ2 1 1 12 3722 1 1 11 TRP HZ3 H -8.266 2.266 5.023 1.00 . A A . 11 TRP HZ3 1 1 12 3723 1 1 11 TRP N N -1.795 -2.112 4.249 1.00 . A A . 11 TRP N 1 1 12 3724 1 1 11 TRP NE1 N -3.834 1.377 7.537 1.00 . A A . 11 TRP NE1 1 1 12 3725 1 1 11 TRP O O -3.720 -3.941 3.579 1.00 . A A . 11 TRP O 1 1 12 3726 1 1 12 HYP C C -6.833 -4.292 3.766 1.00 . A A . 12 HYP C 1 1 12 3727 1 1 12 HYP CA C -6.051 -4.432 5.061 1.00 . A A . 12 HYP CA 1 1 12 3728 1 1 12 HYP CB C -6.990 -4.328 6.276 1.00 . A A . 12 HYP CB 1 1 12 3729 1 1 12 HYP CD C -5.503 -2.491 6.389 1.00 . A A . 12 HYP CD 1 1 12 3730 1 1 12 HYP CG C -6.258 -3.461 7.234 1.00 . A A . 12 HYP CG 1 1 12 3731 1 1 12 HYP HA H -5.554 -5.391 5.073 1.00 . A A . 12 HYP HA 1 1 12 3732 1 1 12 HYP HB2 H -7.163 -5.311 6.687 1.00 . A A . 12 HYP HB2 1 1 12 3733 1 1 12 HYP HB3 H -7.928 -3.882 5.977 1.00 . A A . 12 HYP HB3 1 1 12 3734 1 1 12 HYP HD1 H -5.124 -5.172 7.457 1.00 . A A . 12 HYP HD1 1 1 12 3735 1 1 12 HYP HD22 H -6.467 -1.790 6.247 1.00 . A A . 12 HYP HD22 1 1 12 3736 1 1 12 HYP HD23 H -4.930 -2.097 7.090 1.00 . A A . 12 HYP HD23 1 1 12 3737 1 1 12 HYP HG H -7.121 -3.270 7.989 1.00 . A A . 12 HYP HG 1 1 12 3738 1 1 12 HYP N N -5.096 -3.338 5.268 1.00 . A A . 12 HYP N 1 1 12 3739 1 1 12 HYP O O -7.600 -3.349 3.575 1.00 . A A . 12 HYP O 1 1 12 3740 1 1 12 HYP OD1 O -5.374 -4.403 7.991 1.00 . A A . 12 HYP OD1 1 1 12 3741 1 1 13 GLY C C -6.517 -4.497 0.517 1.00 . A A . 13 GLY C 1 1 12 3742 1 1 13 GLY CA C -7.310 -5.224 1.586 1.00 . A A . 13 GLY CA 1 1 12 3743 1 1 13 GLY H H -6.002 -5.975 3.072 1.00 . A A . 13 GLY H 1 1 12 3744 1 1 13 GLY HA2 H -7.483 -6.239 1.263 1.00 . A A . 13 GLY HA2 1 1 12 3745 1 1 13 GLY HA3 H -8.262 -4.729 1.709 1.00 . A A . 13 GLY HA3 1 1 12 3746 1 1 13 GLY N N -6.625 -5.248 2.865 1.00 . A A . 13 GLY N 1 1 12 3747 1 1 13 GLY O O -7.044 -4.182 -0.550 1.00 . A A . 13 GLY O 1 1 12 3748 1 1 14 CYS C C -3.204 -4.414 -0.548 1.00 . A A . 14 CYS C 1 1 12 3749 1 1 14 CYS CA C -4.381 -3.533 -0.138 1.00 . A A . 14 CYS CA 1 1 12 3750 1 1 14 CYS CB C -3.865 -2.230 0.477 1.00 . A A . 14 CYS CB 1 1 12 3751 1 1 14 CYS H H -4.885 -4.505 1.673 1.00 . A A . 14 CYS H 1 1 12 3752 1 1 14 CYS HA H -4.963 -3.301 -1.017 1.00 . A A . 14 CYS HA 1 1 12 3753 1 1 14 CYS HB3 H -3.406 -1.632 -0.298 1.00 . A A . 14 CYS HB3 1 1 12 3754 1 1 14 CYS N N -5.248 -4.228 0.805 1.00 . A A . 14 CYS N 1 1 12 3755 1 1 14 CYS O O -3.174 -5.607 -0.246 1.00 . A A . 14 CYS O 1 1 12 3756 1 1 14 CYS SG S -5.159 -1.218 1.265 1.00 . A A . 14 CYS SG 1 1 12 3757 1 1 15 SER C C 0.191 -3.680 -1.593 1.00 . A A . 15 SER C 1 1 12 3758 1 1 15 SER CA C -1.060 -4.548 -1.692 1.00 . A A . 15 SER CA 1 1 12 3759 1 1 15 SER CB C -1.253 -5.023 -3.133 1.00 . A A . 15 SER CB 1 1 12 3760 1 1 15 SER H H -2.318 -2.863 -1.448 1.00 . A A . 15 SER H 1 1 12 3761 1 1 15 SER HA H -0.936 -5.410 -1.052 1.00 . A A . 15 SER HA 1 1 12 3762 1 1 15 SER HB3 H -0.805 -5.999 -3.251 1.00 . A A . 15 SER HB3 1 1 12 3763 1 1 15 SER HG H -2.926 -6.014 -3.361 1.00 . A A . 15 SER HG 1 1 12 3764 1 1 15 SER N N -2.236 -3.817 -1.237 1.00 . A A . 15 SER N 1 1 12 3765 1 1 15 SER O O 0.105 -2.453 -1.516 1.00 . A A . 15 SER O 1 1 12 3766 1 1 15 SER OG O -2.628 -5.107 -3.462 1.00 . A A . 15 SER OG 1 1 12 3767 1 1 16 CYS C C 3.407 -3.735 -2.809 1.00 . A A . 16 CYS C 1 1 12 3768 1 1 16 CYS CA C 2.622 -3.613 -1.507 1.00 . A A . 16 CYS CA 1 1 12 3769 1 1 16 CYS CB C 3.455 -4.156 -0.344 1.00 . A A . 16 CYS CB 1 1 12 3770 1 1 16 CYS H H 1.357 -5.303 -1.659 1.00 . A A . 16 CYS H 1 1 12 3771 1 1 16 CYS HA H 2.407 -2.570 -1.328 1.00 . A A . 16 CYS HA 1 1 12 3772 1 1 16 CYS HB3 H 3.992 -5.033 -0.674 1.00 . A A . 16 CYS HB3 1 1 12 3773 1 1 16 CYS N N 1.353 -4.324 -1.596 1.00 . A A . 16 CYS N 1 1 12 3774 1 1 16 CYS O O 3.974 -4.787 -3.109 1.00 . A A . 16 CYS O 1 1 12 3775 1 1 16 CYS SG S 4.675 -2.974 0.313 1.00 . A A . 16 CYS SG 1 1 12 3776 1 1 17 TYR C C 5.170 -1.505 -4.891 1.00 . A A . 17 TYR C 1 1 12 3777 1 1 17 TYR CA C 4.151 -2.640 -4.851 1.00 . A A . 17 TYR CA 1 1 12 3778 1 1 17 TYR CB C 3.166 -2.497 -6.012 1.00 . A A . 17 TYR CB 1 1 12 3779 1 1 17 TYR CD1 C 4.291 -3.623 -7.972 1.00 . A A . 17 TYR CD1 1 1 12 3780 1 1 17 TYR CD2 C 3.995 -1.260 -8.051 1.00 . A A . 17 TYR CD2 1 1 12 3781 1 1 17 TYR CE1 C 4.900 -3.594 -9.211 1.00 . A A . 17 TYR CE1 1 1 12 3782 1 1 17 TYR CE2 C 4.601 -1.221 -9.292 1.00 . A A . 17 TYR CE2 1 1 12 3783 1 1 17 TYR CG C 3.830 -2.459 -7.369 1.00 . A A . 17 TYR CG 1 1 12 3784 1 1 17 TYR CZ C 5.052 -2.390 -9.868 1.00 . A A . 17 TYR CZ 1 1 12 3785 1 1 17 TYR H H 2.968 -1.845 -3.287 1.00 . A A . 17 TYR H 1 1 12 3786 1 1 17 TYR HA H 4.673 -3.581 -4.949 1.00 . A A . 17 TYR HA 1 1 12 3787 1 1 17 TYR HB3 H 2.607 -1.580 -5.890 1.00 . A A . 17 TYR HB3 1 1 12 3788 1 1 17 TYR HD1 H 4.170 -4.565 -7.455 1.00 . A A . 17 TYR HD1 1 1 12 3789 1 1 17 TYR HD2 H 3.641 -0.346 -7.597 1.00 . A A . 17 TYR HD2 1 1 12 3790 1 1 17 TYR HE1 H 5.252 -4.510 -9.662 1.00 . A A . 17 TYR HE1 1 1 12 3791 1 1 17 TYR HE2 H 4.721 -0.279 -9.807 1.00 . A A . 17 TYR HE2 1 1 12 3792 1 1 17 TYR HH H 5.162 -1.774 -11.686 1.00 . A A . 17 TYR HH 1 1 12 3793 1 1 17 TYR N N 3.438 -2.653 -3.579 1.00 . A A . 17 TYR N 1 1 12 3794 1 1 17 TYR O O 4.843 -0.352 -4.616 1.00 . A A . 17 TYR O 1 1 12 3795 1 1 17 TYR OH O 5.656 -2.357 -11.103 1.00 . A A . 17 TYR OH 1 1 12 3796 1 1 18 ALA C C 7.783 -0.264 -3.947 1.00 . A A . 18 ALA C 1 1 12 3797 1 1 18 ALA CA C 7.475 -0.853 -5.320 1.00 . A A . 18 ALA CA 1 1 12 3798 1 1 18 ALA CB C 7.100 0.250 -6.298 1.00 . A A . 18 ALA CB 1 1 12 3799 1 1 18 ALA H H 6.608 -2.779 -5.449 1.00 . A A . 18 ALA H 1 1 12 3800 1 1 18 ALA HA H 8.360 -1.346 -5.695 1.00 . A A . 18 ALA HA 1 1 12 3801 1 1 18 ALA HB1 H 7.991 0.614 -6.789 1.00 . A A . 18 ALA HB1 1 1 12 3802 1 1 18 ALA HB2 H 6.415 -0.140 -7.036 1.00 . A A . 18 ALA HB2 1 1 12 3803 1 1 18 ALA HB3 H 6.628 1.061 -5.762 1.00 . A A . 18 ALA HB3 1 1 12 3804 1 1 18 ALA N N 6.408 -1.842 -5.239 1.00 . A A . 18 ALA N 1 1 12 3805 1 1 18 ALA O O 7.855 0.954 -3.787 1.00 . A A . 18 ALA O 1 1 12 3806 1 1 19 ARG C C 7.254 0.350 -1.135 1.00 . A A . 19 ARG C 1 1 12 3807 1 1 19 ARG CA C 8.257 -0.702 -1.601 1.00 . A A . 19 ARG CA 1 1 12 3808 1 1 19 ARG CB C 9.676 -0.137 -1.522 1.00 . A A . 19 ARG CB 1 1 12 3809 1 1 19 ARG CD C 12.087 -0.645 -2.023 1.00 . A A . 19 ARG CD 1 1 12 3810 1 1 19 ARG CG C 10.759 -1.206 -1.540 1.00 . A A . 19 ARG CG 1 1 12 3811 1 1 19 ARG CZ C 13.074 0.475 -0.069 1.00 . A A . 19 ARG CZ 1 1 12 3812 1 1 19 ARG H H 7.889 -2.095 -3.150 1.00 . A A . 19 ARG H 1 1 12 3813 1 1 19 ARG HA H 8.185 -1.563 -0.954 1.00 . A A . 19 ARG HA 1 1 12 3814 1 1 19 ARG HB3 H 9.776 0.429 -0.608 1.00 . A A . 19 ARG HB3 1 1 12 3815 1 1 19 ARG HD3 H 11.991 -0.375 -3.064 1.00 . A A . 19 ARG HD3 1 1 12 3816 1 1 19 ARG HE H 12.322 1.413 -1.662 1.00 . A A . 19 ARG HE 1 1 12 3817 1 1 19 ARG HG3 H 10.452 -2.003 -2.200 1.00 . A A . 19 ARG HG3 1 1 12 3818 1 1 19 ARG HH11 H 13.063 -1.543 0.022 1.00 . A A . 19 ARG HH11 1 1 12 3819 1 1 19 ARG HH12 H 13.756 -0.741 1.393 1.00 . A A . 19 ARG HH12 1 1 12 3820 1 1 19 ARG HH21 H 13.232 2.480 0.138 1.00 . A A . 19 ARG HH21 1 1 12 3821 1 1 19 ARG HH22 H 13.851 1.548 1.458 1.00 . A A . 19 ARG HH22 1 1 12 3822 1 1 19 ARG N N 7.960 -1.137 -2.960 1.00 . A A . 19 ARG N 1 1 12 3823 1 1 19 ARG NE N 12.492 0.534 -1.262 1.00 . A A . 19 ARG NE 1 1 12 3824 1 1 19 ARG NH1 N 13.317 -0.699 0.496 1.00 . A A . 19 ARG NH1 1 1 12 3825 1 1 19 ARG NH2 N 13.413 1.592 0.560 1.00 . A A . 19 ARG NH2 1 1 12 3826 1 1 19 ARG O O 7.579 1.220 -0.326 1.00 . A A . 19 ARG O 1 1 12 3827 1 1 20 THR C C 3.605 0.556 -1.372 1.00 . A A . 20 THR C 1 1 12 3828 1 1 20 THR CA C 4.981 1.208 -1.289 1.00 . A A . 20 THR CA 1 1 12 3829 1 1 20 THR CB C 5.005 2.450 -2.199 1.00 . A A . 20 THR CB 1 1 12 3830 1 1 20 THR CG2 C 4.396 3.651 -1.491 1.00 . A A . 20 THR CG2 1 1 12 3831 1 1 20 THR H H 5.833 -0.452 -2.289 1.00 . A A . 20 THR H 1 1 12 3832 1 1 20 THR HA H 5.156 1.528 -0.272 1.00 . A A . 20 THR HA 1 1 12 3833 1 1 20 THR HB H 4.423 2.239 -3.084 1.00 . A A . 20 THR HB 1 1 12 3834 1 1 20 THR HG1 H 6.346 3.436 -3.255 1.00 . A A . 20 THR HG1 1 1 12 3835 1 1 20 THR HG21 H 4.829 4.558 -1.885 1.00 . A A . 20 THR HG21 1 1 12 3836 1 1 20 THR HG22 H 4.600 3.585 -0.432 1.00 . A A . 20 THR HG22 1 1 12 3837 1 1 20 THR HG23 H 3.329 3.661 -1.652 1.00 . A A . 20 THR HG23 1 1 12 3838 1 1 20 THR N N 6.032 0.264 -1.650 1.00 . A A . 20 THR N 1 1 12 3839 1 1 20 THR O O 3.449 -0.516 -1.956 1.00 . A A . 20 THR O 1 1 12 3840 1 1 20 THR OG1 O 6.350 2.748 -2.585 1.00 . A A . 20 THR OG1 1 1 12 3841 1 1 21 CYS C C 0.383 1.459 -1.793 1.00 . A A . 21 CYS C 1 1 12 3842 1 1 21 CYS CA C 1.246 0.698 -0.791 1.00 . A A . 21 CYS CA 1 1 12 3843 1 1 21 CYS CB C 0.632 0.800 0.607 1.00 . A A . 21 CYS CB 1 1 12 3844 1 1 21 CYS H H 2.797 2.063 -0.334 1.00 . A A . 21 CYS H 1 1 12 3845 1 1 21 CYS HA H 1.284 -0.341 -1.083 1.00 . A A . 21 CYS HA 1 1 12 3846 1 1 21 CYS HB3 H -0.412 0.528 0.555 1.00 . A A . 21 CYS HB3 1 1 12 3847 1 1 21 CYS N N 2.610 1.212 -0.784 1.00 . A A . 21 CYS N 1 1 12 3848 1 1 21 CYS O O 0.538 2.667 -1.971 1.00 . A A . 21 CYS O 1 1 12 3849 1 1 21 CYS SG S 1.425 -0.275 1.847 1.00 . A A . 21 CYS SG 1 1 12 3850 1 1 22 PHE C C -2.651 0.483 -3.656 1.00 . A A . 22 PHE C 1 1 12 3851 1 1 22 PHE CA C -1.415 1.350 -3.430 1.00 . A A . 22 PHE CA 1 1 12 3852 1 1 22 PHE CB C -0.677 1.559 -4.753 1.00 . A A . 22 PHE CB 1 1 12 3853 1 1 22 PHE CD1 C -0.582 4.048 -5.063 1.00 . A A . 22 PHE CD1 1 1 12 3854 1 1 22 PHE CD2 C -1.941 2.772 -6.550 1.00 . A A . 22 PHE CD2 1 1 12 3855 1 1 22 PHE CE1 C -0.948 5.207 -5.720 1.00 . A A . 22 PHE CE1 1 1 12 3856 1 1 22 PHE CE2 C -2.309 3.928 -7.211 1.00 . A A . 22 PHE CE2 1 1 12 3857 1 1 22 PHE CG C -1.075 2.818 -5.470 1.00 . A A . 22 PHE CG 1 1 12 3858 1 1 22 PHE CZ C -1.811 5.147 -6.796 1.00 . A A . 22 PHE CZ 1 1 12 3859 1 1 22 PHE H H -0.604 -0.216 -2.259 1.00 . A A . 22 PHE H 1 1 12 3860 1 1 22 PHE HA H -1.728 2.309 -3.047 1.00 . A A . 22 PHE HA 1 1 12 3861 1 1 22 PHE HB3 H -0.881 0.724 -5.407 1.00 . A A . 22 PHE HB3 1 1 12 3862 1 1 22 PHE HD1 H 0.094 4.096 -4.222 1.00 . A A . 22 PHE HD1 1 1 12 3863 1 1 22 PHE HD2 H -2.331 1.817 -6.876 1.00 . A A . 22 PHE HD2 1 1 12 3864 1 1 22 PHE HE1 H -0.557 6.160 -5.394 1.00 . A A . 22 PHE HE1 1 1 12 3865 1 1 22 PHE HE2 H -2.985 3.877 -8.052 1.00 . A A . 22 PHE HE2 1 1 12 3866 1 1 22 PHE HZ H -2.099 6.051 -7.311 1.00 . A A . 22 PHE HZ 1 1 12 3867 1 1 22 PHE N N -0.528 0.743 -2.445 1.00 . A A . 22 PHE N 1 1 12 3868 1 1 22 PHE O O -2.573 -0.745 -3.637 1.00 . A A . 22 PHE O 1 1 12 3869 1 1 23 ARG C C -5.826 1.053 -5.244 1.00 . A A . 23 ARG C 1 1 12 3870 1 1 23 ARG CA C -5.044 0.422 -4.096 1.00 . A A . 23 ARG CA 1 1 12 3871 1 1 23 ARG CB C -5.893 0.423 -2.825 1.00 . A A . 23 ARG CB 1 1 12 3872 1 1 23 ARG CD C -7.911 1.790 -2.208 1.00 . A A . 23 ARG CD 1 1 12 3873 1 1 23 ARG CG C -6.407 1.800 -2.436 1.00 . A A . 23 ARG CG 1 1 12 3874 1 1 23 ARG CZ C -9.420 1.878 -0.269 1.00 . A A . 23 ARG CZ 1 1 12 3875 1 1 23 ARG H H -3.790 2.112 -3.872 1.00 . A A . 23 ARG H 1 1 12 3876 1 1 23 ARG HA H -4.804 -0.598 -4.357 1.00 . A A . 23 ARG HA 1 1 12 3877 1 1 23 ARG HB3 H -5.299 0.041 -2.008 1.00 . A A . 23 ARG HB3 1 1 12 3878 1 1 23 ARG HD3 H -8.347 1.009 -2.811 1.00 . A A . 23 ARG HD3 1 1 12 3879 1 1 23 ARG HE H -7.570 1.133 -0.241 1.00 . A A . 23 ARG HE 1 1 12 3880 1 1 23 ARG HG3 H -6.177 2.496 -3.229 1.00 . A A . 23 ARG HG3 1 1 12 3881 1 1 23 ARG HH11 H -10.186 2.636 -1.978 1.00 . A A . 23 ARG HH11 1 1 12 3882 1 1 23 ARG HH12 H -11.240 2.692 -0.604 1.00 . A A . 23 ARG HH12 1 1 12 3883 1 1 23 ARG HH21 H -8.948 1.201 1.576 1.00 . A A . 23 ARG HH21 1 1 12 3884 1 1 23 ARG HH22 H -10.534 1.875 1.417 1.00 . A A . 23 ARG HH22 1 1 12 3885 1 1 23 ARG N N -3.791 1.132 -3.868 1.00 . A A . 23 ARG N 1 1 12 3886 1 1 23 ARG NE N -8.249 1.554 -0.807 1.00 . A A . 23 ARG NE 1 1 12 3887 1 1 23 ARG NH1 N -10.359 2.450 -1.011 1.00 . A A . 23 ARG NH1 1 1 12 3888 1 1 23 ARG NH2 N -9.653 1.631 1.014 1.00 . A A . 23 ARG NH2 1 1 12 3889 1 1 23 ARG O O -7.057 1.079 -5.230 1.00 . A A . 23 ARG O 1 1 12 3890 1 1 24 ASP C C -6.446 3.476 -6.989 1.00 . A A . 24 ASP C 1 1 12 3891 1 1 24 ASP CA C -5.728 2.192 -7.393 1.00 . A A . 24 ASP CA 1 1 12 3892 1 1 24 ASP CB C -6.716 1.229 -8.054 1.00 . A A . 24 ASP CB 1 1 12 3893 1 1 24 ASP CG C -6.222 0.725 -9.396 1.00 . A A . 24 ASP CG 1 1 12 3894 1 1 24 ASP H H -4.125 1.510 -6.190 1.00 . A A . 24 ASP H 1 1 12 3895 1 1 24 ASP HA H -4.950 2.436 -8.099 1.00 . A A . 24 ASP HA 1 1 12 3896 1 1 24 ASP HB3 H -7.657 1.736 -8.205 1.00 . A A . 24 ASP HB3 1 1 12 3897 1 1 24 ASP N N -5.103 1.562 -6.236 1.00 . A A . 24 ASP N 1 1 12 3898 1 1 24 ASP O O -7.085 3.540 -5.940 1.00 . A A . 24 ASP O 1 1 12 3899 1 1 24 ASP OD1 O -5.727 1.548 -10.193 1.00 . A A . 24 ASP OD1 1 1 12 3900 1 1 24 ASP OD2 O -6.331 -0.493 -9.649 1.00 . A A . 24 ASP OD2 1 1 12 3901 1 1 25 GLY C C -6.075 6.711 -6.764 1.00 . A A . 25 GLY C 1 1 12 3902 1 1 25 GLY CA C -6.973 5.771 -7.543 1.00 . A A . 25 GLY CA 1 1 12 3903 1 1 25 GLY H H -5.810 4.393 -8.653 1.00 . A A . 25 GLY H 1 1 12 3904 1 1 25 GLY HA2 H -7.248 6.242 -8.475 1.00 . A A . 25 GLY HA2 1 1 12 3905 1 1 25 GLY HA3 H -7.869 5.587 -6.966 1.00 . A A . 25 GLY HA3 1 1 12 3906 1 1 25 GLY N N -6.333 4.501 -7.830 1.00 . A A . 25 GLY N 1 1 12 3907 1 1 25 GLY O O -5.849 7.849 -7.176 1.00 . A A . 25 GLY O 1 1 12 3908 1 1 26 LEU C C -3.866 6.160 -3.857 1.00 . A A . 26 LEU C 1 1 12 3909 1 1 26 LEU CA C -4.684 7.043 -4.794 1.00 . A A . 26 LEU CA 1 1 12 3910 1 1 26 LEU CB C -5.503 8.047 -3.982 1.00 . A A . 26 LEU CB 1 1 12 3911 1 1 26 LEU CD1 C -7.280 8.237 -2.224 1.00 . A A . 26 LEU CD1 1 1 12 3912 1 1 26 LEU CD2 C -7.924 7.876 -4.613 1.00 . A A . 26 LEU CD2 1 1 12 3913 1 1 26 LEU CG C -6.890 7.578 -3.538 1.00 . A A . 26 LEU CG 1 1 12 3914 1 1 26 LEU H H -5.779 5.321 -5.358 1.00 . A A . 26 LEU H 1 1 12 3915 1 1 26 LEU HA H -4.009 7.581 -5.443 1.00 . A A . 26 LEU HA 1 1 12 3916 1 1 26 LEU HB3 H -5.632 8.934 -4.587 1.00 . A A . 26 LEU HB3 1 1 12 3917 1 1 26 LEU HD11 H -7.962 9.051 -2.418 1.00 . A A . 26 LEU HD11 1 1 12 3918 1 1 26 LEU HD12 H -6.395 8.617 -1.735 1.00 . A A . 26 LEU HD12 1 1 12 3919 1 1 26 LEU HD13 H -7.759 7.509 -1.585 1.00 . A A . 26 LEU HD13 1 1 12 3920 1 1 26 LEU HD21 H -7.577 8.692 -5.230 1.00 . A A . 26 LEU HD21 1 1 12 3921 1 1 26 LEU HD22 H -8.859 8.150 -4.147 1.00 . A A . 26 LEU HD22 1 1 12 3922 1 1 26 LEU HD23 H -8.071 6.997 -5.225 1.00 . A A . 26 LEU HD23 1 1 12 3923 1 1 26 LEU HG H -6.868 6.509 -3.381 1.00 . A A . 26 LEU HG 1 1 12 3924 1 1 26 LEU N N -5.562 6.236 -5.635 1.00 . A A . 26 LEU N 1 1 12 3925 1 1 26 LEU O O -4.234 5.025 -3.555 1.00 . A A . 26 LEU O 1 1 12 3926 1 1 27 PRO C C -2.448 5.794 -1.084 1.00 . A A . 27 PRO C 1 1 12 3927 1 1 27 PRO CA C -1.838 5.973 -2.470 1.00 . A A . 27 PRO CA 1 1 12 3928 1 1 27 PRO CB C -0.602 6.872 -2.399 1.00 . A A . 27 PRO CB 1 1 12 3929 1 1 27 PRO CD C -2.230 8.041 -3.700 1.00 . A A . 27 PRO CD 1 1 12 3930 1 1 27 PRO CG C -1.107 8.237 -2.721 1.00 . A A . 27 PRO CG 1 1 12 3931 1 1 27 PRO HA H -1.559 5.008 -2.867 1.00 . A A . 27 PRO HA 1 1 12 3932 1 1 27 PRO HB3 H 0.131 6.542 -3.120 1.00 . A A . 27 PRO HB3 1 1 12 3933 1 1 27 PRO HD3 H -1.858 8.085 -4.714 1.00 . A A . 27 PRO HD3 1 1 12 3934 1 1 27 PRO HG3 H -0.318 8.824 -3.166 1.00 . A A . 27 PRO HG3 1 1 12 3935 1 1 27 PRO N N -2.730 6.694 -3.382 1.00 . A A . 27 PRO N 1 1 12 3936 1 1 27 PRO O O -1.731 5.618 -0.098 1.00 . A A . 27 PRO O 1 1 13 3937 1 1 1 SER C C -4.741 4.637 0.900 1.00 . A A . 1 SER C 1 1 13 3938 1 1 1 SER CA C -4.674 5.806 -0.079 1.00 . A A . 1 SER CA 1 1 13 3939 1 1 1 SER CB C -6.085 6.191 -0.528 1.00 . A A . 1 SER CB 1 1 13 3940 1 1 1 SER H1 H -4.251 4.986 -1.984 1.00 . A A . 1 SER H1 1 1 13 3941 1 1 1 SER HA H -4.220 6.650 0.419 1.00 . A A . 1 SER HA 1 1 13 3942 1 1 1 SER HB3 H -6.037 6.635 -1.512 1.00 . A A . 1 SER HB3 1 1 13 3943 1 1 1 SER HG H -7.518 5.060 0.182 1.00 . A A . 1 SER HG 1 1 13 3944 1 1 1 SER N N -3.849 5.470 -1.234 1.00 . A A . 1 SER N 1 1 13 3945 1 1 1 SER O O -5.694 4.509 1.668 1.00 . A A . 1 SER O 1 1 13 3946 1 1 1 SER OG O -6.931 5.056 -0.579 1.00 . A A . 1 SER OG 1 1 13 3947 1 1 2 CYS C C -2.477 2.727 2.700 1.00 . A A . 2 CYS C 1 1 13 3948 1 1 2 CYS CA C -3.663 2.626 1.746 1.00 . A A . 2 CYS CA 1 1 13 3949 1 1 2 CYS CB C -3.561 1.339 0.924 1.00 . A A . 2 CYS CB 1 1 13 3950 1 1 2 CYS H H -2.990 3.940 0.229 1.00 . A A . 2 CYS H 1 1 13 3951 1 1 2 CYS HA H -4.574 2.601 2.324 1.00 . A A . 2 CYS HA 1 1 13 3952 1 1 2 CYS HB3 H -2.920 0.640 1.441 1.00 . A A . 2 CYS HB3 1 1 13 3953 1 1 2 CYS N N -3.721 3.785 0.865 1.00 . A A . 2 CYS N 1 1 13 3954 1 1 2 CYS O O -1.322 2.682 2.279 1.00 . A A . 2 CYS O 1 1 13 3955 1 1 2 CYS SG S -5.159 0.515 0.631 1.00 . A A . 2 CYS SG 1 1 13 3956 1 1 3 GLY C C -0.958 1.672 5.163 1.00 . A A . 3 GLY C 1 1 13 3957 1 1 3 GLY CA C -1.720 2.970 4.984 1.00 . A A . 3 GLY CA 1 1 13 3958 1 1 3 GLY H H -3.711 2.894 4.267 1.00 . A A . 3 GLY H 1 1 13 3959 1 1 3 GLY HA2 H -1.029 3.743 4.680 1.00 . A A . 3 GLY HA2 1 1 13 3960 1 1 3 GLY HA3 H -2.162 3.248 5.930 1.00 . A A . 3 GLY HA3 1 1 13 3961 1 1 3 GLY N N -2.772 2.865 3.989 1.00 . A A . 3 GLY N 1 1 13 3962 1 1 3 GLY O O -0.679 0.971 4.192 1.00 . A A . 3 GLY O 1 1 13 3963 1 1 4 GLY C C 1.512 0.148 6.099 1.00 . A A . 4 GLY C 1 1 13 3964 1 1 4 GLY CA C 0.115 0.134 6.688 1.00 . A A . 4 GLY CA 1 1 13 3965 1 1 4 GLY H H -0.869 1.953 7.143 1.00 . A A . 4 GLY H 1 1 13 3966 1 1 4 GLY HA2 H 0.187 0.007 7.758 1.00 . A A . 4 GLY HA2 1 1 13 3967 1 1 4 GLY HA3 H -0.430 -0.703 6.273 1.00 . A A . 4 GLY HA3 1 1 13 3968 1 1 4 GLY N N -0.619 1.354 6.408 1.00 . A A . 4 GLY N 1 1 13 3969 1 1 4 GLY O O 1.755 0.791 5.079 1.00 . A A . 4 GLY O 1 1 13 3970 1 1 5 SER C C 4.064 -1.903 5.490 1.00 . A A . 5 SER C 1 1 13 3971 1 1 5 SER CA C 3.813 -0.624 6.281 1.00 . A A . 5 SER CA 1 1 13 3972 1 1 5 SER CB C 4.774 -0.549 7.468 1.00 . A A . 5 SER CB 1 1 13 3973 1 1 5 SER H H 2.175 -1.054 7.553 1.00 . A A . 5 SER H 1 1 13 3974 1 1 5 SER HA H 3.984 0.225 5.636 1.00 . A A . 5 SER HA 1 1 13 3975 1 1 5 SER HB3 H 5.217 0.436 7.508 1.00 . A A . 5 SER HB3 1 1 13 3976 1 1 5 SER HG H 3.751 -1.690 8.689 1.00 . A A . 5 SER HG 1 1 13 3977 1 1 5 SER N N 2.431 -0.562 6.744 1.00 . A A . 5 SER N 1 1 13 3978 1 1 5 SER O O 3.419 -2.927 5.720 1.00 . A A . 5 SER O 1 1 13 3979 1 1 5 SER OG O 4.098 -0.794 8.689 1.00 . A A . 5 SER OG 1 1 13 3980 1 1 6 CYS C C 6.192 -3.989 4.505 1.00 . A A . 6 CYS C 1 1 13 3981 1 1 6 CYS CA C 5.343 -2.989 3.726 1.00 . A A . 6 CYS CA 1 1 13 3982 1 1 6 CYS CB C 6.092 -2.538 2.470 1.00 . A A . 6 CYS CB 1 1 13 3983 1 1 6 CYS H H 5.485 -0.994 4.417 1.00 . A A . 6 CYS H 1 1 13 3984 1 1 6 CYS HA H 4.422 -3.469 3.433 1.00 . A A . 6 CYS HA 1 1 13 3985 1 1 6 CYS HB3 H 6.778 -3.316 2.171 1.00 . A A . 6 CYS HB3 1 1 13 3986 1 1 6 CYS N N 5.005 -1.838 4.553 1.00 . A A . 6 CYS N 1 1 13 3987 1 1 6 CYS O O 6.233 -5.175 4.175 1.00 . A A . 6 CYS O 1 1 13 3988 1 1 6 CYS SG S 5.009 -2.176 1.050 1.00 . A A . 6 CYS SG 1 1 13 3989 1 1 7 PHE C C 6.874 -5.209 7.311 1.00 . A A . 7 PHE C 1 1 13 3990 1 1 7 PHE CA C 7.715 -4.354 6.368 1.00 . A A . 7 PHE CA 1 1 13 3991 1 1 7 PHE CB C 8.697 -3.501 7.174 1.00 . A A . 7 PHE CB 1 1 13 3992 1 1 7 PHE CD1 C 10.991 -4.506 7.004 1.00 . A A . 7 PHE CD1 1 1 13 3993 1 1 7 PHE CD2 C 9.771 -4.804 9.030 1.00 . A A . 7 PHE CD2 1 1 13 3994 1 1 7 PHE CE1 C 12.046 -5.228 7.528 1.00 . A A . 7 PHE CE1 1 1 13 3995 1 1 7 PHE CE2 C 10.823 -5.526 9.561 1.00 . A A . 7 PHE CE2 1 1 13 3996 1 1 7 PHE CG C 9.842 -4.286 7.748 1.00 . A A . 7 PHE CG 1 1 13 3997 1 1 7 PHE CZ C 11.962 -5.740 8.807 1.00 . A A . 7 PHE CZ 1 1 13 3998 1 1 7 PHE H H 6.793 -2.549 5.754 1.00 . A A . 7 PHE H 1 1 13 3999 1 1 7 PHE HA H 8.272 -5.005 5.711 1.00 . A A . 7 PHE HA 1 1 13 4000 1 1 7 PHE HB3 H 8.170 -3.035 7.993 1.00 . A A . 7 PHE HB3 1 1 13 4001 1 1 7 PHE HD1 H 11.057 -4.107 6.001 1.00 . A A . 7 PHE HD1 1 1 13 4002 1 1 7 PHE HD2 H 8.881 -4.640 9.621 1.00 . A A . 7 PHE HD2 1 1 13 4003 1 1 7 PHE HE1 H 12.934 -5.393 6.937 1.00 . A A . 7 PHE HE1 1 1 13 4004 1 1 7 PHE HE2 H 10.756 -5.925 10.561 1.00 . A A . 7 PHE HE2 1 1 13 4005 1 1 7 PHE HZ H 12.786 -6.303 9.219 1.00 . A A . 7 PHE HZ 1 1 13 4006 1 1 7 PHE N N 6.867 -3.503 5.542 1.00 . A A . 7 PHE N 1 1 13 4007 1 1 7 PHE O O 7.352 -6.200 7.861 1.00 . A A . 7 PHE O 1 1 13 4008 1 1 8 GLY C C 3.373 -5.811 7.742 1.00 . A A . 8 GLY C 1 1 13 4009 1 1 8 GLY CA C 4.728 -5.557 8.371 1.00 . A A . 8 GLY CA 1 1 13 4010 1 1 8 GLY H H 5.290 -4.018 7.029 1.00 . A A . 8 GLY H 1 1 13 4011 1 1 8 GLY HA2 H 5.186 -6.505 8.612 1.00 . A A . 8 GLY HA2 1 1 13 4012 1 1 8 GLY HA3 H 4.589 -4.993 9.282 1.00 . A A . 8 GLY HA3 1 1 13 4013 1 1 8 GLY N N 5.617 -4.816 7.494 1.00 . A A . 8 GLY N 1 1 13 4014 1 1 8 GLY O O 2.389 -6.044 8.444 1.00 . A A . 8 GLY O 1 1 13 4015 1 1 9 GLY C C 1.288 -4.714 5.490 1.00 . A A . 9 GLY C 1 1 13 4016 1 1 9 GLY CA C 2.069 -5.994 5.714 1.00 . A A . 9 GLY CA 1 1 13 4017 1 1 9 GLY H H 4.136 -5.576 5.906 1.00 . A A . 9 GLY H 1 1 13 4018 1 1 9 GLY HA2 H 2.283 -6.445 4.756 1.00 . A A . 9 GLY HA2 1 1 13 4019 1 1 9 GLY HA3 H 1.464 -6.674 6.294 1.00 . A A . 9 GLY HA3 1 1 13 4020 1 1 9 GLY N N 3.320 -5.765 6.414 1.00 . A A . 9 GLY N 1 1 13 4021 1 1 9 GLY O O 1.120 -3.912 6.409 1.00 . A A . 9 GLY O 1 1 13 4022 1 1 10 CYS C C -1.310 -3.333 4.619 1.00 . A A . 10 CYS C 1 1 13 4023 1 1 10 CYS CA C 0.047 -3.328 3.922 1.00 . A A . 10 CYS CA 1 1 13 4024 1 1 10 CYS CB C -0.147 -3.239 2.406 1.00 . A A . 10 CYS CB 1 1 13 4025 1 1 10 CYS H H 0.980 -5.195 3.574 1.00 . A A . 10 CYS H 1 1 13 4026 1 1 10 CYS HA H 0.606 -2.466 4.255 1.00 . A A . 10 CYS HA 1 1 13 4027 1 1 10 CYS HB3 H -1.088 -2.753 2.200 1.00 . A A . 10 CYS HB3 1 1 13 4028 1 1 10 CYS N N 0.812 -4.520 4.265 1.00 . A A . 10 CYS N 1 1 13 4029 1 1 10 CYS O O -1.688 -4.315 5.258 1.00 . A A . 10 CYS O 1 1 13 4030 1 1 10 CYS SG S 1.161 -2.311 1.542 1.00 . A A . 10 CYS SG 1 1 13 4031 1 1 11 TRP C C -4.258 -3.266 4.701 1.00 . A A . 11 TRP C 1 1 13 4032 1 1 11 TRP CA C -3.355 -2.107 5.109 1.00 . A A . 11 TRP CA 1 1 13 4033 1 1 11 TRP CB C -4.002 -0.777 4.719 1.00 . A A . 11 TRP CB 1 1 13 4034 1 1 11 TRP CD1 C -3.433 0.332 6.957 1.00 . A A . 11 TRP CD1 1 1 13 4035 1 1 11 TRP CD2 C -5.413 0.940 6.105 1.00 . A A . 11 TRP CD2 1 1 13 4036 1 1 11 TRP CE2 C -5.223 1.617 7.325 1.00 . A A . 11 TRP CE2 1 1 13 4037 1 1 11 TRP CE3 C -6.589 1.168 5.385 1.00 . A A . 11 TRP CE3 1 1 13 4038 1 1 11 TRP CG C -4.256 0.125 5.887 1.00 . A A . 11 TRP CG 1 1 13 4039 1 1 11 TRP CH2 C -7.309 2.705 7.116 1.00 . A A . 11 TRP CH2 1 1 13 4040 1 1 11 TRP CZ2 C -6.166 2.501 7.841 1.00 . A A . 11 TRP CZ2 1 1 13 4041 1 1 11 TRP CZ3 C -7.525 2.046 5.899 1.00 . A A . 11 TRP CZ3 1 1 13 4042 1 1 11 TRP H H -1.685 -1.481 3.969 1.00 . A A . 11 TRP H 1 1 13 4043 1 1 11 TRP HA H -3.220 -2.131 6.180 1.00 . A A . 11 TRP HA 1 1 13 4044 1 1 11 TRP HB3 H -4.949 -0.974 4.236 1.00 . A A . 11 TRP HB3 1 1 13 4045 1 1 11 TRP HD1 H -2.475 -0.146 7.088 1.00 . A A . 11 TRP HD1 1 1 13 4046 1 1 11 TRP HE1 H -3.612 1.538 8.668 1.00 . A A . 11 TRP HE1 1 1 13 4047 1 1 11 TRP HE3 H -6.774 0.670 4.444 1.00 . A A . 11 TRP HE3 1 1 13 4048 1 1 11 TRP HH2 H -8.067 3.381 7.479 1.00 . A A . 11 TRP HH2 1 1 13 4049 1 1 11 TRP HZ2 H -6.014 3.017 8.778 1.00 . A A . 11 TRP HZ2 1 1 13 4050 1 1 11 TRP HZ3 H -8.441 2.234 5.358 1.00 . A A . 11 TRP HZ3 1 1 13 4051 1 1 11 TRP N N -2.039 -2.229 4.491 1.00 . A A . 11 TRP N 1 1 13 4052 1 1 11 TRP NE1 N -4.008 1.228 7.827 1.00 . A A . 11 TRP NE1 1 1 13 4053 1 1 11 TRP O O -3.960 -4.040 3.774 1.00 . A A . 11 TRP O 1 1 13 4054 1 1 12 HYP C C -7.085 -4.313 3.815 1.00 . A A . 12 HYP C 1 1 13 4055 1 1 12 HYP CA C -6.367 -4.475 5.145 1.00 . A A . 12 HYP CA 1 1 13 4056 1 1 12 HYP CB C -7.359 -4.348 6.315 1.00 . A A . 12 HYP CB 1 1 13 4057 1 1 12 HYP CD C -5.833 -2.549 6.502 1.00 . A A . 12 HYP CD 1 1 13 4058 1 1 12 HYP CG C -6.652 -3.502 7.309 1.00 . A A . 12 HYP CG 1 1 13 4059 1 1 12 HYP HA H -5.895 -5.446 5.178 1.00 . A A . 12 HYP HA 1 1 13 4060 1 1 12 HYP HB2 H -7.576 -5.328 6.716 1.00 . A A . 12 HYP HB2 1 1 13 4061 1 1 12 HYP HB3 H -8.271 -3.879 5.975 1.00 . A A . 12 HYP HB3 1 1 13 4062 1 1 12 HYP HD1 H -5.576 -5.236 7.583 1.00 . A A . 12 HYP HD1 1 1 13 4063 1 1 12 HYP HD22 H -6.743 -1.814 6.302 1.00 . A A . 12 HYP HD22 1 1 13 4064 1 1 12 HYP HD23 H -5.257 -2.171 7.215 1.00 . A A . 12 HYP HD23 1 1 13 4065 1 1 12 HYP HG H -7.526 -3.261 8.019 1.00 . A A . 12 HYP HG 1 1 13 4066 1 1 12 HYP N N -5.397 -3.405 5.400 1.00 . A A . 12 HYP N 1 1 13 4067 1 1 12 HYP O O -7.808 -3.344 3.589 1.00 . A A . 12 HYP O 1 1 13 4068 1 1 12 HYP OD1 O -5.822 -4.455 8.103 1.00 . A A . 12 HYP OD1 1 1 13 4069 1 1 13 GLY C C -6.624 -4.560 0.582 1.00 . A A . 13 GLY C 1 1 13 4070 1 1 13 GLY CA C -7.496 -5.237 1.620 1.00 . A A . 13 GLY CA 1 1 13 4071 1 1 13 GLY H H -6.283 -6.028 3.165 1.00 . A A . 13 GLY H 1 1 13 4072 1 1 13 GLY HA2 H -7.702 -6.248 1.298 1.00 . A A . 13 GLY HA2 1 1 13 4073 1 1 13 GLY HA3 H -8.429 -4.698 1.697 1.00 . A A . 13 GLY HA3 1 1 13 4074 1 1 13 GLY N N -6.871 -5.280 2.929 1.00 . A A . 13 GLY N 1 1 13 4075 1 1 13 GLY O O -7.062 -4.313 -0.542 1.00 . A A . 13 GLY O 1 1 13 4076 1 1 14 CYS C C -3.310 -4.545 -0.326 1.00 . A A . 14 CYS C 1 1 13 4077 1 1 14 CYS CA C -4.449 -3.603 0.053 1.00 . A A . 14 CYS CA 1 1 13 4078 1 1 14 CYS CB C -3.885 -2.336 0.699 1.00 . A A . 14 CYS CB 1 1 13 4079 1 1 14 CYS H H -5.095 -4.480 1.868 1.00 . A A . 14 CYS H 1 1 13 4080 1 1 14 CYS HA H -4.988 -3.330 -0.841 1.00 . A A . 14 CYS HA 1 1 13 4081 1 1 14 CYS HB3 H -3.382 -1.749 -0.056 1.00 . A A . 14 CYS HB3 1 1 13 4082 1 1 14 CYS N N -5.386 -4.258 0.959 1.00 . A A . 14 CYS N 1 1 13 4083 1 1 14 CYS O O -3.367 -5.744 -0.054 1.00 . A A . 14 CYS O 1 1 13 4084 1 1 14 CYS SG S -5.143 -1.276 1.481 1.00 . A A . 14 CYS SG 1 1 13 4085 1 1 15 SER C C 0.149 -3.947 -1.338 1.00 . A A . 15 SER C 1 1 13 4086 1 1 15 SER CA C -1.127 -4.783 -1.375 1.00 . A A . 15 SER CA 1 1 13 4087 1 1 15 SER CB C -1.347 -5.336 -2.784 1.00 . A A . 15 SER CB 1 1 13 4088 1 1 15 SER H H -2.291 -3.031 -1.143 1.00 . A A . 15 SER H 1 1 13 4089 1 1 15 SER HA H -1.022 -5.609 -0.686 1.00 . A A . 15 SER HA 1 1 13 4090 1 1 15 SER HB3 H -0.987 -6.354 -2.829 1.00 . A A . 15 SER HB3 1 1 13 4091 1 1 15 SER HG H -3.110 -6.178 -2.935 1.00 . A A . 15 SER HG 1 1 13 4092 1 1 15 SER N N -2.277 -3.993 -0.955 1.00 . A A . 15 SER N 1 1 13 4093 1 1 15 SER O O 0.101 -2.718 -1.368 1.00 . A A . 15 SER O 1 1 13 4094 1 1 15 SER OG O -2.722 -5.321 -3.128 1.00 . A A . 15 SER OG 1 1 13 4095 1 1 16 CYS C C 3.245 -3.956 -2.605 1.00 . A A . 16 CYS C 1 1 13 4096 1 1 16 CYS CA C 2.581 -3.947 -1.230 1.00 . A A . 16 CYS CA 1 1 13 4097 1 1 16 CYS CB C 3.498 -4.615 -0.204 1.00 . A A . 16 CYS CB 1 1 13 4098 1 1 16 CYS H H 1.265 -5.605 -1.251 1.00 . A A . 16 CYS H 1 1 13 4099 1 1 16 CYS HA H 2.409 -2.923 -0.935 1.00 . A A . 16 CYS HA 1 1 13 4100 1 1 16 CYS HB3 H 3.650 -5.646 -0.486 1.00 . A A . 16 CYS HB3 1 1 13 4101 1 1 16 CYS N N 1.291 -4.624 -1.273 1.00 . A A . 16 CYS N 1 1 13 4102 1 1 16 CYS O O 3.640 -5.008 -3.108 1.00 . A A . 16 CYS O 1 1 13 4103 1 1 16 CYS SG S 5.137 -3.835 -0.053 1.00 . A A . 16 CYS SG 1 1 13 4104 1 1 17 TYR C C 4.921 -1.452 -4.569 1.00 . A A . 17 TYR C 1 1 13 4105 1 1 17 TYR CA C 3.977 -2.650 -4.522 1.00 . A A . 17 TYR CA 1 1 13 4106 1 1 17 TYR CB C 2.900 -2.507 -5.599 1.00 . A A . 17 TYR CB 1 1 13 4107 1 1 17 TYR CD1 C 4.445 -3.210 -7.469 1.00 . A A . 17 TYR CD1 1 1 13 4108 1 1 17 TYR CD2 C 2.995 -1.356 -7.844 1.00 . A A . 17 TYR CD2 1 1 13 4109 1 1 17 TYR CE1 C 4.956 -3.074 -8.745 1.00 . A A . 17 TYR CE1 1 1 13 4110 1 1 17 TYR CE2 C 3.499 -1.213 -9.122 1.00 . A A . 17 TYR CE2 1 1 13 4111 1 1 17 TYR CG C 3.457 -2.355 -6.997 1.00 . A A . 17 TYR CG 1 1 13 4112 1 1 17 TYR CZ C 4.481 -2.074 -9.568 1.00 . A A . 17 TYR CZ 1 1 13 4113 1 1 17 TYR H H 3.030 -1.975 -2.755 1.00 . A A . 17 TYR H 1 1 13 4114 1 1 17 TYR HA H 4.546 -3.549 -4.712 1.00 . A A . 17 TYR HA 1 1 13 4115 1 1 17 TYR HB3 H 2.299 -1.636 -5.384 1.00 . A A . 17 TYR HB3 1 1 13 4116 1 1 17 TYR HD1 H 4.815 -3.993 -6.822 1.00 . A A . 17 TYR HD1 1 1 13 4117 1 1 17 TYR HD2 H 2.226 -0.683 -7.492 1.00 . A A . 17 TYR HD2 1 1 13 4118 1 1 17 TYR HE1 H 5.725 -3.749 -9.094 1.00 . A A . 17 TYR HE1 1 1 13 4119 1 1 17 TYR HE2 H 3.127 -0.431 -9.767 1.00 . A A . 17 TYR HE2 1 1 13 4120 1 1 17 TYR HH H 4.569 -1.187 -11.270 1.00 . A A . 17 TYR HH 1 1 13 4121 1 1 17 TYR N N 3.364 -2.778 -3.206 1.00 . A A . 17 TYR N 1 1 13 4122 1 1 17 TYR O O 4.553 -0.343 -4.183 1.00 . A A . 17 TYR O 1 1 13 4123 1 1 17 TYR OH O 4.987 -1.937 -10.840 1.00 . A A . 17 TYR OH 1 1 13 4124 1 1 18 ALA C C 7.532 -0.111 -3.769 1.00 . A A . 18 ALA C 1 1 13 4125 1 1 18 ALA CA C 7.135 -0.626 -5.149 1.00 . A A . 18 ALA CA 1 1 13 4126 1 1 18 ALA CB C 6.607 0.515 -6.006 1.00 . A A . 18 ALA CB 1 1 13 4127 1 1 18 ALA H H 6.372 -2.589 -5.341 1.00 . A A . 18 ALA H 1 1 13 4128 1 1 18 ALA HA H 8.009 -1.034 -5.634 1.00 . A A . 18 ALA HA 1 1 13 4129 1 1 18 ALA HB1 H 7.439 1.080 -6.404 1.00 . A A . 18 ALA HB1 1 1 13 4130 1 1 18 ALA HB2 H 6.024 0.112 -6.821 1.00 . A A . 18 ALA HB2 1 1 13 4131 1 1 18 ALA HB3 H 5.988 1.162 -5.404 1.00 . A A . 18 ALA HB3 1 1 13 4132 1 1 18 ALA N N 6.138 -1.684 -5.048 1.00 . A A . 18 ALA N 1 1 13 4133 1 1 18 ALA O O 7.630 1.096 -3.551 1.00 . A A . 18 ALA O 1 1 13 4134 1 1 19 ARG C C 7.128 0.282 -0.865 1.00 . A A . 19 ARG C 1 1 13 4135 1 1 19 ARG CA C 8.144 -0.676 -1.482 1.00 . A A . 19 ARG CA 1 1 13 4136 1 1 19 ARG CB C 9.533 -0.036 -1.475 1.00 . A A . 19 ARG CB 1 1 13 4137 1 1 19 ARG CD C 11.989 -0.502 -1.734 1.00 . A A . 19 ARG CD 1 1 13 4138 1 1 19 ARG CG C 10.587 -0.857 -2.200 1.00 . A A . 19 ARG CG 1 1 13 4139 1 1 19 ARG CZ C 13.680 -1.341 -0.158 1.00 . A A . 19 ARG CZ 1 1 13 4140 1 1 19 ARG H H 7.665 -1.982 -3.076 1.00 . A A . 19 ARG H 1 1 13 4141 1 1 19 ARG HA H 8.171 -1.581 -0.895 1.00 . A A . 19 ARG HA 1 1 13 4142 1 1 19 ARG HB3 H 9.850 0.094 -0.452 1.00 . A A . 19 ARG HB3 1 1 13 4143 1 1 19 ARG HD3 H 11.981 0.506 -1.345 1.00 . A A . 19 ARG HD3 1 1 13 4144 1 1 19 ARG HE H 11.848 -2.100 -0.376 1.00 . A A . 19 ARG HE 1 1 13 4145 1 1 19 ARG HG3 H 10.509 -0.667 -3.261 1.00 . A A . 19 ARG HG3 1 1 13 4146 1 1 19 ARG HH11 H 14.267 0.235 -1.276 1.00 . A A . 19 ARG HH11 1 1 13 4147 1 1 19 ARG HH12 H 15.450 -0.366 -0.162 1.00 . A A . 19 ARG HH12 1 1 13 4148 1 1 19 ARG HH21 H 13.396 -2.901 1.096 1.00 . A A . 19 ARG HH21 1 1 13 4149 1 1 19 ARG HH22 H 14.954 -2.150 1.187 1.00 . A A . 19 ARG HH22 1 1 13 4150 1 1 19 ARG N N 7.759 -1.035 -2.841 1.00 . A A . 19 ARG N 1 1 13 4151 1 1 19 ARG NE N 12.465 -1.409 -0.692 1.00 . A A . 19 ARG NE 1 1 13 4152 1 1 19 ARG NH1 N 14.536 -0.415 -0.566 1.00 . A A . 19 ARG NH1 1 1 13 4153 1 1 19 ARG NH2 N 14.040 -2.201 0.786 1.00 . A A . 19 ARG NH2 1 1 13 4154 1 1 19 ARG O O 7.438 1.013 0.076 1.00 . A A . 19 ARG O 1 1 13 4155 1 1 20 THR C C 3.480 0.509 -1.121 1.00 . A A . 20 THR C 1 1 13 4156 1 1 20 THR CA C 4.851 1.140 -0.906 1.00 . A A . 20 THR CA 1 1 13 4157 1 1 20 THR CB C 4.883 2.517 -1.595 1.00 . A A . 20 THR CB 1 1 13 4158 1 1 20 THR CG2 C 4.248 3.579 -0.711 1.00 . A A . 20 THR CG2 1 1 13 4159 1 1 20 THR H H 5.725 -0.333 -2.150 1.00 . A A . 20 THR H 1 1 13 4160 1 1 20 THR HA H 5.007 1.286 0.153 1.00 . A A . 20 THR HA 1 1 13 4161 1 1 20 THR HB H 4.322 2.454 -2.517 1.00 . A A . 20 THR HB 1 1 13 4162 1 1 20 THR HG1 H 6.250 3.763 -2.279 1.00 . A A . 20 THR HG1 1 1 13 4163 1 1 20 THR HG21 H 4.563 4.557 -1.042 1.00 . A A . 20 THR HG21 1 1 13 4164 1 1 20 THR HG22 H 4.560 3.429 0.312 1.00 . A A . 20 THR HG22 1 1 13 4165 1 1 20 THR HG23 H 3.173 3.506 -0.775 1.00 . A A . 20 THR HG23 1 1 13 4166 1 1 20 THR N N 5.911 0.272 -1.402 1.00 . A A . 20 THR N 1 1 13 4167 1 1 20 THR O O 3.335 -0.442 -1.889 1.00 . A A . 20 THR O 1 1 13 4168 1 1 20 THR OG1 O 6.234 2.883 -1.895 1.00 . A A . 20 THR OG1 1 1 13 4169 1 1 21 CYS C C 0.333 1.303 -1.615 1.00 . A A . 21 CYS C 1 1 13 4170 1 1 21 CYS CA C 1.113 0.535 -0.553 1.00 . A A . 21 CYS CA 1 1 13 4171 1 1 21 CYS CB C 0.393 0.632 0.794 1.00 . A A . 21 CYS CB 1 1 13 4172 1 1 21 CYS H H 2.651 1.802 0.161 1.00 . A A . 21 CYS H 1 1 13 4173 1 1 21 CYS HA H 1.171 -0.502 -0.845 1.00 . A A . 21 CYS HA 1 1 13 4174 1 1 21 CYS HB3 H -0.634 0.326 0.667 1.00 . A A . 21 CYS HB3 1 1 13 4175 1 1 21 CYS N N 2.473 1.044 -0.437 1.00 . A A . 21 CYS N 1 1 13 4176 1 1 21 CYS O O 0.554 2.496 -1.823 1.00 . A A . 21 CYS O 1 1 13 4177 1 1 21 CYS SG S 1.123 -0.402 2.104 1.00 . A A . 21 CYS SG 1 1 13 4178 1 1 22 PHE C C -2.675 0.427 -3.562 1.00 . A A . 22 PHE C 1 1 13 4179 1 1 22 PHE CA C -1.395 1.225 -3.328 1.00 . A A . 22 PHE CA 1 1 13 4180 1 1 22 PHE CB C -0.599 1.328 -4.632 1.00 . A A . 22 PHE CB 1 1 13 4181 1 1 22 PHE CD1 C -0.278 3.795 -4.959 1.00 . A A . 22 PHE CD1 1 1 13 4182 1 1 22 PHE CD2 C -1.640 2.613 -6.518 1.00 . A A . 22 PHE CD2 1 1 13 4183 1 1 22 PHE CE1 C -0.502 4.970 -5.649 1.00 . A A . 22 PHE CE1 1 1 13 4184 1 1 22 PHE CE2 C -1.868 3.786 -7.214 1.00 . A A . 22 PHE CE2 1 1 13 4185 1 1 22 PHE CG C -0.845 2.604 -5.384 1.00 . A A . 22 PHE CG 1 1 13 4186 1 1 22 PHE CZ C -1.297 4.966 -6.779 1.00 . A A . 22 PHE CZ 1 1 13 4187 1 1 22 PHE H H -0.712 -0.339 -2.076 1.00 . A A . 22 PHE H 1 1 13 4188 1 1 22 PHE HA H -1.659 2.218 -2.999 1.00 . A A . 22 PHE HA 1 1 13 4189 1 1 22 PHE HB3 H -0.869 0.504 -5.275 1.00 . A A . 22 PHE HB3 1 1 13 4190 1 1 22 PHE HD1 H 0.345 3.799 -4.077 1.00 . A A . 22 PHE HD1 1 1 13 4191 1 1 22 PHE HD2 H -2.088 1.690 -6.860 1.00 . A A . 22 PHE HD2 1 1 13 4192 1 1 22 PHE HE1 H -0.054 5.891 -5.308 1.00 . A A . 22 PHE HE1 1 1 13 4193 1 1 22 PHE HE2 H -2.490 3.779 -8.096 1.00 . A A . 22 PHE HE2 1 1 13 4194 1 1 22 PHE HZ H -1.474 5.883 -7.320 1.00 . A A . 22 PHE HZ 1 1 13 4195 1 1 22 PHE N N -0.582 0.609 -2.286 1.00 . A A . 22 PHE N 1 1 13 4196 1 1 22 PHE O O -2.673 -0.801 -3.499 1.00 . A A . 22 PHE O 1 1 13 4197 1 1 23 ARG C C -5.669 0.989 -5.379 1.00 . A A . 23 ARG C 1 1 13 4198 1 1 23 ARG CA C -5.054 0.497 -4.073 1.00 . A A . 23 ARG CA 1 1 13 4199 1 1 23 ARG CB C -6.009 0.772 -2.911 1.00 . A A . 23 ARG CB 1 1 13 4200 1 1 23 ARG CD C -7.420 2.746 -2.260 1.00 . A A . 23 ARG CD 1 1 13 4201 1 1 23 ARG CG C -6.007 2.219 -2.449 1.00 . A A . 23 ARG CG 1 1 13 4202 1 1 23 ARG CZ C -9.191 2.642 -0.556 1.00 . A A . 23 ARG CZ 1 1 13 4203 1 1 23 ARG H H -3.703 2.114 -3.869 1.00 . A A . 23 ARG H 1 1 13 4204 1 1 23 ARG HA H -4.886 -0.568 -4.146 1.00 . A A . 23 ARG HA 1 1 13 4205 1 1 23 ARG HB3 H -5.728 0.150 -2.074 1.00 . A A . 23 ARG HB3 1 1 13 4206 1 1 23 ARG HD3 H -8.073 2.250 -2.963 1.00 . A A . 23 ARG HD3 1 1 13 4207 1 1 23 ARG HE H -7.265 2.238 -0.225 1.00 . A A . 23 ARG HE 1 1 13 4208 1 1 23 ARG HG3 H -5.503 2.822 -3.191 1.00 . A A . 23 ARG HG3 1 1 13 4209 1 1 23 ARG HH11 H -9.816 3.182 -2.399 1.00 . A A . 23 ARG HH11 1 1 13 4210 1 1 23 ARG HH12 H -11.053 3.105 -1.189 1.00 . A A . 23 ARG HH12 1 1 13 4211 1 1 23 ARG HH21 H -8.885 2.133 1.377 1.00 . A A . 23 ARG HH21 1 1 13 4212 1 1 23 ARG HH22 H -10.522 2.508 0.958 1.00 . A A . 23 ARG HH22 1 1 13 4213 1 1 23 ARG N N -3.766 1.137 -3.832 1.00 . A A . 23 ARG N 1 1 13 4214 1 1 23 ARG NE N -7.915 2.509 -0.906 1.00 . A A . 23 ARG NE 1 1 13 4215 1 1 23 ARG NH1 N -10.094 3.007 -1.455 1.00 . A A . 23 ARG NH1 1 1 13 4216 1 1 23 ARG NH2 N -9.563 2.408 0.696 1.00 . A A . 23 ARG NH2 1 1 13 4217 1 1 23 ARG O O -6.888 0.964 -5.551 1.00 . A A . 23 ARG O 1 1 13 4218 1 1 24 ASP C C -6.086 3.218 -7.419 1.00 . A A . 24 ASP C 1 1 13 4219 1 1 24 ASP CA C -5.279 1.934 -7.587 1.00 . A A . 24 ASP CA 1 1 13 4220 1 1 24 ASP CB C -6.125 0.875 -8.294 1.00 . A A . 24 ASP CB 1 1 13 4221 1 1 24 ASP CG C -5.414 0.269 -9.489 1.00 . A A . 24 ASP CG 1 1 13 4222 1 1 24 ASP H H -3.858 1.432 -6.101 1.00 . A A . 24 ASP H 1 1 13 4223 1 1 24 ASP HA H -4.409 2.147 -8.190 1.00 . A A . 24 ASP HA 1 1 13 4224 1 1 24 ASP HB3 H -7.044 1.327 -8.636 1.00 . A A . 24 ASP HB3 1 1 13 4225 1 1 24 ASP N N -4.819 1.436 -6.296 1.00 . A A . 24 ASP N 1 1 13 4226 1 1 24 ASP O O -6.950 3.310 -6.550 1.00 . A A . 24 ASP O 1 1 13 4227 1 1 24 ASP OD1 O -5.485 0.864 -10.585 1.00 . A A . 24 ASP OD1 1 1 13 4228 1 1 24 ASP OD2 O -4.789 -0.801 -9.329 1.00 . A A . 24 ASP OD2 1 1 13 4229 1 1 25 GLY C C -5.821 6.464 -7.257 1.00 . A A . 25 GLY C 1 1 13 4230 1 1 25 GLY CA C -6.500 5.475 -8.184 1.00 . A A . 25 GLY CA 1 1 13 4231 1 1 25 GLY H H -5.094 4.078 -8.930 1.00 . A A . 25 GLY H 1 1 13 4232 1 1 25 GLY HA2 H -6.555 5.902 -9.174 1.00 . A A . 25 GLY HA2 1 1 13 4233 1 1 25 GLY HA3 H -7.503 5.294 -7.824 1.00 . A A . 25 GLY HA3 1 1 13 4234 1 1 25 GLY N N -5.794 4.209 -8.257 1.00 . A A . 25 GLY N 1 1 13 4235 1 1 25 GLY O O -5.569 7.608 -7.638 1.00 . A A . 25 GLY O 1 1 13 4236 1 1 26 LEU C C -3.949 6.069 -4.153 1.00 . A A . 26 LEU C 1 1 13 4237 1 1 26 LEU CA C -4.872 6.881 -5.055 1.00 . A A . 26 LEU CA 1 1 13 4238 1 1 26 LEU CB C -5.919 7.610 -4.210 1.00 . A A . 26 LEU CB 1 1 13 4239 1 1 26 LEU CD1 C -8.243 8.529 -4.027 1.00 . A A . 26 LEU CD1 1 1 13 4240 1 1 26 LEU CD2 C -6.660 9.470 -5.719 1.00 . A A . 26 LEU CD2 1 1 13 4241 1 1 26 LEU CG C -7.096 8.216 -4.975 1.00 . A A . 26 LEU CG 1 1 13 4242 1 1 26 LEU H H -5.751 5.104 -5.795 1.00 . A A . 26 LEU H 1 1 13 4243 1 1 26 LEU HA H -4.283 7.611 -5.591 1.00 . A A . 26 LEU HA 1 1 13 4244 1 1 26 LEU HB3 H -5.418 8.410 -3.683 1.00 . A A . 26 LEU HB3 1 1 13 4245 1 1 26 LEU HD11 H -8.506 7.640 -3.474 1.00 . A A . 26 LEU HD11 1 1 13 4246 1 1 26 LEU HD12 H -9.098 8.865 -4.596 1.00 . A A . 26 LEU HD12 1 1 13 4247 1 1 26 LEU HD13 H -7.941 9.306 -3.339 1.00 . A A . 26 LEU HD13 1 1 13 4248 1 1 26 LEU HD21 H -7.224 9.560 -6.634 1.00 . A A . 26 LEU HD21 1 1 13 4249 1 1 26 LEU HD22 H -5.607 9.403 -5.949 1.00 . A A . 26 LEU HD22 1 1 13 4250 1 1 26 LEU HD23 H -6.837 10.337 -5.099 1.00 . A A . 26 LEU HD23 1 1 13 4251 1 1 26 LEU HG H -7.451 7.501 -5.703 1.00 . A A . 26 LEU HG 1 1 13 4252 1 1 26 LEU N N -5.525 6.025 -6.039 1.00 . A A . 26 LEU N 1 1 13 4253 1 1 26 LEU O O -4.152 4.875 -3.930 1.00 . A A . 26 LEU O 1 1 13 4254 1 1 27 PRO C C -2.536 5.735 -1.374 1.00 . A A . 27 PRO C 1 1 13 4255 1 1 27 PRO CA C -1.938 6.089 -2.730 1.00 . A A . 27 PRO CA 1 1 13 4256 1 1 27 PRO CB C -0.847 7.151 -2.573 1.00 . A A . 27 PRO CB 1 1 13 4257 1 1 27 PRO CD C -2.607 8.153 -3.842 1.00 . A A . 27 PRO CD 1 1 13 4258 1 1 27 PRO CG C -1.541 8.446 -2.824 1.00 . A A . 27 PRO CG 1 1 13 4259 1 1 27 PRO HA H -1.516 5.201 -3.179 1.00 . A A . 27 PRO HA 1 1 13 4260 1 1 27 PRO HB3 H -0.063 6.977 -3.295 1.00 . A A . 27 PRO HB3 1 1 13 4261 1 1 27 PRO HD3 H -2.231 8.315 -4.841 1.00 . A A . 27 PRO HD3 1 1 13 4262 1 1 27 PRO HG3 H -0.839 9.168 -3.215 1.00 . A A . 27 PRO HG3 1 1 13 4263 1 1 27 PRO N N -2.911 6.730 -3.620 1.00 . A A . 27 PRO N 1 1 13 4264 1 1 27 PRO O O -1.827 5.668 -0.370 1.00 . A A . 27 PRO O 1 1 14 4265 1 1 1 SER C C -2.681 5.378 0.095 1.00 . A A . 1 SER C 1 1 14 4266 1 1 1 SER CA C -2.145 6.395 -0.910 1.00 . A A . 1 SER CA 1 1 14 4267 1 1 1 SER CB C -2.124 7.789 -0.279 1.00 . A A . 1 SER CB 1 1 14 4268 1 1 1 SER H1 H -3.922 6.272 -2.054 1.00 . A A . 1 SER H1 1 1 14 4269 1 1 1 SER HA H -1.138 6.117 -1.183 1.00 . A A . 1 SER HA 1 1 14 4270 1 1 1 SER HB3 H -1.810 8.511 -1.019 1.00 . A A . 1 SER HB3 1 1 14 4271 1 1 1 SER HG H -3.377 9.043 0.555 1.00 . A A . 1 SER HG 1 1 14 4272 1 1 1 SER N N -2.953 6.401 -2.123 1.00 . A A . 1 SER N 1 1 14 4273 1 1 1 SER O O -3.887 5.145 0.176 1.00 . A A . 1 SER O 1 1 14 4274 1 1 1 SER OG O -3.407 8.153 0.198 1.00 . A A . 1 SER OG 1 1 14 4275 1 1 2 CYS C C -1.075 3.650 2.927 1.00 . A A . 2 CYS C 1 1 14 4276 1 1 2 CYS CA C -2.154 3.785 1.857 1.00 . A A . 2 CYS CA 1 1 14 4277 1 1 2 CYS CB C -2.399 2.429 1.192 1.00 . A A . 2 CYS CB 1 1 14 4278 1 1 2 CYS H H -0.827 5.005 0.746 1.00 . A A . 2 CYS H 1 1 14 4279 1 1 2 CYS HA H -3.067 4.117 2.325 1.00 . A A . 2 CYS HA 1 1 14 4280 1 1 2 CYS HB3 H -1.674 1.719 1.560 1.00 . A A . 2 CYS HB3 1 1 14 4281 1 1 2 CYS N N -1.775 4.776 0.858 1.00 . A A . 2 CYS N 1 1 14 4282 1 1 2 CYS O O 0.118 3.633 2.622 1.00 . A A . 2 CYS O 1 1 14 4283 1 1 2 CYS SG S -4.058 1.739 1.499 1.00 . A A . 2 CYS SG 1 1 14 4284 1 1 3 GLY C C -0.032 2.011 5.423 1.00 . A A . 3 GLY C 1 1 14 4285 1 1 3 GLY CA C -0.559 3.424 5.279 1.00 . A A . 3 GLY CA 1 1 14 4286 1 1 3 GLY H H -2.463 3.576 4.366 1.00 . A A . 3 GLY H 1 1 14 4287 1 1 3 GLY HA2 H 0.272 4.092 5.106 1.00 . A A . 3 GLY HA2 1 1 14 4288 1 1 3 GLY HA3 H -1.052 3.708 6.197 1.00 . A A . 3 GLY HA3 1 1 14 4289 1 1 3 GLY N N -1.501 3.556 4.182 1.00 . A A . 3 GLY N 1 1 14 4290 1 1 3 GLY O O 0.207 1.325 4.430 1.00 . A A . 3 GLY O 1 1 14 4291 1 1 4 GLY C C 2.064 0.040 6.394 1.00 . A A . 4 GLY C 1 1 14 4292 1 1 4 GLY CA C 0.654 0.235 6.914 1.00 . A A . 4 GLY CA 1 1 14 4293 1 1 4 GLY H H -0.057 2.165 7.420 1.00 . A A . 4 GLY H 1 1 14 4294 1 1 4 GLY HA2 H 0.645 0.051 7.978 1.00 . A A . 4 GLY HA2 1 1 14 4295 1 1 4 GLY HA3 H 0.003 -0.478 6.431 1.00 . A A . 4 GLY HA3 1 1 14 4296 1 1 4 GLY N N 0.152 1.573 6.666 1.00 . A A . 4 GLY N 1 1 14 4297 1 1 4 GLY O O 2.506 0.755 5.495 1.00 . A A . 4 GLY O 1 1 14 4298 1 1 5 SER C C 4.194 -2.417 5.615 1.00 . A A . 5 SER C 1 1 14 4299 1 1 5 SER CA C 4.144 -1.214 6.552 1.00 . A A . 5 SER CA 1 1 14 4300 1 1 5 SER CB C 5.021 -1.474 7.779 1.00 . A A . 5 SER CB 1 1 14 4301 1 1 5 SER H H 2.366 -1.467 7.673 1.00 . A A . 5 SER H 1 1 14 4302 1 1 5 SER HA H 4.521 -0.349 6.028 1.00 . A A . 5 SER HA 1 1 14 4303 1 1 5 SER HB3 H 5.642 -0.608 7.963 1.00 . A A . 5 SER HB3 1 1 14 4304 1 1 5 SER HG H 4.012 -0.889 9.353 1.00 . A A . 5 SER HG 1 1 14 4305 1 1 5 SER N N 2.774 -0.931 6.960 1.00 . A A . 5 SER N 1 1 14 4306 1 1 5 SER O O 3.337 -3.300 5.672 1.00 . A A . 5 SER O 1 1 14 4307 1 1 5 SER OG O 4.231 -1.723 8.928 1.00 . A A . 5 SER OG 1 1 14 4308 1 1 6 CYS C C 5.949 -4.771 4.483 1.00 . A A . 6 CYS C 1 1 14 4309 1 1 6 CYS CA C 5.367 -3.538 3.800 1.00 . A A . 6 CYS CA 1 1 14 4310 1 1 6 CYS CB C 6.272 -3.106 2.645 1.00 . A A . 6 CYS CB 1 1 14 4311 1 1 6 CYS H H 5.855 -1.712 4.753 1.00 . A A . 6 CYS H 1 1 14 4312 1 1 6 CYS HA H 4.392 -3.785 3.407 1.00 . A A . 6 CYS HA 1 1 14 4313 1 1 6 CYS HB3 H 6.810 -3.967 2.277 1.00 . A A . 6 CYS HB3 1 1 14 4314 1 1 6 CYS N N 5.204 -2.445 4.751 1.00 . A A . 6 CYS N 1 1 14 4315 1 1 6 CYS O O 5.791 -5.894 4.002 1.00 . A A . 6 CYS O 1 1 14 4316 1 1 6 CYS SG S 5.383 -2.364 1.239 1.00 . A A . 6 CYS SG 1 1 14 4317 1 1 7 PHE C C 6.186 -6.375 7.202 1.00 . A A . 7 PHE C 1 1 14 4318 1 1 7 PHE CA C 7.229 -5.649 6.358 1.00 . A A . 7 PHE CA 1 1 14 4319 1 1 7 PHE CB C 8.349 -5.120 7.256 1.00 . A A . 7 PHE CB 1 1 14 4320 1 1 7 PHE CD1 C 10.069 -6.907 6.873 1.00 . A A . 7 PHE CD1 1 1 14 4321 1 1 7 PHE CD2 C 9.350 -6.486 9.108 1.00 . A A . 7 PHE CD2 1 1 14 4322 1 1 7 PHE CE1 C 10.921 -7.895 7.330 1.00 . A A . 7 PHE CE1 1 1 14 4323 1 1 7 PHE CE2 C 10.201 -7.473 9.570 1.00 . A A . 7 PHE CE2 1 1 14 4324 1 1 7 PHE CG C 9.275 -6.193 7.756 1.00 . A A . 7 PHE CG 1 1 14 4325 1 1 7 PHE CZ C 10.987 -8.177 8.680 1.00 . A A . 7 PHE CZ 1 1 14 4326 1 1 7 PHE H H 6.714 -3.638 5.942 1.00 . A A . 7 PHE H 1 1 14 4327 1 1 7 PHE HA H 7.648 -6.345 5.648 1.00 . A A . 7 PHE HA 1 1 14 4328 1 1 7 PHE HB3 H 7.912 -4.631 8.114 1.00 . A A . 7 PHE HB3 1 1 14 4329 1 1 7 PHE HD1 H 10.018 -6.686 5.817 1.00 . A A . 7 PHE HD1 1 1 14 4330 1 1 7 PHE HD2 H 8.735 -5.935 9.805 1.00 . A A . 7 PHE HD2 1 1 14 4331 1 1 7 PHE HE1 H 11.534 -8.444 6.632 1.00 . A A . 7 PHE HE1 1 1 14 4332 1 1 7 PHE HE2 H 10.250 -7.691 10.627 1.00 . A A . 7 PHE HE2 1 1 14 4333 1 1 7 PHE HZ H 11.651 -8.949 9.040 1.00 . A A . 7 PHE HZ 1 1 14 4334 1 1 7 PHE N N 6.623 -4.556 5.609 1.00 . A A . 7 PHE N 1 1 14 4335 1 1 7 PHE O O 6.412 -7.492 7.664 1.00 . A A . 7 PHE O 1 1 14 4336 1 1 8 GLY C C 2.633 -6.261 7.493 1.00 . A A . 8 GLY C 1 1 14 4337 1 1 8 GLY CA C 3.978 -6.328 8.188 1.00 . A A . 8 GLY CA 1 1 14 4338 1 1 8 GLY H H 4.914 -4.841 7.005 1.00 . A A . 8 GLY H 1 1 14 4339 1 1 8 GLY HA2 H 4.223 -7.363 8.376 1.00 . A A . 8 GLY HA2 1 1 14 4340 1 1 8 GLY HA3 H 3.909 -5.807 9.130 1.00 . A A . 8 GLY HA3 1 1 14 4341 1 1 8 GLY N N 5.040 -5.730 7.399 1.00 . A A . 8 GLY N 1 1 14 4342 1 1 8 GLY O O 1.588 -6.323 8.140 1.00 . A A . 8 GLY O 1 1 14 4343 1 1 9 GLY C C 0.920 -4.636 5.258 1.00 . A A . 9 GLY C 1 1 14 4344 1 1 9 GLY CA C 1.423 -6.058 5.408 1.00 . A A . 9 GLY CA 1 1 14 4345 1 1 9 GLY H H 3.519 -6.089 5.705 1.00 . A A . 9 GLY H 1 1 14 4346 1 1 9 GLY HA2 H 1.592 -6.475 4.426 1.00 . A A . 9 GLY HA2 1 1 14 4347 1 1 9 GLY HA3 H 0.667 -6.644 5.912 1.00 . A A . 9 GLY HA3 1 1 14 4348 1 1 9 GLY N N 2.656 -6.133 6.170 1.00 . A A . 9 GLY N 1 1 14 4349 1 1 9 GLY O O 0.875 -3.880 6.229 1.00 . A A . 9 GLY O 1 1 14 4350 1 1 10 CYS C C -1.336 -2.722 4.391 1.00 . A A . 10 CYS C 1 1 14 4351 1 1 10 CYS CA C 0.040 -2.928 3.763 1.00 . A A . 10 CYS CA 1 1 14 4352 1 1 10 CYS CB C -0.035 -2.689 2.254 1.00 . A A . 10 CYS CB 1 1 14 4353 1 1 10 CYS H H 0.599 -4.918 3.304 1.00 . A A . 10 CYS H 1 1 14 4354 1 1 10 CYS HA H 0.730 -2.221 4.198 1.00 . A A . 10 CYS HA 1 1 14 4355 1 1 10 CYS HB3 H -0.854 -2.018 2.044 1.00 . A A . 10 CYS HB3 1 1 14 4356 1 1 10 CYS N N 0.541 -4.270 4.039 1.00 . A A . 10 CYS N 1 1 14 4357 1 1 10 CYS O O -1.927 -3.654 4.936 1.00 . A A . 10 CYS O 1 1 14 4358 1 1 10 CYS SG S 1.476 -1.963 1.541 1.00 . A A . 10 CYS SG 1 1 14 4359 1 1 11 TRP C C -4.209 -2.139 4.374 1.00 . A A . 11 TRP C 1 1 14 4360 1 1 11 TRP CA C -3.144 -1.166 4.870 1.00 . A A . 11 TRP CA 1 1 14 4361 1 1 11 TRP CB C -3.534 0.267 4.501 1.00 . A A . 11 TRP CB 1 1 14 4362 1 1 11 TRP CD1 C -2.905 1.192 6.806 1.00 . A A . 11 TRP CD1 1 1 14 4363 1 1 11 TRP CD2 C -4.701 2.161 5.883 1.00 . A A . 11 TRP CD2 1 1 14 4364 1 1 11 TRP CE2 C -4.464 2.755 7.138 1.00 . A A . 11 TRP CE2 1 1 14 4365 1 1 11 TRP CE3 C -5.780 2.611 5.117 1.00 . A A . 11 TRP CE3 1 1 14 4366 1 1 11 TRP CG C -3.692 1.164 5.691 1.00 . A A . 11 TRP CG 1 1 14 4367 1 1 11 TRP CH2 C -6.317 4.195 6.871 1.00 . A A . 11 TRP CH2 1 1 14 4368 1 1 11 TRP CZ2 C -5.268 3.775 7.642 1.00 . A A . 11 TRP CZ2 1 1 14 4369 1 1 11 TRP CZ3 C -6.577 3.622 5.619 1.00 . A A . 11 TRP CZ3 1 1 14 4370 1 1 11 TRP H H -1.319 -0.795 3.863 1.00 . A A . 11 TRP H 1 1 14 4371 1 1 11 TRP HA H -3.072 -1.245 5.944 1.00 . A A . 11 TRP HA 1 1 14 4372 1 1 11 TRP HB3 H -4.473 0.249 3.967 1.00 . A A . 11 TRP HB3 1 1 14 4373 1 1 11 TRP HD1 H -2.052 0.550 6.965 1.00 . A A . 11 TRP HD1 1 1 14 4374 1 1 11 TRP HE1 H -2.967 2.358 8.553 1.00 . A A . 11 TRP HE1 1 1 14 4375 1 1 11 TRP HE3 H -5.996 2.181 4.151 1.00 . A A . 11 TRP HE3 1 1 14 4376 1 1 11 TRP HH2 H -6.966 4.983 7.223 1.00 . A A . 11 TRP HH2 1 1 14 4377 1 1 11 TRP HZ2 H -5.081 4.227 8.605 1.00 . A A . 11 TRP HZ2 1 1 14 4378 1 1 11 TRP HZ3 H -7.415 3.982 5.042 1.00 . A A . 11 TRP HZ3 1 1 14 4379 1 1 11 TRP N N -1.838 -1.496 4.310 1.00 . A A . 11 TRP N 1 1 14 4380 1 1 11 TRP NE1 N -3.364 2.146 7.681 1.00 . A A . 11 TRP NE1 1 1 14 4381 1 1 11 TRP O O -3.994 -2.932 3.441 1.00 . A A . 11 TRP O 1 1 14 4382 1 1 12 HYP C C -7.117 -2.653 3.300 1.00 . A A . 12 HYP C 1 1 14 4383 1 1 12 HYP CA C -6.520 -2.968 4.661 1.00 . A A . 12 HYP CA 1 1 14 4384 1 1 12 HYP CB C -7.543 -2.696 5.778 1.00 . A A . 12 HYP CB 1 1 14 4385 1 1 12 HYP CD C -5.741 -1.197 6.107 1.00 . A A . 12 HYP CD 1 1 14 4386 1 1 12 HYP CG C -6.760 -2.009 6.837 1.00 . A A . 12 HYP CG 1 1 14 4387 1 1 12 HYP HA H -6.227 -4.007 4.689 1.00 . A A . 12 HYP HA 1 1 14 4388 1 1 12 HYP HB2 H -7.950 -3.630 6.134 1.00 . A A . 12 HYP HB2 1 1 14 4389 1 1 12 HYP HB3 H -8.337 -2.066 5.403 1.00 . A A . 12 HYP HB3 1 1 14 4390 1 1 12 HYP HD1 H -6.022 -3.909 7.114 1.00 . A A . 12 HYP HD1 1 1 14 4391 1 1 12 HYP HD22 H -6.490 -0.308 5.880 1.00 . A A . 12 HYP HD22 1 1 14 4392 1 1 12 HYP HD23 H -5.149 -0.942 6.862 1.00 . A A . 12 HYP HD23 1 1 14 4393 1 1 12 HYP HG H -7.617 -1.630 7.504 1.00 . A A . 12 HYP HG 1 1 14 4394 1 1 12 HYP N N -5.394 -2.091 5.003 1.00 . A A . 12 HYP N 1 1 14 4395 1 1 12 HYP O O -7.644 -1.567 3.064 1.00 . A A . 12 HYP O 1 1 14 4396 1 1 12 HYP OD1 O -6.158 -3.109 7.644 1.00 . A A . 12 HYP OD1 1 1 14 4397 1 1 13 GLY C C -6.511 -2.916 0.088 1.00 . A A . 13 GLY C 1 1 14 4398 1 1 13 GLY CA C -7.552 -3.443 1.056 1.00 . A A . 13 GLY CA 1 1 14 4399 1 1 13 GLY H H -6.591 -4.469 2.641 1.00 . A A . 13 GLY H 1 1 14 4400 1 1 13 GLY HA2 H -7.918 -4.392 0.695 1.00 . A A . 13 GLY HA2 1 1 14 4401 1 1 13 GLY HA3 H -8.374 -2.744 1.098 1.00 . A A . 13 GLY HA3 1 1 14 4402 1 1 13 GLY N N -7.023 -3.624 2.396 1.00 . A A . 13 GLY N 1 1 14 4403 1 1 13 GLY O O -6.827 -2.583 -1.054 1.00 . A A . 13 GLY O 1 1 14 4404 1 1 14 CYS C C -3.131 -3.437 -0.515 1.00 . A A . 14 CYS C 1 1 14 4405 1 1 14 CYS CA C -4.175 -2.347 -0.286 1.00 . A A . 14 CYS CA 1 1 14 4406 1 1 14 CYS CB C -3.519 -1.128 0.364 1.00 . A A . 14 CYS CB 1 1 14 4407 1 1 14 CYS H H -5.075 -3.120 1.466 1.00 . A A . 14 CYS H 1 1 14 4408 1 1 14 CYS HA H -4.588 -2.057 -1.240 1.00 . A A . 14 CYS HA 1 1 14 4409 1 1 14 CYS HB3 H -2.506 -1.036 0.000 1.00 . A A . 14 CYS HB3 1 1 14 4410 1 1 14 CYS N N -5.265 -2.840 0.546 1.00 . A A . 14 CYS N 1 1 14 4411 1 1 14 CYS O O -3.294 -4.572 -0.065 1.00 . A A . 14 CYS O 1 1 14 4412 1 1 14 CYS SG S -4.374 0.445 0.027 1.00 . A A . 14 CYS SG 1 1 14 4413 1 1 15 SER C C 0.372 -3.348 -1.461 1.00 . A A . 15 SER C 1 1 14 4414 1 1 15 SER CA C -0.991 -4.033 -1.510 1.00 . A A . 15 SER CA 1 1 14 4415 1 1 15 SER CB C -1.205 -4.668 -2.885 1.00 . A A . 15 SER CB 1 1 14 4416 1 1 15 SER H H -1.987 -2.166 -1.551 1.00 . A A . 15 SER H 1 1 14 4417 1 1 15 SER HA H -1.020 -4.807 -0.758 1.00 . A A . 15 SER HA 1 1 14 4418 1 1 15 SER HB3 H -1.419 -5.720 -2.765 1.00 . A A . 15 SER HB3 1 1 14 4419 1 1 15 SER HG H -1.949 -3.459 -4.236 1.00 . A A . 15 SER HG 1 1 14 4420 1 1 15 SER N N -2.059 -3.084 -1.219 1.00 . A A . 15 SER N 1 1 14 4421 1 1 15 SER O O 0.467 -2.123 -1.534 1.00 . A A . 15 SER O 1 1 14 4422 1 1 15 SER OG O -2.288 -4.057 -3.566 1.00 . A A . 15 SER OG 1 1 14 4423 1 1 16 CYS C C 3.437 -3.648 -2.654 1.00 . A A . 16 CYS C 1 1 14 4424 1 1 16 CYS CA C 2.783 -3.623 -1.276 1.00 . A A . 16 CYS CA 1 1 14 4425 1 1 16 CYS CB C 3.622 -4.434 -0.286 1.00 . A A . 16 CYS CB 1 1 14 4426 1 1 16 CYS H H 1.285 -5.119 -1.282 1.00 . A A . 16 CYS H 1 1 14 4427 1 1 16 CYS HA H 2.729 -2.601 -0.935 1.00 . A A . 16 CYS HA 1 1 14 4428 1 1 16 CYS HB3 H 3.662 -5.461 -0.617 1.00 . A A . 16 CYS HB3 1 1 14 4429 1 1 16 CYS N N 1.425 -4.150 -1.336 1.00 . A A . 16 CYS N 1 1 14 4430 1 1 16 CYS O O 3.932 -4.682 -3.099 1.00 . A A . 16 CYS O 1 1 14 4431 1 1 16 CYS SG S 5.336 -3.842 -0.104 1.00 . A A . 16 CYS SG 1 1 14 4432 1 1 17 TYR C C 5.037 -1.247 -4.704 1.00 . A A . 17 TYR C 1 1 14 4433 1 1 17 TYR CA C 4.026 -2.388 -4.651 1.00 . A A . 17 TYR CA 1 1 14 4434 1 1 17 TYR CB C 2.936 -2.168 -5.701 1.00 . A A . 17 TYR CB 1 1 14 4435 1 1 17 TYR CD1 C 4.328 -2.946 -7.660 1.00 . A A . 17 TYR CD1 1 1 14 4436 1 1 17 TYR CD2 C 3.121 -0.901 -7.878 1.00 . A A . 17 TYR CD2 1 1 14 4437 1 1 17 TYR CE1 C 4.819 -2.797 -8.942 1.00 . A A . 17 TYR CE1 1 1 14 4438 1 1 17 TYR CE2 C 3.607 -0.745 -9.161 1.00 . A A . 17 TYR CE2 1 1 14 4439 1 1 17 TYR CG C 3.472 -2.002 -7.105 1.00 . A A . 17 TYR CG 1 1 14 4440 1 1 17 TYR CZ C 4.457 -1.696 -9.688 1.00 . A A . 17 TYR CZ 1 1 14 4441 1 1 17 TYR H H 3.025 -1.709 -2.915 1.00 . A A . 17 TYR H 1 1 14 4442 1 1 17 TYR HA H 4.537 -3.316 -4.866 1.00 . A A . 17 TYR HA 1 1 14 4443 1 1 17 TYR HB3 H 2.379 -1.277 -5.450 1.00 . A A . 17 TYR HB3 1 1 14 4444 1 1 17 TYR HD1 H 4.608 -3.807 -7.072 1.00 . A A . 17 TYR HD1 1 1 14 4445 1 1 17 TYR HD2 H 2.456 -0.159 -7.461 1.00 . A A . 17 TYR HD2 1 1 14 4446 1 1 17 TYR HE1 H 5.484 -3.541 -9.355 1.00 . A A . 17 TYR HE1 1 1 14 4447 1 1 17 TYR HE2 H 3.324 0.117 -9.746 1.00 . A A . 17 TYR HE2 1 1 14 4448 1 1 17 TYR HH H 5.647 -0.891 -10.966 1.00 . A A . 17 TYR HH 1 1 14 4449 1 1 17 TYR N N 3.435 -2.500 -3.323 1.00 . A A . 17 TYR N 1 1 14 4450 1 1 17 TYR O O 4.741 -0.122 -4.304 1.00 . A A . 17 TYR O 1 1 14 4451 1 1 17 TYR OH O 4.944 -1.545 -10.967 1.00 . A A . 17 TYR OH 1 1 14 4452 1 1 18 ALA C C 7.729 -0.062 -3.933 1.00 . A A . 18 ALA C 1 1 14 4453 1 1 18 ALA CA C 7.287 -0.547 -5.310 1.00 . A A . 18 ALA CA 1 1 14 4454 1 1 18 ALA CB C 6.818 0.626 -6.159 1.00 . A A . 18 ALA CB 1 1 14 4455 1 1 18 ALA H H 6.408 -2.461 -5.504 1.00 . A A . 18 ALA H 1 1 14 4456 1 1 18 ALA HA H 8.131 -1.004 -5.808 1.00 . A A . 18 ALA HA 1 1 14 4457 1 1 18 ALA HB1 H 6.221 0.259 -6.981 1.00 . A A . 18 ALA HB1 1 1 14 4458 1 1 18 ALA HB2 H 6.224 1.293 -5.552 1.00 . A A . 18 ALA HB2 1 1 14 4459 1 1 18 ALA HB3 H 7.675 1.157 -6.544 1.00 . A A . 18 ALA HB3 1 1 14 4460 1 1 18 ALA N N 6.232 -1.547 -5.202 1.00 . A A . 18 ALA N 1 1 14 4461 1 1 18 ALA O O 7.900 1.136 -3.712 1.00 . A A . 18 ALA O 1 1 14 4462 1 1 19 ARG C C 7.375 0.337 -1.021 1.00 . A A . 19 ARG C 1 1 14 4463 1 1 19 ARG CA C 8.330 -0.670 -1.655 1.00 . A A . 19 ARG CA 1 1 14 4464 1 1 19 ARG CB C 9.753 -0.107 -1.662 1.00 . A A . 19 ARG CB 1 1 14 4465 1 1 19 ARG CD C 11.420 -0.146 0.219 1.00 . A A . 19 ARG CD 1 1 14 4466 1 1 19 ARG CG C 10.747 -0.952 -0.882 1.00 . A A . 19 ARG CG 1 1 14 4467 1 1 19 ARG CZ C 12.931 -0.566 2.111 1.00 . A A . 19 ARG CZ 1 1 14 4468 1 1 19 ARG H H 7.758 -1.942 -3.248 1.00 . A A . 19 ARG H 1 1 14 4469 1 1 19 ARG HA H 8.316 -1.579 -1.072 1.00 . A A . 19 ARG HA 1 1 14 4470 1 1 19 ARG HB3 H 9.736 0.882 -1.229 1.00 . A A . 19 ARG HB3 1 1 14 4471 1 1 19 ARG HD3 H 10.663 0.194 0.911 1.00 . A A . 19 ARG HD3 1 1 14 4472 1 1 19 ARG HE H 12.701 -1.780 0.545 1.00 . A A . 19 ARG HE 1 1 14 4473 1 1 19 ARG HG3 H 11.501 -1.320 -1.560 1.00 . A A . 19 ARG HG3 1 1 14 4474 1 1 19 ARG HH11 H 11.881 1.156 2.227 1.00 . A A . 19 ARG HH11 1 1 14 4475 1 1 19 ARG HH12 H 12.950 0.848 3.556 1.00 . A A . 19 ARG HH12 1 1 14 4476 1 1 19 ARG HH21 H 14.113 -2.197 2.288 1.00 . A A . 19 ARG HH21 1 1 14 4477 1 1 19 ARG HH22 H 14.220 -1.060 3.588 1.00 . A A . 19 ARG HH22 1 1 14 4478 1 1 19 ARG N N 7.911 -1.002 -3.011 1.00 . A A . 19 ARG N 1 1 14 4479 1 1 19 ARG NE N 12.410 -0.935 0.946 1.00 . A A . 19 ARG NE 1 1 14 4480 1 1 19 ARG NH1 N 12.558 0.573 2.678 1.00 . A A . 19 ARG NH1 1 1 14 4481 1 1 19 ARG NH2 N 13.828 -1.338 2.712 1.00 . A A . 19 ARG NH2 1 1 14 4482 1 1 19 ARG O O 7.735 1.043 -0.080 1.00 . A A . 19 ARG O 1 1 14 4483 1 1 20 THR C C 3.742 0.765 -1.233 1.00 . A A . 20 THR C 1 1 14 4484 1 1 20 THR CA C 5.148 1.319 -1.032 1.00 . A A . 20 THR CA 1 1 14 4485 1 1 20 THR CB C 5.248 2.696 -1.715 1.00 . A A . 20 THR CB 1 1 14 4486 1 1 20 THR CG2 C 4.682 3.786 -0.818 1.00 . A A . 20 THR CG2 1 1 14 4487 1 1 20 THR H H 5.927 -0.191 -2.294 1.00 . A A . 20 THR H 1 1 14 4488 1 1 20 THR HA H 5.325 1.451 0.025 1.00 . A A . 20 THR HA 1 1 14 4489 1 1 20 THR HB H 4.673 2.670 -2.630 1.00 . A A . 20 THR HB 1 1 14 4490 1 1 20 THR HG1 H 6.659 3.426 -2.883 1.00 . A A . 20 THR HG1 1 1 14 4491 1 1 20 THR HG21 H 5.242 4.698 -0.964 1.00 . A A . 20 THR HG21 1 1 14 4492 1 1 20 THR HG22 H 4.758 3.479 0.215 1.00 . A A . 20 THR HG22 1 1 14 4493 1 1 20 THR HG23 H 3.646 3.956 -1.068 1.00 . A A . 20 THR HG23 1 1 14 4494 1 1 20 THR N N 6.155 0.397 -1.545 1.00 . A A . 20 THR N 1 1 14 4495 1 1 20 THR O O 3.538 -0.174 -2.005 1.00 . A A . 20 THR O 1 1 14 4496 1 1 20 THR OG1 O 6.614 2.990 -2.029 1.00 . A A . 20 THR OG1 1 1 14 4497 1 1 21 CYS C C 0.616 1.784 -1.628 1.00 . A A . 21 CYS C 1 1 14 4498 1 1 21 CYS CA C 1.388 0.916 -0.637 1.00 . A A . 21 CYS CA 1 1 14 4499 1 1 21 CYS CB C 0.713 0.967 0.735 1.00 . A A . 21 CYS CB 1 1 14 4500 1 1 21 CYS H H 3.000 2.094 0.063 1.00 . A A . 21 CYS H 1 1 14 4501 1 1 21 CYS HA H 1.384 -0.104 -0.992 1.00 . A A . 21 CYS HA 1 1 14 4502 1 1 21 CYS HB3 H -0.300 0.602 0.644 1.00 . A A . 21 CYS HB3 1 1 14 4503 1 1 21 CYS N N 2.776 1.351 -0.536 1.00 . A A . 21 CYS N 1 1 14 4504 1 1 21 CYS O O 0.590 3.009 -1.507 1.00 . A A . 21 CYS O 1 1 14 4505 1 1 21 CYS SG S 1.549 -0.026 2.012 1.00 . A A . 21 CYS SG 1 1 14 4506 1 1 22 PHE C C -1.831 0.941 -4.245 1.00 . A A . 22 PHE C 1 1 14 4507 1 1 22 PHE CA C -0.780 1.853 -3.621 1.00 . A A . 22 PHE CA 1 1 14 4508 1 1 22 PHE CB C 0.148 2.400 -4.707 1.00 . A A . 22 PHE CB 1 1 14 4509 1 1 22 PHE CD1 C 0.337 4.833 -4.121 1.00 . A A . 22 PHE CD1 1 1 14 4510 1 1 22 PHE CD2 C -0.699 4.242 -6.186 1.00 . A A . 22 PHE CD2 1 1 14 4511 1 1 22 PHE CE1 C 0.130 6.171 -4.397 1.00 . A A . 22 PHE CE1 1 1 14 4512 1 1 22 PHE CE2 C -0.906 5.578 -6.468 1.00 . A A . 22 PHE CE2 1 1 14 4513 1 1 22 PHE CG C -0.076 3.853 -5.010 1.00 . A A . 22 PHE CG 1 1 14 4514 1 1 22 PHE CZ C -0.491 6.545 -5.573 1.00 . A A . 22 PHE CZ 1 1 14 4515 1 1 22 PHE H H 0.049 0.163 -2.651 1.00 . A A . 22 PHE H 1 1 14 4516 1 1 22 PHE HA H -1.279 2.678 -3.136 1.00 . A A . 22 PHE HA 1 1 14 4517 1 1 22 PHE HB3 H -0.008 1.842 -5.617 1.00 . A A . 22 PHE HB3 1 1 14 4518 1 1 22 PHE HD1 H 0.823 4.542 -3.202 1.00 . A A . 22 PHE HD1 1 1 14 4519 1 1 22 PHE HD2 H -1.024 3.486 -6.887 1.00 . A A . 22 PHE HD2 1 1 14 4520 1 1 22 PHE HE1 H 0.457 6.925 -3.696 1.00 . A A . 22 PHE HE1 1 1 14 4521 1 1 22 PHE HE2 H -1.393 5.867 -7.388 1.00 . A A . 22 PHE HE2 1 1 14 4522 1 1 22 PHE HZ H -0.653 7.590 -5.792 1.00 . A A . 22 PHE HZ 1 1 14 4523 1 1 22 PHE N N -0.009 1.140 -2.608 1.00 . A A . 22 PHE N 1 1 14 4524 1 1 22 PHE O O -1.563 -0.225 -4.535 1.00 . A A . 22 PHE O 1 1 14 4525 1 1 23 ARG C C -5.006 1.609 -5.901 1.00 . A A . 23 ARG C 1 1 14 4526 1 1 23 ARG CA C -4.122 0.716 -5.037 1.00 . A A . 23 ARG CA 1 1 14 4527 1 1 23 ARG CB C -4.960 0.057 -3.940 1.00 . A A . 23 ARG CB 1 1 14 4528 1 1 23 ARG CD C -6.842 0.345 -2.299 1.00 . A A . 23 ARG CD 1 1 14 4529 1 1 23 ARG CG C -5.764 1.045 -3.112 1.00 . A A . 23 ARG CG 1 1 14 4530 1 1 23 ARG CZ C -9.014 -0.739 -2.688 1.00 . A A . 23 ARG CZ 1 1 14 4531 1 1 23 ARG H H -3.182 2.415 -4.196 1.00 . A A . 23 ARG H 1 1 14 4532 1 1 23 ARG HA H -3.691 -0.054 -5.659 1.00 . A A . 23 ARG HA 1 1 14 4533 1 1 23 ARG HB3 H -4.302 -0.484 -3.277 1.00 . A A . 23 ARG HB3 1 1 14 4534 1 1 23 ARG HD3 H -7.305 1.067 -1.643 1.00 . A A . 23 ARG HD3 1 1 14 4535 1 1 23 ARG HE H -7.694 -0.288 -4.114 1.00 . A A . 23 ARG HE 1 1 14 4536 1 1 23 ARG HG3 H -6.231 1.759 -3.773 1.00 . A A . 23 ARG HG3 1 1 14 4537 1 1 23 ARG HH11 H -8.613 -0.306 -0.756 1.00 . A A . 23 ARG HH11 1 1 14 4538 1 1 23 ARG HH12 H -10.141 -1.071 -1.044 1.00 . A A . 23 ARG HH12 1 1 14 4539 1 1 23 ARG HH21 H -9.703 -1.294 -4.505 1.00 . A A . 23 ARG HH21 1 1 14 4540 1 1 23 ARG HH22 H -10.760 -1.632 -3.176 1.00 . A A . 23 ARG HH22 1 1 14 4541 1 1 23 ARG N N -3.029 1.480 -4.448 1.00 . A A . 23 ARG N 1 1 14 4542 1 1 23 ARG NE N -7.869 -0.250 -3.150 1.00 . A A . 23 ARG NE 1 1 14 4543 1 1 23 ARG NH1 N -9.277 -0.703 -1.388 1.00 . A A . 23 ARG NH1 1 1 14 4544 1 1 23 ARG NH2 N -9.898 -1.266 -3.526 1.00 . A A . 23 ARG NH2 1 1 14 4545 1 1 23 ARG O O -5.238 2.773 -5.575 1.00 . A A . 23 ARG O 1 1 14 4546 1 1 24 ASP C C -7.547 2.402 -7.173 1.00 . A A . 24 ASP C 1 1 14 4547 1 1 24 ASP CA C -6.358 1.802 -7.916 1.00 . A A . 24 ASP CA 1 1 14 4548 1 1 24 ASP CB C -6.851 0.894 -9.044 1.00 . A A . 24 ASP CB 1 1 14 4549 1 1 24 ASP CG C -5.947 0.936 -10.260 1.00 . A A . 24 ASP CG 1 1 14 4550 1 1 24 ASP H H -5.277 0.123 -7.211 1.00 . A A . 24 ASP H 1 1 14 4551 1 1 24 ASP HA H -5.774 2.604 -8.342 1.00 . A A . 24 ASP HA 1 1 14 4552 1 1 24 ASP HB3 H -7.841 1.207 -9.342 1.00 . A A . 24 ASP HB3 1 1 14 4553 1 1 24 ASP N N -5.498 1.056 -7.005 1.00 . A A . 24 ASP N 1 1 14 4554 1 1 24 ASP O O -8.216 1.720 -6.398 1.00 . A A . 24 ASP O 1 1 14 4555 1 1 24 ASP OD1 O -5.872 2.002 -10.906 1.00 . A A . 24 ASP OD1 1 1 14 4556 1 1 24 ASP OD2 O -5.313 -0.096 -10.564 1.00 . A A . 24 ASP OD2 1 1 14 4557 1 1 25 GLY C C -8.500 5.017 -5.456 1.00 . A A . 25 GLY C 1 1 14 4558 1 1 25 GLY CA C -8.911 4.356 -6.757 1.00 . A A . 25 GLY CA 1 1 14 4559 1 1 25 GLY H H -7.235 4.180 -8.040 1.00 . A A . 25 GLY H 1 1 14 4560 1 1 25 GLY HA2 H -9.306 5.109 -7.422 1.00 . A A . 25 GLY HA2 1 1 14 4561 1 1 25 GLY HA3 H -9.684 3.630 -6.550 1.00 . A A . 25 GLY HA3 1 1 14 4562 1 1 25 GLY N N -7.803 3.684 -7.413 1.00 . A A . 25 GLY N 1 1 14 4563 1 1 25 GLY O O -9.165 5.938 -4.983 1.00 . A A . 25 GLY O 1 1 14 4564 1 1 26 LEU C C -5.389 5.268 -3.665 1.00 . A A . 26 LEU C 1 1 14 4565 1 1 26 LEU CA C -6.904 5.096 -3.621 1.00 . A A . 26 LEU CA 1 1 14 4566 1 1 26 LEU CB C -7.291 4.187 -2.452 1.00 . A A . 26 LEU CB 1 1 14 4567 1 1 26 LEU CD1 C -9.384 3.057 -1.662 1.00 . A A . 26 LEU CD1 1 1 14 4568 1 1 26 LEU CD2 C -8.621 5.176 -0.573 1.00 . A A . 26 LEU CD2 1 1 14 4569 1 1 26 LEU CG C -8.691 4.394 -1.877 1.00 . A A . 26 LEU CG 1 1 14 4570 1 1 26 LEU H H -6.914 3.809 -5.301 1.00 . A A . 26 LEU H 1 1 14 4571 1 1 26 LEU HA H -7.360 6.064 -3.479 1.00 . A A . 26 LEU HA 1 1 14 4572 1 1 26 LEU HB3 H -6.577 4.349 -1.658 1.00 . A A . 26 LEU HB3 1 1 14 4573 1 1 26 LEU HD11 H -9.427 2.520 -2.597 1.00 . A A . 26 LEU HD11 1 1 14 4574 1 1 26 LEU HD12 H -10.386 3.225 -1.295 1.00 . A A . 26 LEU HD12 1 1 14 4575 1 1 26 LEU HD13 H -8.829 2.476 -0.938 1.00 . A A . 26 LEU HD13 1 1 14 4576 1 1 26 LEU HD21 H -9.574 5.118 -0.067 1.00 . A A . 26 LEU HD21 1 1 14 4577 1 1 26 LEU HD22 H -8.388 6.208 -0.785 1.00 . A A . 26 LEU HD22 1 1 14 4578 1 1 26 LEU HD23 H -7.852 4.755 0.059 1.00 . A A . 26 LEU HD23 1 1 14 4579 1 1 26 LEU HG H -9.282 4.966 -2.579 1.00 . A A . 26 LEU HG 1 1 14 4580 1 1 26 LEU N N -7.401 4.545 -4.876 1.00 . A A . 26 LEU N 1 1 14 4581 1 1 26 LEU O O -4.635 4.505 -3.061 1.00 . A A . 26 LEU O 1 1 14 4582 1 1 27 PRO C C -2.892 7.116 -3.237 1.00 . A A . 27 PRO C 1 1 14 4583 1 1 27 PRO CA C -3.503 6.596 -4.532 1.00 . A A . 27 PRO CA 1 1 14 4584 1 1 27 PRO CB C -3.470 7.680 -5.613 1.00 . A A . 27 PRO CB 1 1 14 4585 1 1 27 PRO CD C -5.773 7.246 -5.141 1.00 . A A . 27 PRO CD 1 1 14 4586 1 1 27 PRO CG C -4.808 8.330 -5.537 1.00 . A A . 27 PRO CG 1 1 14 4587 1 1 27 PRO HA H -2.947 5.733 -4.870 1.00 . A A . 27 PRO HA 1 1 14 4588 1 1 27 PRO HB3 H -3.305 7.226 -6.578 1.00 . A A . 27 PRO HB3 1 1 14 4589 1 1 27 PRO HD3 H -6.196 6.779 -6.017 1.00 . A A . 27 PRO HD3 1 1 14 4590 1 1 27 PRO HG3 H -5.075 8.732 -6.503 1.00 . A A . 27 PRO HG3 1 1 14 4591 1 1 27 PRO N N -4.931 6.297 -4.394 1.00 . A A . 27 PRO N 1 1 14 4592 1 1 27 PRO O O -2.089 8.049 -3.249 1.00 . A A . 27 PRO O 1 1 15 4593 1 1 1 SER C C -4.520 4.468 1.241 1.00 . A A . 1 SER C 1 1 15 4594 1 1 1 SER CA C -4.496 5.639 0.263 1.00 . A A . 1 SER CA 1 1 15 4595 1 1 1 SER CB C -5.926 6.064 -0.075 1.00 . A A . 1 SER CB 1 1 15 4596 1 1 1 SER H1 H -4.254 4.846 -1.686 1.00 . A A . 1 SER H1 1 1 15 4597 1 1 1 SER HA H -3.982 6.469 0.726 1.00 . A A . 1 SER HA 1 1 15 4598 1 1 1 SER HB3 H -5.916 7.070 -0.472 1.00 . A A . 1 SER HB3 1 1 15 4599 1 1 1 SER HG H -7.299 5.600 -1.393 1.00 . A A . 1 SER HG 1 1 15 4600 1 1 1 SER N N -3.773 5.287 -0.953 1.00 . A A . 1 SER N 1 1 15 4601 1 1 1 SER O O -5.437 4.339 2.052 1.00 . A A . 1 SER O 1 1 15 4602 1 1 1 SER OG O -6.502 5.199 -1.038 1.00 . A A . 1 SER OG 1 1 15 4603 1 1 2 CYS C C -2.185 2.561 2.944 1.00 . A A . 2 CYS C 1 1 15 4604 1 1 2 CYS CA C -3.405 2.454 2.033 1.00 . A A . 2 CYS CA 1 1 15 4605 1 1 2 CYS CB C -3.327 1.171 1.204 1.00 . A A . 2 CYS CB 1 1 15 4606 1 1 2 CYS H H -2.802 3.771 0.489 1.00 . A A . 2 CYS H 1 1 15 4607 1 1 2 CYS HA H -4.294 2.423 2.645 1.00 . A A . 2 CYS HA 1 1 15 4608 1 1 2 CYS HB3 H -2.806 0.415 1.774 1.00 . A A . 2 CYS HB3 1 1 15 4609 1 1 2 CYS N N -3.503 3.616 1.157 1.00 . A A . 2 CYS N 1 1 15 4610 1 1 2 CYS O O -1.053 2.653 2.473 1.00 . A A . 2 CYS O 1 1 15 4611 1 1 2 CYS SG S -4.948 0.490 0.732 1.00 . A A . 2 CYS SG 1 1 15 4612 1 1 3 GLY C C -0.444 1.419 5.191 1.00 . A A . 3 GLY C 1 1 15 4613 1 1 3 GLY CA C -1.339 2.641 5.207 1.00 . A A . 3 GLY CA 1 1 15 4614 1 1 3 GLY H H -3.351 2.470 4.569 1.00 . A A . 3 GLY H 1 1 15 4615 1 1 3 GLY HA2 H -0.745 3.513 4.974 1.00 . A A . 3 GLY HA2 1 1 15 4616 1 1 3 GLY HA3 H -1.755 2.756 6.197 1.00 . A A . 3 GLY HA3 1 1 15 4617 1 1 3 GLY N N -2.426 2.546 4.251 1.00 . A A . 3 GLY N 1 1 15 4618 1 1 3 GLY O O -0.149 0.871 4.130 1.00 . A A . 3 GLY O 1 1 15 4619 1 1 4 GLY C C 2.127 -0.016 5.656 1.00 . A A . 4 GLY C 1 1 15 4620 1 1 4 GLY CA C 0.856 -0.172 6.467 1.00 . A A . 4 GLY CA 1 1 15 4621 1 1 4 GLY H H -0.276 1.467 7.185 1.00 . A A . 4 GLY H 1 1 15 4622 1 1 4 GLY HA2 H 1.118 -0.328 7.502 1.00 . A A . 4 GLY HA2 1 1 15 4623 1 1 4 GLY HA3 H 0.317 -1.036 6.107 1.00 . A A . 4 GLY HA3 1 1 15 4624 1 1 4 GLY N N -0.009 0.990 6.371 1.00 . A A . 4 GLY N 1 1 15 4625 1 1 4 GLY O O 2.395 1.053 5.107 1.00 . A A . 4 GLY O 1 1 15 4626 1 1 5 SER C C 4.625 -2.476 4.495 1.00 . A A . 5 SER C 1 1 15 4627 1 1 5 SER CA C 4.168 -1.060 4.837 1.00 . A A . 5 SER CA 1 1 15 4628 1 1 5 SER CB C 5.252 -0.345 5.646 1.00 . A A . 5 SER CB 1 1 15 4629 1 1 5 SER H H 2.648 -1.908 6.042 1.00 . A A . 5 SER H 1 1 15 4630 1 1 5 SER HA H 3.998 -0.517 3.920 1.00 . A A . 5 SER HA 1 1 15 4631 1 1 5 SER HB3 H 5.792 -1.068 6.239 1.00 . A A . 5 SER HB3 1 1 15 4632 1 1 5 SER HG H 6.946 0.575 5.296 1.00 . A A . 5 SER HG 1 1 15 4633 1 1 5 SER N N 2.915 -1.085 5.582 1.00 . A A . 5 SER N 1 1 15 4634 1 1 5 SER O O 4.133 -3.452 5.061 1.00 . A A . 5 SER O 1 1 15 4635 1 1 5 SER OG O 6.169 0.322 4.794 1.00 . A A . 5 SER OG 1 1 15 4636 1 1 6 CYS C C 6.636 -4.651 4.338 1.00 . A A . 6 CYS C 1 1 15 4637 1 1 6 CYS CA C 6.091 -3.872 3.144 1.00 . A A . 6 CYS CA 1 1 15 4638 1 1 6 CYS CB C 7.192 -3.684 2.099 1.00 . A A . 6 CYS CB 1 1 15 4639 1 1 6 CYS H H 5.920 -1.761 3.149 1.00 . A A . 6 CYS H 1 1 15 4640 1 1 6 CYS HA H 5.280 -4.431 2.704 1.00 . A A . 6 CYS HA 1 1 15 4641 1 1 6 CYS HB3 H 7.910 -4.486 2.195 1.00 . A A . 6 CYS HB3 1 1 15 4642 1 1 6 CYS N N 5.567 -2.577 3.565 1.00 . A A . 6 CYS N 1 1 15 4643 1 1 6 CYS O O 6.740 -5.877 4.297 1.00 . A A . 6 CYS O 1 1 15 4644 1 1 6 CYS SG S 6.591 -3.681 0.379 1.00 . A A . 6 CYS SG 1 1 15 4645 1 1 7 PHE C C 6.522 -5.559 7.185 1.00 . A A . 7 PHE C 1 1 15 4646 1 1 7 PHE CA C 7.515 -4.555 6.606 1.00 . A A . 7 PHE CA 1 1 15 4647 1 1 7 PHE CB C 7.849 -3.490 7.651 1.00 . A A . 7 PHE CB 1 1 15 4648 1 1 7 PHE CD1 C 9.386 -4.925 9.021 1.00 . A A . 7 PHE CD1 1 1 15 4649 1 1 7 PHE CD2 C 7.652 -3.732 10.141 1.00 . A A . 7 PHE CD2 1 1 15 4650 1 1 7 PHE CE1 C 9.808 -5.451 10.226 1.00 . A A . 7 PHE CE1 1 1 15 4651 1 1 7 PHE CE2 C 8.070 -4.255 11.350 1.00 . A A . 7 PHE CE2 1 1 15 4652 1 1 7 PHE CG C 8.304 -4.060 8.964 1.00 . A A . 7 PHE CG 1 1 15 4653 1 1 7 PHE CZ C 9.148 -5.116 11.393 1.00 . A A . 7 PHE CZ 1 1 15 4654 1 1 7 PHE H H 6.874 -2.957 5.373 1.00 . A A . 7 PHE H 1 1 15 4655 1 1 7 PHE HA H 8.420 -5.077 6.334 1.00 . A A . 7 PHE HA 1 1 15 4656 1 1 7 PHE HB3 H 6.970 -2.889 7.836 1.00 . A A . 7 PHE HB3 1 1 15 4657 1 1 7 PHE HD1 H 9.903 -5.187 8.108 1.00 . A A . 7 PHE HD1 1 1 15 4658 1 1 7 PHE HD2 H 6.807 -3.060 10.110 1.00 . A A . 7 PHE HD2 1 1 15 4659 1 1 7 PHE HE1 H 10.652 -6.124 10.257 1.00 . A A . 7 PHE HE1 1 1 15 4660 1 1 7 PHE HE2 H 7.551 -3.992 12.261 1.00 . A A . 7 PHE HE2 1 1 15 4661 1 1 7 PHE HZ H 9.476 -5.526 12.336 1.00 . A A . 7 PHE HZ 1 1 15 4662 1 1 7 PHE N N 6.980 -3.931 5.401 1.00 . A A . 7 PHE N 1 1 15 4663 1 1 7 PHE O O 6.693 -6.769 7.044 1.00 . A A . 7 PHE O 1 1 15 4664 1 1 8 GLY C C 3.285 -6.119 7.517 1.00 . A A . 8 GLY C 1 1 15 4665 1 1 8 GLY CA C 4.479 -5.911 8.428 1.00 . A A . 8 GLY CA 1 1 15 4666 1 1 8 GLY H H 5.398 -4.073 7.917 1.00 . A A . 8 GLY H 1 1 15 4667 1 1 8 GLY HA2 H 4.927 -6.869 8.643 1.00 . A A . 8 GLY HA2 1 1 15 4668 1 1 8 GLY HA3 H 4.138 -5.467 9.352 1.00 . A A . 8 GLY HA3 1 1 15 4669 1 1 8 GLY N N 5.484 -5.046 7.837 1.00 . A A . 8 GLY N 1 1 15 4670 1 1 8 GLY O O 2.213 -6.519 7.969 1.00 . A A . 8 GLY O 1 1 15 4671 1 1 9 GLY C C 1.564 -4.753 5.109 1.00 . A A . 9 GLY C 1 1 15 4672 1 1 9 GLY CA C 2.392 -6.013 5.273 1.00 . A A . 9 GLY CA 1 1 15 4673 1 1 9 GLY H H 4.348 -5.533 5.924 1.00 . A A . 9 GLY H 1 1 15 4674 1 1 9 GLY HA2 H 2.812 -6.283 4.315 1.00 . A A . 9 GLY HA2 1 1 15 4675 1 1 9 GLY HA3 H 1.747 -6.812 5.609 1.00 . A A . 9 GLY HA3 1 1 15 4676 1 1 9 GLY N N 3.471 -5.848 6.229 1.00 . A A . 9 GLY N 1 1 15 4677 1 1 9 GLY O O 1.212 -4.101 6.093 1.00 . A A . 9 GLY O 1 1 15 4678 1 1 10 CYS C C -0.877 -3.264 4.305 1.00 . A A . 10 CYS C 1 1 15 4679 1 1 10 CYS CA C 0.462 -3.219 3.574 1.00 . A A . 10 CYS CA 1 1 15 4680 1 1 10 CYS CB C 0.230 -3.091 2.068 1.00 . A A . 10 CYS CB 1 1 15 4681 1 1 10 CYS H H 1.561 -4.971 3.121 1.00 . A A . 10 CYS H 1 1 15 4682 1 1 10 CYS HA H 1.018 -2.361 3.918 1.00 . A A . 10 CYS HA 1 1 15 4683 1 1 10 CYS HB3 H -0.725 -2.616 1.898 1.00 . A A . 10 CYS HB3 1 1 15 4684 1 1 10 CYS N N 1.252 -4.410 3.864 1.00 . A A . 10 CYS N 1 1 15 4685 1 1 10 CYS O O -1.209 -4.256 4.953 1.00 . A A . 10 CYS O 1 1 15 4686 1 1 10 CYS SG S 1.499 -2.114 1.200 1.00 . A A . 10 CYS SG 1 1 15 4687 1 1 11 TRP C C -3.801 -3.308 4.502 1.00 . A A . 11 TRP C 1 1 15 4688 1 1 11 TRP CA C -2.942 -2.097 4.846 1.00 . A A . 11 TRP CA 1 1 15 4689 1 1 11 TRP CB C -3.659 -0.812 4.429 1.00 . A A . 11 TRP CB 1 1 15 4690 1 1 11 TRP CD1 C -3.142 0.362 6.649 1.00 . A A . 11 TRP CD1 1 1 15 4691 1 1 11 TRP CD2 C -5.137 0.885 5.773 1.00 . A A . 11 TRP CD2 1 1 15 4692 1 1 11 TRP CE2 C -4.976 1.590 6.982 1.00 . A A . 11 TRP CE2 1 1 15 4693 1 1 11 TRP CE3 C -6.316 1.056 5.045 1.00 . A A . 11 TRP CE3 1 1 15 4694 1 1 11 TRP CG C -3.951 0.105 5.579 1.00 . A A . 11 TRP CG 1 1 15 4695 1 1 11 TRP CH2 C -7.098 2.601 6.741 1.00 . A A . 11 TRP CH2 1 1 15 4696 1 1 11 TRP CZ2 C -5.953 2.452 7.476 1.00 . A A . 11 TRP CZ2 1 1 15 4697 1 1 11 TRP CZ3 C -7.285 1.912 5.536 1.00 . A A . 11 TRP CZ3 1 1 15 4698 1 1 11 TRP H H -1.319 -1.422 3.666 1.00 . A A . 11 TRP H 1 1 15 4699 1 1 11 TRP HA H -2.778 -2.077 5.914 1.00 . A A . 11 TRP HA 1 1 15 4700 1 1 11 TRP HB3 H -4.599 -1.069 3.960 1.00 . A A . 11 TRP HB3 1 1 15 4701 1 1 11 TRP HD1 H -2.168 -0.081 6.794 1.00 . A A . 11 TRP HD1 1 1 15 4702 1 1 11 TRP HE1 H -3.372 1.595 8.334 1.00 . A A . 11 TRP HE1 1 1 15 4703 1 1 11 TRP HE3 H -6.478 0.534 4.113 1.00 . A A . 11 TRP HE3 1 1 15 4704 1 1 11 TRP HH2 H -7.881 3.258 7.087 1.00 . A A . 11 TRP HH2 1 1 15 4705 1 1 11 TRP HZ2 H -5.824 2.991 8.403 1.00 . A A . 11 TRP HZ2 1 1 15 4706 1 1 11 TRP HZ3 H -8.203 2.056 4.986 1.00 . A A . 11 TRP HZ3 1 1 15 4707 1 1 11 TRP N N -1.639 -2.182 4.195 1.00 . A A . 11 TRP N 1 1 15 4708 1 1 11 TRP NE1 N -3.752 1.254 7.496 1.00 . A A . 11 TRP NE1 1 1 15 4709 1 1 11 TRP O O -3.517 -4.074 3.566 1.00 . A A . 11 TRP O 1 1 15 4710 1 1 12 HYP C C -6.613 -4.519 3.797 1.00 . A A . 12 HYP C 1 1 15 4711 1 1 12 HYP CA C -5.810 -4.626 5.082 1.00 . A A . 12 HYP CA 1 1 15 4712 1 1 12 HYP CB C -6.736 -4.543 6.309 1.00 . A A . 12 HYP CB 1 1 15 4713 1 1 12 HYP CD C -5.305 -2.659 6.389 1.00 . A A . 12 HYP CD 1 1 15 4714 1 1 12 HYP CG C -6.019 -3.647 7.252 1.00 . A A . 12 HYP CG 1 1 15 4715 1 1 12 HYP HA H -5.283 -5.570 5.094 1.00 . A A . 12 HYP HA 1 1 15 4716 1 1 12 HYP HB2 H -6.873 -5.527 6.729 1.00 . A A . 12 HYP HB2 1 1 15 4717 1 1 12 HYP HB3 H -7.691 -4.127 6.020 1.00 . A A . 12 HYP HB3 1 1 15 4718 1 1 12 HYP HD1 H -4.828 -5.322 7.469 1.00 . A A . 12 HYP HD1 1 1 15 4719 1 1 12 HYP HD22 H -6.297 -1.992 6.259 1.00 . A A . 12 HYP HD22 1 1 15 4720 1 1 12 HYP HD23 H -4.740 -2.244 7.083 1.00 . A A . 12 HYP HD23 1 1 15 4721 1 1 12 HYP HG H -6.878 -3.481 8.019 1.00 . A A . 12 HYP HG 1 1 15 4722 1 1 12 HYP N N -4.887 -3.502 5.268 1.00 . A A . 12 HYP N 1 1 15 4723 1 1 12 HYP O O -7.414 -3.603 3.612 1.00 . A A . 12 HYP O 1 1 15 4724 1 1 12 HYP OD1 O -5.094 -4.557 8.003 1.00 . A A . 12 HYP OD1 1 1 15 4725 1 1 13 GLY C C -6.336 -4.732 0.547 1.00 . A A . 13 GLY C 1 1 15 4726 1 1 13 GLY CA C -7.090 -5.480 1.630 1.00 . A A . 13 GLY CA 1 1 15 4727 1 1 13 GLY H H -5.738 -6.180 3.101 1.00 . A A . 13 GLY H 1 1 15 4728 1 1 13 GLY HA2 H -7.232 -6.502 1.314 1.00 . A A . 13 GLY HA2 1 1 15 4729 1 1 13 GLY HA3 H -8.056 -5.017 1.764 1.00 . A A . 13 GLY HA3 1 1 15 4730 1 1 13 GLY N N -6.387 -5.473 2.900 1.00 . A A . 13 GLY N 1 1 15 4731 1 1 13 GLY O O -6.891 -4.432 -0.511 1.00 . A A . 13 GLY O 1 1 15 4732 1 1 14 CYS C C -3.039 -4.552 -0.566 1.00 . A A . 14 CYS C 1 1 15 4733 1 1 14 CYS CA C -4.240 -3.709 -0.148 1.00 . A A . 14 CYS CA 1 1 15 4734 1 1 14 CYS CB C -3.764 -2.385 0.452 1.00 . A A . 14 CYS CB 1 1 15 4735 1 1 14 CYS H H -4.684 -4.695 1.672 1.00 . A A . 14 CYS H 1 1 15 4736 1 1 14 CYS HA H -4.841 -3.504 -1.020 1.00 . A A . 14 CYS HA 1 1 15 4737 1 1 14 CYS HB3 H -3.335 -1.778 -0.332 1.00 . A A . 14 CYS HB3 1 1 15 4738 1 1 14 CYS N N -5.070 -4.429 0.811 1.00 . A A . 14 CYS N 1 1 15 4739 1 1 14 CYS O O -2.966 -5.742 -0.261 1.00 . A A . 14 CYS O 1 1 15 4740 1 1 14 CYS SG S -5.082 -1.412 1.248 1.00 . A A . 14 CYS SG 1 1 15 4741 1 1 15 SER C C 0.320 -3.708 -1.645 1.00 . A A . 15 SER C 1 1 15 4742 1 1 15 SER CA C -0.902 -4.618 -1.731 1.00 . A A . 15 SER CA 1 1 15 4743 1 1 15 SER CB C -1.092 -5.102 -3.170 1.00 . A A . 15 SER CB 1 1 15 4744 1 1 15 SER H H -2.215 -2.976 -1.479 1.00 . A A . 15 SER H 1 1 15 4745 1 1 15 SER HA H -0.745 -5.473 -1.090 1.00 . A A . 15 SER HA 1 1 15 4746 1 1 15 SER HB3 H -0.615 -6.063 -3.289 1.00 . A A . 15 SER HB3 1 1 15 4747 1 1 15 SER HG H -2.732 -4.509 -4.063 1.00 . A A . 15 SER HG 1 1 15 4748 1 1 15 SER N N -2.099 -3.926 -1.267 1.00 . A A . 15 SER N 1 1 15 4749 1 1 15 SER O O 0.194 -2.485 -1.570 1.00 . A A . 15 SER O 1 1 15 4750 1 1 15 SER OG O -2.467 -5.230 -3.487 1.00 . A A . 15 SER OG 1 1 15 4751 1 1 16 CYS C C 3.526 -3.661 -2.891 1.00 . A A . 16 CYS C 1 1 15 4752 1 1 16 CYS CA C 2.748 -3.560 -1.582 1.00 . A A . 16 CYS CA 1 1 15 4753 1 1 16 CYS CB C 3.608 -4.071 -0.424 1.00 . A A . 16 CYS CB 1 1 15 4754 1 1 16 CYS H H 1.539 -5.292 -1.720 1.00 . A A . 16 CYS H 1 1 15 4755 1 1 16 CYS HA H 2.500 -2.524 -1.404 1.00 . A A . 16 CYS HA 1 1 15 4756 1 1 16 CYS HB3 H 4.162 -4.937 -0.752 1.00 . A A . 16 CYS HB3 1 1 15 4757 1 1 16 CYS N N 1.503 -4.313 -1.658 1.00 . A A . 16 CYS N 1 1 15 4758 1 1 16 CYS O O 4.129 -4.693 -3.188 1.00 . A A . 16 CYS O 1 1 15 4759 1 1 16 CYS SG S 4.804 -2.852 0.209 1.00 . A A . 16 CYS SG 1 1 15 4760 1 1 17 TYR C C 5.192 -1.386 -4.998 1.00 . A A . 17 TYR C 1 1 15 4761 1 1 17 TYR CA C 4.210 -2.552 -4.946 1.00 . A A . 17 TYR CA 1 1 15 4762 1 1 17 TYR CB C 3.210 -2.443 -6.098 1.00 . A A . 17 TYR CB 1 1 15 4763 1 1 17 TYR CD1 C 4.584 -3.472 -7.950 1.00 . A A . 17 TYR CD1 1 1 15 4764 1 1 17 TYR CD2 C 3.754 -1.260 -8.261 1.00 . A A . 17 TYR CD2 1 1 15 4765 1 1 17 TYR CE1 C 5.180 -3.429 -9.195 1.00 . A A . 17 TYR CE1 1 1 15 4766 1 1 17 TYR CE2 C 4.346 -1.208 -9.508 1.00 . A A . 17 TYR CE2 1 1 15 4767 1 1 17 TYR CG C 3.861 -2.390 -7.462 1.00 . A A . 17 TYR CG 1 1 15 4768 1 1 17 TYR CZ C 5.058 -2.295 -9.970 1.00 . A A . 17 TYR CZ 1 1 15 4769 1 1 17 TYR H H 3.011 -1.792 -3.376 1.00 . A A . 17 TYR H 1 1 15 4770 1 1 17 TYR HA H 4.760 -3.476 -5.045 1.00 . A A . 17 TYR HA 1 1 15 4771 1 1 17 TYR HB3 H 2.625 -1.543 -5.974 1.00 . A A . 17 TYR HB3 1 1 15 4772 1 1 17 TYR HD1 H 4.677 -4.359 -7.341 1.00 . A A . 17 TYR HD1 1 1 15 4773 1 1 17 TYR HD2 H 3.197 -0.409 -7.895 1.00 . A A . 17 TYR HD2 1 1 15 4774 1 1 17 TYR HE1 H 5.738 -4.279 -9.557 1.00 . A A . 17 TYR HE1 1 1 15 4775 1 1 17 TYR HE2 H 4.252 -0.319 -10.115 1.00 . A A . 17 TYR HE2 1 1 15 4776 1 1 17 TYR HH H 6.206 -1.464 -11.271 1.00 . A A . 17 TYR HH 1 1 15 4777 1 1 17 TYR N N 3.508 -2.584 -3.668 1.00 . A A . 17 TYR N 1 1 15 4778 1 1 17 TYR O O 4.832 -0.242 -4.720 1.00 . A A . 17 TYR O 1 1 15 4779 1 1 17 TYR OH O 5.651 -2.246 -11.211 1.00 . A A . 17 TYR OH 1 1 15 4780 1 1 18 ALA C C 7.773 -0.061 -4.081 1.00 . A A . 18 ALA C 1 1 15 4781 1 1 18 ALA CA C 7.472 -0.662 -5.450 1.00 . A A . 18 ALA CA 1 1 15 4782 1 1 18 ALA CB C 7.053 0.426 -6.426 1.00 . A A . 18 ALA CB 1 1 15 4783 1 1 18 ALA H H 6.663 -2.614 -5.567 1.00 . A A . 18 ALA H 1 1 15 4784 1 1 18 ALA HA H 8.368 -1.129 -5.833 1.00 . A A . 18 ALA HA 1 1 15 4785 1 1 18 ALA HB1 H 7.934 0.893 -6.844 1.00 . A A . 18 ALA HB1 1 1 15 4786 1 1 18 ALA HB2 H 6.465 -0.009 -7.221 1.00 . A A . 18 ALA HB2 1 1 15 4787 1 1 18 ALA HB3 H 6.463 1.168 -5.908 1.00 . A A . 18 ALA HB3 1 1 15 4788 1 1 18 ALA N N 6.437 -1.685 -5.358 1.00 . A A . 18 ALA N 1 1 15 4789 1 1 18 ALA O O 7.818 1.160 -3.926 1.00 . A A . 18 ALA O 1 1 15 4790 1 1 19 ARG C C 7.243 0.544 -1.265 1.00 . A A . 19 ARG C 1 1 15 4791 1 1 19 ARG CA C 8.273 -0.478 -1.737 1.00 . A A . 19 ARG CA 1 1 15 4792 1 1 19 ARG CB C 9.676 0.129 -1.671 1.00 . A A . 19 ARG CB 1 1 15 4793 1 1 19 ARG CD C 11.802 -0.589 -0.540 1.00 . A A . 19 ARG CD 1 1 15 4794 1 1 19 ARG CG C 10.786 -0.908 -1.624 1.00 . A A . 19 ARG CG 1 1 15 4795 1 1 19 ARG CZ C 11.986 -0.699 1.909 1.00 . A A . 19 ARG CZ 1 1 15 4796 1 1 19 ARG H H 7.929 -1.886 -3.279 1.00 . A A . 19 ARG H 1 1 15 4797 1 1 19 ARG HA H 8.232 -1.338 -1.087 1.00 . A A . 19 ARG HA 1 1 15 4798 1 1 19 ARG HB3 H 9.749 0.742 -0.785 1.00 . A A . 19 ARG HB3 1 1 15 4799 1 1 19 ARG HD3 H 12.021 0.468 -0.570 1.00 . A A . 19 ARG HD3 1 1 15 4800 1 1 19 ARG HE H 10.430 -1.362 0.852 1.00 . A A . 19 ARG HE 1 1 15 4801 1 1 19 ARG HG3 H 11.287 -0.928 -2.581 1.00 . A A . 19 ARG HG3 1 1 15 4802 1 1 19 ARG HH11 H 13.569 0.140 0.975 1.00 . A A . 19 ARG HH11 1 1 15 4803 1 1 19 ARG HH12 H 13.685 0.056 2.702 1.00 . A A . 19 ARG HH12 1 1 15 4804 1 1 19 ARG HH21 H 10.572 -1.477 3.126 1.00 . A A . 19 ARG HH21 1 1 15 4805 1 1 19 ARG HH22 H 11.980 -0.865 3.924 1.00 . A A . 19 ARG HH22 1 1 15 4806 1 1 19 ARG N N 7.978 -0.925 -3.093 1.00 . A A . 19 ARG N 1 1 15 4807 1 1 19 ARG NE N 11.310 -0.934 0.791 1.00 . A A . 19 ARG NE 1 1 15 4808 1 1 19 ARG NH1 N 13.178 -0.121 1.858 1.00 . A A . 19 ARG NH1 1 1 15 4809 1 1 19 ARG NH2 N 11.471 -1.042 3.083 1.00 . A A . 19 ARG NH2 1 1 15 4810 1 1 19 ARG O O 7.547 1.422 -0.455 1.00 . A A . 19 ARG O 1 1 15 4811 1 1 20 THR C C 3.589 0.651 -1.490 1.00 . A A . 20 THR C 1 1 15 4812 1 1 20 THR CA C 4.947 1.340 -1.410 1.00 . A A . 20 THR CA 1 1 15 4813 1 1 20 THR CB C 4.934 2.584 -2.317 1.00 . A A . 20 THR CB 1 1 15 4814 1 1 20 THR CG2 C 4.294 3.766 -1.604 1.00 . A A . 20 THR CG2 1 1 15 4815 1 1 20 THR H H 5.841 -0.294 -2.417 1.00 . A A . 20 THR H 1 1 15 4816 1 1 20 THR HA H 5.117 1.662 -0.393 1.00 . A A . 20 THR HA 1 1 15 4817 1 1 20 THR HB H 4.355 2.360 -3.202 1.00 . A A . 20 THR HB 1 1 15 4818 1 1 20 THR HG1 H 6.288 3.132 -3.642 1.00 . A A . 20 THR HG1 1 1 15 4819 1 1 20 THR HG21 H 3.297 3.921 -1.989 1.00 . A A . 20 THR HG21 1 1 15 4820 1 1 20 THR HG22 H 4.886 4.653 -1.773 1.00 . A A . 20 THR HG22 1 1 15 4821 1 1 20 THR HG23 H 4.242 3.563 -0.545 1.00 . A A . 20 THR HG23 1 1 15 4822 1 1 20 THR N N 6.022 0.426 -1.777 1.00 . A A . 20 THR N 1 1 15 4823 1 1 20 THR O O 3.460 -0.423 -2.078 1.00 . A A . 20 THR O 1 1 15 4824 1 1 20 THR OG1 O 6.270 2.922 -2.705 1.00 . A A . 20 THR OG1 1 1 15 4825 1 1 21 CYS C C 0.344 1.463 -1.902 1.00 . A A . 21 CYS C 1 1 15 4826 1 1 21 CYS CA C 1.229 0.726 -0.901 1.00 . A A . 21 CYS CA 1 1 15 4827 1 1 21 CYS CB C 0.616 0.811 0.499 1.00 . A A . 21 CYS CB 1 1 15 4828 1 1 21 CYS H H 2.744 2.131 -0.443 1.00 . A A . 21 CYS H 1 1 15 4829 1 1 21 CYS HA H 1.295 -0.311 -1.192 1.00 . A A . 21 CYS HA 1 1 15 4830 1 1 21 CYS HB3 H -0.414 0.490 0.452 1.00 . A A . 21 CYS HB3 1 1 15 4831 1 1 21 CYS N N 2.578 1.277 -0.896 1.00 . A A . 21 CYS N 1 1 15 4832 1 1 21 CYS O O 0.513 2.660 -2.133 1.00 . A A . 21 CYS O 1 1 15 4833 1 1 21 CYS SG S 1.461 -0.216 1.744 1.00 . A A . 21 CYS SG 1 1 15 4834 1 1 22 PHE C C -2.771 0.470 -3.616 1.00 . A A . 22 PHE C 1 1 15 4835 1 1 22 PHE CA C -1.514 1.322 -3.469 1.00 . A A . 22 PHE CA 1 1 15 4836 1 1 22 PHE CB C -0.819 1.466 -4.825 1.00 . A A . 22 PHE CB 1 1 15 4837 1 1 22 PHE CD1 C -0.608 3.941 -5.183 1.00 . A A . 22 PHE CD1 1 1 15 4838 1 1 22 PHE CD2 C -2.082 2.713 -6.599 1.00 . A A . 22 PHE CD2 1 1 15 4839 1 1 22 PHE CE1 C -0.936 5.106 -5.850 1.00 . A A . 22 PHE CE1 1 1 15 4840 1 1 22 PHE CE2 C -2.414 3.875 -7.269 1.00 . A A . 22 PHE CE2 1 1 15 4841 1 1 22 PHE CG C -1.177 2.732 -5.550 1.00 . A A . 22 PHE CG 1 1 15 4842 1 1 22 PHE CZ C -1.839 5.073 -6.894 1.00 . A A . 22 PHE CZ 1 1 15 4843 1 1 22 PHE H H -0.687 -0.212 -2.267 1.00 . A A . 22 PHE H 1 1 15 4844 1 1 22 PHE HA H -1.797 2.301 -3.113 1.00 . A A . 22 PHE HA 1 1 15 4845 1 1 22 PHE HB3 H -1.095 0.633 -5.452 1.00 . A A . 22 PHE HB3 1 1 15 4846 1 1 22 PHE HD1 H 0.099 3.968 -4.368 1.00 . A A . 22 PHE HD1 1 1 15 4847 1 1 22 PHE HD2 H -2.532 1.774 -6.894 1.00 . A A . 22 PHE HD2 1 1 15 4848 1 1 22 PHE HE1 H -0.486 6.041 -5.554 1.00 . A A . 22 PHE HE1 1 1 15 4849 1 1 22 PHE HE2 H -3.120 3.846 -8.085 1.00 . A A . 22 PHE HE2 1 1 15 4850 1 1 22 PHE HZ H -2.098 5.983 -7.415 1.00 . A A . 22 PHE HZ 1 1 15 4851 1 1 22 PHE N N -0.602 0.738 -2.493 1.00 . A A . 22 PHE N 1 1 15 4852 1 1 22 PHE O O -2.710 -0.758 -3.568 1.00 . A A . 22 PHE O 1 1 15 4853 1 1 23 ARG C C -5.963 0.987 -5.138 1.00 . A A . 23 ARG C 1 1 15 4854 1 1 23 ARG CA C -5.181 0.436 -3.949 1.00 . A A . 23 ARG CA 1 1 15 4855 1 1 23 ARG CB C -6.015 0.568 -2.673 1.00 . A A . 23 ARG CB 1 1 15 4856 1 1 23 ARG CD C -7.270 2.196 -1.226 1.00 . A A . 23 ARG CD 1 1 15 4857 1 1 23 ARG CG C -6.052 1.980 -2.112 1.00 . A A . 23 ARG CG 1 1 15 4858 1 1 23 ARG CZ C -9.536 3.134 -1.395 1.00 . A A . 23 ARG CZ 1 1 15 4859 1 1 23 ARG H H -3.894 2.112 -3.825 1.00 . A A . 23 ARG H 1 1 15 4860 1 1 23 ARG HA H -4.969 -0.608 -4.124 1.00 . A A . 23 ARG HA 1 1 15 4861 1 1 23 ARG HB3 H -5.602 -0.085 -1.918 1.00 . A A . 23 ARG HB3 1 1 15 4862 1 1 23 ARG HD3 H -6.989 2.832 -0.401 1.00 . A A . 23 ARG HD3 1 1 15 4863 1 1 23 ARG HE H -8.236 3.014 -2.903 1.00 . A A . 23 ARG HE 1 1 15 4864 1 1 23 ARG HG3 H -6.086 2.682 -2.933 1.00 . A A . 23 ARG HG3 1 1 15 4865 1 1 23 ARG HH11 H -9.030 2.457 0.440 1.00 . A A . 23 ARG HH11 1 1 15 4866 1 1 23 ARG HH12 H -10.624 3.121 0.308 1.00 . A A . 23 ARG HH12 1 1 15 4867 1 1 23 ARG HH21 H -10.334 3.891 -3.090 1.00 . A A . 23 ARG HH21 1 1 15 4868 1 1 23 ARG HH22 H -11.365 3.936 -1.701 1.00 . A A . 23 ARG HH22 1 1 15 4869 1 1 23 ARG N N -3.909 1.132 -3.795 1.00 . A A . 23 ARG N 1 1 15 4870 1 1 23 ARG NE N -8.372 2.820 -1.953 1.00 . A A . 23 ARG NE 1 1 15 4871 1 1 23 ARG NH1 N -9.748 2.883 -0.110 1.00 . A A . 23 ARG NH1 1 1 15 4872 1 1 23 ARG NH2 N -10.490 3.701 -2.122 1.00 . A A . 23 ARG NH2 1 1 15 4873 1 1 23 ARG O O -7.192 0.934 -5.164 1.00 . A A . 23 ARG O 1 1 15 4874 1 1 24 ASP C C -6.666 3.327 -6.971 1.00 . A A . 24 ASP C 1 1 15 4875 1 1 24 ASP CA C -5.865 2.074 -7.313 1.00 . A A . 24 ASP CA 1 1 15 4876 1 1 24 ASP CB C -6.775 1.037 -7.973 1.00 . A A . 24 ASP CB 1 1 15 4877 1 1 24 ASP CG C -6.233 -0.373 -7.845 1.00 . A A . 24 ASP CG 1 1 15 4878 1 1 24 ASP H H -4.263 1.527 -6.042 1.00 . A A . 24 ASP H 1 1 15 4879 1 1 24 ASP HA H -5.080 2.342 -8.004 1.00 . A A . 24 ASP HA 1 1 15 4880 1 1 24 ASP HB3 H -6.875 1.270 -9.023 1.00 . A A . 24 ASP HB3 1 1 15 4881 1 1 24 ASP N N -5.240 1.514 -6.120 1.00 . A A . 24 ASP N 1 1 15 4882 1 1 24 ASP O O -7.414 3.349 -5.995 1.00 . A A . 24 ASP O 1 1 15 4883 1 1 24 ASP OD1 O -5.253 -0.699 -8.546 1.00 . A A . 24 ASP OD1 1 1 15 4884 1 1 24 ASP OD2 O -6.789 -1.151 -7.041 1.00 . A A . 24 ASP OD2 1 1 15 4885 1 1 25 GLY C C -6.441 6.564 -6.657 1.00 . A A . 25 GLY C 1 1 15 4886 1 1 25 GLY CA C -7.214 5.610 -7.546 1.00 . A A . 25 GLY CA 1 1 15 4887 1 1 25 GLY H H -5.891 4.292 -8.545 1.00 . A A . 25 GLY H 1 1 15 4888 1 1 25 GLY HA2 H -7.401 6.090 -8.495 1.00 . A A . 25 GLY HA2 1 1 15 4889 1 1 25 GLY HA3 H -8.160 5.385 -7.076 1.00 . A A . 25 GLY HA3 1 1 15 4890 1 1 25 GLY N N -6.502 4.368 -7.781 1.00 . A A . 25 GLY N 1 1 15 4891 1 1 25 GLY O O -6.244 7.728 -7.006 1.00 . A A . 25 GLY O 1 1 15 4892 1 1 26 LEU C C -4.218 6.044 -3.813 1.00 . A A . 26 LEU C 1 1 15 4893 1 1 26 LEU CA C -5.248 6.887 -4.560 1.00 . A A . 26 LEU CA 1 1 15 4894 1 1 26 LEU CB C -6.194 7.558 -3.564 1.00 . A A . 26 LEU CB 1 1 15 4895 1 1 26 LEU CD1 C -8.492 8.429 -3.067 1.00 . A A . 26 LEU CD1 1 1 15 4896 1 1 26 LEU CD2 C -7.127 9.476 -4.883 1.00 . A A . 26 LEU CD2 1 1 15 4897 1 1 26 LEU CG C -7.460 8.181 -4.156 1.00 . A A . 26 LEU CG 1 1 15 4898 1 1 26 LEU H H -6.191 5.135 -5.280 1.00 . A A . 26 LEU H 1 1 15 4899 1 1 26 LEU HA H -4.731 7.650 -5.123 1.00 . A A . 26 LEU HA 1 1 15 4900 1 1 26 LEU HB3 H -5.644 8.341 -3.061 1.00 . A A . 26 LEU HB3 1 1 15 4901 1 1 26 LEU HD11 H -7.992 8.561 -2.120 1.00 . A A . 26 LEU HD11 1 1 15 4902 1 1 26 LEU HD12 H -9.161 7.584 -3.007 1.00 . A A . 26 LEU HD12 1 1 15 4903 1 1 26 LEU HD13 H -9.058 9.319 -3.303 1.00 . A A . 26 LEU HD13 1 1 15 4904 1 1 26 LEU HD21 H -7.587 9.468 -5.860 1.00 . A A . 26 LEU HD21 1 1 15 4905 1 1 26 LEU HD22 H -6.056 9.563 -4.990 1.00 . A A . 26 LEU HD22 1 1 15 4906 1 1 26 LEU HD23 H -7.502 10.315 -4.315 1.00 . A A . 26 LEU HD23 1 1 15 4907 1 1 26 LEU HG H -7.890 7.494 -4.873 1.00 . A A . 26 LEU HG 1 1 15 4908 1 1 26 LEU N N -6.003 6.071 -5.504 1.00 . A A . 26 LEU N 1 1 15 4909 1 1 26 LEU O O -4.384 4.839 -3.627 1.00 . A A . 26 LEU O 1 1 15 4910 1 1 27 PRO C C -2.489 5.597 -1.235 1.00 . A A . 27 PRO C 1 1 15 4911 1 1 27 PRO CA C -2.056 6.024 -2.633 1.00 . A A . 27 PRO CA 1 1 15 4912 1 1 27 PRO CB C -0.964 7.093 -2.551 1.00 . A A . 27 PRO CB 1 1 15 4913 1 1 27 PRO CD C -2.869 8.130 -3.555 1.00 . A A . 27 PRO CD 1 1 15 4914 1 1 27 PRO CG C -1.693 8.388 -2.654 1.00 . A A . 27 PRO CG 1 1 15 4915 1 1 27 PRO HA H -1.681 5.165 -3.171 1.00 . A A . 27 PRO HA 1 1 15 4916 1 1 27 PRO HB3 H -0.267 6.966 -3.366 1.00 . A A . 27 PRO HB3 1 1 15 4917 1 1 27 PRO HD3 H -2.611 8.346 -4.582 1.00 . A A . 27 PRO HD3 1 1 15 4918 1 1 27 PRO HG3 H -1.047 9.139 -3.086 1.00 . A A . 27 PRO HG3 1 1 15 4919 1 1 27 PRO N N -3.132 6.694 -3.370 1.00 . A A . 27 PRO N 1 1 15 4920 1 1 27 PRO O O -1.685 5.576 -0.304 1.00 . A A . 27 PRO O 1 1 16 4921 1 1 1 SER C C -3.091 4.522 -0.434 1.00 . A A . 1 SER C 1 1 16 4922 1 1 1 SER CA C -2.431 5.282 -1.581 1.00 . A A . 1 SER CA 1 1 16 4923 1 1 1 SER CB C -3.061 6.670 -1.716 1.00 . A A . 1 SER CB 1 1 16 4924 1 1 1 SER H1 H -3.448 4.418 -3.225 1.00 . A A . 1 SER H1 1 1 16 4925 1 1 1 SER HA H -1.379 5.393 -1.367 1.00 . A A . 1 SER HA 1 1 16 4926 1 1 1 SER HB3 H -2.677 7.152 -2.604 1.00 . A A . 1 SER HB3 1 1 16 4927 1 1 1 SER HG H -4.868 6.802 -0.971 1.00 . A A . 1 SER HG 1 1 16 4928 1 1 1 SER N N -2.559 4.545 -2.833 1.00 . A A . 1 SER N 1 1 16 4929 1 1 1 SER O O -4.316 4.460 -0.338 1.00 . A A . 1 SER O 1 1 16 4930 1 1 1 SER OG O -4.472 6.583 -1.817 1.00 . A A . 1 SER OG 1 1 16 4931 1 1 2 CYS C C -1.892 3.418 2.806 1.00 . A A . 2 CYS C 1 1 16 4932 1 1 2 CYS CA C -2.767 3.189 1.576 1.00 . A A . 2 CYS CA 1 1 16 4933 1 1 2 CYS CB C -2.816 1.697 1.243 1.00 . A A . 2 CYS CB 1 1 16 4934 1 1 2 CYS H H -1.298 4.031 0.305 1.00 . A A . 2 CYS H 1 1 16 4935 1 1 2 CYS HA H -3.766 3.534 1.792 1.00 . A A . 2 CYS HA 1 1 16 4936 1 1 2 CYS HB3 H -2.010 1.194 1.758 1.00 . A A . 2 CYS HB3 1 1 16 4937 1 1 2 CYS N N -2.267 3.946 0.435 1.00 . A A . 2 CYS N 1 1 16 4938 1 1 2 CYS O O -1.035 4.301 2.815 1.00 . A A . 2 CYS O 1 1 16 4939 1 1 2 CYS SG S -4.374 0.880 1.718 1.00 . A A . 2 CYS SG 1 1 16 4940 1 1 3 GLY C C -0.575 1.482 5.401 1.00 . A A . 3 GLY C 1 1 16 4941 1 1 3 GLY CA C -1.340 2.746 5.063 1.00 . A A . 3 GLY CA 1 1 16 4942 1 1 3 GLY H H -2.811 1.928 3.778 1.00 . A A . 3 GLY H 1 1 16 4943 1 1 3 GLY HA2 H -0.638 3.557 4.944 1.00 . A A . 3 GLY HA2 1 1 16 4944 1 1 3 GLY HA3 H -2.010 2.977 5.877 1.00 . A A . 3 GLY HA3 1 1 16 4945 1 1 3 GLY N N -2.115 2.615 3.842 1.00 . A A . 3 GLY N 1 1 16 4946 1 1 3 GLY O O -0.159 0.742 4.511 1.00 . A A . 3 GLY O 1 1 16 4947 1 1 4 GLY C C 1.777 0.052 6.665 1.00 . A A . 4 GLY C 1 1 16 4948 1 1 4 GLY CA C 0.333 0.050 7.126 1.00 . A A . 4 GLY CA 1 1 16 4949 1 1 4 GLY H H -0.744 1.859 7.360 1.00 . A A . 4 GLY H 1 1 16 4950 1 1 4 GLY HA2 H 0.310 0.002 8.205 1.00 . A A . 4 GLY HA2 1 1 16 4951 1 1 4 GLY HA3 H -0.159 -0.823 6.726 1.00 . A A . 4 GLY HA3 1 1 16 4952 1 1 4 GLY N N -0.388 1.234 6.695 1.00 . A A . 4 GLY N 1 1 16 4953 1 1 4 GLY O O 2.237 1.010 6.045 1.00 . A A . 4 GLY O 1 1 16 4954 1 1 5 SER C C 4.097 -2.288 5.601 1.00 . A A . 5 SER C 1 1 16 4955 1 1 5 SER CA C 3.897 -1.142 6.587 1.00 . A A . 5 SER CA 1 1 16 4956 1 1 5 SER CB C 4.769 -1.361 7.825 1.00 . A A . 5 SER CB 1 1 16 4957 1 1 5 SER H H 2.071 -1.757 7.466 1.00 . A A . 5 SER H 1 1 16 4958 1 1 5 SER HA H 4.189 -0.218 6.111 1.00 . A A . 5 SER HA 1 1 16 4959 1 1 5 SER HB3 H 5.270 -2.315 7.745 1.00 . A A . 5 SER HB3 1 1 16 4960 1 1 5 SER HG H 6.454 -0.645 8.520 1.00 . A A . 5 SER HG 1 1 16 4961 1 1 5 SER N N 2.495 -1.024 6.970 1.00 . A A . 5 SER N 1 1 16 4962 1 1 5 SER O O 3.339 -3.259 5.596 1.00 . A A . 5 SER O 1 1 16 4963 1 1 5 SER OG O 5.745 -0.342 7.950 1.00 . A A . 5 SER OG 1 1 16 4964 1 1 6 CYS C C 6.174 -4.361 4.406 1.00 . A A . 6 CYS C 1 1 16 4965 1 1 6 CYS CA C 5.425 -3.193 3.772 1.00 . A A . 6 CYS CA 1 1 16 4966 1 1 6 CYS CB C 6.255 -2.600 2.632 1.00 . A A . 6 CYS CB 1 1 16 4967 1 1 6 CYS H H 5.692 -1.372 4.816 1.00 . A A . 6 CYS H 1 1 16 4968 1 1 6 CYS HA H 4.489 -3.555 3.374 1.00 . A A . 6 CYS HA 1 1 16 4969 1 1 6 CYS HB3 H 6.884 -3.372 2.215 1.00 . A A . 6 CYS HB3 1 1 16 4970 1 1 6 CYS N N 5.123 -2.169 4.765 1.00 . A A . 6 CYS N 1 1 16 4971 1 1 6 CYS O O 6.159 -5.478 3.887 1.00 . A A . 6 CYS O 1 1 16 4972 1 1 6 CYS SG S 5.262 -1.898 1.276 1.00 . A A . 6 CYS SG 1 1 16 4973 1 1 7 PHE C C 6.644 -6.133 6.897 1.00 . A A . 7 PHE C 1 1 16 4974 1 1 7 PHE CA C 7.582 -5.125 6.238 1.00 . A A . 7 PHE CA 1 1 16 4975 1 1 7 PHE CB C 8.488 -4.489 7.295 1.00 . A A . 7 PHE CB 1 1 16 4976 1 1 7 PHE CD1 C 10.708 -5.641 7.083 1.00 . A A . 7 PHE CD1 1 1 16 4977 1 1 7 PHE CD2 C 9.391 -6.065 9.027 1.00 . A A . 7 PHE CD2 1 1 16 4978 1 1 7 PHE CE1 C 11.685 -6.495 7.556 1.00 . A A . 7 PHE CE1 1 1 16 4979 1 1 7 PHE CE2 C 10.367 -6.919 9.505 1.00 . A A . 7 PHE CE2 1 1 16 4980 1 1 7 PHE CG C 9.550 -5.417 7.812 1.00 . A A . 7 PHE CG 1 1 16 4981 1 1 7 PHE CZ C 11.515 -7.134 8.769 1.00 . A A . 7 PHE CZ 1 1 16 4982 1 1 7 PHE H H 6.801 -3.188 5.898 1.00 . A A . 7 PHE H 1 1 16 4983 1 1 7 PHE HA H 8.195 -5.641 5.515 1.00 . A A . 7 PHE HA 1 1 16 4984 1 1 7 PHE HB3 H 7.885 -4.173 8.133 1.00 . A A . 7 PHE HB3 1 1 16 4985 1 1 7 PHE HD1 H 10.842 -5.141 6.135 1.00 . A A . 7 PHE HD1 1 1 16 4986 1 1 7 PHE HD2 H 8.493 -5.897 9.603 1.00 . A A . 7 PHE HD2 1 1 16 4987 1 1 7 PHE HE1 H 12.584 -6.661 6.979 1.00 . A A . 7 PHE HE1 1 1 16 4988 1 1 7 PHE HE2 H 10.230 -7.418 10.453 1.00 . A A . 7 PHE HE2 1 1 16 4989 1 1 7 PHE HZ H 12.278 -7.802 9.140 1.00 . A A . 7 PHE HZ 1 1 16 4990 1 1 7 PHE N N 6.827 -4.096 5.533 1.00 . A A . 7 PHE N 1 1 16 4991 1 1 7 PHE O O 7.055 -7.234 7.261 1.00 . A A . 7 PHE O 1 1 16 4992 1 1 8 GLY C C 3.105 -6.684 6.884 1.00 . A A . 8 GLY C 1 1 16 4993 1 1 8 GLY CA C 4.404 -6.626 7.663 1.00 . A A . 8 GLY CA 1 1 16 4994 1 1 8 GLY H H 5.110 -4.857 6.738 1.00 . A A . 8 GLY H 1 1 16 4995 1 1 8 GLY HA2 H 4.820 -7.621 7.725 1.00 . A A . 8 GLY HA2 1 1 16 4996 1 1 8 GLY HA3 H 4.196 -6.271 8.661 1.00 . A A . 8 GLY HA3 1 1 16 4997 1 1 8 GLY N N 5.381 -5.746 7.047 1.00 . A A . 8 GLY N 1 1 16 4998 1 1 8 GLY O O 2.058 -7.026 7.434 1.00 . A A . 8 GLY O 1 1 16 4999 1 1 9 GLY C C 1.253 -5.040 4.764 1.00 . A A . 9 GLY C 1 1 16 5000 1 1 9 GLY CA C 1.983 -6.368 4.766 1.00 . A A . 9 GLY CA 1 1 16 5001 1 1 9 GLY H H 4.033 -6.084 5.215 1.00 . A A . 9 GLY H 1 1 16 5002 1 1 9 GLY HA2 H 2.271 -6.609 3.753 1.00 . A A . 9 GLY HA2 1 1 16 5003 1 1 9 GLY HA3 H 1.314 -7.133 5.130 1.00 . A A . 9 GLY HA3 1 1 16 5004 1 1 9 GLY N N 3.170 -6.348 5.599 1.00 . A A . 9 GLY N 1 1 16 5005 1 1 9 GLY O O 1.037 -4.440 5.818 1.00 . A A . 9 GLY O 1 1 16 5006 1 1 10 CYS C C -1.197 -3.371 4.134 1.00 . A A . 10 CYS C 1 1 16 5007 1 1 10 CYS CA C 0.163 -3.311 3.443 1.00 . A A . 10 CYS CA 1 1 16 5008 1 1 10 CYS CB C -0.020 -2.959 1.965 1.00 . A A . 10 CYS CB 1 1 16 5009 1 1 10 CYS H H 1.072 -5.101 2.773 1.00 . A A . 10 CYS H 1 1 16 5010 1 1 10 CYS HA H 0.758 -2.545 3.916 1.00 . A A . 10 CYS HA 1 1 16 5011 1 1 10 CYS HB3 H -0.941 -2.408 1.845 1.00 . A A . 10 CYS HB3 1 1 16 5012 1 1 10 CYS N N 0.871 -4.577 3.579 1.00 . A A . 10 CYS N 1 1 16 5013 1 1 10 CYS O O -1.621 -4.429 4.599 1.00 . A A . 10 CYS O 1 1 16 5014 1 1 10 CYS SG S 1.328 -1.949 1.271 1.00 . A A . 10 CYS SG 1 1 16 5015 1 1 11 TRP C C -4.120 -3.226 4.277 1.00 . A A . 11 TRP C 1 1 16 5016 1 1 11 TRP CA C -3.186 -2.154 4.829 1.00 . A A . 11 TRP CA 1 1 16 5017 1 1 11 TRP CB C -3.797 -0.768 4.617 1.00 . A A . 11 TRP CB 1 1 16 5018 1 1 11 TRP CD1 C -3.180 0.039 6.970 1.00 . A A . 11 TRP CD1 1 1 16 5019 1 1 11 TRP CD2 C -5.155 0.789 6.228 1.00 . A A . 11 TRP CD2 1 1 16 5020 1 1 11 TRP CE2 C -4.937 1.301 7.521 1.00 . A A . 11 TRP CE2 1 1 16 5021 1 1 11 TRP CE3 C -6.335 1.129 5.559 1.00 . A A . 11 TRP CE3 1 1 16 5022 1 1 11 TRP CG C -4.019 -0.015 5.894 1.00 . A A . 11 TRP CG 1 1 16 5023 1 1 11 TRP CH2 C -7.003 2.448 7.480 1.00 . A A . 11 TRP CH2 1 1 16 5024 1 1 11 TRP CZ2 C -5.855 2.133 8.157 1.00 . A A . 11 TRP CZ2 1 1 16 5025 1 1 11 TRP CZ3 C -7.246 1.953 6.192 1.00 . A A . 11 TRP CZ3 1 1 16 5026 1 1 11 TRP H H -1.483 -1.421 3.806 1.00 . A A . 11 TRP H 1 1 16 5027 1 1 11 TRP HA H -3.052 -2.321 5.887 1.00 . A A . 11 TRP HA 1 1 16 5028 1 1 11 TRP HB3 H -4.752 -0.876 4.122 1.00 . A A . 11 TRP HB3 1 1 16 5029 1 1 11 TRP HD1 H -2.230 -0.471 7.026 1.00 . A A . 11 TRP HD1 1 1 16 5030 1 1 11 TRP HE1 H -3.313 1.023 8.820 1.00 . A A . 11 TRP HE1 1 1 16 5031 1 1 11 TRP HE3 H -6.540 0.756 4.566 1.00 . A A . 11 TRP HE3 1 1 16 5032 1 1 11 TRP HH2 H -7.741 3.088 7.936 1.00 . A A . 11 TRP HH2 1 1 16 5033 1 1 11 TRP HZ2 H -5.682 2.523 9.149 1.00 . A A . 11 TRP HZ2 1 1 16 5034 1 1 11 TRP HZ3 H -8.163 2.225 5.691 1.00 . A A . 11 TRP HZ3 1 1 16 5035 1 1 11 TRP N N -1.874 -2.231 4.195 1.00 . A A . 11 TRP N 1 1 16 5036 1 1 11 TRP NE1 N -3.726 0.829 7.952 1.00 . A A . 11 TRP NE1 1 1 16 5037 1 1 11 TRP O O -3.833 -3.895 3.268 1.00 . A A . 11 TRP O 1 1 16 5038 1 1 12 HYP C C -6.966 -4.064 3.243 1.00 . A A . 12 HYP C 1 1 16 5039 1 1 12 HYP CA C -6.274 -4.406 4.552 1.00 . A A . 12 HYP CA 1 1 16 5040 1 1 12 HYP CB C -7.279 -4.384 5.718 1.00 . A A . 12 HYP CB 1 1 16 5041 1 1 12 HYP CD C -5.698 -2.672 6.132 1.00 . A A . 12 HYP CD 1 1 16 5042 1 1 12 HYP CG C -6.559 -3.685 6.812 1.00 . A A . 12 HYP CG 1 1 16 5043 1 1 12 HYP HA H -5.834 -5.389 4.475 1.00 . A A . 12 HYP HA 1 1 16 5044 1 1 12 HYP HB2 H -7.533 -5.396 5.998 1.00 . A A . 12 HYP HB2 1 1 16 5045 1 1 12 HYP HB3 H -8.169 -3.847 5.426 1.00 . A A . 12 HYP HB3 1 1 16 5046 1 1 12 HYP HD1 H -5.541 -5.478 6.889 1.00 . A A . 12 HYP HD1 1 1 16 5047 1 1 12 HYP HD22 H -6.600 -1.896 6.020 1.00 . A A . 12 HYP HD22 1 1 16 5048 1 1 12 HYP HD23 H -5.140 -2.401 6.902 1.00 . A A . 12 HYP HD23 1 1 16 5049 1 1 12 HYP HG H -7.448 -3.519 7.537 1.00 . A A . 12 HYP HG 1 1 16 5050 1 1 12 HYP N N -5.273 -3.407 4.941 1.00 . A A . 12 HYP N 1 1 16 5051 1 1 12 HYP O O -7.661 -3.056 3.126 1.00 . A A . 12 HYP O 1 1 16 5052 1 1 12 HYP OD1 O -5.776 -4.761 7.497 1.00 . A A . 12 HYP OD1 1 1 16 5053 1 1 13 GLY C C -6.458 -3.932 0.008 1.00 . A A . 13 GLY C 1 1 16 5054 1 1 13 GLY CA C -7.366 -4.703 0.945 1.00 . A A . 13 GLY CA 1 1 16 5055 1 1 13 GLY H H -6.198 -5.708 2.398 1.00 . A A . 13 GLY H 1 1 16 5056 1 1 13 GLY HA2 H -7.595 -5.661 0.502 1.00 . A A . 13 GLY HA2 1 1 16 5057 1 1 13 GLY HA3 H -8.284 -4.150 1.075 1.00 . A A . 13 GLY HA3 1 1 16 5058 1 1 13 GLY N N -6.763 -4.922 2.247 1.00 . A A . 13 GLY N 1 1 16 5059 1 1 13 GLY O O -6.893 -3.466 -1.046 1.00 . A A . 13 GLY O 1 1 16 5060 1 1 14 CYS C C -3.043 -3.971 -0.787 1.00 . A A . 14 CYS C 1 1 16 5061 1 1 14 CYS CA C -4.221 -3.073 -0.422 1.00 . A A . 14 CYS CA 1 1 16 5062 1 1 14 CYS CB C -3.721 -1.835 0.325 1.00 . A A . 14 CYS CB 1 1 16 5063 1 1 14 CYS H H -4.906 -4.189 1.242 1.00 . A A . 14 CYS H 1 1 16 5064 1 1 14 CYS HA H -4.715 -2.761 -1.330 1.00 . A A . 14 CYS HA 1 1 16 5065 1 1 14 CYS HB3 H -2.814 -1.484 -0.144 1.00 . A A . 14 CYS HB3 1 1 16 5066 1 1 14 CYS N N -5.193 -3.795 0.391 1.00 . A A . 14 CYS N 1 1 16 5067 1 1 14 CYS O O -3.034 -5.161 -0.469 1.00 . A A . 14 CYS O 1 1 16 5068 1 1 14 CYS SG S -4.906 -0.452 0.348 1.00 . A A . 14 CYS SG 1 1 16 5069 1 1 15 SER C C 0.385 -3.279 -1.758 1.00 . A A . 15 SER C 1 1 16 5070 1 1 15 SER CA C -0.869 -4.141 -1.868 1.00 . A A . 15 SER CA 1 1 16 5071 1 1 15 SER CB C -1.032 -4.645 -3.303 1.00 . A A . 15 SER CB 1 1 16 5072 1 1 15 SER H H -2.117 -2.442 -1.681 1.00 . A A . 15 SER H 1 1 16 5073 1 1 15 SER HA H -0.767 -4.990 -1.208 1.00 . A A . 15 SER HA 1 1 16 5074 1 1 15 SER HB3 H -0.690 -5.668 -3.364 1.00 . A A . 15 SER HB3 1 1 16 5075 1 1 15 SER HG H -2.794 -5.452 -3.586 1.00 . A A . 15 SER HG 1 1 16 5076 1 1 15 SER N N -2.050 -3.394 -1.456 1.00 . A A . 15 SER N 1 1 16 5077 1 1 15 SER O O 0.311 -2.050 -1.771 1.00 . A A . 15 SER O 1 1 16 5078 1 1 15 SER OG O -2.389 -4.591 -3.711 1.00 . A A . 15 SER OG 1 1 16 5079 1 1 16 CYS C C 3.505 -3.144 -2.894 1.00 . A A . 16 CYS C 1 1 16 5080 1 1 16 CYS CA C 2.809 -3.229 -1.538 1.00 . A A . 16 CYS CA 1 1 16 5081 1 1 16 CYS CB C 3.717 -3.932 -0.529 1.00 . A A . 16 CYS CB 1 1 16 5082 1 1 16 CYS H H 1.532 -4.914 -1.646 1.00 . A A . 16 CYS H 1 1 16 5083 1 1 16 CYS HA H 2.604 -2.228 -1.190 1.00 . A A . 16 CYS HA 1 1 16 5084 1 1 16 CYS HB3 H 3.903 -4.942 -0.866 1.00 . A A . 16 CYS HB3 1 1 16 5085 1 1 16 CYS N N 1.537 -3.933 -1.651 1.00 . A A . 16 CYS N 1 1 16 5086 1 1 16 CYS O O 3.483 -4.096 -3.675 1.00 . A A . 16 CYS O 1 1 16 5087 1 1 16 CYS SG S 5.331 -3.121 -0.290 1.00 . A A . 16 CYS SG 1 1 16 5088 1 1 17 TYR C C 5.819 -0.640 -4.310 1.00 . A A . 17 TYR C 1 1 16 5089 1 1 17 TYR CA C 4.822 -1.789 -4.427 1.00 . A A . 17 TYR CA 1 1 16 5090 1 1 17 TYR CB C 3.822 -1.499 -5.547 1.00 . A A . 17 TYR CB 1 1 16 5091 1 1 17 TYR CD1 C 5.397 -2.240 -7.376 1.00 . A A . 17 TYR CD1 1 1 16 5092 1 1 17 TYR CD2 C 4.147 -0.238 -7.711 1.00 . A A . 17 TYR CD2 1 1 16 5093 1 1 17 TYR CE1 C 5.990 -2.082 -8.614 1.00 . A A . 17 TYR CE1 1 1 16 5094 1 1 17 TYR CE2 C 4.734 -0.073 -8.951 1.00 . A A . 17 TYR CE2 1 1 16 5095 1 1 17 TYR CG C 4.468 -1.323 -6.903 1.00 . A A . 17 TYR CG 1 1 16 5096 1 1 17 TYR CZ C 5.655 -0.998 -9.399 1.00 . A A . 17 TYR CZ 1 1 16 5097 1 1 17 TYR H H 4.103 -1.277 -2.503 1.00 . A A . 17 TYR H 1 1 16 5098 1 1 17 TYR HA H 5.360 -2.695 -4.663 1.00 . A A . 17 TYR HA 1 1 16 5099 1 1 17 TYR HB3 H 3.285 -0.591 -5.315 1.00 . A A . 17 TYR HB3 1 1 16 5100 1 1 17 TYR HD1 H 5.659 -3.088 -6.760 1.00 . A A . 17 TYR HD1 1 1 16 5101 1 1 17 TYR HD2 H 3.427 0.484 -7.358 1.00 . A A . 17 TYR HD2 1 1 16 5102 1 1 17 TYR HE1 H 6.711 -2.807 -8.965 1.00 . A A . 17 TYR HE1 1 1 16 5103 1 1 17 TYR HE2 H 4.472 0.776 -9.565 1.00 . A A . 17 TYR HE2 1 1 16 5104 1 1 17 TYR HH H 6.851 -0.096 -10.602 1.00 . A A . 17 TYR HH 1 1 16 5105 1 1 17 TYR N N 4.121 -1.998 -3.165 1.00 . A A . 17 TYR N 1 1 16 5106 1 1 17 TYR O O 5.477 0.452 -3.858 1.00 . A A . 17 TYR O 1 1 16 5107 1 1 17 TYR OH O 6.243 -0.837 -10.632 1.00 . A A . 17 TYR OH 1 1 16 5108 1 1 18 ALA C C 8.234 0.697 -3.264 1.00 . A A . 18 ALA C 1 1 16 5109 1 1 18 ALA CA C 8.105 0.115 -4.668 1.00 . A A . 18 ALA CA 1 1 16 5110 1 1 18 ALA CB C 7.825 1.221 -5.675 1.00 . A A . 18 ALA CB 1 1 16 5111 1 1 18 ALA H H 7.269 -1.786 -5.073 1.00 . A A . 18 ALA H 1 1 16 5112 1 1 18 ALA HA H 9.039 -0.356 -4.939 1.00 . A A . 18 ALA HA 1 1 16 5113 1 1 18 ALA HB1 H 8.011 0.853 -6.673 1.00 . A A . 18 ALA HB1 1 1 16 5114 1 1 18 ALA HB2 H 6.794 1.530 -5.592 1.00 . A A . 18 ALA HB2 1 1 16 5115 1 1 18 ALA HB3 H 8.471 2.063 -5.474 1.00 . A A . 18 ALA HB3 1 1 16 5116 1 1 18 ALA N N 7.057 -0.896 -4.723 1.00 . A A . 18 ALA N 1 1 16 5117 1 1 18 ALA O O 8.236 1.915 -3.084 1.00 . A A . 18 ALA O 1 1 16 5118 1 1 19 ARG C C 7.278 1.104 -0.468 1.00 . A A . 19 ARG C 1 1 16 5119 1 1 19 ARG CA C 8.468 0.245 -0.885 1.00 . A A . 19 ARG CA 1 1 16 5120 1 1 19 ARG CB C 9.768 1.027 -0.686 1.00 . A A . 19 ARG CB 1 1 16 5121 1 1 19 ARG CD C 11.870 0.862 0.683 1.00 . A A . 19 ARG CD 1 1 16 5122 1 1 19 ARG CG C 10.951 0.154 -0.301 1.00 . A A . 19 ARG CG 1 1 16 5123 1 1 19 ARG CZ C 11.786 -0.571 2.679 1.00 . A A . 19 ARG CZ 1 1 16 5124 1 1 19 ARG H H 8.333 -1.139 -2.480 1.00 . A A . 19 ARG H 1 1 16 5125 1 1 19 ARG HA H 8.493 -0.639 -0.266 1.00 . A A . 19 ARG HA 1 1 16 5126 1 1 19 ARG HB3 H 9.619 1.758 0.094 1.00 . A A . 19 ARG HB3 1 1 16 5127 1 1 19 ARG HD3 H 11.802 1.927 0.514 1.00 . A A . 19 ARG HD3 1 1 16 5128 1 1 19 ARG HE H 11.042 1.277 2.569 1.00 . A A . 19 ARG HE 1 1 16 5129 1 1 19 ARG HG3 H 11.512 -0.091 -1.192 1.00 . A A . 19 ARG HG3 1 1 16 5130 1 1 19 ARG HH11 H 12.692 -1.399 1.074 1.00 . A A . 19 ARG HH11 1 1 16 5131 1 1 19 ARG HH12 H 12.626 -2.398 2.489 1.00 . A A . 19 ARG HH12 1 1 16 5132 1 1 19 ARG HH21 H 10.949 -0.030 4.437 1.00 . A A . 19 ARG HH21 1 1 16 5133 1 1 19 ARG HH22 H 11.634 -1.618 4.400 1.00 . A A . 19 ARG HH22 1 1 16 5134 1 1 19 ARG N N 8.341 -0.182 -2.272 1.00 . A A . 19 ARG N 1 1 16 5135 1 1 19 ARG NE N 11.511 0.577 2.069 1.00 . A A . 19 ARG NE 1 1 16 5136 1 1 19 ARG NH1 N 12.419 -1.535 2.027 1.00 . A A . 19 ARG NH1 1 1 16 5137 1 1 19 ARG NH2 N 11.426 -0.755 3.943 1.00 . A A . 19 ARG NH2 1 1 16 5138 1 1 19 ARG O O 7.348 1.852 0.508 1.00 . A A . 19 ARG O 1 1 16 5139 1 1 20 THR C C 3.743 0.864 -0.938 1.00 . A A . 20 THR C 1 1 16 5140 1 1 20 THR CA C 4.978 1.757 -0.924 1.00 . A A . 20 THR CA 1 1 16 5141 1 1 20 THR CB C 4.782 2.901 -1.937 1.00 . A A . 20 THR CB 1 1 16 5142 1 1 20 THR CG2 C 4.340 4.175 -1.235 1.00 . A A . 20 THR CG2 1 1 16 5143 1 1 20 THR H H 6.189 0.377 -1.978 1.00 . A A . 20 THR H 1 1 16 5144 1 1 20 THR HA H 5.086 2.190 0.060 1.00 . A A . 20 THR HA 1 1 16 5145 1 1 20 THR HB H 4.015 2.610 -2.640 1.00 . A A . 20 THR HB 1 1 16 5146 1 1 20 THR HG1 H 5.803 3.529 -3.503 1.00 . A A . 20 THR HG1 1 1 16 5147 1 1 20 THR HG21 H 3.555 4.647 -1.806 1.00 . A A . 20 THR HG21 1 1 16 5148 1 1 20 THR HG22 H 5.179 4.850 -1.151 1.00 . A A . 20 THR HG22 1 1 16 5149 1 1 20 THR HG23 H 3.972 3.934 -0.248 1.00 . A A . 20 THR HG23 1 1 16 5150 1 1 20 THR N N 6.184 0.991 -1.214 1.00 . A A . 20 THR N 1 1 16 5151 1 1 20 THR O O 3.849 -0.362 -0.999 1.00 . A A . 20 THR O 1 1 16 5152 1 1 20 THR OG1 O 6.002 3.140 -2.647 1.00 . A A . 20 THR OG1 1 1 16 5153 1 1 21 CYS C C 0.446 1.158 -2.074 1.00 . A A . 21 CYS C 1 1 16 5154 1 1 21 CYS CA C 1.312 0.746 -0.886 1.00 . A A . 21 CYS CA 1 1 16 5155 1 1 21 CYS CB C 0.551 0.983 0.419 1.00 . A A . 21 CYS CB 1 1 16 5156 1 1 21 CYS H H 2.548 2.464 -0.833 1.00 . A A . 21 CYS H 1 1 16 5157 1 1 21 CYS HA H 1.544 -0.304 -0.973 1.00 . A A . 21 CYS HA 1 1 16 5158 1 1 21 CYS HB3 H -0.496 0.771 0.261 1.00 . A A . 21 CYS HB3 1 1 16 5159 1 1 21 CYS N N 2.569 1.485 -0.880 1.00 . A A . 21 CYS N 1 1 16 5160 1 1 21 CYS O O 0.842 1.995 -2.885 1.00 . A A . 21 CYS O 1 1 16 5161 1 1 21 CYS SG S 1.122 -0.048 1.809 1.00 . A A . 21 CYS SG 1 1 16 5162 1 1 22 PHE C C -3.084 0.450 -2.895 1.00 . A A . 22 PHE C 1 1 16 5163 1 1 22 PHE CA C -1.662 0.867 -3.257 1.00 . A A . 22 PHE CA 1 1 16 5164 1 1 22 PHE CB C -1.222 0.159 -4.539 1.00 . A A . 22 PHE CB 1 1 16 5165 1 1 22 PHE CD1 C -2.760 1.110 -6.279 1.00 . A A . 22 PHE CD1 1 1 16 5166 1 1 22 PHE CD2 C -0.425 1.565 -6.458 1.00 . A A . 22 PHE CD2 1 1 16 5167 1 1 22 PHE CE1 C -2.994 1.848 -7.424 1.00 . A A . 22 PHE CE1 1 1 16 5168 1 1 22 PHE CE2 C -0.655 2.305 -7.603 1.00 . A A . 22 PHE CE2 1 1 16 5169 1 1 22 PHE CG C -1.474 0.961 -5.784 1.00 . A A . 22 PHE CG 1 1 16 5170 1 1 22 PHE CZ C -1.941 2.445 -8.087 1.00 . A A . 22 PHE CZ 1 1 16 5171 1 1 22 PHE H H -0.998 -0.096 -1.491 1.00 . A A . 22 PHE H 1 1 16 5172 1 1 22 PHE HA H -1.643 1.933 -3.420 1.00 . A A . 22 PHE HA 1 1 16 5173 1 1 22 PHE HB3 H -1.759 -0.775 -4.630 1.00 . A A . 22 PHE HB3 1 1 16 5174 1 1 22 PHE HD1 H -3.585 0.642 -5.761 1.00 . A A . 22 PHE HD1 1 1 16 5175 1 1 22 PHE HD2 H 0.581 1.456 -6.082 1.00 . A A . 22 PHE HD2 1 1 16 5176 1 1 22 PHE HE1 H -4.002 1.956 -7.800 1.00 . A A . 22 PHE HE1 1 1 16 5177 1 1 22 PHE HE2 H 0.170 2.772 -8.120 1.00 . A A . 22 PHE HE2 1 1 16 5178 1 1 22 PHE HZ H -2.123 3.023 -8.981 1.00 . A A . 22 PHE HZ 1 1 16 5179 1 1 22 PHE N N -0.739 0.563 -2.169 1.00 . A A . 22 PHE N 1 1 16 5180 1 1 22 PHE O O -3.300 -0.596 -2.282 1.00 . A A . 22 PHE O 1 1 16 5181 1 1 23 ARG C C -6.301 1.116 -4.257 1.00 . A A . 23 ARG C 1 1 16 5182 1 1 23 ARG CA C -5.454 0.996 -2.993 1.00 . A A . 23 ARG CA 1 1 16 5183 1 1 23 ARG CB C -5.980 1.952 -1.921 1.00 . A A . 23 ARG CB 1 1 16 5184 1 1 23 ARG CD C -6.972 4.216 -1.468 1.00 . A A . 23 ARG CD 1 1 16 5185 1 1 23 ARG CG C -6.084 3.394 -2.390 1.00 . A A . 23 ARG CG 1 1 16 5186 1 1 23 ARG CZ C -9.292 5.021 -1.376 1.00 . A A . 23 ARG CZ 1 1 16 5187 1 1 23 ARG H H -3.817 2.095 -3.763 1.00 . A A . 23 ARG H 1 1 16 5188 1 1 23 ARG HA H -5.522 -0.017 -2.625 1.00 . A A . 23 ARG HA 1 1 16 5189 1 1 23 ARG HB3 H -5.316 1.919 -1.071 1.00 . A A . 23 ARG HB3 1 1 16 5190 1 1 23 ARG HD3 H -6.572 5.218 -1.406 1.00 . A A . 23 ARG HD3 1 1 16 5191 1 1 23 ARG HE H -8.580 3.751 -2.738 1.00 . A A . 23 ARG HE 1 1 16 5192 1 1 23 ARG HG3 H -6.502 3.410 -3.385 1.00 . A A . 23 ARG HG3 1 1 16 5193 1 1 23 ARG HH11 H -8.083 5.749 0.070 1.00 . A A . 23 ARG HH11 1 1 16 5194 1 1 23 ARG HH12 H -9.721 6.308 0.123 1.00 . A A . 23 ARG HH12 1 1 16 5195 1 1 23 ARG HH21 H -10.740 4.480 -2.678 1.00 . A A . 23 ARG HH21 1 1 16 5196 1 1 23 ARG HH22 H -11.232 5.584 -1.440 1.00 . A A . 23 ARG HH22 1 1 16 5197 1 1 23 ARG N N -4.052 1.277 -3.278 1.00 . A A . 23 ARG N 1 1 16 5198 1 1 23 ARG NE N -8.348 4.283 -1.949 1.00 . A A . 23 ARG NE 1 1 16 5199 1 1 23 ARG NH1 N -9.009 5.752 -0.307 1.00 . A A . 23 ARG NH1 1 1 16 5200 1 1 23 ARG NH2 N -10.523 5.029 -1.872 1.00 . A A . 23 ARG NH2 1 1 16 5201 1 1 23 ARG O O -5.771 1.224 -5.363 1.00 . A A . 23 ARG O 1 1 16 5202 1 1 24 ASP C C -8.866 2.666 -5.507 1.00 . A A . 24 ASP C 1 1 16 5203 1 1 24 ASP CA C -8.537 1.206 -5.211 1.00 . A A . 24 ASP CA 1 1 16 5204 1 1 24 ASP CB C -9.823 0.430 -4.923 1.00 . A A . 24 ASP CB 1 1 16 5205 1 1 24 ASP CG C -9.740 -1.015 -5.374 1.00 . A A . 24 ASP CG 1 1 16 5206 1 1 24 ASP H H -7.980 1.010 -3.178 1.00 . A A . 24 ASP H 1 1 16 5207 1 1 24 ASP HA H -8.055 0.777 -6.076 1.00 . A A . 24 ASP HA 1 1 16 5208 1 1 24 ASP HB3 H -10.645 0.902 -5.440 1.00 . A A . 24 ASP HB3 1 1 16 5209 1 1 24 ASP N N -7.618 1.098 -4.085 1.00 . A A . 24 ASP N 1 1 16 5210 1 1 24 ASP O O -9.380 3.383 -4.649 1.00 . A A . 24 ASP O 1 1 16 5211 1 1 24 ASP OD1 O -9.981 -1.280 -6.571 1.00 . A A . 24 ASP OD1 1 1 16 5212 1 1 24 ASP OD2 O -9.434 -1.883 -4.529 1.00 . A A . 24 ASP OD2 1 1 16 5213 1 1 25 GLY C C -7.660 5.393 -6.837 1.00 . A A . 25 GLY C 1 1 16 5214 1 1 25 GLY CA C -8.832 4.473 -7.113 1.00 . A A . 25 GLY CA 1 1 16 5215 1 1 25 GLY H H -8.155 2.484 -7.369 1.00 . A A . 25 GLY H 1 1 16 5216 1 1 25 GLY HA2 H -9.059 4.501 -8.169 1.00 . A A . 25 GLY HA2 1 1 16 5217 1 1 25 GLY HA3 H -9.691 4.829 -6.561 1.00 . A A . 25 GLY HA3 1 1 16 5218 1 1 25 GLY N N -8.563 3.100 -6.727 1.00 . A A . 25 GLY N 1 1 16 5219 1 1 25 GLY O O -7.562 6.477 -7.415 1.00 . A A . 25 GLY O 1 1 16 5220 1 1 26 LEU C C -4.389 4.860 -5.337 1.00 . A A . 26 LEU C 1 1 16 5221 1 1 26 LEU CA C -5.596 5.756 -5.600 1.00 . A A . 26 LEU CA 1 1 16 5222 1 1 26 LEU CB C -5.887 6.613 -4.367 1.00 . A A . 26 LEU CB 1 1 16 5223 1 1 26 LEU CD1 C -8.131 7.557 -3.768 1.00 . A A . 26 LEU CD1 1 1 16 5224 1 1 26 LEU CD2 C -6.202 9.093 -4.187 1.00 . A A . 26 LEU CD2 1 1 16 5225 1 1 26 LEU CG C -6.858 7.776 -4.573 1.00 . A A . 26 LEU CG 1 1 16 5226 1 1 26 LEU H H -6.898 4.091 -5.526 1.00 . A A . 26 LEU H 1 1 16 5227 1 1 26 LEU HA H -5.371 6.405 -6.434 1.00 . A A . 26 LEU HA 1 1 16 5228 1 1 26 LEU HB3 H -4.949 7.022 -4.020 1.00 . A A . 26 LEU HB3 1 1 16 5229 1 1 26 LEU HD11 H -7.926 7.717 -2.720 1.00 . A A . 26 LEU HD11 1 1 16 5230 1 1 26 LEU HD12 H -8.480 6.546 -3.917 1.00 . A A . 26 LEU HD12 1 1 16 5231 1 1 26 LEU HD13 H -8.889 8.252 -4.098 1.00 . A A . 26 LEU HD13 1 1 16 5232 1 1 26 LEU HD21 H -5.427 8.910 -3.458 1.00 . A A . 26 LEU HD21 1 1 16 5233 1 1 26 LEU HD22 H -6.944 9.755 -3.765 1.00 . A A . 26 LEU HD22 1 1 16 5234 1 1 26 LEU HD23 H -5.770 9.551 -5.066 1.00 . A A . 26 LEU HD23 1 1 16 5235 1 1 26 LEU HG H -7.131 7.830 -5.618 1.00 . A A . 26 LEU HG 1 1 16 5236 1 1 26 LEU N N -6.768 4.963 -5.952 1.00 . A A . 26 LEU N 1 1 16 5237 1 1 26 LEU O O -4.522 3.689 -4.981 1.00 . A A . 26 LEU O 1 1 16 5238 1 1 27 PRO C C -1.683 4.389 -3.825 1.00 . A A . 27 PRO C 1 1 16 5239 1 1 27 PRO CA C -1.931 4.692 -5.297 1.00 . A A . 27 PRO CA 1 1 16 5240 1 1 27 PRO CB C -0.866 5.650 -5.833 1.00 . A A . 27 PRO CB 1 1 16 5241 1 1 27 PRO CD C -2.952 6.813 -5.937 1.00 . A A . 27 PRO CD 1 1 16 5242 1 1 27 PRO CG C -1.477 7.003 -5.712 1.00 . A A . 27 PRO CG 1 1 16 5243 1 1 27 PRO HA H -1.906 3.771 -5.862 1.00 . A A . 27 PRO HA 1 1 16 5244 1 1 27 PRO HB3 H -0.643 5.409 -6.862 1.00 . A A . 27 PRO HB3 1 1 16 5245 1 1 27 PRO HD3 H -3.195 6.942 -6.981 1.00 . A A . 27 PRO HD3 1 1 16 5246 1 1 27 PRO HG3 H -1.066 7.661 -6.464 1.00 . A A . 27 PRO HG3 1 1 16 5247 1 1 27 PRO N N -3.185 5.422 -5.513 1.00 . A A . 27 PRO N 1 1 16 5248 1 1 27 PRO O O -0.554 4.117 -3.418 1.00 . A A . 27 PRO O 1 1 17 5249 1 1 1 SER C C -3.258 4.521 -0.279 1.00 . A A . 1 SER C 1 1 17 5250 1 1 1 SER CA C -2.668 5.386 -1.389 1.00 . A A . 1 SER CA 1 1 17 5251 1 1 1 SER CB C -3.435 6.706 -1.483 1.00 . A A . 1 SER CB 1 1 17 5252 1 1 1 SER H1 H -3.571 4.535 -3.105 1.00 . A A . 1 SER H1 1 1 17 5253 1 1 1 SER HA H -1.636 5.594 -1.156 1.00 . A A . 1 SER HA 1 1 17 5254 1 1 1 SER HB3 H -3.045 7.288 -2.306 1.00 . A A . 1 SER HB3 1 1 17 5255 1 1 1 SER HG H -5.304 7.290 -1.532 1.00 . A A . 1 SER HG 1 1 17 5256 1 1 1 SER N N -2.707 4.686 -2.668 1.00 . A A . 1 SER N 1 1 17 5257 1 1 1 SER O O -4.476 4.449 -0.112 1.00 . A A . 1 SER O 1 1 17 5258 1 1 1 SER OG O -4.817 6.480 -1.698 1.00 . A A . 1 SER OG 1 1 17 5259 1 1 2 CYS C C -1.795 3.014 2.708 1.00 . A A . 2 CYS C 1 1 17 5260 1 1 2 CYS CA C -2.816 3.003 1.573 1.00 . A A . 2 CYS CA 1 1 17 5261 1 1 2 CYS CB C -3.024 1.573 1.073 1.00 . A A . 2 CYS CB 1 1 17 5262 1 1 2 CYS H H -1.426 3.962 0.297 1.00 . A A . 2 CYS H 1 1 17 5263 1 1 2 CYS HA H -3.754 3.385 1.946 1.00 . A A . 2 CYS HA 1 1 17 5264 1 1 2 CYS HB3 H -2.291 0.929 1.534 1.00 . A A . 2 CYS HB3 1 1 17 5265 1 1 2 CYS N N -2.385 3.865 0.479 1.00 . A A . 2 CYS N 1 1 17 5266 1 1 2 CYS O O -0.589 3.032 2.472 1.00 . A A . 2 CYS O 1 1 17 5267 1 1 2 CYS SG S -4.672 0.890 1.439 1.00 . A A . 2 CYS SG 1 1 17 5268 1 1 3 GLY C C -0.739 1.671 5.322 1.00 . A A . 3 GLY C 1 1 17 5269 1 1 3 GLY CA C -1.409 3.011 5.095 1.00 . A A . 3 GLY CA 1 1 17 5270 1 1 3 GLY H H -3.262 2.989 4.070 1.00 . A A . 3 GLY H 1 1 17 5271 1 1 3 GLY HA2 H -0.648 3.763 4.947 1.00 . A A . 3 GLY HA2 1 1 17 5272 1 1 3 GLY HA3 H -1.986 3.266 5.972 1.00 . A A . 3 GLY HA3 1 1 17 5273 1 1 3 GLY N N -2.290 3.004 3.942 1.00 . A A . 3 GLY N 1 1 17 5274 1 1 3 GLY O O -0.349 0.995 4.370 1.00 . A A . 3 GLY O 1 1 17 5275 1 1 4 GLY C C 1.484 -0.028 6.495 1.00 . A A . 4 GLY C 1 1 17 5276 1 1 4 GLY CA C 0.028 0.020 6.913 1.00 . A A . 4 GLY CA 1 1 17 5277 1 1 4 GLY H H -0.933 1.866 7.305 1.00 . A A . 4 GLY H 1 1 17 5278 1 1 4 GLY HA2 H -0.035 -0.137 7.979 1.00 . A A . 4 GLY HA2 1 1 17 5279 1 1 4 GLY HA3 H -0.505 -0.775 6.410 1.00 . A A . 4 GLY HA3 1 1 17 5280 1 1 4 GLY N N -0.602 1.286 6.587 1.00 . A A . 4 GLY N 1 1 17 5281 1 1 4 GLY O O 1.931 0.785 5.686 1.00 . A A . 4 GLY O 1 1 17 5282 1 1 5 SER C C 3.857 -2.236 5.705 1.00 . A A . 5 SER C 1 1 17 5283 1 1 5 SER CA C 3.642 -1.129 6.731 1.00 . A A . 5 SER CA 1 1 17 5284 1 1 5 SER CB C 4.441 -1.432 8.001 1.00 . A A . 5 SER CB 1 1 17 5285 1 1 5 SER H H 1.812 -1.600 7.686 1.00 . A A . 5 SER H 1 1 17 5286 1 1 5 SER HA H 3.987 -0.195 6.315 1.00 . A A . 5 SER HA 1 1 17 5287 1 1 5 SER HB3 H 4.975 -0.544 8.307 1.00 . A A . 5 SER HB3 1 1 17 5288 1 1 5 SER HG H 3.315 -2.748 8.917 1.00 . A A . 5 SER HG 1 1 17 5289 1 1 5 SER N N 2.227 -0.982 7.048 1.00 . A A . 5 SER N 1 1 17 5290 1 1 5 SER O O 3.045 -3.155 5.585 1.00 . A A . 5 SER O 1 1 17 5291 1 1 5 SER OG O 3.587 -1.838 9.057 1.00 . A A . 5 SER OG 1 1 17 5292 1 1 6 CYS C C 6.008 -4.327 4.562 1.00 . A A . 6 CYS C 1 1 17 5293 1 1 6 CYS CA C 5.281 -3.135 3.947 1.00 . A A . 6 CYS CA 1 1 17 5294 1 1 6 CYS CB C 6.144 -2.507 2.850 1.00 . A A . 6 CYS CB 1 1 17 5295 1 1 6 CYS H H 5.567 -1.388 5.107 1.00 . A A . 6 CYS H 1 1 17 5296 1 1 6 CYS HA H 4.356 -3.479 3.512 1.00 . A A . 6 CYS HA 1 1 17 5297 1 1 6 CYS HB3 H 6.776 -3.270 2.420 1.00 . A A . 6 CYS HB3 1 1 17 5298 1 1 6 CYS N N 4.957 -2.142 4.966 1.00 . A A . 6 CYS N 1 1 17 5299 1 1 6 CYS O O 6.021 -5.420 3.995 1.00 . A A . 6 CYS O 1 1 17 5300 1 1 6 CYS SG S 5.190 -1.746 1.498 1.00 . A A . 6 CYS SG 1 1 17 5301 1 1 7 PHE C C 6.382 -6.151 7.073 1.00 . A A . 7 PHE C 1 1 17 5302 1 1 7 PHE CA C 7.343 -5.165 6.417 1.00 . A A . 7 PHE CA 1 1 17 5303 1 1 7 PHE CB C 8.273 -4.564 7.473 1.00 . A A . 7 PHE CB 1 1 17 5304 1 1 7 PHE CD1 C 10.536 -5.634 7.305 1.00 . A A . 7 PHE CD1 1 1 17 5305 1 1 7 PHE CD2 C 9.094 -6.307 9.080 1.00 . A A . 7 PHE CD2 1 1 17 5306 1 1 7 PHE CE1 C 11.504 -6.513 7.752 1.00 . A A . 7 PHE CE1 1 1 17 5307 1 1 7 PHE CE2 C 10.058 -7.188 9.533 1.00 . A A . 7 PHE CE2 1 1 17 5308 1 1 7 PHE CG C 9.322 -5.521 7.962 1.00 . A A . 7 PHE CG 1 1 17 5309 1 1 7 PHE CZ C 11.264 -7.291 8.867 1.00 . A A . 7 PHE CZ 1 1 17 5310 1 1 7 PHE H H 6.567 -3.216 6.127 1.00 . A A . 7 PHE H 1 1 17 5311 1 1 7 PHE HA H 7.936 -5.692 5.685 1.00 . A A . 7 PHE HA 1 1 17 5312 1 1 7 PHE HB3 H 7.686 -4.250 8.323 1.00 . A A . 7 PHE HB3 1 1 17 5313 1 1 7 PHE HD1 H 10.725 -5.025 6.431 1.00 . A A . 7 PHE HD1 1 1 17 5314 1 1 7 PHE HD2 H 8.151 -6.227 9.601 1.00 . A A . 7 PHE HD2 1 1 17 5315 1 1 7 PHE HE1 H 12.446 -6.592 7.230 1.00 . A A . 7 PHE HE1 1 1 17 5316 1 1 7 PHE HE2 H 9.868 -7.796 10.405 1.00 . A A . 7 PHE HE2 1 1 17 5317 1 1 7 PHE HZ H 12.020 -7.978 9.219 1.00 . A A . 7 PHE HZ 1 1 17 5318 1 1 7 PHE N N 6.613 -4.109 5.725 1.00 . A A . 7 PHE N 1 1 17 5319 1 1 7 PHE O O 6.764 -7.264 7.431 1.00 . A A . 7 PHE O 1 1 17 5320 1 1 8 GLY C C 2.834 -6.625 7.055 1.00 . A A . 8 GLY C 1 1 17 5321 1 1 8 GLY CA C 4.130 -6.590 7.840 1.00 . A A . 8 GLY CA 1 1 17 5322 1 1 8 GLY H H 4.880 -4.836 6.923 1.00 . A A . 8 GLY H 1 1 17 5323 1 1 8 GLY HA2 H 4.525 -7.593 7.909 1.00 . A A . 8 GLY HA2 1 1 17 5324 1 1 8 GLY HA3 H 3.924 -6.227 8.836 1.00 . A A . 8 GLY HA3 1 1 17 5325 1 1 8 GLY N N 5.128 -5.733 7.227 1.00 . A A . 8 GLY N 1 1 17 5326 1 1 8 GLY O O 1.776 -6.930 7.603 1.00 . A A . 8 GLY O 1 1 17 5327 1 1 9 GLY C C 1.039 -4.967 4.899 1.00 . A A . 9 GLY C 1 1 17 5328 1 1 9 GLY CA C 1.735 -6.313 4.924 1.00 . A A . 9 GLY CA 1 1 17 5329 1 1 9 GLY H H 3.789 -6.077 5.382 1.00 . A A . 9 GLY H 1 1 17 5330 1 1 9 GLY HA2 H 2.022 -6.576 3.917 1.00 . A A . 9 GLY HA2 1 1 17 5331 1 1 9 GLY HA3 H 1.043 -7.055 5.296 1.00 . A A . 9 GLY HA3 1 1 17 5332 1 1 9 GLY N N 2.917 -6.312 5.765 1.00 . A A . 9 GLY N 1 1 17 5333 1 1 9 GLY O O 0.784 -4.372 5.948 1.00 . A A . 9 GLY O 1 1 17 5334 1 1 10 CYS C C -1.319 -3.219 4.187 1.00 . A A . 10 CYS C 1 1 17 5335 1 1 10 CYS CA C 0.065 -3.196 3.542 1.00 . A A . 10 CYS CA 1 1 17 5336 1 1 10 CYS CB C -0.057 -2.840 2.060 1.00 . A A . 10 CYS CB 1 1 17 5337 1 1 10 CYS H H 0.961 -5.003 2.902 1.00 . A A . 10 CYS H 1 1 17 5338 1 1 10 CYS HA H 0.665 -2.447 4.036 1.00 . A A . 10 CYS HA 1 1 17 5339 1 1 10 CYS HB3 H -0.954 -2.258 1.910 1.00 . A A . 10 CYS HB3 1 1 17 5340 1 1 10 CYS N N 0.733 -4.482 3.701 1.00 . A A . 10 CYS N 1 1 17 5341 1 1 10 CYS O O -1.754 -4.245 4.711 1.00 . A A . 10 CYS O 1 1 17 5342 1 1 10 CYS SG S 1.344 -1.876 1.409 1.00 . A A . 10 CYS SG 1 1 17 5343 1 1 11 TRP C C -4.245 -3.088 4.218 1.00 . A A . 11 TRP C 1 1 17 5344 1 1 11 TRP CA C -3.338 -1.971 4.723 1.00 . A A . 11 TRP CA 1 1 17 5345 1 1 11 TRP CB C -3.950 -0.610 4.387 1.00 . A A . 11 TRP CB 1 1 17 5346 1 1 11 TRP CD1 C -3.491 0.326 6.728 1.00 . A A . 11 TRP CD1 1 1 17 5347 1 1 11 TRP CD2 C -5.393 1.060 5.800 1.00 . A A . 11 TRP CD2 1 1 17 5348 1 1 11 TRP CE2 C -5.259 1.644 7.074 1.00 . A A . 11 TRP CE2 1 1 17 5349 1 1 11 TRP CE3 C -6.513 1.377 5.027 1.00 . A A . 11 TRP CE3 1 1 17 5350 1 1 11 TRP CG C -4.250 0.221 5.599 1.00 . A A . 11 TRP CG 1 1 17 5351 1 1 11 TRP CH2 C -7.293 2.817 6.814 1.00 . A A . 11 TRP CH2 1 1 17 5352 1 1 11 TRP CZ2 C -6.206 2.525 7.592 1.00 . A A . 11 TRP CZ2 1 1 17 5353 1 1 11 TRP CZ3 C -7.451 2.250 5.542 1.00 . A A . 11 TRP CZ3 1 1 17 5354 1 1 11 TRP H H -1.603 -1.298 3.712 1.00 . A A . 11 TRP H 1 1 17 5355 1 1 11 TRP HA H -3.241 -2.058 5.795 1.00 . A A . 11 TRP HA 1 1 17 5356 1 1 11 TRP HB3 H -4.874 -0.763 3.850 1.00 . A A . 11 TRP HB3 1 1 17 5357 1 1 11 TRP HD1 H -2.558 -0.194 6.885 1.00 . A A . 11 TRP HD1 1 1 17 5358 1 1 11 TRP HE1 H -3.741 1.419 8.505 1.00 . A A . 11 TRP HE1 1 1 17 5359 1 1 11 TRP HE3 H -6.652 0.949 4.045 1.00 . A A . 11 TRP HE3 1 1 17 5360 1 1 11 TRP HH2 H -8.052 3.494 7.175 1.00 . A A . 11 TRP HH2 1 1 17 5361 1 1 11 TRP HZ2 H -6.099 2.971 8.569 1.00 . A A . 11 TRP HZ2 1 1 17 5362 1 1 11 TRP HZ3 H -8.324 2.506 4.960 1.00 . A A . 11 TRP HZ3 1 1 17 5363 1 1 11 TRP N N -2.004 -2.082 4.143 1.00 . A A . 11 TRP N 1 1 17 5364 1 1 11 TRP NE1 N -4.093 1.180 7.621 1.00 . A A . 11 TRP NE1 1 1 17 5365 1 1 11 TRP O O -3.928 -3.812 3.258 1.00 . A A . 11 TRP O 1 1 17 5366 1 1 12 HYP C C -7.056 -4.033 3.182 1.00 . A A . 12 HYP C 1 1 17 5367 1 1 12 HYP CA C -6.386 -4.285 4.522 1.00 . A A . 12 HYP CA 1 1 17 5368 1 1 12 HYP CB C -7.414 -4.209 5.665 1.00 . A A . 12 HYP CB 1 1 17 5369 1 1 12 HYP CD C -5.868 -2.451 6.007 1.00 . A A . 12 HYP CD 1 1 17 5370 1 1 12 HYP CG C -6.727 -3.435 6.729 1.00 . A A . 12 HYP CG 1 1 17 5371 1 1 12 HYP HA H -5.930 -5.264 4.513 1.00 . A A . 12 HYP HA 1 1 17 5372 1 1 12 HYP HB2 H -7.658 -5.207 6.000 1.00 . A A . 12 HYP HB2 1 1 17 5373 1 1 12 HYP HB3 H -8.306 -3.706 5.324 1.00 . A A . 12 HYP HB3 1 1 17 5374 1 1 12 HYP HD1 H -5.683 -5.205 6.932 1.00 . A A . 12 HYP HD1 1 1 17 5375 1 1 12 HYP HD22 H -6.785 -1.699 5.832 1.00 . A A . 12 HYP HD22 1 1 17 5376 1 1 12 HYP HD23 H -5.335 -2.125 6.771 1.00 . A A . 12 HYP HD23 1 1 17 5377 1 1 12 HYP HG H -7.635 -3.246 7.426 1.00 . A A . 12 HYP HG 1 1 17 5378 1 1 12 HYP N N -5.408 -3.249 4.869 1.00 . A A . 12 HYP N 1 1 17 5379 1 1 12 HYP O O -7.765 -3.046 2.992 1.00 . A A . 12 HYP O 1 1 17 5380 1 1 12 HYP OD1 O -5.943 -4.457 7.492 1.00 . A A . 12 HYP OD1 1 1 17 5381 1 1 13 GLY C C -6.487 -4.076 -0.042 1.00 . A A . 13 GLY C 1 1 17 5382 1 1 13 GLY CA C -7.398 -4.814 0.919 1.00 . A A . 13 GLY CA 1 1 17 5383 1 1 13 GLY H H -6.243 -5.710 2.451 1.00 . A A . 13 GLY H 1 1 17 5384 1 1 13 GLY HA2 H -7.595 -5.800 0.526 1.00 . A A . 13 GLY HA2 1 1 17 5385 1 1 13 GLY HA3 H -8.330 -4.276 0.998 1.00 . A A . 13 GLY HA3 1 1 17 5386 1 1 13 GLY N N -6.817 -4.944 2.243 1.00 . A A . 13 GLY N 1 1 17 5387 1 1 13 GLY O O -6.904 -3.698 -1.138 1.00 . A A . 13 GLY O 1 1 17 5388 1 1 14 CYS C C -3.045 -4.042 -0.723 1.00 . A A . 14 CYS C 1 1 17 5389 1 1 14 CYS CA C -4.269 -3.168 -0.464 1.00 . A A . 14 CYS CA 1 1 17 5390 1 1 14 CYS CB C -3.842 -1.860 0.205 1.00 . A A . 14 CYS CB 1 1 17 5391 1 1 14 CYS H H -4.967 -4.193 1.251 1.00 . A A . 14 CYS H 1 1 17 5392 1 1 14 CYS HA H -4.741 -2.942 -1.409 1.00 . A A . 14 CYS HA 1 1 17 5393 1 1 14 CYS HB3 H -2.951 -1.489 -0.281 1.00 . A A . 14 CYS HB3 1 1 17 5394 1 1 14 CYS N N -5.241 -3.867 0.367 1.00 . A A . 14 CYS N 1 1 17 5395 1 1 14 CYS O O -3.004 -5.205 -0.322 1.00 . A A . 14 CYS O 1 1 17 5396 1 1 14 CYS SG S -5.101 -0.544 0.135 1.00 . A A . 14 CYS SG 1 1 17 5397 1 1 15 SER C C 0.394 -3.291 -1.593 1.00 . A A . 15 SER C 1 1 17 5398 1 1 15 SER CA C -0.825 -4.201 -1.711 1.00 . A A . 15 SER CA 1 1 17 5399 1 1 15 SER CB C -0.905 -4.785 -3.123 1.00 . A A . 15 SER CB 1 1 17 5400 1 1 15 SER H H -2.142 -2.542 -1.688 1.00 . A A . 15 SER H 1 1 17 5401 1 1 15 SER HA H -0.728 -5.008 -1.002 1.00 . A A . 15 SER HA 1 1 17 5402 1 1 15 SER HB3 H -0.365 -5.720 -3.153 1.00 . A A . 15 SER HB3 1 1 17 5403 1 1 15 SER HG H -2.661 -5.617 -2.870 1.00 . A A . 15 SER HG 1 1 17 5404 1 1 15 SER N N -2.049 -3.472 -1.395 1.00 . A A . 15 SER N 1 1 17 5405 1 1 15 SER O O 0.269 -2.066 -1.565 1.00 . A A . 15 SER O 1 1 17 5406 1 1 15 SER OG O -2.250 -5.022 -3.502 1.00 . A A . 15 SER OG 1 1 17 5407 1 1 16 CYS C C 3.529 -3.063 -2.755 1.00 . A A . 16 CYS C 1 1 17 5408 1 1 16 CYS CA C 2.816 -3.146 -1.409 1.00 . A A . 16 CYS CA 1 1 17 5409 1 1 16 CYS CB C 3.735 -3.795 -0.372 1.00 . A A . 16 CYS CB 1 1 17 5410 1 1 16 CYS H H 1.609 -4.878 -1.552 1.00 . A A . 16 CYS H 1 1 17 5411 1 1 16 CYS HA H 2.570 -2.146 -1.084 1.00 . A A . 16 CYS HA 1 1 17 5412 1 1 16 CYS HB3 H 3.972 -4.799 -0.690 1.00 . A A . 16 CYS HB3 1 1 17 5413 1 1 16 CYS N N 1.573 -3.899 -1.524 1.00 . A A . 16 CYS N 1 1 17 5414 1 1 16 CYS O O 3.513 -4.013 -3.538 1.00 . A A . 16 CYS O 1 1 17 5415 1 1 16 CYS SG S 5.305 -2.909 -0.112 1.00 . A A . 16 CYS SG 1 1 17 5416 1 1 17 TYR C C 5.874 -0.570 -4.140 1.00 . A A . 17 TYR C 1 1 17 5417 1 1 17 TYR CA C 4.870 -1.712 -4.271 1.00 . A A . 17 TYR CA 1 1 17 5418 1 1 17 TYR CB C 3.886 -1.414 -5.403 1.00 . A A . 17 TYR CB 1 1 17 5419 1 1 17 TYR CD1 C 4.834 -2.335 -7.554 1.00 . A A . 17 TYR CD1 1 1 17 5420 1 1 17 TYR CD2 C 4.890 0.024 -7.220 1.00 . A A . 17 TYR CD2 1 1 17 5421 1 1 17 TYR CE1 C 5.440 -2.180 -8.785 1.00 . A A . 17 TYR CE1 1 1 17 5422 1 1 17 TYR CE2 C 5.495 0.189 -8.451 1.00 . A A . 17 TYR CE2 1 1 17 5423 1 1 17 TYR CG C 4.549 -1.239 -6.750 1.00 . A A . 17 TYR CG 1 1 17 5424 1 1 17 TYR CZ C 5.768 -0.915 -9.230 1.00 . A A . 17 TYR CZ 1 1 17 5425 1 1 17 TYR H H 4.130 -1.199 -2.356 1.00 . A A . 17 TYR H 1 1 17 5426 1 1 17 TYR HA H 5.406 -2.621 -4.502 1.00 . A A . 17 TYR HA 1 1 17 5427 1 1 17 TYR HB3 H 3.351 -0.504 -5.175 1.00 . A A . 17 TYR HB3 1 1 17 5428 1 1 17 TYR HD1 H 4.576 -3.324 -7.203 1.00 . A A . 17 TYR HD1 1 1 17 5429 1 1 17 TYR HD2 H 4.675 0.887 -6.606 1.00 . A A . 17 TYR HD2 1 1 17 5430 1 1 17 TYR HE1 H 5.654 -3.044 -9.397 1.00 . A A . 17 TYR HE1 1 1 17 5431 1 1 17 TYR HE2 H 5.751 1.179 -8.798 1.00 . A A . 17 TYR HE2 1 1 17 5432 1 1 17 TYR HH H 5.774 -1.052 -11.148 1.00 . A A . 17 TYR HH 1 1 17 5433 1 1 17 TYR N N 4.153 -1.920 -3.019 1.00 . A A . 17 TYR N 1 1 17 5434 1 1 17 TYR O O 5.528 0.528 -3.708 1.00 . A A . 17 TYR O 1 1 17 5435 1 1 17 TYR OH O 6.371 -0.755 -10.456 1.00 . A A . 17 TYR OH 1 1 17 5436 1 1 18 ALA C C 8.274 0.755 -3.045 1.00 . A A . 18 ALA C 1 1 17 5437 1 1 18 ALA CA C 8.174 0.165 -4.447 1.00 . A A . 18 ALA CA 1 1 17 5438 1 1 18 ALA CB C 7.925 1.265 -5.469 1.00 . A A . 18 ALA CB 1 1 17 5439 1 1 18 ALA H H 7.333 -1.735 -4.855 1.00 . A A . 18 ALA H 1 1 17 5440 1 1 18 ALA HA H 9.110 -0.316 -4.692 1.00 . A A . 18 ALA HA 1 1 17 5441 1 1 18 ALA HB1 H 8.844 1.804 -5.645 1.00 . A A . 18 ALA HB1 1 1 17 5442 1 1 18 ALA HB2 H 7.582 0.825 -6.394 1.00 . A A . 18 ALA HB2 1 1 17 5443 1 1 18 ALA HB3 H 7.175 1.943 -5.092 1.00 . A A . 18 ALA HB3 1 1 17 5444 1 1 18 ALA N N 7.119 -0.840 -4.518 1.00 . A A . 18 ALA N 1 1 17 5445 1 1 18 ALA O O 8.277 1.974 -2.874 1.00 . A A . 18 ALA O 1 1 17 5446 1 1 19 ARG C C 7.258 1.182 -0.271 1.00 . A A . 19 ARG C 1 1 17 5447 1 1 19 ARG CA C 8.457 0.321 -0.658 1.00 . A A . 19 ARG CA 1 1 17 5448 1 1 19 ARG CB C 9.752 1.104 -0.438 1.00 . A A . 19 ARG CB 1 1 17 5449 1 1 19 ARG CD C 12.041 0.066 -0.496 1.00 . A A . 19 ARG CD 1 1 17 5450 1 1 19 ARG CG C 10.803 0.336 0.346 1.00 . A A . 19 ARG CG 1 1 17 5451 1 1 19 ARG CZ C 13.932 -1.503 -0.544 1.00 . A A . 19 ARG CZ 1 1 17 5452 1 1 19 ARG H H 8.351 -1.076 -2.245 1.00 . A A . 19 ARG H 1 1 17 5453 1 1 19 ARG HA H 8.469 -0.560 -0.033 1.00 . A A . 19 ARG HA 1 1 17 5454 1 1 19 ARG HB3 H 9.524 2.011 0.100 1.00 . A A . 19 ARG HB3 1 1 17 5455 1 1 19 ARG HD3 H 12.628 0.971 -0.547 1.00 . A A . 19 ARG HD3 1 1 17 5456 1 1 19 ARG HE H 12.601 -1.366 0.936 1.00 . A A . 19 ARG HE 1 1 17 5457 1 1 19 ARG HG3 H 10.383 -0.606 0.665 1.00 . A A . 19 ARG HG3 1 1 17 5458 1 1 19 ARG HH11 H 13.787 -0.298 -2.158 1.00 . A A . 19 ARG HH11 1 1 17 5459 1 1 19 ARG HH12 H 15.116 -1.409 -2.179 1.00 . A A . 19 ARG HH12 1 1 17 5460 1 1 19 ARG HH21 H 14.348 -2.834 0.920 1.00 . A A . 19 ARG HH21 1 1 17 5461 1 1 19 ARG HH22 H 15.434 -2.852 -0.428 1.00 . A A . 19 ARG HH22 1 1 17 5462 1 1 19 ARG N N 8.357 -0.116 -2.045 1.00 . A A . 19 ARG N 1 1 17 5463 1 1 19 ARG NE N 12.862 -1.004 0.064 1.00 . A A . 19 ARG NE 1 1 17 5464 1 1 19 ARG NH1 N 14.309 -1.033 -1.724 1.00 . A A . 19 ARG NH1 1 1 17 5465 1 1 19 ARG NH2 N 14.628 -2.476 0.030 1.00 . A A . 19 ARG NH2 1 1 17 5466 1 1 19 ARG O O 7.308 1.937 0.700 1.00 . A A . 19 ARG O 1 1 17 5467 1 1 20 THR C C 3.732 0.939 -0.819 1.00 . A A . 20 THR C 1 1 17 5468 1 1 20 THR CA C 4.967 1.830 -0.779 1.00 . A A . 20 THR CA 1 1 17 5469 1 1 20 THR CB C 4.796 2.972 -1.798 1.00 . A A . 20 THR CB 1 1 17 5470 1 1 20 THR CG2 C 4.343 4.250 -1.109 1.00 . A A . 20 THR CG2 1 1 17 5471 1 1 20 THR H H 6.200 0.445 -1.799 1.00 . A A . 20 THR H 1 1 17 5472 1 1 20 THR HA H 5.054 2.266 0.206 1.00 . A A . 20 THR HA 1 1 17 5473 1 1 20 THR HB H 4.043 2.682 -2.517 1.00 . A A . 20 THR HB 1 1 17 5474 1 1 20 THR HG1 H 6.695 3.501 -1.856 1.00 . A A . 20 THR HG1 1 1 17 5475 1 1 20 THR HG21 H 3.454 4.624 -1.594 1.00 . A A . 20 THR HG21 1 1 17 5476 1 1 20 THR HG22 H 5.127 4.991 -1.173 1.00 . A A . 20 THR HG22 1 1 17 5477 1 1 20 THR HG23 H 4.127 4.043 -0.071 1.00 . A A . 20 THR HG23 1 1 17 5478 1 1 20 THR N N 6.178 1.063 -1.039 1.00 . A A . 20 THR N 1 1 17 5479 1 1 20 THR O O 3.840 -0.287 -0.864 1.00 . A A . 20 THR O 1 1 17 5480 1 1 20 THR OG1 O 6.032 3.206 -2.484 1.00 . A A . 20 THR OG1 1 1 17 5481 1 1 21 CYS C C 0.443 1.268 -2.019 1.00 . A A . 21 CYS C 1 1 17 5482 1 1 21 CYS CA C 1.301 0.824 -0.837 1.00 . A A . 21 CYS CA 1 1 17 5483 1 1 21 CYS CB C 0.531 1.025 0.470 1.00 . A A . 21 CYS CB 1 1 17 5484 1 1 21 CYS H H 2.537 2.541 -0.766 1.00 . A A . 21 CYS H 1 1 17 5485 1 1 21 CYS HA H 1.533 -0.223 -0.951 1.00 . A A . 21 CYS HA 1 1 17 5486 1 1 21 CYS HB3 H -0.502 0.749 0.317 1.00 . A A . 21 CYS HB3 1 1 17 5487 1 1 21 CYS N N 2.558 1.561 -0.803 1.00 . A A . 21 CYS N 1 1 17 5488 1 1 21 CYS O O 0.832 2.149 -2.786 1.00 . A A . 21 CYS O 1 1 17 5489 1 1 21 CYS SG S 1.167 0.040 1.865 1.00 . A A . 21 CYS SG 1 1 17 5490 1 1 22 PHE C C -3.060 0.526 -2.919 1.00 . A A . 22 PHE C 1 1 17 5491 1 1 22 PHE CA C -1.642 0.984 -3.244 1.00 . A A . 22 PHE CA 1 1 17 5492 1 1 22 PHE CB C -1.170 0.337 -4.549 1.00 . A A . 22 PHE CB 1 1 17 5493 1 1 22 PHE CD1 C -2.654 1.351 -6.300 1.00 . A A . 22 PHE CD1 1 1 17 5494 1 1 22 PHE CD2 C -0.326 1.862 -6.353 1.00 . A A . 22 PHE CD2 1 1 17 5495 1 1 22 PHE CE1 C -2.857 2.146 -7.413 1.00 . A A . 22 PHE CE1 1 1 17 5496 1 1 22 PHE CE2 C -0.522 2.659 -7.465 1.00 . A A . 22 PHE CE2 1 1 17 5497 1 1 22 PHE CG C -1.387 1.201 -5.758 1.00 . A A . 22 PHE CG 1 1 17 5498 1 1 22 PHE CZ C -1.790 2.800 -7.996 1.00 . A A . 22 PHE CZ 1 1 17 5499 1 1 22 PHE H H -0.982 -0.041 -1.513 1.00 . A A . 22 PHE H 1 1 17 5500 1 1 22 PHE HA H -1.640 2.056 -3.362 1.00 . A A . 22 PHE HA 1 1 17 5501 1 1 22 PHE HB3 H -1.708 -0.587 -4.698 1.00 . A A . 22 PHE HB3 1 1 17 5502 1 1 22 PHE HD1 H -3.490 0.840 -5.844 1.00 . A A . 22 PHE HD1 1 1 17 5503 1 1 22 PHE HD2 H 0.667 1.753 -5.939 1.00 . A A . 22 PHE HD2 1 1 17 5504 1 1 22 PHE HE1 H -3.849 2.254 -7.825 1.00 . A A . 22 PHE HE1 1 1 17 5505 1 1 22 PHE HE2 H 0.313 3.169 -7.920 1.00 . A A . 22 PHE HE2 1 1 17 5506 1 1 22 PHE HZ H -1.947 3.422 -8.866 1.00 . A A . 22 PHE HZ 1 1 17 5507 1 1 22 PHE N N -0.727 0.654 -2.157 1.00 . A A . 22 PHE N 1 1 17 5508 1 1 22 PHE O O -3.264 -0.547 -2.352 1.00 . A A . 22 PHE O 1 1 17 5509 1 1 23 ARG C C -6.259 1.130 -4.313 1.00 . A A . 23 ARG C 1 1 17 5510 1 1 23 ARG CA C -5.438 1.031 -3.031 1.00 . A A . 23 ARG CA 1 1 17 5511 1 1 23 ARG CB C -6.014 1.974 -1.971 1.00 . A A . 23 ARG CB 1 1 17 5512 1 1 23 ARG CD C -7.228 4.158 -1.707 1.00 . A A . 23 ARG CD 1 1 17 5513 1 1 23 ARG CG C -6.113 3.419 -2.431 1.00 . A A . 23 ARG CG 1 1 17 5514 1 1 23 ARG CZ C -8.205 4.201 0.547 1.00 . A A . 23 ARG CZ 1 1 17 5515 1 1 23 ARG H H -3.813 2.191 -3.733 1.00 . A A . 23 ARG H 1 1 17 5516 1 1 23 ARG HA H -5.488 0.018 -2.663 1.00 . A A . 23 ARG HA 1 1 17 5517 1 1 23 ARG HB3 H -5.383 1.939 -1.096 1.00 . A A . 23 ARG HB3 1 1 17 5518 1 1 23 ARG HD3 H -8.176 3.817 -2.094 1.00 . A A . 23 ARG HD3 1 1 17 5519 1 1 23 ARG HE H -6.370 3.553 0.114 1.00 . A A . 23 ARG HE 1 1 17 5520 1 1 23 ARG HG3 H -6.310 3.436 -3.493 1.00 . A A . 23 ARG HG3 1 1 17 5521 1 1 23 ARG HH11 H -9.416 4.888 -0.917 1.00 . A A . 23 ARG HH11 1 1 17 5522 1 1 23 ARG HH12 H -10.093 4.913 0.678 1.00 . A A . 23 ARG HH12 1 1 17 5523 1 1 23 ARG HH21 H -7.250 3.580 2.218 1.00 . A A . 23 ARG HH21 1 1 17 5524 1 1 23 ARG HH22 H -8.860 4.169 2.460 1.00 . A A . 23 ARG HH22 1 1 17 5525 1 1 23 ARG N N -4.038 1.349 -3.285 1.00 . A A . 23 ARG N 1 1 17 5526 1 1 23 ARG NE N -7.191 3.928 -0.266 1.00 . A A . 23 ARG NE 1 1 17 5527 1 1 23 ARG NH1 N -9.330 4.709 0.063 1.00 . A A . 23 ARG NH1 1 1 17 5528 1 1 23 ARG NH2 N -8.096 3.964 1.848 1.00 . A A . 23 ARG NH2 1 1 17 5529 1 1 23 ARG O O -5.707 1.249 -5.408 1.00 . A A . 23 ARG O 1 1 17 5530 1 1 24 ASP C C -8.835 2.613 -5.622 1.00 . A A . 24 ASP C 1 1 17 5531 1 1 24 ASP CA C -8.476 1.161 -5.318 1.00 . A A . 24 ASP CA 1 1 17 5532 1 1 24 ASP CB C -9.746 0.352 -5.058 1.00 . A A . 24 ASP CB 1 1 17 5533 1 1 24 ASP CG C -9.610 -1.094 -5.491 1.00 . A A . 24 ASP CG 1 1 17 5534 1 1 24 ASP H H -7.959 0.982 -3.273 1.00 . A A . 24 ASP H 1 1 17 5535 1 1 24 ASP HA H -7.963 0.745 -6.171 1.00 . A A . 24 ASP HA 1 1 17 5536 1 1 24 ASP HB3 H -10.566 0.797 -5.603 1.00 . A A . 24 ASP HB3 1 1 17 5537 1 1 24 ASP N N -7.579 1.078 -4.171 1.00 . A A . 24 ASP N 1 1 17 5538 1 1 24 ASP O O -9.406 3.310 -4.785 1.00 . A A . 24 ASP O 1 1 17 5539 1 1 24 ASP OD1 O -8.971 -1.344 -6.534 1.00 . A A . 24 ASP OD1 1 1 17 5540 1 1 24 ASP OD2 O -10.142 -1.978 -4.786 1.00 . A A . 24 ASP OD2 1 1 17 5541 1 1 25 GLY C C -7.658 5.381 -6.892 1.00 . A A . 25 GLY C 1 1 17 5542 1 1 25 GLY CA C -8.789 4.427 -7.219 1.00 . A A . 25 GLY CA 1 1 17 5543 1 1 25 GLY H H -8.042 2.459 -7.454 1.00 . A A . 25 GLY H 1 1 17 5544 1 1 25 GLY HA2 H -8.973 4.452 -8.283 1.00 . A A . 25 GLY HA2 1 1 17 5545 1 1 25 GLY HA3 H -9.680 4.754 -6.704 1.00 . A A . 25 GLY HA3 1 1 17 5546 1 1 25 GLY N N -8.496 3.061 -6.826 1.00 . A A . 25 GLY N 1 1 17 5547 1 1 25 GLY O O -7.571 6.470 -7.460 1.00 . A A . 25 GLY O 1 1 17 5548 1 1 26 LEU C C -4.438 4.938 -5.259 1.00 . A A . 26 LEU C 1 1 17 5549 1 1 26 LEU CA C -5.658 5.800 -5.570 1.00 . A A . 26 LEU CA 1 1 17 5550 1 1 26 LEU CB C -6.026 6.641 -4.347 1.00 . A A . 26 LEU CB 1 1 17 5551 1 1 26 LEU CD1 C -8.197 7.744 -3.751 1.00 . A A . 26 LEU CD1 1 1 17 5552 1 1 26 LEU CD2 C -6.207 9.141 -4.341 1.00 . A A . 26 LEU CD2 1 1 17 5553 1 1 26 LEU CG C -6.943 7.837 -4.607 1.00 . A A . 26 LEU CG 1 1 17 5554 1 1 26 LEU H H -6.912 4.094 -5.557 1.00 . A A . 26 LEU H 1 1 17 5555 1 1 26 LEU HA H -5.418 6.458 -6.392 1.00 . A A . 26 LEU HA 1 1 17 5556 1 1 26 LEU HB3 H -5.108 7.015 -3.916 1.00 . A A . 26 LEU HB3 1 1 17 5557 1 1 26 LEU HD11 H -8.966 8.374 -4.170 1.00 . A A . 26 LEU HD11 1 1 17 5558 1 1 26 LEU HD12 H -7.970 8.072 -2.747 1.00 . A A . 26 LEU HD12 1 1 17 5559 1 1 26 LEU HD13 H -8.541 6.721 -3.726 1.00 . A A . 26 LEU HD13 1 1 17 5560 1 1 26 LEU HD21 H -6.214 9.350 -3.282 1.00 . A A . 26 LEU HD21 1 1 17 5561 1 1 26 LEU HD22 H -6.699 9.945 -4.870 1.00 . A A . 26 LEU HD22 1 1 17 5562 1 1 26 LEU HD23 H -5.187 9.057 -4.686 1.00 . A A . 26 LEU HD23 1 1 17 5563 1 1 26 LEU HG H -7.249 7.829 -5.645 1.00 . A A . 26 LEU HG 1 1 17 5564 1 1 26 LEU N N -6.789 4.972 -5.974 1.00 . A A . 26 LEU N 1 1 17 5565 1 1 26 LEU O O -4.548 3.756 -4.933 1.00 . A A . 26 LEU O 1 1 17 5566 1 1 27 PRO C C -1.800 4.527 -3.613 1.00 . A A . 27 PRO C 1 1 17 5567 1 1 27 PRO CA C -1.980 4.851 -5.093 1.00 . A A . 27 PRO CA 1 1 17 5568 1 1 27 PRO CB C -0.921 5.855 -5.554 1.00 . A A . 27 PRO CB 1 1 17 5569 1 1 27 PRO CD C -3.038 6.949 -5.747 1.00 . A A . 27 PRO CD 1 1 17 5570 1 1 27 PRO CG C -1.584 7.184 -5.440 1.00 . A A . 27 PRO CG 1 1 17 5571 1 1 27 PRO HA H -1.894 3.943 -5.671 1.00 . A A . 27 PRO HA 1 1 17 5572 1 1 27 PRO HB3 H -0.637 5.641 -6.573 1.00 . A A . 27 PRO HB3 1 1 17 5573 1 1 27 PRO HD3 H -3.229 7.092 -6.799 1.00 . A A . 27 PRO HD3 1 1 17 5574 1 1 27 PRO HG3 H -1.156 7.869 -6.157 1.00 . A A . 27 PRO HG3 1 1 17 5575 1 1 27 PRO N N -3.244 5.542 -5.362 1.00 . A A . 27 PRO N 1 1 17 5576 1 1 27 PRO O O -0.688 4.255 -3.159 1.00 . A A . 27 PRO O 1 1 18 5577 1 1 1 SER C C -4.293 4.964 0.956 1.00 . A A . 1 SER C 1 1 18 5578 1 1 1 SER CA C -4.079 6.195 0.080 1.00 . A A . 1 SER CA 1 1 18 5579 1 1 1 SER CB C -5.279 7.136 0.199 1.00 . A A . 1 SER CB 1 1 18 5580 1 1 1 SER H1 H -4.352 5.034 -1.670 1.00 . A A . 1 SER H1 1 1 18 5581 1 1 1 SER HA H -3.192 6.711 0.416 1.00 . A A . 1 SER HA 1 1 18 5582 1 1 1 SER HB3 H -5.140 7.978 -0.463 1.00 . A A . 1 SER HB3 1 1 18 5583 1 1 1 SER HG H -6.294 5.779 -0.784 1.00 . A A . 1 SER HG 1 1 18 5584 1 1 1 SER N N -3.873 5.811 -1.312 1.00 . A A . 1 SER N 1 1 18 5585 1 1 1 SER O O -5.413 4.470 1.090 1.00 . A A . 1 SER O 1 1 18 5586 1 1 1 SER OG O -6.483 6.474 -0.149 1.00 . A A . 1 SER OG 1 1 18 5587 1 1 2 CYS C C -2.096 3.269 3.381 1.00 . A A . 2 CYS C 1 1 18 5588 1 1 2 CYS CA C -3.278 3.301 2.416 1.00 . A A . 2 CYS CA 1 1 18 5589 1 1 2 CYS CB C -3.300 2.024 1.575 1.00 . A A . 2 CYS CB 1 1 18 5590 1 1 2 CYS H H -2.346 4.912 1.407 1.00 . A A . 2 CYS H 1 1 18 5591 1 1 2 CYS HA H -4.191 3.362 2.988 1.00 . A A . 2 CYS HA 1 1 18 5592 1 1 2 CYS HB3 H -2.435 1.426 1.820 1.00 . A A . 2 CYS HB3 1 1 18 5593 1 1 2 CYS N N -3.211 4.475 1.552 1.00 . A A . 2 CYS N 1 1 18 5594 1 1 2 CYS O O -0.944 3.412 2.973 1.00 . A A . 2 CYS O 1 1 18 5595 1 1 2 CYS SG S -4.779 0.992 1.830 1.00 . A A . 2 CYS SG 1 1 18 5596 1 1 3 GLY C C -0.678 1.671 5.744 1.00 . A A . 3 GLY C 1 1 18 5597 1 1 3 GLY CA C -1.343 3.030 5.667 1.00 . A A . 3 GLY CA 1 1 18 5598 1 1 3 GLY H H -3.328 2.971 4.930 1.00 . A A . 3 GLY H 1 1 18 5599 1 1 3 GLY HA2 H -0.596 3.772 5.426 1.00 . A A . 3 GLY HA2 1 1 18 5600 1 1 3 GLY HA3 H -1.771 3.264 6.629 1.00 . A A . 3 GLY HA3 1 1 18 5601 1 1 3 GLY N N -2.391 3.079 4.663 1.00 . A A . 3 GLY N 1 1 18 5602 1 1 3 GLY O O -0.476 1.011 4.726 1.00 . A A . 3 GLY O 1 1 18 5603 1 1 4 GLY C C 1.726 -0.060 6.598 1.00 . A A . 4 GLY C 1 1 18 5604 1 1 4 GLY CA C 0.311 -0.036 7.142 1.00 . A A . 4 GLY CA 1 1 18 5605 1 1 4 GLY H H -0.519 1.819 7.734 1.00 . A A . 4 GLY H 1 1 18 5606 1 1 4 GLY HA2 H 0.338 -0.266 8.196 1.00 . A A . 4 GLY HA2 1 1 18 5607 1 1 4 GLY HA3 H -0.269 -0.794 6.634 1.00 . A A . 4 GLY HA3 1 1 18 5608 1 1 4 GLY N N -0.334 1.250 6.958 1.00 . A A . 4 GLY N 1 1 18 5609 1 1 4 GLY O O 2.046 0.659 5.651 1.00 . A A . 4 GLY O 1 1 18 5610 1 1 5 SER C C 4.163 -2.207 5.867 1.00 . A A . 5 SER C 1 1 18 5611 1 1 5 SER CA C 3.967 -0.995 6.773 1.00 . A A . 5 SER CA 1 1 18 5612 1 1 5 SER CB C 4.889 -1.099 7.990 1.00 . A A . 5 SER CB 1 1 18 5613 1 1 5 SER H H 2.261 -1.433 7.950 1.00 . A A . 5 SER H 1 1 18 5614 1 1 5 SER HA H 4.214 -0.101 6.220 1.00 . A A . 5 SER HA 1 1 18 5615 1 1 5 SER HB3 H 5.393 -0.156 8.138 1.00 . A A . 5 SER HB3 1 1 18 5616 1 1 5 SER HG H 4.551 -2.171 9.595 1.00 . A A . 5 SER HG 1 1 18 5617 1 1 5 SER N N 2.576 -0.886 7.200 1.00 . A A . 5 SER N 1 1 18 5618 1 1 5 SER O O 3.439 -3.197 5.969 1.00 . A A . 5 SER O 1 1 18 5619 1 1 5 SER OG O 4.154 -1.413 9.161 1.00 . A A . 5 SER OG 1 1 18 5620 1 1 6 CYS C C 6.128 -4.363 4.771 1.00 . A A . 6 CYS C 1 1 18 5621 1 1 6 CYS CA C 5.441 -3.205 4.052 1.00 . A A . 6 CYS CA 1 1 18 5622 1 1 6 CYS CB C 6.325 -2.704 2.909 1.00 . A A . 6 CYS CB 1 1 18 5623 1 1 6 CYS H H 5.690 -1.303 4.944 1.00 . A A . 6 CYS H 1 1 18 5624 1 1 6 CYS HA H 4.504 -3.557 3.645 1.00 . A A . 6 CYS HA 1 1 18 5625 1 1 6 CYS HB3 H 6.957 -3.513 2.571 1.00 . A A . 6 CYS HB3 1 1 18 5626 1 1 6 CYS N N 5.147 -2.119 4.979 1.00 . A A . 6 CYS N 1 1 18 5627 1 1 6 CYS O O 6.086 -5.505 4.315 1.00 . A A . 6 CYS O 1 1 18 5628 1 1 6 CYS SG S 5.397 -2.086 1.468 1.00 . A A . 6 CYS SG 1 1 18 5629 1 1 7 PHE C C 6.475 -5.893 7.510 1.00 . A A . 7 PHE C 1 1 18 5630 1 1 7 PHE CA C 7.459 -5.071 6.683 1.00 . A A . 7 PHE CA 1 1 18 5631 1 1 7 PHE CB C 8.493 -4.415 7.601 1.00 . A A . 7 PHE CB 1 1 18 5632 1 1 7 PHE CD1 C 9.280 -6.054 9.330 1.00 . A A . 7 PHE CD1 1 1 18 5633 1 1 7 PHE CD2 C 10.697 -5.605 7.465 1.00 . A A . 7 PHE CD2 1 1 18 5634 1 1 7 PHE CE1 C 10.214 -6.940 9.830 1.00 . A A . 7 PHE CE1 1 1 18 5635 1 1 7 PHE CE2 C 11.636 -6.490 7.962 1.00 . A A . 7 PHE CE2 1 1 18 5636 1 1 7 PHE CG C 9.510 -5.378 8.143 1.00 . A A . 7 PHE CG 1 1 18 5637 1 1 7 PHE CZ C 11.393 -7.159 9.146 1.00 . A A . 7 PHE CZ 1 1 18 5638 1 1 7 PHE H H 6.760 -3.129 6.212 1.00 . A A . 7 PHE H 1 1 18 5639 1 1 7 PHE HA H 7.968 -5.728 5.994 1.00 . A A . 7 PHE HA 1 1 18 5640 1 1 7 PHE HB3 H 7.983 -3.962 8.438 1.00 . A A . 7 PHE HB3 1 1 18 5641 1 1 7 PHE HD1 H 8.357 -5.885 9.866 1.00 . A A . 7 PHE HD1 1 1 18 5642 1 1 7 PHE HD2 H 10.888 -5.082 6.539 1.00 . A A . 7 PHE HD2 1 1 18 5643 1 1 7 PHE HE1 H 10.023 -7.463 10.756 1.00 . A A . 7 PHE HE1 1 1 18 5644 1 1 7 PHE HE2 H 12.557 -6.659 7.423 1.00 . A A . 7 PHE HE2 1 1 18 5645 1 1 7 PHE HZ H 12.126 -7.851 9.536 1.00 . A A . 7 PHE HZ 1 1 18 5646 1 1 7 PHE N N 6.762 -4.058 5.900 1.00 . A A . 7 PHE N 1 1 18 5647 1 1 7 PHE O O 6.804 -6.975 7.992 1.00 . A A . 7 PHE O 1 1 18 5648 1 1 8 GLY C C 2.915 -6.122 7.723 1.00 . A A . 8 GLY C 1 1 18 5649 1 1 8 GLY CA C 4.250 -6.065 8.440 1.00 . A A . 8 GLY CA 1 1 18 5650 1 1 8 GLY H H 5.057 -4.501 7.262 1.00 . A A . 8 GLY H 1 1 18 5651 1 1 8 GLY HA2 H 4.587 -7.072 8.631 1.00 . A A . 8 GLY HA2 1 1 18 5652 1 1 8 GLY HA3 H 4.117 -5.554 9.383 1.00 . A A . 8 GLY HA3 1 1 18 5653 1 1 8 GLY N N 5.264 -5.368 7.670 1.00 . A A . 8 GLY N 1 1 18 5654 1 1 8 GLY O O 1.875 -6.324 8.348 1.00 . A A . 8 GLY O 1 1 18 5655 1 1 9 GLY C C 1.077 -4.607 5.498 1.00 . A A . 9 GLY C 1 1 18 5656 1 1 9 GLY CA C 1.721 -5.974 5.626 1.00 . A A . 9 GLY CA 1 1 18 5657 1 1 9 GLY H H 3.803 -5.782 5.961 1.00 . A A . 9 GLY H 1 1 18 5658 1 1 9 GLY HA2 H 1.947 -6.349 4.639 1.00 . A A . 9 GLY HA2 1 1 18 5659 1 1 9 GLY HA3 H 1.022 -6.645 6.102 1.00 . A A . 9 GLY HA3 1 1 18 5660 1 1 9 GLY N N 2.944 -5.940 6.406 1.00 . A A . 9 GLY N 1 1 18 5661 1 1 9 GLY O O 0.977 -3.866 6.475 1.00 . A A . 9 GLY O 1 1 18 5662 1 1 10 CYS C C -1.383 -2.928 4.671 1.00 . A A . 10 CYS C 1 1 18 5663 1 1 10 CYS CA C 0.003 -2.986 4.034 1.00 . A A . 10 CYS CA 1 1 18 5664 1 1 10 CYS CB C -0.104 -2.735 2.530 1.00 . A A . 10 CYS CB 1 1 18 5665 1 1 10 CYS H H 0.747 -4.907 3.548 1.00 . A A . 10 CYS H 1 1 18 5666 1 1 10 CYS HA H 0.620 -2.217 4.476 1.00 . A A . 10 CYS HA 1 1 18 5667 1 1 10 CYS HB3 H -0.994 -2.155 2.331 1.00 . A A . 10 CYS HB3 1 1 18 5668 1 1 10 CYS N N 0.639 -4.273 4.289 1.00 . A A . 10 CYS N 1 1 18 5669 1 1 10 CYS O O -1.878 -3.927 5.194 1.00 . A A . 10 CYS O 1 1 18 5670 1 1 10 CYS SG S 1.313 -1.835 1.823 1.00 . A A . 10 CYS SG 1 1 18 5671 1 1 11 TRP C C -4.304 -2.615 4.664 1.00 . A A . 11 TRP C 1 1 18 5672 1 1 11 TRP CA C -3.330 -1.567 5.194 1.00 . A A . 11 TRP CA 1 1 18 5673 1 1 11 TRP CB C -3.850 -0.164 4.879 1.00 . A A . 11 TRP CB 1 1 18 5674 1 1 11 TRP CD1 C -3.335 0.697 7.237 1.00 . A A . 11 TRP CD1 1 1 18 5675 1 1 11 TRP CD2 C -5.168 1.589 6.311 1.00 . A A . 11 TRP CD2 1 1 18 5676 1 1 11 TRP CE2 C -4.999 2.142 7.596 1.00 . A A . 11 TRP CE2 1 1 18 5677 1 1 11 TRP CE3 C -6.256 2.004 5.538 1.00 . A A . 11 TRP CE3 1 1 18 5678 1 1 11 TRP CG C -4.093 0.668 6.102 1.00 . A A . 11 TRP CG 1 1 18 5679 1 1 11 TRP CH2 C -6.935 3.472 7.344 1.00 . A A . 11 TRP CH2 1 1 18 5680 1 1 11 TRP CZ2 C -5.879 3.085 8.123 1.00 . A A . 11 TRP CZ2 1 1 18 5681 1 1 11 TRP CZ3 C -7.128 2.938 6.063 1.00 . A A . 11 TRP CZ3 1 1 18 5682 1 1 11 TRP H H -1.555 -0.996 4.193 1.00 . A A . 11 TRP H 1 1 18 5683 1 1 11 TRP HA H -3.248 -1.679 6.265 1.00 . A A . 11 TRP HA 1 1 18 5684 1 1 11 TRP HB3 H -4.782 -0.246 4.340 1.00 . A A . 11 TRP HB3 1 1 18 5685 1 1 11 TRP HD1 H -2.446 0.105 7.391 1.00 . A A . 11 TRP HD1 1 1 18 5686 1 1 11 TRP HE1 H -3.512 1.778 9.029 1.00 . A A . 11 TRP HE1 1 1 18 5687 1 1 11 TRP HE3 H -6.422 1.604 4.548 1.00 . A A . 11 TRP HE3 1 1 18 5688 1 1 11 TRP HH2 H -7.641 4.199 7.712 1.00 . A A . 11 TRP HH2 1 1 18 5689 1 1 11 TRP HZ2 H -5.743 3.505 9.108 1.00 . A A . 11 TRP HZ2 1 1 18 5690 1 1 11 TRP HZ3 H -7.976 3.270 5.480 1.00 . A A . 11 TRP HZ3 1 1 18 5691 1 1 11 TRP N N -2.001 -1.755 4.622 1.00 . A A . 11 TRP N 1 1 18 5692 1 1 11 TRP NE1 N -3.875 1.581 8.141 1.00 . A A . 11 TRP NE1 1 1 18 5693 1 1 11 TRP O O -4.021 -3.350 3.702 1.00 . A A . 11 TRP O 1 1 18 5694 1 1 12 HYP C C -7.155 -3.353 3.571 1.00 . A A . 12 HYP C 1 1 18 5695 1 1 12 HYP CA C -6.527 -3.661 4.921 1.00 . A A . 12 HYP CA 1 1 18 5696 1 1 12 HYP CB C -7.568 -3.525 6.047 1.00 . A A . 12 HYP CB 1 1 18 5697 1 1 12 HYP CD C -5.910 -1.881 6.431 1.00 . A A . 12 HYP CD 1 1 18 5698 1 1 12 HYP CG C -6.847 -2.809 7.130 1.00 . A A . 12 HYP CG 1 1 18 5699 1 1 12 HYP HA H -6.140 -4.670 4.910 1.00 . A A . 12 HYP HA 1 1 18 5700 1 1 12 HYP HB2 H -7.886 -4.505 6.368 1.00 . A A . 12 HYP HB2 1 1 18 5701 1 1 12 HYP HB3 H -8.417 -2.957 5.695 1.00 . A A . 12 HYP HB3 1 1 18 5702 1 1 12 HYP HD1 H -5.962 -4.609 7.355 1.00 . A A . 12 HYP HD1 1 1 18 5703 1 1 12 HYP HD22 H -6.559 -1.013 6.163 1.00 . A A . 12 HYP HD22 1 1 18 5704 1 1 12 HYP HD23 H -5.183 -1.615 7.118 1.00 . A A . 12 HYP HD23 1 1 18 5705 1 1 12 HYP HG H -7.619 -2.383 7.792 1.00 . A A . 12 HYP HG 1 1 18 5706 1 1 12 HYP N N -5.486 -2.699 5.295 1.00 . A A . 12 HYP N 1 1 18 5707 1 1 12 HYP O O -7.719 -2.281 3.354 1.00 . A A . 12 HYP O 1 1 18 5708 1 1 12 HYP OD1 O -6.113 -3.818 7.895 1.00 . A A . 12 HYP OD1 1 1 18 5709 1 1 13 GLY C C -6.596 -3.564 0.349 1.00 . A A . 13 GLY C 1 1 18 5710 1 1 13 GLY CA C -7.603 -4.135 1.328 1.00 . A A . 13 GLY CA 1 1 18 5711 1 1 13 GLY H H -6.587 -5.146 2.886 1.00 . A A . 13 GLY H 1 1 18 5712 1 1 13 GLY HA2 H -7.942 -5.092 0.961 1.00 . A A . 13 GLY HA2 1 1 18 5713 1 1 13 GLY HA3 H -8.447 -3.464 1.389 1.00 . A A . 13 GLY HA3 1 1 18 5714 1 1 13 GLY N N -7.048 -4.312 2.657 1.00 . A A . 13 GLY N 1 1 18 5715 1 1 13 GLY O O -6.944 -3.210 -0.776 1.00 . A A . 13 GLY O 1 1 18 5716 1 1 14 CYS C C -3.145 -3.949 -0.215 1.00 . A A . 14 CYS C 1 1 18 5717 1 1 14 CYS CA C -4.280 -2.939 -0.064 1.00 . A A . 14 CYS CA 1 1 18 5718 1 1 14 CYS CB C -3.740 -1.634 0.522 1.00 . A A . 14 CYS CB 1 1 18 5719 1 1 14 CYS H H -5.125 -3.772 1.688 1.00 . A A . 14 CYS H 1 1 18 5720 1 1 14 CYS HA H -4.699 -2.740 -1.039 1.00 . A A . 14 CYS HA 1 1 18 5721 1 1 14 CYS HB3 H -2.773 -1.425 0.090 1.00 . A A . 14 CYS HB3 1 1 18 5722 1 1 14 CYS N N -5.341 -3.473 0.780 1.00 . A A . 14 CYS N 1 1 18 5723 1 1 14 CYS O O -3.233 -5.075 0.274 1.00 . A A . 14 CYS O 1 1 18 5724 1 1 14 CYS SG S -4.806 -0.187 0.221 1.00 . A A . 14 CYS SG 1 1 18 5725 1 1 15 SER C C 0.369 -3.604 -1.088 1.00 . A A . 15 SER C 1 1 18 5726 1 1 15 SER CA C -0.929 -4.405 -1.113 1.00 . A A . 15 SER CA 1 1 18 5727 1 1 15 SER CB C -1.063 -5.138 -2.449 1.00 . A A . 15 SER CB 1 1 18 5728 1 1 15 SER H H -2.069 -2.627 -1.260 1.00 . A A . 15 SER H 1 1 18 5729 1 1 15 SER HA H -0.906 -5.131 -0.315 1.00 . A A . 15 SER HA 1 1 18 5730 1 1 15 SER HB3 H -1.026 -6.204 -2.277 1.00 . A A . 15 SER HB3 1 1 18 5731 1 1 15 SER HG H -2.299 -3.889 -3.314 1.00 . A A . 15 SER HG 1 1 18 5732 1 1 15 SER N N -2.080 -3.536 -0.895 1.00 . A A . 15 SER N 1 1 18 5733 1 1 15 SER O O 0.358 -2.377 -1.203 1.00 . A A . 15 SER O 1 1 18 5734 1 1 15 SER OG O -2.290 -4.821 -3.084 1.00 . A A . 15 SER OG 1 1 18 5735 1 1 16 CYS C C 3.463 -3.700 -2.268 1.00 . A A . 16 CYS C 1 1 18 5736 1 1 16 CYS CA C 2.795 -3.662 -0.896 1.00 . A A . 16 CYS CA 1 1 18 5737 1 1 16 CYS CB C 3.690 -4.345 0.139 1.00 . A A . 16 CYS CB 1 1 18 5738 1 1 16 CYS H H 1.432 -5.281 -0.851 1.00 . A A . 16 CYS H 1 1 18 5739 1 1 16 CYS HA H 2.649 -2.631 -0.609 1.00 . A A . 16 CYS HA 1 1 18 5740 1 1 16 CYS HB3 H 3.777 -5.393 -0.106 1.00 . A A . 16 CYS HB3 1 1 18 5741 1 1 16 CYS N N 1.487 -4.305 -0.937 1.00 . A A . 16 CYS N 1 1 18 5742 1 1 16 CYS O O 3.857 -4.763 -2.748 1.00 . A A . 16 CYS O 1 1 18 5743 1 1 16 CYS SG S 5.375 -3.656 0.236 1.00 . A A . 16 CYS SG 1 1 18 5744 1 1 17 TYR C C 5.175 -1.257 -4.267 1.00 . A A . 17 TYR C 1 1 18 5745 1 1 17 TYR CA C 4.206 -2.434 -4.207 1.00 . A A . 17 TYR CA 1 1 18 5746 1 1 17 TYR CB C 3.134 -2.280 -5.288 1.00 . A A . 17 TYR CB 1 1 18 5747 1 1 17 TYR CD1 C 4.105 -3.276 -7.395 1.00 . A A . 17 TYR CD1 1 1 18 5748 1 1 17 TYR CD2 C 3.817 -0.913 -7.299 1.00 . A A . 17 TYR CD2 1 1 18 5749 1 1 17 TYR CE1 C 4.620 -3.166 -8.671 1.00 . A A . 17 TYR CE1 1 1 18 5750 1 1 17 TYR CE2 C 4.329 -0.793 -8.575 1.00 . A A . 17 TYR CE2 1 1 18 5751 1 1 17 TYR CG C 3.696 -2.154 -6.686 1.00 . A A . 17 TYR CG 1 1 18 5752 1 1 17 TYR CZ C 4.730 -1.923 -9.258 1.00 . A A . 17 TYR CZ 1 1 18 5753 1 1 17 TYR H H 3.254 -1.721 -2.457 1.00 . A A . 17 TYR H 1 1 18 5754 1 1 17 TYR HA H 4.755 -3.347 -4.387 1.00 . A A . 17 TYR HA 1 1 18 5755 1 1 17 TYR HB3 H 2.551 -1.393 -5.084 1.00 . A A . 17 TYR HB3 1 1 18 5756 1 1 17 TYR HD1 H 4.017 -4.249 -6.933 1.00 . A A . 17 TYR HD1 1 1 18 5757 1 1 17 TYR HD2 H 3.502 -0.029 -6.761 1.00 . A A . 17 TYR HD2 1 1 18 5758 1 1 17 TYR HE1 H 4.933 -4.051 -9.207 1.00 . A A . 17 TYR HE1 1 1 18 5759 1 1 17 TYR HE2 H 4.416 0.180 -9.035 1.00 . A A . 17 TYR HE2 1 1 18 5760 1 1 17 TYR HH H 5.882 -2.507 -10.682 1.00 . A A . 17 TYR HH 1 1 18 5761 1 1 17 TYR N N 3.587 -2.534 -2.891 1.00 . A A . 17 TYR N 1 1 18 5762 1 1 17 TYR O O 4.823 -0.131 -3.920 1.00 . A A . 17 TYR O 1 1 18 5763 1 1 17 TYR OH O 5.241 -1.809 -10.531 1.00 . A A . 17 TYR OH 1 1 18 5764 1 1 18 ALA C C 7.802 0.045 -3.441 1.00 . A A . 18 ALA C 1 1 18 5765 1 1 18 ALA CA C 7.420 -0.493 -4.816 1.00 . A A . 18 ALA CA 1 1 18 5766 1 1 18 ALA CB C 6.932 0.638 -5.710 1.00 . A A . 18 ALA CB 1 1 18 5767 1 1 18 ALA H H 6.620 -2.447 -4.970 1.00 . A A . 18 ALA H 1 1 18 5768 1 1 18 ALA HA H 8.293 -0.932 -5.276 1.00 . A A . 18 ALA HA 1 1 18 5769 1 1 18 ALA HB1 H 6.390 1.358 -5.114 1.00 . A A . 18 ALA HB1 1 1 18 5770 1 1 18 ALA HB2 H 7.779 1.118 -6.175 1.00 . A A . 18 ALA HB2 1 1 18 5771 1 1 18 ALA HB3 H 6.281 0.237 -6.473 1.00 . A A . 18 ALA HB3 1 1 18 5772 1 1 18 ALA N N 6.399 -1.528 -4.709 1.00 . A A . 18 ALA N 1 1 18 5773 1 1 18 ALA O O 7.937 1.253 -3.252 1.00 . A A . 18 ALA O 1 1 18 5774 1 1 19 ARG C C 7.330 0.508 -0.548 1.00 . A A . 19 ARG C 1 1 18 5775 1 1 19 ARG CA C 8.342 -0.477 -1.126 1.00 . A A . 19 ARG CA 1 1 18 5776 1 1 19 ARG CB C 9.741 0.142 -1.108 1.00 . A A . 19 ARG CB 1 1 18 5777 1 1 19 ARG CD C 12.174 -0.363 -1.484 1.00 . A A . 19 ARG CD 1 1 18 5778 1 1 19 ARG CG C 10.855 -0.875 -0.925 1.00 . A A . 19 ARG CG 1 1 18 5779 1 1 19 ARG CZ C 13.256 -0.047 -3.668 1.00 . A A . 19 ARG CZ 1 1 18 5780 1 1 19 ARG H H 7.855 -1.810 -2.696 1.00 . A A . 19 ARG H 1 1 18 5781 1 1 19 ARG HA H 8.345 -1.369 -0.518 1.00 . A A . 19 ARG HA 1 1 18 5782 1 1 19 ARG HB3 H 9.796 0.854 -0.297 1.00 . A A . 19 ARG HB3 1 1 18 5783 1 1 19 ARG HD3 H 12.979 -0.944 -1.058 1.00 . A A . 19 ARG HD3 1 1 18 5784 1 1 19 ARG HE H 11.464 -0.877 -3.395 1.00 . A A . 19 ARG HE 1 1 18 5785 1 1 19 ARG HG3 H 10.586 -1.786 -1.438 1.00 . A A . 19 ARG HG3 1 1 18 5786 1 1 19 ARG HH11 H 14.327 0.608 -2.086 1.00 . A A . 19 ARG HH11 1 1 18 5787 1 1 19 ARG HH12 H 15.079 0.825 -3.632 1.00 . A A . 19 ARG HH12 1 1 18 5788 1 1 19 ARG HH21 H 12.443 -0.598 -5.435 1.00 . A A . 19 ARG HH21 1 1 18 5789 1 1 19 ARG HH22 H 14.006 0.140 -5.536 1.00 . A A . 19 ARG HH22 1 1 18 5790 1 1 19 ARG N N 7.977 -0.862 -2.484 1.00 . A A . 19 ARG N 1 1 18 5791 1 1 19 ARG NE N 12.230 -0.470 -2.939 1.00 . A A . 19 ARG NE 1 1 18 5792 1 1 19 ARG NH1 N 14.307 0.508 -3.080 1.00 . A A . 19 ARG NH1 1 1 18 5793 1 1 19 ARG NH2 N 13.234 -0.179 -4.988 1.00 . A A . 19 ARG NH2 1 1 18 5794 1 1 19 ARG O O 7.631 1.244 0.393 1.00 . A A . 19 ARG O 1 1 18 5795 1 1 20 THR C C 3.696 0.808 -0.908 1.00 . A A . 20 THR C 1 1 18 5796 1 1 20 THR CA C 5.074 1.413 -0.662 1.00 . A A . 20 THR CA 1 1 18 5797 1 1 20 THR CB C 5.154 2.780 -1.365 1.00 . A A . 20 THR CB 1 1 18 5798 1 1 20 THR CG2 C 4.520 3.867 -0.510 1.00 . A A . 20 THR CG2 1 1 18 5799 1 1 20 THR H H 5.951 -0.093 -1.865 1.00 . A A . 20 THR H 1 1 18 5800 1 1 20 THR HA H 5.204 1.568 0.398 1.00 . A A . 20 THR HA 1 1 18 5801 1 1 20 THR HB H 4.617 2.720 -2.301 1.00 . A A . 20 THR HB 1 1 18 5802 1 1 20 THR HG1 H 6.635 3.266 -2.574 1.00 . A A . 20 THR HG1 1 1 18 5803 1 1 20 THR HG21 H 5.081 4.783 -0.618 1.00 . A A . 20 THR HG21 1 1 18 5804 1 1 20 THR HG22 H 4.528 3.561 0.526 1.00 . A A . 20 THR HG22 1 1 18 5805 1 1 20 THR HG23 H 3.502 4.029 -0.830 1.00 . A A . 20 THR HG23 1 1 18 5806 1 1 20 THR N N 6.129 0.518 -1.119 1.00 . A A . 20 THR N 1 1 18 5807 1 1 20 THR O O 3.554 -0.150 -1.668 1.00 . A A . 20 THR O 1 1 18 5808 1 1 20 THR OG1 O 6.521 3.114 -1.633 1.00 . A A . 20 THR OG1 1 1 18 5809 1 1 21 CYS C C 0.601 1.619 -1.544 1.00 . A A . 21 CYS C 1 1 18 5810 1 1 21 CYS CA C 1.315 0.892 -0.408 1.00 . A A . 21 CYS CA 1 1 18 5811 1 1 21 CYS CB C 0.542 1.080 0.898 1.00 . A A . 21 CYS CB 1 1 18 5812 1 1 21 CYS H H 2.859 2.135 0.332 1.00 . A A . 21 CYS H 1 1 18 5813 1 1 21 CYS HA H 1.358 -0.161 -0.642 1.00 . A A . 21 CYS HA 1 1 18 5814 1 1 21 CYS HB3 H -0.489 0.798 0.742 1.00 . A A . 21 CYS HB3 1 1 18 5815 1 1 21 CYS N N 2.683 1.375 -0.261 1.00 . A A . 21 CYS N 1 1 18 5816 1 1 21 CYS O O 0.746 2.831 -1.708 1.00 . A A . 21 CYS O 1 1 18 5817 1 1 21 CYS SG S 1.182 0.095 2.291 1.00 . A A . 21 CYS SG 1 1 18 5818 1 1 22 PHE C C -2.097 0.566 -3.820 1.00 . A A . 22 PHE C 1 1 18 5819 1 1 22 PHE CA C -0.906 1.444 -3.447 1.00 . A A . 22 PHE CA 1 1 18 5820 1 1 22 PHE CB C 0.017 1.613 -4.657 1.00 . A A . 22 PHE CB 1 1 18 5821 1 1 22 PHE CD1 C -1.508 2.654 -6.356 1.00 . A A . 22 PHE CD1 1 1 18 5822 1 1 22 PHE CD2 C 0.377 3.907 -5.606 1.00 . A A . 22 PHE CD2 1 1 18 5823 1 1 22 PHE CE1 C -1.875 3.697 -7.186 1.00 . A A . 22 PHE CE1 1 1 18 5824 1 1 22 PHE CE2 C 0.014 4.953 -6.434 1.00 . A A . 22 PHE CE2 1 1 18 5825 1 1 22 PHE CG C -0.380 2.748 -5.558 1.00 . A A . 22 PHE CG 1 1 18 5826 1 1 22 PHE CZ C -1.112 4.848 -7.226 1.00 . A A . 22 PHE CZ 1 1 18 5827 1 1 22 PHE H H -0.245 -0.089 -2.145 1.00 . A A . 22 PHE H 1 1 18 5828 1 1 22 PHE HA H -1.269 2.413 -3.143 1.00 . A A . 22 PHE HA 1 1 18 5829 1 1 22 PHE HB3 H 0.004 0.705 -5.240 1.00 . A A . 22 PHE HB3 1 1 18 5830 1 1 22 PHE HD1 H -2.106 1.753 -6.327 1.00 . A A . 22 PHE HD1 1 1 18 5831 1 1 22 PHE HD2 H 1.259 3.992 -4.989 1.00 . A A . 22 PHE HD2 1 1 18 5832 1 1 22 PHE HE1 H -2.757 3.610 -7.804 1.00 . A A . 22 PHE HE1 1 1 18 5833 1 1 22 PHE HE2 H 0.613 5.852 -6.463 1.00 . A A . 22 PHE HE2 1 1 18 5834 1 1 22 PHE HZ H -1.398 5.663 -7.873 1.00 . A A . 22 PHE HZ 1 1 18 5835 1 1 22 PHE N N -0.170 0.871 -2.326 1.00 . A A . 22 PHE N 1 1 18 5836 1 1 22 PHE O O -2.025 -0.660 -3.745 1.00 . A A . 22 PHE O 1 1 18 5837 1 1 23 ARG C C -5.105 1.183 -5.764 1.00 . A A . 23 ARG C 1 1 18 5838 1 1 23 ARG CA C -4.399 0.483 -4.606 1.00 . A A . 23 ARG CA 1 1 18 5839 1 1 23 ARG CB C -5.348 0.365 -3.412 1.00 . A A . 23 ARG CB 1 1 18 5840 1 1 23 ARG CD C -7.052 1.479 -1.939 1.00 . A A . 23 ARG CD 1 1 18 5841 1 1 23 ARG CG C -6.003 1.679 -3.021 1.00 . A A . 23 ARG CG 1 1 18 5842 1 1 23 ARG CZ C -9.041 2.706 -2.702 1.00 . A A . 23 ARG CZ 1 1 18 5843 1 1 23 ARG H H -3.186 2.184 -4.262 1.00 . A A . 23 ARG H 1 1 18 5844 1 1 23 ARG HA H -4.108 -0.506 -4.923 1.00 . A A . 23 ARG HA 1 1 18 5845 1 1 23 ARG HB3 H -4.793 -0.003 -2.562 1.00 . A A . 23 ARG HB3 1 1 18 5846 1 1 23 ARG HD3 H -6.924 2.242 -1.187 1.00 . A A . 23 ARG HD3 1 1 18 5847 1 1 23 ARG HE H -8.872 0.719 -2.667 1.00 . A A . 23 ARG HE 1 1 18 5848 1 1 23 ARG HG3 H -6.474 2.109 -3.893 1.00 . A A . 23 ARG HG3 1 1 18 5849 1 1 23 ARG HH11 H -7.510 3.869 -2.083 1.00 . A A . 23 ARG HH11 1 1 18 5850 1 1 23 ARG HH12 H -8.918 4.722 -2.623 1.00 . A A . 23 ARG HH12 1 1 18 5851 1 1 23 ARG HH21 H -10.732 1.830 -3.381 1.00 . A A . 23 ARG HH21 1 1 18 5852 1 1 23 ARG HH22 H -10.750 3.562 -3.360 1.00 . A A . 23 ARG HH22 1 1 18 5853 1 1 23 ARG N N -3.191 1.204 -4.222 1.00 . A A . 23 ARG N 1 1 18 5854 1 1 23 ARG NE N -8.410 1.560 -2.472 1.00 . A A . 23 ARG NE 1 1 18 5855 1 1 23 ARG NH1 N -8.440 3.861 -2.448 1.00 . A A . 23 ARG NH1 1 1 18 5856 1 1 23 ARG NH2 N -10.276 2.699 -3.188 1.00 . A A . 23 ARG NH2 1 1 18 5857 1 1 23 ARG O O -4.858 2.358 -6.035 1.00 . A A . 23 ARG O 1 1 18 5858 1 1 24 ASP C C -7.409 2.312 -7.184 1.00 . A A . 24 ASP C 1 1 18 5859 1 1 24 ASP CA C -6.727 1.003 -7.569 1.00 . A A . 24 ASP CA 1 1 18 5860 1 1 24 ASP CB C -7.768 -0.004 -8.061 1.00 . A A . 24 ASP CB 1 1 18 5861 1 1 24 ASP CG C -7.238 -0.890 -9.170 1.00 . A A . 24 ASP CG 1 1 18 5862 1 1 24 ASP H H -6.138 -0.478 -6.177 1.00 . A A . 24 ASP H 1 1 18 5863 1 1 24 ASP HA H -6.024 1.198 -8.365 1.00 . A A . 24 ASP HA 1 1 18 5864 1 1 24 ASP HB3 H -8.630 0.531 -8.433 1.00 . A A . 24 ASP HB3 1 1 18 5865 1 1 24 ASP N N -5.984 0.453 -6.441 1.00 . A A . 24 ASP N 1 1 18 5866 1 1 24 ASP O O -7.975 2.433 -6.099 1.00 . A A . 24 ASP O 1 1 18 5867 1 1 24 ASP OD1 O -6.373 -1.744 -8.884 1.00 . A A . 24 ASP OD1 1 1 18 5868 1 1 24 ASP OD2 O -7.686 -0.729 -10.324 1.00 . A A . 24 ASP OD2 1 1 18 5869 1 1 25 GLY C C -6.996 5.567 -7.196 1.00 . A A . 25 GLY C 1 1 18 5870 1 1 25 GLY CA C -7.964 4.578 -7.816 1.00 . A A . 25 GLY CA 1 1 18 5871 1 1 25 GLY H H -6.884 3.138 -8.931 1.00 . A A . 25 GLY H 1 1 18 5872 1 1 25 GLY HA2 H -8.332 4.988 -8.745 1.00 . A A . 25 GLY HA2 1 1 18 5873 1 1 25 GLY HA3 H -8.796 4.436 -7.143 1.00 . A A . 25 GLY HA3 1 1 18 5874 1 1 25 GLY N N -7.350 3.291 -8.082 1.00 . A A . 25 GLY N 1 1 18 5875 1 1 25 GLY O O -6.826 6.679 -7.696 1.00 . A A . 25 GLY O 1 1 18 5876 1 1 26 LEU C C -4.507 5.202 -4.488 1.00 . A A . 26 LEU C 1 1 18 5877 1 1 26 LEU CA C -5.406 6.020 -5.409 1.00 . A A . 26 LEU CA 1 1 18 5878 1 1 26 LEU CB C -6.143 7.091 -4.603 1.00 . A A . 26 LEU CB 1 1 18 5879 1 1 26 LEU CD1 C -7.741 7.273 -2.682 1.00 . A A . 26 LEU CD1 1 1 18 5880 1 1 26 LEU CD2 C -8.613 7.173 -5.023 1.00 . A A . 26 LEU CD2 1 1 18 5881 1 1 26 LEU CG C -7.523 6.700 -4.073 1.00 . A A . 26 LEU CG 1 1 18 5882 1 1 26 LEU H H -6.537 4.265 -5.749 1.00 . A A . 26 LEU H 1 1 18 5883 1 1 26 LEU HA H -4.792 6.502 -6.156 1.00 . A A . 26 LEU HA 1 1 18 5884 1 1 26 LEU HB3 H -6.264 7.957 -5.238 1.00 . A A . 26 LEU HB3 1 1 18 5885 1 1 26 LEU HD11 H -8.282 8.205 -2.756 1.00 . A A . 26 LEU HD11 1 1 18 5886 1 1 26 LEU HD12 H -6.786 7.448 -2.209 1.00 . A A . 26 LEU HD12 1 1 18 5887 1 1 26 LEU HD13 H -8.311 6.573 -2.089 1.00 . A A . 26 LEU HD13 1 1 18 5888 1 1 26 LEU HD21 H -9.202 7.939 -4.543 1.00 . A A . 26 LEU HD21 1 1 18 5889 1 1 26 LEU HD22 H -9.249 6.340 -5.283 1.00 . A A . 26 LEU HD22 1 1 18 5890 1 1 26 LEU HD23 H -8.160 7.573 -5.919 1.00 . A A . 26 LEU HD23 1 1 18 5891 1 1 26 LEU HG H -7.583 5.622 -4.002 1.00 . A A . 26 LEU HG 1 1 18 5892 1 1 26 LEU N N -6.361 5.161 -6.101 1.00 . A A . 26 LEU N 1 1 18 5893 1 1 26 LEU O O -4.821 4.070 -4.118 1.00 . A A . 26 LEU O 1 1 18 5894 1 1 27 PRO C C -2.917 4.994 -1.793 1.00 . A A . 27 PRO C 1 1 18 5895 1 1 27 PRO CA C -2.395 5.132 -3.219 1.00 . A A . 27 PRO CA 1 1 18 5896 1 1 27 PRO CB C -1.186 6.069 -3.258 1.00 . A A . 27 PRO CB 1 1 18 5897 1 1 27 PRO CD C -2.924 7.134 -4.506 1.00 . A A . 27 PRO CD 1 1 18 5898 1 1 27 PRO CG C -1.752 7.403 -3.603 1.00 . A A . 27 PRO CG 1 1 18 5899 1 1 27 PRO HA H -2.111 4.159 -3.592 1.00 . A A . 27 PRO HA 1 1 18 5900 1 1 27 PRO HB3 H -0.488 5.730 -4.008 1.00 . A A . 27 PRO HB3 1 1 18 5901 1 1 27 PRO HD3 H -2.614 7.146 -5.540 1.00 . A A . 27 PRO HD3 1 1 18 5902 1 1 27 PRO HG3 H -1.009 7.993 -4.120 1.00 . A A . 27 PRO HG3 1 1 18 5903 1 1 27 PRO N N -3.362 5.787 -4.105 1.00 . A A . 27 PRO N 1 1 18 5904 1 1 27 PRO O O -2.554 4.061 -1.076 1.00 . A A . 27 PRO O 1 1 19 5905 1 1 1 SER C C -3.085 4.536 -0.145 1.00 . A A . 1 SER C 1 1 19 5906 1 1 1 SER CA C -2.431 5.388 -1.228 1.00 . A A . 1 SER CA 1 1 19 5907 1 1 1 SER CB C -3.146 6.737 -1.334 1.00 . A A . 1 SER CB 1 1 19 5908 1 1 1 SER H1 H -3.314 4.437 -2.901 1.00 . A A . 1 SER H1 1 1 19 5909 1 1 1 SER HA H -1.398 5.557 -0.961 1.00 . A A . 1 SER HA 1 1 19 5910 1 1 1 SER HB3 H -2.701 7.315 -2.131 1.00 . A A . 1 SER HB3 1 1 19 5911 1 1 1 SER HG H -5.041 7.124 -1.028 1.00 . A A . 1 SER HG 1 1 19 5912 1 1 1 SER N N -2.453 4.701 -2.515 1.00 . A A . 1 SER N 1 1 19 5913 1 1 1 SER O O -4.302 4.573 0.039 1.00 . A A . 1 SER O 1 1 19 5914 1 1 1 SER OG O -4.524 6.563 -1.609 1.00 . A A . 1 SER OG 1 1 19 5915 1 1 2 CYS C C -1.806 2.897 2.820 1.00 . A A . 2 CYS C 1 1 19 5916 1 1 2 CYS CA C -2.766 2.906 1.634 1.00 . A A . 2 CYS CA 1 1 19 5917 1 1 2 CYS CB C -2.964 1.481 1.114 1.00 . A A . 2 CYS CB 1 1 19 5918 1 1 2 CYS H H -1.307 3.782 0.375 1.00 . A A . 2 CYS H 1 1 19 5919 1 1 2 CYS HA H -3.718 3.297 1.961 1.00 . A A . 2 CYS HA 1 1 19 5920 1 1 2 CYS HB3 H -2.215 0.838 1.552 1.00 . A A . 2 CYS HB3 1 1 19 5921 1 1 2 CYS N N -2.269 3.769 0.569 1.00 . A A . 2 CYS N 1 1 19 5922 1 1 2 CYS O O -0.591 2.804 2.647 1.00 . A A . 2 CYS O 1 1 19 5923 1 1 2 CYS SG S -4.598 0.771 1.495 1.00 . A A . 2 CYS SG 1 1 19 5924 1 1 3 GLY C C -0.863 1.660 5.463 1.00 . A A . 3 GLY C 1 1 19 5925 1 1 3 GLY CA C -1.538 2.996 5.221 1.00 . A A . 3 GLY CA 1 1 19 5926 1 1 3 GLY H H -3.334 3.066 4.101 1.00 . A A . 3 GLY H 1 1 19 5927 1 1 3 GLY HA2 H -0.780 3.759 5.123 1.00 . A A . 3 GLY HA2 1 1 19 5928 1 1 3 GLY HA3 H -2.163 3.229 6.071 1.00 . A A . 3 GLY HA3 1 1 19 5929 1 1 3 GLY N N -2.360 2.994 4.024 1.00 . A A . 3 GLY N 1 1 19 5930 1 1 3 GLY O O -0.417 1.004 4.522 1.00 . A A . 3 GLY O 1 1 19 5931 1 1 4 GLY C C 1.303 -0.052 6.670 1.00 . A A . 4 GLY C 1 1 19 5932 1 1 4 GLY CA C -0.159 -0.007 7.066 1.00 . A A . 4 GLY CA 1 1 19 5933 1 1 4 GLY H H -1.162 1.821 7.436 1.00 . A A . 4 GLY H 1 1 19 5934 1 1 4 GLY HA2 H -0.237 -0.160 8.132 1.00 . A A . 4 GLY HA2 1 1 19 5935 1 1 4 GLY HA3 H -0.682 -0.804 6.558 1.00 . A A . 4 GLY HA3 1 1 19 5936 1 1 4 GLY N N -0.788 1.257 6.727 1.00 . A A . 4 GLY N 1 1 19 5937 1 1 4 GLY O O 1.769 0.783 5.895 1.00 . A A . 4 GLY O 1 1 19 5938 1 1 5 SER C C 3.678 -2.285 5.885 1.00 . A A . 5 SER C 1 1 19 5939 1 1 5 SER CA C 3.450 -1.175 6.906 1.00 . A A . 5 SER CA 1 1 19 5940 1 1 5 SER CB C 4.233 -1.474 8.185 1.00 . A A . 5 SER CB 1 1 19 5941 1 1 5 SER H H 1.601 -1.663 7.815 1.00 . A A . 5 SER H 1 1 19 5942 1 1 5 SER HA H 3.799 -0.242 6.490 1.00 . A A . 5 SER HA 1 1 19 5943 1 1 5 SER HB3 H 4.753 -0.582 8.502 1.00 . A A . 5 SER HB3 1 1 19 5944 1 1 5 SER HG H 3.083 -2.795 9.063 1.00 . A A . 5 SER HG 1 1 19 5945 1 1 5 SER N N 2.030 -1.028 7.203 1.00 . A A . 5 SER N 1 1 19 5946 1 1 5 SER O O 2.894 -3.230 5.791 1.00 . A A . 5 SER O 1 1 19 5947 1 1 5 SER OG O 3.368 -1.893 9.227 1.00 . A A . 5 SER OG 1 1 19 5948 1 1 6 CYS C C 5.834 -4.340 4.724 1.00 . A A . 6 CYS C 1 1 19 5949 1 1 6 CYS CA C 5.093 -3.157 4.106 1.00 . A A . 6 CYS CA 1 1 19 5950 1 1 6 CYS CB C 5.948 -2.523 3.006 1.00 . A A . 6 CYS CB 1 1 19 5951 1 1 6 CYS H H 5.347 -1.390 5.243 1.00 . A A . 6 CYS H 1 1 19 5952 1 1 6 CYS HA H 4.171 -3.513 3.673 1.00 . A A . 6 CYS HA 1 1 19 5953 1 1 6 CYS HB3 H 6.610 -3.273 2.600 1.00 . A A . 6 CYS HB3 1 1 19 5954 1 1 6 CYS N N 4.759 -2.166 5.121 1.00 . A A . 6 CYS N 1 1 19 5955 1 1 6 CYS O O 5.844 -5.439 4.169 1.00 . A A . 6 CYS O 1 1 19 5956 1 1 6 CYS SG S 4.985 -1.826 1.626 1.00 . A A . 6 CYS SG 1 1 19 5957 1 1 7 PHE C C 6.250 -6.127 7.259 1.00 . A A . 7 PHE C 1 1 19 5958 1 1 7 PHE CA C 7.198 -5.151 6.570 1.00 . A A . 7 PHE CA 1 1 19 5959 1 1 7 PHE CB C 8.148 -4.533 7.597 1.00 . A A . 7 PHE CB 1 1 19 5960 1 1 7 PHE CD1 C 10.411 -5.597 7.398 1.00 . A A . 7 PHE CD1 1 1 19 5961 1 1 7 PHE CD2 C 9.007 -6.253 9.210 1.00 . A A . 7 PHE CD2 1 1 19 5962 1 1 7 PHE CE1 C 11.389 -6.469 7.838 1.00 . A A . 7 PHE CE1 1 1 19 5963 1 1 7 PHE CE2 C 9.981 -7.125 9.655 1.00 . A A . 7 PHE CE2 1 1 19 5964 1 1 7 PHE CG C 9.210 -5.480 8.078 1.00 . A A . 7 PHE CG 1 1 19 5965 1 1 7 PHE CZ C 11.175 -7.233 8.968 1.00 . A A . 7 PHE CZ 1 1 19 5966 1 1 7 PHE H H 6.409 -3.208 6.269 1.00 . A A . 7 PHE H 1 1 19 5967 1 1 7 PHE HA H 7.777 -5.687 5.834 1.00 . A A . 7 PHE HA 1 1 19 5968 1 1 7 PHE HB3 H 7.578 -4.208 8.455 1.00 . A A . 7 PHE HB3 1 1 19 5969 1 1 7 PHE HD1 H 10.581 -5.000 6.514 1.00 . A A . 7 PHE HD1 1 1 19 5970 1 1 7 PHE HD2 H 8.073 -6.168 9.748 1.00 . A A . 7 PHE HD2 1 1 19 5971 1 1 7 PHE HE1 H 12.322 -6.552 7.300 1.00 . A A . 7 PHE HE1 1 1 19 5972 1 1 7 PHE HE2 H 9.810 -7.721 10.539 1.00 . A A . 7 PHE HE2 1 1 19 5973 1 1 7 PHE HZ H 11.937 -7.915 9.314 1.00 . A A . 7 PHE HZ 1 1 19 5974 1 1 7 PHE N N 6.454 -4.106 5.876 1.00 . A A . 7 PHE N 1 1 19 5975 1 1 7 PHE O O 6.642 -7.233 7.628 1.00 . A A . 7 PHE O 1 1 19 5976 1 1 8 GLY C C 2.714 -6.628 7.300 1.00 . A A . 8 GLY C 1 1 19 5977 1 1 8 GLY CA C 4.015 -6.557 8.076 1.00 . A A . 8 GLY CA 1 1 19 5978 1 1 8 GLY H H 4.744 -4.816 7.115 1.00 . A A . 8 GLY H 1 1 19 5979 1 1 8 GLY HA2 H 4.421 -7.553 8.170 1.00 . A A . 8 GLY HA2 1 1 19 5980 1 1 8 GLY HA3 H 3.812 -6.166 9.062 1.00 . A A . 8 GLY HA3 1 1 19 5981 1 1 8 GLY N N 5.000 -5.708 7.430 1.00 . A A . 8 GLY N 1 1 19 5982 1 1 8 GLY O O 1.661 -6.917 7.867 1.00 . A A . 8 GLY O 1 1 19 5983 1 1 9 GLY C C 0.896 -5.060 5.097 1.00 . A A . 9 GLY C 1 1 19 5984 1 1 9 GLY CA C 1.598 -6.400 5.168 1.00 . A A . 9 GLY CA 1 1 19 5985 1 1 9 GLY H H 3.654 -6.137 5.602 1.00 . A A . 9 GLY H 1 1 19 5986 1 1 9 GLY HA2 H 1.881 -6.701 4.169 1.00 . A A . 9 GLY HA2 1 1 19 5987 1 1 9 GLY HA3 H 0.913 -7.131 5.572 1.00 . A A . 9 GLY HA3 1 1 19 5988 1 1 9 GLY N N 2.787 -6.362 6.000 1.00 . A A . 9 GLY N 1 1 19 5989 1 1 9 GLY O O 0.628 -4.435 6.124 1.00 . A A . 9 GLY O 1 1 19 5990 1 1 10 CYS C C -1.476 -3.356 4.287 1.00 . A A . 10 CYS C 1 1 19 5991 1 1 10 CYS CA C -0.076 -3.336 3.679 1.00 . A A . 10 CYS CA 1 1 19 5992 1 1 10 CYS CB C -0.162 -3.012 2.186 1.00 . A A . 10 CYS CB 1 1 19 5993 1 1 10 CYS H H 0.836 -5.156 3.100 1.00 . A A . 10 CYS H 1 1 19 5994 1 1 10 CYS HA H 0.506 -2.572 4.171 1.00 . A A . 10 CYS HA 1 1 19 5995 1 1 10 CYS HB3 H -1.062 -2.444 2.000 1.00 . A A . 10 CYS HB3 1 1 19 5996 1 1 10 CYS N N 0.597 -4.613 3.881 1.00 . A A . 10 CYS N 1 1 19 5997 1 1 10 CYS O O -1.938 -4.390 4.771 1.00 . A A . 10 CYS O 1 1 19 5998 1 1 10 CYS SG S 1.246 -2.044 1.554 1.00 . A A . 10 CYS SG 1 1 19 5999 1 1 11 TRP C C -4.398 -3.188 4.251 1.00 . A A . 11 TRP C 1 1 19 6000 1 1 11 TRP CA C -3.491 -2.095 4.806 1.00 . A A . 11 TRP CA 1 1 19 6001 1 1 11 TRP CB C -4.078 -0.720 4.488 1.00 . A A . 11 TRP CB 1 1 19 6002 1 1 11 TRP CD1 C -3.654 0.165 6.857 1.00 . A A . 11 TRP CD1 1 1 19 6003 1 1 11 TRP CD2 C -5.537 0.928 5.912 1.00 . A A . 11 TRP CD2 1 1 19 6004 1 1 11 TRP CE2 C -5.422 1.485 7.201 1.00 . A A . 11 TRP CE2 1 1 19 6005 1 1 11 TRP CE3 C -6.642 1.265 5.129 1.00 . A A . 11 TRP CE3 1 1 19 6006 1 1 11 TRP CG C -4.395 0.087 5.712 1.00 . A A . 11 TRP CG 1 1 19 6007 1 1 11 TRP CH2 C -7.445 2.673 6.932 1.00 . A A . 11 TRP CH2 1 1 19 6008 1 1 11 TRP CZ2 C -6.373 2.358 7.721 1.00 . A A . 11 TRP CZ2 1 1 19 6009 1 1 11 TRP CZ3 C -7.585 2.133 5.646 1.00 . A A . 11 TRP CZ3 1 1 19 6010 1 1 11 TRP H H -1.723 -1.420 3.858 1.00 . A A . 11 TRP H 1 1 19 6011 1 1 11 TRP HA H -3.422 -2.210 5.878 1.00 . A A . 11 TRP HA 1 1 19 6012 1 1 11 TRP HB3 H -4.992 -0.847 3.927 1.00 . A A . 11 TRP HB3 1 1 19 6013 1 1 11 TRP HD1 H -2.726 -0.363 7.017 1.00 . A A . 11 TRP HD1 1 1 19 6014 1 1 11 TRP HE1 H -3.929 1.222 8.650 1.00 . A A . 11 TRP HE1 1 1 19 6015 1 1 11 TRP HE3 H -6.767 0.860 4.135 1.00 . A A . 11 TRP HE3 1 1 19 6016 1 1 11 TRP HH2 H -8.206 3.346 7.295 1.00 . A A . 11 TRP HH2 1 1 19 6017 1 1 11 TRP HZ2 H -6.280 2.783 8.709 1.00 . A A . 11 TRP HZ2 1 1 19 6018 1 1 11 TRP HZ3 H -8.447 2.406 5.054 1.00 . A A . 11 TRP HZ3 1 1 19 6019 1 1 11 TRP N N -2.145 -2.210 4.257 1.00 . A A . 11 TRP N 1 1 19 6020 1 1 11 TRP NE1 N -4.266 1.003 7.757 1.00 . A A . 11 TRP NE1 1 1 19 6021 1 1 11 TRP O O -4.062 -3.898 3.286 1.00 . A A . 11 TRP O 1 1 19 6022 1 1 12 HYP C C -7.190 -4.069 3.110 1.00 . A A . 12 HYP C 1 1 19 6023 1 1 12 HYP CA C -6.565 -4.358 4.465 1.00 . A A . 12 HYP CA 1 1 19 6024 1 1 12 HYP CB C -7.627 -4.290 5.577 1.00 . A A . 12 HYP CB 1 1 19 6025 1 1 12 HYP CD C -6.067 -2.562 6.001 1.00 . A A . 12 HYP CD 1 1 19 6026 1 1 12 HYP CG C -6.962 -3.547 6.678 1.00 . A A . 12 HYP CG 1 1 19 6027 1 1 12 HYP HA H -6.124 -5.344 4.450 1.00 . A A . 12 HYP HA 1 1 19 6028 1 1 12 HYP HB2 H -7.896 -5.290 5.885 1.00 . A A . 12 HYP HB2 1 1 19 6029 1 1 12 HYP HB3 H -8.502 -3.765 5.220 1.00 . A A . 12 HYP HB3 1 1 19 6030 1 1 12 HYP HD1 H -5.968 -5.317 6.888 1.00 . A A . 12 HYP HD1 1 1 19 6031 1 1 12 HYP HD22 H -6.861 -1.757 5.774 1.00 . A A . 12 HYP HD22 1 1 19 6032 1 1 12 HYP HD23 H -5.456 -2.260 6.745 1.00 . A A . 12 HYP HD23 1 1 19 6033 1 1 12 HYP HG H -7.827 -3.260 7.342 1.00 . A A . 12 HYP HG 1 1 19 6034 1 1 12 HYP N N -5.584 -3.344 4.864 1.00 . A A . 12 HYP N 1 1 19 6035 1 1 12 HYP O O -7.843 -3.047 2.908 1.00 . A A . 12 HYP O 1 1 19 6036 1 1 12 HYP OD1 O -6.201 -4.558 7.444 1.00 . A A . 12 HYP OD1 1 1 19 6037 1 1 13 GLY C C -6.547 -4.142 -0.102 1.00 . A A . 13 GLY C 1 1 19 6038 1 1 13 GLY CA C -7.519 -4.828 0.838 1.00 . A A . 13 GLY CA 1 1 19 6039 1 1 13 GLY H H -6.448 -5.786 2.394 1.00 . A A . 13 GLY H 1 1 19 6040 1 1 13 GLY HA2 H -7.763 -5.801 0.440 1.00 . A A . 13 GLY HA2 1 1 19 6041 1 1 13 GLY HA3 H -8.422 -4.237 0.897 1.00 . A A . 13 GLY HA3 1 1 19 6042 1 1 13 GLY N N -6.977 -4.990 2.175 1.00 . A A . 13 GLY N 1 1 19 6043 1 1 13 GLY O O -6.898 -3.807 -1.234 1.00 . A A . 13 GLY O 1 1 19 6044 1 1 14 CYS C C -3.104 -4.209 -0.656 1.00 . A A . 14 CYS C 1 1 19 6045 1 1 14 CYS CA C -4.295 -3.280 -0.437 1.00 . A A . 14 CYS CA 1 1 19 6046 1 1 14 CYS CB C -3.832 -1.989 0.239 1.00 . A A . 14 CYS CB 1 1 19 6047 1 1 14 CYS H H -5.101 -4.223 1.278 1.00 . A A . 14 CYS H 1 1 19 6048 1 1 14 CYS HA H -4.729 -3.039 -1.396 1.00 . A A . 14 CYS HA 1 1 19 6049 1 1 14 CYS HB3 H -2.929 -1.643 -0.243 1.00 . A A . 14 CYS HB3 1 1 19 6050 1 1 14 CYS N N -5.321 -3.932 0.367 1.00 . A A . 14 CYS N 1 1 19 6051 1 1 14 CYS O O -3.129 -5.372 -0.255 1.00 . A A . 14 CYS O 1 1 19 6052 1 1 14 CYS SG S -5.050 -0.636 0.172 1.00 . A A . 14 CYS SG 1 1 19 6053 1 1 15 SER C C 0.385 -3.594 -1.492 1.00 . A A . 15 SER C 1 1 19 6054 1 1 15 SER CA C -0.863 -4.468 -1.570 1.00 . A A . 15 SER CA 1 1 19 6055 1 1 15 SER CB C -0.958 -5.117 -2.952 1.00 . A A . 15 SER CB 1 1 19 6056 1 1 15 SER H H -2.103 -2.752 -1.590 1.00 . A A . 15 SER H 1 1 19 6057 1 1 15 SER HA H -0.794 -5.243 -0.822 1.00 . A A . 15 SER HA 1 1 19 6058 1 1 15 SER HB3 H -0.879 -6.190 -2.849 1.00 . A A . 15 SER HB3 1 1 19 6059 1 1 15 SER HG H -2.193 -5.152 -4.474 1.00 . A A . 15 SER HG 1 1 19 6060 1 1 15 SER N N -2.062 -3.685 -1.294 1.00 . A A . 15 SER N 1 1 19 6061 1 1 15 SER O O 0.305 -2.368 -1.566 1.00 . A A . 15 SER O 1 1 19 6062 1 1 15 SER OG O -2.193 -4.809 -3.577 1.00 . A A . 15 SER OG 1 1 19 6063 1 1 16 CYS C C 3.583 -3.620 -2.561 1.00 . A A . 16 CYS C 1 1 19 6064 1 1 16 CYS CA C 2.807 -3.519 -1.251 1.00 . A A . 16 CYS CA 1 1 19 6065 1 1 16 CYS CB C 3.650 -4.073 -0.101 1.00 . A A . 16 CYS CB 1 1 19 6066 1 1 16 CYS H H 1.540 -5.215 -1.288 1.00 . A A . 16 CYS H 1 1 19 6067 1 1 16 CYS HA H 2.587 -2.480 -1.056 1.00 . A A . 16 CYS HA 1 1 19 6068 1 1 16 CYS HB3 H 3.895 -5.104 -0.309 1.00 . A A . 16 CYS HB3 1 1 19 6069 1 1 16 CYS N N 1.540 -4.235 -1.341 1.00 . A A . 16 CYS N 1 1 19 6070 1 1 16 CYS O O 4.019 -4.703 -2.953 1.00 . A A . 16 CYS O 1 1 19 6071 1 1 16 CYS SG S 5.210 -3.176 0.178 1.00 . A A . 16 CYS SG 1 1 19 6072 1 1 17 TYR C C 5.288 -1.164 -4.621 1.00 . A A . 17 TYR C 1 1 19 6073 1 1 17 TYR CA C 4.473 -2.448 -4.498 1.00 . A A . 17 TYR CA 1 1 19 6074 1 1 17 TYR CB C 3.496 -2.559 -5.670 1.00 . A A . 17 TYR CB 1 1 19 6075 1 1 17 TYR CD1 C 5.206 -3.423 -7.313 1.00 . A A . 17 TYR CD1 1 1 19 6076 1 1 17 TYR CD2 C 3.769 -1.655 -8.011 1.00 . A A . 17 TYR CD2 1 1 19 6077 1 1 17 TYR CE1 C 5.826 -3.414 -8.548 1.00 . A A . 17 TYR CE1 1 1 19 6078 1 1 17 TYR CE2 C 4.381 -1.641 -9.250 1.00 . A A . 17 TYR CE2 1 1 19 6079 1 1 17 TYR CG C 4.169 -2.546 -7.023 1.00 . A A . 17 TYR CG 1 1 19 6080 1 1 17 TYR CZ C 5.409 -2.522 -9.513 1.00 . A A . 17 TYR CZ 1 1 19 6081 1 1 17 TYR H H 3.380 -1.656 -2.868 1.00 . A A . 17 TYR H 1 1 19 6082 1 1 17 TYR HA H 5.146 -3.292 -4.522 1.00 . A A . 17 TYR HA 1 1 19 6083 1 1 17 TYR HB3 H 2.805 -1.729 -5.634 1.00 . A A . 17 TYR HB3 1 1 19 6084 1 1 17 TYR HD1 H 5.532 -4.121 -6.555 1.00 . A A . 17 TYR HD1 1 1 19 6085 1 1 17 TYR HD2 H 2.963 -0.966 -7.802 1.00 . A A . 17 TYR HD2 1 1 19 6086 1 1 17 TYR HE1 H 6.631 -4.104 -8.755 1.00 . A A . 17 TYR HE1 1 1 19 6087 1 1 17 TYR HE2 H 4.055 -0.941 -10.005 1.00 . A A . 17 TYR HE2 1 1 19 6088 1 1 17 TYR HH H 5.497 -1.989 -11.358 1.00 . A A . 17 TYR HH 1 1 19 6089 1 1 17 TYR N N 3.751 -2.486 -3.232 1.00 . A A . 17 TYR N 1 1 19 6090 1 1 17 TYR O O 4.805 -0.077 -4.308 1.00 . A A . 17 TYR O 1 1 19 6091 1 1 17 TYR OH O 6.022 -2.509 -10.745 1.00 . A A . 17 TYR OH 1 1 19 6092 1 1 18 ALA C C 7.769 0.466 -3.902 1.00 . A A . 18 ALA C 1 1 19 6093 1 1 18 ALA CA C 7.410 -0.152 -5.249 1.00 . A A . 18 ALA CA 1 1 19 6094 1 1 18 ALA CB C 6.760 0.885 -6.152 1.00 . A A . 18 ALA CB 1 1 19 6095 1 1 18 ALA H H 6.855 -2.194 -5.315 1.00 . A A . 18 ALA H 1 1 19 6096 1 1 18 ALA HA H 8.315 -0.495 -5.729 1.00 . A A . 18 ALA HA 1 1 19 6097 1 1 18 ALA HB1 H 6.030 0.403 -6.786 1.00 . A A . 18 ALA HB1 1 1 19 6098 1 1 18 ALA HB2 H 6.273 1.635 -5.547 1.00 . A A . 18 ALA HB2 1 1 19 6099 1 1 18 ALA HB3 H 7.516 1.353 -6.765 1.00 . A A . 18 ALA HB3 1 1 19 6100 1 1 18 ALA N N 6.527 -1.300 -5.080 1.00 . A A . 18 ALA N 1 1 19 6101 1 1 18 ALA O O 7.733 1.686 -3.739 1.00 . A A . 18 ALA O 1 1 19 6102 1 1 19 ARG C C 7.383 0.970 -1.023 1.00 . A A . 19 ARG C 1 1 19 6103 1 1 19 ARG CA C 8.477 0.081 -1.605 1.00 . A A . 19 ARG CA 1 1 19 6104 1 1 19 ARG CB C 9.801 0.847 -1.652 1.00 . A A . 19 ARG CB 1 1 19 6105 1 1 19 ARG CD C 12.185 0.774 -0.862 1.00 . A A . 19 ARG CD 1 1 19 6106 1 1 19 ARG CG C 10.731 0.527 -0.494 1.00 . A A . 19 ARG CG 1 1 19 6107 1 1 19 ARG CZ C 13.940 2.381 -0.245 1.00 . A A . 19 ARG CZ 1 1 19 6108 1 1 19 ARG H H 8.124 -1.344 -3.130 1.00 . A A . 19 ARG H 1 1 19 6109 1 1 19 ARG HA H 8.595 -0.786 -0.974 1.00 . A A . 19 ARG HA 1 1 19 6110 1 1 19 ARG HB3 H 9.590 1.906 -1.635 1.00 . A A . 19 ARG HB3 1 1 19 6111 1 1 19 ARG HD3 H 12.226 1.172 -1.865 1.00 . A A . 19 ARG HD3 1 1 19 6112 1 1 19 ARG HE H 12.407 1.863 0.921 1.00 . A A . 19 ARG HE 1 1 19 6113 1 1 19 ARG HG3 H 10.609 -0.512 -0.223 1.00 . A A . 19 ARG HG3 1 1 19 6114 1 1 19 ARG HH11 H 14.138 1.572 -2.084 1.00 . A A . 19 ARG HH11 1 1 19 6115 1 1 19 ARG HH12 H 15.368 2.706 -1.638 1.00 . A A . 19 ARG HH12 1 1 19 6116 1 1 19 ARG HH21 H 14.021 3.359 1.523 1.00 . A A . 19 ARG HH21 1 1 19 6117 1 1 19 ARG HH22 H 15.302 3.722 0.415 1.00 . A A . 19 ARG HH22 1 1 19 6118 1 1 19 ARG N N 8.114 -0.383 -2.939 1.00 . A A . 19 ARG N 1 1 19 6119 1 1 19 ARG NE N 12.828 1.718 0.049 1.00 . A A . 19 ARG NE 1 1 19 6120 1 1 19 ARG NH1 N 14.531 2.205 -1.419 1.00 . A A . 19 ARG NH1 1 1 19 6121 1 1 19 ARG NH2 N 14.464 3.223 0.637 1.00 . A A . 19 ARG NH2 1 1 19 6122 1 1 19 ARG O O 7.636 1.783 -0.133 1.00 . A A . 19 ARG O 1 1 19 6123 1 1 20 THR C C 3.726 0.825 -1.208 1.00 . A A . 20 THR C 1 1 19 6124 1 1 20 THR CA C 5.032 1.598 -1.060 1.00 . A A . 20 THR CA 1 1 19 6125 1 1 20 THR CB C 4.918 2.929 -1.827 1.00 . A A . 20 THR CB 1 1 19 6126 1 1 20 THR CG2 C 4.195 3.974 -0.991 1.00 . A A . 20 THR CG2 1 1 19 6127 1 1 20 THR H H 6.025 0.145 -2.235 1.00 . A A . 20 THR H 1 1 19 6128 1 1 20 THR HA H 5.191 1.821 -0.015 1.00 . A A . 20 THR HA 1 1 19 6129 1 1 20 THR HB H 4.352 2.758 -2.732 1.00 . A A . 20 THR HB 1 1 19 6130 1 1 20 THR HG1 H 6.435 3.130 -3.070 1.00 . A A . 20 THR HG1 1 1 19 6131 1 1 20 THR HG21 H 4.301 3.734 0.056 1.00 . A A . 20 THR HG21 1 1 19 6132 1 1 20 THR HG22 H 3.148 3.984 -1.254 1.00 . A A . 20 THR HG22 1 1 19 6133 1 1 20 THR HG23 H 4.623 4.946 -1.183 1.00 . A A . 20 THR HG23 1 1 19 6134 1 1 20 THR N N 6.164 0.809 -1.529 1.00 . A A . 20 THR N 1 1 19 6135 1 1 20 THR O O 3.663 -0.179 -1.919 1.00 . A A . 20 THR O 1 1 19 6136 1 1 20 THR OG1 O 6.222 3.406 -2.175 1.00 . A A . 20 THR OG1 1 1 19 6137 1 1 21 CYS C C 0.576 1.153 -1.789 1.00 . A A . 21 CYS C 1 1 19 6138 1 1 21 CYS CA C 1.377 0.654 -0.590 1.00 . A A . 21 CYS CA 1 1 19 6139 1 1 21 CYS CB C 0.600 0.915 0.702 1.00 . A A . 21 CYS CB 1 1 19 6140 1 1 21 CYS H H 2.795 2.104 0.017 1.00 . A A . 21 CYS H 1 1 19 6141 1 1 21 CYS HA H 1.536 -0.408 -0.696 1.00 . A A . 21 CYS HA 1 1 19 6142 1 1 21 CYS HB3 H -0.450 0.745 0.522 1.00 . A A . 21 CYS HB3 1 1 19 6143 1 1 21 CYS N N 2.684 1.299 -0.534 1.00 . A A . 21 CYS N 1 1 19 6144 1 1 21 CYS O O 1.017 2.042 -2.518 1.00 . A A . 21 CYS O 1 1 19 6145 1 1 21 CYS SG S 1.104 -0.142 2.098 1.00 . A A . 21 CYS SG 1 1 19 6146 1 1 22 PHE C C -2.911 0.534 -2.835 1.00 . A A . 22 PHE C 1 1 19 6147 1 1 22 PHE CA C -1.469 0.960 -3.094 1.00 . A A . 22 PHE CA 1 1 19 6148 1 1 22 PHE CB C -0.969 0.336 -4.399 1.00 . A A . 22 PHE CB 1 1 19 6149 1 1 22 PHE CD1 C -2.417 1.415 -6.140 1.00 . A A . 22 PHE CD1 1 1 19 6150 1 1 22 PHE CD2 C -0.075 1.855 -6.184 1.00 . A A . 22 PHE CD2 1 1 19 6151 1 1 22 PHE CE1 C -2.595 2.228 -7.244 1.00 . A A . 22 PHE CE1 1 1 19 6152 1 1 22 PHE CE2 C -0.246 2.671 -7.287 1.00 . A A . 22 PHE CE2 1 1 19 6153 1 1 22 PHE CG C -1.157 1.219 -5.599 1.00 . A A . 22 PHE CG 1 1 19 6154 1 1 22 PHE CZ C -1.507 2.856 -7.819 1.00 . A A . 22 PHE CZ 1 1 19 6155 1 1 22 PHE H H -0.902 -0.128 -1.369 1.00 . A A . 22 PHE H 1 1 19 6156 1 1 22 PHE HA H -1.434 2.035 -3.184 1.00 . A A . 22 PHE HA 1 1 19 6157 1 1 22 PHE HB3 H -1.503 -0.586 -4.577 1.00 . A A . 22 PHE HB3 1 1 19 6158 1 1 22 PHE HD1 H -3.269 0.923 -5.692 1.00 . A A . 22 PHE HD1 1 1 19 6159 1 1 22 PHE HD2 H 0.912 1.711 -5.770 1.00 . A A . 22 PHE HD2 1 1 19 6160 1 1 22 PHE HE1 H -3.583 2.371 -7.656 1.00 . A A . 22 PHE HE1 1 1 19 6161 1 1 22 PHE HE2 H 0.606 3.160 -7.735 1.00 . A A . 22 PHE HE2 1 1 19 6162 1 1 22 PHE HZ H -1.644 3.492 -8.680 1.00 . A A . 22 PHE HZ 1 1 19 6163 1 1 22 PHE N N -0.604 0.575 -1.985 1.00 . A A . 22 PHE N 1 1 19 6164 1 1 22 PHE O O -3.163 -0.536 -2.281 1.00 . A A . 22 PHE O 1 1 19 6165 1 1 23 ARG C C -6.051 1.327 -4.336 1.00 . A A . 23 ARG C 1 1 19 6166 1 1 23 ARG CA C -5.270 1.093 -3.046 1.00 . A A . 23 ARG CA 1 1 19 6167 1 1 23 ARG CB C -5.842 1.964 -1.926 1.00 . A A . 23 ARG CB 1 1 19 6168 1 1 23 ARG CD C -6.997 4.151 -1.484 1.00 . A A . 23 ARG CD 1 1 19 6169 1 1 23 ARG CG C -5.912 3.440 -2.277 1.00 . A A . 23 ARG CG 1 1 19 6170 1 1 23 ARG CZ C -7.949 4.029 0.780 1.00 . A A . 23 ARG CZ 1 1 19 6171 1 1 23 ARG H H -3.590 2.218 -3.673 1.00 . A A . 23 ARG H 1 1 19 6172 1 1 23 ARG HA H -5.363 0.055 -2.767 1.00 . A A . 23 ARG HA 1 1 19 6173 1 1 23 ARG HB3 H -5.222 1.853 -1.049 1.00 . A A . 23 ARG HB3 1 1 19 6174 1 1 23 ARG HD3 H -7.960 3.861 -1.877 1.00 . A A . 23 ARG HD3 1 1 19 6175 1 1 23 ARG HE H -6.119 3.417 0.279 1.00 . A A . 23 ARG HE 1 1 19 6176 1 1 23 ARG HG3 H -6.124 3.541 -3.331 1.00 . A A . 23 ARG HG3 1 1 19 6177 1 1 23 ARG HH11 H -9.175 4.820 -0.617 1.00 . A A . 23 ARG HH11 1 1 19 6178 1 1 23 ARG HH12 H -9.835 4.727 0.982 1.00 . A A . 23 ARG HH12 1 1 19 6179 1 1 23 ARG HH21 H -6.974 3.289 2.389 1.00 . A A . 23 ARG HH21 1 1 19 6180 1 1 23 ARG HH22 H -8.581 3.858 2.691 1.00 . A A . 23 ARG HH22 1 1 19 6181 1 1 23 ARG N N -3.853 1.380 -3.238 1.00 . A A . 23 ARG N 1 1 19 6182 1 1 23 ARG NE N -6.944 3.817 -0.063 1.00 . A A . 23 ARG NE 1 1 19 6183 1 1 23 ARG NH1 N -9.079 4.571 0.346 1.00 . A A . 23 ARG NH1 1 1 19 6184 1 1 23 ARG NH2 N -7.825 3.699 2.058 1.00 . A A . 23 ARG NH2 1 1 19 6185 1 1 23 ARG O O -5.466 1.518 -5.402 1.00 . A A . 23 ARG O 1 1 19 6186 1 1 24 ASP C C -8.526 3.008 -5.587 1.00 . A A . 24 ASP C 1 1 19 6187 1 1 24 ASP CA C -8.236 1.523 -5.388 1.00 . A A . 24 ASP CA 1 1 19 6188 1 1 24 ASP CB C -9.548 0.753 -5.222 1.00 . A A . 24 ASP CB 1 1 19 6189 1 1 24 ASP CG C -9.491 -0.628 -5.848 1.00 . A A . 24 ASP CG 1 1 19 6190 1 1 24 ASP H H -7.783 1.154 -3.353 1.00 . A A . 24 ASP H 1 1 19 6191 1 1 24 ASP HA H -7.719 1.151 -6.259 1.00 . A A . 24 ASP HA 1 1 19 6192 1 1 24 ASP HB3 H -10.346 1.309 -5.692 1.00 . A A . 24 ASP HB3 1 1 19 6193 1 1 24 ASP N N -7.375 1.312 -4.230 1.00 . A A . 24 ASP N 1 1 19 6194 1 1 24 ASP O O -9.022 3.680 -4.683 1.00 . A A . 24 ASP O 1 1 19 6195 1 1 24 ASP OD1 O -8.482 -1.332 -5.638 1.00 . A A . 24 ASP OD1 1 1 19 6196 1 1 24 ASP OD2 O -10.456 -1.002 -6.547 1.00 . A A . 24 ASP OD2 1 1 19 6197 1 1 25 GLY C C -7.244 5.783 -6.741 1.00 . A A . 25 GLY C 1 1 19 6198 1 1 25 GLY CA C -8.443 4.916 -7.070 1.00 . A A . 25 GLY CA 1 1 19 6199 1 1 25 GLY H H -7.818 2.930 -7.458 1.00 . A A . 25 GLY H 1 1 19 6200 1 1 25 GLY HA2 H -8.671 5.018 -8.120 1.00 . A A . 25 GLY HA2 1 1 19 6201 1 1 25 GLY HA3 H -9.289 5.258 -6.492 1.00 . A A . 25 GLY HA3 1 1 19 6202 1 1 25 GLY N N -8.211 3.514 -6.775 1.00 . A A . 25 GLY N 1 1 19 6203 1 1 25 GLY O O -7.111 6.893 -7.258 1.00 . A A . 25 GLY O 1 1 19 6204 1 1 26 LEU C C -4.053 5.062 -5.084 1.00 . A A . 26 LEU C 1 1 19 6205 1 1 26 LEU CA C -5.176 6.016 -5.478 1.00 . A A . 26 LEU CA 1 1 19 6206 1 1 26 LEU CB C -5.498 6.953 -4.312 1.00 . A A . 26 LEU CB 1 1 19 6207 1 1 26 LEU CD1 C -6.962 8.710 -3.285 1.00 . A A . 26 LEU CD1 1 1 19 6208 1 1 26 LEU CD2 C -6.073 9.025 -5.602 1.00 . A A . 26 LEU CD2 1 1 19 6209 1 1 26 LEU CG C -6.567 8.014 -4.578 1.00 . A A . 26 LEU CG 1 1 19 6210 1 1 26 LEU H H -6.530 4.389 -5.499 1.00 . A A . 26 LEU H 1 1 19 6211 1 1 26 LEU HA H -4.852 6.605 -6.324 1.00 . A A . 26 LEU HA 1 1 19 6212 1 1 26 LEU HB3 H -4.585 7.464 -4.038 1.00 . A A . 26 LEU HB3 1 1 19 6213 1 1 26 LEU HD11 H -6.134 9.306 -2.932 1.00 . A A . 26 LEU HD11 1 1 19 6214 1 1 26 LEU HD12 H -7.216 7.970 -2.541 1.00 . A A . 26 LEU HD12 1 1 19 6215 1 1 26 LEU HD13 H -7.816 9.347 -3.466 1.00 . A A . 26 LEU HD13 1 1 19 6216 1 1 26 LEU HD21 H -5.524 9.807 -5.098 1.00 . A A . 26 LEU HD21 1 1 19 6217 1 1 26 LEU HD22 H -6.917 9.453 -6.121 1.00 . A A . 26 LEU HD22 1 1 19 6218 1 1 26 LEU HD23 H -5.426 8.530 -6.313 1.00 . A A . 26 LEU HD23 1 1 19 6219 1 1 26 LEU HG H -7.449 7.532 -4.980 1.00 . A A . 26 LEU HG 1 1 19 6220 1 1 26 LEU N N -6.370 5.278 -5.877 1.00 . A A . 26 LEU N 1 1 19 6221 1 1 26 LEU O O -4.287 3.933 -4.653 1.00 . A A . 26 LEU O 1 1 19 6222 1 1 27 PRO C C -1.468 4.523 -3.392 1.00 . A A . 27 PRO C 1 1 19 6223 1 1 27 PRO CA C -1.619 4.731 -4.895 1.00 . A A . 27 PRO CA 1 1 19 6224 1 1 27 PRO CB C -0.461 5.572 -5.438 1.00 . A A . 27 PRO CB 1 1 19 6225 1 1 27 PRO CD C -2.450 6.862 -5.741 1.00 . A A . 27 PRO CD 1 1 19 6226 1 1 27 PRO CG C -0.979 6.969 -5.448 1.00 . A A . 27 PRO CG 1 1 19 6227 1 1 27 PRO HA H -1.631 3.770 -5.390 1.00 . A A . 27 PRO HA 1 1 19 6228 1 1 27 PRO HB3 H -0.204 5.238 -6.433 1.00 . A A . 27 PRO HB3 1 1 19 6229 1 1 27 PRO HD3 H -2.629 6.929 -6.804 1.00 . A A . 27 PRO HD3 1 1 19 6230 1 1 27 PRO HG3 H -0.484 7.537 -6.221 1.00 . A A . 27 PRO HG3 1 1 19 6231 1 1 27 PRO N N -2.803 5.526 -5.233 1.00 . A A . 27 PRO N 1 1 19 6232 1 1 27 PRO O O -0.369 4.278 -2.896 1.00 . A A . 27 PRO O 1 1 20 6233 1 1 1 SER C C -3.242 4.682 0.055 1.00 . A A . 1 SER C 1 1 20 6234 1 1 1 SER CA C -2.670 5.697 -0.930 1.00 . A A . 1 SER CA 1 1 20 6235 1 1 1 SER CB C -3.450 7.010 -0.837 1.00 . A A . 1 SER CB 1 1 20 6236 1 1 1 SER H1 H -3.332 4.452 -2.509 1.00 . A A . 1 SER H1 1 1 20 6237 1 1 1 SER HA H -1.637 5.883 -0.677 1.00 . A A . 1 SER HA 1 1 20 6238 1 1 1 SER HB3 H -3.233 7.615 -1.706 1.00 . A A . 1 SER HB3 1 1 20 6239 1 1 1 SER HG H -5.165 6.941 0.105 1.00 . A A . 1 SER HG 1 1 20 6240 1 1 1 SER N N -2.711 5.178 -2.293 1.00 . A A . 1 SER N 1 1 20 6241 1 1 1 SER O O -4.438 4.385 0.035 1.00 . A A . 1 SER O 1 1 20 6242 1 1 1 SER OG O -4.845 6.771 -0.784 1.00 . A A . 1 SER OG 1 1 20 6243 1 1 2 CYS C C -1.782 3.080 3.046 1.00 . A A . 2 CYS C 1 1 20 6244 1 1 2 CYS CA C -2.797 3.169 1.909 1.00 . A A . 2 CYS CA 1 1 20 6245 1 1 2 CYS CB C -2.971 1.795 1.257 1.00 . A A . 2 CYS CB 1 1 20 6246 1 1 2 CYS H H -1.439 4.427 0.883 1.00 . A A . 2 CYS H 1 1 20 6247 1 1 2 CYS HA H -3.745 3.488 2.314 1.00 . A A . 2 CYS HA 1 1 20 6248 1 1 2 CYS HB3 H -2.122 1.176 1.507 1.00 . A A . 2 CYS HB3 1 1 20 6249 1 1 2 CYS N N -2.380 4.151 0.916 1.00 . A A . 2 CYS N 1 1 20 6250 1 1 2 CYS O O -0.579 2.980 2.810 1.00 . A A . 2 CYS O 1 1 20 6251 1 1 2 CYS SG S -4.475 0.911 1.778 1.00 . A A . 2 CYS SG 1 1 20 6252 1 1 3 GLY C C -0.734 1.684 5.563 1.00 . A A . 3 GLY C 1 1 20 6253 1 1 3 GLY CA C -1.403 3.038 5.433 1.00 . A A . 3 GLY CA 1 1 20 6254 1 1 3 GLY H H -3.248 3.196 4.405 1.00 . A A . 3 GLY H 1 1 20 6255 1 1 3 GLY HA2 H -0.640 3.798 5.345 1.00 . A A . 3 GLY HA2 1 1 20 6256 1 1 3 GLY HA3 H -1.983 3.228 6.325 1.00 . A A . 3 GLY HA3 1 1 20 6257 1 1 3 GLY N N -2.279 3.116 4.279 1.00 . A A . 3 GLY N 1 1 20 6258 1 1 3 GLY O O -0.349 1.075 4.566 1.00 . A A . 3 GLY O 1 1 20 6259 1 1 4 GLY C C 1.489 -0.097 6.605 1.00 . A A . 4 GLY C 1 1 20 6260 1 1 4 GLY CA C 0.035 -0.076 7.032 1.00 . A A . 4 GLY CA 1 1 20 6261 1 1 4 GLY H H -0.920 1.740 7.557 1.00 . A A . 4 GLY H 1 1 20 6262 1 1 4 GLY HA2 H -0.022 -0.306 8.086 1.00 . A A . 4 GLY HA2 1 1 20 6263 1 1 4 GLY HA3 H -0.503 -0.832 6.480 1.00 . A A . 4 GLY HA3 1 1 20 6264 1 1 4 GLY N N -0.594 1.212 6.798 1.00 . A A . 4 GLY N 1 1 20 6265 1 1 4 GLY O O 1.909 0.707 5.773 1.00 . A A . 4 GLY O 1 1 20 6266 1 1 5 SER C C 3.911 -2.270 5.852 1.00 . A A . 5 SER C 1 1 20 6267 1 1 5 SER CA C 3.675 -1.139 6.849 1.00 . A A . 5 SER CA 1 1 20 6268 1 1 5 SER CB C 4.491 -1.385 8.120 1.00 . A A . 5 SER CB 1 1 20 6269 1 1 5 SER H H 1.863 -1.632 7.829 1.00 . A A . 5 SER H 1 1 20 6270 1 1 5 SER HA H 3.992 -0.210 6.402 1.00 . A A . 5 SER HA 1 1 20 6271 1 1 5 SER HB3 H 5.004 -0.475 8.396 1.00 . A A . 5 SER HB3 1 1 20 6272 1 1 5 SER HG H 3.625 -2.744 9.234 1.00 . A A . 5 SER HG 1 1 20 6273 1 1 5 SER N N 2.258 -1.020 7.173 1.00 . A A . 5 SER N 1 1 20 6274 1 1 5 SER O O 3.172 -3.256 5.828 1.00 . A A . 5 SER O 1 1 20 6275 1 1 5 SER OG O 3.657 -1.785 9.192 1.00 . A A . 5 SER OG 1 1 20 6276 1 1 6 CYS C C 6.015 -4.302 4.667 1.00 . A A . 6 CYS C 1 1 20 6277 1 1 6 CYS CA C 5.278 -3.128 4.031 1.00 . A A . 6 CYS CA 1 1 20 6278 1 1 6 CYS CB C 6.138 -2.512 2.925 1.00 . A A . 6 CYS CB 1 1 20 6279 1 1 6 CYS H H 5.496 -1.312 5.098 1.00 . A A . 6 CYS H 1 1 20 6280 1 1 6 CYS HA H 4.357 -3.487 3.600 1.00 . A A . 6 CYS HA 1 1 20 6281 1 1 6 CYS HB3 H 6.802 -3.267 2.533 1.00 . A A . 6 CYS HB3 1 1 20 6282 1 1 6 CYS N N 4.944 -2.121 5.031 1.00 . A A . 6 CYS N 1 1 20 6283 1 1 6 CYS O O 6.016 -5.411 4.132 1.00 . A A . 6 CYS O 1 1 20 6284 1 1 6 CYS SG S 5.181 -1.834 1.530 1.00 . A A . 6 CYS SG 1 1 20 6285 1 1 7 PHE C C 6.429 -6.050 7.228 1.00 . A A . 7 PHE C 1 1 20 6286 1 1 7 PHE CA C 7.380 -5.087 6.523 1.00 . A A . 7 PHE CA 1 1 20 6287 1 1 7 PHE CB C 8.333 -4.457 7.541 1.00 . A A . 7 PHE CB 1 1 20 6288 1 1 7 PHE CD1 C 10.495 -5.697 7.256 1.00 . A A . 7 PHE CD1 1 1 20 6289 1 1 7 PHE CD2 C 9.279 -5.992 9.286 1.00 . A A . 7 PHE CD2 1 1 20 6290 1 1 7 PHE CE1 C 11.470 -6.565 7.710 1.00 . A A . 7 PHE CE1 1 1 20 6291 1 1 7 PHE CE2 C 10.252 -6.861 9.745 1.00 . A A . 7 PHE CE2 1 1 20 6292 1 1 7 PHE CG C 9.390 -5.401 8.038 1.00 . A A . 7 PHE CG 1 1 20 6293 1 1 7 PHE CZ C 11.347 -7.149 8.956 1.00 . A A . 7 PHE CZ 1 1 20 6294 1 1 7 PHE H H 6.603 -3.147 6.190 1.00 . A A . 7 PHE H 1 1 20 6295 1 1 7 PHE HA H 7.958 -5.639 5.796 1.00 . A A . 7 PHE HA 1 1 20 6296 1 1 7 PHE HB3 H 7.763 -4.117 8.393 1.00 . A A . 7 PHE HB3 1 1 20 6297 1 1 7 PHE HD1 H 10.592 -5.242 6.280 1.00 . A A . 7 PHE HD1 1 1 20 6298 1 1 7 PHE HD2 H 8.422 -5.769 9.904 1.00 . A A . 7 PHE HD2 1 1 20 6299 1 1 7 PHE HE1 H 12.326 -6.789 7.090 1.00 . A A . 7 PHE HE1 1 1 20 6300 1 1 7 PHE HE2 H 10.153 -7.316 10.720 1.00 . A A . 7 PHE HE2 1 1 20 6301 1 1 7 PHE HZ H 12.108 -7.826 9.313 1.00 . A A . 7 PHE HZ 1 1 20 6302 1 1 7 PHE N N 6.640 -4.052 5.813 1.00 . A A . 7 PHE N 1 1 20 6303 1 1 7 PHE O O 6.817 -7.151 7.614 1.00 . A A . 7 PHE O 1 1 20 6304 1 1 8 GLY C C 2.885 -6.524 7.285 1.00 . A A . 8 GLY C 1 1 20 6305 1 1 8 GLY CA C 4.192 -6.459 8.050 1.00 . A A . 8 GLY CA 1 1 20 6306 1 1 8 GLY H H 4.927 -4.736 7.064 1.00 . A A . 8 GLY H 1 1 20 6307 1 1 8 GLY HA2 H 4.590 -7.458 8.149 1.00 . A A . 8 GLY HA2 1 1 20 6308 1 1 8 GLY HA3 H 4.000 -6.060 9.035 1.00 . A A . 8 GLY HA3 1 1 20 6309 1 1 8 GLY N N 5.180 -5.624 7.392 1.00 . A A . 8 GLY N 1 1 20 6310 1 1 8 GLY O O 1.839 -6.831 7.855 1.00 . A A . 8 GLY O 1 1 20 6311 1 1 9 GLY C C 1.039 -4.925 5.125 1.00 . A A . 9 GLY C 1 1 20 6312 1 1 9 GLY CA C 1.750 -6.263 5.166 1.00 . A A . 9 GLY CA 1 1 20 6313 1 1 9 GLY H H 3.807 -5.995 5.589 1.00 . A A . 9 GLY H 1 1 20 6314 1 1 9 GLY HA2 H 2.025 -6.544 4.160 1.00 . A A . 9 GLY HA2 1 1 20 6315 1 1 9 GLY HA3 H 1.072 -7.005 5.564 1.00 . A A . 9 GLY HA3 1 1 20 6316 1 1 9 GLY N N 2.945 -6.232 5.989 1.00 . A A . 9 GLY N 1 1 20 6317 1 1 9 GLY O O 0.823 -4.295 6.162 1.00 . A A . 9 GLY O 1 1 20 6318 1 1 10 CYS C C -1.388 -3.243 4.409 1.00 . A A . 10 CYS C 1 1 20 6319 1 1 10 CYS CA C -0.010 -3.211 3.752 1.00 . A A . 10 CYS CA 1 1 20 6320 1 1 10 CYS CB C -0.150 -2.882 2.263 1.00 . A A . 10 CYS CB 1 1 20 6321 1 1 10 CYS H H 0.878 -5.031 3.135 1.00 . A A . 10 CYS H 1 1 20 6322 1 1 10 CYS HA H 0.584 -2.446 4.226 1.00 . A A . 10 CYS HA 1 1 20 6323 1 1 10 CYS HB3 H -1.062 -2.323 2.111 1.00 . A A . 10 CYS HB3 1 1 20 6324 1 1 10 CYS N N 0.677 -4.485 3.925 1.00 . A A . 10 CYS N 1 1 20 6325 1 1 10 CYS O O -1.835 -4.286 4.885 1.00 . A A . 10 CYS O 1 1 20 6326 1 1 10 CYS SG S 1.225 -1.897 1.588 1.00 . A A . 10 CYS SG 1 1 20 6327 1 1 11 TRP C C -4.308 -3.068 4.483 1.00 . A A . 11 TRP C 1 1 20 6328 1 1 11 TRP CA C -3.379 -1.989 5.028 1.00 . A A . 11 TRP CA 1 1 20 6329 1 1 11 TRP CB C -3.973 -0.606 4.762 1.00 . A A . 11 TRP CB 1 1 20 6330 1 1 11 TRP CD1 C -3.454 0.217 7.133 1.00 . A A . 11 TRP CD1 1 1 20 6331 1 1 11 TRP CD2 C -5.350 1.037 6.268 1.00 . A A . 11 TRP CD2 1 1 20 6332 1 1 11 TRP CE2 C -5.183 1.564 7.564 1.00 . A A . 11 TRP CE2 1 1 20 6333 1 1 11 TRP CE3 C -6.474 1.414 5.529 1.00 . A A . 11 TRP CE3 1 1 20 6334 1 1 11 TRP CG C -4.233 0.179 6.012 1.00 . A A . 11 TRP CG 1 1 20 6335 1 1 11 TRP CH2 C -7.191 2.795 7.387 1.00 . A A . 11 TRP CH2 1 1 20 6336 1 1 11 TRP CZ2 C -6.099 2.443 8.133 1.00 . A A . 11 TRP CZ2 1 1 20 6337 1 1 11 TRP CZ3 C -7.383 2.288 6.096 1.00 . A A . 11 TRP CZ3 1 1 20 6338 1 1 11 TRP H H -1.642 -1.296 4.034 1.00 . A A . 11 TRP H 1 1 20 6339 1 1 11 TRP HA H -3.272 -2.127 6.094 1.00 . A A . 11 TRP HA 1 1 20 6340 1 1 11 TRP HB3 H -4.911 -0.720 4.238 1.00 . A A . 11 TRP HB3 1 1 20 6341 1 1 11 TRP HD1 H -2.533 -0.332 7.251 1.00 . A A . 11 TRP HD1 1 1 20 6342 1 1 11 TRP HE1 H -3.648 1.239 8.958 1.00 . A A . 11 TRP HE1 1 1 20 6343 1 1 11 TRP HE3 H -6.640 1.034 4.532 1.00 . A A . 11 TRP HE3 1 1 20 6344 1 1 11 TRP HH2 H -7.926 3.475 7.790 1.00 . A A . 11 TRP HH2 1 1 20 6345 1 1 11 TRP HZ2 H -5.965 2.844 9.128 1.00 . A A . 11 TRP HZ2 1 1 20 6346 1 1 11 TRP HZ3 H -8.258 2.590 5.539 1.00 . A A . 11 TRP HZ3 1 1 20 6347 1 1 11 TRP N N -2.053 -2.094 4.430 1.00 . A A . 11 TRP N 1 1 20 6348 1 1 11 TRP NE1 N -4.020 1.047 8.071 1.00 . A A . 11 TRP NE1 1 1 20 6349 1 1 11 TRP O O -3.999 -3.773 3.505 1.00 . A A . 11 TRP O 1 1 20 6350 1 1 12 HYP C C -7.131 -3.912 3.392 1.00 . A A . 12 HYP C 1 1 20 6351 1 1 12 HYP CA C -6.482 -4.218 4.731 1.00 . A A . 12 HYP CA 1 1 20 6352 1 1 12 HYP CB C -7.520 -4.149 5.866 1.00 . A A . 12 HYP CB 1 1 20 6353 1 1 12 HYP CD C -5.934 -2.440 6.272 1.00 . A A . 12 HYP CD 1 1 20 6354 1 1 12 HYP CG C -6.825 -3.422 6.957 1.00 . A A . 12 HYP CG 1 1 20 6355 1 1 12 HYP HA H -6.051 -5.207 4.699 1.00 . A A . 12 HYP HA 1 1 20 6356 1 1 12 HYP HB2 H -7.793 -5.148 6.169 1.00 . A A . 12 HYP HB2 1 1 20 6357 1 1 12 HYP HB3 H -8.396 -3.613 5.530 1.00 . A A . 12 HYP HB3 1 1 20 6358 1 1 12 HYP HD1 H -5.848 -5.200 7.135 1.00 . A A . 12 HYP HD1 1 1 20 6359 1 1 12 HYP HD22 H -6.710 -1.621 6.061 1.00 . A A . 12 HYP HD22 1 1 20 6360 1 1 12 HYP HD23 H -5.292 -2.151 6.998 1.00 . A A . 12 HYP HD23 1 1 20 6361 1 1 12 HYP HG H -7.665 -3.119 7.640 1.00 . A A . 12 HYP HG 1 1 20 6362 1 1 12 HYP N N -5.482 -3.217 5.118 1.00 . A A . 12 HYP N 1 1 20 6363 1 1 12 HYP O O -7.773 -2.878 3.208 1.00 . A A . 12 HYP O 1 1 20 6364 1 1 12 HYP OD1 O -6.057 -4.441 7.700 1.00 . A A . 12 HYP OD1 1 1 20 6365 1 1 13 GLY C C -6.555 -3.979 0.165 1.00 . A A . 13 GLY C 1 1 20 6366 1 1 13 GLY CA C -7.519 -4.652 1.123 1.00 . A A . 13 GLY CA 1 1 20 6367 1 1 13 GLY H H -6.431 -5.635 2.649 1.00 . A A . 13 GLY H 1 1 20 6368 1 1 13 GLY HA2 H -7.790 -5.618 0.725 1.00 . A A . 13 GLY HA2 1 1 20 6369 1 1 13 GLY HA3 H -8.410 -4.045 1.204 1.00 . A A . 13 GLY HA3 1 1 20 6370 1 1 13 GLY N N -6.952 -4.830 2.447 1.00 . A A . 13 GLY N 1 1 20 6371 1 1 13 GLY O O -6.919 -3.652 -0.966 1.00 . A A . 13 GLY O 1 1 20 6372 1 1 14 CYS C C -3.144 -4.084 -0.474 1.00 . A A . 14 CYS C 1 1 20 6373 1 1 14 CYS CA C -4.304 -3.130 -0.205 1.00 . A A . 14 CYS CA 1 1 20 6374 1 1 14 CYS CB C -3.790 -1.862 0.478 1.00 . A A . 14 CYS CB 1 1 20 6375 1 1 14 CYS H H -5.094 -4.053 1.528 1.00 . A A . 14 CYS H 1 1 20 6376 1 1 14 CYS HA H -4.759 -2.861 -1.148 1.00 . A A . 14 CYS HA 1 1 20 6377 1 1 14 CYS HB3 H -2.885 -1.537 -0.016 1.00 . A A . 14 CYS HB3 1 1 20 6378 1 1 14 CYS N N -5.324 -3.769 0.617 1.00 . A A . 14 CYS N 1 1 20 6379 1 1 14 CYS O O -3.186 -5.253 -0.091 1.00 . A A . 14 CYS O 1 1 20 6380 1 1 14 CYS SG S -4.966 -0.472 0.452 1.00 . A A . 14 CYS SG 1 1 20 6381 1 1 15 SER C C 0.333 -3.541 -1.407 1.00 . A A . 15 SER C 1 1 20 6382 1 1 15 SER CA C -0.938 -4.383 -1.458 1.00 . A A . 15 SER CA 1 1 20 6383 1 1 15 SER CB C -1.092 -5.011 -2.844 1.00 . A A . 15 SER CB 1 1 20 6384 1 1 15 SER H H -2.134 -2.637 -1.414 1.00 . A A . 15 SER H 1 1 20 6385 1 1 15 SER HA H -0.864 -5.170 -0.722 1.00 . A A . 15 SER HA 1 1 20 6386 1 1 15 SER HB3 H -0.795 -6.050 -2.801 1.00 . A A . 15 SER HB3 1 1 20 6387 1 1 15 SER HG H -2.554 -4.149 -3.823 1.00 . A A . 15 SER HG 1 1 20 6388 1 1 15 SER N N -2.109 -3.576 -1.135 1.00 . A A . 15 SER N 1 1 20 6389 1 1 15 SER O O 0.288 -2.319 -1.547 1.00 . A A . 15 SER O 1 1 20 6390 1 1 15 SER OG O -2.435 -4.938 -3.291 1.00 . A A . 15 SER OG 1 1 20 6391 1 1 16 CYS C C 3.516 -3.661 -2.451 1.00 . A A . 16 CYS C 1 1 20 6392 1 1 16 CYS CA C 2.752 -3.519 -1.138 1.00 . A A . 16 CYS CA 1 1 20 6393 1 1 16 CYS CB C 3.589 -4.077 0.015 1.00 . A A . 16 CYS CB 1 1 20 6394 1 1 16 CYS H H 1.439 -5.179 -1.103 1.00 . A A . 16 CYS H 1 1 20 6395 1 1 16 CYS HA H 2.561 -2.472 -0.958 1.00 . A A . 16 CYS HA 1 1 20 6396 1 1 16 CYS HB3 H 3.740 -5.135 -0.139 1.00 . A A . 16 CYS HB3 1 1 20 6397 1 1 16 CYS N N 1.466 -4.204 -1.207 1.00 . A A . 16 CYS N 1 1 20 6398 1 1 16 CYS O O 4.017 -4.737 -2.776 1.00 . A A . 16 CYS O 1 1 20 6399 1 1 16 CYS SG S 5.229 -3.302 0.186 1.00 . A A . 16 CYS SG 1 1 20 6400 1 1 17 TYR C C 5.183 -1.333 -4.619 1.00 . A A . 17 TYR C 1 1 20 6401 1 1 17 TYR CA C 4.301 -2.570 -4.479 1.00 . A A . 17 TYR CA 1 1 20 6402 1 1 17 TYR CB C 3.299 -2.629 -5.633 1.00 . A A . 17 TYR CB 1 1 20 6403 1 1 17 TYR CD1 C 4.368 -3.791 -7.604 1.00 . A A . 17 TYR CD1 1 1 20 6404 1 1 17 TYR CD2 C 4.138 -1.420 -7.685 1.00 . A A . 17 TYR CD2 1 1 20 6405 1 1 17 TYR CE1 C 4.962 -3.781 -8.851 1.00 . A A . 17 TYR CE1 1 1 20 6406 1 1 17 TYR CE2 C 4.729 -1.400 -8.934 1.00 . A A . 17 TYR CE2 1 1 20 6407 1 1 17 TYR CG C 3.948 -2.612 -6.999 1.00 . A A . 17 TYR CG 1 1 20 6408 1 1 17 TYR CZ C 5.140 -2.583 -9.512 1.00 . A A . 17 TYR CZ 1 1 20 6409 1 1 17 TYR H H 3.180 -1.739 -2.888 1.00 . A A . 17 TYR H 1 1 20 6410 1 1 17 TYR HA H 4.927 -3.449 -4.512 1.00 . A A . 17 TYR HA 1 1 20 6411 1 1 17 TYR HB3 H 2.637 -1.778 -5.570 1.00 . A A . 17 TYR HB3 1 1 20 6412 1 1 17 TYR HD1 H 4.228 -4.727 -7.084 1.00 . A A . 17 TYR HD1 1 1 20 6413 1 1 17 TYR HD2 H 3.815 -0.495 -7.229 1.00 . A A . 17 TYR HD2 1 1 20 6414 1 1 17 TYR HE1 H 5.283 -4.707 -9.305 1.00 . A A . 17 TYR HE1 1 1 20 6415 1 1 17 TYR HE2 H 4.870 -0.462 -9.452 1.00 . A A . 17 TYR HE2 1 1 20 6416 1 1 17 TYR HH H 5.306 -3.222 -11.318 1.00 . A A . 17 TYR HH 1 1 20 6417 1 1 17 TYR N N 3.601 -2.567 -3.200 1.00 . A A . 17 TYR N 1 1 20 6418 1 1 17 TYR O O 4.740 -0.210 -4.377 1.00 . A A . 17 TYR O 1 1 20 6419 1 1 17 TYR OH O 5.729 -2.569 -10.756 1.00 . A A . 17 TYR OH 1 1 20 6420 1 1 18 ALA C C 7.740 0.183 -3.849 1.00 . A A . 18 ALA C 1 1 20 6421 1 1 18 ALA CA C 7.378 -0.451 -5.188 1.00 . A A . 18 ALA CA 1 1 20 6422 1 1 18 ALA CB C 6.802 0.596 -6.131 1.00 . A A . 18 ALA CB 1 1 20 6423 1 1 18 ALA H H 6.728 -2.464 -5.190 1.00 . A A . 18 ALA H 1 1 20 6424 1 1 18 ALA HA H 8.275 -0.851 -5.640 1.00 . A A . 18 ALA HA 1 1 20 6425 1 1 18 ALA HB1 H 6.154 1.259 -5.577 1.00 . A A . 18 ALA HB1 1 1 20 6426 1 1 18 ALA HB2 H 7.608 1.164 -6.573 1.00 . A A . 18 ALA HB2 1 1 20 6427 1 1 18 ALA HB3 H 6.237 0.106 -6.910 1.00 . A A . 18 ALA HB3 1 1 20 6428 1 1 18 ALA N N 6.434 -1.547 -5.012 1.00 . A A . 18 ALA N 1 1 20 6429 1 1 18 ALA O O 7.796 1.406 -3.725 1.00 . A A . 18 ALA O 1 1 20 6430 1 1 19 ARG C C 7.260 0.750 -0.969 1.00 . A A . 19 ARG C 1 1 20 6431 1 1 19 ARG CA C 8.338 -0.180 -1.518 1.00 . A A . 19 ARG CA 1 1 20 6432 1 1 19 ARG CB C 9.683 0.548 -1.555 1.00 . A A . 19 ARG CB 1 1 20 6433 1 1 19 ARG CD C 10.661 2.091 0.171 1.00 . A A . 19 ARG CD 1 1 20 6434 1 1 19 ARG CG C 10.360 0.647 -0.198 1.00 . A A . 19 ARG CG 1 1 20 6435 1 1 19 ARG CZ C 13.063 2.395 -0.258 1.00 . A A . 19 ARG CZ 1 1 20 6436 1 1 19 ARG H H 7.924 -1.623 -3.009 1.00 . A A . 19 ARG H 1 1 20 6437 1 1 19 ARG HA H 8.420 -1.038 -0.868 1.00 . A A . 19 ARG HA 1 1 20 6438 1 1 19 ARG HB3 H 9.527 1.548 -1.930 1.00 . A A . 19 ARG HB3 1 1 20 6439 1 1 19 ARG HD3 H 10.885 2.140 1.225 1.00 . A A . 19 ARG HD3 1 1 20 6440 1 1 19 ARG HE H 11.600 3.177 -1.366 1.00 . A A . 19 ARG HE 1 1 20 6441 1 1 19 ARG HG3 H 11.285 0.091 -0.226 1.00 . A A . 19 ARG HG3 1 1 20 6442 1 1 19 ARG HH11 H 12.623 1.256 1.352 1.00 . A A . 19 ARG HH11 1 1 20 6443 1 1 19 ARG HH12 H 14.313 1.477 1.038 1.00 . A A . 19 ARG HH12 1 1 20 6444 1 1 19 ARG HH21 H 13.822 3.476 -1.788 1.00 . A A . 19 ARG HH21 1 1 20 6445 1 1 19 ARG HH22 H 14.993 2.741 -0.748 1.00 . A A . 19 ARG HH22 1 1 20 6446 1 1 19 ARG N N 7.984 -0.658 -2.849 1.00 . A A . 19 ARG N 1 1 20 6447 1 1 19 ARG NE N 11.795 2.623 -0.582 1.00 . A A . 19 ARG NE 1 1 20 6448 1 1 19 ARG NH1 N 13.357 1.648 0.797 1.00 . A A . 19 ARG NH1 1 1 20 6449 1 1 19 ARG NH2 N 14.039 2.913 -0.992 1.00 . A A . 19 ARG NH2 1 1 20 6450 1 1 19 ARG O O 7.509 1.538 -0.057 1.00 . A A . 19 ARG O 1 1 20 6451 1 1 20 THR C C 3.612 0.778 -1.322 1.00 . A A . 20 THR C 1 1 20 6452 1 1 20 THR CA C 4.944 1.487 -1.102 1.00 . A A . 20 THR CA 1 1 20 6453 1 1 20 THR CB C 4.926 2.832 -1.851 1.00 . A A . 20 THR CB 1 1 20 6454 1 1 20 THR CG2 C 4.278 3.915 -1.001 1.00 . A A . 20 THR CG2 1 1 20 6455 1 1 20 THR H H 5.923 0.006 -2.257 1.00 . A A . 20 THR H 1 1 20 6456 1 1 20 THR HA H 5.064 1.686 -0.048 1.00 . A A . 20 THR HA 1 1 20 6457 1 1 20 THR HB H 4.350 2.715 -2.759 1.00 . A A . 20 THR HB 1 1 20 6458 1 1 20 THR HG1 H 6.250 3.722 -3.011 1.00 . A A . 20 THR HG1 1 1 20 6459 1 1 20 THR HG21 H 4.808 4.846 -1.141 1.00 . A A . 20 THR HG21 1 1 20 6460 1 1 20 THR HG22 H 4.321 3.630 0.040 1.00 . A A . 20 THR HG22 1 1 20 6461 1 1 20 THR HG23 H 3.248 4.038 -1.300 1.00 . A A . 20 THR HG23 1 1 20 6462 1 1 20 THR N N 6.060 0.653 -1.533 1.00 . A A . 20 THR N 1 1 20 6463 1 1 20 THR O O 3.524 -0.175 -2.097 1.00 . A A . 20 THR O 1 1 20 6464 1 1 20 THR OG1 O 6.261 3.221 -2.192 1.00 . A A . 20 THR OG1 1 1 20 6465 1 1 21 CYS C C 0.526 1.195 -1.992 1.00 . A A . 21 CYS C 1 1 20 6466 1 1 21 CYS CA C 1.247 0.662 -0.758 1.00 . A A . 21 CYS CA 1 1 20 6467 1 1 21 CYS CB C 0.421 0.956 0.497 1.00 . A A . 21 CYS CB 1 1 20 6468 1 1 21 CYS H H 2.707 2.013 -0.034 1.00 . A A . 21 CYS H 1 1 20 6469 1 1 21 CYS HA H 1.365 -0.406 -0.858 1.00 . A A . 21 CYS HA 1 1 20 6470 1 1 21 CYS HB3 H -0.611 0.704 0.305 1.00 . A A . 21 CYS HB3 1 1 20 6471 1 1 21 CYS N N 2.576 1.250 -0.637 1.00 . A A . 21 CYS N 1 1 20 6472 1 1 21 CYS O O 0.975 2.154 -2.621 1.00 . A A . 21 CYS O 1 1 20 6473 1 1 21 CYS SG S 0.955 0.031 1.972 1.00 . A A . 21 CYS SG 1 1 20 6474 1 1 22 PHE C C -2.815 0.475 -3.384 1.00 . A A . 22 PHE C 1 1 20 6475 1 1 22 PHE CA C -1.378 0.979 -3.492 1.00 . A A . 22 PHE CA 1 1 20 6476 1 1 22 PHE CB C -0.737 0.455 -4.779 1.00 . A A . 22 PHE CB 1 1 20 6477 1 1 22 PHE CD1 C -2.234 1.410 -6.553 1.00 . A A . 22 PHE CD1 1 1 20 6478 1 1 22 PHE CD2 C 0.051 2.093 -6.509 1.00 . A A . 22 PHE CD2 1 1 20 6479 1 1 22 PHE CE1 C -2.458 2.220 -7.651 1.00 . A A . 22 PHE CE1 1 1 20 6480 1 1 22 PHE CE2 C -0.168 2.905 -7.606 1.00 . A A . 22 PHE CE2 1 1 20 6481 1 1 22 PHE CG C -0.978 1.337 -5.972 1.00 . A A . 22 PHE CG 1 1 20 6482 1 1 22 PHE CZ C -1.424 2.969 -8.176 1.00 . A A . 22 PHE CZ 1 1 20 6483 1 1 22 PHE H H -0.901 -0.191 -1.792 1.00 . A A . 22 PHE H 1 1 20 6484 1 1 22 PHE HA H -1.389 2.057 -3.519 1.00 . A A . 22 PHE HA 1 1 20 6485 1 1 22 PHE HB3 H -1.140 -0.522 -5.001 1.00 . A A . 22 PHE HB3 1 1 20 6486 1 1 22 PHE HD1 H -3.044 0.825 -6.142 1.00 . A A . 22 PHE HD1 1 1 20 6487 1 1 22 PHE HD2 H 1.034 2.044 -6.063 1.00 . A A . 22 PHE HD2 1 1 20 6488 1 1 22 PHE HE1 H -3.441 2.268 -8.094 1.00 . A A . 22 PHE HE1 1 1 20 6489 1 1 22 PHE HE2 H 0.643 3.490 -8.015 1.00 . A A . 22 PHE HE2 1 1 20 6490 1 1 22 PHE HZ H -1.596 3.602 -9.034 1.00 . A A . 22 PHE HZ 1 1 20 6491 1 1 22 PHE N N -0.594 0.568 -2.334 1.00 . A A . 22 PHE N 1 1 20 6492 1 1 22 PHE O O -3.062 -0.625 -2.890 1.00 . A A . 22 PHE O 1 1 20 6493 1 1 23 ARG C C -5.898 1.425 -5.049 1.00 . A A . 23 ARG C 1 1 20 6494 1 1 23 ARG CA C -5.168 0.926 -3.804 1.00 . A A . 23 ARG CA 1 1 20 6495 1 1 23 ARG CB C -5.825 1.505 -2.549 1.00 . A A . 23 ARG CB 1 1 20 6496 1 1 23 ARG CD C -6.853 3.509 -1.434 1.00 . A A . 23 ARG CD 1 1 20 6497 1 1 23 ARG CG C -6.011 3.013 -2.598 1.00 . A A . 23 ARG CG 1 1 20 6498 1 1 23 ARG CZ C -9.242 3.727 -0.892 1.00 . A A . 23 ARG CZ 1 1 20 6499 1 1 23 ARG H H -3.497 2.153 -4.231 1.00 . A A . 23 ARG H 1 1 20 6500 1 1 23 ARG HA H -5.235 -0.150 -3.770 1.00 . A A . 23 ARG HA 1 1 20 6501 1 1 23 ARG HB3 H -5.210 1.269 -1.694 1.00 . A A . 23 ARG HB3 1 1 20 6502 1 1 23 ARG HD3 H -6.491 4.481 -1.134 1.00 . A A . 23 ARG HD3 1 1 20 6503 1 1 23 ARG HE H -8.498 3.607 -2.739 1.00 . A A . 23 ARG HE 1 1 20 6504 1 1 23 ARG HG3 H -6.501 3.275 -3.524 1.00 . A A . 23 ARG HG3 1 1 20 6505 1 1 23 ARG HH11 H -8.008 3.674 0.707 1.00 . A A . 23 ARG HH11 1 1 20 6506 1 1 23 ARG HH12 H -9.694 3.828 1.075 1.00 . A A . 23 ARG HH12 1 1 20 6507 1 1 23 ARG HH21 H -10.720 3.808 -2.267 1.00 . A A . 23 ARG HH21 1 1 20 6508 1 1 23 ARG HH22 H -11.236 3.903 -0.618 1.00 . A A . 23 ARG HH22 1 1 20 6509 1 1 23 ARG N N -3.757 1.288 -3.849 1.00 . A A . 23 ARG N 1 1 20 6510 1 1 23 ARG NE N -8.266 3.617 -1.788 1.00 . A A . 23 ARG NE 1 1 20 6511 1 1 23 ARG NH1 N -8.958 3.744 0.403 1.00 . A A . 23 ARG NH1 1 1 20 6512 1 1 23 ARG NH2 N -10.503 3.821 -1.292 1.00 . A A . 23 ARG NH2 1 1 20 6513 1 1 23 ARG O O -5.272 1.875 -6.008 1.00 . A A . 23 ARG O 1 1 20 6514 1 1 24 ASP C C -8.207 3.300 -6.134 1.00 . A A . 24 ASP C 1 1 20 6515 1 1 24 ASP CA C -8.039 1.784 -6.149 1.00 . A A . 24 ASP CA 1 1 20 6516 1 1 24 ASP CB C -9.409 1.106 -6.111 1.00 . A A . 24 ASP CB 1 1 20 6517 1 1 24 ASP CG C -9.446 -0.170 -6.929 1.00 . A A . 24 ASP CG 1 1 20 6518 1 1 24 ASP H H -7.665 0.974 -4.229 1.00 . A A . 24 ASP H 1 1 20 6519 1 1 24 ASP HA H -7.531 1.500 -7.058 1.00 . A A . 24 ASP HA 1 1 20 6520 1 1 24 ASP HB3 H -10.151 1.786 -6.503 1.00 . A A . 24 ASP HB3 1 1 20 6521 1 1 24 ASP N N -7.224 1.342 -5.023 1.00 . A A . 24 ASP N 1 1 20 6522 1 1 24 ASP O O -8.529 3.889 -5.104 1.00 . A A . 24 ASP O 1 1 20 6523 1 1 24 ASP OD1 O -8.575 -1.038 -6.714 1.00 . A A . 24 ASP OD1 1 1 20 6524 1 1 24 ASP OD2 O -10.346 -0.299 -7.786 1.00 . A A . 24 ASP OD2 1 1 20 6525 1 1 25 GLY C C -6.808 6.088 -7.119 1.00 . A A . 25 GLY C 1 1 20 6526 1 1 25 GLY CA C -8.115 5.369 -7.384 1.00 . A A . 25 GLY CA 1 1 20 6527 1 1 25 GLY H H -7.730 3.405 -8.076 1.00 . A A . 25 GLY H 1 1 20 6528 1 1 25 GLY HA2 H -8.458 5.621 -8.375 1.00 . A A . 25 GLY HA2 1 1 20 6529 1 1 25 GLY HA3 H -8.848 5.702 -6.665 1.00 . A A . 25 GLY HA3 1 1 20 6530 1 1 25 GLY N N -7.985 3.926 -7.287 1.00 . A A . 25 GLY N 1 1 20 6531 1 1 25 GLY O O -6.514 7.108 -7.744 1.00 . A A . 25 GLY O 1 1 20 6532 1 1 26 LEU C C -3.840 5.149 -5.132 1.00 . A A . 26 LEU C 1 1 20 6533 1 1 26 LEU CA C -4.738 6.159 -5.840 1.00 . A A . 26 LEU CA 1 1 20 6534 1 1 26 LEU CB C -4.951 7.383 -4.946 1.00 . A A . 26 LEU CB 1 1 20 6535 1 1 26 LEU CD1 C -6.269 6.139 -3.215 1.00 . A A . 26 LEU CD1 1 1 20 6536 1 1 26 LEU CD2 C -6.295 8.640 -3.245 1.00 . A A . 26 LEU CD2 1 1 20 6537 1 1 26 LEU CG C -6.220 7.379 -4.094 1.00 . A A . 26 LEU CG 1 1 20 6538 1 1 26 LEU H H -6.309 4.746 -5.723 1.00 . A A . 26 LEU H 1 1 20 6539 1 1 26 LEU HA H -4.259 6.471 -6.755 1.00 . A A . 26 LEU HA 1 1 20 6540 1 1 26 LEU HB3 H -4.982 8.254 -5.585 1.00 . A A . 26 LEU HB3 1 1 20 6541 1 1 26 LEU HD11 H -6.644 6.404 -2.239 1.00 . A A . 26 LEU HD11 1 1 20 6542 1 1 26 LEU HD12 H -5.275 5.727 -3.119 1.00 . A A . 26 LEU HD12 1 1 20 6543 1 1 26 LEU HD13 H -6.921 5.405 -3.665 1.00 . A A . 26 LEU HD13 1 1 20 6544 1 1 26 LEU HD21 H -6.592 9.473 -3.863 1.00 . A A . 26 LEU HD21 1 1 20 6545 1 1 26 LEU HD22 H -5.326 8.840 -2.811 1.00 . A A . 26 LEU HD22 1 1 20 6546 1 1 26 LEU HD23 H -7.021 8.500 -2.456 1.00 . A A . 26 LEU HD23 1 1 20 6547 1 1 26 LEU HG H -7.084 7.361 -4.745 1.00 . A A . 26 LEU HG 1 1 20 6548 1 1 26 LEU N N -6.021 5.558 -6.188 1.00 . A A . 26 LEU N 1 1 20 6549 1 1 26 LEU O O -4.296 4.127 -4.620 1.00 . A A . 26 LEU O 1 1 20 6550 1 1 27 PRO C C -1.676 4.568 -2.939 1.00 . A A . 27 PRO C 1 1 20 6551 1 1 27 PRO CA C -1.541 4.573 -4.457 1.00 . A A . 27 PRO CA 1 1 20 6552 1 1 27 PRO CB C -0.203 5.191 -4.872 1.00 . A A . 27 PRO CB 1 1 20 6553 1 1 27 PRO CD C -1.917 6.643 -5.691 1.00 . A A . 27 PRO CD 1 1 20 6554 1 1 27 PRO CG C -0.516 6.622 -5.146 1.00 . A A . 27 PRO CG 1 1 20 6555 1 1 27 PRO HA H -1.602 3.560 -4.826 1.00 . A A . 27 PRO HA 1 1 20 6556 1 1 27 PRO HB3 H 0.169 4.692 -5.755 1.00 . A A . 27 PRO HB3 1 1 20 6557 1 1 27 PRO HD3 H -1.903 6.577 -6.769 1.00 . A A . 27 PRO HD3 1 1 20 6558 1 1 27 PRO HG3 H 0.176 7.015 -5.876 1.00 . A A . 27 PRO HG3 1 1 20 6559 1 1 27 PRO N N -2.530 5.442 -5.101 1.00 . A A . 27 PRO N 1 1 20 6560 1 1 27 PRO O O -0.910 3.904 -2.239 1.00 . A A . 27 PRO O 1 1 stop_ save_
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