NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
396085 | 1s8k | 6109 | cing | 4-filtered-FRED | STAR | entry | full | 139 |
data_FRED_restraints_with_modified_coordinates_PDB_code_1s8k # This FRED archive file contains, for PDB entry <1s8k>: # # - 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, W Vranken, C Penkett, J Lin, CF Schulte, G Vuister, G Vriend, # JL Markley, EL Ulrich. BioMagResBank database `NMR Restraints Grid` with # curated sets of experimental NMR restraints for over 4,000 protein and nucleic # acid PDB entries. (in preparation) 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.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_1s8k _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 1s8k _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "all disulfide bound" _Assembly.Molecular_mass 3424.54 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 $Toxin_BmKK4 A . 1 1 stop_ save_ save_Toxin_BmKK4 _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name "Toxin BmKK4" _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code XTQCQSVRDCQQYCLTPDRCSYGTCYCKTTX _Entity.Number_of_monomers 31 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 PCA $PCA 1 1 2 THR . 1 1 3 GLN . 1 1 4 CYS . 1 1 5 GLN . 1 1 6 SER . 1 1 7 VAL . 1 1 8 ARG . 1 1 9 ASP . 1 1 10 CYS . 1 1 11 GLN . 1 1 12 GLN . 1 1 13 TYR . 1 1 14 CYS . 1 1 15 LEU . 1 1 16 THR . 1 1 17 PRO . 1 1 18 ASP . 1 1 19 ARG . 1 1 20 CYS . 1 1 21 SER . 1 1 22 TYR . 1 1 23 GLY . 1 1 24 THR . 1 1 25 CYS . 1 1 26 TYR . 1 1 27 CYS . 1 1 28 LYS . 1 1 29 THR . 1 1 30 THR . 1 1 31 NH2 $NH2 1 1 stop_ loop_ _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID PCA 1 1 1 1 THR 2 2 1 1 GLN 3 3 1 1 CYS 4 4 1 1 GLN 5 5 1 1 SER 6 6 1 1 VAL 7 7 1 1 ARG 8 8 1 1 ASP 9 9 1 1 CYS 10 10 1 1 GLN 11 11 1 1 GLN 12 12 1 1 TYR 13 13 1 1 CYS 14 14 1 1 LEU 15 15 1 1 THR 16 16 1 1 PRO 17 17 1 1 ASP 18 18 1 1 ARG 19 19 1 1 CYS 20 20 1 1 SER 21 21 1 1 TYR 22 22 1 1 GLY 23 23 1 1 THR 24 24 1 1 CYS 25 25 1 1 TYR 26 26 1 1 CYS 27 27 1 1 LYS 28 28 1 1 THR 29 29 1 1 THR 30 30 1 1 NH2 31 31 1 1 stop_ save_ save_NH2 _Chem_comp.Sf_category chem_comp _Chem_comp.Entry_ID 1 _Chem_comp.ID NH2 _Chem_comp.Type non-polymer save_ save_PCA _Chem_comp.Sf_category chem_comp _Chem_comp.Entry_ID 1 _Chem_comp.ID PCA _Chem_comp.Type non-polymer save_ save_DYANA/DIANA_distance_constraints_2_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID . _Distance_constraint_list.Block_ID . loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . 1 1 2 1 . . . 1 1 3 1 . . . 1 1 4 1 . . . 1 1 5 1 . . . 1 1 6 1 . . . 1 1 7 1 . . . 1 1 8 1 . . . 1 1 9 1 . . . 1 1 10 1 . . . 1 1 11 1 . . . 1 1 12 1 . . . 1 1 13 1 . . . 1 1 14 1 . . . 1 1 15 1 . . . 1 1 16 1 . . . 1 1 17 1 . . . 1 1 18 1 . . . 1 1 19 1 . . . 1 1 20 1 . . . 1 1 21 1 . . . 1 1 22 1 . . . 1 1 23 1 . . . 1 1 24 1 . . . 1 1 25 1 . . . 1 1 26 1 . . . 1 1 27 1 . . . 1 1 28 1 . . . 1 1 29 1 . . . 1 1 30 1 . . . 1 1 31 1 . . . 1 1 32 1 . . . 1 1 33 1 . . . 1 1 34 1 . . . 1 1 35 1 . . . 1 1 36 1 . . . 1 1 37 1 . . . 1 1 38 1 . . . 1 1 39 1 . . . 1 1 40 1 . . . 1 1 41 1 . . . 1 1 42 1 . . . 1 1 43 1 . . . 1 1 44 1 . . . 1 1 45 1 . . . 1 1 46 1 . . . 1 1 47 1 . . . 1 1 48 1 . . . 1 1 49 1 . . . 1 1 50 1 . . . 1 1 51 1 . . . 1 1 52 1 . . . 1 1 53 1 . . . 1 1 54 1 . . . 1 1 55 1 . . . 1 1 56 1 . . . 1 1 57 1 . . . 1 1 58 1 . . . 1 1 59 1 . . . 1 1 60 1 . . . 1 1 61 1 . . . 1 1 62 1 . . . 1 1 63 1 . . . 1 1 64 1 . . . 1 1 65 1 . . . 1 1 66 1 . . . 1 1 67 1 . . . 1 1 68 1 . . . 1 1 69 1 . . . 1 1 70 1 . . . 1 1 71 1 . . . 1 1 72 1 . . . 1 1 73 1 . . . 1 1 74 1 . . . 1 1 75 1 . . . 1 1 76 1 . . . 1 1 77 1 . . . 1 1 78 1 . . . 1 1 79 1 . . . 1 1 80 1 . . . 1 1 81 1 . . . 1 1 82 1 . . . 1 1 83 1 . . . 1 1 84 1 . . . 1 1 85 1 . . . 1 1 86 1 . . . 1 1 87 1 . . . 1 1 88 1 . . . 1 1 89 1 . . . 1 1 90 1 . . . 1 1 91 1 . . . 1 1 92 1 . . . 1 1 93 1 . . . 1 1 94 1 . . . 1 1 95 1 . . . 1 1 96 1 . . . 1 1 97 1 . . . 1 1 98 1 . . . 1 1 99 1 . . . 1 1 100 1 . . . 1 1 101 1 . . . 1 1 102 1 . . . 1 1 103 1 . . . 1 1 104 1 . . . 1 1 105 1 . . . 1 1 106 1 . . . 1 1 107 1 . . . 1 1 108 1 . . . 1 1 109 1 . . . 1 1 110 1 . . . 1 1 111 1 . . . 1 1 112 1 . . . 1 1 113 1 . . . 1 1 114 1 . . . 1 1 115 1 . . . 1 1 116 1 . . . 1 1 117 1 . . . 1 1 118 1 . . . 1 1 119 1 . . . 1 1 120 1 . . . 1 1 121 1 . . . 1 1 122 1 . . . 1 1 123 1 . . . 1 1 124 1 . . . 1 1 125 1 . . . 1 1 126 1 . . . 1 1 127 1 . . . 1 1 128 1 . . . 1 1 129 1 . . . 1 1 130 1 . . . 1 1 131 1 . . . 1 1 132 1 . . . 1 1 133 1 . . . 1 1 134 1 . . . 1 1 135 1 . . . 1 1 136 1 . . . 1 1 137 1 . . . 1 1 138 1 . . . 1 1 139 1 . . . 1 1 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 PCA HA . 1 PCA HA 1 1 1 1 2 1 1 2 THR H . 2 THR HN 1 1 2 1 1 1 1 2 THR H . 2 THR HN 1 1 2 1 2 1 1 3 GLN H . 3 GLN HN 1 1 3 1 1 1 1 2 THR HA . 2 THR HA 1 1 3 1 2 1 1 2 THR MG . 2 THR QG2 1 1 4 1 1 1 1 2 THR HA . 2 THR HA 1 1 4 1 2 1 1 3 GLN H . 3 GLN HN 1 1 5 1 1 1 1 2 THR HA . 2 THR HA 1 1 5 1 2 1 1 4 CYS H . 4 CYSS HN 1 1 6 1 1 1 1 2 THR HB . 2 THR HB 1 1 6 1 2 1 1 3 GLN H . 3 GLN HN 1 1 7 1 1 1 1 2 THR HB . 2 THR HB 1 1 7 1 2 1 1 4 CYS H . 4 CYSS HN 1 1 8 1 1 1 1 2 THR MG . 2 THR QG2 1 1 8 1 2 1 1 4 CYS H . 4 CYSS HN 1 1 9 1 1 1 1 3 GLN H . 3 GLN HN 1 1 9 1 2 1 1 3 GLN HB3 . 3 GLN HB3 1 1 10 1 1 1 1 3 GLN H . 3 GLN HN 1 1 10 1 2 1 1 3 GLN HG3 . 3 GLN HG3 1 1 11 1 1 1 1 3 GLN H . 3 GLN HN 1 1 11 1 2 1 1 4 CYS H . 4 CYSS HN 1 1 12 1 1 1 1 3 GLN HA . 3 GLN HA 1 1 12 1 2 1 1 3 GLN HG3 . 3 GLN HG3 1 1 13 1 1 1 1 3 GLN HA . 3 GLN HA 1 1 13 1 2 1 1 4 CYS H . 4 CYSS HN 1 1 14 1 1 1 1 3 GLN HB3 . 3 GLN HB3 1 1 14 1 2 1 1 4 CYS H . 4 CYSS HN 1 1 15 1 1 1 1 4 CYS H . 4 CYSS HN 1 1 15 1 2 1 1 4 CYS HB3 . 4 CYSS HB3 1 1 16 1 1 1 1 4 CYS HA . 4 CYSS HA 1 1 16 1 2 1 1 9 ASP HB3 . 9 ASP HB3 1 1 17 1 1 1 1 4 CYS HB3 . 4 CYSS HB3 1 1 17 1 2 1 1 5 GLN H . 5 GLN HN 1 1 18 1 1 1 1 4 CYS HB3 . 4 CYSS HB3 1 1 18 1 2 1 1 6 SER H . 6 SER HN 1 1 19 1 1 1 1 4 CYS HB3 . 4 CYSS HB3 1 1 19 1 2 1 1 9 ASP HB3 . 9 ASP HB3 1 1 20 1 1 1 1 5 GLN H . 5 GLN HN 1 1 20 1 2 1 1 5 GLN HB3 . 5 GLN HB3 1 1 21 1 1 1 1 5 GLN H . 5 GLN HN 1 1 21 1 2 1 1 6 SER H . 6 SER HN 1 1 22 1 1 1 1 5 GLN HA . 5 GLN HA 1 1 22 1 2 1 1 5 GLN HB3 . 5 GLN HB3 1 1 23 1 1 1 1 5 GLN HA . 5 GLN HA 1 1 23 1 2 1 1 5 GLN HG3 . 5 GLN HG3 1 1 24 1 1 1 1 5 GLN HB3 . 5 GLN HB3 1 1 24 1 2 1 1 6 SER H . 6 SER HN 1 1 25 1 1 1 1 6 SER H . 6 SER HN 1 1 25 1 2 1 1 9 ASP H . 9 ASP HN 1 1 26 1 1 1 1 6 SER HB3 . 6 SER HB3 1 1 26 1 2 1 1 7 VAL H . 7 VAL HN 1 1 27 1 1 1 1 7 VAL H . 7 VAL HN 1 1 27 1 2 1 1 7 VAL HB . 7 VAL HB 1 1 28 1 1 1 1 7 VAL H . 7 VAL HN 1 1 28 1 2 1 1 7 VAL MG2 . 7 VAL QG2 1 1 29 1 1 1 1 7 VAL H . 7 VAL HN 1 1 29 1 2 1 1 8 ARG H . 8 ARG HN 1 1 30 1 1 1 1 7 VAL H . 7 VAL HN 1 1 30 1 2 1 1 20 CYS HB3 . 20 CYSS HB3 1 1 31 1 1 1 1 7 VAL HA . 7 VAL HA 1 1 31 1 2 1 1 7 VAL HB . 7 VAL HB 1 1 32 1 1 1 1 7 VAL HA . 7 VAL HA 1 1 32 1 2 1 1 7 VAL MG2 . 7 VAL QG2 1 1 33 1 1 1 1 7 VAL HA . 7 VAL HA 1 1 33 1 2 1 1 9 ASP H . 9 ASP HN 1 1 34 1 1 1 1 7 VAL HA . 7 VAL HA 1 1 34 1 2 1 1 10 CYS H . 10 CYSS HN 1 1 35 1 1 1 1 7 VAL HA . 7 VAL HA 1 1 35 1 2 1 1 10 CYS HB3 . 10 CYSS HB3 1 1 36 1 1 1 1 7 VAL HA . 7 VAL HA 1 1 36 1 2 1 1 20 CYS H . 20 CYSS HN 1 1 37 1 1 1 1 7 VAL HA . 7 VAL HA 1 1 37 1 2 1 1 20 CYS HB3 . 20 CYSS HB3 1 1 38 1 1 1 1 7 VAL HB . 7 VAL HB 1 1 38 1 2 1 1 8 ARG H . 8 ARG HN 1 1 39 1 1 1 1 7 VAL HB . 7 VAL HB 1 1 39 1 2 1 1 19 ARG HA . 19 ARG HA 1 1 40 1 1 1 1 7 VAL HB . 7 VAL HB 1 1 40 1 2 1 1 20 CYS H . 20 CYSS HN 1 1 41 1 1 1 1 7 VAL HB . 7 VAL HB 1 1 41 1 2 1 1 20 CYS HB3 . 20 CYSS HB3 1 1 42 1 1 1 1 7 VAL MG1 . 7 VAL QG1 1 1 42 1 2 1 1 8 ARG H . 8 ARG HN 1 1 43 1 1 1 1 7 VAL MG2 . 7 VAL QG2 1 1 43 1 2 1 1 8 ARG H . 8 ARG HN 1 1 44 1 1 1 1 7 VAL MG2 . 7 VAL QG2 1 1 44 1 2 1 1 19 ARG HA . 19 ARG HA 1 1 45 1 1 1 1 8 ARG H . 8 ARG HN 1 1 45 1 2 1 1 8 ARG HA . 8 ARG HA 1 1 46 1 1 1 1 8 ARG H . 8 ARG HN 1 1 46 1 2 1 1 9 ASP H . 9 ASP HN 1 1 47 1 1 1 1 8 ARG HA . 8 ARG HA 1 1 47 1 2 1 1 9 ASP H . 9 ASP HN 1 1 48 1 1 1 1 8 ARG HA . 8 ARG HA 1 1 48 1 2 1 1 11 GLN H . 11 GLN HN 1 1 49 1 1 1 1 9 ASP H . 9 ASP HN 1 1 49 1 2 1 1 9 ASP HB3 . 9 ASP HB3 1 1 50 1 1 1 1 9 ASP H . 9 ASP HN 1 1 50 1 2 1 1 10 CYS H . 10 CYSS HN 1 1 51 1 1 1 1 10 CYS H . 10 CYSS HN 1 1 51 1 2 1 1 10 CYS HB3 . 10 CYSS HB3 1 1 52 1 1 1 1 10 CYS HA . 10 CYSS HA 1 1 52 1 2 1 1 10 CYS HB3 . 10 CYSS HB3 1 1 53 1 1 1 1 10 CYS HA . 10 CYSS HA 1 1 53 1 2 1 1 12 GLN H . 12 GLN HN 1 1 54 1 1 1 1 10 CYS HA . 10 CYSS HA 1 1 54 1 2 1 1 13 TYR QD . 13 TYR QD 1 1 55 1 1 1 1 10 CYS HB3 . 10 CYSS HB3 1 1 55 1 2 1 1 17 PRO HB3 . 17 PRO HB3 1 1 56 1 1 1 1 11 GLN H . 11 GLN HN 1 1 56 1 2 1 1 11 GLN HA . 11 GLN HA 1 1 57 1 1 1 1 11 GLN H . 11 GLN HN 1 1 57 1 2 1 1 11 GLN HG3 . 11 GLN HG3 1 1 58 1 1 1 1 11 GLN H . 11 GLN HN 1 1 58 1 2 1 1 12 GLN H . 12 GLN HN 1 1 59 1 1 1 1 11 GLN HA . 11 GLN HA 1 1 59 1 2 1 1 11 GLN HG3 . 11 GLN HG3 1 1 60 1 1 1 1 11 GLN HA . 11 GLN HA 1 1 60 1 2 1 1 12 GLN H . 12 GLN HN 1 1 61 1 1 1 1 11 GLN HA . 11 GLN HA 1 1 61 1 2 1 1 13 TYR H . 13 TYR HN 1 1 62 1 1 1 1 11 GLN HA . 11 GLN HA 1 1 62 1 2 1 1 14 CYS H . 14 CYSS HN 1 1 63 1 1 1 1 11 GLN HA . 11 GLN HA 1 1 63 1 2 1 1 17 PRO HG3 . 17 PRO HG3 1 1 64 1 1 1 1 12 GLN H . 12 GLN HN 1 1 64 1 2 1 1 12 GLN HA . 12 GLN HA 1 1 65 1 1 1 1 12 GLN H . 12 GLN HN 1 1 65 1 2 1 1 12 GLN HG3 . 12 GLN HG3 1 1 66 1 1 1 1 12 GLN H . 12 GLN HN 1 1 66 1 2 1 1 13 TYR H . 13 TYR HN 1 1 67 1 1 1 1 12 GLN HA . 12 GLN HA 1 1 67 1 2 1 1 12 GLN HG3 . 12 GLN HG3 1 1 68 1 1 1 1 12 GLN HA . 12 GLN HA 1 1 68 1 2 1 1 13 TYR H . 13 TYR HN 1 1 69 1 1 1 1 13 TYR H . 13 TYR HN 1 1 69 1 2 1 1 14 CYS H . 14 CYSS HN 1 1 70 1 1 1 1 13 TYR HA . 13 TYR HA 1 1 70 1 2 1 1 13 TYR QD . 13 TYR QD 1 1 71 1 1 1 1 13 TYR HA . 13 TYR HA 1 1 71 1 2 1 1 14 CYS H . 14 CYSS HN 1 1 72 1 1 1 1 13 TYR HB3 . 13 TYR HB3 1 1 72 1 2 1 1 14 CYS H . 14 CYSS HN 1 1 73 1 1 1 1 14 CYS H . 14 CYSS HN 1 1 73 1 2 1 1 14 CYS HB3 . 14 CYSS HB3 1 1 74 1 1 1 1 14 CYS HA . 14 CYSS HA 1 1 74 1 2 1 1 15 LEU H . 15 LEU HN 1 1 75 1 1 1 1 14 CYS HB3 . 14 CYSS HB3 1 1 75 1 2 1 1 15 LEU H . 15 LEU HN 1 1 76 1 1 1 1 14 CYS HB3 . 14 CYSS HB3 1 1 76 1 2 1 1 16 THR H . 16 THR HN 1 1 77 1 1 1 1 14 CYS HB3 . 14 CYSS HB3 1 1 77 1 2 1 1 17 PRO HA . 17 PRO HA 1 1 78 1 1 1 1 14 CYS HB3 . 14 CYSS HB3 1 1 78 1 2 1 1 27 CYS HB3 . 27 CYSS HB3 1 1 79 1 1 1 1 15 LEU H . 15 LEU HN 1 1 79 1 2 1 1 15 LEU HA . 15 LEU HA 1 1 80 1 1 1 1 15 LEU HA . 15 LEU HA 1 1 80 1 2 1 1 15 LEU MD1 . 15 LEU QD1 1 1 81 1 1 1 1 15 LEU HA . 15 LEU HA 1 1 81 1 2 1 1 15 LEU MD2 . 15 LEU QD2 1 1 82 1 1 1 1 16 THR H . 16 THR HN 1 1 82 1 2 1 1 16 THR HB . 16 THR HB 1 1 83 1 1 1 1 16 THR HB . 16 THR HB 1 1 83 1 2 1 1 28 LYS H . 28 LYS HN 1 1 84 1 1 1 1 16 THR MG . 16 THR QG2 1 1 84 1 2 1 1 17 PRO HD3 . 17 PRO HD3 1 1 85 1 1 1 1 17 PRO HA . 17 PRO HA 1 1 85 1 2 1 1 17 PRO HB3 . 17 PRO HB3 1 1 86 1 1 1 1 17 PRO HA . 17 PRO HA 1 1 86 1 2 1 1 18 ASP H . 18 ASP HN 1 1 87 1 1 1 1 17 PRO HA . 17 PRO HA 1 1 87 1 2 1 1 28 LYS H . 28 LYS HN 1 1 88 1 1 1 1 17 PRO HD3 . 17 PRO HD3 1 1 88 1 2 1 1 17 PRO HG3 . 17 PRO HG3 1 1 89 1 1 1 1 18 ASP H . 18 ASP HN 1 1 89 1 2 1 1 18 ASP HB3 . 18 ASP HB3 1 1 90 1 1 1 1 18 ASP H . 18 ASP HN 1 1 90 1 2 1 1 19 ARG H . 19 ARG HN 1 1 91 1 1 1 1 18 ASP H . 18 ASP HN 1 1 91 1 2 1 1 28 LYS H . 28 LYS HN 1 1 92 1 1 1 1 18 ASP HB3 . 18 ASP HB3 1 1 92 1 2 1 1 19 ARG H . 19 ARG HN 1 1 93 1 1 1 1 18 ASP HB3 . 18 ASP HB3 1 1 93 1 2 1 1 19 ARG HG3 . 19 ARG HG3 1 1 94 1 1 1 1 18 ASP HB3 . 18 ASP HB3 1 1 94 1 2 1 1 26 TYR HB3 . 26 TYR HB3 1 1 95 1 1 1 1 19 ARG H . 19 ARG HN 1 1 95 1 2 1 1 19 ARG HG3 . 19 ARG HG3 1 1 96 1 1 1 1 19 ARG H . 19 ARG HN 1 1 96 1 2 1 1 26 TYR H . 26 TYR HN 1 1 97 1 1 1 1 19 ARG H . 19 ARG HN 1 1 97 1 2 1 1 26 TYR HB3 . 26 TYR HB3 1 1 98 1 1 1 1 19 ARG HA . 19 ARG HA 1 1 98 1 2 1 1 20 CYS H . 20 CYSS HN 1 1 99 1 1 1 1 19 ARG HB3 . 19 ARG HB3 1 1 99 1 2 1 1 20 CYS H . 20 CYSS HN 1 1 100 1 1 1 1 19 ARG HE . 19 ARG HE 1 1 100 1 2 1 1 19 ARG HG3 . 19 ARG HG3 1 1 101 1 1 1 1 19 ARG HG3 . 19 ARG HG3 1 1 101 1 2 1 1 26 TYR HB3 . 26 TYR HB3 1 1 102 1 1 1 1 19 ARG HG3 . 19 ARG HG3 1 1 102 1 2 1 1 26 TYR QD . 26 TYR QD 1 1 103 1 1 1 1 20 CYS H . 20 CYSS HN 1 1 103 1 2 1 1 20 CYS HB3 . 20 CYSS HB3 1 1 104 1 1 1 1 20 CYS HA . 20 CYSS HA 1 1 104 1 2 1 1 21 SER H . 21 SER HN 1 1 105 1 1 1 1 20 CYS HA . 20 CYSS HA 1 1 105 1 2 1 1 26 TYR H . 26 TYR HN 1 1 106 1 1 1 1 21 SER H . 21 SER HN 1 1 106 1 2 1 1 21 SER HB3 . 21 SER HB3 1 1 107 1 1 1 1 21 SER H . 21 SER HN 1 1 107 1 2 1 1 24 THR H . 24 THR HN 1 1 108 1 1 1 1 21 SER H . 21 SER HN 1 1 108 1 2 1 1 24 THR HB . 24 THR HB 1 1 109 1 1 1 1 21 SER H . 21 SER HN 1 1 109 1 2 1 1 26 TYR QD . 26 TYR QD 1 1 110 1 1 1 1 21 SER H . 21 SER HN 1 1 110 1 2 1 1 26 TYR QE . 26 TYR QE 1 1 111 1 1 1 1 21 SER HB3 . 21 SER HB3 1 1 111 1 2 1 1 26 TYR QD . 26 TYR QD 1 1 112 1 1 1 1 21 SER HB3 . 21 SER HB3 1 1 112 1 2 1 1 26 TYR QE . 26 TYR QE 1 1 113 1 1 1 1 22 TYR H . 22 TYR HN 1 1 113 1 2 1 1 22 TYR HA . 22 TYR HA 1 1 114 1 1 1 1 22 TYR H . 22 TYR HN 1 1 114 1 2 1 1 23 GLY H . 23 GLY HN 1 1 115 1 1 1 1 22 TYR HA . 22 TYR HA 1 1 115 1 2 1 1 22 TYR HB3 . 22 TYR HB3 1 1 116 1 1 1 1 22 TYR HA . 22 TYR HA 1 1 116 1 2 1 1 22 TYR QD . 22 TYR QD 1 1 117 1 1 1 1 22 TYR HA . 22 TYR HA 1 1 117 1 2 1 1 23 GLY H . 23 GLY HN 1 1 118 1 1 1 1 23 GLY H . 23 GLY HN 1 1 118 1 2 1 1 24 THR H . 24 THR HN 1 1 119 1 1 1 1 24 THR H . 24 THR HN 1 1 119 1 2 1 1 24 THR HB . 24 THR HB 1 1 120 1 1 1 1 24 THR HA . 24 THR HA 1 1 120 1 2 1 1 24 THR MG . 24 THR QG2 1 1 121 1 1 1 1 24 THR HA . 24 THR HA 1 1 121 1 2 1 1 25 CYS H . 25 CYSS HN 1 1 122 1 1 1 1 24 THR HB . 24 THR HB 1 1 122 1 2 1 1 26 TYR QE . 26 TYR QE 1 1 123 1 1 1 1 24 THR MG . 24 THR QG2 1 1 123 1 2 1 1 25 CYS H . 25 CYSS HN 1 1 124 1 1 1 1 24 THR MG . 24 THR QG2 1 1 124 1 2 1 1 26 TYR QD . 26 TYR QD 1 1 125 1 1 1 1 24 THR MG . 24 THR QG2 1 1 125 1 2 1 1 26 TYR QE . 26 TYR QE 1 1 126 1 1 1 1 25 CYS HA . 25 CYSS HA 1 1 126 1 2 1 1 26 TYR H . 26 TYR HN 1 1 127 1 1 1 1 26 TYR H . 26 TYR HN 1 1 127 1 2 1 1 26 TYR HB3 . 26 TYR HB3 1 1 128 1 1 1 1 26 TYR H . 26 TYR HN 1 1 128 1 2 1 1 26 TYR QD . 26 TYR QD 1 1 129 1 1 1 1 26 TYR HB3 . 26 TYR HB3 1 1 129 1 2 1 1 27 CYS H . 27 CYSS HN 1 1 130 1 1 1 1 27 CYS H . 27 CYSS HN 1 1 130 1 2 1 1 27 CYS HB3 . 27 CYSS HB3 1 1 131 1 1 1 1 27 CYS HA . 27 CYSS HA 1 1 131 1 2 1 1 27 CYS HB3 . 27 CYSS HB3 1 1 132 1 1 1 1 27 CYS HA . 27 CYSS HA 1 1 132 1 2 1 1 28 LYS H . 28 LYS HN 1 1 133 1 1 1 1 27 CYS HB3 . 27 CYSS HB3 1 1 133 1 2 1 1 28 LYS H . 28 LYS HN 1 1 134 1 1 1 1 28 LYS H . 28 LYS HN 1 1 134 1 2 1 1 29 THR H . 29 THR HN 1 1 135 1 1 1 1 28 LYS HA . 28 LYS HA 1 1 135 1 2 1 1 29 THR H . 29 THR HN 1 1 136 1 1 1 1 29 THR H . 29 THR HN 1 1 136 1 2 1 1 29 THR HB . 29 THR HB 1 1 137 1 1 1 1 29 THR H . 29 THR HN 1 1 137 1 2 1 1 30 THR H . 30 THR HN 1 1 138 1 1 1 1 29 THR HA . 29 THR HA 1 1 138 1 2 1 1 30 THR H . 30 THR HN 1 1 139 1 1 1 1 30 THR H . 30 THR HN 1 1 139 1 2 1 1 30 THR HB . 30 THR HB 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 . . . . . . . 3.3 1 1 2 1 . . . . . . . 3.9 1 1 3 1 . . . . . . . 3.5 1 1 4 1 . . . . . . . 3.2 1 1 5 1 . . . . . . . 4.6 1 1 6 1 . . . . . . . 4.3 1 1 7 1 . . . . . . . 3.1 1 1 8 1 . . . . . . . 5.1 1 1 9 1 . . . . . . . 3.8 1 1 10 1 . . . . . . . 2.8 1 1 11 1 . . . . . . . 2.8 1 1 12 1 . . . . . . . 3.7 1 1 13 1 . . . . . . . 3.6 1 1 14 1 . . . . . . . 4.8 1 1 15 1 . . . . . . . 3.8 1 1 16 1 . . . . . . . 3.2 1 1 17 1 . . . . . . . 3.8 1 1 18 1 . . . . . . . 4.1 1 1 19 1 . . . . . . . 2.8 1 1 20 1 . . . . . . . 3.8 1 1 21 1 . . . . . . . 2.5 1 1 22 1 . . . . . . . 3.1 1 1 23 1 . . . . . . . 3.3 1 1 24 1 . . . . . . . 4.4 1 1 25 1 . . . . . . . 3.7 1 1 26 1 . . . . . . . 3.0 1 1 27 1 . . . . . . . 2.7 1 1 28 1 . . . . . . . 4.2 1 1 29 1 . . . . . . . 3.3 1 1 30 1 . . . . . . . 3.7 1 1 31 1 . . . . . . . 2.8 1 1 32 1 . . . . . . . 3.5 1 1 33 1 . . . . . . . 4.4 1 1 34 1 . . . . . . . 3.2 1 1 35 1 . . . . . . . 3.9 1 1 36 1 . . . . . . . 3.8 1 1 37 1 . . . . . . . 3.2 1 1 38 1 . . . . . . . 4.3 1 1 39 1 . . . . . . . 4.4 1 1 40 1 . . . . . . . 3.3 1 1 41 1 . . . . . . . 4.7 1 1 42 1 . . . . . . . 3.9 1 1 43 1 . . . . . . . 4.6 1 1 44 1 . . . . . . . 4.6 1 1 45 1 . . . . . . . 2.9 1 1 46 1 . . . . . . . 3.1 1 1 47 1 . . . . . . . 3.7 1 1 48 1 . . . . . . . 3.6 1 1 49 1 . . . . . . . 3.3 1 1 50 1 . . . . . . . 3.0 1 1 51 1 . . . . . . . 3.4 1 1 52 1 . . . . . . . 3.0 1 1 53 1 . . . . . . . 4.7 1 1 54 1 . . . . . . . 5.1 1 1 55 1 . . . . . . . 3.0 1 1 56 1 . . . . . . . 2.9 1 1 57 1 . . . . . . . 2.8 1 1 58 1 . . . . . . . 3.0 1 1 59 1 . . . . . . . 3.5 1 1 60 1 . . . . . . . 3.7 1 1 61 1 . . . . . . . 5.0 1 1 62 1 . . . . . . . 3.6 1 1 63 1 . . . . . . . 3.9 1 1 64 1 . . . . . . . 3.1 1 1 65 1 . . . . . . . 2.9 1 1 66 1 . . . . . . . 2.9 1 1 67 1 . . . . . . . 3.6 1 1 68 1 . . . . . . . 4.1 1 1 69 1 . . . . . . . 2.7 1 1 70 1 . . . . . . . 3.8 1 1 71 1 . . . . . . . 5.0 1 1 72 1 . . . . . . . 4.1 1 1 73 1 . . . . . . . 3.8 1 1 74 1 . . . . . . . 2.7 1 1 75 1 . . . . . . . 3.7 1 1 76 1 . . . . . . . 3.2 1 1 77 1 . . . . . . . 3.2 1 1 78 1 . . . . . . . 2.7 1 1 79 1 . . . . . . . 3.0 1 1 80 1 . . . . . . . 3.7 1 1 81 1 . . . . . . . 4.0 1 1 82 1 . . . . . . . 3.2 1 1 83 1 . . . . . . . 4.1 1 1 84 1 . . . . . . . 5.8 1 1 85 1 . . . . . . . 3.1 1 1 86 1 . . . . . . . 2.8 1 1 87 1 . . . . . . . 3.2 1 1 88 1 . . . . . . . 2.5 1 1 89 1 . . . . . . . 3.1 1 1 90 1 . . . . . . . 2.8 1 1 91 1 . . . . . . . 3.6 1 1 92 1 . . . . . . . 2.8 1 1 93 1 . . . . . . . 3.7 1 1 94 1 . . . . . . . 3.2 1 1 95 1 . . . . . . . 2.5 1 1 96 1 . . . . . . . 3.2 1 1 97 1 . . . . . . . 3.5 1 1 98 1 . . . . . . . 3.0 1 1 99 1 . . . . . . . 4.1 1 1 100 1 . . . . . . . 3.3 1 1 101 1 . . . . . . . 3.2 1 1 102 1 . . . . . . . 6.0 1 1 103 1 . . . . . . . 2.9 1 1 104 1 . . . . . . . 2.6 1 1 105 1 . . . . . . . 4.2 1 1 106 1 . . . . . . . 3.7 1 1 107 1 . . . . . . . 3.3 1 1 108 1 . . . . . . . 5.0 1 1 109 1 . . . . . . . 5.6 1 1 110 1 . . . . . . . 5.7 1 1 111 1 . . . . . . . 6.1 1 1 112 1 . . . . . . . 5.2 1 1 113 1 . . . . . . . 2.7 1 1 114 1 . . . . . . . 3.4 1 1 115 1 . . . . . . . 2.8 1 1 116 1 . . . . . . . 4.1 1 1 117 1 . . . . . . . 3.0 1 1 118 1 . . . . . . . 3.2 1 1 119 1 . . . . . . . 2.9 1 1 120 1 . . . . . . . 3.5 1 1 121 1 . . . . . . . 2.6 1 1 122 1 . . . . . . . 5.1 1 1 123 1 . . . . . . . 3.7 1 1 124 1 . . . . . . . 8.0 1 1 125 1 . . . . . . . 6.7 1 1 126 1 . . . . . . . 3.2 1 1 127 1 . . . . . . . 3.9 1 1 128 1 . . . . . . . 5.1 1 1 129 1 . . . . . . . 3.8 1 1 130 1 . . . . . . . 3.8 1 1 131 1 . . . . . . . 3.1 1 1 132 1 . . . . . . . 3.3 1 1 133 1 . . . . . . . 3.1 1 1 134 1 . . . . . . . 3.6 1 1 135 1 . . . . . . . 4.5 1 1 136 1 . . . . . . . 3.9 1 1 137 1 . . . . . . . 3.9 1 1 138 1 . . . . . . . 3.2 1 1 139 1 . . . . . . . 3.8 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 PCA C C -3.735 7.700 8.636 1.00 . A A . 1 PCA C 1 1 1 2 1 1 1 PCA CA C -4.053 8.256 10.022 1.00 . A A . 1 PCA CA 1 1 1 3 1 1 1 PCA CB C -5.281 7.584 10.653 1.00 . A A . 1 PCA CB 1 1 1 4 1 1 1 PCA CD C -5.744 9.812 9.884 1.00 . A A . 1 PCA CD 1 1 1 5 1 1 1 PCA CG C -6.422 8.483 10.174 1.00 . A A . 1 PCA CG 1 1 1 6 1 1 1 PCA HA H -3.188 8.144 10.680 1.00 . A A . 1 PCA HA 1 1 1 7 1 1 1 PCA HB2 H -5.205 7.658 11.739 1.00 . A A . 1 PCA HB2 1 1 1 8 1 1 1 PCA HB3 H -5.409 6.542 10.358 1.00 . A A . 1 PCA HB3 1 1 1 9 1 1 1 PCA HG2 H -6.855 8.093 9.252 1.00 . A A . 1 PCA HG2 1 1 1 10 1 1 1 PCA HG3 H -7.192 8.585 10.940 1.00 . A A . 1 PCA HG3 1 1 1 11 1 1 1 PCA N N -4.422 9.651 9.882 1.00 . A A . 1 PCA N 1 1 1 12 1 1 1 PCA O O -4.616 7.182 7.955 1.00 . A A . 1 PCA O 1 1 1 13 1 1 1 PCA OE O -6.367 10.856 9.798 1.00 . A A . 1 PCA OE 1 1 1 14 1 1 2 THR C C -0.851 6.449 7.105 1.00 . A A . 2 THR C 1 1 1 15 1 1 2 THR CA C -1.992 7.443 6.906 1.00 . A A . 2 THR CA 1 1 1 16 1 1 2 THR CB C -1.535 8.698 6.150 1.00 . A A . 2 THR CB 1 1 1 17 1 1 2 THR CG2 C -2.738 9.436 5.554 1.00 . A A . 2 THR CG2 1 1 1 18 1 1 2 THR H H -1.799 8.316 8.777 1.00 . A A . 2 THR H 1 1 1 19 1 1 2 THR HA H -2.771 6.955 6.322 1.00 . A A . 2 THR HA 1 1 1 20 1 1 2 THR HB H -0.863 8.396 5.345 1.00 . A A . 2 THR HB 1 1 1 21 1 1 2 THR HG1 H -0.472 10.292 6.524 1.00 . A A . 2 THR HG1 1 1 1 22 1 1 2 THR HG21 H -2.400 10.324 5.019 1.00 . A A . 2 THR HG21 1 1 1 23 1 1 2 THR HG22 H -3.267 8.787 4.855 1.00 . A A . 2 THR HG22 1 1 1 24 1 1 2 THR HG23 H -3.423 9.737 6.348 1.00 . A A . 2 THR HG23 1 1 1 25 1 1 2 THR N N -2.480 7.837 8.210 1.00 . A A . 2 THR N 1 1 1 26 1 1 2 THR O O 0.285 6.836 7.368 1.00 . A A . 2 THR O 1 1 1 27 1 1 2 THR OG1 O -0.878 9.588 7.036 1.00 . A A . 2 THR OG1 1 1 1 28 1 1 3 GLN C C 0.992 4.343 6.012 1.00 . A A . 3 GLN C 1 1 1 29 1 1 3 GLN CA C -0.129 4.112 7.032 1.00 . A A . 3 GLN CA 1 1 1 30 1 1 3 GLN CB C -0.753 2.744 6.756 1.00 . A A . 3 GLN CB 1 1 1 31 1 1 3 GLN CD C -2.385 1.004 7.555 1.00 . A A . 3 GLN CD 1 1 1 32 1 1 3 GLN CG C -1.799 2.340 7.796 1.00 . A A . 3 GLN CG 1 1 1 33 1 1 3 GLN H H -2.118 4.903 6.803 1.00 . A A . 3 GLN H 1 1 1 34 1 1 3 GLN HA H 0.311 4.104 8.031 1.00 . A A . 3 GLN HA 1 1 1 35 1 1 3 GLN HB3 H 0.039 1.992 6.754 1.00 . A A . 3 GLN HB3 1 1 1 36 1 1 3 GLN HE21 H -3.482 1.345 9.242 1.00 . A A . 3 GLN HE21 1 1 1 37 1 1 3 GLN HE22 H -3.544 -0.218 8.507 1.00 . A A . 3 GLN HE22 1 1 1 38 1 1 3 GLN HG3 H -2.683 2.961 7.822 1.00 . A A . 3 GLN HG3 1 1 1 39 1 1 3 GLN N N -1.149 5.156 6.969 1.00 . A A . 3 GLN N 1 1 1 40 1 1 3 GLN NE2 N -3.233 0.699 8.510 1.00 . A A . 3 GLN NE2 1 1 1 41 1 1 3 GLN O O 2.123 3.919 6.232 1.00 . A A . 3 GLN O 1 1 1 42 1 1 3 GLN OE1 O -2.075 0.275 6.618 1.00 . A A . 3 GLN OE1 1 1 1 43 1 1 4 CYS C C 1.389 6.609 3.248 1.00 . A A . 4 CYS C 1 1 1 44 1 1 4 CYS CA C 1.572 5.198 3.766 1.00 . A A . 4 CYS CA 1 1 1 45 1 1 4 CYS CB C 1.302 4.220 2.623 1.00 . A A . 4 CYS CB 1 1 1 46 1 1 4 CYS H H -0.257 5.374 4.780 1.00 . A A . 4 CYS H 1 1 1 47 1 1 4 CYS HA H 2.609 5.077 4.089 1.00 . A A . 4 CYS HA 1 1 1 48 1 1 4 CYS HB3 H 1.585 3.229 2.943 1.00 . A A . 4 CYS HB3 1 1 1 49 1 1 4 CYS N N 0.662 4.964 4.874 1.00 . A A . 4 CYS N 1 1 1 50 1 1 4 CYS O O 0.343 7.228 3.446 1.00 . A A . 4 CYS O 1 1 1 51 1 1 4 CYS SG S -0.397 4.207 1.989 1.00 . A A . 4 CYS SG 1 1 1 52 1 1 5 GLN C C 2.195 8.021 0.332 1.00 . A A . 5 GLN C 1 1 1 53 1 1 5 GLN CA C 2.439 8.322 1.809 1.00 . A A . 5 GLN CA 1 1 1 54 1 1 5 GLN CB C 3.806 8.996 1.978 1.00 . A A . 5 GLN CB 1 1 1 55 1 1 5 GLN CD C 5.473 9.973 3.594 1.00 . A A . 5 GLN CD 1 1 1 56 1 1 5 GLN CG C 4.115 9.295 3.449 1.00 . A A . 5 GLN CG 1 1 1 57 1 1 5 GLN H H 3.209 6.450 2.400 1.00 . A A . 5 GLN H 1 1 1 58 1 1 5 GLN HA H 1.671 9.005 2.178 1.00 . A A . 5 GLN HA 1 1 1 59 1 1 5 GLN HB3 H 3.806 9.933 1.417 1.00 . A A . 5 GLN HB3 1 1 1 60 1 1 5 GLN HE21 H 4.753 11.354 4.905 1.00 . A A . 5 GLN HE21 1 1 1 61 1 1 5 GLN HE22 H 6.454 11.483 4.509 1.00 . A A . 5 GLN HE22 1 1 1 62 1 1 5 GLN HG3 H 4.142 8.369 4.022 1.00 . A A . 5 GLN HG3 1 1 1 63 1 1 5 GLN N N 2.419 7.080 2.554 1.00 . A A . 5 GLN N 1 1 1 64 1 1 5 GLN NE2 N 5.562 11.025 4.401 1.00 . A A . 5 GLN NE2 1 1 1 65 1 1 5 GLN O O 1.574 8.821 -0.367 1.00 . A A . 5 GLN O 1 1 1 66 1 1 5 GLN OE1 O 6.449 9.555 2.970 1.00 . A A . 5 GLN OE1 1 1 1 67 1 1 6 SER C C 2.942 5.122 -1.819 1.00 . A A . 6 SER C 1 1 1 68 1 1 6 SER CA C 2.722 6.617 -1.610 1.00 . A A . 6 SER CA 1 1 1 69 1 1 6 SER CB C 3.831 7.417 -2.311 1.00 . A A . 6 SER CB 1 1 1 70 1 1 6 SER H H 3.207 6.234 0.437 1.00 . A A . 6 SER H 1 1 1 71 1 1 6 SER HA H 1.753 6.889 -2.031 1.00 . A A . 6 SER HA 1 1 1 72 1 1 6 SER HB3 H 3.772 7.255 -3.387 1.00 . A A . 6 SER HB3 1 1 1 73 1 1 6 SER HG H 2.839 9.003 -1.735 1.00 . A A . 6 SER HG 1 1 1 74 1 1 6 SER N N 2.732 6.907 -0.180 1.00 . A A . 6 SER N 1 1 1 75 1 1 6 SER O O 3.381 4.434 -0.906 1.00 . A A . 6 SER O 1 1 1 76 1 1 6 SER OG O 3.730 8.804 -2.054 1.00 . A A . 6 SER OG 1 1 1 77 1 1 7 VAL C C 4.141 2.611 -2.881 1.00 . A A . 7 VAL C 1 1 1 78 1 1 7 VAL CA C 2.794 3.193 -3.339 1.00 . A A . 7 VAL CA 1 1 1 79 1 1 7 VAL CB C 2.508 3.027 -4.839 1.00 . A A . 7 VAL CB 1 1 1 80 1 1 7 VAL CG1 C 3.629 3.562 -5.740 1.00 . A A . 7 VAL CG1 1 1 1 81 1 1 7 VAL CG2 C 2.207 1.568 -5.156 1.00 . A A . 7 VAL CG2 1 1 1 82 1 1 7 VAL H H 2.263 5.172 -3.749 1.00 . A A . 7 VAL H 1 1 1 83 1 1 7 VAL HA H 2.017 2.664 -2.775 1.00 . A A . 7 VAL HA 1 1 1 84 1 1 7 VAL HB H 1.599 3.585 -5.073 1.00 . A A . 7 VAL HB 1 1 1 85 1 1 7 VAL HG11 H 3.316 3.499 -6.782 1.00 . A A . 7 VAL HG11 1 1 1 86 1 1 7 VAL HG12 H 3.839 4.605 -5.503 1.00 . A A . 7 VAL HG12 1 1 1 87 1 1 7 VAL HG13 H 4.538 2.974 -5.616 1.00 . A A . 7 VAL HG13 1 1 1 88 1 1 7 VAL HG21 H 3.082 0.956 -4.949 1.00 . A A . 7 VAL HG21 1 1 1 89 1 1 7 VAL HG22 H 1.373 1.248 -4.535 1.00 . A A . 7 VAL HG22 1 1 1 90 1 1 7 VAL HG23 H 1.933 1.479 -6.206 1.00 . A A . 7 VAL HG23 1 1 1 91 1 1 7 VAL N N 2.661 4.605 -3.017 1.00 . A A . 7 VAL N 1 1 1 92 1 1 7 VAL O O 4.170 1.499 -2.370 1.00 . A A . 7 VAL O 1 1 1 93 1 1 8 ARG C C 6.466 2.455 -1.039 1.00 . A A . 8 ARG C 1 1 1 94 1 1 8 ARG CA C 6.531 3.196 -2.381 1.00 . A A . 8 ARG CA 1 1 1 95 1 1 8 ARG CB C 7.101 4.612 -2.212 1.00 . A A . 8 ARG CB 1 1 1 96 1 1 8 ARG CD C 8.261 5.343 -0.076 1.00 . A A . 8 ARG CD 1 1 1 97 1 1 8 ARG CG C 8.424 4.669 -1.450 1.00 . A A . 8 ARG CG 1 1 1 98 1 1 8 ARG CZ C 7.525 7.594 0.772 1.00 . A A . 8 ARG CZ 1 1 1 99 1 1 8 ARG H H 5.119 4.285 -3.435 1.00 . A A . 8 ARG H 1 1 1 100 1 1 8 ARG HA H 7.173 2.635 -3.060 1.00 . A A . 8 ARG HA 1 1 1 101 1 1 8 ARG HB3 H 6.363 5.230 -1.699 1.00 . A A . 8 ARG HB3 1 1 1 102 1 1 8 ARG HD3 H 9.208 5.273 0.466 1.00 . A A . 8 ARG HD3 1 1 1 103 1 1 8 ARG HE H 8.018 7.152 -1.143 1.00 . A A . 8 ARG HE 1 1 1 104 1 1 8 ARG HG3 H 9.128 5.238 -2.055 1.00 . A A . 8 ARG HG3 1 1 1 105 1 1 8 ARG HH11 H 7.121 6.177 2.208 1.00 . A A . 8 ARG HH11 1 1 1 106 1 1 8 ARG HH12 H 7.010 7.840 2.713 1.00 . A A . 8 ARG HH12 1 1 1 107 1 1 8 ARG HH21 H 7.490 9.300 -0.389 1.00 . A A . 8 ARG HH21 1 1 1 108 1 1 8 ARG HH22 H 7.058 9.485 1.303 1.00 . A A . 8 ARG HH22 1 1 1 109 1 1 8 ARG N N 5.227 3.387 -2.998 1.00 . A A . 8 ARG N 1 1 1 110 1 1 8 ARG NE N 7.901 6.765 -0.218 1.00 . A A . 8 ARG NE 1 1 1 111 1 1 8 ARG NH1 N 7.311 7.167 2.015 1.00 . A A . 8 ARG NH1 1 1 1 112 1 1 8 ARG NH2 N 7.365 8.898 0.527 1.00 . A A . 8 ARG NH2 1 1 1 113 1 1 8 ARG O O 7.148 1.453 -0.827 1.00 . A A . 8 ARG O 1 1 1 114 1 1 9 ASP C C 4.939 1.031 1.136 1.00 . A A . 9 ASP C 1 1 1 115 1 1 9 ASP CA C 5.474 2.459 1.216 1.00 . A A . 9 ASP CA 1 1 1 116 1 1 9 ASP CB C 4.493 3.421 1.890 1.00 . A A . 9 ASP CB 1 1 1 117 1 1 9 ASP CG C 5.106 4.794 2.070 1.00 . A A . 9 ASP CG 1 1 1 118 1 1 9 ASP H H 5.035 3.739 -0.370 1.00 . A A . 9 ASP H 1 1 1 119 1 1 9 ASP HA H 6.424 2.456 1.752 1.00 . A A . 9 ASP HA 1 1 1 120 1 1 9 ASP HB3 H 4.100 3.067 2.829 1.00 . A A . 9 ASP HB3 1 1 1 121 1 1 9 ASP N N 5.649 2.970 -0.124 1.00 . A A . 9 ASP N 1 1 1 122 1 1 9 ASP O O 5.470 0.103 1.753 1.00 . A A . 9 ASP O 1 1 1 123 1 1 9 ASP OD1 O 6.210 4.881 2.650 1.00 . A A . 9 ASP OD1 1 1 1 124 1 1 9 ASP OD2 O 4.491 5.754 1.562 1.00 . A A . 9 ASP OD2 1 1 1 125 1 1 10 CYS C C 4.467 -1.391 -0.601 1.00 . A A . 10 CYS C 1 1 1 126 1 1 10 CYS CA C 3.440 -0.526 0.120 1.00 . A A . 10 CYS CA 1 1 1 127 1 1 10 CYS CB C 2.075 -0.655 -0.557 1.00 . A A . 10 CYS CB 1 1 1 128 1 1 10 CYS H H 3.596 1.572 -0.297 1.00 . A A . 10 CYS H 1 1 1 129 1 1 10 CYS HA H 3.343 -0.953 1.114 1.00 . A A . 10 CYS HA 1 1 1 130 1 1 10 CYS HB3 H 2.300 -1.059 -1.502 1.00 . A A . 10 CYS HB3 1 1 1 131 1 1 10 CYS N N 3.909 0.829 0.313 1.00 . A A . 10 CYS N 1 1 1 132 1 1 10 CYS O O 4.487 -2.587 -0.367 1.00 . A A . 10 CYS O 1 1 1 133 1 1 10 CYS SG S 0.954 -1.752 0.354 1.00 . A A . 10 CYS SG 1 1 1 134 1 1 11 GLN C C 7.215 -2.361 -1.387 1.00 . A A . 11 GLN C 1 1 1 135 1 1 11 GLN CA C 6.209 -1.654 -2.298 1.00 . A A . 11 GLN CA 1 1 1 136 1 1 11 GLN CB C 6.897 -0.803 -3.373 1.00 . A A . 11 GLN CB 1 1 1 137 1 1 11 GLN CD C 6.446 0.528 -5.508 1.00 . A A . 11 GLN CD 1 1 1 138 1 1 11 GLN CG C 5.914 -0.500 -4.511 1.00 . A A . 11 GLN CG 1 1 1 139 1 1 11 GLN H H 5.198 0.143 -1.703 1.00 . A A . 11 GLN H 1 1 1 140 1 1 11 GLN HA H 5.645 -2.432 -2.817 1.00 . A A . 11 GLN HA 1 1 1 141 1 1 11 GLN HB3 H 7.741 -1.357 -3.790 1.00 . A A . 11 GLN HB3 1 1 1 142 1 1 11 GLN HE21 H 5.029 0.027 -6.886 1.00 . A A . 11 GLN HE21 1 1 1 143 1 1 11 GLN HE22 H 6.158 1.289 -7.348 1.00 . A A . 11 GLN HE22 1 1 1 144 1 1 11 GLN HG3 H 4.984 -0.119 -4.098 1.00 . A A . 11 GLN HG3 1 1 1 145 1 1 11 GLN N N 5.277 -0.848 -1.514 1.00 . A A . 11 GLN N 1 1 1 146 1 1 11 GLN NE2 N 5.813 0.624 -6.674 1.00 . A A . 11 GLN NE2 1 1 1 147 1 1 11 GLN O O 7.561 -3.514 -1.630 1.00 . A A . 11 GLN O 1 1 1 148 1 1 11 GLN OE1 O 7.407 1.241 -5.242 1.00 . A A . 11 GLN OE1 1 1 1 149 1 1 12 GLN C C 7.631 -3.325 1.532 1.00 . A A . 12 GLN C 1 1 1 150 1 1 12 GLN CA C 8.476 -2.356 0.684 1.00 . A A . 12 GLN CA 1 1 1 151 1 1 12 GLN CB C 9.248 -1.297 1.466 1.00 . A A . 12 GLN CB 1 1 1 152 1 1 12 GLN CD C 9.186 0.606 3.121 1.00 . A A . 12 GLN CD 1 1 1 153 1 1 12 GLN CG C 8.373 -0.276 2.184 1.00 . A A . 12 GLN CG 1 1 1 154 1 1 12 GLN H H 7.461 -0.732 -0.144 1.00 . A A . 12 GLN H 1 1 1 155 1 1 12 GLN HA H 9.238 -2.955 0.199 1.00 . A A . 12 GLN HA 1 1 1 156 1 1 12 GLN HB3 H 9.939 -0.779 0.801 1.00 . A A . 12 GLN HB3 1 1 1 157 1 1 12 GLN HE21 H 9.893 1.710 1.567 1.00 . A A . 12 GLN HE21 1 1 1 158 1 1 12 GLN HE22 H 10.448 2.175 3.171 1.00 . A A . 12 GLN HE22 1 1 1 159 1 1 12 GLN HG3 H 7.636 -0.831 2.754 1.00 . A A . 12 GLN HG3 1 1 1 160 1 1 12 GLN N N 7.679 -1.700 -0.322 1.00 . A A . 12 GLN N 1 1 1 161 1 1 12 GLN NE2 N 9.908 1.576 2.566 1.00 . A A . 12 GLN NE2 1 1 1 162 1 1 12 GLN O O 8.122 -4.379 1.927 1.00 . A A . 12 GLN O 1 1 1 163 1 1 12 GLN OE1 O 9.177 0.419 4.332 1.00 . A A . 12 GLN OE1 1 1 1 164 1 1 13 TYR C C 5.091 -5.163 1.938 1.00 . A A . 13 TYR C 1 1 1 165 1 1 13 TYR CA C 5.476 -3.834 2.613 1.00 . A A . 13 TYR CA 1 1 1 166 1 1 13 TYR CB C 4.205 -3.037 2.920 1.00 . A A . 13 TYR CB 1 1 1 167 1 1 13 TYR CD1 C 3.878 -3.678 5.353 1.00 . A A . 13 TYR CD1 1 1 1 168 1 1 13 TYR CD2 C 1.996 -3.887 3.825 1.00 . A A . 13 TYR CD2 1 1 1 169 1 1 13 TYR CE1 C 3.067 -4.133 6.407 1.00 . A A . 13 TYR CE1 1 1 1 170 1 1 13 TYR CE2 C 1.184 -4.335 4.879 1.00 . A A . 13 TYR CE2 1 1 1 171 1 1 13 TYR CG C 3.348 -3.572 4.053 1.00 . A A . 13 TYR CG 1 1 1 172 1 1 13 TYR CZ C 1.723 -4.465 6.171 1.00 . A A . 13 TYR CZ 1 1 1 173 1 1 13 TYR H H 6.017 -2.083 1.503 1.00 . A A . 13 TYR H 1 1 1 174 1 1 13 TYR HA H 5.993 -4.060 3.546 1.00 . A A . 13 TYR HA 1 1 1 175 1 1 13 TYR HB3 H 3.600 -3.006 2.016 1.00 . A A . 13 TYR HB3 1 1 1 176 1 1 13 TYR HD1 H 4.900 -3.395 5.550 1.00 . A A . 13 TYR HD1 1 1 1 177 1 1 13 TYR HD2 H 1.565 -3.761 2.845 1.00 . A A . 13 TYR HD2 1 1 1 178 1 1 13 TYR HE1 H 3.475 -4.218 7.404 1.00 . A A . 13 TYR HE1 1 1 1 179 1 1 13 TYR HE2 H 0.146 -4.563 4.689 1.00 . A A . 13 TYR HE2 1 1 1 180 1 1 13 TYR HH H 0.035 -5.059 6.937 1.00 . A A . 13 TYR HH 1 1 1 181 1 1 13 TYR N N 6.365 -2.990 1.808 1.00 . A A . 13 TYR N 1 1 1 182 1 1 13 TYR O O 4.925 -6.182 2.605 1.00 . A A . 13 TYR O 1 1 1 183 1 1 13 TYR OH O 0.940 -4.889 7.202 1.00 . A A . 13 TYR OH 1 1 1 184 1 1 14 CYS C C 4.837 -6.211 -1.536 1.00 . A A . 14 CYS C 1 1 1 185 1 1 14 CYS CA C 4.153 -6.109 -0.182 1.00 . A A . 14 CYS CA 1 1 1 186 1 1 14 CYS CB C 2.703 -5.652 -0.413 1.00 . A A . 14 CYS CB 1 1 1 187 1 1 14 CYS H H 5.098 -4.249 0.174 1.00 . A A . 14 CYS H 1 1 1 188 1 1 14 CYS HA H 4.158 -7.083 0.309 1.00 . A A . 14 CYS HA 1 1 1 189 1 1 14 CYS HB3 H 2.268 -6.129 -1.297 1.00 . A A . 14 CYS HB3 1 1 1 190 1 1 14 CYS N N 4.863 -5.120 0.626 1.00 . A A . 14 CYS N 1 1 1 191 1 1 14 CYS O O 5.169 -5.193 -2.137 1.00 . A A . 14 CYS O 1 1 1 192 1 1 14 CYS SG S 1.582 -5.989 0.968 1.00 . A A . 14 CYS SG 1 1 1 193 1 1 15 LEU C C 4.720 -7.010 -4.464 1.00 . A A . 15 LEU C 1 1 1 194 1 1 15 LEU CA C 5.589 -7.640 -3.371 1.00 . A A . 15 LEU CA 1 1 1 195 1 1 15 LEU CB C 5.796 -9.141 -3.640 1.00 . A A . 15 LEU CB 1 1 1 196 1 1 15 LEU CD1 C 8.338 -9.233 -3.427 1.00 . A A . 15 LEU CD1 1 1 1 197 1 1 15 LEU CD2 C 6.930 -9.696 -1.400 1.00 . A A . 15 LEU CD2 1 1 1 198 1 1 15 LEU CG C 6.998 -9.790 -2.929 1.00 . A A . 15 LEU CG 1 1 1 199 1 1 15 LEU H H 4.719 -8.235 -1.515 1.00 . A A . 15 LEU H 1 1 1 200 1 1 15 LEU HA H 6.552 -7.132 -3.403 1.00 . A A . 15 LEU HA 1 1 1 201 1 1 15 LEU HB3 H 5.951 -9.274 -4.712 1.00 . A A . 15 LEU HB3 1 1 1 202 1 1 15 LEU HD11 H 8.377 -9.272 -4.516 1.00 . A A . 15 LEU HD11 1 1 1 203 1 1 15 LEU HD12 H 8.483 -8.203 -3.099 1.00 . A A . 15 LEU HD12 1 1 1 204 1 1 15 LEU HD13 H 9.153 -9.838 -3.028 1.00 . A A . 15 LEU HD13 1 1 1 205 1 1 15 LEU HD21 H 7.717 -10.314 -0.966 1.00 . A A . 15 LEU HD21 1 1 1 206 1 1 15 LEU HD22 H 7.079 -8.668 -1.070 1.00 . A A . 15 LEU HD22 1 1 1 207 1 1 15 LEU HD23 H 5.967 -10.061 -1.046 1.00 . A A . 15 LEU HD23 1 1 1 208 1 1 15 LEU HG H 6.977 -10.849 -3.188 1.00 . A A . 15 LEU HG 1 1 1 209 1 1 15 LEU N N 4.994 -7.431 -2.057 1.00 . A A . 15 LEU N 1 1 1 210 1 1 15 LEU O O 5.253 -6.409 -5.393 1.00 . A A . 15 LEU O 1 1 1 211 1 1 16 THR C C 1.336 -5.813 -4.701 1.00 . A A . 16 THR C 1 1 1 212 1 1 16 THR CA C 2.456 -6.628 -5.360 1.00 . A A . 16 THR CA 1 1 1 213 1 1 16 THR CB C 1.887 -7.772 -6.214 1.00 . A A . 16 THR CB 1 1 1 214 1 1 16 THR CG2 C 1.141 -7.214 -7.430 1.00 . A A . 16 THR CG2 1 1 1 215 1 1 16 THR H H 3.016 -7.649 -3.572 1.00 . A A . 16 THR H 1 1 1 216 1 1 16 THR HA H 2.975 -5.951 -6.042 1.00 . A A . 16 THR HA 1 1 1 217 1 1 16 THR HB H 1.202 -8.378 -5.615 1.00 . A A . 16 THR HB 1 1 1 218 1 1 16 THR HG1 H 3.466 -8.882 -5.948 1.00 . A A . 16 THR HG1 1 1 1 219 1 1 16 THR HG21 H 1.829 -6.630 -8.042 1.00 . A A . 16 THR HG21 1 1 1 220 1 1 16 THR HG22 H 0.745 -8.038 -8.021 1.00 . A A . 16 THR HG22 1 1 1 221 1 1 16 THR HG23 H 0.319 -6.574 -7.111 1.00 . A A . 16 THR HG23 1 1 1 222 1 1 16 THR N N 3.392 -7.159 -4.370 1.00 . A A . 16 THR N 1 1 1 223 1 1 16 THR O O 0.215 -6.308 -4.537 1.00 . A A . 16 THR O 1 1 1 224 1 1 16 THR OG1 O 2.931 -8.596 -6.692 1.00 . A A . 16 THR OG1 1 1 1 225 1 1 17 PRO C C -0.498 -3.377 -4.812 1.00 . A A . 17 PRO C 1 1 1 226 1 1 17 PRO CA C 0.579 -3.712 -3.785 1.00 . A A . 17 PRO CA 1 1 1 227 1 1 17 PRO CB C 1.274 -2.502 -3.167 1.00 . A A . 17 PRO CB 1 1 1 228 1 1 17 PRO CD C 2.856 -4.087 -3.788 1.00 . A A . 17 PRO CD 1 1 1 229 1 1 17 PRO CG C 2.740 -2.613 -3.537 1.00 . A A . 17 PRO CG 1 1 1 230 1 1 17 PRO HA H 0.198 -4.296 -2.960 1.00 . A A . 17 PRO HA 1 1 1 231 1 1 17 PRO HB3 H 1.098 -2.535 -2.099 1.00 . A A . 17 PRO HB3 1 1 1 232 1 1 17 PRO HD3 H 2.852 -4.424 -2.780 1.00 . A A . 17 PRO HD3 1 1 1 233 1 1 17 PRO HG3 H 3.414 -2.332 -2.743 1.00 . A A . 17 PRO HG3 1 1 1 234 1 1 17 PRO N N 1.605 -4.561 -4.317 1.00 . A A . 17 PRO N 1 1 1 235 1 1 17 PRO O O -0.286 -3.493 -6.019 1.00 . A A . 17 PRO O 1 1 1 236 1 1 18 ASP C C -2.611 -0.946 -5.170 1.00 . A A . 18 ASP C 1 1 1 237 1 1 18 ASP CA C -2.756 -2.458 -5.110 1.00 . A A . 18 ASP CA 1 1 1 238 1 1 18 ASP CB C -4.107 -2.865 -4.510 1.00 . A A . 18 ASP CB 1 1 1 239 1 1 18 ASP CG C -5.207 -2.746 -5.551 1.00 . A A . 18 ASP CG 1 1 1 240 1 1 18 ASP H H -1.734 -2.848 -3.311 1.00 . A A . 18 ASP H 1 1 1 241 1 1 18 ASP HA H -2.677 -2.861 -6.117 1.00 . A A . 18 ASP HA 1 1 1 242 1 1 18 ASP HB3 H -4.357 -2.227 -3.671 1.00 . A A . 18 ASP HB3 1 1 1 243 1 1 18 ASP N N -1.664 -2.973 -4.311 1.00 . A A . 18 ASP N 1 1 1 244 1 1 18 ASP O O -2.410 -0.385 -6.247 1.00 . A A . 18 ASP O 1 1 1 245 1 1 18 ASP OD1 O -5.092 -3.480 -6.559 1.00 . A A . 18 ASP OD1 1 1 1 246 1 1 18 ASP OD2 O -6.112 -1.912 -5.345 1.00 . A A . 18 ASP OD2 1 1 1 247 1 1 19 ARG C C -2.124 1.553 -2.506 1.00 . A A . 19 ARG C 1 1 1 248 1 1 19 ARG CA C -2.539 1.148 -3.914 1.00 . A A . 19 ARG CA 1 1 1 249 1 1 19 ARG CB C -3.872 1.827 -4.246 1.00 . A A . 19 ARG CB 1 1 1 250 1 1 19 ARG CD C -6.401 1.754 -4.341 1.00 . A A . 19 ARG CD 1 1 1 251 1 1 19 ARG CG C -5.122 1.042 -3.873 1.00 . A A . 19 ARG CG 1 1 1 252 1 1 19 ARG CZ C -8.740 2.139 -3.609 1.00 . A A . 19 ARG CZ 1 1 1 253 1 1 19 ARG H H -2.943 -0.758 -3.146 1.00 . A A . 19 ARG H 1 1 1 254 1 1 19 ARG HA H -1.775 1.491 -4.614 1.00 . A A . 19 ARG HA 1 1 1 255 1 1 19 ARG HB3 H -3.901 2.124 -5.296 1.00 . A A . 19 ARG HB3 1 1 1 256 1 1 19 ARG HD3 H -6.648 1.340 -5.323 1.00 . A A . 19 ARG HD3 1 1 1 257 1 1 19 ARG HE H -7.389 0.962 -2.624 1.00 . A A . 19 ARG HE 1 1 1 258 1 1 19 ARG HG3 H -5.073 0.855 -2.812 1.00 . A A . 19 ARG HG3 1 1 1 259 1 1 19 ARG HH11 H -8.244 2.860 -5.441 1.00 . A A . 19 ARG HH11 1 1 1 260 1 1 19 ARG HH12 H -9.856 3.259 -4.933 1.00 . A A . 19 ARG HH12 1 1 1 261 1 1 19 ARG HH21 H -9.547 1.652 -1.765 1.00 . A A . 19 ARG HH21 1 1 1 262 1 1 19 ARG HH22 H -10.610 2.472 -2.848 1.00 . A A . 19 ARG HH22 1 1 1 263 1 1 19 ARG N N -2.680 -0.287 -4.007 1.00 . A A . 19 ARG N 1 1 1 264 1 1 19 ARG NE N -7.538 1.565 -3.421 1.00 . A A . 19 ARG NE 1 1 1 265 1 1 19 ARG NH1 N -8.973 2.811 -4.743 1.00 . A A . 19 ARG NH1 1 1 1 266 1 1 19 ARG NH2 N -9.703 2.067 -2.683 1.00 . A A . 19 ARG NH2 1 1 1 267 1 1 19 ARG O O -2.591 0.984 -1.525 1.00 . A A . 19 ARG O 1 1 1 268 1 1 20 CYS C C -2.681 4.351 -1.411 1.00 . A A . 20 CYS C 1 1 1 269 1 1 20 CYS CA C -1.438 3.489 -1.230 1.00 . A A . 20 CYS CA 1 1 1 270 1 1 20 CYS CB C -0.195 4.361 -1.064 1.00 . A A . 20 CYS CB 1 1 1 271 1 1 20 CYS H H -1.132 3.087 -3.286 1.00 . A A . 20 CYS H 1 1 1 272 1 1 20 CYS HA H -1.535 2.884 -0.331 1.00 . A A . 20 CYS HA 1 1 1 273 1 1 20 CYS HB3 H -0.055 4.963 -1.961 1.00 . A A . 20 CYS HB3 1 1 1 274 1 1 20 CYS N N -1.364 2.643 -2.412 1.00 . A A . 20 CYS N 1 1 1 275 1 1 20 CYS O O -2.736 5.159 -2.337 1.00 . A A . 20 CYS O 1 1 1 276 1 1 20 CYS SG S -0.369 5.486 0.345 1.00 . A A . 20 CYS SG 1 1 1 277 1 1 21 SER C C -5.765 4.603 0.538 1.00 . A A . 21 SER C 1 1 1 278 1 1 21 SER CA C -5.014 4.765 -0.778 1.00 . A A . 21 SER CA 1 1 1 279 1 1 21 SER CB C -5.755 4.124 -1.958 1.00 . A A . 21 SER CB 1 1 1 280 1 1 21 SER H H -3.702 3.404 0.099 1.00 . A A . 21 SER H 1 1 1 281 1 1 21 SER HA H -4.873 5.834 -0.955 1.00 . A A . 21 SER HA 1 1 1 282 1 1 21 SER HB3 H -6.822 4.260 -1.814 1.00 . A A . 21 SER HB3 1 1 1 283 1 1 21 SER HG H -4.424 5.003 -3.086 1.00 . A A . 21 SER HG 1 1 1 284 1 1 21 SER N N -3.730 4.112 -0.625 1.00 . A A . 21 SER N 1 1 1 285 1 1 21 SER O O -5.433 3.712 1.310 1.00 . A A . 21 SER O 1 1 1 286 1 1 21 SER OG O -5.365 4.782 -3.147 1.00 . A A . 21 SER OG 1 1 1 287 1 1 22 TYR C C -6.659 5.331 3.310 1.00 . A A . 22 TYR C 1 1 1 288 1 1 22 TYR CA C -7.538 5.408 2.047 1.00 . A A . 22 TYR CA 1 1 1 289 1 1 22 TYR CB C -8.547 4.263 1.934 1.00 . A A . 22 TYR CB 1 1 1 290 1 1 22 TYR CD1 C -10.816 5.221 2.508 1.00 . A A . 22 TYR CD1 1 1 1 291 1 1 22 TYR CD2 C -9.863 3.532 3.979 1.00 . A A . 22 TYR CD2 1 1 1 292 1 1 22 TYR CE1 C -11.973 5.265 3.305 1.00 . A A . 22 TYR CE1 1 1 1 293 1 1 22 TYR CE2 C -11.021 3.576 4.775 1.00 . A A . 22 TYR CE2 1 1 1 294 1 1 22 TYR CG C -9.756 4.358 2.844 1.00 . A A . 22 TYR CG 1 1 1 295 1 1 22 TYR CZ C -12.073 4.443 4.440 1.00 . A A . 22 TYR CZ 1 1 1 296 1 1 22 TYR H H -6.953 6.201 0.157 1.00 . A A . 22 TYR H 1 1 1 297 1 1 22 TYR HA H -8.132 6.306 2.108 1.00 . A A . 22 TYR HA 1 1 1 298 1 1 22 TYR HB3 H -7.996 3.360 2.151 1.00 . A A . 22 TYR HB3 1 1 1 299 1 1 22 TYR HD1 H -10.749 5.845 1.628 1.00 . A A . 22 TYR HD1 1 1 1 300 1 1 22 TYR HD2 H -9.057 2.863 4.245 1.00 . A A . 22 TYR HD2 1 1 1 301 1 1 22 TYR HE1 H -12.781 5.927 3.033 1.00 . A A . 22 TYR HE1 1 1 1 302 1 1 22 TYR HE2 H -11.099 2.946 5.649 1.00 . A A . 22 TYR HE2 1 1 1 303 1 1 22 TYR HH H -13.855 5.094 4.898 1.00 . A A . 22 TYR HH 1 1 1 304 1 1 22 TYR N N -6.740 5.472 0.821 1.00 . A A . 22 TYR N 1 1 1 305 1 1 22 TYR O O -7.014 4.685 4.292 1.00 . A A . 22 TYR O 1 1 1 306 1 1 22 TYR OH O -13.198 4.467 5.209 1.00 . A A . 22 TYR OH 1 1 1 307 1 1 23 GLY C C -4.119 4.568 4.830 1.00 . A A . 23 GLY C 1 1 1 308 1 1 23 GLY CA C -4.507 5.971 4.350 1.00 . A A . 23 GLY CA 1 1 1 309 1 1 23 GLY H H -5.260 6.493 2.437 1.00 . A A . 23 GLY H 1 1 1 310 1 1 23 GLY HA2 H -3.606 6.469 3.995 1.00 . A A . 23 GLY HA2 1 1 1 311 1 1 23 GLY HA3 H -4.913 6.534 5.191 1.00 . A A . 23 GLY HA3 1 1 1 312 1 1 23 GLY N N -5.486 5.976 3.271 1.00 . A A . 23 GLY N 1 1 1 313 1 1 23 GLY O O -3.755 4.391 5.992 1.00 . A A . 23 GLY O 1 1 1 314 1 1 24 THR C C -3.458 1.467 3.031 1.00 . A A . 24 THR C 1 1 1 315 1 1 24 THR CA C -3.949 2.161 4.297 1.00 . A A . 24 THR CA 1 1 1 316 1 1 24 THR CB C -5.243 1.552 4.857 1.00 . A A . 24 THR CB 1 1 1 317 1 1 24 THR CG2 C -5.195 0.024 4.946 1.00 . A A . 24 THR CG2 1 1 1 318 1 1 24 THR H H -4.521 3.735 3.020 1.00 . A A . 24 THR H 1 1 1 319 1 1 24 THR HA H -3.178 2.082 5.057 1.00 . A A . 24 THR HA 1 1 1 320 1 1 24 THR HB H -6.080 1.835 4.214 1.00 . A A . 24 THR HB 1 1 1 321 1 1 24 THR HG1 H -5.146 2.972 6.199 1.00 . A A . 24 THR HG1 1 1 1 322 1 1 24 THR HG21 H -5.154 -0.419 3.951 1.00 . A A . 24 THR HG21 1 1 1 323 1 1 24 THR HG22 H -4.319 -0.291 5.514 1.00 . A A . 24 THR HG22 1 1 1 324 1 1 24 THR HG23 H -6.093 -0.335 5.451 1.00 . A A . 24 THR HG23 1 1 1 325 1 1 24 THR N N -4.187 3.558 3.961 1.00 . A A . 24 THR N 1 1 1 326 1 1 24 THR O O -4.180 1.414 2.042 1.00 . A A . 24 THR O 1 1 1 327 1 1 24 THR OG1 O -5.456 2.060 6.160 1.00 . A A . 24 THR OG1 1 1 1 328 1 1 25 CYS C C -2.254 -0.864 1.418 1.00 . A A . 25 CYS C 1 1 1 329 1 1 25 CYS CA C -1.625 0.487 1.789 1.00 . A A . 25 CYS CA 1 1 1 330 1 1 25 CYS CB C -0.091 0.573 1.804 1.00 . A A . 25 CYS CB 1 1 1 331 1 1 25 CYS H H -1.676 0.957 3.880 1.00 . A A . 25 CYS H 1 1 1 332 1 1 25 CYS HA H -1.909 1.199 1.019 1.00 . A A . 25 CYS HA 1 1 1 333 1 1 25 CYS HB3 H 0.217 1.368 2.478 1.00 . A A . 25 CYS HB3 1 1 1 334 1 1 25 CYS N N -2.212 0.988 3.024 1.00 . A A . 25 CYS N 1 1 1 335 1 1 25 CYS O O -2.017 -1.897 2.039 1.00 . A A . 25 CYS O 1 1 1 336 1 1 25 CYS SG S 0.854 -0.885 2.230 1.00 . A A . 25 CYS SG 1 1 1 337 1 1 26 TYR C C -2.898 -2.820 -0.867 1.00 . A A . 26 TYR C 1 1 1 338 1 1 26 TYR CA C -3.879 -1.943 -0.107 1.00 . A A . 26 TYR CA 1 1 1 339 1 1 26 TYR CB C -4.911 -1.395 -1.098 1.00 . A A . 26 TYR CB 1 1 1 340 1 1 26 TYR CD1 C -7.277 -1.473 -0.237 1.00 . A A . 26 TYR CD1 1 1 1 341 1 1 26 TYR CD2 C -6.136 0.674 -0.307 1.00 . A A . 26 TYR CD2 1 1 1 342 1 1 26 TYR CE1 C -8.490 -0.822 0.039 1.00 . A A . 26 TYR CE1 1 1 1 343 1 1 26 TYR CE2 C -7.361 1.326 -0.100 1.00 . A A . 26 TYR CE2 1 1 1 344 1 1 26 TYR CG C -6.110 -0.722 -0.469 1.00 . A A . 26 TYR CG 1 1 1 345 1 1 26 TYR CZ C -8.535 0.580 0.076 1.00 . A A . 26 TYR CZ 1 1 1 346 1 1 26 TYR H H -3.239 0.063 -0.063 1.00 . A A . 26 TYR H 1 1 1 347 1 1 26 TYR HA H -4.371 -2.504 0.689 1.00 . A A . 26 TYR HA 1 1 1 348 1 1 26 TYR HB3 H -5.296 -2.211 -1.704 1.00 . A A . 26 TYR HB3 1 1 1 349 1 1 26 TYR HD1 H -7.266 -2.546 -0.362 1.00 . A A . 26 TYR HD1 1 1 1 350 1 1 26 TYR HD2 H -5.232 1.252 -0.429 1.00 . A A . 26 TYR HD2 1 1 1 351 1 1 26 TYR HE1 H -9.397 -1.404 0.116 1.00 . A A . 26 TYR HE1 1 1 1 352 1 1 26 TYR HE2 H -7.402 2.402 -0.071 1.00 . A A . 26 TYR HE2 1 1 1 353 1 1 26 TYR HH H -10.456 0.705 0.306 1.00 . A A . 26 TYR HH 1 1 1 354 1 1 26 TYR N N -3.149 -0.816 0.435 1.00 . A A . 26 TYR N 1 1 1 355 1 1 26 TYR O O -2.154 -2.279 -1.687 1.00 . A A . 26 TYR O 1 1 1 356 1 1 26 TYR OH O -9.732 1.213 -0.076 1.00 . A A . 26 TYR OH 1 1 1 357 1 1 27 CYS C C -2.998 -5.986 -2.270 1.00 . A A . 27 CYS C 1 1 1 358 1 1 27 CYS CA C -2.122 -5.093 -1.409 1.00 . A A . 27 CYS CA 1 1 1 359 1 1 27 CYS CB C -1.139 -5.884 -0.540 1.00 . A A . 27 CYS CB 1 1 1 360 1 1 27 CYS H H -3.575 -4.535 0.017 1.00 . A A . 27 CYS H 1 1 1 361 1 1 27 CYS HA H -1.542 -4.514 -2.096 1.00 . A A . 27 CYS HA 1 1 1 362 1 1 27 CYS HB3 H -0.464 -6.424 -1.202 1.00 . A A . 27 CYS HB3 1 1 1 363 1 1 27 CYS N N -2.923 -4.144 -0.646 1.00 . A A . 27 CYS N 1 1 1 364 1 1 27 CYS O O -4.084 -6.375 -1.852 1.00 . A A . 27 CYS O 1 1 1 365 1 1 27 CYS SG S -0.099 -4.854 0.513 1.00 . A A . 27 CYS SG 1 1 1 366 1 1 28 LYS C C -3.622 -8.345 -4.243 1.00 . A A . 28 LYS C 1 1 1 367 1 1 28 LYS CA C -3.382 -6.861 -4.522 1.00 . A A . 28 LYS CA 1 1 1 368 1 1 28 LYS CB C -2.701 -6.612 -5.873 1.00 . A A . 28 LYS CB 1 1 1 369 1 1 28 LYS CD C -3.064 -6.494 -8.393 1.00 . A A . 28 LYS CD 1 1 1 370 1 1 28 LYS CE C -2.453 -5.096 -8.589 1.00 . A A . 28 LYS CE 1 1 1 371 1 1 28 LYS CG C -3.709 -6.722 -7.014 1.00 . A A . 28 LYS CG 1 1 1 372 1 1 28 LYS H H -1.621 -5.992 -3.805 1.00 . A A . 28 LYS H 1 1 1 373 1 1 28 LYS HA H -4.344 -6.345 -4.512 1.00 . A A . 28 LYS HA 1 1 1 374 1 1 28 LYS HB3 H -1.885 -7.322 -6.017 1.00 . A A . 28 LYS HB3 1 1 1 375 1 1 28 LYS HD3 H -3.819 -6.673 -9.162 1.00 . A A . 28 LYS HD3 1 1 1 376 1 1 28 LYS HE3 H -2.010 -5.049 -9.585 1.00 . A A . 28 LYS HE3 1 1 1 377 1 1 28 LYS HG3 H -4.509 -6.005 -6.830 1.00 . A A . 28 LYS HG3 1 1 1 378 1 1 28 LYS HZ1 H -4.170 -4.083 -9.170 1.00 . A A . 28 LYS HZ1 1 1 1 379 1 1 28 LYS HZ2 H -3.928 -4.036 -7.565 1.00 . A A . 28 LYS HZ2 1 1 1 380 1 1 28 LYS HZ3 H -3.009 -3.107 -8.533 1.00 . A A . 28 LYS HZ3 1 1 1 381 1 1 28 LYS N N -2.545 -6.272 -3.498 1.00 . A A . 28 LYS N 1 1 1 382 1 1 28 LYS NZ N -3.449 -4.013 -8.467 1.00 . A A . 28 LYS NZ 1 1 1 383 1 1 28 LYS O O -4.686 -8.879 -4.549 1.00 . A A . 28 LYS O 1 1 1 384 1 1 29 THR C C -1.739 -10.658 -2.138 1.00 . A A . 29 THR C 1 1 1 385 1 1 29 THR CA C -2.725 -10.422 -3.281 1.00 . A A . 29 THR CA 1 1 1 386 1 1 29 THR CB C -2.463 -11.344 -4.486 1.00 . A A . 29 THR CB 1 1 1 387 1 1 29 THR CG2 C -2.806 -12.800 -4.153 1.00 . A A . 29 THR CG2 1 1 1 388 1 1 29 THR H H -1.762 -8.537 -3.475 1.00 . A A . 29 THR H 1 1 1 389 1 1 29 THR HA H -3.734 -10.615 -2.910 1.00 . A A . 29 THR HA 1 1 1 390 1 1 29 THR HB H -1.414 -11.286 -4.780 1.00 . A A . 29 THR HB 1 1 1 391 1 1 29 THR HG1 H -4.025 -10.475 -5.274 1.00 . A A . 29 THR HG1 1 1 1 392 1 1 29 THR HG21 H -3.855 -12.883 -3.865 1.00 . A A . 29 THR HG21 1 1 1 393 1 1 29 THR HG22 H -2.630 -13.422 -5.030 1.00 . A A . 29 THR HG22 1 1 1 394 1 1 29 THR HG23 H -2.177 -13.160 -3.337 1.00 . A A . 29 THR HG23 1 1 1 395 1 1 29 THR N N -2.622 -9.027 -3.679 1.00 . A A . 29 THR N 1 1 1 396 1 1 29 THR O O -0.578 -11.000 -2.365 1.00 . A A . 29 THR O 1 1 1 397 1 1 29 THR OG1 O -3.249 -10.955 -5.596 1.00 . A A . 29 THR OG1 1 1 1 398 1 1 30 THR C C -2.373 -10.890 1.445 1.00 . A A . 30 THR C 1 1 1 399 1 1 30 THR CA C -1.383 -10.668 0.300 1.00 . A A . 30 THR CA 1 1 1 400 1 1 30 THR CB C -0.449 -9.472 0.571 1.00 . A A . 30 THR CB 1 1 1 401 1 1 30 THR CG2 C 0.626 -9.811 1.607 1.00 . A A . 30 THR CG2 1 1 1 402 1 1 30 THR H H -3.129 -10.128 -0.738 1.00 . A A . 30 THR H 1 1 1 403 1 1 30 THR HA H -0.792 -11.574 0.159 1.00 . A A . 30 THR HA 1 1 1 404 1 1 30 THR HB H -1.040 -8.636 0.947 1.00 . A A . 30 THR HB 1 1 1 405 1 1 30 THR HG1 H 0.300 -9.832 -1.193 1.00 . A A . 30 THR HG1 1 1 1 406 1 1 30 THR HG21 H 0.173 -10.029 2.575 1.00 . A A . 30 THR HG21 1 1 1 407 1 1 30 THR HG22 H 1.212 -10.668 1.278 1.00 . A A . 30 THR HG22 1 1 1 408 1 1 30 THR HG23 H 1.291 -8.956 1.726 1.00 . A A . 30 THR HG23 1 1 1 409 1 1 30 THR N N -2.175 -10.431 -0.898 1.00 . A A . 30 THR N 1 1 1 410 1 1 30 THR O O -3.479 -10.360 1.403 1.00 . A A . 30 THR O 1 1 1 411 1 1 30 THR OG1 O 0.202 -9.062 -0.617 1.00 . A A . 30 THR OG1 1 1 1 412 1 1 31 NH2 HN1 H -1.099 -12.125 2.453 1.00 . A A . 31 NH2 HN1 1 1 1 413 1 1 31 NH2 HN2 H -2.660 -11.850 3.201 1.00 . A A . 31 NH2 HN2 1 1 1 414 1 1 31 NH2 N N -2.007 -11.687 2.449 1.00 . A A . 31 NH2 N 1 1 2 415 1 1 1 PCA C C -0.862 8.888 7.207 1.00 . A A . 1 PCA C 1 1 2 416 1 1 1 PCA CA C 0.001 9.730 6.268 1.00 . A A . 1 PCA CA 1 1 2 417 1 1 1 PCA CB C 1.413 9.873 6.847 1.00 . A A . 1 PCA CB 1 1 2 418 1 1 1 PCA CD C 0.113 11.881 7.075 1.00 . A A . 1 PCA CD 1 1 2 419 1 1 1 PCA CG C 1.262 11.121 7.719 1.00 . A A . 1 PCA CG 1 1 2 420 1 1 1 PCA HA H 0.020 9.284 5.275 1.00 . A A . 1 PCA HA 1 1 2 421 1 1 1 PCA HB2 H 2.114 10.083 6.039 1.00 . A A . 1 PCA HB2 1 1 2 422 1 1 1 PCA HB3 H 1.740 9.000 7.413 1.00 . A A . 1 PCA HB3 1 1 2 423 1 1 1 PCA HG2 H 0.980 10.842 8.734 1.00 . A A . 1 PCA HG2 1 1 2 424 1 1 1 PCA HG3 H 2.179 11.709 7.730 1.00 . A A . 1 PCA HG3 1 1 2 425 1 1 1 PCA N N -0.511 11.087 6.206 1.00 . A A . 1 PCA N 1 1 2 426 1 1 1 PCA O O -1.526 9.420 8.097 1.00 . A A . 1 PCA O 1 1 2 427 1 1 1 PCA OE O -0.053 13.078 7.243 1.00 . A A . 1 PCA OE 1 1 2 428 1 1 2 THR C C -0.674 5.377 8.019 1.00 . A A . 2 THR C 1 1 2 429 1 1 2 THR CA C -1.515 6.649 7.949 1.00 . A A . 2 THR CA 1 1 2 430 1 1 2 THR CB C -2.990 6.492 7.555 1.00 . A A . 2 THR CB 1 1 2 431 1 1 2 THR CG2 C -3.823 5.785 8.632 1.00 . A A . 2 THR CG2 1 1 2 432 1 1 2 THR H H -0.341 7.181 6.242 1.00 . A A . 2 THR H 1 1 2 433 1 1 2 THR HA H -1.502 7.029 8.961 1.00 . A A . 2 THR HA 1 1 2 434 1 1 2 THR HB H -3.025 5.959 6.610 1.00 . A A . 2 THR HB 1 1 2 435 1 1 2 THR HG1 H -3.077 8.425 7.813 1.00 . A A . 2 THR HG1 1 1 2 436 1 1 2 THR HG21 H -3.807 6.371 9.551 1.00 . A A . 2 THR HG21 1 1 2 437 1 1 2 THR HG22 H -4.855 5.701 8.292 1.00 . A A . 2 THR HG22 1 1 2 438 1 1 2 THR HG23 H -3.449 4.785 8.844 1.00 . A A . 2 THR HG23 1 1 2 439 1 1 2 THR N N -0.855 7.570 7.028 1.00 . A A . 2 THR N 1 1 2 440 1 1 2 THR O O 0.489 5.450 8.404 1.00 . A A . 2 THR O 1 1 2 441 1 1 2 THR OG1 O -3.587 7.754 7.334 1.00 . A A . 2 THR OG1 1 1 2 442 1 1 3 GLN C C 0.714 3.271 6.415 1.00 . A A . 3 GLN C 1 1 2 443 1 1 3 GLN CA C -0.386 3.026 7.451 1.00 . A A . 3 GLN CA 1 1 2 444 1 1 3 GLN CB C -1.233 1.833 7.007 1.00 . A A . 3 GLN CB 1 1 2 445 1 1 3 GLN CD C -3.085 0.264 7.663 1.00 . A A . 3 GLN CD 1 1 2 446 1 1 3 GLN CG C -2.310 1.468 8.029 1.00 . A A . 3 GLN CG 1 1 2 447 1 1 3 GLN H H -2.173 4.215 7.305 1.00 . A A . 3 GLN H 1 1 2 448 1 1 3 GLN HA H 0.086 2.784 8.406 1.00 . A A . 3 GLN HA 1 1 2 449 1 1 3 GLN HB3 H -0.573 0.975 6.873 1.00 . A A . 3 GLN HB3 1 1 2 450 1 1 3 GLN HE21 H -4.227 0.675 9.302 1.00 . A A . 3 GLN HE21 1 1 2 451 1 1 3 GLN HE22 H -4.371 -0.872 8.546 1.00 . A A . 3 GLN HE22 1 1 2 452 1 1 3 GLN HG3 H -3.086 2.210 8.157 1.00 . A A . 3 GLN HG3 1 1 2 453 1 1 3 GLN N N -1.208 4.224 7.609 1.00 . A A . 3 GLN N 1 1 2 454 1 1 3 GLN NE2 N -4.032 0.038 8.545 1.00 . A A . 3 GLN NE2 1 1 2 455 1 1 3 GLN O O 1.782 2.669 6.482 1.00 . A A . 3 GLN O 1 1 2 456 1 1 3 GLN OE1 O -2.814 -0.463 6.710 1.00 . A A . 3 GLN OE1 1 1 2 457 1 1 4 CYS C C 1.199 6.039 4.182 1.00 . A A . 4 CYS C 1 1 2 458 1 1 4 CYS CA C 1.307 4.535 4.369 1.00 . A A . 4 CYS CA 1 1 2 459 1 1 4 CYS CB C 0.924 3.816 3.072 1.00 . A A . 4 CYS CB 1 1 2 460 1 1 4 CYS H H -0.483 4.590 5.450 1.00 . A A . 4 CYS H 1 1 2 461 1 1 4 CYS HA H 2.336 4.287 4.631 1.00 . A A . 4 CYS HA 1 1 2 462 1 1 4 CYS HB3 H 1.264 2.793 3.173 1.00 . A A . 4 CYS HB3 1 1 2 463 1 1 4 CYS N N 0.417 4.133 5.440 1.00 . A A . 4 CYS N 1 1 2 464 1 1 4 CYS O O 0.163 6.638 4.477 1.00 . A A . 4 CYS O 1 1 2 465 1 1 4 CYS SG S -0.848 3.799 2.669 1.00 . A A . 4 CYS SG 1 1 2 466 1 1 5 GLN C C 1.725 8.012 1.750 1.00 . A A . 5 GLN C 1 1 2 467 1 1 5 GLN CA C 2.316 7.987 3.163 1.00 . A A . 5 GLN CA 1 1 2 468 1 1 5 GLN CB C 3.767 8.473 3.162 1.00 . A A . 5 GLN CB 1 1 2 469 1 1 5 GLN CD C 5.191 10.529 2.772 1.00 . A A . 5 GLN CD 1 1 2 470 1 1 5 GLN CG C 3.805 10.004 3.127 1.00 . A A . 5 GLN CG 1 1 2 471 1 1 5 GLN H H 3.153 6.092 3.671 1.00 . A A . 5 GLN H 1 1 2 472 1 1 5 GLN HA H 1.744 8.663 3.796 1.00 . A A . 5 GLN HA 1 1 2 473 1 1 5 GLN HB3 H 4.296 8.061 2.301 1.00 . A A . 5 GLN HB3 1 1 2 474 1 1 5 GLN HE21 H 6.060 9.452 4.265 1.00 . A A . 5 GLN HE21 1 1 2 475 1 1 5 GLN HE22 H 7.136 10.450 3.299 1.00 . A A . 5 GLN HE22 1 1 2 476 1 1 5 GLN HG3 H 3.519 10.399 4.101 1.00 . A A . 5 GLN HG3 1 1 2 477 1 1 5 GLN N N 2.281 6.632 3.684 1.00 . A A . 5 GLN N 1 1 2 478 1 1 5 GLN NE2 N 6.212 10.112 3.516 1.00 . A A . 5 GLN NE2 1 1 2 479 1 1 5 GLN O O 1.006 8.939 1.387 1.00 . A A . 5 GLN O 1 1 2 480 1 1 5 GLN OE1 O 5.351 11.301 1.832 1.00 . A A . 5 GLN OE1 1 1 2 481 1 1 6 SER C C 2.100 5.459 -0.893 1.00 . A A . 6 SER C 1 1 2 482 1 1 6 SER CA C 1.727 6.882 -0.475 1.00 . A A . 6 SER CA 1 1 2 483 1 1 6 SER CB C 2.492 7.924 -1.304 1.00 . A A . 6 SER CB 1 1 2 484 1 1 6 SER H H 2.606 6.244 1.328 1.00 . A A . 6 SER H 1 1 2 485 1 1 6 SER HA H 0.653 7.020 -0.610 1.00 . A A . 6 SER HA 1 1 2 486 1 1 6 SER HB3 H 2.481 7.654 -2.362 1.00 . A A . 6 SER HB3 1 1 2 487 1 1 6 SER HG H 1.571 9.325 -0.291 1.00 . A A . 6 SER HG 1 1 2 488 1 1 6 SER N N 2.075 7.013 0.937 1.00 . A A . 6 SER N 1 1 2 489 1 1 6 SER O O 2.679 4.729 -0.094 1.00 . A A . 6 SER O 1 1 2 490 1 1 6 SER OG O 1.888 9.197 -1.195 1.00 . A A . 6 SER OG 1 1 2 491 1 1 7 VAL C C 3.500 3.259 -2.345 1.00 . A A . 7 VAL C 1 1 2 492 1 1 7 VAL CA C 2.059 3.709 -2.624 1.00 . A A . 7 VAL CA 1 1 2 493 1 1 7 VAL CB C 1.670 3.661 -4.111 1.00 . A A . 7 VAL CB 1 1 2 494 1 1 7 VAL CG1 C 2.656 4.392 -5.032 1.00 . A A . 7 VAL CG1 1 1 2 495 1 1 7 VAL CG2 C 1.500 2.213 -4.551 1.00 . A A . 7 VAL CG2 1 1 2 496 1 1 7 VAL H H 1.271 5.640 -2.758 1.00 . A A . 7 VAL H 1 1 2 497 1 1 7 VAL HA H 1.398 3.031 -2.080 1.00 . A A . 7 VAL HA 1 1 2 498 1 1 7 VAL HB H 0.694 4.138 -4.223 1.00 . A A . 7 VAL HB 1 1 2 499 1 1 7 VAL HG11 H 2.799 5.418 -4.694 1.00 . A A . 7 VAL HG11 1 1 2 500 1 1 7 VAL HG12 H 3.619 3.880 -5.053 1.00 . A A . 7 VAL HG12 1 1 2 501 1 1 7 VAL HG13 H 2.255 4.411 -6.045 1.00 . A A . 7 VAL HG13 1 1 2 502 1 1 7 VAL HG21 H 0.747 1.749 -3.915 1.00 . A A . 7 VAL HG21 1 1 2 503 1 1 7 VAL HG22 H 1.161 2.188 -5.586 1.00 . A A . 7 VAL HG22 1 1 2 504 1 1 7 VAL HG23 H 2.444 1.679 -4.458 1.00 . A A . 7 VAL HG23 1 1 2 505 1 1 7 VAL N N 1.793 5.050 -2.129 1.00 . A A . 7 VAL N 1 1 2 506 1 1 7 VAL O O 3.727 2.110 -1.979 1.00 . A A . 7 VAL O 1 1 2 507 1 1 8 ARG C C 6.051 3.301 -0.770 1.00 . A A . 8 ARG C 1 1 2 508 1 1 8 ARG CA C 5.861 3.979 -2.132 1.00 . A A . 8 ARG CA 1 1 2 509 1 1 8 ARG CB C 6.571 5.339 -2.181 1.00 . A A . 8 ARG CB 1 1 2 510 1 1 8 ARG CD C 8.803 6.495 -2.297 1.00 . A A . 8 ARG CD 1 1 2 511 1 1 8 ARG CG C 8.081 5.142 -2.299 1.00 . A A . 8 ARG CG 1 1 2 512 1 1 8 ARG CZ C 10.885 6.137 -3.639 1.00 . A A . 8 ARG CZ 1 1 2 513 1 1 8 ARG H H 4.207 5.095 -2.799 1.00 . A A . 8 ARG H 1 1 2 514 1 1 8 ARG HA H 6.284 3.332 -2.897 1.00 . A A . 8 ARG HA 1 1 2 515 1 1 8 ARG HB3 H 6.332 5.912 -1.284 1.00 . A A . 8 ARG HB3 1 1 2 516 1 1 8 ARG HD3 H 8.628 6.972 -1.329 1.00 . A A . 8 ARG HD3 1 1 2 517 1 1 8 ARG HE H 10.807 6.406 -1.623 1.00 . A A . 8 ARG HE 1 1 2 518 1 1 8 ARG HG3 H 8.267 4.599 -3.224 1.00 . A A . 8 ARG HG3 1 1 2 519 1 1 8 ARG HH11 H 9.166 6.035 -4.711 1.00 . A A . 8 ARG HH11 1 1 2 520 1 1 8 ARG HH12 H 10.608 5.868 -5.663 1.00 . A A . 8 ARG HH12 1 1 2 521 1 1 8 ARG HH21 H 12.766 6.152 -2.834 1.00 . A A . 8 ARG HH21 1 1 2 522 1 1 8 ARG HH22 H 12.711 5.912 -4.548 1.00 . A A . 8 ARG HH22 1 1 2 523 1 1 8 ARG N N 4.460 4.183 -2.461 1.00 . A A . 8 ARG N 1 1 2 524 1 1 8 ARG NE N 10.257 6.338 -2.468 1.00 . A A . 8 ARG NE 1 1 2 525 1 1 8 ARG NH1 N 10.172 6.011 -4.765 1.00 . A A . 8 ARG NH1 1 1 2 526 1 1 8 ARG NH2 N 12.220 6.062 -3.680 1.00 . A A . 8 ARG NH2 1 1 2 527 1 1 8 ARG O O 6.912 2.436 -0.624 1.00 . A A . 8 ARG O 1 1 2 528 1 1 9 ASP C C 4.907 1.586 1.398 1.00 . A A . 9 ASP C 1 1 2 529 1 1 9 ASP CA C 5.306 3.049 1.534 1.00 . A A . 9 ASP CA 1 1 2 530 1 1 9 ASP CB C 4.374 3.761 2.526 1.00 . A A . 9 ASP CB 1 1 2 531 1 1 9 ASP CG C 5.116 4.352 3.706 1.00 . A A . 9 ASP CG 1 1 2 532 1 1 9 ASP H H 4.493 4.331 0.043 1.00 . A A . 9 ASP H 1 1 2 533 1 1 9 ASP HA H 6.340 3.098 1.876 1.00 . A A . 9 ASP HA 1 1 2 534 1 1 9 ASP HB3 H 3.655 3.051 2.934 1.00 . A A . 9 ASP HB3 1 1 2 535 1 1 9 ASP N N 5.249 3.682 0.226 1.00 . A A . 9 ASP N 1 1 2 536 1 1 9 ASP O O 5.599 0.685 1.873 1.00 . A A . 9 ASP O 1 1 2 537 1 1 9 ASP OD1 O 6.061 3.689 4.187 1.00 . A A . 9 ASP OD1 1 1 2 538 1 1 9 ASP OD2 O 4.696 5.464 4.093 1.00 . A A . 9 ASP OD2 1 1 2 539 1 1 10 CYS C C 4.566 -0.778 -0.297 1.00 . A A . 10 CYS C 1 1 2 540 1 1 10 CYS CA C 3.463 -0.066 0.477 1.00 . A A . 10 CYS CA 1 1 2 541 1 1 10 CYS CB C 2.108 -0.345 -0.179 1.00 . A A . 10 CYS CB 1 1 2 542 1 1 10 CYS H H 3.311 2.065 0.216 1.00 . A A . 10 CYS H 1 1 2 543 1 1 10 CYS HA H 3.434 -0.523 1.462 1.00 . A A . 10 CYS HA 1 1 2 544 1 1 10 CYS HB3 H 2.372 -0.642 -1.153 1.00 . A A . 10 CYS HB3 1 1 2 545 1 1 10 CYS N N 3.799 1.324 0.702 1.00 . A A . 10 CYS N 1 1 2 546 1 1 10 CYS O O 4.756 -1.962 -0.078 1.00 . A A . 10 CYS O 1 1 2 547 1 1 10 CYS SG S 1.199 -1.708 0.600 1.00 . A A . 10 CYS SG 1 1 2 548 1 1 11 GLN C C 7.395 -1.401 -1.072 1.00 . A A . 11 GLN C 1 1 2 549 1 1 11 GLN CA C 6.326 -0.783 -1.985 1.00 . A A . 11 GLN CA 1 1 2 550 1 1 11 GLN CB C 6.953 0.133 -3.043 1.00 . A A . 11 GLN CB 1 1 2 551 1 1 11 GLN CD C 6.603 1.373 -5.219 1.00 . A A . 11 GLN CD 1 1 2 552 1 1 11 GLN CG C 5.957 0.495 -4.153 1.00 . A A . 11 GLN CG 1 1 2 553 1 1 11 GLN H H 5.034 0.852 -1.415 1.00 . A A . 11 GLN H 1 1 2 554 1 1 11 GLN HA H 5.857 -1.608 -2.531 1.00 . A A . 11 GLN HA 1 1 2 555 1 1 11 GLN HB3 H 7.788 -0.403 -3.498 1.00 . A A . 11 GLN HB3 1 1 2 556 1 1 11 GLN HE21 H 7.734 -0.174 -5.906 1.00 . A A . 11 GLN HE21 1 1 2 557 1 1 11 GLN HE22 H 7.932 1.359 -6.737 1.00 . A A . 11 GLN HE22 1 1 2 558 1 1 11 GLN HG3 H 5.110 1.029 -3.732 1.00 . A A . 11 GLN HG3 1 1 2 559 1 1 11 GLN N N 5.277 -0.114 -1.217 1.00 . A A . 11 GLN N 1 1 2 560 1 1 11 GLN NE2 N 7.503 0.803 -6.015 1.00 . A A . 11 GLN NE2 1 1 2 561 1 1 11 GLN O O 7.911 -2.471 -1.385 1.00 . A A . 11 GLN O 1 1 2 562 1 1 11 GLN OE1 O 6.305 2.558 -5.327 1.00 . A A . 11 GLN OE1 1 1 2 563 1 1 12 GLN C C 7.887 -2.451 1.854 1.00 . A A . 12 GLN C 1 1 2 564 1 1 12 GLN CA C 8.615 -1.374 1.031 1.00 . A A . 12 GLN CA 1 1 2 565 1 1 12 GLN CB C 9.310 -0.285 1.850 1.00 . A A . 12 GLN CB 1 1 2 566 1 1 12 GLN CD C 9.148 1.583 3.577 1.00 . A A . 12 GLN CD 1 1 2 567 1 1 12 GLN CG C 8.398 0.708 2.571 1.00 . A A . 12 GLN CG 1 1 2 568 1 1 12 GLN H H 7.358 0.127 0.327 1.00 . A A . 12 GLN H 1 1 2 569 1 1 12 GLN HA H 9.423 -1.880 0.520 1.00 . A A . 12 GLN HA 1 1 2 570 1 1 12 GLN HB3 H 10.006 0.267 1.216 1.00 . A A . 12 GLN HB3 1 1 2 571 1 1 12 GLN HE21 H 7.490 2.774 4.057 1.00 . A A . 12 GLN HE21 1 1 2 572 1 1 12 GLN HE22 H 8.991 3.116 4.867 1.00 . A A . 12 GLN HE22 1 1 2 573 1 1 12 GLN HG3 H 7.655 0.112 3.091 1.00 . A A . 12 GLN HG3 1 1 2 574 1 1 12 GLN N N 7.739 -0.766 0.055 1.00 . A A . 12 GLN N 1 1 2 575 1 1 12 GLN NE2 N 8.486 2.552 4.204 1.00 . A A . 12 GLN NE2 1 1 2 576 1 1 12 GLN O O 8.509 -3.411 2.300 1.00 . A A . 12 GLN O 1 1 2 577 1 1 12 GLN OE1 O 10.342 1.402 3.794 1.00 . A A . 12 GLN OE1 1 1 2 578 1 1 13 TYR C C 5.472 -4.571 2.066 1.00 . A A . 13 TYR C 1 1 2 579 1 1 13 TYR CA C 5.745 -3.246 2.807 1.00 . A A . 13 TYR CA 1 1 2 580 1 1 13 TYR CB C 4.419 -2.547 3.133 1.00 . A A . 13 TYR CB 1 1 2 581 1 1 13 TYR CD1 C 2.933 -4.154 4.415 1.00 . A A . 13 TYR CD1 1 1 2 582 1 1 13 TYR CD2 C 3.833 -2.210 5.571 1.00 . A A . 13 TYR CD2 1 1 2 583 1 1 13 TYR CE1 C 2.232 -4.518 5.579 1.00 . A A . 13 TYR CE1 1 1 2 584 1 1 13 TYR CE2 C 3.129 -2.571 6.732 1.00 . A A . 13 TYR CE2 1 1 2 585 1 1 13 TYR CG C 3.736 -3.000 4.410 1.00 . A A . 13 TYR CG 1 1 2 586 1 1 13 TYR CZ C 2.327 -3.725 6.734 1.00 . A A . 13 TYR CZ 1 1 2 587 1 1 13 TYR H H 6.122 -1.480 1.669 1.00 . A A . 13 TYR H 1 1 2 588 1 1 13 TYR HA H 6.259 -3.467 3.744 1.00 . A A . 13 TYR HA 1 1 2 589 1 1 13 TYR HB3 H 3.728 -2.690 2.302 1.00 . A A . 13 TYR HB3 1 1 2 590 1 1 13 TYR HD1 H 2.843 -4.760 3.528 1.00 . A A . 13 TYR HD1 1 1 2 591 1 1 13 TYR HD2 H 4.433 -1.311 5.570 1.00 . A A . 13 TYR HD2 1 1 2 592 1 1 13 TYR HE1 H 1.613 -5.403 5.582 1.00 . A A . 13 TYR HE1 1 1 2 593 1 1 13 TYR HE2 H 3.202 -1.950 7.612 1.00 . A A . 13 TYR HE2 1 1 2 594 1 1 13 TYR HH H 1.768 -3.467 8.581 1.00 . A A . 13 TYR HH 1 1 2 595 1 1 13 TYR N N 6.572 -2.310 2.044 1.00 . A A . 13 TYR N 1 1 2 596 1 1 13 TYR O O 5.339 -5.620 2.693 1.00 . A A . 13 TYR O 1 1 2 597 1 1 13 TYR OH O 1.638 -4.080 7.855 1.00 . A A . 13 TYR OH 1 1 2 598 1 1 14 CYS C C 5.448 -5.477 -1.461 1.00 . A A . 14 CYS C 1 1 2 599 1 1 14 CYS CA C 4.721 -5.523 -0.125 1.00 . A A . 14 CYS CA 1 1 2 600 1 1 14 CYS CB C 3.238 -5.206 -0.391 1.00 . A A . 14 CYS CB 1 1 2 601 1 1 14 CYS H H 5.518 -3.621 0.303 1.00 . A A . 14 CYS H 1 1 2 602 1 1 14 CYS HA H 4.815 -6.516 0.318 1.00 . A A . 14 CYS HA 1 1 2 603 1 1 14 CYS HB3 H 2.896 -5.664 -1.325 1.00 . A A . 14 CYS HB3 1 1 2 604 1 1 14 CYS N N 5.310 -4.506 0.744 1.00 . A A . 14 CYS N 1 1 2 605 1 1 14 CYS O O 5.693 -4.397 -1.990 1.00 . A A . 14 CYS O 1 1 2 606 1 1 14 CYS SG S 2.092 -5.771 0.890 1.00 . A A . 14 CYS SG 1 1 2 607 1 1 15 LEU C C 5.447 -6.100 -4.422 1.00 . A A . 15 LEU C 1 1 2 608 1 1 15 LEU CA C 6.364 -6.711 -3.357 1.00 . A A . 15 LEU CA 1 1 2 609 1 1 15 LEU CB C 6.721 -8.166 -3.711 1.00 . A A . 15 LEU CB 1 1 2 610 1 1 15 LEU CD1 C 9.262 -8.027 -3.527 1.00 . A A . 15 LEU CD1 1 1 2 611 1 1 15 LEU CD2 C 7.932 -8.688 -1.503 1.00 . A A . 15 LEU CD2 1 1 2 612 1 1 15 LEU CG C 7.988 -8.724 -3.034 1.00 . A A . 15 LEU CG 1 1 2 613 1 1 15 LEU H H 5.533 -7.502 -1.557 1.00 . A A . 15 LEU H 1 1 2 614 1 1 15 LEU HA H 7.274 -6.111 -3.343 1.00 . A A . 15 LEU HA 1 1 2 615 1 1 15 LEU HB3 H 6.883 -8.224 -4.788 1.00 . A A . 15 LEU HB3 1 1 2 616 1 1 15 LEU HD11 H 9.294 -8.034 -4.616 1.00 . A A . 15 LEU HD11 1 1 2 617 1 1 15 LEU HD12 H 9.309 -6.997 -3.172 1.00 . A A . 15 LEU HD12 1 1 2 618 1 1 15 LEU HD13 H 10.137 -8.560 -3.149 1.00 . A A . 15 LEU HD13 1 1 2 619 1 1 15 LEU HD21 H 7.014 -9.160 -1.151 1.00 . A A . 15 LEU HD21 1 1 2 620 1 1 15 LEU HD22 H 8.783 -9.236 -1.098 1.00 . A A . 15 LEU HD22 1 1 2 621 1 1 15 LEU HD23 H 7.982 -7.662 -1.140 1.00 . A A . 15 LEU HD23 1 1 2 622 1 1 15 LEU HG H 8.062 -9.771 -3.331 1.00 . A A . 15 LEU HG 1 1 2 623 1 1 15 LEU N N 5.737 -6.642 -2.044 1.00 . A A . 15 LEU N 1 1 2 624 1 1 15 LEU O O 5.927 -5.393 -5.303 1.00 . A A . 15 LEU O 1 1 2 625 1 1 16 THR C C 1.943 -5.261 -4.674 1.00 . A A . 16 THR C 1 1 2 626 1 1 16 THR CA C 3.168 -5.907 -5.341 1.00 . A A . 16 THR CA 1 1 2 627 1 1 16 THR CB C 2.766 -7.059 -6.275 1.00 . A A . 16 THR CB 1 1 2 628 1 1 16 THR CG2 C 2.018 -6.515 -7.495 1.00 . A A . 16 THR CG2 1 1 2 629 1 1 16 THR H H 3.807 -6.959 -3.597 1.00 . A A . 16 THR H 1 1 2 630 1 1 16 THR HA H 3.622 -5.137 -5.967 1.00 . A A . 16 THR HA 1 1 2 631 1 1 16 THR HB H 2.130 -7.770 -5.744 1.00 . A A . 16 THR HB 1 1 2 632 1 1 16 THR HG1 H 4.419 -8.048 -5.993 1.00 . A A . 16 THR HG1 1 1 2 633 1 1 16 THR HG21 H 1.147 -5.945 -7.177 1.00 . A A . 16 THR HG21 1 1 2 634 1 1 16 THR HG22 H 2.679 -5.862 -8.067 1.00 . A A . 16 THR HG22 1 1 2 635 1 1 16 THR HG23 H 1.700 -7.343 -8.126 1.00 . A A . 16 THR HG23 1 1 2 636 1 1 16 THR N N 4.139 -6.385 -4.357 1.00 . A A . 16 THR N 1 1 2 637 1 1 16 THR O O 0.876 -5.878 -4.588 1.00 . A A . 16 THR O 1 1 2 638 1 1 16 THR OG1 O 3.912 -7.739 -6.745 1.00 . A A . 16 THR OG1 1 1 2 639 1 1 17 PRO C C -0.143 -3.020 -4.662 1.00 . A A . 17 PRO C 1 1 2 640 1 1 17 PRO CA C 0.949 -3.312 -3.634 1.00 . A A . 17 PRO CA 1 1 2 641 1 1 17 PRO CB C 1.509 -2.075 -2.936 1.00 . A A . 17 PRO CB 1 1 2 642 1 1 17 PRO CD C 3.260 -3.431 -3.644 1.00 . A A . 17 PRO CD 1 1 2 643 1 1 17 PRO CG C 2.979 -2.002 -3.291 1.00 . A A . 17 PRO CG 1 1 2 644 1 1 17 PRO HA H 0.608 -3.968 -2.845 1.00 . A A . 17 PRO HA 1 1 2 645 1 1 17 PRO HB3 H 1.337 -2.202 -1.878 1.00 . A A . 17 PRO HB3 1 1 2 646 1 1 17 PRO HD3 H 3.312 -3.828 -2.660 1.00 . A A . 17 PRO HD3 1 1 2 647 1 1 17 PRO HG3 H 3.609 -1.713 -2.465 1.00 . A A . 17 PRO HG3 1 1 2 648 1 1 17 PRO N N 2.068 -4.015 -4.195 1.00 . A A . 17 PRO N 1 1 2 649 1 1 17 PRO O O 0.090 -3.050 -5.869 1.00 . A A . 17 PRO O 1 1 2 650 1 1 18 ASP C C -2.595 -0.838 -4.857 1.00 . A A . 18 ASP C 1 1 2 651 1 1 18 ASP CA C -2.511 -2.356 -4.917 1.00 . A A . 18 ASP CA 1 1 2 652 1 1 18 ASP CB C -3.772 -2.998 -4.325 1.00 . A A . 18 ASP CB 1 1 2 653 1 1 18 ASP CG C -4.948 -2.905 -5.282 1.00 . A A . 18 ASP CG 1 1 2 654 1 1 18 ASP H H -1.421 -2.690 -3.151 1.00 . A A . 18 ASP H 1 1 2 655 1 1 18 ASP HA H -2.394 -2.669 -5.952 1.00 . A A . 18 ASP HA 1 1 2 656 1 1 18 ASP HB3 H -4.041 -2.485 -3.413 1.00 . A A . 18 ASP HB3 1 1 2 657 1 1 18 ASP N N -1.345 -2.756 -4.155 1.00 . A A . 18 ASP N 1 1 2 658 1 1 18 ASP O O -2.504 -0.173 -5.887 1.00 . A A . 18 ASP O 1 1 2 659 1 1 18 ASP OD1 O -4.790 -3.437 -6.404 1.00 . A A . 18 ASP OD1 1 1 2 660 1 1 18 ASP OD2 O -5.969 -2.305 -4.893 1.00 . A A . 18 ASP OD2 1 1 2 661 1 1 19 ARG C C -2.472 1.497 -2.014 1.00 . A A . 19 ARG C 1 1 2 662 1 1 19 ARG CA C -2.845 1.138 -3.448 1.00 . A A . 19 ARG CA 1 1 2 663 1 1 19 ARG CB C -4.284 1.583 -3.716 1.00 . A A . 19 ARG CB 1 1 2 664 1 1 19 ARG CD C -6.758 1.099 -3.706 1.00 . A A . 19 ARG CD 1 1 2 665 1 1 19 ARG CG C -5.370 0.617 -3.259 1.00 . A A . 19 ARG CG 1 1 2 666 1 1 19 ARG CZ C -9.157 0.786 -3.152 1.00 . A A . 19 ARG CZ 1 1 2 667 1 1 19 ARG H H -2.926 -0.845 -2.815 1.00 . A A . 19 ARG H 1 1 2 668 1 1 19 ARG HA H -2.168 1.661 -4.126 1.00 . A A . 19 ARG HA 1 1 2 669 1 1 19 ARG HB3 H -4.415 1.849 -4.766 1.00 . A A . 19 ARG HB3 1 1 2 670 1 1 19 ARG HD3 H -6.874 0.755 -4.738 1.00 . A A . 19 ARG HD3 1 1 2 671 1 1 19 ARG HE H -7.599 -0.020 -2.095 1.00 . A A . 19 ARG HE 1 1 2 672 1 1 19 ARG HG3 H -5.243 0.495 -2.195 1.00 . A A . 19 ARG HG3 1 1 2 673 1 1 19 ARG HH11 H -8.759 1.724 -4.907 1.00 . A A . 19 ARG HH11 1 1 2 674 1 1 19 ARG HH12 H -10.449 1.616 -4.526 1.00 . A A . 19 ARG HH12 1 1 2 675 1 1 19 ARG HH21 H -9.927 0.039 -1.382 1.00 . A A . 19 ARG HH21 1 1 2 676 1 1 19 ARG HH22 H -11.098 0.510 -2.559 1.00 . A A . 19 ARG HH22 1 1 2 677 1 1 19 ARG N N -2.744 -0.285 -3.645 1.00 . A A . 19 ARG N 1 1 2 678 1 1 19 ARG NE N -7.856 0.567 -2.877 1.00 . A A . 19 ARG NE 1 1 2 679 1 1 19 ARG NH1 N -9.490 1.428 -4.277 1.00 . A A . 19 ARG NH1 1 1 2 680 1 1 19 ARG NH2 N -10.127 0.394 -2.316 1.00 . A A . 19 ARG NH2 1 1 2 681 1 1 19 ARG O O -2.758 0.743 -1.089 1.00 . A A . 19 ARG O 1 1 2 682 1 1 20 CYS C C -3.412 4.173 -0.676 1.00 . A A . 20 CYS C 1 1 2 683 1 1 20 CYS CA C -2.097 3.413 -0.564 1.00 . A A . 20 CYS CA 1 1 2 684 1 1 20 CYS CB C -0.932 4.368 -0.318 1.00 . A A . 20 CYS CB 1 1 2 685 1 1 20 CYS H H -1.833 3.273 -2.655 1.00 . A A . 20 CYS H 1 1 2 686 1 1 20 CYS HA H -2.136 2.717 0.268 1.00 . A A . 20 CYS HA 1 1 2 687 1 1 20 CYS HB3 H -0.875 5.083 -1.138 1.00 . A A . 20 CYS HB3 1 1 2 688 1 1 20 CYS N N -1.945 2.707 -1.829 1.00 . A A . 20 CYS N 1 1 2 689 1 1 20 CYS O O -3.540 5.042 -1.539 1.00 . A A . 20 CYS O 1 1 2 690 1 1 20 CYS SG S -1.094 5.285 1.232 1.00 . A A . 20 CYS SG 1 1 2 691 1 1 21 SER C C -6.565 3.984 1.183 1.00 . A A . 21 SER C 1 1 2 692 1 1 21 SER CA C -5.791 4.262 -0.101 1.00 . A A . 21 SER CA 1 1 2 693 1 1 21 SER CB C -6.405 3.556 -1.314 1.00 . A A . 21 SER CB 1 1 2 694 1 1 21 SER H H -4.323 3.014 0.740 1.00 . A A . 21 SER H 1 1 2 695 1 1 21 SER HA H -5.782 5.342 -0.262 1.00 . A A . 21 SER HA 1 1 2 696 1 1 21 SER HB3 H -7.486 3.574 -1.218 1.00 . A A . 21 SER HB3 1 1 2 697 1 1 21 SER HG H -5.156 4.634 -2.363 1.00 . A A . 21 SER HG 1 1 2 698 1 1 21 SER N N -4.437 3.775 0.075 1.00 . A A . 21 SER N 1 1 2 699 1 1 21 SER O O -6.288 2.993 1.847 1.00 . A A . 21 SER O 1 1 2 700 1 1 21 SER OG O -6.045 4.266 -2.483 1.00 . A A . 21 SER OG 1 1 2 701 1 1 22 TYR C C -7.164 4.650 4.007 1.00 . A A . 22 TYR C 1 1 2 702 1 1 22 TYR CA C -8.176 4.802 2.862 1.00 . A A . 22 TYR CA 1 1 2 703 1 1 22 TYR CB C -9.223 3.676 2.866 1.00 . A A . 22 TYR CB 1 1 2 704 1 1 22 TYR CD1 C -10.073 3.267 0.514 1.00 . A A . 22 TYR CD1 1 1 2 705 1 1 22 TYR CD2 C -11.521 4.416 2.097 1.00 . A A . 22 TYR CD2 1 1 2 706 1 1 22 TYR CE1 C -11.072 3.363 -0.469 1.00 . A A . 22 TYR CE1 1 1 2 707 1 1 22 TYR CE2 C -12.528 4.495 1.119 1.00 . A A . 22 TYR CE2 1 1 2 708 1 1 22 TYR CG C -10.293 3.794 1.798 1.00 . A A . 22 TYR CG 1 1 2 709 1 1 22 TYR CZ C -12.303 3.969 -0.164 1.00 . A A . 22 TYR CZ 1 1 2 710 1 1 22 TYR H H -7.686 5.661 0.975 1.00 . A A . 22 TYR H 1 1 2 711 1 1 22 TYR HA H -8.700 5.748 3.012 1.00 . A A . 22 TYR HA 1 1 2 712 1 1 22 TYR HB3 H -9.715 3.673 3.840 1.00 . A A . 22 TYR HB3 1 1 2 713 1 1 22 TYR HD1 H -9.138 2.787 0.277 1.00 . A A . 22 TYR HD1 1 1 2 714 1 1 22 TYR HD2 H -11.700 4.822 3.082 1.00 . A A . 22 TYR HD2 1 1 2 715 1 1 22 TYR HE1 H -10.896 2.989 -1.465 1.00 . A A . 22 TYR HE1 1 1 2 716 1 1 22 TYR HE2 H -13.472 4.961 1.364 1.00 . A A . 22 TYR HE2 1 1 2 717 1 1 22 TYR HH H -14.075 4.460 -0.811 1.00 . A A . 22 TYR HH 1 1 2 718 1 1 22 TYR N N -7.491 4.870 1.569 1.00 . A A . 22 TYR N 1 1 2 719 1 1 22 TYR O O -7.355 3.850 4.921 1.00 . A A . 22 TYR O 1 1 2 720 1 1 22 TYR OH O -13.275 4.028 -1.117 1.00 . A A . 22 TYR OH 1 1 2 721 1 1 23 GLY C C -4.388 3.939 5.128 1.00 . A A . 23 GLY C 1 1 2 722 1 1 23 GLY CA C -4.962 5.344 4.894 1.00 . A A . 23 GLY CA 1 1 2 723 1 1 23 GLY H H -5.959 6.025 3.147 1.00 . A A . 23 GLY H 1 1 2 724 1 1 23 GLY HA2 H -4.161 5.987 4.529 1.00 . A A . 23 GLY HA2 1 1 2 725 1 1 23 GLY HA3 H -5.328 5.742 5.839 1.00 . A A . 23 GLY HA3 1 1 2 726 1 1 23 GLY N N -6.050 5.388 3.924 1.00 . A A . 23 GLY N 1 1 2 727 1 1 23 GLY O O -3.726 3.706 6.141 1.00 . A A . 23 GLY O 1 1 2 728 1 1 24 THR C C -3.444 1.285 3.044 1.00 . A A . 24 THR C 1 1 2 729 1 1 24 THR CA C -4.303 1.609 4.263 1.00 . A A . 24 THR CA 1 1 2 730 1 1 24 THR CB C -5.615 0.806 4.254 1.00 . A A . 24 THR CB 1 1 2 731 1 1 24 THR CG2 C -5.393 -0.702 4.390 1.00 . A A . 24 THR CG2 1 1 2 732 1 1 24 THR H H -5.120 3.298 3.354 1.00 . A A . 24 THR H 1 1 2 733 1 1 24 THR HA H -3.756 1.389 5.176 1.00 . A A . 24 THR HA 1 1 2 734 1 1 24 THR HB H -6.141 0.982 3.316 1.00 . A A . 24 THR HB 1 1 2 735 1 1 24 THR HG1 H -6.681 2.161 5.185 1.00 . A A . 24 THR HG1 1 1 2 736 1 1 24 THR HG21 H -4.791 -1.081 3.565 1.00 . A A . 24 THR HG21 1 1 2 737 1 1 24 THR HG22 H -4.897 -0.924 5.335 1.00 . A A . 24 THR HG22 1 1 2 738 1 1 24 THR HG23 H -6.359 -1.208 4.377 1.00 . A A . 24 THR HG23 1 1 2 739 1 1 24 THR N N -4.627 3.021 4.192 1.00 . A A . 24 THR N 1 1 2 740 1 1 24 THR O O -3.753 1.748 1.945 1.00 . A A . 24 THR O 1 1 2 741 1 1 24 THR OG1 O -6.441 1.234 5.318 1.00 . A A . 24 THR OG1 1 1 2 742 1 1 25 CYS C C -2.080 -1.300 1.643 1.00 . A A . 25 CYS C 1 1 2 743 1 1 25 CYS CA C -1.548 0.068 2.099 1.00 . A A . 25 CYS CA 1 1 2 744 1 1 25 CYS CB C -0.046 0.235 2.400 1.00 . A A . 25 CYS CB 1 1 2 745 1 1 25 CYS H H -2.173 0.133 4.135 1.00 . A A . 25 CYS H 1 1 2 746 1 1 25 CYS HA H -1.697 0.745 1.261 1.00 . A A . 25 CYS HA 1 1 2 747 1 1 25 CYS HB3 H 0.076 0.848 3.291 1.00 . A A . 25 CYS HB3 1 1 2 748 1 1 25 CYS N N -2.366 0.517 3.220 1.00 . A A . 25 CYS N 1 1 2 749 1 1 25 CYS O O -1.712 -2.359 2.141 1.00 . A A . 25 CYS O 1 1 2 750 1 1 25 CYS SG S 1.021 -1.188 2.591 1.00 . A A . 25 CYS SG 1 1 2 751 1 1 26 TYR C C -2.607 -3.089 -0.758 1.00 . A A . 26 TYR C 1 1 2 752 1 1 26 TYR CA C -3.666 -2.403 0.095 1.00 . A A . 26 TYR CA 1 1 2 753 1 1 26 TYR CB C -4.764 -1.920 -0.860 1.00 . A A . 26 TYR CB 1 1 2 754 1 1 26 TYR CD1 C -6.252 -0.303 0.410 1.00 . A A . 26 TYR CD1 1 1 2 755 1 1 26 TYR CD2 C -7.221 -2.331 -0.518 1.00 . A A . 26 TYR CD2 1 1 2 756 1 1 26 TYR CE1 C -7.539 0.140 0.760 1.00 . A A . 26 TYR CE1 1 1 2 757 1 1 26 TYR CE2 C -8.505 -1.858 -0.216 1.00 . A A . 26 TYR CE2 1 1 2 758 1 1 26 TYR CG C -6.092 -1.536 -0.245 1.00 . A A . 26 TYR CG 1 1 2 759 1 1 26 TYR CZ C -8.664 -0.631 0.440 1.00 . A A . 26 TYR CZ 1 1 2 760 1 1 26 TYR H H -3.244 -0.342 0.319 1.00 . A A . 26 TYR H 1 1 2 761 1 1 26 TYR HA H -4.075 -3.090 0.838 1.00 . A A . 26 TYR HA 1 1 2 762 1 1 26 TYR HB3 H -4.988 -2.722 -1.552 1.00 . A A . 26 TYR HB3 1 1 2 763 1 1 26 TYR HD1 H -5.401 0.340 0.578 1.00 . A A . 26 TYR HD1 1 1 2 764 1 1 26 TYR HD2 H -7.118 -3.270 -1.044 1.00 . A A . 26 TYR HD2 1 1 2 765 1 1 26 TYR HE1 H -7.666 1.103 1.224 1.00 . A A . 26 TYR HE1 1 1 2 766 1 1 26 TYR HE2 H -9.371 -2.437 -0.506 1.00 . A A . 26 TYR HE2 1 1 2 767 1 1 26 TYR HH H -9.996 0.640 1.065 1.00 . A A . 26 TYR HH 1 1 2 768 1 1 26 TYR N N -3.060 -1.248 0.738 1.00 . A A . 26 TYR N 1 1 2 769 1 1 26 TYR O O -1.899 -2.383 -1.480 1.00 . A A . 26 TYR O 1 1 2 770 1 1 26 TYR OH O -9.888 -0.033 0.385 1.00 . A A . 26 TYR OH 1 1 2 771 1 1 27 CYS C C -2.420 -6.207 -2.438 1.00 . A A . 27 CYS C 1 1 2 772 1 1 27 CYS CA C -1.651 -5.211 -1.586 1.00 . A A . 27 CYS CA 1 1 2 773 1 1 27 CYS CB C -0.536 -5.896 -0.782 1.00 . A A . 27 CYS CB 1 1 2 774 1 1 27 CYS H H -3.161 -4.960 -0.146 1.00 . A A . 27 CYS H 1 1 2 775 1 1 27 CYS HA H -1.211 -4.535 -2.292 1.00 . A A . 27 CYS HA 1 1 2 776 1 1 27 CYS HB3 H 0.218 -6.243 -1.484 1.00 . A A . 27 CYS HB3 1 1 2 777 1 1 27 CYS N N -2.541 -4.430 -0.736 1.00 . A A . 27 CYS N 1 1 2 778 1 1 27 CYS O O -3.483 -6.677 -2.032 1.00 . A A . 27 CYS O 1 1 2 779 1 1 27 CYS SG S 0.309 -4.822 0.395 1.00 . A A . 27 CYS SG 1 1 2 780 1 1 28 LYS C C -2.227 -8.911 -4.003 1.00 . A A . 28 LYS C 1 1 2 781 1 1 28 LYS CA C -2.498 -7.499 -4.526 1.00 . A A . 28 LYS CA 1 1 2 782 1 1 28 LYS CB C -1.982 -7.297 -5.959 1.00 . A A . 28 LYS CB 1 1 2 783 1 1 28 LYS CD C -1.953 -5.814 -7.985 1.00 . A A . 28 LYS CD 1 1 2 784 1 1 28 LYS CE C -1.950 -4.376 -8.524 1.00 . A A . 28 LYS CE 1 1 2 785 1 1 28 LYS CG C -2.273 -5.884 -6.484 1.00 . A A . 28 LYS CG 1 1 2 786 1 1 28 LYS H H -0.964 -6.190 -3.872 1.00 . A A . 28 LYS H 1 1 2 787 1 1 28 LYS HA H -3.579 -7.344 -4.541 1.00 . A A . 28 LYS HA 1 1 2 788 1 1 28 LYS HB3 H -2.478 -8.025 -6.604 1.00 . A A . 28 LYS HB3 1 1 2 789 1 1 28 LYS HD3 H -2.665 -6.429 -8.541 1.00 . A A . 28 LYS HD3 1 1 2 790 1 1 28 LYS HE3 H -1.607 -4.389 -9.559 1.00 . A A . 28 LYS HE3 1 1 2 791 1 1 28 LYS HG3 H -1.649 -5.172 -5.940 1.00 . A A . 28 LYS HG3 1 1 2 792 1 1 28 LYS HZ1 H -3.241 -2.781 -8.769 1.00 . A A . 28 LYS HZ1 1 1 2 793 1 1 28 LYS HZ2 H -3.954 -4.240 -9.043 1.00 . A A . 28 LYS HZ2 1 1 2 794 1 1 28 LYS HZ3 H -3.656 -3.740 -7.526 1.00 . A A . 28 LYS HZ3 1 1 2 795 1 1 28 LYS N N -1.882 -6.540 -3.619 1.00 . A A . 28 LYS N 1 1 2 796 1 1 28 LYS NZ N -3.284 -3.745 -8.475 1.00 . A A . 28 LYS NZ 1 1 2 797 1 1 28 LYS O O -1.470 -9.684 -4.589 1.00 . A A . 28 LYS O 1 1 2 798 1 1 29 THR C C -3.926 -10.761 -1.356 1.00 . A A . 29 THR C 1 1 2 799 1 1 29 THR CA C -2.659 -10.511 -2.176 1.00 . A A . 29 THR CA 1 1 2 800 1 1 29 THR CB C -1.368 -10.508 -1.334 1.00 . A A . 29 THR CB 1 1 2 801 1 1 29 THR CG2 C -0.954 -11.924 -0.925 1.00 . A A . 29 THR CG2 1 1 2 802 1 1 29 THR H H -3.346 -8.498 -2.393 1.00 . A A . 29 THR H 1 1 2 803 1 1 29 THR HA H -2.588 -11.301 -2.925 1.00 . A A . 29 THR HA 1 1 2 804 1 1 29 THR HB H -1.515 -9.905 -0.436 1.00 . A A . 29 THR HB 1 1 2 805 1 1 29 THR HG1 H -0.441 -10.130 -3.011 1.00 . A A . 29 THR HG1 1 1 2 806 1 1 29 THR HG21 H -1.727 -12.390 -0.315 1.00 . A A . 29 THR HG21 1 1 2 807 1 1 29 THR HG22 H -0.779 -12.536 -1.812 1.00 . A A . 29 THR HG22 1 1 2 808 1 1 29 THR HG23 H -0.032 -11.875 -0.343 1.00 . A A . 29 THR HG23 1 1 2 809 1 1 29 THR N N -2.812 -9.230 -2.852 1.00 . A A . 29 THR N 1 1 2 810 1 1 29 THR O O -3.880 -10.975 -0.147 1.00 . A A . 29 THR O 1 1 2 811 1 1 29 THR OG1 O -0.300 -9.943 -2.073 1.00 . A A . 29 THR OG1 1 1 2 812 1 1 30 THR C C -6.758 -12.163 -0.974 1.00 . A A . 30 THR C 1 1 2 813 1 1 30 THR CA C -6.404 -10.742 -1.436 1.00 . A A . 30 THR CA 1 1 2 814 1 1 30 THR CB C -7.387 -10.193 -2.484 1.00 . A A . 30 THR CB 1 1 2 815 1 1 30 THR CG2 C -8.696 -9.706 -1.854 1.00 . A A . 30 THR CG2 1 1 2 816 1 1 30 THR H H -5.055 -10.430 -3.006 1.00 . A A . 30 THR H 1 1 2 817 1 1 30 THR HA H -6.415 -10.080 -0.568 1.00 . A A . 30 THR HA 1 1 2 818 1 1 30 THR HB H -7.612 -10.967 -3.221 1.00 . A A . 30 THR HB 1 1 2 819 1 1 30 THR HG1 H -6.600 -8.407 -2.551 1.00 . A A . 30 THR HG1 1 1 2 820 1 1 30 THR HG21 H -9.201 -10.534 -1.356 1.00 . A A . 30 THR HG21 1 1 2 821 1 1 30 THR HG22 H -8.499 -8.917 -1.129 1.00 . A A . 30 THR HG22 1 1 2 822 1 1 30 THR HG23 H -9.350 -9.317 -2.635 1.00 . A A . 30 THR HG23 1 1 2 823 1 1 30 THR N N -5.076 -10.692 -2.030 1.00 . A A . 30 THR N 1 1 2 824 1 1 30 THR O O -7.689 -12.781 -1.482 1.00 . A A . 30 THR O 1 1 2 825 1 1 30 THR OG1 O -6.773 -9.118 -3.175 1.00 . A A . 30 THR OG1 1 1 2 826 1 1 31 NH2 HN1 H -5.231 -12.167 0.359 1.00 . A A . 31 NH2 HN1 1 1 2 827 1 1 31 NH2 HN2 H -6.223 -13.624 0.328 1.00 . A A . 31 NH2 HN2 1 1 2 828 1 1 31 NH2 N N -6.019 -12.694 -0.003 1.00 . A A . 31 NH2 N 1 1 3 829 1 1 1 PCA C C -2.349 8.389 10.157 1.00 . A A . 1 PCA C 1 1 3 830 1 1 1 PCA CA C -1.717 9.184 11.297 1.00 . A A . 1 PCA CA 1 1 3 831 1 1 1 PCA CB C -2.706 10.147 11.972 1.00 . A A . 1 PCA CB 1 1 3 832 1 1 1 PCA CD C -1.162 11.283 10.533 1.00 . A A . 1 PCA CD 1 1 3 833 1 1 1 PCA CG C -2.565 11.399 11.104 1.00 . A A . 1 PCA CG 1 1 3 834 1 1 1 PCA HA H -1.287 8.501 12.032 1.00 . A A . 1 PCA HA 1 1 3 835 1 1 1 PCA HB2 H -2.343 10.375 12.976 1.00 . A A . 1 PCA HB2 1 1 3 836 1 1 1 PCA HB3 H -3.728 9.776 12.025 1.00 . A A . 1 PCA HB3 1 1 3 837 1 1 1 PCA HG2 H -3.287 11.378 10.287 1.00 . A A . 1 PCA HG2 1 1 3 838 1 1 1 PCA HG3 H -2.687 12.307 11.695 1.00 . A A . 1 PCA HG3 1 1 3 839 1 1 1 PCA N N -0.699 10.048 10.725 1.00 . A A . 1 PCA N 1 1 3 840 1 1 1 PCA O O -3.528 8.545 9.855 1.00 . A A . 1 PCA O 1 1 3 841 1 1 1 PCA OE O -0.567 12.236 10.065 1.00 . A A . 1 PCA OE 1 1 3 842 1 1 2 THR C C -0.829 5.645 8.368 1.00 . A A . 2 THR C 1 1 3 843 1 1 2 THR CA C -1.867 6.767 8.339 1.00 . A A . 2 THR CA 1 1 3 844 1 1 2 THR CB C -1.737 7.605 7.052 1.00 . A A . 2 THR CB 1 1 3 845 1 1 2 THR CG2 C -2.865 8.624 6.881 1.00 . A A . 2 THR CG2 1 1 3 846 1 1 2 THR H H -0.598 7.361 9.799 1.00 . A A . 2 THR H 1 1 3 847 1 1 2 THR HA H -2.871 6.348 8.430 1.00 . A A . 2 THR HA 1 1 3 848 1 1 2 THR HB H -1.765 6.930 6.197 1.00 . A A . 2 THR HB 1 1 3 849 1 1 2 THR HG1 H -0.460 8.850 7.836 1.00 . A A . 2 THR HG1 1 1 3 850 1 1 2 THR HG21 H -2.752 9.448 7.583 1.00 . A A . 2 THR HG21 1 1 3 851 1 1 2 THR HG22 H -2.831 9.029 5.869 1.00 . A A . 2 THR HG22 1 1 3 852 1 1 2 THR HG23 H -3.831 8.147 7.045 1.00 . A A . 2 THR HG23 1 1 3 853 1 1 2 THR N N -1.540 7.566 9.491 1.00 . A A . 2 THR N 1 1 3 854 1 1 2 THR O O 0.218 5.783 8.998 1.00 . A A . 2 THR O 1 1 3 855 1 1 2 THR OG1 O -0.509 8.305 7.047 1.00 . A A . 2 THR OG1 1 1 3 856 1 1 3 GLN C C 0.938 3.964 6.526 1.00 . A A . 3 GLN C 1 1 3 857 1 1 3 GLN CA C -0.162 3.474 7.463 1.00 . A A . 3 GLN CA 1 1 3 858 1 1 3 GLN CB C -0.846 2.274 6.804 1.00 . A A . 3 GLN CB 1 1 3 859 1 1 3 GLN CD C -2.488 0.405 7.116 1.00 . A A . 3 GLN CD 1 1 3 860 1 1 3 GLN CG C -1.879 1.611 7.712 1.00 . A A . 3 GLN CG 1 1 3 861 1 1 3 GLN H H -2.022 4.539 7.237 1.00 . A A . 3 GLN H 1 1 3 862 1 1 3 GLN HA H 0.286 3.159 8.407 1.00 . A A . 3 GLN HA 1 1 3 863 1 1 3 GLN HB3 H -0.082 1.537 6.552 1.00 . A A . 3 GLN HB3 1 1 3 864 1 1 3 GLN HE21 H -3.465 0.202 8.895 1.00 . A A . 3 GLN HE21 1 1 3 865 1 1 3 GLN HE22 H -3.600 -1.056 7.719 1.00 . A A . 3 GLN HE22 1 1 3 866 1 1 3 GLN HG3 H -2.756 2.208 7.929 1.00 . A A . 3 GLN HG3 1 1 3 867 1 1 3 GLN N N -1.127 4.539 7.701 1.00 . A A . 3 GLN N 1 1 3 868 1 1 3 GLN NE2 N -3.289 -0.178 7.978 1.00 . A A . 3 GLN NE2 1 1 3 869 1 1 3 GLN O O 2.100 3.598 6.678 1.00 . A A . 3 GLN O 1 1 3 870 1 1 3 GLN OE1 O -2.251 0.006 5.978 1.00 . A A . 3 GLN OE1 1 1 3 871 1 1 4 CYS C C 1.015 6.505 3.924 1.00 . A A . 4 CYS C 1 1 3 872 1 1 4 CYS CA C 1.359 5.100 4.376 1.00 . A A . 4 CYS CA 1 1 3 873 1 1 4 CYS CB C 1.084 4.159 3.206 1.00 . A A . 4 CYS CB 1 1 3 874 1 1 4 CYS H H -0.428 5.031 5.469 1.00 . A A . 4 CYS H 1 1 3 875 1 1 4 CYS HA H 2.417 5.055 4.636 1.00 . A A . 4 CYS HA 1 1 3 876 1 1 4 CYS HB3 H 1.434 3.169 3.460 1.00 . A A . 4 CYS HB3 1 1 3 877 1 1 4 CYS N N 0.536 4.730 5.510 1.00 . A A . 4 CYS N 1 1 3 878 1 1 4 CYS O O -0.081 7.003 4.181 1.00 . A A . 4 CYS O 1 1 3 879 1 1 4 CYS SG S -0.646 4.089 2.674 1.00 . A A . 4 CYS SG 1 1 3 880 1 1 5 GLN C C 1.739 8.192 1.015 1.00 . A A . 5 GLN C 1 1 3 881 1 1 5 GLN CA C 1.830 8.377 2.533 1.00 . A A . 5 GLN CA 1 1 3 882 1 1 5 GLN CB C 3.028 9.259 2.904 1.00 . A A . 5 GLN CB 1 1 3 883 1 1 5 GLN CD C 4.207 10.472 4.792 1.00 . A A . 5 GLN CD 1 1 3 884 1 1 5 GLN CG C 3.120 9.469 4.422 1.00 . A A . 5 GLN CG 1 1 3 885 1 1 5 GLN H H 2.797 6.546 2.994 1.00 . A A . 5 GLN H 1 1 3 886 1 1 5 GLN HA H 0.921 8.883 2.862 1.00 . A A . 5 GLN HA 1 1 3 887 1 1 5 GLN HB3 H 2.911 10.223 2.409 1.00 . A A . 5 GLN HB3 1 1 3 888 1 1 5 GLN HE21 H 3.198 12.004 3.908 1.00 . A A . 5 GLN HE21 1 1 3 889 1 1 5 GLN HE22 H 4.734 12.411 4.656 1.00 . A A . 5 GLN HE22 1 1 3 890 1 1 5 GLN HG3 H 3.348 8.520 4.911 1.00 . A A . 5 GLN HG3 1 1 3 891 1 1 5 GLN N N 1.955 7.092 3.194 1.00 . A A . 5 GLN N 1 1 3 892 1 1 5 GLN NE2 N 4.025 11.736 4.416 1.00 . A A . 5 GLN NE2 1 1 3 893 1 1 5 GLN O O 1.211 9.067 0.330 1.00 . A A . 5 GLN O 1 1 3 894 1 1 5 GLN OE1 O 5.204 10.127 5.415 1.00 . A A . 5 GLN OE1 1 1 3 895 1 1 6 SER C C 2.567 5.393 -1.234 1.00 . A A . 6 SER C 1 1 3 896 1 1 6 SER CA C 2.317 6.875 -0.983 1.00 . A A . 6 SER CA 1 1 3 897 1 1 6 SER CB C 3.444 7.714 -1.598 1.00 . A A . 6 SER CB 1 1 3 898 1 1 6 SER H H 2.734 6.391 1.046 1.00 . A A . 6 SER H 1 1 3 899 1 1 6 SER HA H 1.362 7.146 -1.436 1.00 . A A . 6 SER HA 1 1 3 900 1 1 6 SER HB3 H 3.688 7.337 -2.590 1.00 . A A . 6 SER HB3 1 1 3 901 1 1 6 SER HG H 2.441 9.287 -1.015 1.00 . A A . 6 SER HG 1 1 3 902 1 1 6 SER N N 2.269 7.098 0.458 1.00 . A A . 6 SER N 1 1 3 903 1 1 6 SER O O 3.108 4.711 -0.377 1.00 . A A . 6 SER O 1 1 3 904 1 1 6 SER OG O 3.050 9.064 -1.733 1.00 . A A . 6 SER OG 1 1 3 905 1 1 7 VAL C C 3.666 2.857 -2.385 1.00 . A A . 7 VAL C 1 1 3 906 1 1 7 VAL CA C 2.286 3.455 -2.708 1.00 . A A . 7 VAL CA 1 1 3 907 1 1 7 VAL CB C 1.859 3.266 -4.171 1.00 . A A . 7 VAL CB 1 1 3 908 1 1 7 VAL CG1 C 2.871 3.832 -5.177 1.00 . A A . 7 VAL CG1 1 1 3 909 1 1 7 VAL CG2 C 1.599 1.793 -4.446 1.00 . A A . 7 VAL CG2 1 1 3 910 1 1 7 VAL H H 1.718 5.425 -3.097 1.00 . A A . 7 VAL H 1 1 3 911 1 1 7 VAL HA H 1.557 2.954 -2.062 1.00 . A A . 7 VAL HA 1 1 3 912 1 1 7 VAL HB H 0.911 3.787 -4.319 1.00 . A A . 7 VAL HB 1 1 3 913 1 1 7 VAL HG11 H 3.810 3.279 -5.132 1.00 . A A . 7 VAL HG11 1 1 3 914 1 1 7 VAL HG12 H 2.466 3.742 -6.186 1.00 . A A . 7 VAL HG12 1 1 3 915 1 1 7 VAL HG13 H 3.064 4.886 -4.973 1.00 . A A . 7 VAL HG13 1 1 3 916 1 1 7 VAL HG21 H 1.191 1.683 -5.449 1.00 . A A . 7 VAL HG21 1 1 3 917 1 1 7 VAL HG22 H 2.529 1.233 -4.361 1.00 . A A . 7 VAL HG22 1 1 3 918 1 1 7 VAL HG23 H 0.879 1.431 -3.716 1.00 . A A . 7 VAL HG23 1 1 3 919 1 1 7 VAL N N 2.192 4.871 -2.405 1.00 . A A . 7 VAL N 1 1 3 920 1 1 7 VAL O O 3.742 1.705 -1.968 1.00 . A A . 7 VAL O 1 1 3 921 1 1 8 ARG C C 6.153 2.649 -0.716 1.00 . A A . 8 ARG C 1 1 3 922 1 1 8 ARG CA C 6.100 3.270 -2.119 1.00 . A A . 8 ARG CA 1 1 3 923 1 1 8 ARG CB C 7.025 4.492 -2.180 1.00 . A A . 8 ARG CB 1 1 3 924 1 1 8 ARG CD C 8.328 6.063 -3.645 1.00 . A A . 8 ARG CD 1 1 3 925 1 1 8 ARG CG C 7.240 4.980 -3.619 1.00 . A A . 8 ARG CG 1 1 3 926 1 1 8 ARG CZ C 7.975 7.396 -5.740 1.00 . A A . 8 ARG CZ 1 1 3 927 1 1 8 ARG H H 4.589 4.565 -2.886 1.00 . A A . 8 ARG H 1 1 3 928 1 1 8 ARG HA H 6.473 2.528 -2.819 1.00 . A A . 8 ARG HA 1 1 3 929 1 1 8 ARG HB3 H 7.991 4.196 -1.768 1.00 . A A . 8 ARG HB3 1 1 3 930 1 1 8 ARG HD3 H 9.237 5.640 -3.213 1.00 . A A . 8 ARG HD3 1 1 3 931 1 1 8 ARG HE H 9.456 6.037 -5.432 1.00 . A A . 8 ARG HE 1 1 3 932 1 1 8 ARG HG3 H 6.305 5.366 -4.025 1.00 . A A . 8 ARG HG3 1 1 3 933 1 1 8 ARG HH11 H 6.593 7.738 -4.296 1.00 . A A . 8 ARG HH11 1 1 3 934 1 1 8 ARG HH12 H 6.373 8.691 -5.731 1.00 . A A . 8 ARG HH12 1 1 3 935 1 1 8 ARG HH21 H 9.204 7.264 -7.370 1.00 . A A . 8 ARG HH21 1 1 3 936 1 1 8 ARG HH22 H 7.900 8.392 -7.533 1.00 . A A . 8 ARG HH22 1 1 3 937 1 1 8 ARG N N 4.743 3.640 -2.525 1.00 . A A . 8 ARG N 1 1 3 938 1 1 8 ARG NE N 8.647 6.483 -5.020 1.00 . A A . 8 ARG NE 1 1 3 939 1 1 8 ARG NH1 N 6.894 7.992 -5.224 1.00 . A A . 8 ARG NH1 1 1 3 940 1 1 8 ARG NH2 N 8.389 7.709 -6.974 1.00 . A A . 8 ARG NH2 1 1 3 941 1 1 8 ARG O O 6.849 1.657 -0.503 1.00 . A A . 8 ARG O 1 1 3 942 1 1 9 ASP C C 4.783 1.241 1.462 1.00 . A A . 9 ASP C 1 1 3 943 1 1 9 ASP CA C 5.268 2.686 1.573 1.00 . A A . 9 ASP CA 1 1 3 944 1 1 9 ASP CB C 4.257 3.584 2.292 1.00 . A A . 9 ASP CB 1 1 3 945 1 1 9 ASP CG C 4.783 4.989 2.534 1.00 . A A . 9 ASP CG 1 1 3 946 1 1 9 ASP H H 4.789 3.992 0.029 1.00 . A A . 9 ASP H 1 1 3 947 1 1 9 ASP HA H 6.226 2.709 2.095 1.00 . A A . 9 ASP HA 1 1 3 948 1 1 9 ASP HB3 H 3.915 3.170 3.225 1.00 . A A . 9 ASP HB3 1 1 3 949 1 1 9 ASP N N 5.411 3.218 0.235 1.00 . A A . 9 ASP N 1 1 3 950 1 1 9 ASP O O 5.411 0.308 1.971 1.00 . A A . 9 ASP O 1 1 3 951 1 1 9 ASP OD1 O 5.867 5.111 3.136 1.00 . A A . 9 ASP OD1 1 1 3 952 1 1 9 ASP OD2 O 4.069 5.921 2.105 1.00 . A A . 9 ASP OD2 1 1 3 953 1 1 10 CYS C C 4.315 -1.160 -0.242 1.00 . A A . 10 CYS C 1 1 3 954 1 1 10 CYS CA C 3.263 -0.339 0.489 1.00 . A A . 10 CYS CA 1 1 3 955 1 1 10 CYS CB C 1.903 -0.514 -0.199 1.00 . A A . 10 CYS CB 1 1 3 956 1 1 10 CYS H H 3.287 1.787 0.191 1.00 . A A . 10 CYS H 1 1 3 957 1 1 10 CYS HA H 3.192 -0.785 1.476 1.00 . A A . 10 CYS HA 1 1 3 958 1 1 10 CYS HB3 H 2.156 -0.860 -1.162 1.00 . A A . 10 CYS HB3 1 1 3 959 1 1 10 CYS N N 3.693 1.027 0.718 1.00 . A A . 10 CYS N 1 1 3 960 1 1 10 CYS O O 4.420 -2.342 0.038 1.00 . A A . 10 CYS O 1 1 3 961 1 1 10 CYS SG S 0.827 -1.721 0.621 1.00 . A A . 10 CYS SG 1 1 3 962 1 1 11 GLN C C 7.102 -1.960 -0.923 1.00 . A A . 11 GLN C 1 1 3 963 1 1 11 GLN CA C 6.089 -1.360 -1.902 1.00 . A A . 11 GLN CA 1 1 3 964 1 1 11 GLN CB C 6.779 -0.535 -2.995 1.00 . A A . 11 GLN CB 1 1 3 965 1 1 11 GLN CD C 6.486 0.723 -5.171 1.00 . A A . 11 GLN CD 1 1 3 966 1 1 11 GLN CG C 5.808 -0.143 -4.117 1.00 . A A . 11 GLN CG 1 1 3 967 1 1 11 GLN H H 4.916 0.382 -1.412 1.00 . A A . 11 GLN H 1 1 3 968 1 1 11 GLN HA H 5.596 -2.197 -2.404 1.00 . A A . 11 GLN HA 1 1 3 969 1 1 11 GLN HB3 H 7.573 -1.147 -3.427 1.00 . A A . 11 GLN HB3 1 1 3 970 1 1 11 GLN HE21 H 7.684 -0.811 -5.764 1.00 . A A . 11 GLN HE21 1 1 3 971 1 1 11 GLN HE22 H 7.894 0.708 -6.616 1.00 . A A . 11 GLN HE22 1 1 3 972 1 1 11 GLN HG3 H 4.968 0.411 -3.706 1.00 . A A . 11 GLN HG3 1 1 3 973 1 1 11 GLN N N 5.068 -0.595 -1.189 1.00 . A A . 11 GLN N 1 1 3 974 1 1 11 GLN NE2 N 7.434 0.155 -5.910 1.00 . A A . 11 GLN NE2 1 1 3 975 1 1 11 GLN O O 7.539 -3.092 -1.116 1.00 . A A . 11 GLN O 1 1 3 976 1 1 11 GLN OE1 O 6.166 1.898 -5.324 1.00 . A A . 11 GLN OE1 1 1 3 977 1 1 12 GLN C C 7.585 -2.870 1.975 1.00 . A A . 12 GLN C 1 1 3 978 1 1 12 GLN CA C 8.330 -1.802 1.161 1.00 . A A . 12 GLN CA 1 1 3 979 1 1 12 GLN CB C 8.946 -0.651 1.973 1.00 . A A . 12 GLN CB 1 1 3 980 1 1 12 GLN CD C 8.924 -0.803 4.533 1.00 . A A . 12 GLN CD 1 1 3 981 1 1 12 GLN CG C 8.226 -0.280 3.275 1.00 . A A . 12 GLN CG 1 1 3 982 1 1 12 GLN H H 7.161 -0.289 0.302 1.00 . A A . 12 GLN H 1 1 3 983 1 1 12 GLN HA H 9.162 -2.298 0.664 1.00 . A A . 12 GLN HA 1 1 3 984 1 1 12 GLN HB3 H 8.987 0.240 1.343 1.00 . A A . 12 GLN HB3 1 1 3 985 1 1 12 GLN HE21 H 8.872 -2.774 3.932 1.00 . A A . 12 GLN HE21 1 1 3 986 1 1 12 GLN HE22 H 9.604 -2.437 5.485 1.00 . A A . 12 GLN HE22 1 1 3 987 1 1 12 GLN HG3 H 7.203 -0.629 3.240 1.00 . A A . 12 GLN HG3 1 1 3 988 1 1 12 GLN N N 7.475 -1.239 0.140 1.00 . A A . 12 GLN N 1 1 3 989 1 1 12 GLN NE2 N 9.145 -2.111 4.649 1.00 . A A . 12 GLN NE2 1 1 3 990 1 1 12 GLN O O 8.214 -3.763 2.539 1.00 . A A . 12 GLN O 1 1 3 991 1 1 12 GLN OE1 O 9.277 -0.027 5.414 1.00 . A A . 12 GLN OE1 1 1 3 992 1 1 13 TYR C C 5.077 -4.963 2.158 1.00 . A A . 13 TYR C 1 1 3 993 1 1 13 TYR CA C 5.411 -3.644 2.878 1.00 . A A . 13 TYR CA 1 1 3 994 1 1 13 TYR CB C 4.117 -2.895 3.220 1.00 . A A . 13 TYR CB 1 1 3 995 1 1 13 TYR CD1 C 3.775 -2.692 5.719 1.00 . A A . 13 TYR CD1 1 1 3 996 1 1 13 TYR CD2 C 2.456 -4.325 4.492 1.00 . A A . 13 TYR CD2 1 1 3 997 1 1 13 TYR CE1 C 3.112 -3.046 6.906 1.00 . A A . 13 TYR CE1 1 1 3 998 1 1 13 TYR CE2 C 1.792 -4.680 5.679 1.00 . A A . 13 TYR CE2 1 1 3 999 1 1 13 TYR CG C 3.445 -3.328 4.508 1.00 . A A . 13 TYR CG 1 1 3 1000 1 1 13 TYR CZ C 2.118 -4.039 6.885 1.00 . A A . 13 TYR CZ 1 1 3 1001 1 1 13 TYR H H 5.819 -1.925 1.682 1.00 . A A . 13 TYR H 1 1 3 1002 1 1 13 TYR HA H 5.930 -3.876 3.811 1.00 . A A . 13 TYR HA 1 1 3 1003 1 1 13 TYR HB3 H 3.410 -3.007 2.399 1.00 . A A . 13 TYR HB3 1 1 3 1004 1 1 13 TYR HD1 H 4.533 -1.920 5.738 1.00 . A A . 13 TYR HD1 1 1 3 1005 1 1 13 TYR HD2 H 2.198 -4.820 3.571 1.00 . A A . 13 TYR HD2 1 1 3 1006 1 1 13 TYR HE1 H 3.370 -2.545 7.828 1.00 . A A . 13 TYR HE1 1 1 3 1007 1 1 13 TYR HE2 H 1.028 -5.444 5.664 1.00 . A A . 13 TYR HE2 1 1 3 1008 1 1 13 TYR HH H 1.766 -3.889 8.795 1.00 . A A . 13 TYR HH 1 1 3 1009 1 1 13 TYR N N 6.257 -2.749 2.091 1.00 . A A . 13 TYR N 1 1 3 1010 1 1 13 TYR O O 4.896 -5.995 2.799 1.00 . A A . 13 TYR O 1 1 3 1011 1 1 13 TYR OH O 1.465 -4.383 8.030 1.00 . A A . 13 TYR OH 1 1 3 1012 1 1 14 CYS C C 4.972 -5.969 -1.350 1.00 . A A . 14 CYS C 1 1 3 1013 1 1 14 CYS CA C 4.268 -5.917 -0.004 1.00 . A A . 14 CYS CA 1 1 3 1014 1 1 14 CYS CB C 2.801 -5.527 -0.252 1.00 . A A . 14 CYS CB 1 1 3 1015 1 1 14 CYS H H 5.151 -4.037 0.383 1.00 . A A . 14 CYS H 1 1 3 1016 1 1 14 CYS HA H 4.314 -6.899 0.470 1.00 . A A . 14 CYS HA 1 1 3 1017 1 1 14 CYS HB3 H 2.415 -5.988 -1.162 1.00 . A A . 14 CYS HB3 1 1 3 1018 1 1 14 CYS N N 4.919 -4.911 0.832 1.00 . A A . 14 CYS N 1 1 3 1019 1 1 14 CYS O O 5.275 -4.930 -1.928 1.00 . A A . 14 CYS O 1 1 3 1020 1 1 14 CYS SG S 1.669 -6.034 1.064 1.00 . A A . 14 CYS SG 1 1 3 1021 1 1 15 LEU C C 4.769 -6.715 -4.263 1.00 . A A . 15 LEU C 1 1 3 1022 1 1 15 LEU CA C 5.703 -7.352 -3.231 1.00 . A A . 15 LEU CA 1 1 3 1023 1 1 15 LEU CB C 5.914 -8.842 -3.542 1.00 . A A . 15 LEU CB 1 1 3 1024 1 1 15 LEU CD1 C 8.465 -8.906 -3.491 1.00 . A A . 15 LEU CD1 1 1 3 1025 1 1 15 LEU CD2 C 7.192 -9.408 -1.386 1.00 . A A . 15 LEU CD2 1 1 3 1026 1 1 15 LEU CG C 7.166 -9.486 -2.915 1.00 . A A . 15 LEU CG 1 1 3 1027 1 1 15 LEU H H 4.916 -7.998 -1.360 1.00 . A A . 15 LEU H 1 1 3 1028 1 1 15 LEU HA H 6.656 -6.828 -3.298 1.00 . A A . 15 LEU HA 1 1 3 1029 1 1 15 LEU HB3 H 6.006 -8.954 -4.624 1.00 . A A . 15 LEU HB3 1 1 3 1030 1 1 15 LEU HD11 H 8.615 -7.878 -3.164 1.00 . A A . 15 LEU HD11 1 1 3 1031 1 1 15 LEU HD12 H 9.310 -9.504 -3.149 1.00 . A A . 15 LEU HD12 1 1 3 1032 1 1 15 LEU HD13 H 8.435 -8.937 -4.581 1.00 . A A . 15 LEU HD13 1 1 3 1033 1 1 15 LEU HD21 H 6.257 -9.792 -0.976 1.00 . A A . 15 LEU HD21 1 1 3 1034 1 1 15 LEU HD22 H 8.014 -10.015 -1.007 1.00 . A A . 15 LEU HD22 1 1 3 1035 1 1 15 LEU HD23 H 7.343 -8.380 -1.054 1.00 . A A . 15 LEU HD23 1 1 3 1036 1 1 15 LEU HG H 7.139 -10.543 -3.186 1.00 . A A . 15 LEU HG 1 1 3 1037 1 1 15 LEU N N 5.164 -7.177 -1.890 1.00 . A A . 15 LEU N 1 1 3 1038 1 1 15 LEU O O 5.243 -6.053 -5.183 1.00 . A A . 15 LEU O 1 1 3 1039 1 1 16 THR C C 1.340 -5.665 -4.514 1.00 . A A . 16 THR C 1 1 3 1040 1 1 16 THR CA C 2.478 -6.498 -5.117 1.00 . A A . 16 THR CA 1 1 3 1041 1 1 16 THR CB C 1.951 -7.748 -5.839 1.00 . A A . 16 THR CB 1 1 3 1042 1 1 16 THR CG2 C 1.261 -7.340 -7.145 1.00 . A A . 16 THR CG2 1 1 3 1043 1 1 16 THR H H 3.120 -7.477 -3.345 1.00 . A A . 16 THR H 1 1 3 1044 1 1 16 THR HA H 2.957 -5.870 -5.869 1.00 . A A . 16 THR HA 1 1 3 1045 1 1 16 THR HB H 1.246 -8.281 -5.197 1.00 . A A . 16 THR HB 1 1 3 1046 1 1 16 THR HG1 H 2.679 -9.391 -6.601 1.00 . A A . 16 THR HG1 1 1 3 1047 1 1 16 THR HG21 H 0.839 -8.219 -7.632 1.00 . A A . 16 THR HG21 1 1 3 1048 1 1 16 THR HG22 H 0.465 -6.627 -6.935 1.00 . A A . 16 THR HG22 1 1 3 1049 1 1 16 THR HG23 H 1.988 -6.871 -7.808 1.00 . A A . 16 THR HG23 1 1 3 1050 1 1 16 THR N N 3.450 -6.909 -4.111 1.00 . A A . 16 THR N 1 1 3 1051 1 1 16 THR O O 0.202 -6.139 -4.407 1.00 . A A . 16 THR O 1 1 3 1052 1 1 16 THR OG1 O 3.022 -8.619 -6.147 1.00 . A A . 16 THR OG1 1 1 3 1053 1 1 17 PRO C C -0.544 -3.259 -4.517 1.00 . A A . 17 PRO C 1 1 3 1054 1 1 17 PRO CA C 0.571 -3.608 -3.536 1.00 . A A . 17 PRO CA 1 1 3 1055 1 1 17 PRO CB C 1.233 -2.402 -2.865 1.00 . A A . 17 PRO CB 1 1 3 1056 1 1 17 PRO CD C 2.855 -3.922 -3.586 1.00 . A A . 17 PRO CD 1 1 3 1057 1 1 17 PRO CG C 2.704 -2.475 -3.205 1.00 . A A . 17 PRO CG 1 1 3 1058 1 1 17 PRO HA H 0.218 -4.240 -2.734 1.00 . A A . 17 PRO HA 1 1 3 1059 1 1 17 PRO HB3 H 1.053 -2.442 -1.799 1.00 . A A . 17 PRO HB3 1 1 3 1060 1 1 17 PRO HD3 H 2.882 -4.337 -2.612 1.00 . A A . 17 PRO HD3 1 1 3 1061 1 1 17 PRO HG3 H 3.336 -2.256 -2.356 1.00 . A A . 17 PRO HG3 1 1 3 1062 1 1 17 PRO N N 1.606 -4.408 -4.117 1.00 . A A . 17 PRO N 1 1 3 1063 1 1 17 PRO O O -0.495 -3.552 -5.719 1.00 . A A . 17 PRO O 1 1 3 1064 1 1 18 ASP C C -2.440 -0.527 -4.738 1.00 . A A . 18 ASP C 1 1 3 1065 1 1 18 ASP CA C -2.635 -2.032 -4.750 1.00 . A A . 18 ASP CA 1 1 3 1066 1 1 18 ASP CB C -4.010 -2.518 -4.265 1.00 . A A . 18 ASP CB 1 1 3 1067 1 1 18 ASP CG C -5.046 -2.429 -5.376 1.00 . A A . 18 ASP CG 1 1 3 1068 1 1 18 ASP H H -1.551 -2.409 -2.985 1.00 . A A . 18 ASP H 1 1 3 1069 1 1 18 ASP HA H -2.512 -2.293 -5.783 1.00 . A A . 18 ASP HA 1 1 3 1070 1 1 18 ASP HB3 H -4.334 -1.894 -3.442 1.00 . A A . 18 ASP HB3 1 1 3 1071 1 1 18 ASP N N -1.578 -2.628 -3.975 1.00 . A A . 18 ASP N 1 1 3 1072 1 1 18 ASP O O -2.220 0.076 -5.785 1.00 . A A . 18 ASP O 1 1 3 1073 1 1 18 ASP OD1 O -4.701 -2.893 -6.490 1.00 . A A . 18 ASP OD1 1 1 3 1074 1 1 18 ASP OD2 O -6.146 -1.896 -5.089 1.00 . A A . 18 ASP OD2 1 1 3 1075 1 1 19 ARG C C -2.077 1.841 -1.983 1.00 . A A . 19 ARG C 1 1 3 1076 1 1 19 ARG CA C -2.416 1.517 -3.424 1.00 . A A . 19 ARG CA 1 1 3 1077 1 1 19 ARG CB C -3.758 2.189 -3.777 1.00 . A A . 19 ARG CB 1 1 3 1078 1 1 19 ARG CD C -6.310 1.734 -4.210 1.00 . A A . 19 ARG CD 1 1 3 1079 1 1 19 ARG CG C -4.953 1.250 -3.693 1.00 . A A . 19 ARG CG 1 1 3 1080 1 1 19 ARG CZ C -8.223 0.078 -3.876 1.00 . A A . 19 ARG CZ 1 1 3 1081 1 1 19 ARG H H -2.752 -0.435 -2.716 1.00 . A A . 19 ARG H 1 1 3 1082 1 1 19 ARG HA H -1.628 1.909 -4.072 1.00 . A A . 19 ARG HA 1 1 3 1083 1 1 19 ARG HB3 H -3.706 2.658 -4.759 1.00 . A A . 19 ARG HB3 1 1 3 1084 1 1 19 ARG HD3 H -6.169 2.224 -5.175 1.00 . A A . 19 ARG HD3 1 1 3 1085 1 1 19 ARG HE H -6.514 -0.241 -4.784 1.00 . A A . 19 ARG HE 1 1 3 1086 1 1 19 ARG HG3 H -5.030 0.886 -2.679 1.00 . A A . 19 ARG HG3 1 1 3 1087 1 1 19 ARG HH11 H -8.863 1.897 -3.250 1.00 . A A . 19 ARG HH11 1 1 3 1088 1 1 19 ARG HH12 H -9.899 0.572 -2.799 1.00 . A A . 19 ARG HH12 1 1 3 1089 1 1 19 ARG HH21 H -7.720 -1.779 -4.439 1.00 . A A . 19 ARG HH21 1 1 3 1090 1 1 19 ARG HH22 H -9.289 -1.686 -3.622 1.00 . A A . 19 ARG HH22 1 1 3 1091 1 1 19 ARG N N -2.500 0.080 -3.554 1.00 . A A . 19 ARG N 1 1 3 1092 1 1 19 ARG NE N -7.087 0.514 -4.422 1.00 . A A . 19 ARG NE 1 1 3 1093 1 1 19 ARG NH1 N -9.062 0.909 -3.250 1.00 . A A . 19 ARG NH1 1 1 3 1094 1 1 19 ARG NH2 N -8.465 -1.230 -3.981 1.00 . A A . 19 ARG NH2 1 1 3 1095 1 1 19 ARG O O -2.520 1.149 -1.073 1.00 . A A . 19 ARG O 1 1 3 1096 1 1 20 CYS C C -2.997 4.454 -0.817 1.00 . A A . 20 CYS C 1 1 3 1097 1 1 20 CYS CA C -1.675 3.728 -0.573 1.00 . A A . 20 CYS CA 1 1 3 1098 1 1 20 CYS CB C -0.527 4.685 -0.278 1.00 . A A . 20 CYS CB 1 1 3 1099 1 1 20 CYS H H -1.146 3.504 -2.594 1.00 . A A . 20 CYS H 1 1 3 1100 1 1 20 CYS HA H -1.773 3.061 0.280 1.00 . A A . 20 CYS HA 1 1 3 1101 1 1 20 CYS HB3 H -0.398 5.373 -1.112 1.00 . A A . 20 CYS HB3 1 1 3 1102 1 1 20 CYS N N -1.413 2.974 -1.781 1.00 . A A . 20 CYS N 1 1 3 1103 1 1 20 CYS O O -3.088 5.273 -1.731 1.00 . A A . 20 CYS O 1 1 3 1104 1 1 20 CYS SG S -0.827 5.598 1.249 1.00 . A A . 20 CYS SG 1 1 3 1105 1 1 21 SER C C -6.189 4.501 0.958 1.00 . A A . 21 SER C 1 1 3 1106 1 1 21 SER CA C -5.398 4.592 -0.345 1.00 . A A . 21 SER CA 1 1 3 1107 1 1 21 SER CB C -6.052 3.858 -1.529 1.00 . A A . 21 SER CB 1 1 3 1108 1 1 21 SER H H -3.988 3.351 0.592 1.00 . A A . 21 SER H 1 1 3 1109 1 1 21 SER HA H -5.327 5.655 -0.582 1.00 . A A . 21 SER HA 1 1 3 1110 1 1 21 SER HB3 H -7.128 3.909 -1.400 1.00 . A A . 21 SER HB3 1 1 3 1111 1 1 21 SER HG H -4.792 4.896 -2.599 1.00 . A A . 21 SER HG 1 1 3 1112 1 1 21 SER N N -4.066 4.069 -0.120 1.00 . A A . 21 SER N 1 1 3 1113 1 1 21 SER O O -5.988 3.570 1.730 1.00 . A A . 21 SER O 1 1 3 1114 1 1 21 SER OG O -5.701 4.576 -2.696 1.00 . A A . 21 SER OG 1 1 3 1115 1 1 22 TYR C C -6.683 5.560 3.695 1.00 . A A . 22 TYR C 1 1 3 1116 1 1 22 TYR CA C -7.696 5.653 2.543 1.00 . A A . 22 TYR CA 1 1 3 1117 1 1 22 TYR CB C -8.834 4.630 2.694 1.00 . A A . 22 TYR CB 1 1 3 1118 1 1 22 TYR CD1 C -9.718 3.925 0.425 1.00 . A A . 22 TYR CD1 1 1 3 1119 1 1 22 TYR CD2 C -11.057 5.436 1.782 1.00 . A A . 22 TYR CD2 1 1 3 1120 1 1 22 TYR CE1 C -10.720 3.920 -0.560 1.00 . A A . 22 TYR CE1 1 1 3 1121 1 1 22 TYR CE2 C -12.061 5.430 0.797 1.00 . A A . 22 TYR CE2 1 1 3 1122 1 1 22 TYR CG C -9.886 4.677 1.602 1.00 . A A . 22 TYR CG 1 1 3 1123 1 1 22 TYR CZ C -11.894 4.667 -0.372 1.00 . A A . 22 TYR CZ 1 1 3 1124 1 1 22 TYR H H -7.164 6.232 0.566 1.00 . A A . 22 TYR H 1 1 3 1125 1 1 22 TYR HA H -8.136 6.650 2.574 1.00 . A A . 22 TYR HA 1 1 3 1126 1 1 22 TYR HB3 H -9.328 4.810 3.650 1.00 . A A . 22 TYR HB3 1 1 3 1127 1 1 22 TYR HD1 H -8.825 3.338 0.276 1.00 . A A . 22 TYR HD1 1 1 3 1128 1 1 22 TYR HD2 H -11.198 6.014 2.683 1.00 . A A . 22 TYR HD2 1 1 3 1129 1 1 22 TYR HE1 H -10.601 3.331 -1.457 1.00 . A A . 22 TYR HE1 1 1 3 1130 1 1 22 TYR HE2 H -12.962 6.006 0.954 1.00 . A A . 22 TYR HE2 1 1 3 1131 1 1 22 TYR HH H -13.632 5.173 -1.096 1.00 . A A . 22 TYR HH 1 1 3 1132 1 1 22 TYR N N -7.029 5.500 1.248 1.00 . A A . 22 TYR N 1 1 3 1133 1 1 22 TYR O O -6.929 4.891 4.698 1.00 . A A . 22 TYR O 1 1 3 1134 1 1 22 TYR OH O -12.867 4.642 -1.324 1.00 . A A . 22 TYR OH 1 1 3 1135 1 1 23 GLY C C -3.962 4.774 4.894 1.00 . A A . 23 GLY C 1 1 3 1136 1 1 23 GLY CA C -4.430 6.182 4.506 1.00 . A A . 23 GLY CA 1 1 3 1137 1 1 23 GLY H H -5.376 6.722 2.681 1.00 . A A . 23 GLY H 1 1 3 1138 1 1 23 GLY HA2 H -3.580 6.725 4.092 1.00 . A A . 23 GLY HA2 1 1 3 1139 1 1 23 GLY HA3 H -4.768 6.696 5.407 1.00 . A A . 23 GLY HA3 1 1 3 1140 1 1 23 GLY N N -5.517 6.196 3.530 1.00 . A A . 23 GLY N 1 1 3 1141 1 1 23 GLY O O -3.307 4.607 5.925 1.00 . A A . 23 GLY O 1 1 3 1142 1 1 24 THR C C -3.250 1.866 3.103 1.00 . A A . 24 THR C 1 1 3 1143 1 1 24 THR CA C -4.063 2.361 4.295 1.00 . A A . 24 THR CA 1 1 3 1144 1 1 24 THR CB C -5.429 1.658 4.376 1.00 . A A . 24 THR CB 1 1 3 1145 1 1 24 THR CG2 C -5.321 0.165 4.692 1.00 . A A . 24 THR CG2 1 1 3 1146 1 1 24 THR H H -4.779 3.988 3.210 1.00 . A A . 24 THR H 1 1 3 1147 1 1 24 THR HA H -3.523 2.203 5.226 1.00 . A A . 24 THR HA 1 1 3 1148 1 1 24 THR HB H -5.944 1.758 3.421 1.00 . A A . 24 THR HB 1 1 3 1149 1 1 24 THR HG1 H -6.392 3.187 5.137 1.00 . A A . 24 THR HG1 1 1 3 1150 1 1 24 THR HG21 H -4.895 0.025 5.682 1.00 . A A . 24 THR HG21 1 1 3 1151 1 1 24 THR HG22 H -6.318 -0.276 4.678 1.00 . A A . 24 THR HG22 1 1 3 1152 1 1 24 THR HG23 H -4.702 -0.346 3.953 1.00 . A A . 24 THR HG23 1 1 3 1153 1 1 24 THR N N -4.292 3.775 4.072 1.00 . A A . 24 THR N 1 1 3 1154 1 1 24 THR O O -3.546 2.249 1.971 1.00 . A A . 24 THR O 1 1 3 1155 1 1 24 THR OG1 O -6.221 2.266 5.378 1.00 . A A . 24 THR OG1 1 1 3 1156 1 1 25 CYS C C -2.238 -0.822 1.805 1.00 . A A . 25 CYS C 1 1 3 1157 1 1 25 CYS CA C -1.493 0.457 2.207 1.00 . A A . 25 CYS CA 1 1 3 1158 1 1 25 CYS CB C 0.023 0.388 2.482 1.00 . A A . 25 CYS CB 1 1 3 1159 1 1 25 CYS H H -2.050 0.693 4.258 1.00 . A A . 25 CYS H 1 1 3 1160 1 1 25 CYS HA H -1.543 1.128 1.353 1.00 . A A . 25 CYS HA 1 1 3 1161 1 1 25 CYS HB3 H 0.269 0.972 3.365 1.00 . A A . 25 CYS HB3 1 1 3 1162 1 1 25 CYS N N -2.219 1.050 3.322 1.00 . A A . 25 CYS N 1 1 3 1163 1 1 25 CYS O O -2.073 -1.896 2.375 1.00 . A A . 25 CYS O 1 1 3 1164 1 1 25 CYS SG S 0.825 -1.204 2.625 1.00 . A A . 25 CYS SG 1 1 3 1165 1 1 26 TYR C C -2.822 -2.605 -0.508 1.00 . A A . 26 TYR C 1 1 3 1166 1 1 26 TYR CA C -3.863 -1.779 0.236 1.00 . A A . 26 TYR CA 1 1 3 1167 1 1 26 TYR CB C -4.865 -1.264 -0.807 1.00 . A A . 26 TYR CB 1 1 3 1168 1 1 26 TYR CD1 C -6.298 0.366 0.525 1.00 . A A . 26 TYR CD1 1 1 3 1169 1 1 26 TYR CD2 C -7.385 -1.409 -0.734 1.00 . A A . 26 TYR CD2 1 1 3 1170 1 1 26 TYR CE1 C -7.557 0.830 0.943 1.00 . A A . 26 TYR CE1 1 1 3 1171 1 1 26 TYR CE2 C -8.643 -0.911 -0.359 1.00 . A A . 26 TYR CE2 1 1 3 1172 1 1 26 TYR CG C -6.207 -0.768 -0.303 1.00 . A A . 26 TYR CG 1 1 3 1173 1 1 26 TYR CZ C -8.728 0.199 0.495 1.00 . A A . 26 TYR CZ 1 1 3 1174 1 1 26 TYR H H -3.200 0.230 0.382 1.00 . A A . 26 TYR H 1 1 3 1175 1 1 26 TYR HA H -4.373 -2.383 0.989 1.00 . A A . 26 TYR HA 1 1 3 1176 1 1 26 TYR HB3 H -5.086 -2.106 -1.457 1.00 . A A . 26 TYR HB3 1 1 3 1177 1 1 26 TYR HD1 H -5.406 0.881 0.843 1.00 . A A . 26 TYR HD1 1 1 3 1178 1 1 26 TYR HD2 H -7.335 -2.284 -1.366 1.00 . A A . 26 TYR HD2 1 1 3 1179 1 1 26 TYR HE1 H -7.618 1.665 1.622 1.00 . A A . 26 TYR HE1 1 1 3 1180 1 1 26 TYR HE2 H -9.544 -1.415 -0.675 1.00 . A A . 26 TYR HE2 1 1 3 1181 1 1 26 TYR HH H -9.917 1.400 1.477 1.00 . A A . 26 TYR HH 1 1 3 1182 1 1 26 TYR N N -3.161 -0.669 0.854 1.00 . A A . 26 TYR N 1 1 3 1183 1 1 26 TYR O O -2.091 -2.033 -1.320 1.00 . A A . 26 TYR O 1 1 3 1184 1 1 26 TYR OH O -9.954 0.694 0.827 1.00 . A A . 26 TYR OH 1 1 3 1185 1 1 27 CYS C C -3.009 -5.727 -1.930 1.00 . A A . 27 CYS C 1 1 3 1186 1 1 27 CYS CA C -2.058 -4.837 -1.158 1.00 . A A . 27 CYS CA 1 1 3 1187 1 1 27 CYS CB C -1.027 -5.688 -0.403 1.00 . A A . 27 CYS CB 1 1 3 1188 1 1 27 CYS H H -3.430 -4.354 0.358 1.00 . A A . 27 CYS H 1 1 3 1189 1 1 27 CYS HA H -1.556 -4.239 -1.893 1.00 . A A . 27 CYS HA 1 1 3 1190 1 1 27 CYS HB3 H -0.340 -6.095 -1.141 1.00 . A A . 27 CYS HB3 1 1 3 1191 1 1 27 CYS N N -2.797 -3.928 -0.300 1.00 . A A . 27 CYS N 1 1 3 1192 1 1 27 CYS O O -4.115 -5.981 -1.460 1.00 . A A . 27 CYS O 1 1 3 1193 1 1 27 CYS SG S 0.003 -4.823 0.790 1.00 . A A . 27 CYS SG 1 1 3 1194 1 1 28 LYS C C -2.303 -8.549 -3.839 1.00 . A A . 28 LYS C 1 1 3 1195 1 1 28 LYS CA C -3.230 -7.326 -3.769 1.00 . A A . 28 LYS CA 1 1 3 1196 1 1 28 LYS CB C -3.788 -6.883 -5.125 1.00 . A A . 28 LYS CB 1 1 3 1197 1 1 28 LYS CD C -3.430 -5.965 -7.397 1.00 . A A . 28 LYS CD 1 1 3 1198 1 1 28 LYS CE C -2.603 -5.046 -8.302 1.00 . A A . 28 LYS CE 1 1 3 1199 1 1 28 LYS CG C -2.755 -6.230 -6.043 1.00 . A A . 28 LYS CG 1 1 3 1200 1 1 28 LYS H H -1.624 -5.991 -3.416 1.00 . A A . 28 LYS H 1 1 3 1201 1 1 28 LYS HA H -4.110 -7.603 -3.195 1.00 . A A . 28 LYS HA 1 1 3 1202 1 1 28 LYS HB3 H -4.585 -6.160 -4.939 1.00 . A A . 28 LYS HB3 1 1 3 1203 1 1 28 LYS HD3 H -4.406 -5.501 -7.230 1.00 . A A . 28 LYS HD3 1 1 3 1204 1 1 28 LYS HE3 H -3.133 -4.940 -9.250 1.00 . A A . 28 LYS HE3 1 1 3 1205 1 1 28 LYS HG3 H -1.896 -6.891 -6.175 1.00 . A A . 28 LYS HG3 1 1 3 1206 1 1 28 LYS HZ1 H -3.343 -3.389 -7.320 1.00 . A A . 28 LYS HZ1 1 1 3 1207 1 1 28 LYS HZ2 H -1.765 -3.736 -6.941 1.00 . A A . 28 LYS HZ2 1 1 3 1208 1 1 28 LYS HZ3 H -2.130 -3.035 -8.382 1.00 . A A . 28 LYS HZ3 1 1 3 1209 1 1 28 LYS N N -2.555 -6.232 -3.084 1.00 . A A . 28 LYS N 1 1 3 1210 1 1 28 LYS NZ N -2.446 -3.709 -7.701 1.00 . A A . 28 LYS NZ 1 1 3 1211 1 1 28 LYS O O -2.389 -9.353 -4.765 1.00 . A A . 28 LYS O 1 1 3 1212 1 1 29 THR C C -1.265 -11.085 -2.333 1.00 . A A . 29 THR C 1 1 3 1213 1 1 29 THR CA C -0.494 -9.819 -2.730 1.00 . A A . 29 THR CA 1 1 3 1214 1 1 29 THR CB C 0.592 -9.456 -1.699 1.00 . A A . 29 THR CB 1 1 3 1215 1 1 29 THR CG2 C 1.806 -10.385 -1.795 1.00 . A A . 29 THR CG2 1 1 3 1216 1 1 29 THR H H -1.333 -7.978 -2.149 1.00 . A A . 29 THR H 1 1 3 1217 1 1 29 THR HA H -0.014 -9.982 -3.697 1.00 . A A . 29 THR HA 1 1 3 1218 1 1 29 THR HB H 0.172 -9.516 -0.693 1.00 . A A . 29 THR HB 1 1 3 1219 1 1 29 THR HG1 H 1.419 -7.822 -1.073 1.00 . A A . 29 THR HG1 1 1 3 1220 1 1 29 THR HG21 H 2.254 -10.313 -2.786 1.00 . A A . 29 THR HG21 1 1 3 1221 1 1 29 THR HG22 H 2.545 -10.102 -1.046 1.00 . A A . 29 THR HG22 1 1 3 1222 1 1 29 THR HG23 H 1.504 -11.418 -1.612 1.00 . A A . 29 THR HG23 1 1 3 1223 1 1 29 THR N N -1.417 -8.700 -2.848 1.00 . A A . 29 THR N 1 1 3 1224 1 1 29 THR O O -1.146 -11.566 -1.208 1.00 . A A . 29 THR O 1 1 3 1225 1 1 29 THR OG1 O 1.038 -8.129 -1.900 1.00 . A A . 29 THR OG1 1 1 3 1226 1 1 30 THR C C -3.226 -13.409 -4.408 1.00 . A A . 30 THR C 1 1 3 1227 1 1 30 THR CA C -2.853 -12.831 -3.040 1.00 . A A . 30 THR CA 1 1 3 1228 1 1 30 THR CB C -4.071 -12.538 -2.139 1.00 . A A . 30 THR CB 1 1 3 1229 1 1 30 THR CG2 C -5.032 -11.514 -2.756 1.00 . A A . 30 THR CG2 1 1 3 1230 1 1 30 THR H H -2.160 -11.167 -4.155 1.00 . A A . 30 THR H 1 1 3 1231 1 1 30 THR HA H -2.226 -13.567 -2.535 1.00 . A A . 30 THR HA 1 1 3 1232 1 1 30 THR HB H -3.712 -12.142 -1.187 1.00 . A A . 30 THR HB 1 1 3 1233 1 1 30 THR HG1 H -5.424 -13.559 -1.174 1.00 . A A . 30 THR HG1 1 1 3 1234 1 1 30 THR HG21 H -5.446 -11.894 -3.691 1.00 . A A . 30 THR HG21 1 1 3 1235 1 1 30 THR HG22 H -5.852 -11.320 -2.065 1.00 . A A . 30 THR HG22 1 1 3 1236 1 1 30 THR HG23 H -4.513 -10.577 -2.950 1.00 . A A . 30 THR HG23 1 1 3 1237 1 1 30 THR N N -2.075 -11.620 -3.246 1.00 . A A . 30 THR N 1 1 3 1238 1 1 30 THR O O -2.744 -12.942 -5.437 1.00 . A A . 30 THR O 1 1 3 1239 1 1 30 THR OG1 O -4.779 -13.734 -1.864 1.00 . A A . 30 THR OG1 1 1 3 1240 1 1 31 NH2 HN1 H -4.494 -14.702 -3.536 1.00 . A A . 31 NH2 HN1 1 1 3 1241 1 1 31 NH2 HN2 H -4.359 -14.851 -5.295 1.00 . A A . 31 NH2 HN2 1 1 3 1242 1 1 31 NH2 N N -4.084 -14.425 -4.423 1.00 . A A . 31 NH2 N 1 1 4 1243 1 1 1 PCA C C -0.526 9.331 9.112 1.00 . A A . 1 PCA C 1 1 4 1244 1 1 1 PCA CA C -0.097 9.707 10.534 1.00 . A A . 1 PCA CA 1 1 4 1245 1 1 1 PCA CB C 1.431 9.818 10.653 1.00 . A A . 1 PCA CB 1 1 4 1246 1 1 1 PCA CD C 0.586 7.825 11.677 1.00 . A A . 1 PCA CD 1 1 4 1247 1 1 1 PCA CG C 1.823 8.380 10.994 1.00 . A A . 1 PCA CG 1 1 4 1248 1 1 1 PCA HA H -0.574 10.645 10.820 1.00 . A A . 1 PCA HA 1 1 4 1249 1 1 1 PCA HB2 H 1.673 10.460 11.502 1.00 . A A . 1 PCA HB2 1 1 4 1250 1 1 1 PCA HB3 H 1.931 10.189 9.757 1.00 . A A . 1 PCA HB3 1 1 4 1251 1 1 1 PCA HG2 H 2.014 7.812 10.082 1.00 . A A . 1 PCA HG2 1 1 4 1252 1 1 1 PCA HG3 H 2.695 8.350 11.649 1.00 . A A . 1 PCA HG3 1 1 4 1253 1 1 1 PCA N N -0.446 8.639 11.457 1.00 . A A . 1 PCA N 1 1 4 1254 1 1 1 PCA O O 0.074 9.795 8.146 1.00 . A A . 1 PCA O 1 1 4 1255 1 1 1 PCA OE O 0.623 6.853 12.411 1.00 . A A . 1 PCA OE 1 1 4 1256 1 1 2 THR C C -1.030 6.453 7.819 1.00 . A A . 2 THR C 1 1 4 1257 1 1 2 THR CA C -1.898 7.712 7.805 1.00 . A A . 2 THR CA 1 1 4 1258 1 1 2 THR CB C -1.761 8.486 6.478 1.00 . A A . 2 THR CB 1 1 4 1259 1 1 2 THR CG2 C -2.666 7.887 5.400 1.00 . A A . 2 THR CG2 1 1 4 1260 1 1 2 THR H H -2.019 8.199 9.837 1.00 . A A . 2 THR H 1 1 4 1261 1 1 2 THR HA H -2.944 7.428 7.926 1.00 . A A . 2 THR HA 1 1 4 1262 1 1 2 THR HB H -0.726 8.439 6.129 1.00 . A A . 2 THR HB 1 1 4 1263 1 1 2 THR HG1 H -1.407 10.257 7.113 1.00 . A A . 2 THR HG1 1 1 4 1264 1 1 2 THR HG21 H -3.708 7.978 5.707 1.00 . A A . 2 THR HG21 1 1 4 1265 1 1 2 THR HG22 H -2.522 8.435 4.468 1.00 . A A . 2 THR HG22 1 1 4 1266 1 1 2 THR HG23 H -2.420 6.839 5.230 1.00 . A A . 2 THR HG23 1 1 4 1267 1 1 2 THR N N -1.566 8.499 8.989 1.00 . A A . 2 THR N 1 1 4 1268 1 1 2 THR O O 0.144 6.508 8.180 1.00 . A A . 2 THR O 1 1 4 1269 1 1 2 THR OG1 O -2.134 9.838 6.634 1.00 . A A . 2 THR OG1 1 1 4 1270 1 1 3 GLN C C 0.302 4.127 6.415 1.00 . A A . 3 GLN C 1 1 4 1271 1 1 3 GLN CA C -0.878 4.046 7.386 1.00 . A A . 3 GLN CA 1 1 4 1272 1 1 3 GLN CB C -1.811 2.919 6.939 1.00 . A A . 3 GLN CB 1 1 4 1273 1 1 3 GLN CD C -3.810 1.519 7.585 1.00 . A A . 3 GLN CD 1 1 4 1274 1 1 3 GLN CG C -2.984 2.709 7.900 1.00 . A A . 3 GLN CG 1 1 4 1275 1 1 3 GLN H H -2.591 5.315 7.217 1.00 . A A . 3 GLN H 1 1 4 1276 1 1 3 GLN HA H -0.494 3.809 8.380 1.00 . A A . 3 GLN HA 1 1 4 1277 1 1 3 GLN HB3 H -1.229 1.997 6.885 1.00 . A A . 3 GLN HB3 1 1 4 1278 1 1 3 GLN HE21 H -5.068 2.175 9.052 1.00 . A A . 3 GLN HE21 1 1 4 1279 1 1 3 GLN HE22 H -5.258 0.571 8.433 1.00 . A A . 3 GLN HE22 1 1 4 1280 1 1 3 GLN HG3 H -3.716 3.505 7.909 1.00 . A A . 3 GLN HG3 1 1 4 1281 1 1 3 GLN N N -1.610 5.308 7.450 1.00 . A A . 3 GLN N 1 1 4 1282 1 1 3 GLN NE2 N -4.844 1.447 8.391 1.00 . A A . 3 GLN NE2 1 1 4 1283 1 1 3 GLN O O 1.318 3.466 6.616 1.00 . A A . 3 GLN O 1 1 4 1284 1 1 3 GLN OE1 O -3.502 0.672 6.751 1.00 . A A . 3 GLN OE1 1 1 4 1285 1 1 4 CYS C C 1.023 6.489 3.757 1.00 . A A . 4 CYS C 1 1 4 1286 1 1 4 CYS CA C 1.126 5.072 4.287 1.00 . A A . 4 CYS CA 1 1 4 1287 1 1 4 CYS CB C 0.899 4.083 3.142 1.00 . A A . 4 CYS CB 1 1 4 1288 1 1 4 CYS H H -0.697 5.454 5.241 1.00 . A A . 4 CYS H 1 1 4 1289 1 1 4 CYS HA H 2.132 4.920 4.684 1.00 . A A . 4 CYS HA 1 1 4 1290 1 1 4 CYS HB3 H 1.164 3.098 3.493 1.00 . A A . 4 CYS HB3 1 1 4 1291 1 1 4 CYS N N 0.140 4.896 5.336 1.00 . A A . 4 CYS N 1 1 4 1292 1 1 4 CYS O O -0.021 7.131 3.870 1.00 . A A . 4 CYS O 1 1 4 1293 1 1 4 CYS SG S -0.772 4.038 2.432 1.00 . A A . 4 CYS SG 1 1 4 1294 1 1 5 GLN C C 1.918 7.903 0.967 1.00 . A A . 5 GLN C 1 1 4 1295 1 1 5 GLN CA C 2.238 8.186 2.433 1.00 . A A . 5 GLN CA 1 1 4 1296 1 1 5 GLN CB C 3.680 8.685 2.575 1.00 . A A . 5 GLN CB 1 1 4 1297 1 1 5 GLN CD C 5.237 10.407 1.628 1.00 . A A . 5 GLN CD 1 1 4 1298 1 1 5 GLN CG C 3.817 10.135 2.112 1.00 . A A . 5 GLN CG 1 1 4 1299 1 1 5 GLN H H 2.904 6.296 3.050 1.00 . A A . 5 GLN H 1 1 4 1300 1 1 5 GLN HA H 1.568 8.957 2.816 1.00 . A A . 5 GLN HA 1 1 4 1301 1 1 5 GLN HB3 H 4.334 8.053 1.973 1.00 . A A . 5 GLN HB3 1 1 4 1302 1 1 5 GLN HE21 H 5.653 11.596 3.226 1.00 . A A . 5 GLN HE21 1 1 4 1303 1 1 5 GLN HE22 H 6.952 11.380 2.073 1.00 . A A . 5 GLN HE22 1 1 4 1304 1 1 5 GLN HG3 H 3.547 10.804 2.929 1.00 . A A . 5 GLN HG3 1 1 4 1305 1 1 5 GLN N N 2.121 6.945 3.166 1.00 . A A . 5 GLN N 1 1 4 1306 1 1 5 GLN NE2 N 6.005 11.199 2.368 1.00 . A A . 5 GLN NE2 1 1 4 1307 1 1 5 GLN O O 1.304 8.723 0.286 1.00 . A A . 5 GLN O 1 1 4 1308 1 1 5 GLN OE1 O 5.656 9.883 0.596 1.00 . A A . 5 GLN OE1 1 1 4 1309 1 1 6 SER C C 2.601 4.975 -1.168 1.00 . A A . 6 SER C 1 1 4 1310 1 1 6 SER CA C 2.361 6.471 -0.975 1.00 . A A . 6 SER CA 1 1 4 1311 1 1 6 SER CB C 3.454 7.257 -1.709 1.00 . A A . 6 SER CB 1 1 4 1312 1 1 6 SER H H 2.889 6.109 1.068 1.00 . A A . 6 SER H 1 1 4 1313 1 1 6 SER HA H 1.382 6.734 -1.376 1.00 . A A . 6 SER HA 1 1 4 1314 1 1 6 SER HB3 H 3.314 7.141 -2.785 1.00 . A A . 6 SER HB3 1 1 4 1315 1 1 6 SER HG H 2.582 8.886 -1.070 1.00 . A A . 6 SER HG 1 1 4 1316 1 1 6 SER N N 2.407 6.774 0.447 1.00 . A A . 6 SER N 1 1 4 1317 1 1 6 SER O O 3.000 4.286 -0.239 1.00 . A A . 6 SER O 1 1 4 1318 1 1 6 SER OG O 3.465 8.640 -1.387 1.00 . A A . 6 SER OG 1 1 4 1319 1 1 7 VAL C C 3.978 2.540 -2.205 1.00 . A A . 7 VAL C 1 1 4 1320 1 1 7 VAL CA C 2.606 3.052 -2.682 1.00 . A A . 7 VAL CA 1 1 4 1321 1 1 7 VAL CB C 2.332 2.859 -4.181 1.00 . A A . 7 VAL CB 1 1 4 1322 1 1 7 VAL CG1 C 3.388 3.510 -5.083 1.00 . A A . 7 VAL CG1 1 1 4 1323 1 1 7 VAL CG2 C 2.178 1.379 -4.501 1.00 . A A . 7 VAL CG2 1 1 4 1324 1 1 7 VAL H H 2.030 5.002 -3.141 1.00 . A A . 7 VAL H 1 1 4 1325 1 1 7 VAL HA H 1.842 2.504 -2.120 1.00 . A A . 7 VAL HA 1 1 4 1326 1 1 7 VAL HB H 1.372 3.326 -4.408 1.00 . A A . 7 VAL HB 1 1 4 1327 1 1 7 VAL HG11 H 4.356 3.034 -4.947 1.00 . A A . 7 VAL HG11 1 1 4 1328 1 1 7 VAL HG12 H 3.091 3.396 -6.127 1.00 . A A . 7 VAL HG12 1 1 4 1329 1 1 7 VAL HG13 H 3.478 4.574 -4.864 1.00 . A A . 7 VAL HG13 1 1 4 1330 1 1 7 VAL HG21 H 3.117 0.861 -4.324 1.00 . A A . 7 VAL HG21 1 1 4 1331 1 1 7 VAL HG22 H 1.398 0.972 -3.860 1.00 . A A . 7 VAL HG22 1 1 4 1332 1 1 7 VAL HG23 H 1.885 1.270 -5.544 1.00 . A A . 7 VAL HG23 1 1 4 1333 1 1 7 VAL N N 2.404 4.456 -2.382 1.00 . A A . 7 VAL N 1 1 4 1334 1 1 7 VAL O O 4.071 1.411 -1.735 1.00 . A A . 7 VAL O 1 1 4 1335 1 1 8 ARG C C 6.276 2.478 -0.293 1.00 . A A . 8 ARG C 1 1 4 1336 1 1 8 ARG CA C 6.338 3.158 -1.667 1.00 . A A . 8 ARG CA 1 1 4 1337 1 1 8 ARG CB C 7.073 4.500 -1.527 1.00 . A A . 8 ARG CB 1 1 4 1338 1 1 8 ARG CD C 8.355 6.352 -2.728 1.00 . A A . 8 ARG CD 1 1 4 1339 1 1 8 ARG CG C 7.617 5.008 -2.869 1.00 . A A . 8 ARG CG 1 1 4 1340 1 1 8 ARG CZ C 6.753 8.159 -1.982 1.00 . A A . 8 ARG CZ 1 1 4 1341 1 1 8 ARG H H 4.848 4.283 -2.686 1.00 . A A . 8 ARG H 1 1 4 1342 1 1 8 ARG HA H 6.908 2.508 -2.331 1.00 . A A . 8 ARG HA 1 1 4 1343 1 1 8 ARG HB3 H 7.924 4.358 -0.857 1.00 . A A . 8 ARG HB3 1 1 4 1344 1 1 8 ARG HD3 H 9.096 6.397 -3.530 1.00 . A A . 8 ARG HD3 1 1 4 1345 1 1 8 ARG HE H 7.360 7.811 -3.879 1.00 . A A . 8 ARG HE 1 1 4 1346 1 1 8 ARG HG3 H 6.815 5.091 -3.604 1.00 . A A . 8 ARG HG3 1 1 4 1347 1 1 8 ARG HH11 H 7.479 7.117 -0.371 1.00 . A A . 8 ARG HH11 1 1 4 1348 1 1 8 ARG HH12 H 6.385 8.438 -0.004 1.00 . A A . 8 ARG HH12 1 1 4 1349 1 1 8 ARG HH21 H 5.827 9.439 -3.299 1.00 . A A . 8 ARG HH21 1 1 4 1350 1 1 8 ARG HH22 H 5.102 9.307 -1.721 1.00 . A A . 8 ARG HH22 1 1 4 1351 1 1 8 ARG N N 5.014 3.390 -2.254 1.00 . A A . 8 ARG N 1 1 4 1352 1 1 8 ARG NE N 7.461 7.508 -2.921 1.00 . A A . 8 ARG NE 1 1 4 1353 1 1 8 ARG NH1 N 6.867 7.851 -0.688 1.00 . A A . 8 ARG NH1 1 1 4 1354 1 1 8 ARG NH2 N 5.888 9.106 -2.349 1.00 . A A . 8 ARG NH2 1 1 4 1355 1 1 8 ARG O O 7.049 1.563 -0.007 1.00 . A A . 8 ARG O 1 1 4 1356 1 1 9 ASP C C 4.735 0.951 1.780 1.00 . A A . 9 ASP C 1 1 4 1357 1 1 9 ASP CA C 5.185 2.401 1.909 1.00 . A A . 9 ASP CA 1 1 4 1358 1 1 9 ASP CB C 4.128 3.288 2.563 1.00 . A A . 9 ASP CB 1 1 4 1359 1 1 9 ASP CG C 4.667 4.679 2.819 1.00 . A A . 9 ASP CG 1 1 4 1360 1 1 9 ASP H H 4.720 3.666 0.319 1.00 . A A . 9 ASP H 1 1 4 1361 1 1 9 ASP HA H 6.103 2.447 2.493 1.00 . A A . 9 ASP HA 1 1 4 1362 1 1 9 ASP HB3 H 3.700 2.891 3.467 1.00 . A A . 9 ASP HB3 1 1 4 1363 1 1 9 ASP N N 5.385 2.944 0.581 1.00 . A A . 9 ASP N 1 1 4 1364 1 1 9 ASP O O 5.377 0.024 2.285 1.00 . A A . 9 ASP O 1 1 4 1365 1 1 9 ASP OD1 O 5.572 4.817 3.664 1.00 . A A . 9 ASP OD1 1 1 4 1366 1 1 9 ASP OD2 O 4.151 5.592 2.140 1.00 . A A . 9 ASP OD2 1 1 4 1367 1 1 10 CYS C C 4.233 -1.494 0.180 1.00 . A A . 10 CYS C 1 1 4 1368 1 1 10 CYS CA C 3.179 -0.622 0.849 1.00 . A A . 10 CYS CA 1 1 4 1369 1 1 10 CYS CB C 1.849 -0.781 0.104 1.00 . A A . 10 CYS CB 1 1 4 1370 1 1 10 CYS H H 3.210 1.508 0.550 1.00 . A A . 10 CYS H 1 1 4 1371 1 1 10 CYS HA H 3.048 -1.026 1.849 1.00 . A A . 10 CYS HA 1 1 4 1372 1 1 10 CYS HB3 H 2.136 -1.196 -0.819 1.00 . A A . 10 CYS HB3 1 1 4 1373 1 1 10 CYS N N 3.644 0.737 1.035 1.00 . A A . 10 CYS N 1 1 4 1374 1 1 10 CYS O O 4.260 -2.681 0.453 1.00 . A A . 10 CYS O 1 1 4 1375 1 1 10 CYS SG S 0.694 -1.918 0.921 1.00 . A A . 10 CYS SG 1 1 4 1376 1 1 11 GLN C C 7.048 -2.414 -0.383 1.00 . A A . 11 GLN C 1 1 4 1377 1 1 11 GLN CA C 6.082 -1.781 -1.391 1.00 . A A . 11 GLN CA 1 1 4 1378 1 1 11 GLN CB C 6.847 -0.956 -2.433 1.00 . A A . 11 GLN CB 1 1 4 1379 1 1 11 GLN CD C 6.694 0.280 -4.622 1.00 . A A . 11 GLN CD 1 1 4 1380 1 1 11 GLN CG C 5.978 -0.656 -3.658 1.00 . A A . 11 GLN CG 1 1 4 1381 1 1 11 GLN H H 4.969 0.012 -0.966 1.00 . A A . 11 GLN H 1 1 4 1382 1 1 11 GLN HA H 5.579 -2.595 -1.918 1.00 . A A . 11 GLN HA 1 1 4 1383 1 1 11 GLN HB3 H 7.716 -1.526 -2.764 1.00 . A A . 11 GLN HB3 1 1 4 1384 1 1 11 GLN HE21 H 7.961 -1.195 -5.225 1.00 . A A . 11 GLN HE21 1 1 4 1385 1 1 11 GLN HE22 H 8.185 0.375 -5.977 1.00 . A A . 11 GLN HE22 1 1 4 1386 1 1 11 GLN HG3 H 5.048 -0.188 -3.345 1.00 . A A . 11 GLN HG3 1 1 4 1387 1 1 11 GLN N N 5.069 -0.966 -0.718 1.00 . A A . 11 GLN N 1 1 4 1388 1 1 11 GLN NE2 N 7.697 -0.227 -5.332 1.00 . A A . 11 GLN NE2 1 1 4 1389 1 1 11 GLN O O 7.635 -3.455 -0.663 1.00 . A A . 11 GLN O 1 1 4 1390 1 1 11 GLN OE1 O 6.358 1.455 -4.726 1.00 . A A . 11 GLN OE1 1 1 4 1391 1 1 12 GLN C C 7.152 -3.424 2.595 1.00 . A A . 12 GLN C 1 1 4 1392 1 1 12 GLN CA C 8.002 -2.377 1.868 1.00 . A A . 12 GLN CA 1 1 4 1393 1 1 12 GLN CB C 8.479 -1.261 2.806 1.00 . A A . 12 GLN CB 1 1 4 1394 1 1 12 GLN CD C 9.522 1.038 2.751 1.00 . A A . 12 GLN CD 1 1 4 1395 1 1 12 GLN CG C 9.468 -0.331 2.088 1.00 . A A . 12 GLN CG 1 1 4 1396 1 1 12 GLN H H 6.715 -0.935 0.977 1.00 . A A . 12 GLN H 1 1 4 1397 1 1 12 GLN HA H 8.886 -2.876 1.466 1.00 . A A . 12 GLN HA 1 1 4 1398 1 1 12 GLN HB3 H 8.973 -1.697 3.676 1.00 . A A . 12 GLN HB3 1 1 4 1399 1 1 12 GLN HE21 H 8.065 1.746 1.515 1.00 . A A . 12 GLN HE21 1 1 4 1400 1 1 12 GLN HE22 H 8.660 2.866 2.738 1.00 . A A . 12 GLN HE22 1 1 4 1401 1 1 12 GLN HG3 H 9.186 -0.189 1.046 1.00 . A A . 12 GLN HG3 1 1 4 1402 1 1 12 GLN N N 7.226 -1.790 0.786 1.00 . A A . 12 GLN N 1 1 4 1403 1 1 12 GLN NE2 N 8.691 1.965 2.287 1.00 . A A . 12 GLN NE2 1 1 4 1404 1 1 12 GLN O O 7.641 -4.498 2.933 1.00 . A A . 12 GLN O 1 1 4 1405 1 1 12 GLN OE1 O 10.300 1.263 3.673 1.00 . A A . 12 GLN OE1 1 1 4 1406 1 1 13 TYR C C 4.659 -5.308 2.844 1.00 . A A . 13 TYR C 1 1 4 1407 1 1 13 TYR CA C 4.960 -3.988 3.570 1.00 . A A . 13 TYR CA 1 1 4 1408 1 1 13 TYR CB C 3.650 -3.229 3.803 1.00 . A A . 13 TYR CB 1 1 4 1409 1 1 13 TYR CD1 C 3.090 -4.165 6.095 1.00 . A A . 13 TYR CD1 1 1 4 1410 1 1 13 TYR CD2 C 1.389 -4.232 4.359 1.00 . A A . 13 TYR CD2 1 1 4 1411 1 1 13 TYR CE1 C 2.217 -4.826 6.976 1.00 . A A . 13 TYR CE1 1 1 4 1412 1 1 13 TYR CE2 C 0.514 -4.887 5.240 1.00 . A A . 13 TYR CE2 1 1 4 1413 1 1 13 TYR CG C 2.690 -3.888 4.774 1.00 . A A . 13 TYR CG 1 1 4 1414 1 1 13 TYR CZ C 0.931 -5.197 6.544 1.00 . A A . 13 TYR CZ 1 1 4 1415 1 1 13 TYR H H 5.546 -2.196 2.542 1.00 . A A . 13 TYR H 1 1 4 1416 1 1 13 TYR HA H 5.422 -4.220 4.530 1.00 . A A . 13 TYR HA 1 1 4 1417 1 1 13 TYR HB3 H 3.151 -3.113 2.842 1.00 . A A . 13 TYR HB3 1 1 4 1418 1 1 13 TYR HD1 H 4.074 -3.878 6.437 1.00 . A A . 13 TYR HD1 1 1 4 1419 1 1 13 TYR HD2 H 1.057 -3.996 3.361 1.00 . A A . 13 TYR HD2 1 1 4 1420 1 1 13 TYR HE1 H 2.543 -5.050 7.981 1.00 . A A . 13 TYR HE1 1 1 4 1421 1 1 13 TYR HE2 H -0.480 -5.157 4.912 1.00 . A A . 13 TYR HE2 1 1 4 1422 1 1 13 TYR HH H 0.470 -6.019 8.248 1.00 . A A . 13 TYR HH 1 1 4 1423 1 1 13 TYR N N 5.876 -3.110 2.840 1.00 . A A . 13 TYR N 1 1 4 1424 1 1 13 TYR O O 4.524 -6.358 3.470 1.00 . A A . 13 TYR O 1 1 4 1425 1 1 13 TYR OH O 0.083 -5.847 7.388 1.00 . A A . 13 TYR OH 1 1 4 1426 1 1 14 CYS C C 4.728 -6.316 -0.619 1.00 . A A . 14 CYS C 1 1 4 1427 1 1 14 CYS CA C 3.889 -6.226 0.648 1.00 . A A . 14 CYS CA 1 1 4 1428 1 1 14 CYS CB C 2.459 -5.815 0.255 1.00 . A A . 14 CYS CB 1 1 4 1429 1 1 14 CYS H H 4.691 -4.328 1.121 1.00 . A A . 14 CYS H 1 1 4 1430 1 1 14 CYS HA H 3.879 -7.190 1.153 1.00 . A A . 14 CYS HA 1 1 4 1431 1 1 14 CYS HB3 H 2.139 -6.289 -0.679 1.00 . A A . 14 CYS HB3 1 1 4 1432 1 1 14 CYS N N 4.474 -5.223 1.528 1.00 . A A . 14 CYS N 1 1 4 1433 1 1 14 CYS O O 5.132 -5.294 -1.166 1.00 . A A . 14 CYS O 1 1 4 1434 1 1 14 CYS SG S 1.194 -6.228 1.481 1.00 . A A . 14 CYS SG 1 1 4 1435 1 1 15 LEU C C 4.853 -7.100 -3.520 1.00 . A A . 15 LEU C 1 1 4 1436 1 1 15 LEU CA C 5.639 -7.758 -2.379 1.00 . A A . 15 LEU CA 1 1 4 1437 1 1 15 LEU CB C 5.828 -9.271 -2.592 1.00 . A A . 15 LEU CB 1 1 4 1438 1 1 15 LEU CD1 C 7.040 -9.055 -4.854 1.00 . A A . 15 LEU CD1 1 1 4 1439 1 1 15 LEU CD2 C 8.369 -9.415 -2.756 1.00 . A A . 15 LEU CD2 1 1 4 1440 1 1 15 LEU CG C 7.033 -9.688 -3.458 1.00 . A A . 15 LEU CG 1 1 4 1441 1 1 15 LEU H H 4.603 -8.338 -0.615 1.00 . A A . 15 LEU H 1 1 4 1442 1 1 15 LEU HA H 6.612 -7.274 -2.302 1.00 . A A . 15 LEU HA 1 1 4 1443 1 1 15 LEU HB3 H 4.920 -9.689 -3.029 1.00 . A A . 15 LEU HB3 1 1 4 1444 1 1 15 LEU HD11 H 7.789 -9.554 -5.471 1.00 . A A . 15 LEU HD11 1 1 4 1445 1 1 15 LEU HD12 H 6.065 -9.170 -5.326 1.00 . A A . 15 LEU HD12 1 1 4 1446 1 1 15 LEU HD13 H 7.299 -7.999 -4.793 1.00 . A A . 15 LEU HD13 1 1 4 1447 1 1 15 LEU HD21 H 9.181 -9.845 -3.343 1.00 . A A . 15 LEU HD21 1 1 4 1448 1 1 15 LEU HD22 H 8.547 -8.346 -2.651 1.00 . A A . 15 LEU HD22 1 1 4 1449 1 1 15 LEU HD23 H 8.372 -9.877 -1.768 1.00 . A A . 15 LEU HD23 1 1 4 1450 1 1 15 LEU HG H 6.958 -10.768 -3.594 1.00 . A A . 15 LEU HG 1 1 4 1451 1 1 15 LEU N N 4.944 -7.535 -1.119 1.00 . A A . 15 LEU N 1 1 4 1452 1 1 15 LEU O O 5.429 -6.389 -4.337 1.00 . A A . 15 LEU O 1 1 4 1453 1 1 16 THR C C 1.495 -6.010 -3.998 1.00 . A A . 16 THR C 1 1 4 1454 1 1 16 THR CA C 2.662 -6.790 -4.613 1.00 . A A . 16 THR CA 1 1 4 1455 1 1 16 THR CB C 2.162 -7.935 -5.510 1.00 . A A . 16 THR CB 1 1 4 1456 1 1 16 THR CG2 C 1.449 -7.385 -6.748 1.00 . A A . 16 THR CG2 1 1 4 1457 1 1 16 THR H H 3.092 -7.890 -2.848 1.00 . A A . 16 THR H 1 1 4 1458 1 1 16 THR HA H 3.214 -6.102 -5.255 1.00 . A A . 16 THR HA 1 1 4 1459 1 1 16 THR HB H 1.475 -8.573 -4.950 1.00 . A A . 16 THR HB 1 1 4 1460 1 1 16 THR HG1 H 3.752 -9.005 -5.182 1.00 . A A . 16 THR HG1 1 1 4 1461 1 1 16 THR HG21 H 0.591 -6.778 -6.460 1.00 . A A . 16 THR HG21 1 1 4 1462 1 1 16 THR HG22 H 2.140 -6.769 -7.326 1.00 . A A . 16 THR HG22 1 1 4 1463 1 1 16 THR HG23 H 1.108 -8.213 -7.368 1.00 . A A . 16 THR HG23 1 1 4 1464 1 1 16 THR N N 3.533 -7.330 -3.574 1.00 . A A . 16 THR N 1 1 4 1465 1 1 16 THR O O 0.402 -6.566 -3.814 1.00 . A A . 16 THR O 1 1 4 1466 1 1 16 THR OG1 O 3.251 -8.718 -5.949 1.00 . A A . 16 THR OG1 1 1 4 1467 1 1 17 PRO C C -0.354 -3.542 -4.364 1.00 . A A . 17 PRO C 1 1 4 1468 1 1 17 PRO CA C 0.629 -3.874 -3.242 1.00 . A A . 17 PRO CA 1 1 4 1469 1 1 17 PRO CB C 1.256 -2.654 -2.575 1.00 . A A . 17 PRO CB 1 1 4 1470 1 1 17 PRO CD C 2.904 -4.213 -3.062 1.00 . A A . 17 PRO CD 1 1 4 1471 1 1 17 PRO CG C 2.743 -2.739 -2.845 1.00 . A A . 17 PRO CG 1 1 4 1472 1 1 17 PRO HA H 0.180 -4.449 -2.449 1.00 . A A . 17 PRO HA 1 1 4 1473 1 1 17 PRO HB3 H 1.012 -2.690 -1.519 1.00 . A A . 17 PRO HB3 1 1 4 1474 1 1 17 PRO HD3 H 2.852 -4.528 -2.048 1.00 . A A . 17 PRO HD3 1 1 4 1475 1 1 17 PRO HG3 H 3.350 -2.432 -2.011 1.00 . A A . 17 PRO HG3 1 1 4 1476 1 1 17 PRO N N 1.702 -4.727 -3.669 1.00 . A A . 17 PRO N 1 1 4 1477 1 1 17 PRO O O -0.049 -3.695 -5.545 1.00 . A A . 17 PRO O 1 1 4 1478 1 1 18 ASP C C -2.434 -1.092 -4.937 1.00 . A A . 18 ASP C 1 1 4 1479 1 1 18 ASP CA C -2.588 -2.604 -4.849 1.00 . A A . 18 ASP CA 1 1 4 1480 1 1 18 ASP CB C -3.965 -2.968 -4.283 1.00 . A A . 18 ASP CB 1 1 4 1481 1 1 18 ASP CG C -5.110 -2.585 -5.208 1.00 . A A . 18 ASP CG 1 1 4 1482 1 1 18 ASP H H -1.683 -2.934 -2.980 1.00 . A A . 18 ASP H 1 1 4 1483 1 1 18 ASP HA H -2.465 -3.041 -5.837 1.00 . A A . 18 ASP HA 1 1 4 1484 1 1 18 ASP HB3 H -4.099 -2.433 -3.357 1.00 . A A . 18 ASP HB3 1 1 4 1485 1 1 18 ASP N N -1.546 -3.096 -3.969 1.00 . A A . 18 ASP N 1 1 4 1486 1 1 18 ASP O O -2.171 -0.560 -6.015 1.00 . A A . 18 ASP O 1 1 4 1487 1 1 18 ASP OD1 O -4.910 -2.707 -6.436 1.00 . A A . 18 ASP OD1 1 1 4 1488 1 1 18 ASP OD2 O -6.160 -2.171 -4.675 1.00 . A A . 18 ASP OD2 1 1 4 1489 1 1 19 ARG C C -2.172 1.446 -2.272 1.00 . A A . 19 ARG C 1 1 4 1490 1 1 19 ARG CA C -2.477 1.031 -3.708 1.00 . A A . 19 ARG CA 1 1 4 1491 1 1 19 ARG CB C -3.802 1.672 -4.135 1.00 . A A . 19 ARG CB 1 1 4 1492 1 1 19 ARG CD C -6.314 1.546 -4.405 1.00 . A A . 19 ARG CD 1 1 4 1493 1 1 19 ARG CG C -5.064 0.880 -3.809 1.00 . A A . 19 ARG CG 1 1 4 1494 1 1 19 ARG CZ C -8.734 1.838 -3.934 1.00 . A A . 19 ARG CZ 1 1 4 1495 1 1 19 ARG H H -2.897 -0.861 -2.941 1.00 . A A . 19 ARG H 1 1 4 1496 1 1 19 ARG HA H -1.672 1.385 -4.354 1.00 . A A . 19 ARG HA 1 1 4 1497 1 1 19 ARG HB3 H -3.775 1.939 -5.193 1.00 . A A . 19 ARG HB3 1 1 4 1498 1 1 19 ARG HD3 H -6.457 1.104 -5.394 1.00 . A A . 19 ARG HD3 1 1 4 1499 1 1 19 ARG HE H -7.435 0.776 -2.762 1.00 . A A . 19 ARG HE 1 1 4 1500 1 1 19 ARG HG3 H -5.087 0.731 -2.737 1.00 . A A . 19 ARG HG3 1 1 4 1501 1 1 19 ARG HH11 H -8.092 2.475 -5.750 1.00 . A A . 19 ARG HH11 1 1 4 1502 1 1 19 ARG HH12 H -9.765 2.808 -5.430 1.00 . A A . 19 ARG HH12 1 1 4 1503 1 1 19 ARG HH21 H -9.696 1.445 -2.141 1.00 . A A . 19 ARG HH21 1 1 4 1504 1 1 19 ARG HH22 H -10.692 2.096 -3.391 1.00 . A A . 19 ARG HH22 1 1 4 1505 1 1 19 ARG N N -2.584 -0.406 -3.796 1.00 . A A . 19 ARG N 1 1 4 1506 1 1 19 ARG NE N -7.529 1.345 -3.592 1.00 . A A . 19 ARG NE 1 1 4 1507 1 1 19 ARG NH1 N -8.883 2.425 -5.126 1.00 . A A . 19 ARG NH1 1 1 4 1508 1 1 19 ARG NH2 N -9.782 1.771 -3.104 1.00 . A A . 19 ARG NH2 1 1 4 1509 1 1 19 ARG O O -2.602 0.788 -1.332 1.00 . A A . 19 ARG O 1 1 4 1510 1 1 20 CYS C C -2.934 4.306 -1.207 1.00 . A A . 20 CYS C 1 1 4 1511 1 1 20 CYS CA C -1.730 3.417 -0.915 1.00 . A A . 20 CYS CA 1 1 4 1512 1 1 20 CYS CB C -0.488 4.249 -0.609 1.00 . A A . 20 CYS CB 1 1 4 1513 1 1 20 CYS H H -1.302 3.107 -2.957 1.00 . A A . 20 CYS H 1 1 4 1514 1 1 20 CYS HA H -1.932 2.797 -0.047 1.00 . A A . 20 CYS HA 1 1 4 1515 1 1 20 CYS HB3 H -0.254 4.861 -1.478 1.00 . A A . 20 CYS HB3 1 1 4 1516 1 1 20 CYS N N -1.542 2.609 -2.113 1.00 . A A . 20 CYS N 1 1 4 1517 1 1 20 CYS O O -2.883 5.106 -2.139 1.00 . A A . 20 CYS O 1 1 4 1518 1 1 20 CYS SG S -0.729 5.347 0.813 1.00 . A A . 20 CYS SG 1 1 4 1519 1 1 21 SER C C -6.278 4.584 0.321 1.00 . A A . 21 SER C 1 1 4 1520 1 1 21 SER CA C -5.331 4.702 -0.868 1.00 . A A . 21 SER CA 1 1 4 1521 1 1 21 SER CB C -5.898 3.996 -2.104 1.00 . A A . 21 SER CB 1 1 4 1522 1 1 21 SER H H -4.096 3.395 0.212 1.00 . A A . 21 SER H 1 1 4 1523 1 1 21 SER HA H -5.186 5.763 -1.077 1.00 . A A . 21 SER HA 1 1 4 1524 1 1 21 SER HB3 H -6.978 4.111 -2.102 1.00 . A A . 21 SER HB3 1 1 4 1525 1 1 21 SER HG H -4.456 4.872 -3.087 1.00 . A A . 21 SER HG 1 1 4 1526 1 1 21 SER N N -4.061 4.090 -0.528 1.00 . A A . 21 SER N 1 1 4 1527 1 1 21 SER O O -6.127 3.679 1.134 1.00 . A A . 21 SER O 1 1 4 1528 1 1 21 SER OG O -5.372 4.611 -3.262 1.00 . A A . 21 SER OG 1 1 4 1529 1 1 22 TYR C C -7.529 5.427 2.896 1.00 . A A . 22 TYR C 1 1 4 1530 1 1 22 TYR CA C -8.216 5.520 1.522 1.00 . A A . 22 TYR CA 1 1 4 1531 1 1 22 TYR CB C -9.264 4.432 1.281 1.00 . A A . 22 TYR CB 1 1 4 1532 1 1 22 TYR CD1 C -11.556 5.502 1.253 1.00 . A A . 22 TYR CD1 1 1 4 1533 1 1 22 TYR CD2 C -10.987 4.025 3.103 1.00 . A A . 22 TYR CD2 1 1 4 1534 1 1 22 TYR CE1 C -12.846 5.671 1.783 1.00 . A A . 22 TYR CE1 1 1 4 1535 1 1 22 TYR CE2 C -12.276 4.199 3.634 1.00 . A A . 22 TYR CE2 1 1 4 1536 1 1 22 TYR CG C -10.622 4.678 1.911 1.00 . A A . 22 TYR CG 1 1 4 1537 1 1 22 TYR CZ C -13.206 5.020 2.976 1.00 . A A . 22 TYR CZ 1 1 4 1538 1 1 22 TYR H H -7.302 6.231 -0.263 1.00 . A A . 22 TYR H 1 1 4 1539 1 1 22 TYR HA H -8.755 6.455 1.480 1.00 . A A . 22 TYR HA 1 1 4 1540 1 1 22 TYR HB3 H -8.846 3.523 1.680 1.00 . A A . 22 TYR HB3 1 1 4 1541 1 1 22 TYR HD1 H -11.288 5.993 0.329 1.00 . A A . 22 TYR HD1 1 1 4 1542 1 1 22 TYR HD2 H -10.283 3.384 3.615 1.00 . A A . 22 TYR HD2 1 1 4 1543 1 1 22 TYR HE1 H -13.557 6.297 1.264 1.00 . A A . 22 TYR HE1 1 1 4 1544 1 1 22 TYR HE2 H -12.555 3.698 4.551 1.00 . A A . 22 TYR HE2 1 1 4 1545 1 1 22 TYR HH H -15.020 5.740 2.961 1.00 . A A . 22 TYR HH 1 1 4 1546 1 1 22 TYR N N -7.240 5.505 0.434 1.00 . A A . 22 TYR N 1 1 4 1547 1 1 22 TYR O O -8.009 4.759 3.806 1.00 . A A . 22 TYR O 1 1 4 1548 1 1 22 TYR OH O -14.460 5.167 3.486 1.00 . A A . 22 TYR OH 1 1 4 1549 1 1 23 GLY C C -5.186 4.620 4.644 1.00 . A A . 23 GLY C 1 1 4 1550 1 1 23 GLY CA C -5.538 6.047 4.215 1.00 . A A . 23 GLY CA 1 1 4 1551 1 1 23 GLY H H -6.044 6.628 2.239 1.00 . A A . 23 GLY H 1 1 4 1552 1 1 23 GLY HA2 H -4.613 6.572 3.987 1.00 . A A . 23 GLY HA2 1 1 4 1553 1 1 23 GLY HA3 H -6.046 6.560 5.032 1.00 . A A . 23 GLY HA3 1 1 4 1554 1 1 23 GLY N N -6.374 6.089 3.024 1.00 . A A . 23 GLY N 1 1 4 1555 1 1 23 GLY O O -5.182 4.311 5.835 1.00 . A A . 23 GLY O 1 1 4 1556 1 1 24 THR C C -3.644 1.877 2.798 1.00 . A A . 24 THR C 1 1 4 1557 1 1 24 THR CA C -4.542 2.345 3.940 1.00 . A A . 24 THR CA 1 1 4 1558 1 1 24 THR CB C -5.836 1.524 4.070 1.00 . A A . 24 THR CB 1 1 4 1559 1 1 24 THR CG2 C -5.618 0.007 4.044 1.00 . A A . 24 THR CG2 1 1 4 1560 1 1 24 THR H H -4.983 3.991 2.714 1.00 . A A . 24 THR H 1 1 4 1561 1 1 24 THR HA H -3.976 2.270 4.865 1.00 . A A . 24 THR HA 1 1 4 1562 1 1 24 THR HB H -6.505 1.787 3.248 1.00 . A A . 24 THR HB 1 1 4 1563 1 1 24 THR HG1 H -6.225 2.736 5.559 1.00 . A A . 24 THR HG1 1 1 4 1564 1 1 24 THR HG21 H -4.915 -0.287 4.823 1.00 . A A . 24 THR HG21 1 1 4 1565 1 1 24 THR HG22 H -6.571 -0.493 4.226 1.00 . A A . 24 THR HG22 1 1 4 1566 1 1 24 THR HG23 H -5.241 -0.316 3.075 1.00 . A A . 24 THR HG23 1 1 4 1567 1 1 24 THR N N -4.890 3.736 3.691 1.00 . A A . 24 THR N 1 1 4 1568 1 1 24 THR O O -3.794 2.344 1.671 1.00 . A A . 24 THR O 1 1 4 1569 1 1 24 THR OG1 O -6.473 1.842 5.292 1.00 . A A . 24 THR OG1 1 1 4 1570 1 1 25 CYS C C -2.531 -0.976 1.659 1.00 . A A . 25 CYS C 1 1 4 1571 1 1 25 CYS CA C -1.880 0.360 2.038 1.00 . A A . 25 CYS CA 1 1 4 1572 1 1 25 CYS CB C -0.382 0.388 2.394 1.00 . A A . 25 CYS CB 1 1 4 1573 1 1 25 CYS H H -2.623 0.611 4.018 1.00 . A A . 25 CYS H 1 1 4 1574 1 1 25 CYS HA H -1.919 0.980 1.149 1.00 . A A . 25 CYS HA 1 1 4 1575 1 1 25 CYS HB3 H -0.211 1.100 3.198 1.00 . A A . 25 CYS HB3 1 1 4 1576 1 1 25 CYS N N -2.693 0.979 3.078 1.00 . A A . 25 CYS N 1 1 4 1577 1 1 25 CYS O O -2.374 -2.003 2.312 1.00 . A A . 25 CYS O 1 1 4 1578 1 1 25 CYS SG S 0.469 -1.127 2.820 1.00 . A A . 25 CYS SG 1 1 4 1579 1 1 26 TYR C C -3.050 -2.925 -0.636 1.00 . A A . 26 TYR C 1 1 4 1580 1 1 26 TYR CA C -4.085 -2.038 0.044 1.00 . A A . 26 TYR CA 1 1 4 1581 1 1 26 TYR CB C -5.018 -1.517 -1.056 1.00 . A A . 26 TYR CB 1 1 4 1582 1 1 26 TYR CD1 C -6.391 0.205 0.219 1.00 . A A . 26 TYR CD1 1 1 4 1583 1 1 26 TYR CD2 C -7.512 -1.330 -1.299 1.00 . A A . 26 TYR CD2 1 1 4 1584 1 1 26 TYR CE1 C -7.611 0.866 0.438 1.00 . A A . 26 TYR CE1 1 1 4 1585 1 1 26 TYR CE2 C -8.714 -0.633 -1.118 1.00 . A A . 26 TYR CE2 1 1 4 1586 1 1 26 TYR CG C -6.338 -0.898 -0.651 1.00 . A A . 26 TYR CG 1 1 4 1587 1 1 26 TYR CZ C -8.764 0.466 -0.251 1.00 . A A . 26 TYR CZ 1 1 4 1588 1 1 26 TYR H H -3.382 -0.052 0.096 1.00 . A A . 26 TYR H 1 1 4 1589 1 1 26 TYR HA H -4.644 -2.592 0.801 1.00 . A A . 26 TYR HA 1 1 4 1590 1 1 26 TYR HB3 H -5.291 -2.369 -1.668 1.00 . A A . 26 TYR HB3 1 1 4 1591 1 1 26 TYR HD1 H -5.496 0.591 0.680 1.00 . A A . 26 TYR HD1 1 1 4 1592 1 1 26 TYR HD2 H -7.483 -2.147 -2.008 1.00 . A A . 26 TYR HD2 1 1 4 1593 1 1 26 TYR HE1 H -7.636 1.722 1.091 1.00 . A A . 26 TYR HE1 1 1 4 1594 1 1 26 TYR HE2 H -9.595 -0.939 -1.666 1.00 . A A . 26 TYR HE2 1 1 4 1595 1 1 26 TYR HH H -9.872 1.936 0.365 1.00 . A A . 26 TYR HH 1 1 4 1596 1 1 26 TYR N N -3.381 -0.912 0.633 1.00 . A A . 26 TYR N 1 1 4 1597 1 1 26 TYR O O -2.233 -2.380 -1.383 1.00 . A A . 26 TYR O 1 1 4 1598 1 1 26 TYR OH O -9.806 1.334 -0.384 1.00 . A A . 26 TYR OH 1 1 4 1599 1 1 27 CYS C C -3.078 -6.029 -2.175 1.00 . A A . 27 CYS C 1 1 4 1600 1 1 27 CYS CA C -2.276 -5.198 -1.183 1.00 . A A . 27 CYS CA 1 1 4 1601 1 1 27 CYS CB C -1.360 -6.029 -0.275 1.00 . A A . 27 CYS CB 1 1 4 1602 1 1 27 CYS H H -3.819 -4.652 0.148 1.00 . A A . 27 CYS H 1 1 4 1603 1 1 27 CYS HA H -1.641 -4.598 -1.796 1.00 . A A . 27 CYS HA 1 1 4 1604 1 1 27 CYS HB3 H -0.612 -6.510 -0.906 1.00 . A A . 27 CYS HB3 1 1 4 1605 1 1 27 CYS N N -3.113 -4.254 -0.452 1.00 . A A . 27 CYS N 1 1 4 1606 1 1 27 CYS O O -4.242 -6.330 -1.927 1.00 . A A . 27 CYS O 1 1 4 1607 1 1 27 CYS SG S -0.427 -5.052 0.920 1.00 . A A . 27 CYS SG 1 1 4 1608 1 1 28 LYS C C -3.487 -8.307 -4.373 1.00 . A A . 28 LYS C 1 1 4 1609 1 1 28 LYS CA C -3.201 -6.815 -4.499 1.00 . A A . 28 LYS CA 1 1 4 1610 1 1 28 LYS CB C -2.395 -6.485 -5.770 1.00 . A A . 28 LYS CB 1 1 4 1611 1 1 28 LYS CD C -2.354 -5.367 -8.012 1.00 . A A . 28 LYS CD 1 1 4 1612 1 1 28 LYS CE C -3.093 -4.490 -9.035 1.00 . A A . 28 LYS CE 1 1 4 1613 1 1 28 LYS CG C -3.253 -5.812 -6.846 1.00 . A A . 28 LYS CG 1 1 4 1614 1 1 28 LYS H H -1.480 -6.150 -3.442 1.00 . A A . 28 LYS H 1 1 4 1615 1 1 28 LYS HA H -4.160 -6.296 -4.541 1.00 . A A . 28 LYS HA 1 1 4 1616 1 1 28 LYS HB3 H -1.936 -7.384 -6.185 1.00 . A A . 28 LYS HB3 1 1 4 1617 1 1 28 LYS HD3 H -1.987 -6.262 -8.518 1.00 . A A . 28 LYS HD3 1 1 4 1618 1 1 28 LYS HE3 H -4.013 -4.989 -9.346 1.00 . A A . 28 LYS HE3 1 1 4 1619 1 1 28 LYS HG3 H -3.750 -4.953 -6.400 1.00 . A A . 28 LYS HG3 1 1 4 1620 1 1 28 LYS HZ1 H -2.590 -2.669 -8.164 1.00 . A A . 28 LYS HZ1 1 1 4 1621 1 1 28 LYS HZ2 H -3.860 -2.576 -9.205 1.00 . A A . 28 LYS HZ2 1 1 4 1622 1 1 28 LYS HZ3 H -4.061 -3.207 -7.723 1.00 . A A . 28 LYS HZ3 1 1 4 1623 1 1 28 LYS N N -2.470 -6.346 -3.325 1.00 . A A . 28 LYS N 1 1 4 1624 1 1 28 LYS NZ N -3.412 -3.147 -8.505 1.00 . A A . 28 LYS NZ 1 1 4 1625 1 1 28 LYS O O -4.633 -8.741 -4.445 1.00 . A A . 28 LYS O 1 1 4 1626 1 1 29 THR C C -1.296 -11.029 -3.230 1.00 . A A . 29 THR C 1 1 4 1627 1 1 29 THR CA C -2.521 -10.533 -4.007 1.00 . A A . 29 THR CA 1 1 4 1628 1 1 29 THR CB C -2.757 -11.215 -5.374 1.00 . A A . 29 THR CB 1 1 4 1629 1 1 29 THR CG2 C -1.559 -11.093 -6.320 1.00 . A A . 29 THR CG2 1 1 4 1630 1 1 29 THR H H -1.511 -8.665 -4.202 1.00 . A A . 29 THR H 1 1 4 1631 1 1 29 THR HA H -3.390 -10.738 -3.378 1.00 . A A . 29 THR HA 1 1 4 1632 1 1 29 THR HB H -3.608 -10.730 -5.857 1.00 . A A . 29 THR HB 1 1 4 1633 1 1 29 THR HG1 H -3.916 -12.640 -4.721 1.00 . A A . 29 THR HG1 1 1 4 1634 1 1 29 THR HG21 H -1.819 -11.536 -7.281 1.00 . A A . 29 THR HG21 1 1 4 1635 1 1 29 THR HG22 H -1.300 -10.045 -6.475 1.00 . A A . 29 THR HG22 1 1 4 1636 1 1 29 THR HG23 H -0.696 -11.623 -5.917 1.00 . A A . 29 THR HG23 1 1 4 1637 1 1 29 THR N N -2.426 -9.092 -4.195 1.00 . A A . 29 THR N 1 1 4 1638 1 1 29 THR O O -0.853 -12.167 -3.373 1.00 . A A . 29 THR O 1 1 4 1639 1 1 29 THR OG1 O -3.102 -12.576 -5.228 1.00 . A A . 29 THR OG1 1 1 4 1640 1 1 30 THR C C -0.250 -11.430 -0.341 1.00 . A A . 30 THR C 1 1 4 1641 1 1 30 THR CA C 0.337 -10.574 -1.472 1.00 . A A . 30 THR CA 1 1 4 1642 1 1 30 THR CB C 1.093 -9.337 -0.960 1.00 . A A . 30 THR CB 1 1 4 1643 1 1 30 THR CG2 C 2.352 -9.762 -0.199 1.00 . A A . 30 THR CG2 1 1 4 1644 1 1 30 THR H H -1.202 -9.290 -2.191 1.00 . A A . 30 THR H 1 1 4 1645 1 1 30 THR HA H 1.052 -11.179 -2.032 1.00 . A A . 30 THR HA 1 1 4 1646 1 1 30 THR HB H 0.451 -8.758 -0.293 1.00 . A A . 30 THR HB 1 1 4 1647 1 1 30 THR HG1 H 0.743 -8.133 -2.481 1.00 . A A . 30 THR HG1 1 1 4 1648 1 1 30 THR HG21 H 2.818 -8.878 0.221 1.00 . A A . 30 THR HG21 1 1 4 1649 1 1 30 THR HG22 H 2.108 -10.431 0.624 1.00 . A A . 30 THR HG22 1 1 4 1650 1 1 30 THR HG23 H 3.051 -10.260 -0.872 1.00 . A A . 30 THR HG23 1 1 4 1651 1 1 30 THR N N -0.750 -10.177 -2.355 1.00 . A A . 30 THR N 1 1 4 1652 1 1 30 THR O O -0.387 -10.976 0.791 1.00 . A A . 30 THR O 1 1 4 1653 1 1 30 THR OG1 O 1.511 -8.522 -2.046 1.00 . A A . 30 THR OG1 1 1 4 1654 1 1 31 NH2 HN1 H -0.574 -12.959 -1.626 1.00 . A A . 31 NH2 HN1 1 1 4 1655 1 1 31 NH2 HN2 H -1.028 -13.264 0.052 1.00 . A A . 31 NH2 HN2 1 1 4 1656 1 1 31 NH2 N N -0.629 -12.667 -0.656 1.00 . A A . 31 NH2 N 1 1 5 1657 1 1 1 PCA C C -0.549 9.076 7.389 1.00 . A A . 1 PCA C 1 1 5 1658 1 1 1 PCA CA C 0.446 9.703 6.414 1.00 . A A . 1 PCA CA 1 1 5 1659 1 1 1 PCA CB C 1.223 10.872 7.038 1.00 . A A . 1 PCA CB 1 1 5 1660 1 1 1 PCA CD C -0.425 11.609 5.458 1.00 . A A . 1 PCA CD 1 1 5 1661 1 1 1 PCA CG C 0.336 12.068 6.690 1.00 . A A . 1 PCA CG 1 1 5 1662 1 1 1 PCA HA H 1.144 8.945 6.060 1.00 . A A . 1 PCA HA 1 1 5 1663 1 1 1 PCA HB2 H 2.178 10.978 6.520 1.00 . A A . 1 PCA HB2 1 1 5 1664 1 1 1 PCA HB3 H 1.395 10.768 8.110 1.00 . A A . 1 PCA HB3 1 1 5 1665 1 1 1 PCA HG2 H -0.372 12.264 7.496 1.00 . A A . 1 PCA HG2 1 1 5 1666 1 1 1 PCA HG3 H 0.933 12.958 6.486 1.00 . A A . 1 PCA HG3 1 1 5 1667 1 1 1 PCA N N -0.288 10.292 5.310 1.00 . A A . 1 PCA N 1 1 5 1668 1 1 1 PCA O O -0.877 9.670 8.412 1.00 . A A . 1 PCA O 1 1 5 1669 1 1 1 PCA OE O -0.952 12.393 4.687 1.00 . A A . 1 PCA OE 1 1 5 1670 1 1 2 THR C C -0.957 5.795 8.224 1.00 . A A . 2 THR C 1 1 5 1671 1 1 2 THR CA C -1.815 7.033 7.951 1.00 . A A . 2 THR CA 1 1 5 1672 1 1 2 THR CB C -3.210 6.778 7.352 1.00 . A A . 2 THR CB 1 1 5 1673 1 1 2 THR CG2 C -4.179 6.200 8.391 1.00 . A A . 2 THR CG2 1 1 5 1674 1 1 2 THR H H -0.722 7.478 6.176 1.00 . A A . 2 THR H 1 1 5 1675 1 1 2 THR HA H -1.964 7.501 8.918 1.00 . A A . 2 THR HA 1 1 5 1676 1 1 2 THR HB H -3.124 6.117 6.491 1.00 . A A . 2 THR HB 1 1 5 1677 1 1 2 THR HG1 H -3.085 8.514 6.471 1.00 . A A . 2 THR HG1 1 1 5 1678 1 1 2 THR HG21 H -3.838 5.236 8.765 1.00 . A A . 2 THR HG21 1 1 5 1679 1 1 2 THR HG22 H -4.276 6.892 9.228 1.00 . A A . 2 THR HG22 1 1 5 1680 1 1 2 THR HG23 H -5.162 6.069 7.938 1.00 . A A . 2 THR HG23 1 1 5 1681 1 1 2 THR N N -1.041 7.883 7.051 1.00 . A A . 2 THR N 1 1 5 1682 1 1 2 THR O O 0.152 5.930 8.733 1.00 . A A . 2 THR O 1 1 5 1683 1 1 2 THR OG1 O -3.772 7.993 6.898 1.00 . A A . 2 THR OG1 1 1 5 1684 1 1 3 GLN C C 0.686 3.798 6.824 1.00 . A A . 3 GLN C 1 1 5 1685 1 1 3 GLN CA C -0.524 3.446 7.694 1.00 . A A . 3 GLN CA 1 1 5 1686 1 1 3 GLN CB C -1.255 2.283 7.018 1.00 . A A . 3 GLN CB 1 1 5 1687 1 1 3 GLN CD C -3.021 0.514 7.226 1.00 . A A . 3 GLN CD 1 1 5 1688 1 1 3 GLN CG C -2.424 1.726 7.830 1.00 . A A . 3 GLN CG 1 1 5 1689 1 1 3 GLN H H -2.352 4.547 7.482 1.00 . A A . 3 GLN H 1 1 5 1690 1 1 3 GLN HA H -0.179 3.137 8.683 1.00 . A A . 3 GLN HA 1 1 5 1691 1 1 3 GLN HB3 H -0.534 1.477 6.864 1.00 . A A . 3 GLN HB3 1 1 5 1692 1 1 3 GLN HE21 H -4.261 0.499 8.847 1.00 . A A . 3 GLN HE21 1 1 5 1693 1 1 3 GLN HE22 H -4.347 -0.805 7.719 1.00 . A A . 3 GLN HE22 1 1 5 1694 1 1 3 GLN HG3 H -3.285 2.379 7.913 1.00 . A A . 3 GLN HG3 1 1 5 1695 1 1 3 GLN N N -1.406 4.606 7.817 1.00 . A A . 3 GLN N 1 1 5 1696 1 1 3 GLN NE2 N -3.970 0.041 7.998 1.00 . A A . 3 GLN NE2 1 1 5 1697 1 1 3 GLN O O 1.805 3.374 7.092 1.00 . A A . 3 GLN O 1 1 5 1698 1 1 3 GLN OE1 O -2.651 0.024 6.161 1.00 . A A . 3 GLN OE1 1 1 5 1699 1 1 4 CYS C C 1.070 6.352 4.307 1.00 . A A . 4 CYS C 1 1 5 1700 1 1 4 CYS CA C 1.348 4.916 4.707 1.00 . A A . 4 CYS CA 1 1 5 1701 1 1 4 CYS CB C 1.150 4.022 3.481 1.00 . A A . 4 CYS CB 1 1 5 1702 1 1 4 CYS H H -0.530 4.864 5.612 1.00 . A A . 4 CYS H 1 1 5 1703 1 1 4 CYS HA H 2.377 4.833 5.063 1.00 . A A . 4 CYS HA 1 1 5 1704 1 1 4 CYS HB3 H 1.524 3.037 3.714 1.00 . A A . 4 CYS HB3 1 1 5 1705 1 1 4 CYS N N 0.413 4.533 5.746 1.00 . A A . 4 CYS N 1 1 5 1706 1 1 4 CYS O O 0.002 6.892 4.606 1.00 . A A . 4 CYS O 1 1 5 1707 1 1 4 CYS SG S -0.560 3.889 2.880 1.00 . A A . 4 CYS SG 1 1 5 1708 1 1 5 GLN C C 1.734 7.990 1.438 1.00 . A A . 5 GLN C 1 1 5 1709 1 1 5 GLN CA C 1.938 8.222 2.935 1.00 . A A . 5 GLN CA 1 1 5 1710 1 1 5 GLN CB C 3.215 9.029 3.193 1.00 . A A . 5 GLN CB 1 1 5 1711 1 1 5 GLN CD C 4.133 11.412 3.135 1.00 . A A . 5 GLN CD 1 1 5 1712 1 1 5 GLN CG C 2.890 10.523 3.100 1.00 . A A . 5 GLN CG 1 1 5 1713 1 1 5 GLN H H 2.883 6.398 3.420 1.00 . A A . 5 GLN H 1 1 5 1714 1 1 5 GLN HA H 1.092 8.793 3.315 1.00 . A A . 5 GLN HA 1 1 5 1715 1 1 5 GLN HB3 H 3.979 8.752 2.465 1.00 . A A . 5 GLN HB3 1 1 5 1716 1 1 5 GLN HE21 H 3.001 13.107 3.124 1.00 . A A . 5 GLN HE21 1 1 5 1717 1 1 5 GLN HE22 H 4.743 13.328 3.174 1.00 . A A . 5 GLN HE22 1 1 5 1718 1 1 5 GLN HG3 H 2.249 10.797 3.937 1.00 . A A . 5 GLN HG3 1 1 5 1719 1 1 5 GLN N N 2.038 6.943 3.613 1.00 . A A . 5 GLN N 1 1 5 1720 1 1 5 GLN NE2 N 3.934 12.726 3.148 1.00 . A A . 5 GLN NE2 1 1 5 1721 1 1 5 GLN O O 1.008 8.741 0.790 1.00 . A A . 5 GLN O 1 1 5 1722 1 1 5 GLN OE1 O 5.262 10.935 3.153 1.00 . A A . 5 GLN OE1 1 1 5 1723 1 1 6 SER C C 2.544 5.175 -0.777 1.00 . A A . 6 SER C 1 1 5 1724 1 1 6 SER CA C 2.258 6.640 -0.540 1.00 . A A . 6 SER CA 1 1 5 1725 1 1 6 SER CB C 3.167 7.500 -1.425 1.00 . A A . 6 SER CB 1 1 5 1726 1 1 6 SER H H 2.936 6.331 1.462 1.00 . A A . 6 SER H 1 1 5 1727 1 1 6 SER HA H 1.227 6.812 -0.851 1.00 . A A . 6 SER HA 1 1 5 1728 1 1 6 SER HB3 H 2.592 8.375 -1.695 1.00 . A A . 6 SER HB3 1 1 5 1729 1 1 6 SER HG H 4.247 7.940 0.145 1.00 . A A . 6 SER HG 1 1 5 1730 1 1 6 SER N N 2.383 6.968 0.872 1.00 . A A . 6 SER N 1 1 5 1731 1 1 6 SER O O 2.964 4.444 0.109 1.00 . A A . 6 SER O 1 1 5 1732 1 1 6 SER OG O 4.397 7.812 -0.798 1.00 . A A . 6 SER OG 1 1 5 1733 1 1 7 VAL C C 3.831 2.799 -1.996 1.00 . A A . 7 VAL C 1 1 5 1734 1 1 7 VAL CA C 2.461 3.362 -2.403 1.00 . A A . 7 VAL CA 1 1 5 1735 1 1 7 VAL CB C 2.161 3.280 -3.907 1.00 . A A . 7 VAL CB 1 1 5 1736 1 1 7 VAL CG1 C 3.255 3.896 -4.789 1.00 . A A . 7 VAL CG1 1 1 5 1737 1 1 7 VAL CG2 C 1.910 1.833 -4.291 1.00 . A A . 7 VAL CG2 1 1 5 1738 1 1 7 VAL H H 1.987 5.408 -2.698 1.00 . A A . 7 VAL H 1 1 5 1739 1 1 7 VAL HA H 1.709 2.796 -1.849 1.00 . A A . 7 VAL HA 1 1 5 1740 1 1 7 VAL HB H 1.233 3.822 -4.098 1.00 . A A . 7 VAL HB 1 1 5 1741 1 1 7 VAL HG11 H 2.928 3.886 -5.829 1.00 . A A . 7 VAL HG11 1 1 5 1742 1 1 7 VAL HG12 H 3.446 4.928 -4.495 1.00 . A A . 7 VAL HG12 1 1 5 1743 1 1 7 VAL HG13 H 4.178 3.323 -4.712 1.00 . A A . 7 VAL HG13 1 1 5 1744 1 1 7 VAL HG21 H 1.618 1.787 -5.337 1.00 . A A . 7 VAL HG21 1 1 5 1745 1 1 7 VAL HG22 H 2.812 1.249 -4.124 1.00 . A A . 7 VAL HG22 1 1 5 1746 1 1 7 VAL HG23 H 1.101 1.461 -3.666 1.00 . A A . 7 VAL HG23 1 1 5 1747 1 1 7 VAL N N 2.312 4.745 -2.011 1.00 . A A . 7 VAL N 1 1 5 1748 1 1 7 VAL O O 3.926 1.646 -1.589 1.00 . A A . 7 VAL O 1 1 5 1749 1 1 8 ARG C C 6.310 2.712 -0.240 1.00 . A A . 8 ARG C 1 1 5 1750 1 1 8 ARG CA C 6.235 3.313 -1.648 1.00 . A A . 8 ARG CA 1 1 5 1751 1 1 8 ARG CB C 7.100 4.572 -1.767 1.00 . A A . 8 ARG CB 1 1 5 1752 1 1 8 ARG CD C 7.942 6.331 -3.376 1.00 . A A . 8 ARG CD 1 1 5 1753 1 1 8 ARG CG C 7.256 4.969 -3.243 1.00 . A A . 8 ARG CG 1 1 5 1754 1 1 8 ARG CZ C 8.458 7.900 -5.252 1.00 . A A . 8 ARG CZ 1 1 5 1755 1 1 8 ARG H H 4.687 4.570 -2.372 1.00 . A A . 8 ARG H 1 1 5 1756 1 1 8 ARG HA H 6.629 2.572 -2.340 1.00 . A A . 8 ARG HA 1 1 5 1757 1 1 8 ARG HB3 H 8.088 4.369 -1.348 1.00 . A A . 8 ARG HB3 1 1 5 1758 1 1 8 ARG HD3 H 8.925 6.281 -2.903 1.00 . A A . 8 ARG HD3 1 1 5 1759 1 1 8 ARG HE H 7.886 5.957 -5.458 1.00 . A A . 8 ARG HE 1 1 5 1760 1 1 8 ARG HG3 H 6.279 5.027 -3.723 1.00 . A A . 8 ARG HG3 1 1 5 1761 1 1 8 ARG HH11 H 8.700 8.689 -3.396 1.00 . A A . 8 ARG HH11 1 1 5 1762 1 1 8 ARG HH12 H 9.024 9.798 -4.691 1.00 . A A . 8 ARG HH12 1 1 5 1763 1 1 8 ARG HH21 H 8.310 7.388 -7.225 1.00 . A A . 8 ARG HH21 1 1 5 1764 1 1 8 ARG HH22 H 8.804 9.023 -6.935 1.00 . A A . 8 ARG HH22 1 1 5 1765 1 1 8 ARG N N 4.872 3.633 -2.054 1.00 . A A . 8 ARG N 1 1 5 1766 1 1 8 ARG NE N 8.089 6.692 -4.795 1.00 . A A . 8 ARG NE 1 1 5 1767 1 1 8 ARG NH1 N 8.752 8.877 -4.386 1.00 . A A . 8 ARG NH1 1 1 5 1768 1 1 8 ARG NH2 N 8.531 8.123 -6.569 1.00 . A A . 8 ARG NH2 1 1 5 1769 1 1 8 ARG O O 7.043 1.747 -0.029 1.00 . A A . 8 ARG O 1 1 5 1770 1 1 9 ASP C C 4.984 1.224 1.916 1.00 . A A . 9 ASP C 1 1 5 1771 1 1 9 ASP CA C 5.424 2.682 2.046 1.00 . A A . 9 ASP CA 1 1 5 1772 1 1 9 ASP CB C 4.365 3.511 2.776 1.00 . A A . 9 ASP CB 1 1 5 1773 1 1 9 ASP CG C 4.821 4.921 3.095 1.00 . A A . 9 ASP CG 1 1 5 1774 1 1 9 ASP H H 4.870 3.976 0.509 1.00 . A A . 9 ASP H 1 1 5 1775 1 1 9 ASP HA H 6.378 2.737 2.574 1.00 . A A . 9 ASP HA 1 1 5 1776 1 1 9 ASP HB3 H 3.987 3.051 3.672 1.00 . A A . 9 ASP HB3 1 1 5 1777 1 1 9 ASP N N 5.538 3.241 0.713 1.00 . A A . 9 ASP N 1 1 5 1778 1 1 9 ASP O O 5.631 0.297 2.415 1.00 . A A . 9 ASP O 1 1 5 1779 1 1 9 ASP OD1 O 5.738 5.062 3.925 1.00 . A A . 9 ASP OD1 1 1 5 1780 1 1 9 ASP OD2 O 4.199 5.841 2.520 1.00 . A A . 9 ASP OD2 1 1 5 1781 1 1 10 CYS C C 4.503 -1.169 0.206 1.00 . A A . 10 CYS C 1 1 5 1782 1 1 10 CYS CA C 3.457 -0.355 0.960 1.00 . A A . 10 CYS CA 1 1 5 1783 1 1 10 CYS CB C 2.096 -0.523 0.276 1.00 . A A . 10 CYS CB 1 1 5 1784 1 1 10 CYS H H 3.455 1.771 0.671 1.00 . A A . 10 CYS H 1 1 5 1785 1 1 10 CYS HA H 3.379 -0.802 1.950 1.00 . A A . 10 CYS HA 1 1 5 1786 1 1 10 CYS HB3 H 2.352 -0.881 -0.677 1.00 . A A . 10 CYS HB3 1 1 5 1787 1 1 10 CYS N N 3.891 1.007 1.175 1.00 . A A . 10 CYS N 1 1 5 1788 1 1 10 CYS O O 4.571 -2.363 0.426 1.00 . A A . 10 CYS O 1 1 5 1789 1 1 10 CYS SG S 1.038 -1.769 1.055 1.00 . A A . 10 CYS SG 1 1 5 1790 1 1 11 GLN C C 7.299 -1.991 -0.511 1.00 . A A . 11 GLN C 1 1 5 1791 1 1 11 GLN CA C 6.278 -1.352 -1.461 1.00 . A A . 11 GLN CA 1 1 5 1792 1 1 11 GLN CB C 6.985 -0.504 -2.528 1.00 . A A . 11 GLN CB 1 1 5 1793 1 1 11 GLN CD C 6.755 0.739 -4.716 1.00 . A A . 11 GLN CD 1 1 5 1794 1 1 11 GLN CG C 6.047 -0.125 -3.680 1.00 . A A . 11 GLN CG 1 1 5 1795 1 1 11 GLN H H 5.140 0.399 -0.918 1.00 . A A . 11 GLN H 1 1 5 1796 1 1 11 GLN HA H 5.760 -2.155 -1.992 1.00 . A A . 11 GLN HA 1 1 5 1797 1 1 11 GLN HB3 H 7.802 -1.097 -2.941 1.00 . A A . 11 GLN HB3 1 1 5 1798 1 1 11 GLN HE21 H 7.932 -0.814 -5.303 1.00 . A A . 11 GLN HE21 1 1 5 1799 1 1 11 GLN HE22 H 8.186 0.708 -6.141 1.00 . A A . 11 GLN HE22 1 1 5 1800 1 1 11 GLN HG3 H 5.191 0.424 -3.298 1.00 . A A . 11 GLN HG3 1 1 5 1801 1 1 11 GLN N N 5.282 -0.584 -0.713 1.00 . A A . 11 GLN N 1 1 5 1802 1 1 11 GLN NE2 N 7.703 0.159 -5.447 1.00 . A A . 11 GLN NE2 1 1 5 1803 1 1 11 GLN O O 7.863 -3.036 -0.824 1.00 . A A . 11 GLN O 1 1 5 1804 1 1 11 GLN OE1 O 6.459 1.920 -4.865 1.00 . A A . 11 GLN OE1 1 1 5 1805 1 1 12 GLN C C 7.534 -3.123 2.366 1.00 . A A . 12 GLN C 1 1 5 1806 1 1 12 GLN CA C 8.338 -2.003 1.695 1.00 . A A . 12 GLN CA 1 1 5 1807 1 1 12 GLN CB C 8.809 -0.954 2.711 1.00 . A A . 12 GLN CB 1 1 5 1808 1 1 12 GLN CD C 10.200 1.154 3.019 1.00 . A A . 12 GLN CD 1 1 5 1809 1 1 12 GLN CG C 9.704 0.098 2.039 1.00 . A A . 12 GLN CG 1 1 5 1810 1 1 12 GLN H H 7.076 -0.496 0.854 1.00 . A A . 12 GLN H 1 1 5 1811 1 1 12 GLN HA H 9.228 -2.452 1.249 1.00 . A A . 12 GLN HA 1 1 5 1812 1 1 12 GLN HB3 H 9.373 -1.469 3.490 1.00 . A A . 12 GLN HB3 1 1 5 1813 1 1 12 GLN HE21 H 10.971 -0.251 4.280 1.00 . A A . 12 GLN HE21 1 1 5 1814 1 1 12 GLN HE22 H 11.161 1.426 4.767 1.00 . A A . 12 GLN HE22 1 1 5 1815 1 1 12 GLN HG3 H 9.146 0.607 1.252 1.00 . A A . 12 GLN HG3 1 1 5 1816 1 1 12 GLN N N 7.542 -1.375 0.650 1.00 . A A . 12 GLN N 1 1 5 1817 1 1 12 GLN NE2 N 10.836 0.733 4.110 1.00 . A A . 12 GLN NE2 1 1 5 1818 1 1 12 GLN O O 8.057 -4.208 2.606 1.00 . A A . 12 GLN O 1 1 5 1819 1 1 12 GLN OE1 O 10.032 2.348 2.797 1.00 . A A . 12 GLN OE1 1 1 5 1820 1 1 13 TYR C C 5.107 -5.093 2.605 1.00 . A A . 13 TYR C 1 1 5 1821 1 1 13 TYR CA C 5.397 -3.804 3.390 1.00 . A A . 13 TYR CA 1 1 5 1822 1 1 13 TYR CB C 4.075 -3.094 3.704 1.00 . A A . 13 TYR CB 1 1 5 1823 1 1 13 TYR CD1 C 3.672 -3.982 6.045 1.00 . A A . 13 TYR CD1 1 1 5 1824 1 1 13 TYR CD2 C 1.908 -4.223 4.387 1.00 . A A . 13 TYR CD2 1 1 5 1825 1 1 13 TYR CE1 C 2.868 -4.640 6.992 1.00 . A A . 13 TYR CE1 1 1 5 1826 1 1 13 TYR CE2 C 1.104 -4.879 5.333 1.00 . A A . 13 TYR CE2 1 1 5 1827 1 1 13 TYR CG C 3.202 -3.789 4.733 1.00 . A A . 13 TYR CG 1 1 5 1828 1 1 13 TYR CZ C 1.589 -5.096 6.633 1.00 . A A . 13 TYR CZ 1 1 5 1829 1 1 13 TYR H H 5.902 -1.933 2.461 1.00 . A A . 13 TYR H 1 1 5 1830 1 1 13 TYR HA H 5.893 -4.072 4.323 1.00 . A A . 13 TYR HA 1 1 5 1831 1 1 13 TYR HB3 H 3.514 -2.992 2.776 1.00 . A A . 13 TYR HB3 1 1 5 1832 1 1 13 TYR HD1 H 4.651 -3.624 6.332 1.00 . A A . 13 TYR HD1 1 1 5 1833 1 1 13 TYR HD2 H 1.519 -4.042 3.398 1.00 . A A . 13 TYR HD2 1 1 5 1834 1 1 13 TYR HE1 H 3.235 -4.799 7.996 1.00 . A A . 13 TYR HE1 1 1 5 1835 1 1 13 TYR HE2 H 0.114 -5.204 5.052 1.00 . A A . 13 TYR HE2 1 1 5 1836 1 1 13 TYR HH H -0.037 -5.999 7.210 1.00 . A A . 13 TYR HH 1 1 5 1837 1 1 13 TYR N N 6.265 -2.857 2.683 1.00 . A A . 13 TYR N 1 1 5 1838 1 1 13 TYR O O 4.963 -6.169 3.181 1.00 . A A . 13 TYR O 1 1 5 1839 1 1 13 TYR OH O 0.817 -5.734 7.557 1.00 . A A . 13 TYR OH 1 1 5 1840 1 1 14 CYS C C 5.154 -5.844 -0.939 1.00 . A A . 14 CYS C 1 1 5 1841 1 1 14 CYS CA C 4.357 -5.904 0.355 1.00 . A A . 14 CYS CA 1 1 5 1842 1 1 14 CYS CB C 2.911 -5.495 0.032 1.00 . A A . 14 CYS CB 1 1 5 1843 1 1 14 CYS H H 5.154 -4.035 0.932 1.00 . A A . 14 CYS H 1 1 5 1844 1 1 14 CYS HA H 4.376 -6.916 0.762 1.00 . A A . 14 CYS HA 1 1 5 1845 1 1 14 CYS HB3 H 2.581 -5.919 -0.920 1.00 . A A . 14 CYS HB3 1 1 5 1846 1 1 14 CYS N N 4.942 -4.952 1.291 1.00 . A A . 14 CYS N 1 1 5 1847 1 1 14 CYS O O 5.472 -4.758 -1.414 1.00 . A A . 14 CYS O 1 1 5 1848 1 1 14 CYS SG S 1.688 -5.977 1.273 1.00 . A A . 14 CYS SG 1 1 5 1849 1 1 15 LEU C C 5.286 -6.347 -3.910 1.00 . A A . 15 LEU C 1 1 5 1850 1 1 15 LEU CA C 6.126 -7.042 -2.829 1.00 . A A . 15 LEU CA 1 1 5 1851 1 1 15 LEU CB C 6.458 -8.503 -3.190 1.00 . A A . 15 LEU CB 1 1 5 1852 1 1 15 LEU CD1 C 7.850 -7.874 -5.257 1.00 . A A . 15 LEU CD1 1 1 5 1853 1 1 15 LEU CD2 C 9.006 -8.450 -3.103 1.00 . A A . 15 LEU CD2 1 1 5 1854 1 1 15 LEU CG C 7.769 -8.708 -3.974 1.00 . A A . 15 LEU CG 1 1 5 1855 1 1 15 LEU H H 5.160 -7.866 -1.108 1.00 . A A . 15 LEU H 1 1 5 1856 1 1 15 LEU HA H 7.052 -6.481 -2.705 1.00 . A A . 15 LEU HA 1 1 5 1857 1 1 15 LEU HB3 H 5.632 -8.928 -3.762 1.00 . A A . 15 LEU HB3 1 1 5 1858 1 1 15 LEU HD11 H 6.940 -7.999 -5.846 1.00 . A A . 15 LEU HD11 1 1 5 1859 1 1 15 LEU HD12 H 7.992 -6.820 -5.019 1.00 . A A . 15 LEU HD12 1 1 5 1860 1 1 15 LEU HD13 H 8.700 -8.208 -5.852 1.00 . A A . 15 LEU HD13 1 1 5 1861 1 1 15 LEU HD21 H 8.958 -9.057 -2.199 1.00 . A A . 15 LEU HD21 1 1 5 1862 1 1 15 LEU HD22 H 9.904 -8.724 -3.658 1.00 . A A . 15 LEU HD22 1 1 5 1863 1 1 15 LEU HD23 H 9.079 -7.400 -2.824 1.00 . A A . 15 LEU HD23 1 1 5 1864 1 1 15 LEU HG H 7.797 -9.758 -4.267 1.00 . A A . 15 LEU HG 1 1 5 1865 1 1 15 LEU N N 5.425 -6.999 -1.552 1.00 . A A . 15 LEU N 1 1 5 1866 1 1 15 LEU O O 5.811 -5.559 -4.691 1.00 . A A . 15 LEU O 1 1 5 1867 1 1 16 THR C C 1.835 -5.411 -4.275 1.00 . A A . 16 THR C 1 1 5 1868 1 1 16 THR CA C 3.056 -6.065 -4.939 1.00 . A A . 16 THR CA 1 1 5 1869 1 1 16 THR CB C 2.640 -7.147 -5.948 1.00 . A A . 16 THR CB 1 1 5 1870 1 1 16 THR CG2 C 1.896 -6.523 -7.131 1.00 . A A . 16 THR CG2 1 1 5 1871 1 1 16 THR H H 3.601 -7.268 -3.260 1.00 . A A . 16 THR H 1 1 5 1872 1 1 16 THR HA H 3.558 -5.285 -5.511 1.00 . A A . 16 THR HA 1 1 5 1873 1 1 16 THR HB H 1.999 -7.886 -5.461 1.00 . A A . 16 THR HB 1 1 5 1874 1 1 16 THR HG1 H 4.317 -8.117 -5.724 1.00 . A A . 16 THR HG1 1 1 5 1875 1 1 16 THR HG21 H 2.543 -5.803 -7.630 1.00 . A A . 16 THR HG21 1 1 5 1876 1 1 16 THR HG22 H 1.618 -7.307 -7.836 1.00 . A A . 16 THR HG22 1 1 5 1877 1 1 16 THR HG23 H 0.997 -6.014 -6.787 1.00 . A A . 16 THR HG23 1 1 5 1878 1 1 16 THR N N 3.976 -6.634 -3.951 1.00 . A A . 16 THR N 1 1 5 1879 1 1 16 THR O O 0.750 -6.001 -4.229 1.00 . A A . 16 THR O 1 1 5 1880 1 1 16 THR OG1 O 3.785 -7.801 -6.458 1.00 . A A . 16 THR OG1 1 1 5 1881 1 1 17 PRO C C -0.154 -3.095 -4.335 1.00 . A A . 17 PRO C 1 1 5 1882 1 1 17 PRO CA C 0.871 -3.431 -3.254 1.00 . A A . 17 PRO CA 1 1 5 1883 1 1 17 PRO CB C 1.452 -2.219 -2.526 1.00 . A A . 17 PRO CB 1 1 5 1884 1 1 17 PRO CD C 3.173 -3.641 -3.168 1.00 . A A . 17 PRO CD 1 1 5 1885 1 1 17 PRO CG C 2.932 -2.197 -2.854 1.00 . A A . 17 PRO CG 1 1 5 1886 1 1 17 PRO HA H 0.462 -4.073 -2.487 1.00 . A A . 17 PRO HA 1 1 5 1887 1 1 17 PRO HB3 H 1.250 -2.342 -1.469 1.00 . A A . 17 PRO HB3 1 1 5 1888 1 1 17 PRO HD3 H 3.172 -4.028 -2.180 1.00 . A A . 17 PRO HD3 1 1 5 1889 1 1 17 PRO HG3 H 3.551 -1.906 -2.026 1.00 . A A . 17 PRO HG3 1 1 5 1890 1 1 17 PRO N N 1.981 -4.181 -3.766 1.00 . A A . 17 PRO N 1 1 5 1891 1 1 17 PRO O O 0.141 -3.113 -5.530 1.00 . A A . 17 PRO O 1 1 5 1892 1 1 18 ASP C C -2.324 -0.784 -4.686 1.00 . A A . 18 ASP C 1 1 5 1893 1 1 18 ASP CA C -2.468 -2.299 -4.684 1.00 . A A . 18 ASP CA 1 1 5 1894 1 1 18 ASP CB C -3.804 -2.757 -4.073 1.00 . A A . 18 ASP CB 1 1 5 1895 1 1 18 ASP CG C -5.005 -2.495 -4.973 1.00 . A A . 18 ASP CG 1 1 5 1896 1 1 18 ASP H H -1.490 -2.750 -2.886 1.00 . A A . 18 ASP H 1 1 5 1897 1 1 18 ASP HA H -2.386 -2.668 -5.702 1.00 . A A . 18 ASP HA 1 1 5 1898 1 1 18 ASP HB3 H -3.969 -2.238 -3.137 1.00 . A A . 18 ASP HB3 1 1 5 1899 1 1 18 ASP N N -1.373 -2.808 -3.888 1.00 . A A . 18 ASP N 1 1 5 1900 1 1 18 ASP O O -2.130 -0.168 -5.730 1.00 . A A . 18 ASP O 1 1 5 1901 1 1 18 ASP OD1 O -4.849 -2.583 -6.206 1.00 . A A . 18 ASP OD1 1 1 5 1902 1 1 18 ASP OD2 O -6.089 -2.205 -4.416 1.00 . A A . 18 ASP OD2 1 1 5 1903 1 1 19 ARG C C -2.026 1.582 -1.878 1.00 . A A . 19 ARG C 1 1 5 1904 1 1 19 ARG CA C -2.347 1.257 -3.328 1.00 . A A . 19 ARG CA 1 1 5 1905 1 1 19 ARG CB C -3.704 1.896 -3.674 1.00 . A A . 19 ARG CB 1 1 5 1906 1 1 19 ARG CD C -6.233 1.431 -4.142 1.00 . A A . 19 ARG CD 1 1 5 1907 1 1 19 ARG CG C -4.893 0.948 -3.577 1.00 . A A . 19 ARG CG 1 1 5 1908 1 1 19 ARG CZ C -7.935 0.028 -5.335 1.00 . A A . 19 ARG CZ 1 1 5 1909 1 1 19 ARG H H -2.641 -0.713 -2.658 1.00 . A A . 19 ARG H 1 1 5 1910 1 1 19 ARG HA H -1.568 1.675 -3.967 1.00 . A A . 19 ARG HA 1 1 5 1911 1 1 19 ARG HB3 H -3.664 2.372 -4.655 1.00 . A A . 19 ARG HB3 1 1 5 1912 1 1 19 ARG HD3 H -6.044 1.925 -5.096 1.00 . A A . 19 ARG HD3 1 1 5 1913 1 1 19 ARG HE H -6.652 -0.630 -3.977 1.00 . A A . 19 ARG HE 1 1 5 1914 1 1 19 ARG HG3 H -4.965 0.584 -2.561 1.00 . A A . 19 ARG HG3 1 1 5 1915 1 1 19 ARG HH11 H -8.394 1.988 -5.550 1.00 . A A . 19 ARG HH11 1 1 5 1916 1 1 19 ARG HH12 H -9.237 0.926 -6.646 1.00 . A A . 19 ARG HH12 1 1 5 1917 1 1 19 ARG HH21 H -7.471 -1.914 -5.348 1.00 . A A . 19 ARG HH21 1 1 5 1918 1 1 19 ARG HH22 H -8.764 -1.496 -6.476 1.00 . A A . 19 ARG HH22 1 1 5 1919 1 1 19 ARG N N -2.401 -0.182 -3.492 1.00 . A A . 19 ARG N 1 1 5 1920 1 1 19 ARG NE N -7.053 0.233 -4.355 1.00 . A A . 19 ARG NE 1 1 5 1921 1 1 19 ARG NH1 N -8.575 1.058 -5.898 1.00 . A A . 19 ARG NH1 1 1 5 1922 1 1 19 ARG NH2 N -8.135 -1.228 -5.738 1.00 . A A . 19 ARG NH2 1 1 5 1923 1 1 19 ARG O O -2.447 0.864 -0.977 1.00 . A A . 19 ARG O 1 1 5 1924 1 1 20 CYS C C -2.940 4.305 -0.739 1.00 . A A . 20 CYS C 1 1 5 1925 1 1 20 CYS CA C -1.677 3.501 -0.447 1.00 . A A . 20 CYS CA 1 1 5 1926 1 1 20 CYS CB C -0.501 4.410 -0.107 1.00 . A A . 20 CYS CB 1 1 5 1927 1 1 20 CYS H H -1.158 3.283 -2.473 1.00 . A A . 20 CYS H 1 1 5 1928 1 1 20 CYS HA H -1.839 2.839 0.399 1.00 . A A . 20 CYS HA 1 1 5 1929 1 1 20 CYS HB3 H -0.343 5.101 -0.932 1.00 . A A . 20 CYS HB3 1 1 5 1930 1 1 20 CYS N N -1.410 2.743 -1.659 1.00 . A A . 20 CYS N 1 1 5 1931 1 1 20 CYS O O -2.941 5.132 -1.650 1.00 . A A . 20 CYS O 1 1 5 1932 1 1 20 CYS SG S -0.763 5.350 1.415 1.00 . A A . 20 CYS SG 1 1 5 1933 1 1 21 SER C C -6.252 4.363 0.834 1.00 . A A . 21 SER C 1 1 5 1934 1 1 21 SER CA C -5.358 4.551 -0.386 1.00 . A A . 21 SER CA 1 1 5 1935 1 1 21 SER CB C -5.929 3.861 -1.632 1.00 . A A . 21 SER CB 1 1 5 1936 1 1 21 SER H H -4.053 3.259 0.624 1.00 . A A . 21 SER H 1 1 5 1937 1 1 21 SER HA H -5.264 5.625 -0.563 1.00 . A A . 21 SER HA 1 1 5 1938 1 1 21 SER HB3 H -7.013 3.942 -1.603 1.00 . A A . 21 SER HB3 1 1 5 1939 1 1 21 SER HG H -4.538 4.829 -2.604 1.00 . A A . 21 SER HG 1 1 5 1940 1 1 21 SER N N -4.057 3.986 -0.087 1.00 . A A . 21 SER N 1 1 5 1941 1 1 21 SER O O -6.008 3.463 1.627 1.00 . A A . 21 SER O 1 1 5 1942 1 1 21 SER OG O -5.444 4.536 -2.777 1.00 . A A . 21 SER OG 1 1 5 1943 1 1 22 TYR C C -7.374 5.115 3.491 1.00 . A A . 22 TYR C 1 1 5 1944 1 1 22 TYR CA C -8.156 5.178 2.167 1.00 . A A . 22 TYR CA 1 1 5 1945 1 1 22 TYR CB C -9.150 4.030 1.990 1.00 . A A . 22 TYR CB 1 1 5 1946 1 1 22 TYR CD1 C -11.457 5.000 2.364 1.00 . A A . 22 TYR CD1 1 1 5 1947 1 1 22 TYR CD2 C -10.633 3.326 3.927 1.00 . A A . 22 TYR CD2 1 1 5 1948 1 1 22 TYR CE1 C -12.676 5.054 3.061 1.00 . A A . 22 TYR CE1 1 1 5 1949 1 1 22 TYR CE2 C -11.852 3.383 4.627 1.00 . A A . 22 TYR CE2 1 1 5 1950 1 1 22 TYR CG C -10.431 4.139 2.796 1.00 . A A . 22 TYR CG 1 1 5 1951 1 1 22 TYR CZ C -12.871 4.244 4.194 1.00 . A A . 22 TYR CZ 1 1 5 1952 1 1 22 TYR H H -7.405 5.953 0.331 1.00 . A A . 22 TYR H 1 1 5 1953 1 1 22 TYR HA H -8.752 6.075 2.171 1.00 . A A . 22 TYR HA 1 1 5 1954 1 1 22 TYR HB3 H -8.622 3.134 2.276 1.00 . A A . 22 TYR HB3 1 1 5 1955 1 1 22 TYR HD1 H -11.317 5.609 1.482 1.00 . A A . 22 TYR HD1 1 1 5 1956 1 1 22 TYR HD2 H -9.856 2.654 4.262 1.00 . A A . 22 TYR HD2 1 1 5 1957 1 1 22 TYR HE1 H -13.458 5.712 2.715 1.00 . A A . 22 TYR HE1 1 1 5 1958 1 1 22 TYR HE2 H -12.005 2.759 5.495 1.00 . A A . 22 TYR HE2 1 1 5 1959 1 1 22 TYR HH H -14.688 4.894 4.486 1.00 . A A . 22 TYR HH 1 1 5 1960 1 1 22 TYR N N -7.256 5.227 1.015 1.00 . A A . 22 TYR N 1 1 5 1961 1 1 22 TYR O O -7.748 4.411 4.423 1.00 . A A . 22 TYR O 1 1 5 1962 1 1 22 TYR OH O -14.058 4.280 4.865 1.00 . A A . 22 TYR OH 1 1 5 1963 1 1 23 GLY C C -4.915 4.388 5.054 1.00 . A A . 23 GLY C 1 1 5 1964 1 1 23 GLY CA C -5.334 5.814 4.684 1.00 . A A . 23 GLY CA 1 1 5 1965 1 1 23 GLY H H -6.007 6.414 2.760 1.00 . A A . 23 GLY H 1 1 5 1966 1 1 23 GLY HA2 H -4.443 6.386 4.421 1.00 . A A . 23 GLY HA2 1 1 5 1967 1 1 23 GLY HA3 H -5.814 6.288 5.541 1.00 . A A . 23 GLY HA3 1 1 5 1968 1 1 23 GLY N N -6.252 5.843 3.554 1.00 . A A . 23 GLY N 1 1 5 1969 1 1 23 GLY O O -4.856 4.037 6.232 1.00 . A A . 23 GLY O 1 1 5 1970 1 1 24 THR C C -3.450 1.669 3.100 1.00 . A A . 24 THR C 1 1 5 1971 1 1 24 THR CA C -4.339 2.134 4.251 1.00 . A A . 24 THR CA 1 1 5 1972 1 1 24 THR CB C -5.664 1.357 4.348 1.00 . A A . 24 THR CB 1 1 5 1973 1 1 24 THR CG2 C -5.519 -0.157 4.165 1.00 . A A . 24 THR CG2 1 1 5 1974 1 1 24 THR H H -4.769 3.835 3.100 1.00 . A A . 24 THR H 1 1 5 1975 1 1 24 THR HA H -3.782 2.019 5.176 1.00 . A A . 24 THR HA 1 1 5 1976 1 1 24 THR HB H -6.352 1.723 3.583 1.00 . A A . 24 THR HB 1 1 5 1977 1 1 24 THR HG1 H -6.092 2.513 5.866 1.00 . A A . 24 THR HG1 1 1 5 1978 1 1 24 THR HG21 H -4.812 -0.562 4.887 1.00 . A A . 24 THR HG21 1 1 5 1979 1 1 24 THR HG22 H -6.490 -0.627 4.323 1.00 . A A . 24 THR HG22 1 1 5 1980 1 1 24 THR HG23 H -5.186 -0.393 3.154 1.00 . A A . 24 THR HG23 1 1 5 1981 1 1 24 THR N N -4.637 3.544 4.062 1.00 . A A . 24 THR N 1 1 5 1982 1 1 24 THR O O -3.652 2.088 1.962 1.00 . A A . 24 THR O 1 1 5 1983 1 1 24 THR OG1 O -6.228 1.587 5.625 1.00 . A A . 24 THR OG1 1 1 5 1984 1 1 25 CYS C C -2.176 -1.081 1.921 1.00 . A A . 25 CYS C 1 1 5 1985 1 1 25 CYS CA C -1.588 0.271 2.350 1.00 . A A . 25 CYS CA 1 1 5 1986 1 1 25 CYS CB C -0.097 0.356 2.730 1.00 . A A . 25 CYS CB 1 1 5 1987 1 1 25 CYS H H -2.355 0.476 4.336 1.00 . A A . 25 CYS H 1 1 5 1988 1 1 25 CYS HA H -1.637 0.912 1.474 1.00 . A A . 25 CYS HA 1 1 5 1989 1 1 25 CYS HB3 H 0.028 0.997 3.600 1.00 . A A . 25 CYS HB3 1 1 5 1990 1 1 25 CYS N N -2.445 0.835 3.387 1.00 . A A . 25 CYS N 1 1 5 1991 1 1 25 CYS O O -1.957 -2.127 2.525 1.00 . A A . 25 CYS O 1 1 5 1992 1 1 25 CYS SG S 0.850 -1.136 3.014 1.00 . A A . 25 CYS SG 1 1 5 1993 1 1 26 TYR C C -2.714 -2.934 -0.537 1.00 . A A . 26 TYR C 1 1 5 1994 1 1 26 TYR CA C -3.718 -2.141 0.291 1.00 . A A . 26 TYR CA 1 1 5 1995 1 1 26 TYR CB C -4.801 -1.582 -0.640 1.00 . A A . 26 TYR CB 1 1 5 1996 1 1 26 TYR CD1 C -6.985 -1.869 0.598 1.00 . A A . 26 TYR CD1 1 1 5 1997 1 1 26 TYR CD2 C -6.209 0.385 0.117 1.00 . A A . 26 TYR CD2 1 1 5 1998 1 1 26 TYR CE1 C -8.180 -1.348 1.123 1.00 . A A . 26 TYR CE1 1 1 5 1999 1 1 26 TYR CE2 C -7.444 0.896 0.549 1.00 . A A . 26 TYR CE2 1 1 5 2000 1 1 26 TYR CG C -6.003 -1.003 0.076 1.00 . A A . 26 TYR CG 1 1 5 2001 1 1 26 TYR CZ C -8.416 0.037 1.080 1.00 . A A . 26 TYR CZ 1 1 5 2002 1 1 26 TYR H H -3.109 -0.125 0.424 1.00 . A A . 26 TYR H 1 1 5 2003 1 1 26 TYR HA H -4.164 -2.779 1.057 1.00 . A A . 26 TYR HA 1 1 5 2004 1 1 26 TYR HB3 H -5.176 -2.382 -1.274 1.00 . A A . 26 TYR HB3 1 1 5 2005 1 1 26 TYR HD1 H -6.833 -2.937 0.571 1.00 . A A . 26 TYR HD1 1 1 5 2006 1 1 26 TYR HD2 H -5.432 1.057 -0.216 1.00 . A A . 26 TYR HD2 1 1 5 2007 1 1 26 TYR HE1 H -8.928 -2.021 1.514 1.00 . A A . 26 TYR HE1 1 1 5 2008 1 1 26 TYR HE2 H -7.652 1.949 0.478 1.00 . A A . 26 TYR HE2 1 1 5 2009 1 1 26 TYR HH H -10.183 -0.113 1.894 1.00 . A A . 26 TYR HH 1 1 5 2010 1 1 26 TYR N N -3.038 -1.015 0.906 1.00 . A A . 26 TYR N 1 1 5 2011 1 1 26 TYR O O -1.909 -2.307 -1.230 1.00 . A A . 26 TYR O 1 1 5 2012 1 1 26 TYR OH O -9.600 0.550 1.522 1.00 . A A . 26 TYR OH 1 1 5 2013 1 1 27 CYS C C -2.691 -6.140 -2.140 1.00 . A A . 27 CYS C 1 1 5 2014 1 1 27 CYS CA C -1.911 -5.144 -1.299 1.00 . A A . 27 CYS CA 1 1 5 2015 1 1 27 CYS CB C -0.879 -5.874 -0.432 1.00 . A A . 27 CYS CB 1 1 5 2016 1 1 27 CYS H H -3.467 -4.744 0.054 1.00 . A A . 27 CYS H 1 1 5 2017 1 1 27 CYS HA H -1.403 -4.527 -2.012 1.00 . A A . 27 CYS HA 1 1 5 2018 1 1 27 CYS HB3 H -0.133 -6.302 -1.098 1.00 . A A . 27 CYS HB3 1 1 5 2019 1 1 27 CYS N N -2.780 -4.276 -0.513 1.00 . A A . 27 CYS N 1 1 5 2020 1 1 27 CYS O O -3.755 -6.596 -1.727 1.00 . A A . 27 CYS O 1 1 5 2021 1 1 27 CYS SG S 0.023 -4.854 0.742 1.00 . A A . 27 CYS SG 1 1 5 2022 1 1 28 LYS C C -2.552 -8.915 -3.732 1.00 . A A . 28 LYS C 1 1 5 2023 1 1 28 LYS CA C -2.798 -7.472 -4.197 1.00 . A A . 28 LYS CA 1 1 5 2024 1 1 28 LYS CB C -2.313 -7.247 -5.639 1.00 . A A . 28 LYS CB 1 1 5 2025 1 1 28 LYS CD C -2.251 -5.651 -7.593 1.00 . A A . 28 LYS CD 1 1 5 2026 1 1 28 LYS CE C -2.295 -4.167 -7.984 1.00 . A A . 28 LYS CE 1 1 5 2027 1 1 28 LYS CG C -2.487 -5.788 -6.084 1.00 . A A . 28 LYS CG 1 1 5 2028 1 1 28 LYS H H -1.220 -6.193 -3.562 1.00 . A A . 28 LYS H 1 1 5 2029 1 1 28 LYS HA H -3.875 -7.299 -4.182 1.00 . A A . 28 LYS HA 1 1 5 2030 1 1 28 LYS HB3 H -2.894 -7.892 -6.300 1.00 . A A . 28 LYS HB3 1 1 5 2031 1 1 28 LYS HD3 H -3.031 -6.208 -8.116 1.00 . A A . 28 LYS HD3 1 1 5 2032 1 1 28 LYS HE3 H -1.464 -3.646 -7.506 1.00 . A A . 28 LYS HE3 1 1 5 2033 1 1 28 LYS HG3 H -1.768 -5.166 -5.547 1.00 . A A . 28 LYS HG3 1 1 5 2034 1 1 28 LYS HZ1 H -1.330 -4.319 -9.792 1.00 . A A . 28 LYS HZ1 1 1 5 2035 1 1 28 LYS HZ2 H -2.978 -4.398 -9.905 1.00 . A A . 28 LYS HZ2 1 1 5 2036 1 1 28 LYS HZ3 H -2.239 -2.958 -9.623 1.00 . A A . 28 LYS HZ3 1 1 5 2037 1 1 28 LYS N N -2.143 -6.526 -3.300 1.00 . A A . 28 LYS N 1 1 5 2038 1 1 28 LYS NZ N -2.202 -3.951 -9.438 1.00 . A A . 28 LYS NZ 1 1 5 2039 1 1 28 LYS O O -2.326 -9.811 -4.544 1.00 . A A . 28 LYS O 1 1 5 2040 1 1 29 THR C C -3.568 -11.314 -1.936 1.00 . A A . 29 THR C 1 1 5 2041 1 1 29 THR CA C -2.314 -10.448 -1.825 1.00 . A A . 29 THR CA 1 1 5 2042 1 1 29 THR CB C -1.884 -10.211 -0.372 1.00 . A A . 29 THR CB 1 1 5 2043 1 1 29 THR CG2 C -0.460 -9.651 -0.317 1.00 . A A . 29 THR CG2 1 1 5 2044 1 1 29 THR H H -2.884 -8.426 -1.780 1.00 . A A . 29 THR H 1 1 5 2045 1 1 29 THR HA H -1.502 -10.950 -2.354 1.00 . A A . 29 THR HA 1 1 5 2046 1 1 29 THR HB H -1.912 -11.148 0.188 1.00 . A A . 29 THR HB 1 1 5 2047 1 1 29 THR HG1 H -3.635 -9.677 0.255 1.00 . A A . 29 THR HG1 1 1 5 2048 1 1 29 THR HG21 H -0.197 -9.425 0.716 1.00 . A A . 29 THR HG21 1 1 5 2049 1 1 29 THR HG22 H 0.242 -10.390 -0.707 1.00 . A A . 29 THR HG22 1 1 5 2050 1 1 29 THR HG23 H -0.384 -8.744 -0.912 1.00 . A A . 29 THR HG23 1 1 5 2051 1 1 29 THR N N -2.595 -9.157 -2.423 1.00 . A A . 29 THR N 1 1 5 2052 1 1 29 THR O O -4.238 -11.570 -0.938 1.00 . A A . 29 THR O 1 1 5 2053 1 1 29 THR OG1 O -2.762 -9.271 0.215 1.00 . A A . 29 THR OG1 1 1 5 2054 1 1 30 THR C C -4.850 -13.129 -4.882 1.00 . A A . 30 THR C 1 1 5 2055 1 1 30 THR CA C -5.042 -12.568 -3.469 1.00 . A A . 30 THR CA 1 1 5 2056 1 1 30 THR CB C -6.358 -11.782 -3.289 1.00 . A A . 30 THR CB 1 1 5 2057 1 1 30 THR CG2 C -6.439 -10.551 -4.199 1.00 . A A . 30 THR CG2 1 1 5 2058 1 1 30 THR H H -3.311 -11.451 -3.945 1.00 . A A . 30 THR H 1 1 5 2059 1 1 30 THR HA H -5.049 -13.411 -2.776 1.00 . A A . 30 THR HA 1 1 5 2060 1 1 30 THR HB H -6.426 -11.445 -2.253 1.00 . A A . 30 THR HB 1 1 5 2061 1 1 30 THR HG1 H -8.269 -12.167 -3.247 1.00 . A A . 30 THR HG1 1 1 5 2062 1 1 30 THR HG21 H -7.374 -10.022 -4.013 1.00 . A A . 30 THR HG21 1 1 5 2063 1 1 30 THR HG22 H -5.612 -9.872 -3.993 1.00 . A A . 30 THR HG22 1 1 5 2064 1 1 30 THR HG23 H -6.406 -10.847 -5.248 1.00 . A A . 30 THR HG23 1 1 5 2065 1 1 30 THR N N -3.900 -11.725 -3.159 1.00 . A A . 30 THR N 1 1 5 2066 1 1 30 THR O O -3.786 -12.969 -5.475 1.00 . A A . 30 THR O 1 1 5 2067 1 1 30 THR OG1 O -7.472 -12.621 -3.535 1.00 . A A . 30 THR OG1 1 1 5 2068 1 1 31 NH2 HN1 H -6.742 -13.803 -4.898 1.00 . A A . 31 NH2 HN1 1 1 5 2069 1 1 31 NH2 HN2 H -5.796 -14.177 -6.347 1.00 . A A . 31 NH2 HN2 1 1 5 2070 1 1 31 NH2 N N -5.872 -13.783 -5.422 1.00 . A A . 31 NH2 N 1 1 6 2071 1 1 1 PCA C C -3.749 7.617 8.859 1.00 . A A . 1 PCA C 1 1 6 2072 1 1 1 PCA CA C -4.291 8.120 10.202 1.00 . A A . 1 PCA CA 1 1 6 2073 1 1 1 PCA CB C -5.335 9.235 10.028 1.00 . A A . 1 PCA CB 1 1 6 2074 1 1 1 PCA CD C -3.247 10.073 10.855 1.00 . A A . 1 PCA CD 1 1 6 2075 1 1 1 PCA CG C -4.464 10.492 10.050 1.00 . A A . 1 PCA CG 1 1 6 2076 1 1 1 PCA HA H -4.720 7.281 10.749 1.00 . A A . 1 PCA HA 1 1 6 2077 1 1 1 PCA HB2 H -5.986 9.246 10.904 1.00 . A A . 1 PCA HB2 1 1 6 2078 1 1 1 PCA HB3 H -5.939 9.157 9.124 1.00 . A A . 1 PCA HB3 1 1 6 2079 1 1 1 PCA HG2 H -4.151 10.754 9.038 1.00 . A A . 1 PCA HG2 1 1 6 2080 1 1 1 PCA HG3 H -4.987 11.330 10.513 1.00 . A A . 1 PCA HG3 1 1 6 2081 1 1 1 PCA N N -3.223 8.745 10.968 1.00 . A A . 1 PCA N 1 1 6 2082 1 1 1 PCA O O -4.458 7.629 7.857 1.00 . A A . 1 PCA O 1 1 6 2083 1 1 1 PCA OE O -2.505 10.878 11.385 1.00 . A A . 1 PCA OE 1 1 6 2084 1 1 2 THR C C -0.832 5.668 7.921 1.00 . A A . 2 THR C 1 1 6 2085 1 1 2 THR CA C -1.776 6.832 7.616 1.00 . A A . 2 THR CA 1 1 6 2086 1 1 2 THR CB C -0.974 8.041 7.108 1.00 . A A . 2 THR CB 1 1 6 2087 1 1 2 THR CG2 C -1.872 9.147 6.547 1.00 . A A . 2 THR CG2 1 1 6 2088 1 1 2 THR H H -1.927 7.259 9.673 1.00 . A A . 2 THR H 1 1 6 2089 1 1 2 THR HA H -2.471 6.523 6.836 1.00 . A A . 2 THR HA 1 1 6 2090 1 1 2 THR HB H -0.307 7.706 6.314 1.00 . A A . 2 THR HB 1 1 6 2091 1 1 2 THR HG1 H 0.333 7.846 8.518 1.00 . A A . 2 THR HG1 1 1 6 2092 1 1 2 THR HG21 H -2.520 8.741 5.769 1.00 . A A . 2 THR HG21 1 1 6 2093 1 1 2 THR HG22 H -2.483 9.582 7.335 1.00 . A A . 2 THR HG22 1 1 6 2094 1 1 2 THR HG23 H -1.249 9.930 6.115 1.00 . A A . 2 THR HG23 1 1 6 2095 1 1 2 THR N N -2.480 7.204 8.832 1.00 . A A . 2 THR N 1 1 6 2096 1 1 2 THR O O 0.244 5.895 8.473 1.00 . A A . 2 THR O 1 1 6 2097 1 1 2 THR OG1 O -0.196 8.573 8.161 1.00 . A A . 2 THR OG1 1 1 6 2098 1 1 3 GLN C C 0.889 3.712 6.482 1.00 . A A . 3 GLN C 1 1 6 2099 1 1 3 GLN CA C -0.249 3.342 7.433 1.00 . A A . 3 GLN CA 1 1 6 2100 1 1 3 GLN CB C -0.937 2.105 6.848 1.00 . A A . 3 GLN CB 1 1 6 2101 1 1 3 GLN CD C -2.682 0.340 7.147 1.00 . A A . 3 GLN CD 1 1 6 2102 1 1 3 GLN CG C -2.057 1.550 7.722 1.00 . A A . 3 GLN CG 1 1 6 2103 1 1 3 GLN H H -2.116 4.325 7.107 1.00 . A A . 3 GLN H 1 1 6 2104 1 1 3 GLN HA H 0.157 3.110 8.419 1.00 . A A . 3 GLN HA 1 1 6 2105 1 1 3 GLN HB3 H -0.185 1.325 6.714 1.00 . A A . 3 GLN HB3 1 1 6 2106 1 1 3 GLN HE21 H -3.823 0.310 8.837 1.00 . A A . 3 GLN HE21 1 1 6 2107 1 1 3 GLN HE22 H -3.922 -1.020 7.741 1.00 . A A . 3 GLN HE22 1 1 6 2108 1 1 3 GLN HG3 H -2.915 2.197 7.841 1.00 . A A . 3 GLN HG3 1 1 6 2109 1 1 3 GLN N N -1.198 4.446 7.526 1.00 . A A . 3 GLN N 1 1 6 2110 1 1 3 GLN NE2 N -3.584 -0.143 7.969 1.00 . A A . 3 GLN NE2 1 1 6 2111 1 1 3 GLN O O 2.034 3.309 6.675 1.00 . A A . 3 GLN O 1 1 6 2112 1 1 3 GLN OE1 O -2.372 -0.145 6.060 1.00 . A A . 3 GLN OE1 1 1 6 2113 1 1 4 CYS C C 1.108 6.199 3.880 1.00 . A A . 4 CYS C 1 1 6 2114 1 1 4 CYS CA C 1.387 4.770 4.299 1.00 . A A . 4 CYS CA 1 1 6 2115 1 1 4 CYS CB C 1.106 3.850 3.112 1.00 . A A . 4 CYS CB 1 1 6 2116 1 1 4 CYS H H -0.424 4.753 5.338 1.00 . A A . 4 CYS H 1 1 6 2117 1 1 4 CYS HA H 2.435 4.680 4.589 1.00 . A A . 4 CYS HA 1 1 6 2118 1 1 4 CYS HB3 H 1.460 2.857 3.345 1.00 . A A . 4 CYS HB3 1 1 6 2119 1 1 4 CYS N N 0.528 4.425 5.412 1.00 . A A . 4 CYS N 1 1 6 2120 1 1 4 CYS O O 0.001 6.706 4.072 1.00 . A A . 4 CYS O 1 1 6 2121 1 1 4 CYS SG S -0.613 3.763 2.545 1.00 . A A . 4 CYS SG 1 1 6 2122 1 1 5 GLN C C 1.903 7.927 1.137 1.00 . A A . 5 GLN C 1 1 6 2123 1 1 5 GLN CA C 2.053 8.119 2.648 1.00 . A A . 5 GLN CA 1 1 6 2124 1 1 5 GLN CB C 3.320 8.919 2.971 1.00 . A A . 5 GLN CB 1 1 6 2125 1 1 5 GLN CD C 4.688 9.979 4.840 1.00 . A A . 5 GLN CD 1 1 6 2126 1 1 5 GLN CG C 3.494 9.095 4.487 1.00 . A A . 5 GLN CG 1 1 6 2127 1 1 5 GLN H H 2.975 6.280 3.124 1.00 . A A . 5 GLN H 1 1 6 2128 1 1 5 GLN HA H 1.191 8.678 3.014 1.00 . A A . 5 GLN HA 1 1 6 2129 1 1 5 GLN HB3 H 3.240 9.901 2.501 1.00 . A A . 5 GLN HB3 1 1 6 2130 1 1 5 GLN HE21 H 4.466 9.599 6.828 1.00 . A A . 5 GLN HE21 1 1 6 2131 1 1 5 GLN HE22 H 5.785 10.669 6.383 1.00 . A A . 5 GLN HE22 1 1 6 2132 1 1 5 GLN HG3 H 3.647 8.120 4.951 1.00 . A A . 5 GLN HG3 1 1 6 2133 1 1 5 GLN N N 2.122 6.820 3.287 1.00 . A A . 5 GLN N 1 1 6 2134 1 1 5 GLN NE2 N 4.997 10.092 6.128 1.00 . A A . 5 GLN NE2 1 1 6 2135 1 1 5 GLN O O 1.281 8.752 0.472 1.00 . A A . 5 GLN O 1 1 6 2136 1 1 5 GLN OE1 O 5.329 10.567 3.973 1.00 . A A . 5 GLN OE1 1 1 6 2137 1 1 6 SER C C 2.608 5.105 -1.108 1.00 . A A . 6 SER C 1 1 6 2138 1 1 6 SER CA C 2.373 6.572 -0.844 1.00 . A A . 6 SER CA 1 1 6 2139 1 1 6 SER CB C 3.351 7.417 -1.672 1.00 . A A . 6 SER CB 1 1 6 2140 1 1 6 SER H H 2.956 6.155 1.160 1.00 . A A . 6 SER H 1 1 6 2141 1 1 6 SER HA H 1.356 6.790 -1.178 1.00 . A A . 6 SER HA 1 1 6 2142 1 1 6 SER HB3 H 2.830 8.331 -1.917 1.00 . A A . 6 SER HB3 1 1 6 2143 1 1 6 SER HG H 4.407 7.726 -0.055 1.00 . A A . 6 SER HG 1 1 6 2144 1 1 6 SER N N 2.474 6.854 0.577 1.00 . A A . 6 SER N 1 1 6 2145 1 1 6 SER O O 2.957 4.332 -0.226 1.00 . A A . 6 SER O 1 1 6 2146 1 1 6 SER OG O 4.578 7.638 -1.000 1.00 . A A . 6 SER OG 1 1 6 2147 1 1 7 VAL C C 3.939 2.785 -2.374 1.00 . A A . 7 VAL C 1 1 6 2148 1 1 7 VAL CA C 2.583 3.365 -2.812 1.00 . A A . 7 VAL CA 1 1 6 2149 1 1 7 VAL CB C 2.331 3.359 -4.327 1.00 . A A . 7 VAL CB 1 1 6 2150 1 1 7 VAL CG1 C 3.410 4.089 -5.138 1.00 . A A . 7 VAL CG1 1 1 6 2151 1 1 7 VAL CG2 C 2.162 1.929 -4.810 1.00 . A A . 7 VAL CG2 1 1 6 2152 1 1 7 VAL H H 2.159 5.424 -3.048 1.00 . A A . 7 VAL H 1 1 6 2153 1 1 7 VAL HA H 1.806 2.783 -2.308 1.00 . A A . 7 VAL HA 1 1 6 2154 1 1 7 VAL HB H 1.381 3.865 -4.511 1.00 . A A . 7 VAL HB 1 1 6 2155 1 1 7 VAL HG11 H 3.127 4.093 -6.191 1.00 . A A . 7 VAL HG11 1 1 6 2156 1 1 7 VAL HG12 H 3.510 5.120 -4.802 1.00 . A A . 7 VAL HG12 1 1 6 2157 1 1 7 VAL HG13 H 4.369 3.586 -5.041 1.00 . A A . 7 VAL HG13 1 1 6 2158 1 1 7 VAL HG21 H 1.885 1.943 -5.862 1.00 . A A . 7 VAL HG21 1 1 6 2159 1 1 7 VAL HG22 H 3.093 1.385 -4.675 1.00 . A A . 7 VAL HG22 1 1 6 2160 1 1 7 VAL HG23 H 1.368 1.472 -4.225 1.00 . A A . 7 VAL HG23 1 1 6 2161 1 1 7 VAL N N 2.424 4.728 -2.366 1.00 . A A . 7 VAL N 1 1 6 2162 1 1 7 VAL O O 4.005 1.619 -1.999 1.00 . A A . 7 VAL O 1 1 6 2163 1 1 8 ARG C C 6.259 2.545 -0.496 1.00 . A A . 8 ARG C 1 1 6 2164 1 1 8 ARG CA C 6.314 3.321 -1.818 1.00 . A A . 8 ARG CA 1 1 6 2165 1 1 8 ARG CB C 7.058 4.643 -1.581 1.00 . A A . 8 ARG CB 1 1 6 2166 1 1 8 ARG CD C 7.882 6.803 -2.514 1.00 . A A . 8 ARG CD 1 1 6 2167 1 1 8 ARG CG C 7.344 5.414 -2.876 1.00 . A A . 8 ARG CG 1 1 6 2168 1 1 8 ARG CZ C 8.614 8.863 -3.705 1.00 . A A . 8 ARG CZ 1 1 6 2169 1 1 8 ARG H H 4.814 4.563 -2.651 1.00 . A A . 8 ARG H 1 1 6 2170 1 1 8 ARG HA H 6.866 2.729 -2.549 1.00 . A A . 8 ARG HA 1 1 6 2171 1 1 8 ARG HB3 H 8.006 4.426 -1.089 1.00 . A A . 8 ARG HB3 1 1 6 2172 1 1 8 ARG HD3 H 8.769 6.683 -1.887 1.00 . A A . 8 ARG HD3 1 1 6 2173 1 1 8 ARG HE H 8.174 7.083 -4.595 1.00 . A A . 8 ARG HE 1 1 6 2174 1 1 8 ARG HG3 H 6.433 5.532 -3.464 1.00 . A A . 8 ARG HG3 1 1 6 2175 1 1 8 ARG HH11 H 8.440 9.047 -1.689 1.00 . A A . 8 ARG HH11 1 1 6 2176 1 1 8 ARG HH12 H 8.973 10.490 -2.493 1.00 . A A . 8 ARG HH12 1 1 6 2177 1 1 8 ARG HH21 H 8.875 8.984 -5.730 1.00 . A A . 8 ARG HH21 1 1 6 2178 1 1 8 ARG HH22 H 9.220 10.445 -4.862 1.00 . A A . 8 ARG HH22 1 1 6 2179 1 1 8 ARG N N 4.985 3.620 -2.349 1.00 . A A . 8 ARG N 1 1 6 2180 1 1 8 ARG NE N 8.227 7.577 -3.716 1.00 . A A . 8 ARG NE 1 1 6 2181 1 1 8 ARG NH1 N 8.688 9.523 -2.545 1.00 . A A . 8 ARG NH1 1 1 6 2182 1 1 8 ARG NH2 N 8.927 9.479 -4.851 1.00 . A A . 8 ARG NH2 1 1 6 2183 1 1 8 ARG O O 6.929 1.527 -0.327 1.00 . A A . 8 ARG O 1 1 6 2184 1 1 9 ASP C C 4.789 1.022 1.583 1.00 . A A . 9 ASP C 1 1 6 2185 1 1 9 ASP CA C 5.296 2.449 1.762 1.00 . A A . 9 ASP CA 1 1 6 2186 1 1 9 ASP CB C 4.271 3.314 2.490 1.00 . A A . 9 ASP CB 1 1 6 2187 1 1 9 ASP CG C 4.787 4.699 2.830 1.00 . A A . 9 ASP CG 1 1 6 2188 1 1 9 ASP H H 4.852 3.828 0.265 1.00 . A A . 9 ASP H 1 1 6 2189 1 1 9 ASP HA H 6.240 2.444 2.312 1.00 . A A . 9 ASP HA 1 1 6 2190 1 1 9 ASP HB3 H 3.847 2.855 3.366 1.00 . A A . 9 ASP HB3 1 1 6 2191 1 1 9 ASP N N 5.466 3.043 0.454 1.00 . A A . 9 ASP N 1 1 6 2192 1 1 9 ASP O O 5.378 0.069 2.099 1.00 . A A . 9 ASP O 1 1 6 2193 1 1 9 ASP OD1 O 5.662 4.796 3.710 1.00 . A A . 9 ASP OD1 1 1 6 2194 1 1 9 ASP OD2 O 4.253 5.648 2.213 1.00 . A A . 9 ASP OD2 1 1 6 2195 1 1 10 CYS C C 4.336 -1.316 -0.170 1.00 . A A . 10 CYS C 1 1 6 2196 1 1 10 CYS CA C 3.257 -0.496 0.530 1.00 . A A . 10 CYS CA 1 1 6 2197 1 1 10 CYS CB C 1.923 -0.609 -0.220 1.00 . A A . 10 CYS CB 1 1 6 2198 1 1 10 CYS H H 3.330 1.641 0.295 1.00 . A A . 10 CYS H 1 1 6 2199 1 1 10 CYS HA H 3.121 -0.968 1.497 1.00 . A A . 10 CYS HA 1 1 6 2200 1 1 10 CYS HB3 H 2.239 -0.934 -1.165 1.00 . A A . 10 CYS HB3 1 1 6 2201 1 1 10 CYS N N 3.718 0.854 0.797 1.00 . A A . 10 CYS N 1 1 6 2202 1 1 10 CYS O O 4.452 -2.495 0.121 1.00 . A A . 10 CYS O 1 1 6 2203 1 1 10 CYS SG S 0.771 -1.876 0.383 1.00 . A A . 10 CYS SG 1 1 6 2204 1 1 11 GLN C C 7.145 -2.071 -0.827 1.00 . A A . 11 GLN C 1 1 6 2205 1 1 11 GLN CA C 6.142 -1.483 -1.819 1.00 . A A . 11 GLN CA 1 1 6 2206 1 1 11 GLN CB C 6.853 -0.616 -2.866 1.00 . A A . 11 GLN CB 1 1 6 2207 1 1 11 GLN CD C 6.625 0.690 -5.005 1.00 . A A . 11 GLN CD 1 1 6 2208 1 1 11 GLN CG C 5.945 -0.288 -4.055 1.00 . A A . 11 GLN CG 1 1 6 2209 1 1 11 GLN H H 4.958 0.239 -1.318 1.00 . A A . 11 GLN H 1 1 6 2210 1 1 11 GLN HA H 5.664 -2.299 -2.361 1.00 . A A . 11 GLN HA 1 1 6 2211 1 1 11 GLN HB3 H 7.715 -1.170 -3.243 1.00 . A A . 11 GLN HB3 1 1 6 2212 1 1 11 GLN HE21 H 7.907 -0.740 -5.675 1.00 . A A . 11 GLN HE21 1 1 6 2213 1 1 11 GLN HE22 H 8.088 0.857 -6.383 1.00 . A A . 11 GLN HE22 1 1 6 2214 1 1 11 GLN HG3 H 5.019 0.159 -3.703 1.00 . A A . 11 GLN HG3 1 1 6 2215 1 1 11 GLN N N 5.106 -0.740 -1.102 1.00 . A A . 11 GLN N 1 1 6 2216 1 1 11 GLN NE2 N 7.623 0.225 -5.748 1.00 . A A . 11 GLN NE2 1 1 6 2217 1 1 11 GLN O O 7.608 -3.194 -0.999 1.00 . A A . 11 GLN O 1 1 6 2218 1 1 11 GLN OE1 O 6.265 1.861 -5.067 1.00 . A A . 11 GLN OE1 1 1 6 2219 1 1 12 GLN C C 7.624 -3.074 1.951 1.00 . A A . 12 GLN C 1 1 6 2220 1 1 12 GLN CA C 8.303 -1.861 1.302 1.00 . A A . 12 GLN CA 1 1 6 2221 1 1 12 GLN CB C 8.629 -0.773 2.327 1.00 . A A . 12 GLN CB 1 1 6 2222 1 1 12 GLN CD C 10.846 0.471 2.160 1.00 . A A . 12 GLN CD 1 1 6 2223 1 1 12 GLN CG C 9.406 0.379 1.669 1.00 . A A . 12 GLN CG 1 1 6 2224 1 1 12 GLN H H 7.111 -0.377 0.309 1.00 . A A . 12 GLN H 1 1 6 2225 1 1 12 GLN HA H 9.251 -2.181 0.874 1.00 . A A . 12 GLN HA 1 1 6 2226 1 1 12 GLN HB3 H 9.213 -1.208 3.139 1.00 . A A . 12 GLN HB3 1 1 6 2227 1 1 12 GLN HE21 H 11.258 -1.426 1.545 1.00 . A A . 12 GLN HE21 1 1 6 2228 1 1 12 GLN HE22 H 12.578 -0.549 2.301 1.00 . A A . 12 GLN HE22 1 1 6 2229 1 1 12 GLN HG3 H 8.885 1.304 1.901 1.00 . A A . 12 GLN HG3 1 1 6 2230 1 1 12 GLN N N 7.477 -1.323 0.230 1.00 . A A . 12 GLN N 1 1 6 2231 1 1 12 GLN NE2 N 11.624 -0.592 1.979 1.00 . A A . 12 GLN NE2 1 1 6 2232 1 1 12 GLN O O 8.283 -4.074 2.232 1.00 . A A . 12 GLN O 1 1 6 2233 1 1 12 GLN OE1 O 11.266 1.491 2.694 1.00 . A A . 12 GLN OE1 1 1 6 2234 1 1 13 TYR C C 5.150 -5.225 1.979 1.00 . A A . 13 TYR C 1 1 6 2235 1 1 13 TYR CA C 5.557 -4.039 2.879 1.00 . A A . 13 TYR CA 1 1 6 2236 1 1 13 TYR CB C 4.320 -3.419 3.548 1.00 . A A . 13 TYR CB 1 1 6 2237 1 1 13 TYR CD1 C 5.538 -2.450 5.565 1.00 . A A . 13 TYR CD1 1 1 6 2238 1 1 13 TYR CD2 C 3.846 -1.097 4.466 1.00 . A A . 13 TYR CD2 1 1 6 2239 1 1 13 TYR CE1 C 5.765 -1.410 6.485 1.00 . A A . 13 TYR CE1 1 1 6 2240 1 1 13 TYR CE2 C 4.078 -0.054 5.379 1.00 . A A . 13 TYR CE2 1 1 6 2241 1 1 13 TYR CG C 4.593 -2.289 4.534 1.00 . A A . 13 TYR CG 1 1 6 2242 1 1 13 TYR CZ C 5.044 -0.208 6.385 1.00 . A A . 13 TYR CZ 1 1 6 2243 1 1 13 TYR H H 5.835 -2.121 1.962 1.00 . A A . 13 TYR H 1 1 6 2244 1 1 13 TYR HA H 6.185 -4.461 3.664 1.00 . A A . 13 TYR HA 1 1 6 2245 1 1 13 TYR HB3 H 3.793 -4.211 4.082 1.00 . A A . 13 TYR HB3 1 1 6 2246 1 1 13 TYR HD1 H 6.081 -3.377 5.673 1.00 . A A . 13 TYR HD1 1 1 6 2247 1 1 13 TYR HD2 H 3.092 -0.963 3.714 1.00 . A A . 13 TYR HD2 1 1 6 2248 1 1 13 TYR HE1 H 6.487 -1.537 7.277 1.00 . A A . 13 TYR HE1 1 1 6 2249 1 1 13 TYR HE2 H 3.508 0.860 5.303 1.00 . A A . 13 TYR HE2 1 1 6 2250 1 1 13 TYR HH H 4.717 1.567 7.117 1.00 . A A . 13 TYR HH 1 1 6 2251 1 1 13 TYR N N 6.314 -2.986 2.201 1.00 . A A . 13 TYR N 1 1 6 2252 1 1 13 TYR O O 4.850 -6.299 2.499 1.00 . A A . 13 TYR O 1 1 6 2253 1 1 13 TYR OH O 5.253 0.790 7.290 1.00 . A A . 13 TYR OH 1 1 6 2254 1 1 14 CYS C C 5.154 -5.879 -1.630 1.00 . A A . 14 CYS C 1 1 6 2255 1 1 14 CYS CA C 4.440 -5.961 -0.290 1.00 . A A . 14 CYS CA 1 1 6 2256 1 1 14 CYS CB C 2.973 -5.556 -0.509 1.00 . A A . 14 CYS CB 1 1 6 2257 1 1 14 CYS H H 5.379 -4.156 0.285 1.00 . A A . 14 CYS H 1 1 6 2258 1 1 14 CYS HA H 4.480 -6.988 0.080 1.00 . A A . 14 CYS HA 1 1 6 2259 1 1 14 CYS HB3 H 2.582 -5.970 -1.444 1.00 . A A . 14 CYS HB3 1 1 6 2260 1 1 14 CYS N N 5.086 -5.051 0.656 1.00 . A A . 14 CYS N 1 1 6 2261 1 1 14 CYS O O 5.408 -4.786 -2.124 1.00 . A A . 14 CYS O 1 1 6 2262 1 1 14 CYS SG S 1.844 -6.086 0.804 1.00 . A A . 14 CYS SG 1 1 6 2263 1 1 15 LEU C C 5.150 -6.388 -4.623 1.00 . A A . 15 LEU C 1 1 6 2264 1 1 15 LEU CA C 6.046 -7.058 -3.575 1.00 . A A . 15 LEU CA 1 1 6 2265 1 1 15 LEU CB C 6.376 -8.503 -3.983 1.00 . A A . 15 LEU CB 1 1 6 2266 1 1 15 LEU CD1 C 8.923 -8.415 -3.841 1.00 . A A . 15 LEU CD1 1 1 6 2267 1 1 15 LEU CD2 C 7.614 -9.098 -1.810 1.00 . A A . 15 LEU CD2 1 1 6 2268 1 1 15 LEU CG C 7.644 -9.101 -3.342 1.00 . A A . 15 LEU CG 1 1 6 2269 1 1 15 LEU H H 5.203 -7.899 -1.805 1.00 . A A . 15 LEU H 1 1 6 2270 1 1 15 LEU HA H 6.968 -6.477 -3.535 1.00 . A A . 15 LEU HA 1 1 6 2271 1 1 15 LEU HB3 H 6.523 -8.529 -5.064 1.00 . A A . 15 LEU HB3 1 1 6 2272 1 1 15 LEU HD11 H 9.793 -8.972 -3.490 1.00 . A A . 15 LEU HD11 1 1 6 2273 1 1 15 LEU HD12 H 8.937 -8.399 -4.932 1.00 . A A . 15 LEU HD12 1 1 6 2274 1 1 15 LEU HD13 H 8.994 -7.394 -3.466 1.00 . A A . 15 LEU HD13 1 1 6 2275 1 1 15 LEU HD21 H 8.464 -9.667 -1.432 1.00 . A A . 15 LEU HD21 1 1 6 2276 1 1 15 LEU HD22 H 7.682 -8.081 -1.425 1.00 . A A . 15 LEU HD22 1 1 6 2277 1 1 15 LEU HD23 H 6.696 -9.564 -1.454 1.00 . A A . 15 LEU HD23 1 1 6 2278 1 1 15 LEU HG H 7.694 -10.143 -3.665 1.00 . A A . 15 LEU HG 1 1 6 2279 1 1 15 LEU N N 5.417 -7.025 -2.261 1.00 . A A . 15 LEU N 1 1 6 2280 1 1 15 LEU O O 5.653 -5.657 -5.472 1.00 . A A . 15 LEU O 1 1 6 2281 1 1 16 THR C C 1.694 -5.417 -4.869 1.00 . A A . 16 THR C 1 1 6 2282 1 1 16 THR CA C 2.883 -6.108 -5.552 1.00 . A A . 16 THR CA 1 1 6 2283 1 1 16 THR CB C 2.418 -7.229 -6.499 1.00 . A A . 16 THR CB 1 1 6 2284 1 1 16 THR CG2 C 1.658 -6.645 -7.693 1.00 . A A . 16 THR CG2 1 1 6 2285 1 1 16 THR H H 3.482 -7.240 -3.844 1.00 . A A . 16 THR H 1 1 6 2286 1 1 16 THR HA H 3.366 -5.352 -6.173 1.00 . A A . 16 THR HA 1 1 6 2287 1 1 16 THR HB H 1.773 -7.929 -5.964 1.00 . A A . 16 THR HB 1 1 6 2288 1 1 16 THR HG1 H 4.054 -8.261 -6.266 1.00 . A A . 16 THR HG1 1 1 6 2289 1 1 16 THR HG21 H 0.782 -6.092 -7.354 1.00 . A A . 16 THR HG21 1 1 6 2290 1 1 16 THR HG22 H 2.310 -5.970 -8.247 1.00 . A A . 16 THR HG22 1 1 6 2291 1 1 16 THR HG23 H 1.339 -7.453 -8.349 1.00 . A A . 16 THR HG23 1 1 6 2292 1 1 16 THR N N 3.835 -6.645 -4.579 1.00 . A A . 16 THR N 1 1 6 2293 1 1 16 THR O O 0.608 -5.995 -4.762 1.00 . A A . 16 THR O 1 1 6 2294 1 1 16 THR OG1 O 3.535 -7.933 -7.002 1.00 . A A . 16 THR OG1 1 1 6 2295 1 1 17 PRO C C -0.340 -3.139 -4.802 1.00 . A A . 17 PRO C 1 1 6 2296 1 1 17 PRO CA C 0.778 -3.454 -3.809 1.00 . A A . 17 PRO CA 1 1 6 2297 1 1 17 PRO CB C 1.372 -2.242 -3.095 1.00 . A A . 17 PRO CB 1 1 6 2298 1 1 17 PRO CD C 3.067 -3.699 -3.755 1.00 . A A . 17 PRO CD 1 1 6 2299 1 1 17 PRO CG C 2.864 -2.269 -3.355 1.00 . A A . 17 PRO CG 1 1 6 2300 1 1 17 PRO HA H 0.442 -4.116 -3.021 1.00 . A A . 17 PRO HA 1 1 6 2301 1 1 17 PRO HB3 H 1.132 -2.349 -2.052 1.00 . A A . 17 PRO HB3 1 1 6 2302 1 1 17 PRO HD3 H 3.030 -4.140 -2.787 1.00 . A A . 17 PRO HD3 1 1 6 2303 1 1 17 PRO HG3 H 3.446 -2.066 -2.470 1.00 . A A . 17 PRO HG3 1 1 6 2304 1 1 17 PRO N N 1.869 -4.178 -4.392 1.00 . A A . 17 PRO N 1 1 6 2305 1 1 17 PRO O O -0.118 -3.039 -6.006 1.00 . A A . 17 PRO O 1 1 6 2306 1 1 18 ASP C C -2.568 -0.970 -4.991 1.00 . A A . 18 ASP C 1 1 6 2307 1 1 18 ASP CA C -2.717 -2.489 -4.953 1.00 . A A . 18 ASP CA 1 1 6 2308 1 1 18 ASP CB C -3.975 -2.912 -4.170 1.00 . A A . 18 ASP CB 1 1 6 2309 1 1 18 ASP CG C -5.277 -2.595 -4.886 1.00 . A A . 18 ASP CG 1 1 6 2310 1 1 18 ASP H H -1.606 -3.019 -3.258 1.00 . A A . 18 ASP H 1 1 6 2311 1 1 18 ASP HA H -2.745 -2.888 -5.967 1.00 . A A . 18 ASP HA 1 1 6 2312 1 1 18 ASP HB3 H -3.986 -2.382 -3.229 1.00 . A A . 18 ASP HB3 1 1 6 2313 1 1 18 ASP N N -1.549 -2.995 -4.264 1.00 . A A . 18 ASP N 1 1 6 2314 1 1 18 ASP O O -2.509 -0.367 -6.059 1.00 . A A . 18 ASP O 1 1 6 2315 1 1 18 ASP OD1 O -5.268 -2.665 -6.132 1.00 . A A . 18 ASP OD1 1 1 6 2316 1 1 18 ASP OD2 O -6.271 -2.291 -4.183 1.00 . A A . 18 ASP OD2 1 1 6 2317 1 1 19 ARG C C -1.923 1.393 -2.239 1.00 . A A . 19 ARG C 1 1 6 2318 1 1 19 ARG CA C -2.412 1.088 -3.650 1.00 . A A . 19 ARG CA 1 1 6 2319 1 1 19 ARG CB C -3.792 1.748 -3.850 1.00 . A A . 19 ARG CB 1 1 6 2320 1 1 19 ARG CD C -6.365 1.317 -4.064 1.00 . A A . 19 ARG CD 1 1 6 2321 1 1 19 ARG CG C -4.976 0.815 -3.641 1.00 . A A . 19 ARG CG 1 1 6 2322 1 1 19 ARG CZ C -8.125 -0.136 -2.995 1.00 . A A . 19 ARG CZ 1 1 6 2323 1 1 19 ARG H H -2.650 -0.872 -2.942 1.00 . A A . 19 ARG H 1 1 6 2324 1 1 19 ARG HA H -1.696 1.494 -4.369 1.00 . A A . 19 ARG HA 1 1 6 2325 1 1 19 ARG HB3 H -3.848 2.235 -4.824 1.00 . A A . 19 ARG HB3 1 1 6 2326 1 1 19 ARG HD3 H -6.317 1.618 -5.111 1.00 . A A . 19 ARG HD3 1 1 6 2327 1 1 19 ARG HE H -6.814 -0.670 -4.350 1.00 . A A . 19 ARG HE 1 1 6 2328 1 1 19 ARG HG3 H -4.939 0.465 -2.618 1.00 . A A . 19 ARG HG3 1 1 6 2329 1 1 19 ARG HH11 H -8.724 1.771 -2.664 1.00 . A A . 19 ARG HH11 1 1 6 2330 1 1 19 ARG HH12 H -9.352 0.609 -1.514 1.00 . A A . 19 ARG HH12 1 1 6 2331 1 1 19 ARG HH21 H -7.627 -2.066 -3.188 1.00 . A A . 19 ARG HH21 1 1 6 2332 1 1 19 ARG HH22 H -8.888 -1.769 -1.980 1.00 . A A . 19 ARG HH22 1 1 6 2333 1 1 19 ARG N N -2.506 -0.352 -3.805 1.00 . A A . 19 ARG N 1 1 6 2334 1 1 19 ARG NE N -7.253 0.162 -3.964 1.00 . A A . 19 ARG NE 1 1 6 2335 1 1 19 ARG NH1 N -8.794 0.819 -2.341 1.00 . A A . 19 ARG NH1 1 1 6 2336 1 1 19 ARG NH2 N -8.275 -1.428 -2.702 1.00 . A A . 19 ARG NH2 1 1 6 2337 1 1 19 ARG O O -2.123 0.592 -1.332 1.00 . A A . 19 ARG O 1 1 6 2338 1 1 20 CYS C C -2.917 4.090 -0.984 1.00 . A A . 20 CYS C 1 1 6 2339 1 1 20 CYS CA C -1.627 3.303 -0.781 1.00 . A A . 20 CYS CA 1 1 6 2340 1 1 20 CYS CB C -0.465 4.241 -0.467 1.00 . A A . 20 CYS CB 1 1 6 2341 1 1 20 CYS H H -1.298 3.202 -2.845 1.00 . A A . 20 CYS H 1 1 6 2342 1 1 20 CYS HA H -1.737 2.607 0.047 1.00 . A A . 20 CYS HA 1 1 6 2343 1 1 20 CYS HB3 H -0.339 4.938 -1.293 1.00 . A A . 20 CYS HB3 1 1 6 2344 1 1 20 CYS N N -1.404 2.604 -2.036 1.00 . A A . 20 CYS N 1 1 6 2345 1 1 20 CYS O O -3.005 4.867 -1.936 1.00 . A A . 20 CYS O 1 1 6 2346 1 1 20 CYS SG S -0.744 5.200 1.042 1.00 . A A . 20 CYS SG 1 1 6 2347 1 1 21 SER C C -6.078 4.314 0.867 1.00 . A A . 21 SER C 1 1 6 2348 1 1 21 SER CA C -5.282 4.379 -0.433 1.00 . A A . 21 SER CA 1 1 6 2349 1 1 21 SER CB C -5.952 3.620 -1.587 1.00 . A A . 21 SER CB 1 1 6 2350 1 1 21 SER H H -3.894 3.137 0.543 1.00 . A A . 21 SER H 1 1 6 2351 1 1 21 SER HA H -5.187 5.435 -0.695 1.00 . A A . 21 SER HA 1 1 6 2352 1 1 21 SER HB3 H -7.028 3.695 -1.458 1.00 . A A . 21 SER HB3 1 1 6 2353 1 1 21 SER HG H -4.678 4.563 -2.729 1.00 . A A . 21 SER HG 1 1 6 2354 1 1 21 SER N N -3.964 3.818 -0.208 1.00 . A A . 21 SER N 1 1 6 2355 1 1 21 SER O O -5.888 3.385 1.641 1.00 . A A . 21 SER O 1 1 6 2356 1 1 21 SER OG O -5.601 4.273 -2.790 1.00 . A A . 21 SER OG 1 1 6 2357 1 1 22 TYR C C -6.706 5.283 3.606 1.00 . A A . 22 TYR C 1 1 6 2358 1 1 22 TYR CA C -7.655 5.428 2.406 1.00 . A A . 22 TYR CA 1 1 6 2359 1 1 22 TYR CB C -8.813 4.417 2.464 1.00 . A A . 22 TYR CB 1 1 6 2360 1 1 22 TYR CD1 C -9.761 3.915 0.164 1.00 . A A . 22 TYR CD1 1 1 6 2361 1 1 22 TYR CD2 C -11.001 5.394 1.646 1.00 . A A . 22 TYR CD2 1 1 6 2362 1 1 22 TYR CE1 C -10.777 4.027 -0.799 1.00 . A A . 22 TYR CE1 1 1 6 2363 1 1 22 TYR CE2 C -12.020 5.506 0.682 1.00 . A A . 22 TYR CE2 1 1 6 2364 1 1 22 TYR CG C -9.872 4.593 1.393 1.00 . A A . 22 TYR CG 1 1 6 2365 1 1 22 TYR CZ C -11.908 4.817 -0.539 1.00 . A A . 22 TYR CZ 1 1 6 2366 1 1 22 TYR H H -7.054 6.042 0.458 1.00 . A A . 22 TYR H 1 1 6 2367 1 1 22 TYR HA H -8.084 6.430 2.454 1.00 . A A . 22 TYR HA 1 1 6 2368 1 1 22 TYR HB3 H -9.305 4.515 3.433 1.00 . A A . 22 TYR HB3 1 1 6 2369 1 1 22 TYR HD1 H -8.898 3.306 -0.041 1.00 . A A . 22 TYR HD1 1 1 6 2370 1 1 22 TYR HD2 H -11.100 5.913 2.589 1.00 . A A . 22 TYR HD2 1 1 6 2371 1 1 22 TYR HE1 H -10.697 3.506 -1.741 1.00 . A A . 22 TYR HE1 1 1 6 2372 1 1 22 TYR HE2 H -12.888 6.112 0.892 1.00 . A A . 22 TYR HE2 1 1 6 2373 1 1 22 TYR HH H -13.626 5.465 -1.200 1.00 . A A . 22 TYR HH 1 1 6 2374 1 1 22 TYR N N -6.932 5.307 1.138 1.00 . A A . 22 TYR N 1 1 6 2375 1 1 22 TYR O O -6.999 4.563 4.558 1.00 . A A . 22 TYR O 1 1 6 2376 1 1 22 TYR OH O -12.894 4.908 -1.474 1.00 . A A . 22 TYR OH 1 1 6 2377 1 1 23 GLY C C -4.079 4.442 4.922 1.00 . A A . 23 GLY C 1 1 6 2378 1 1 23 GLY CA C -4.503 5.871 4.567 1.00 . A A . 23 GLY CA 1 1 6 2379 1 1 23 GLY H H -5.356 6.505 2.725 1.00 . A A . 23 GLY H 1 1 6 2380 1 1 23 GLY HA2 H -3.626 6.412 4.213 1.00 . A A . 23 GLY HA2 1 1 6 2381 1 1 23 GLY HA3 H -4.875 6.363 5.467 1.00 . A A . 23 GLY HA3 1 1 6 2382 1 1 23 GLY N N -5.538 5.934 3.535 1.00 . A A . 23 GLY N 1 1 6 2383 1 1 23 GLY O O -3.545 4.207 6.003 1.00 . A A . 23 GLY O 1 1 6 2384 1 1 24 THR C C -3.237 1.586 3.031 1.00 . A A . 24 THR C 1 1 6 2385 1 1 24 THR CA C -4.101 2.067 4.193 1.00 . A A . 24 THR CA 1 1 6 2386 1 1 24 THR CB C -5.472 1.369 4.202 1.00 . A A . 24 THR CB 1 1 6 2387 1 1 24 THR CG2 C -5.374 -0.137 4.469 1.00 . A A . 24 THR CG2 1 1 6 2388 1 1 24 THR H H -4.697 3.754 3.119 1.00 . A A . 24 THR H 1 1 6 2389 1 1 24 THR HA H -3.599 1.883 5.138 1.00 . A A . 24 THR HA 1 1 6 2390 1 1 24 THR HB H -5.957 1.502 3.236 1.00 . A A . 24 THR HB 1 1 6 2391 1 1 24 THR HG1 H -6.460 2.866 4.986 1.00 . A A . 24 THR HG1 1 1 6 2392 1 1 24 THR HG21 H -4.938 -0.314 5.451 1.00 . A A . 24 THR HG21 1 1 6 2393 1 1 24 THR HG22 H -6.374 -0.569 4.447 1.00 . A A . 24 THR HG22 1 1 6 2394 1 1 24 THR HG23 H -4.766 -0.627 3.708 1.00 . A A . 24 THR HG23 1 1 6 2395 1 1 24 THR N N -4.303 3.492 4.011 1.00 . A A . 24 THR N 1 1 6 2396 1 1 24 THR O O -3.473 1.993 1.894 1.00 . A A . 24 THR O 1 1 6 2397 1 1 24 THR OG1 O -6.293 1.937 5.203 1.00 . A A . 24 THR OG1 1 1 6 2398 1 1 25 CYS C C -2.254 -1.201 1.874 1.00 . A A . 25 CYS C 1 1 6 2399 1 1 25 CYS CA C -1.506 0.096 2.207 1.00 . A A . 25 CYS CA 1 1 6 2400 1 1 25 CYS CB C -0.008 -0.043 2.525 1.00 . A A . 25 CYS CB 1 1 6 2401 1 1 25 CYS H H -2.127 0.376 4.233 1.00 . A A . 25 CYS H 1 1 6 2402 1 1 25 CYS HA H -1.531 0.730 1.323 1.00 . A A . 25 CYS HA 1 1 6 2403 1 1 25 CYS HB3 H 0.221 0.376 3.502 1.00 . A A . 25 CYS HB3 1 1 6 2404 1 1 25 CYS N N -2.236 0.744 3.291 1.00 . A A . 25 CYS N 1 1 6 2405 1 1 25 CYS O O -2.449 -2.064 2.726 1.00 . A A . 25 CYS O 1 1 6 2406 1 1 25 CYS SG S 0.687 -1.689 2.434 1.00 . A A . 25 CYS SG 1 1 6 2407 1 1 26 TYR C C -2.644 -3.151 -0.830 1.00 . A A . 26 TYR C 1 1 6 2408 1 1 26 TYR CA C -3.558 -2.358 0.094 1.00 . A A . 26 TYR CA 1 1 6 2409 1 1 26 TYR CB C -4.684 -1.752 -0.750 1.00 . A A . 26 TYR CB 1 1 6 2410 1 1 26 TYR CD1 C -6.983 -2.074 0.218 1.00 . A A . 26 TYR CD1 1 1 6 2411 1 1 26 TYR CD2 C -5.993 0.146 0.282 1.00 . A A . 26 TYR CD2 1 1 6 2412 1 1 26 TYR CE1 C -8.250 -1.520 0.465 1.00 . A A . 26 TYR CE1 1 1 6 2413 1 1 26 TYR CE2 C -7.258 0.690 0.562 1.00 . A A . 26 TYR CE2 1 1 6 2414 1 1 26 TYR CG C -5.873 -1.229 0.023 1.00 . A A . 26 TYR CG 1 1 6 2415 1 1 26 TYR CZ C -8.394 -0.132 0.589 1.00 . A A . 26 TYR CZ 1 1 6 2416 1 1 26 TYR H H -2.520 -0.536 -0.003 1.00 . A A . 26 TYR H 1 1 6 2417 1 1 26 TYR HA H -3.967 -3.000 0.876 1.00 . A A . 26 TYR HA 1 1 6 2418 1 1 26 TYR HB3 H -5.077 -2.529 -1.402 1.00 . A A . 26 TYR HB3 1 1 6 2419 1 1 26 TYR HD1 H -6.895 -3.135 0.030 1.00 . A A . 26 TYR HD1 1 1 6 2420 1 1 26 TYR HD2 H -5.143 0.799 0.146 1.00 . A A . 26 TYR HD2 1 1 6 2421 1 1 26 TYR HE1 H -9.121 -2.159 0.486 1.00 . A A . 26 TYR HE1 1 1 6 2422 1 1 26 TYR HE2 H -7.371 1.756 0.625 1.00 . A A . 26 TYR HE2 1 1 6 2423 1 1 26 TYR HH H -9.776 1.209 0.835 1.00 . A A . 26 TYR HH 1 1 6 2424 1 1 26 TYR N N -2.773 -1.270 0.649 1.00 . A A . 26 TYR N 1 1 6 2425 1 1 26 TYR O O -1.900 -2.520 -1.584 1.00 . A A . 26 TYR O 1 1 6 2426 1 1 26 TYR OH O -9.604 0.427 0.301 1.00 . A A . 26 TYR OH 1 1 6 2427 1 1 27 CYS C C -2.656 -6.280 -2.531 1.00 . A A . 27 CYS C 1 1 6 2428 1 1 27 CYS CA C -1.858 -5.348 -1.632 1.00 . A A . 27 CYS CA 1 1 6 2429 1 1 27 CYS CB C -0.827 -6.113 -0.794 1.00 . A A . 27 CYS CB 1 1 6 2430 1 1 27 CYS H H -3.353 -4.960 -0.194 1.00 . A A . 27 CYS H 1 1 6 2431 1 1 27 CYS HA H -1.309 -4.714 -2.299 1.00 . A A . 27 CYS HA 1 1 6 2432 1 1 27 CYS HB3 H -0.096 -6.543 -1.477 1.00 . A A . 27 CYS HB3 1 1 6 2433 1 1 27 CYS N N -2.710 -4.492 -0.812 1.00 . A A . 27 CYS N 1 1 6 2434 1 1 27 CYS O O -3.650 -6.861 -2.097 1.00 . A A . 27 CYS O 1 1 6 2435 1 1 27 CYS SG S 0.091 -5.071 0.357 1.00 . A A . 27 CYS SG 1 1 6 2436 1 1 28 LYS C C -2.221 -8.808 -4.271 1.00 . A A . 28 LYS C 1 1 6 2437 1 1 28 LYS CA C -2.760 -7.442 -4.696 1.00 . A A . 28 LYS CA 1 1 6 2438 1 1 28 LYS CB C -2.396 -7.072 -6.143 1.00 . A A . 28 LYS CB 1 1 6 2439 1 1 28 LYS CD C -4.470 -6.462 -7.429 1.00 . A A . 28 LYS CD 1 1 6 2440 1 1 28 LYS CE C -5.585 -5.437 -7.691 1.00 . A A . 28 LYS CE 1 1 6 2441 1 1 28 LYS CG C -3.261 -5.909 -6.657 1.00 . A A . 28 LYS CG 1 1 6 2442 1 1 28 LYS H H -1.320 -6.037 -4.053 1.00 . A A . 28 LYS H 1 1 6 2443 1 1 28 LYS HA H -3.848 -7.469 -4.612 1.00 . A A . 28 LYS HA 1 1 6 2444 1 1 28 LYS HB3 H -2.531 -7.937 -6.794 1.00 . A A . 28 LYS HB3 1 1 6 2445 1 1 28 LYS HD3 H -4.912 -7.283 -6.860 1.00 . A A . 28 LYS HD3 1 1 6 2446 1 1 28 LYS HE3 H -6.130 -5.249 -6.762 1.00 . A A . 28 LYS HE3 1 1 6 2447 1 1 28 LYS HG3 H -2.648 -5.294 -7.318 1.00 . A A . 28 LYS HG3 1 1 6 2448 1 1 28 LYS HZ1 H -5.853 -3.602 -8.569 1.00 . A A . 28 LYS HZ1 1 1 6 2449 1 1 28 LYS HZ2 H -4.761 -3.592 -7.399 1.00 . A A . 28 LYS HZ2 1 1 6 2450 1 1 28 LYS HZ3 H -4.358 -4.241 -8.884 1.00 . A A . 28 LYS HZ3 1 1 6 2451 1 1 28 LYS N N -2.205 -6.457 -3.780 1.00 . A A . 28 LYS N 1 1 6 2452 1 1 28 LYS NZ N -5.088 -4.142 -8.196 1.00 . A A . 28 LYS NZ 1 1 6 2453 1 1 28 LYS O O -1.368 -9.403 -4.927 1.00 . A A . 28 LYS O 1 1 6 2454 1 1 29 THR C C -3.402 -11.030 -1.629 1.00 . A A . 29 THR C 1 1 6 2455 1 1 29 THR CA C -2.251 -10.520 -2.498 1.00 . A A . 29 THR CA 1 1 6 2456 1 1 29 THR CB C -0.943 -10.288 -1.715 1.00 . A A . 29 THR CB 1 1 6 2457 1 1 29 THR CG2 C -0.255 -11.608 -1.358 1.00 . A A . 29 THR CG2 1 1 6 2458 1 1 29 THR H H -3.322 -8.677 -2.597 1.00 . A A . 29 THR H 1 1 6 2459 1 1 29 THR HA H -2.066 -11.260 -3.278 1.00 . A A . 29 THR HA 1 1 6 2460 1 1 29 THR HB H -1.155 -9.736 -0.795 1.00 . A A . 29 THR HB 1 1 6 2461 1 1 29 THR HG1 H -0.195 -9.701 -3.422 1.00 . A A . 29 THR HG1 1 1 6 2462 1 1 29 THR HG21 H -0.014 -12.162 -2.266 1.00 . A A . 29 THR HG21 1 1 6 2463 1 1 29 THR HG22 H 0.668 -11.399 -0.816 1.00 . A A . 29 THR HG22 1 1 6 2464 1 1 29 THR HG23 H -0.901 -12.217 -0.726 1.00 . A A . 29 THR HG23 1 1 6 2465 1 1 29 THR N N -2.685 -9.276 -3.114 1.00 . A A . 29 THR N 1 1 6 2466 1 1 29 THR O O -3.275 -11.178 -0.415 1.00 . A A . 29 THR O 1 1 6 2467 1 1 29 THR OG1 O -0.034 -9.520 -2.485 1.00 . A A . 29 THR OG1 1 1 6 2468 1 1 30 THR C C -5.876 -12.955 -1.035 1.00 . A A . 30 THR C 1 1 6 2469 1 1 30 THR CA C -5.833 -11.542 -1.635 1.00 . A A . 30 THR CA 1 1 6 2470 1 1 30 THR CB C -6.920 -11.321 -2.703 1.00 . A A . 30 THR CB 1 1 6 2471 1 1 30 THR CG2 C -8.276 -10.994 -2.071 1.00 . A A . 30 THR CG2 1 1 6 2472 1 1 30 THR H H -4.626 -10.998 -3.242 1.00 . A A . 30 THR H 1 1 6 2473 1 1 30 THR HA H -5.981 -10.817 -0.833 1.00 . A A . 30 THR HA 1 1 6 2474 1 1 30 THR HB H -7.019 -12.213 -3.325 1.00 . A A . 30 THR HB 1 1 6 2475 1 1 30 THR HG1 H -7.224 -10.102 -4.196 1.00 . A A . 30 THR HG1 1 1 6 2476 1 1 30 THR HG21 H -8.588 -11.809 -1.415 1.00 . A A . 30 THR HG21 1 1 6 2477 1 1 30 THR HG22 H -8.207 -10.073 -1.489 1.00 . A A . 30 THR HG22 1 1 6 2478 1 1 30 THR HG23 H -9.027 -10.866 -2.850 1.00 . A A . 30 THR HG23 1 1 6 2479 1 1 30 THR N N -4.554 -11.253 -2.266 1.00 . A A . 30 THR N 1 1 6 2480 1 1 30 THR O O -6.665 -13.798 -1.455 1.00 . A A . 30 THR O 1 1 6 2481 1 1 30 THR OG1 O -6.529 -10.250 -3.550 1.00 . A A . 30 THR OG1 1 1 6 2482 1 1 31 NH2 HN1 H -4.370 -12.523 0.249 1.00 . A A . 31 NH2 HN1 1 1 6 2483 1 1 31 NH2 HN2 H -5.043 -14.146 0.381 1.00 . A A . 31 NH2 HN2 1 1 6 2484 1 1 31 NH2 N N -5.036 -13.231 -0.039 1.00 . A A . 31 NH2 N 1 1 7 2485 1 1 1 PCA C C -0.105 8.847 7.502 1.00 . A A . 1 PCA C 1 1 7 2486 1 1 1 PCA CA C 0.692 9.769 6.572 1.00 . A A . 1 PCA CA 1 1 7 2487 1 1 1 PCA CB C 0.583 11.246 6.985 1.00 . A A . 1 PCA CB 1 1 7 2488 1 1 1 PCA CD C -0.710 10.753 5.028 1.00 . A A . 1 PCA CD 1 1 7 2489 1 1 1 PCA CG C -0.668 11.688 6.223 1.00 . A A . 1 PCA CG 1 1 7 2490 1 1 1 PCA HA H 1.735 9.450 6.560 1.00 . A A . 1 PCA HA 1 1 7 2491 1 1 1 PCA HB2 H 1.444 11.786 6.590 1.00 . A A . 1 PCA HB2 1 1 7 2492 1 1 1 PCA HB3 H 0.504 11.414 8.059 1.00 . A A . 1 PCA HB3 1 1 7 2493 1 1 1 PCA HG2 H -1.559 11.529 6.832 1.00 . A A . 1 PCA HG2 1 1 7 2494 1 1 1 PCA HG3 H -0.598 12.733 5.918 1.00 . A A . 1 PCA HG3 1 1 7 2495 1 1 1 PCA N N 0.128 9.738 5.233 1.00 . A A . 1 PCA N 1 1 7 2496 1 1 1 PCA O O -0.251 9.149 8.684 1.00 . A A . 1 PCA O 1 1 7 2497 1 1 1 PCA OE O -1.307 11.028 4.003 1.00 . A A . 1 PCA OE 1 1 7 2498 1 1 2 THR C C -0.631 5.480 7.815 1.00 . A A . 2 THR C 1 1 7 2499 1 1 2 THR CA C -1.425 6.783 7.724 1.00 . A A . 2 THR CA 1 1 7 2500 1 1 2 THR CB C -2.827 6.704 7.097 1.00 . A A . 2 THR CB 1 1 7 2501 1 1 2 THR CG2 C -3.830 6.025 8.038 1.00 . A A . 2 THR CG2 1 1 7 2502 1 1 2 THR H H -0.465 7.551 5.982 1.00 . A A . 2 THR H 1 1 7 2503 1 1 2 THR HA H -1.568 7.094 8.751 1.00 . A A . 2 THR HA 1 1 7 2504 1 1 2 THR HB H -2.760 6.192 6.140 1.00 . A A . 2 THR HB 1 1 7 2505 1 1 2 THR HG1 H -4.171 7.965 6.443 1.00 . A A . 2 THR HG1 1 1 7 2506 1 1 2 THR HG21 H -3.519 5.013 8.291 1.00 . A A . 2 THR HG21 1 1 7 2507 1 1 2 THR HG22 H -3.919 6.605 8.957 1.00 . A A . 2 THR HG22 1 1 7 2508 1 1 2 THR HG23 H -4.810 5.974 7.563 1.00 . A A . 2 THR HG23 1 1 7 2509 1 1 2 THR N N -0.624 7.739 6.969 1.00 . A A . 2 THR N 1 1 7 2510 1 1 2 THR O O 0.491 5.490 8.319 1.00 . A A . 2 THR O 1 1 7 2511 1 1 2 THR OG1 O -3.298 8.014 6.838 1.00 . A A . 2 THR OG1 1 1 7 2512 1 1 3 GLN C C 0.864 3.595 6.095 1.00 . A A . 3 GLN C 1 1 7 2513 1 1 3 GLN CA C -0.289 3.205 7.024 1.00 . A A . 3 GLN CA 1 1 7 2514 1 1 3 GLN CB C -1.088 2.083 6.359 1.00 . A A . 3 GLN CB 1 1 7 2515 1 1 3 GLN CD C -2.783 0.268 6.735 1.00 . A A . 3 GLN CD 1 1 7 2516 1 1 3 GLN CG C -2.126 1.467 7.295 1.00 . A A . 3 GLN CG 1 1 7 2517 1 1 3 GLN H H -2.083 4.392 6.907 1.00 . A A . 3 GLN H 1 1 7 2518 1 1 3 GLN HA H 0.127 2.841 7.964 1.00 . A A . 3 GLN HA 1 1 7 2519 1 1 3 GLN HB3 H -0.386 1.299 6.065 1.00 . A A . 3 GLN HB3 1 1 7 2520 1 1 3 GLN HE21 H -3.868 0.238 8.459 1.00 . A A . 3 GLN HE21 1 1 7 2521 1 1 3 GLN HE22 H -3.946 -1.124 7.400 1.00 . A A . 3 GLN HE22 1 1 7 2522 1 1 3 GLN HG3 H -2.971 2.103 7.527 1.00 . A A . 3 GLN HG3 1 1 7 2523 1 1 3 GLN N N -1.142 4.367 7.278 1.00 . A A . 3 GLN N 1 1 7 2524 1 1 3 GLN NE2 N -3.661 -0.216 7.583 1.00 . A A . 3 GLN NE2 1 1 7 2525 1 1 3 GLN O O 1.951 3.026 6.158 1.00 . A A . 3 GLN O 1 1 7 2526 1 1 3 GLN OE1 O -2.503 -0.223 5.644 1.00 . A A . 3 GLN OE1 1 1 7 2527 1 1 4 CYS C C 1.033 6.427 3.801 1.00 . A A . 4 CYS C 1 1 7 2528 1 1 4 CYS CA C 1.455 5.009 4.146 1.00 . A A . 4 CYS CA 1 1 7 2529 1 1 4 CYS CB C 1.284 4.128 2.910 1.00 . A A . 4 CYS CB 1 1 7 2530 1 1 4 CYS H H -0.328 4.976 5.210 1.00 . A A . 4 CYS H 1 1 7 2531 1 1 4 CYS HA H 2.498 4.999 4.465 1.00 . A A . 4 CYS HA 1 1 7 2532 1 1 4 CYS HB3 H 1.716 3.158 3.118 1.00 . A A . 4 CYS HB3 1 1 7 2533 1 1 4 CYS N N 0.584 4.539 5.199 1.00 . A A . 4 CYS N 1 1 7 2534 1 1 4 CYS O O -0.019 6.893 4.246 1.00 . A A . 4 CYS O 1 1 7 2535 1 1 4 CYS SG S -0.439 3.907 2.371 1.00 . A A . 4 CYS SG 1 1 7 2536 1 1 5 GLN C C 1.416 8.096 0.824 1.00 . A A . 5 GLN C 1 1 7 2537 1 1 5 GLN CA C 1.639 8.335 2.323 1.00 . A A . 5 GLN CA 1 1 7 2538 1 1 5 GLN CB C 2.861 9.231 2.548 1.00 . A A . 5 GLN CB 1 1 7 2539 1 1 5 GLN CD C 3.664 11.630 2.401 1.00 . A A . 5 GLN CD 1 1 7 2540 1 1 5 GLN CG C 2.455 10.705 2.471 1.00 . A A . 5 GLN CG 1 1 7 2541 1 1 5 GLN H H 2.739 6.592 2.746 1.00 . A A . 5 GLN H 1 1 7 2542 1 1 5 GLN HA H 0.761 8.836 2.729 1.00 . A A . 5 GLN HA 1 1 7 2543 1 1 5 GLN HB3 H 3.623 9.012 1.797 1.00 . A A . 5 GLN HB3 1 1 7 2544 1 1 5 GLN HE21 H 4.491 10.802 4.066 1.00 . A A . 5 GLN HE21 1 1 7 2545 1 1 5 GLN HE22 H 5.398 12.103 3.312 1.00 . A A . 5 GLN HE22 1 1 7 2546 1 1 5 GLN HG3 H 1.862 10.968 3.347 1.00 . A A . 5 GLN HG3 1 1 7 2547 1 1 5 GLN N N 1.869 7.069 2.994 1.00 . A A . 5 GLN N 1 1 7 2548 1 1 5 GLN NE2 N 4.590 11.502 3.348 1.00 . A A . 5 GLN NE2 1 1 7 2549 1 1 5 GLN O O 0.665 8.832 0.189 1.00 . A A . 5 GLN O 1 1 7 2550 1 1 5 GLN OE1 O 3.774 12.458 1.505 1.00 . A A . 5 GLN OE1 1 1 7 2551 1 1 6 SER C C 2.441 5.400 -1.475 1.00 . A A . 6 SER C 1 1 7 2552 1 1 6 SER CA C 2.041 6.850 -1.207 1.00 . A A . 6 SER CA 1 1 7 2553 1 1 6 SER CB C 2.969 7.825 -1.939 1.00 . A A . 6 SER CB 1 1 7 2554 1 1 6 SER H H 2.729 6.531 0.795 1.00 . A A . 6 SER H 1 1 7 2555 1 1 6 SER HA H 1.021 6.991 -1.571 1.00 . A A . 6 SER HA 1 1 7 2556 1 1 6 SER HB3 H 3.127 7.499 -2.967 1.00 . A A . 6 SER HB3 1 1 7 2557 1 1 6 SER HG H 1.784 9.218 -1.235 1.00 . A A . 6 SER HG 1 1 7 2558 1 1 6 SER N N 2.097 7.111 0.228 1.00 . A A . 6 SER N 1 1 7 2559 1 1 6 SER O O 3.050 4.768 -0.622 1.00 . A A . 6 SER O 1 1 7 2560 1 1 6 SER OG O 2.396 9.117 -1.976 1.00 . A A . 6 SER OG 1 1 7 2561 1 1 7 VAL C C 3.785 3.005 -2.713 1.00 . A A . 7 VAL C 1 1 7 2562 1 1 7 VAL CA C 2.327 3.436 -2.955 1.00 . A A . 7 VAL CA 1 1 7 2563 1 1 7 VAL CB C 1.823 3.192 -4.385 1.00 . A A . 7 VAL CB 1 1 7 2564 1 1 7 VAL CG1 C 2.704 3.836 -5.464 1.00 . A A . 7 VAL CG1 1 1 7 2565 1 1 7 VAL CG2 C 1.669 1.698 -4.634 1.00 . A A . 7 VAL CG2 1 1 7 2566 1 1 7 VAL H H 1.559 5.346 -3.323 1.00 . A A . 7 VAL H 1 1 7 2567 1 1 7 VAL HA H 1.695 2.866 -2.272 1.00 . A A . 7 VAL HA 1 1 7 2568 1 1 7 VAL HB H 0.826 3.625 -4.469 1.00 . A A . 7 VAL HB 1 1 7 2569 1 1 7 VAL HG11 H 3.687 3.368 -5.489 1.00 . A A . 7 VAL HG11 1 1 7 2570 1 1 7 VAL HG12 H 2.234 3.704 -6.439 1.00 . A A . 7 VAL HG12 1 1 7 2571 1 1 7 VAL HG13 H 2.816 4.905 -5.276 1.00 . A A . 7 VAL HG13 1 1 7 2572 1 1 7 VAL HG21 H 1.216 1.544 -5.613 1.00 . A A . 7 VAL HG21 1 1 7 2573 1 1 7 VAL HG22 H 2.641 1.209 -4.596 1.00 . A A . 7 VAL HG22 1 1 7 2574 1 1 7 VAL HG23 H 1.017 1.289 -3.864 1.00 . A A . 7 VAL HG23 1 1 7 2575 1 1 7 VAL N N 2.101 4.840 -2.642 1.00 . A A . 7 VAL N 1 1 7 2576 1 1 7 VAL O O 4.047 1.882 -2.292 1.00 . A A . 7 VAL O 1 1 7 2577 1 1 8 ARG C C 6.306 3.163 -1.163 1.00 . A A . 8 ARG C 1 1 7 2578 1 1 8 ARG CA C 6.111 3.941 -2.473 1.00 . A A . 8 ARG CA 1 1 7 2579 1 1 8 ARG CB C 6.479 5.430 -2.285 1.00 . A A . 8 ARG CB 1 1 7 2580 1 1 8 ARG CD C 8.865 5.055 -1.336 1.00 . A A . 8 ARG CD 1 1 7 2581 1 1 8 ARG CG C 7.967 5.792 -2.332 1.00 . A A . 8 ARG CG 1 1 7 2582 1 1 8 ARG CZ C 9.046 4.524 1.066 1.00 . A A . 8 ARG CZ 1 1 7 2583 1 1 8 ARG H H 4.380 4.792 -3.338 1.00 . A A . 8 ARG H 1 1 7 2584 1 1 8 ARG HA H 6.739 3.479 -3.231 1.00 . A A . 8 ARG HA 1 1 7 2585 1 1 8 ARG HB3 H 6.048 5.802 -1.354 1.00 . A A . 8 ARG HB3 1 1 7 2586 1 1 8 ARG HD3 H 9.855 5.514 -1.403 1.00 . A A . 8 ARG HD3 1 1 7 2587 1 1 8 ARG HE H 7.490 5.542 0.305 1.00 . A A . 8 ARG HE 1 1 7 2588 1 1 8 ARG HG3 H 8.054 6.865 -2.146 1.00 . A A . 8 ARG HG3 1 1 7 2589 1 1 8 ARG HH11 H 10.611 3.870 -0.077 1.00 . A A . 8 ARG HH11 1 1 7 2590 1 1 8 ARG HH12 H 10.613 3.378 1.614 1.00 . A A . 8 ARG HH12 1 1 7 2591 1 1 8 ARG HH21 H 7.617 4.970 2.409 1.00 . A A . 8 ARG HH21 1 1 7 2592 1 1 8 ARG HH22 H 8.943 3.934 3.015 1.00 . A A . 8 ARG HH22 1 1 7 2593 1 1 8 ARG N N 4.723 3.931 -2.941 1.00 . A A . 8 ARG N 1 1 7 2594 1 1 8 ARG NE N 8.397 5.128 0.063 1.00 . A A . 8 ARG NE 1 1 7 2595 1 1 8 ARG NH1 N 10.205 3.902 0.843 1.00 . A A . 8 ARG NH1 1 1 7 2596 1 1 8 ARG NH2 N 8.534 4.522 2.293 1.00 . A A . 8 ARG NH2 1 1 7 2597 1 1 8 ARG O O 7.192 2.321 -1.035 1.00 . A A . 8 ARG O 1 1 7 2598 1 1 9 ASP C C 5.088 1.547 1.208 1.00 . A A . 9 ASP C 1 1 7 2599 1 1 9 ASP CA C 5.527 3.004 1.183 1.00 . A A . 9 ASP CA 1 1 7 2600 1 1 9 ASP CB C 4.586 3.940 1.944 1.00 . A A . 9 ASP CB 1 1 7 2601 1 1 9 ASP CG C 5.026 5.395 1.855 1.00 . A A . 9 ASP CG 1 1 7 2602 1 1 9 ASP H H 4.745 4.156 -0.359 1.00 . A A . 9 ASP H 1 1 7 2603 1 1 9 ASP HA H 6.536 3.064 1.584 1.00 . A A . 9 ASP HA 1 1 7 2604 1 1 9 ASP HB3 H 4.372 3.663 2.965 1.00 . A A . 9 ASP HB3 1 1 7 2605 1 1 9 ASP N N 5.481 3.485 -0.179 1.00 . A A . 9 ASP N 1 1 7 2606 1 1 9 ASP O O 5.793 0.667 1.720 1.00 . A A . 9 ASP O 1 1 7 2607 1 1 9 ASP OD1 O 6.251 5.631 1.723 1.00 . A A . 9 ASP OD1 1 1 7 2608 1 1 9 ASP OD2 O 4.112 6.245 1.851 1.00 . A A . 9 ASP OD2 1 1 7 2609 1 1 10 CYS C C 4.627 -0.922 -0.285 1.00 . A A . 10 CYS C 1 1 7 2610 1 1 10 CYS CA C 3.558 -0.128 0.453 1.00 . A A . 10 CYS CA 1 1 7 2611 1 1 10 CYS CB C 2.197 -0.407 -0.191 1.00 . A A . 10 CYS CB 1 1 7 2612 1 1 10 CYS H H 3.447 1.988 0.077 1.00 . A A . 10 CYS H 1 1 7 2613 1 1 10 CYS HA H 3.526 -0.517 1.468 1.00 . A A . 10 CYS HA 1 1 7 2614 1 1 10 CYS HB3 H 2.450 -0.793 -1.137 1.00 . A A . 10 CYS HB3 1 1 7 2615 1 1 10 CYS N N 3.944 1.263 0.576 1.00 . A A . 10 CYS N 1 1 7 2616 1 1 10 CYS O O 4.758 -2.103 -0.014 1.00 . A A . 10 CYS O 1 1 7 2617 1 1 10 CYS SG S 1.240 -1.687 0.665 1.00 . A A . 10 CYS SG 1 1 7 2618 1 1 11 GLN C C 7.512 -1.591 -0.977 1.00 . A A . 11 GLN C 1 1 7 2619 1 1 11 GLN CA C 6.404 -1.102 -1.928 1.00 . A A . 11 GLN CA 1 1 7 2620 1 1 11 GLN CB C 6.946 -0.330 -3.137 1.00 . A A . 11 GLN CB 1 1 7 2621 1 1 11 GLN CD C 6.333 0.589 -5.413 1.00 . A A . 11 GLN CD 1 1 7 2622 1 1 11 GLN CG C 5.901 -0.306 -4.259 1.00 . A A . 11 GLN CG 1 1 7 2623 1 1 11 GLN H H 5.212 0.635 -1.490 1.00 . A A . 11 GLN H 1 1 7 2624 1 1 11 GLN HA H 5.924 -1.998 -2.335 1.00 . A A . 11 GLN HA 1 1 7 2625 1 1 11 GLN HB3 H 7.836 -0.834 -3.516 1.00 . A A . 11 GLN HB3 1 1 7 2626 1 1 11 GLN HE21 H 5.592 2.234 -4.485 1.00 . A A . 11 GLN HE21 1 1 7 2627 1 1 11 GLN HE22 H 6.335 2.495 -6.060 1.00 . A A . 11 GLN HE22 1 1 7 2628 1 1 11 GLN HG3 H 4.947 0.051 -3.876 1.00 . A A . 11 GLN HG3 1 1 7 2629 1 1 11 GLN N N 5.378 -0.334 -1.226 1.00 . A A . 11 GLN N 1 1 7 2630 1 1 11 GLN NE2 N 6.062 1.885 -5.306 1.00 . A A . 11 GLN NE2 1 1 7 2631 1 1 11 GLN O O 8.257 -2.496 -1.340 1.00 . A A . 11 GLN O 1 1 7 2632 1 1 11 GLN OE1 O 6.897 0.127 -6.397 1.00 . A A . 11 GLN OE1 1 1 7 2633 1 1 12 GLN C C 7.540 -2.806 1.944 1.00 . A A . 12 GLN C 1 1 7 2634 1 1 12 GLN CA C 8.378 -1.696 1.306 1.00 . A A . 12 GLN CA 1 1 7 2635 1 1 12 GLN CB C 8.800 -0.694 2.390 1.00 . A A . 12 GLN CB 1 1 7 2636 1 1 12 GLN CD C 10.331 1.221 3.002 1.00 . A A . 12 GLN CD 1 1 7 2637 1 1 12 GLN CG C 9.765 0.373 1.863 1.00 . A A . 12 GLN CG 1 1 7 2638 1 1 12 GLN H H 6.997 -0.285 0.508 1.00 . A A . 12 GLN H 1 1 7 2639 1 1 12 GLN HA H 9.284 -2.145 0.897 1.00 . A A . 12 GLN HA 1 1 7 2640 1 1 12 GLN HB3 H 9.298 -1.260 3.178 1.00 . A A . 12 GLN HB3 1 1 7 2641 1 1 12 GLN HE21 H 11.236 -0.387 3.858 1.00 . A A . 12 GLN HE21 1 1 7 2642 1 1 12 GLN HE22 H 11.457 1.146 4.678 1.00 . A A . 12 GLN HE22 1 1 7 2643 1 1 12 GLN HG3 H 9.235 1.016 1.159 1.00 . A A . 12 GLN HG3 1 1 7 2644 1 1 12 GLN N N 7.617 -1.043 0.244 1.00 . A A . 12 GLN N 1 1 7 2645 1 1 12 GLN NE2 N 11.073 0.607 3.917 1.00 . A A . 12 GLN NE2 1 1 7 2646 1 1 12 GLN O O 8.025 -3.913 2.159 1.00 . A A . 12 GLN O 1 1 7 2647 1 1 12 GLN OE1 O 10.125 2.433 3.049 1.00 . A A . 12 GLN OE1 1 1 7 2648 1 1 13 TYR C C 5.114 -4.700 2.432 1.00 . A A . 13 TYR C 1 1 7 2649 1 1 13 TYR CA C 5.439 -3.358 3.109 1.00 . A A . 13 TYR CA 1 1 7 2650 1 1 13 TYR CB C 4.140 -2.608 3.407 1.00 . A A . 13 TYR CB 1 1 7 2651 1 1 13 TYR CD1 C 3.787 -3.007 5.882 1.00 . A A . 13 TYR CD1 1 1 7 2652 1 1 13 TYR CD2 C 2.106 -3.821 4.322 1.00 . A A . 13 TYR CD2 1 1 7 2653 1 1 13 TYR CE1 C 3.026 -3.500 6.955 1.00 . A A . 13 TYR CE1 1 1 7 2654 1 1 13 TYR CE2 C 1.345 -4.310 5.395 1.00 . A A . 13 TYR CE2 1 1 7 2655 1 1 13 TYR CG C 3.331 -3.171 4.560 1.00 . A A . 13 TYR CG 1 1 7 2656 1 1 13 TYR CZ C 1.807 -4.152 6.713 1.00 . A A . 13 TYR CZ 1 1 7 2657 1 1 13 TYR H H 5.949 -1.564 2.050 1.00 . A A . 13 TYR H 1 1 7 2658 1 1 13 TYR HA H 5.958 -3.561 4.048 1.00 . A A . 13 TYR HA 1 1 7 2659 1 1 13 TYR HB3 H 3.531 -2.611 2.504 1.00 . A A . 13 TYR HB3 1 1 7 2660 1 1 13 TYR HD1 H 4.720 -2.497 6.075 1.00 . A A . 13 TYR HD1 1 1 7 2661 1 1 13 TYR HD2 H 1.731 -3.920 3.316 1.00 . A A . 13 TYR HD2 1 1 7 2662 1 1 13 TYR HE1 H 3.377 -3.376 7.969 1.00 . A A . 13 TYR HE1 1 1 7 2663 1 1 13 TYR HE2 H 0.400 -4.794 5.198 1.00 . A A . 13 TYR HE2 1 1 7 2664 1 1 13 TYR HH H 0.258 -5.047 7.483 1.00 . A A . 13 TYR HH 1 1 7 2665 1 1 13 TYR N N 6.294 -2.484 2.306 1.00 . A A . 13 TYR N 1 1 7 2666 1 1 13 TYR O O 4.983 -5.728 3.092 1.00 . A A . 13 TYR O 1 1 7 2667 1 1 13 TYR OH O 1.069 -4.619 7.760 1.00 . A A . 13 TYR OH 1 1 7 2668 1 1 14 CYS C C 5.206 -5.773 -1.003 1.00 . A A . 14 CYS C 1 1 7 2669 1 1 14 CYS CA C 4.367 -5.704 0.263 1.00 . A A . 14 CYS CA 1 1 7 2670 1 1 14 CYS CB C 2.921 -5.356 -0.127 1.00 . A A . 14 CYS CB 1 1 7 2671 1 1 14 CYS H H 5.121 -3.771 0.679 1.00 . A A . 14 CYS H 1 1 7 2672 1 1 14 CYS HA H 4.389 -6.669 0.773 1.00 . A A . 14 CYS HA 1 1 7 2673 1 1 14 CYS HB3 H 2.622 -5.865 -1.047 1.00 . A A . 14 CYS HB3 1 1 7 2674 1 1 14 CYS N N 4.912 -4.655 1.117 1.00 . A A . 14 CYS N 1 1 7 2675 1 1 14 CYS O O 5.619 -4.742 -1.527 1.00 . A A . 14 CYS O 1 1 7 2676 1 1 14 CYS SG S 1.689 -5.773 1.130 1.00 . A A . 14 CYS SG 1 1 7 2677 1 1 15 LEU C C 5.285 -6.514 -3.920 1.00 . A A . 15 LEU C 1 1 7 2678 1 1 15 LEU CA C 6.099 -7.176 -2.800 1.00 . A A . 15 LEU CA 1 1 7 2679 1 1 15 LEU CB C 6.319 -8.682 -3.038 1.00 . A A . 15 LEU CB 1 1 7 2680 1 1 15 LEU CD1 C 7.483 -8.404 -5.316 1.00 . A A . 15 LEU CD1 1 1 7 2681 1 1 15 LEU CD2 C 8.861 -8.757 -3.248 1.00 . A A . 15 LEU CD2 1 1 7 2682 1 1 15 LEU CG C 7.519 -9.056 -3.930 1.00 . A A . 15 LEU CG 1 1 7 2683 1 1 15 LEU H H 5.066 -7.795 -1.040 1.00 . A A . 15 LEU H 1 1 7 2684 1 1 15 LEU HA H 7.063 -6.674 -2.727 1.00 . A A . 15 LEU HA 1 1 7 2685 1 1 15 LEU HB3 H 5.414 -9.111 -3.470 1.00 . A A . 15 LEU HB3 1 1 7 2686 1 1 15 LEU HD11 H 8.229 -8.874 -5.956 1.00 . A A . 15 LEU HD11 1 1 7 2687 1 1 15 LEU HD12 H 6.500 -8.537 -5.768 1.00 . A A . 15 LEU HD12 1 1 7 2688 1 1 15 LEU HD13 H 7.713 -7.343 -5.245 1.00 . A A . 15 LEU HD13 1 1 7 2689 1 1 15 LEU HD21 H 9.672 -9.162 -3.854 1.00 . A A . 15 LEU HD21 1 1 7 2690 1 1 15 LEU HD22 H 9.014 -7.685 -3.137 1.00 . A A . 15 LEU HD22 1 1 7 2691 1 1 15 LEU HD23 H 8.892 -9.227 -2.265 1.00 . A A . 15 LEU HD23 1 1 7 2692 1 1 15 LEU HG H 7.468 -10.136 -4.079 1.00 . A A . 15 LEU HG 1 1 7 2693 1 1 15 LEU N N 5.410 -6.984 -1.529 1.00 . A A . 15 LEU N 1 1 7 2694 1 1 15 LEU O O 5.830 -5.754 -4.716 1.00 . A A . 15 LEU O 1 1 7 2695 1 1 16 THR C C 1.868 -5.558 -4.426 1.00 . A A . 16 THR C 1 1 7 2696 1 1 16 THR CA C 3.079 -6.300 -5.004 1.00 . A A . 16 THR CA 1 1 7 2697 1 1 16 THR CB C 2.653 -7.485 -5.887 1.00 . A A . 16 THR CB 1 1 7 2698 1 1 16 THR CG2 C 2.047 -6.968 -7.194 1.00 . A A . 16 THR CG2 1 1 7 2699 1 1 16 THR H H 3.598 -7.421 -3.271 1.00 . A A . 16 THR H 1 1 7 2700 1 1 16 THR HA H 3.609 -5.598 -5.650 1.00 . A A . 16 THR HA 1 1 7 2701 1 1 16 THR HB H 1.921 -8.099 -5.361 1.00 . A A . 16 THR HB 1 1 7 2702 1 1 16 THR HG1 H 3.503 -9.005 -6.769 1.00 . A A . 16 THR HG1 1 1 7 2703 1 1 16 THR HG21 H 1.196 -6.319 -6.981 1.00 . A A . 16 THR HG21 1 1 7 2704 1 1 16 THR HG22 H 2.794 -6.396 -7.745 1.00 . A A . 16 THR HG22 1 1 7 2705 1 1 16 THR HG23 H 1.710 -7.805 -7.806 1.00 . A A . 16 THR HG23 1 1 7 2706 1 1 16 THR N N 3.972 -6.779 -3.951 1.00 . A A . 16 THR N 1 1 7 2707 1 1 16 THR O O 0.769 -6.112 -4.346 1.00 . A A . 16 THR O 1 1 7 2708 1 1 16 THR OG1 O 3.776 -8.289 -6.190 1.00 . A A . 16 THR OG1 1 1 7 2709 1 1 17 PRO C C -0.100 -3.220 -4.611 1.00 . A A . 17 PRO C 1 1 7 2710 1 1 17 PRO CA C 0.940 -3.507 -3.529 1.00 . A A . 17 PRO CA 1 1 7 2711 1 1 17 PRO CB C 1.541 -2.267 -2.869 1.00 . A A . 17 PRO CB 1 1 7 2712 1 1 17 PRO CD C 3.240 -3.753 -3.437 1.00 . A A . 17 PRO CD 1 1 7 2713 1 1 17 PRO CG C 3.025 -2.296 -3.170 1.00 . A A . 17 PRO CG 1 1 7 2714 1 1 17 PRO HA H 0.528 -4.097 -2.723 1.00 . A A . 17 PRO HA 1 1 7 2715 1 1 17 PRO HB3 H 1.318 -2.320 -1.810 1.00 . A A . 17 PRO HB3 1 1 7 2716 1 1 17 PRO HD3 H 3.240 -4.104 -2.435 1.00 . A A . 17 PRO HD3 1 1 7 2717 1 1 17 PRO HG3 H 3.648 -2.001 -2.342 1.00 . A A . 17 PRO HG3 1 1 7 2718 1 1 17 PRO N N 2.038 -4.296 -4.008 1.00 . A A . 17 PRO N 1 1 7 2719 1 1 17 PRO O O 0.170 -3.311 -5.806 1.00 . A A . 17 PRO O 1 1 7 2720 1 1 18 ASP C C -2.293 -0.910 -5.009 1.00 . A A . 18 ASP C 1 1 7 2721 1 1 18 ASP CA C -2.421 -2.428 -4.948 1.00 . A A . 18 ASP CA 1 1 7 2722 1 1 18 ASP CB C -3.732 -2.858 -4.262 1.00 . A A . 18 ASP CB 1 1 7 2723 1 1 18 ASP CG C -4.974 -2.567 -5.087 1.00 . A A . 18 ASP CG 1 1 7 2724 1 1 18 ASP H H -1.395 -2.776 -3.154 1.00 . A A . 18 ASP H 1 1 7 2725 1 1 18 ASP HA H -2.364 -2.847 -5.954 1.00 . A A . 18 ASP HA 1 1 7 2726 1 1 18 ASP HB3 H -3.827 -2.320 -3.332 1.00 . A A . 18 ASP HB3 1 1 7 2727 1 1 18 ASP N N -1.305 -2.894 -4.153 1.00 . A A . 18 ASP N 1 1 7 2728 1 1 18 ASP O O -2.123 -0.332 -6.079 1.00 . A A . 18 ASP O 1 1 7 2729 1 1 18 ASP OD1 O -4.871 -2.683 -6.325 1.00 . A A . 18 ASP OD1 1 1 7 2730 1 1 18 ASP OD2 O -6.019 -2.239 -4.475 1.00 . A A . 18 ASP OD2 1 1 7 2731 1 1 19 ARG C C -2.002 1.548 -2.280 1.00 . A A . 19 ARG C 1 1 7 2732 1 1 19 ARG CA C -2.306 1.184 -3.725 1.00 . A A . 19 ARG CA 1 1 7 2733 1 1 19 ARG CB C -3.654 1.825 -4.106 1.00 . A A . 19 ARG CB 1 1 7 2734 1 1 19 ARG CD C -6.201 1.367 -4.507 1.00 . A A . 19 ARG CD 1 1 7 2735 1 1 19 ARG CG C -4.845 0.890 -3.973 1.00 . A A . 19 ARG CG 1 1 7 2736 1 1 19 ARG CZ C -8.033 -0.088 -3.572 1.00 . A A . 19 ARG CZ 1 1 7 2737 1 1 19 ARG H H -2.584 -0.757 -2.979 1.00 . A A . 19 ARG H 1 1 7 2738 1 1 19 ARG HA H -1.517 1.576 -4.369 1.00 . A A . 19 ARG HA 1 1 7 2739 1 1 19 ARG HB3 H -3.611 2.261 -5.106 1.00 . A A . 19 ARG HB3 1 1 7 2740 1 1 19 ARG HD3 H -6.079 1.661 -5.551 1.00 . A A . 19 ARG HD3 1 1 7 2741 1 1 19 ARG HE H -6.581 -0.639 -4.764 1.00 . A A . 19 ARG HE 1 1 7 2742 1 1 19 ARG HG3 H -4.894 0.562 -2.944 1.00 . A A . 19 ARG HG3 1 1 7 2743 1 1 19 ARG HH11 H -8.723 1.811 -3.397 1.00 . A A . 19 ARG HH11 1 1 7 2744 1 1 19 ARG HH12 H -9.428 0.675 -2.264 1.00 . A A . 19 ARG HH12 1 1 7 2745 1 1 19 ARG HH21 H -7.464 -2.009 -3.617 1.00 . A A . 19 ARG HH21 1 1 7 2746 1 1 19 ARG HH22 H -8.847 -1.697 -2.555 1.00 . A A . 19 ARG HH22 1 1 7 2747 1 1 19 ARG N N -2.364 -0.260 -3.840 1.00 . A A . 19 ARG N 1 1 7 2748 1 1 19 ARG NE N -7.073 0.196 -4.459 1.00 . A A . 19 ARG NE 1 1 7 2749 1 1 19 ARG NH1 N -8.798 0.870 -3.041 1.00 . A A . 19 ARG NH1 1 1 7 2750 1 1 19 ARG NH2 N -8.173 -1.369 -3.229 1.00 . A A . 19 ARG NH2 1 1 7 2751 1 1 19 ARG O O -2.441 0.861 -1.364 1.00 . A A . 19 ARG O 1 1 7 2752 1 1 20 CYS C C -2.950 4.236 -1.168 1.00 . A A . 20 CYS C 1 1 7 2753 1 1 20 CYS CA C -1.650 3.488 -0.887 1.00 . A A . 20 CYS CA 1 1 7 2754 1 1 20 CYS CB C -0.511 4.454 -0.591 1.00 . A A . 20 CYS CB 1 1 7 2755 1 1 20 CYS H H -1.119 3.229 -2.908 1.00 . A A . 20 CYS H 1 1 7 2756 1 1 20 CYS HA H -1.772 2.843 -0.022 1.00 . A A . 20 CYS HA 1 1 7 2757 1 1 20 CYS HB3 H -0.413 5.151 -1.420 1.00 . A A . 20 CYS HB3 1 1 7 2758 1 1 20 CYS N N -1.379 2.709 -2.084 1.00 . A A . 20 CYS N 1 1 7 2759 1 1 20 CYS O O -2.997 5.050 -2.089 1.00 . A A . 20 CYS O 1 1 7 2760 1 1 20 CYS SG S -0.781 5.374 0.939 1.00 . A A . 20 CYS SG 1 1 7 2761 1 1 21 SER C C -6.219 4.237 0.478 1.00 . A A . 21 SER C 1 1 7 2762 1 1 21 SER CA C -5.357 4.420 -0.766 1.00 . A A . 21 SER CA 1 1 7 2763 1 1 21 SER CB C -5.944 3.704 -1.990 1.00 . A A . 21 SER CB 1 1 7 2764 1 1 21 SER H H -3.999 3.165 0.226 1.00 . A A . 21 SER H 1 1 7 2765 1 1 21 SER HA H -5.287 5.492 -0.963 1.00 . A A . 21 SER HA 1 1 7 2766 1 1 21 SER HB3 H -7.026 3.773 -1.929 1.00 . A A . 21 SER HB3 1 1 7 2767 1 1 21 SER HG H -4.606 4.706 -3.002 1.00 . A A . 21 SER HG 1 1 7 2768 1 1 21 SER N N -4.040 3.885 -0.490 1.00 . A A . 21 SER N 1 1 7 2769 1 1 21 SER O O -6.047 3.260 1.193 1.00 . A A . 21 SER O 1 1 7 2770 1 1 21 SER OG O -5.512 4.392 -3.148 1.00 . A A . 21 SER OG 1 1 7 2771 1 1 22 TYR C C -7.150 4.960 3.223 1.00 . A A . 22 TYR C 1 1 7 2772 1 1 22 TYR CA C -7.988 5.107 1.941 1.00 . A A . 22 TYR CA 1 1 7 2773 1 1 22 TYR CB C -9.027 4.000 1.747 1.00 . A A . 22 TYR CB 1 1 7 2774 1 1 22 TYR CD1 C -11.294 4.966 2.313 1.00 . A A . 22 TYR CD1 1 1 7 2775 1 1 22 TYR CD2 C -10.403 3.192 3.721 1.00 . A A . 22 TYR CD2 1 1 7 2776 1 1 22 TYR CE1 C -12.478 4.972 3.070 1.00 . A A . 22 TYR CE1 1 1 7 2777 1 1 22 TYR CE2 C -11.587 3.200 4.479 1.00 . A A . 22 TYR CE2 1 1 7 2778 1 1 22 TYR CG C -10.252 4.077 2.636 1.00 . A A . 22 TYR CG 1 1 7 2779 1 1 22 TYR CZ C -12.624 4.090 4.152 1.00 . A A . 22 TYR CZ 1 1 7 2780 1 1 22 TYR H H -7.232 5.965 0.140 1.00 . A A . 22 TYR H 1 1 7 2781 1 1 22 TYR HA H -8.556 6.021 2.005 1.00 . A A . 22 TYR HA 1 1 7 2782 1 1 22 TYR HB3 H -8.513 3.070 1.926 1.00 . A A . 22 TYR HB3 1 1 7 2783 1 1 22 TYR HD1 H -11.198 5.631 1.466 1.00 . A A . 22 TYR HD1 1 1 7 2784 1 1 22 TYR HD2 H -9.616 2.495 3.971 1.00 . A A . 22 TYR HD2 1 1 7 2785 1 1 22 TYR HE1 H -13.282 5.645 2.814 1.00 . A A . 22 TYR HE1 1 1 7 2786 1 1 22 TYR HE2 H -11.691 2.514 5.308 1.00 . A A . 22 TYR HE2 1 1 7 2787 1 1 22 TYR HH H -13.785 3.448 5.582 1.00 . A A . 22 TYR HH 1 1 7 2788 1 1 22 TYR N N -7.129 5.175 0.760 1.00 . A A . 22 TYR N 1 1 7 2789 1 1 22 TYR O O -7.468 4.169 4.107 1.00 . A A . 22 TYR O 1 1 7 2790 1 1 22 TYR OH O -13.783 4.089 4.870 1.00 . A A . 22 TYR OH 1 1 7 2791 1 1 23 GLY C C -4.463 4.244 4.644 1.00 . A A . 23 GLY C 1 1 7 2792 1 1 23 GLY CA C -5.075 5.633 4.400 1.00 . A A . 23 GLY CA 1 1 7 2793 1 1 23 GLY H H -5.815 6.307 2.525 1.00 . A A . 23 GLY H 1 1 7 2794 1 1 23 GLY HA2 H -4.266 6.332 4.186 1.00 . A A . 23 GLY HA2 1 1 7 2795 1 1 23 GLY HA3 H -5.585 5.958 5.307 1.00 . A A . 23 GLY HA3 1 1 7 2796 1 1 23 GLY N N -6.026 5.685 3.290 1.00 . A A . 23 GLY N 1 1 7 2797 1 1 23 GLY O O -3.803 4.031 5.662 1.00 . A A . 23 GLY O 1 1 7 2798 1 1 24 THR C C -3.388 1.563 2.693 1.00 . A A . 24 THR C 1 1 7 2799 1 1 24 THR CA C -4.355 1.904 3.821 1.00 . A A . 24 THR CA 1 1 7 2800 1 1 24 THR CB C -5.661 1.100 3.701 1.00 . A A . 24 THR CB 1 1 7 2801 1 1 24 THR CG2 C -5.448 -0.397 3.933 1.00 . A A . 24 THR CG2 1 1 7 2802 1 1 24 THR H H -5.149 3.576 2.861 1.00 . A A . 24 THR H 1 1 7 2803 1 1 24 THR HA H -3.903 1.705 4.787 1.00 . A A . 24 THR HA 1 1 7 2804 1 1 24 THR HB H -6.082 1.233 2.704 1.00 . A A . 24 THR HB 1 1 7 2805 1 1 24 THR HG1 H -6.821 2.486 4.461 1.00 . A A . 24 THR HG1 1 1 7 2806 1 1 24 THR HG21 H -6.403 -0.915 3.834 1.00 . A A . 24 THR HG21 1 1 7 2807 1 1 24 THR HG22 H -4.752 -0.807 3.200 1.00 . A A . 24 THR HG22 1 1 7 2808 1 1 24 THR HG23 H -5.059 -0.568 4.937 1.00 . A A . 24 THR HG23 1 1 7 2809 1 1 24 THR N N -4.675 3.314 3.712 1.00 . A A . 24 THR N 1 1 7 2810 1 1 24 THR O O -3.611 1.978 1.555 1.00 . A A . 24 THR O 1 1 7 2811 1 1 24 THR OG1 O -6.601 1.563 4.651 1.00 . A A . 24 THR OG1 1 1 7 2812 1 1 25 CYS C C -2.028 -1.055 1.489 1.00 . A A . 25 CYS C 1 1 7 2813 1 1 25 CYS CA C -1.457 0.302 1.921 1.00 . A A . 25 CYS CA 1 1 7 2814 1 1 25 CYS CB C 0.034 0.438 2.285 1.00 . A A . 25 CYS CB 1 1 7 2815 1 1 25 CYS H H -2.210 0.441 3.915 1.00 . A A . 25 CYS H 1 1 7 2816 1 1 25 CYS HA H -1.536 0.948 1.052 1.00 . A A . 25 CYS HA 1 1 7 2817 1 1 25 CYS HB3 H 0.144 1.105 3.137 1.00 . A A . 25 CYS HB3 1 1 7 2818 1 1 25 CYS N N -2.319 0.819 2.978 1.00 . A A . 25 CYS N 1 1 7 2819 1 1 25 CYS O O -1.714 -2.117 2.022 1.00 . A A . 25 CYS O 1 1 7 2820 1 1 25 CYS SG S 1.034 -1.006 2.605 1.00 . A A . 25 CYS SG 1 1 7 2821 1 1 26 TYR C C -2.692 -2.934 -0.828 1.00 . A A . 26 TYR C 1 1 7 2822 1 1 26 TYR CA C -3.690 -2.113 -0.019 1.00 . A A . 26 TYR CA 1 1 7 2823 1 1 26 TYR CB C -4.762 -1.576 -0.975 1.00 . A A . 26 TYR CB 1 1 7 2824 1 1 26 TYR CD1 C -7.114 -1.898 -0.144 1.00 . A A . 26 TYR CD1 1 1 7 2825 1 1 26 TYR CD2 C -6.203 0.354 -0.217 1.00 . A A . 26 TYR CD2 1 1 7 2826 1 1 26 TYR CE1 C -8.414 -1.373 -0.045 1.00 . A A . 26 TYR CE1 1 1 7 2827 1 1 26 TYR CE2 C -7.503 0.876 -0.107 1.00 . A A . 26 TYR CE2 1 1 7 2828 1 1 26 TYR CG C -6.017 -1.035 -0.327 1.00 . A A . 26 TYR CG 1 1 7 2829 1 1 26 TYR CZ C -8.609 0.016 -0.064 1.00 . A A . 26 TYR CZ 1 1 7 2830 1 1 26 TYR H H -3.116 -0.082 0.112 1.00 . A A . 26 TYR H 1 1 7 2831 1 1 26 TYR HA H -4.143 -2.727 0.760 1.00 . A A . 26 TYR HA 1 1 7 2832 1 1 26 TYR HB3 H -5.094 -2.391 -1.614 1.00 . A A . 26 TYR HB3 1 1 7 2833 1 1 26 TYR HD1 H -6.981 -2.968 -0.229 1.00 . A A . 26 TYR HD1 1 1 7 2834 1 1 26 TYR HD2 H -5.362 1.019 -0.341 1.00 . A A . 26 TYR HD2 1 1 7 2835 1 1 26 TYR HE1 H -9.264 -2.038 -0.028 1.00 . A A . 26 TYR HE1 1 1 7 2836 1 1 26 TYR HE2 H -7.663 1.938 -0.192 1.00 . A A . 26 TYR HE2 1 1 7 2837 1 1 26 TYR HH H -10.052 1.312 0.002 1.00 . A A . 26 TYR HH 1 1 7 2838 1 1 26 TYR N N -2.992 -0.981 0.569 1.00 . A A . 26 TYR N 1 1 7 2839 1 1 26 TYR O O -1.866 -2.327 -1.513 1.00 . A A . 26 TYR O 1 1 7 2840 1 1 26 TYR OH O -9.819 0.503 -0.467 1.00 . A A . 26 TYR OH 1 1 7 2841 1 1 27 CYS C C -2.598 -6.185 -2.397 1.00 . A A . 27 CYS C 1 1 7 2842 1 1 27 CYS CA C -1.880 -5.156 -1.532 1.00 . A A . 27 CYS CA 1 1 7 2843 1 1 27 CYS CB C -0.862 -5.826 -0.607 1.00 . A A . 27 CYS CB 1 1 7 2844 1 1 27 CYS H H -3.478 -4.725 -0.224 1.00 . A A . 27 CYS H 1 1 7 2845 1 1 27 CYS HA H -1.341 -4.542 -2.225 1.00 . A A . 27 CYS HA 1 1 7 2846 1 1 27 CYS HB3 H -0.098 -6.284 -1.228 1.00 . A A . 27 CYS HB3 1 1 7 2847 1 1 27 CYS N N -2.786 -4.275 -0.802 1.00 . A A . 27 CYS N 1 1 7 2848 1 1 27 CYS O O -3.550 -6.824 -1.954 1.00 . A A . 27 CYS O 1 1 7 2849 1 1 27 CYS SG S 0.008 -4.721 0.516 1.00 . A A . 27 CYS SG 1 1 7 2850 1 1 28 LYS C C -2.421 -8.795 -4.117 1.00 . A A . 28 LYS C 1 1 7 2851 1 1 28 LYS CA C -2.671 -7.351 -4.565 1.00 . A A . 28 LYS CA 1 1 7 2852 1 1 28 LYS CB C -2.140 -7.075 -5.980 1.00 . A A . 28 LYS CB 1 1 7 2853 1 1 28 LYS CD C -4.126 -6.532 -7.419 1.00 . A A . 28 LYS CD 1 1 7 2854 1 1 28 LYS CE C -5.228 -5.519 -7.764 1.00 . A A . 28 LYS CE 1 1 7 2855 1 1 28 LYS CG C -2.932 -5.942 -6.649 1.00 . A A . 28 LYS CG 1 1 7 2856 1 1 28 LYS H H -1.241 -5.928 -3.904 1.00 . A A . 28 LYS H 1 1 7 2857 1 1 28 LYS HA H -3.754 -7.227 -4.575 1.00 . A A . 28 LYS HA 1 1 7 2858 1 1 28 LYS HB3 H -2.218 -7.974 -6.595 1.00 . A A . 28 LYS HB3 1 1 7 2859 1 1 28 LYS HD3 H -4.590 -7.318 -6.818 1.00 . A A . 28 LYS HD3 1 1 7 2860 1 1 28 LYS HE3 H -5.794 -5.278 -6.862 1.00 . A A . 28 LYS HE3 1 1 7 2861 1 1 28 LYS HG3 H -2.270 -5.417 -7.340 1.00 . A A . 28 LYS HG3 1 1 7 2862 1 1 28 LYS HZ1 H -3.973 -4.398 -8.997 1.00 . A A . 28 LYS HZ1 1 1 7 2863 1 1 28 LYS HZ2 H -5.464 -3.725 -8.733 1.00 . A A . 28 LYS HZ2 1 1 7 2864 1 1 28 LYS HZ3 H -4.383 -3.672 -7.550 1.00 . A A . 28 LYS HZ3 1 1 7 2865 1 1 28 LYS N N -2.104 -6.389 -3.626 1.00 . A A . 28 LYS N 1 1 7 2866 1 1 28 LYS NZ N -4.710 -4.255 -8.325 1.00 . A A . 28 LYS NZ 1 1 7 2867 1 1 28 LYS O O -3.011 -9.717 -4.674 1.00 . A A . 28 LYS O 1 1 7 2868 1 1 29 THR C C -2.861 -10.667 -1.705 1.00 . A A . 29 THR C 1 1 7 2869 1 1 29 THR CA C -1.536 -10.266 -2.360 1.00 . A A . 29 THR CA 1 1 7 2870 1 1 29 THR CB C -0.390 -10.174 -1.347 1.00 . A A . 29 THR CB 1 1 7 2871 1 1 29 THR CG2 C 0.962 -10.342 -2.045 1.00 . A A . 29 THR CG2 1 1 7 2872 1 1 29 THR H H -1.138 -8.234 -2.616 1.00 . A A . 29 THR H 1 1 7 2873 1 1 29 THR HA H -1.346 -11.038 -3.091 1.00 . A A . 29 THR HA 1 1 7 2874 1 1 29 THR HB H -0.502 -10.954 -0.589 1.00 . A A . 29 THR HB 1 1 7 2875 1 1 29 THR HG1 H 0.208 -8.875 -0.019 1.00 . A A . 29 THR HG1 1 1 7 2876 1 1 29 THR HG21 H 1.013 -11.321 -2.522 1.00 . A A . 29 THR HG21 1 1 7 2877 1 1 29 THR HG22 H 1.094 -9.568 -2.802 1.00 . A A . 29 THR HG22 1 1 7 2878 1 1 29 THR HG23 H 1.767 -10.267 -1.313 1.00 . A A . 29 THR HG23 1 1 7 2879 1 1 29 THR N N -1.619 -9.000 -3.067 1.00 . A A . 29 THR N 1 1 7 2880 1 1 29 THR O O -3.039 -11.824 -1.330 1.00 . A A . 29 THR O 1 1 7 2881 1 1 29 THR OG1 O -0.416 -8.892 -0.750 1.00 . A A . 29 THR OG1 1 1 7 2882 1 1 30 THR C C -5.886 -10.796 -2.336 1.00 . A A . 30 THR C 1 1 7 2883 1 1 30 THR CA C -5.185 -10.012 -1.217 1.00 . A A . 30 THR CA 1 1 7 2884 1 1 30 THR CB C -5.915 -8.702 -0.874 1.00 . A A . 30 THR CB 1 1 7 2885 1 1 30 THR CG2 C -7.253 -8.959 -0.173 1.00 . A A . 30 THR CG2 1 1 7 2886 1 1 30 THR H H -3.565 -8.813 -1.944 1.00 . A A . 30 THR H 1 1 7 2887 1 1 30 THR HA H -5.168 -10.628 -0.316 1.00 . A A . 30 THR HA 1 1 7 2888 1 1 30 THR HB H -6.094 -8.127 -1.786 1.00 . A A . 30 THR HB 1 1 7 2889 1 1 30 THR HG1 H -4.415 -7.523 -0.527 1.00 . A A . 30 THR HG1 1 1 7 2890 1 1 30 THR HG21 H -7.089 -9.517 0.749 1.00 . A A . 30 THR HG21 1 1 7 2891 1 1 30 THR HG22 H -7.722 -8.005 0.069 1.00 . A A . 30 THR HG22 1 1 7 2892 1 1 30 THR HG23 H -7.924 -9.523 -0.820 1.00 . A A . 30 THR HG23 1 1 7 2893 1 1 30 THR N N -3.809 -9.733 -1.612 1.00 . A A . 30 THR N 1 1 7 2894 1 1 30 THR O O -6.759 -10.275 -3.026 1.00 . A A . 30 THR O 1 1 7 2895 1 1 30 THR OG1 O -5.119 -7.923 -0.003 1.00 . A A . 30 THR OG1 1 1 7 2896 1 1 31 NH2 HN1 H -4.726 -12.416 -1.987 1.00 . A A . 31 NH2 HN1 1 1 7 2897 1 1 31 NH2 HN2 H -5.929 -12.603 -3.263 1.00 . A A . 31 NH2 HN2 1 1 7 2898 1 1 31 NH2 N N -5.503 -12.056 -2.531 1.00 . A A . 31 NH2 N 1 1 8 2899 1 1 1 PCA C C -3.451 8.692 9.054 1.00 . A A . 1 PCA C 1 1 8 2900 1 1 1 PCA CA C -3.307 9.432 10.384 1.00 . A A . 1 PCA CA 1 1 8 2901 1 1 1 PCA CB C -4.533 10.294 10.721 1.00 . A A . 1 PCA CB 1 1 8 2902 1 1 1 PCA CD C -2.669 11.608 9.987 1.00 . A A . 1 PCA CD 1 1 8 2903 1 1 1 PCA CG C -4.187 11.615 10.031 1.00 . A A . 1 PCA CG 1 1 8 2904 1 1 1 PCA HA H -3.114 8.717 11.185 1.00 . A A . 1 PCA HA 1 1 8 2905 1 1 1 PCA HB2 H -4.562 10.459 11.799 1.00 . A A . 1 PCA HB2 1 1 8 2906 1 1 1 PCA HB3 H -5.485 9.876 10.389 1.00 . A A . 1 PCA HB3 1 1 8 2907 1 1 1 PCA HG2 H -4.575 11.625 9.012 1.00 . A A . 1 PCA HG2 1 1 8 2908 1 1 1 PCA HG3 H -4.572 12.467 10.592 1.00 . A A . 1 PCA HG3 1 1 8 2909 1 1 1 PCA N N -2.217 10.383 10.253 1.00 . A A . 1 PCA N 1 1 8 2910 1 1 1 PCA O O -4.472 8.801 8.381 1.00 . A A . 1 PCA O 1 1 8 2911 1 1 1 PCA OE O -2.016 12.622 9.819 1.00 . A A . 1 PCA OE 1 1 8 2912 1 1 2 THR C C -1.333 6.074 7.761 1.00 . A A . 2 THR C 1 1 8 2913 1 1 2 THR CA C -2.330 7.186 7.447 1.00 . A A . 2 THR CA 1 1 8 2914 1 1 2 THR CB C -1.840 8.049 6.269 1.00 . A A . 2 THR CB 1 1 8 2915 1 1 2 THR CG2 C -2.877 9.069 5.796 1.00 . A A . 2 THR CG2 1 1 8 2916 1 1 2 THR H H -1.608 7.809 9.260 1.00 . A A . 2 THR H 1 1 8 2917 1 1 2 THR HA H -3.305 6.754 7.218 1.00 . A A . 2 THR HA 1 1 8 2918 1 1 2 THR HB H -1.617 7.387 5.430 1.00 . A A . 2 THR HB 1 1 8 2919 1 1 2 THR HG1 H -0.831 9.243 7.426 1.00 . A A . 2 THR HG1 1 1 8 2920 1 1 2 THR HG21 H -2.998 9.865 6.530 1.00 . A A . 2 THR HG21 1 1 8 2921 1 1 2 THR HG22 H -2.539 9.512 4.858 1.00 . A A . 2 THR HG22 1 1 8 2922 1 1 2 THR HG23 H -3.838 8.585 5.636 1.00 . A A . 2 THR HG23 1 1 8 2923 1 1 2 THR N N -2.406 7.964 8.661 1.00 . A A . 2 THR N 1 1 8 2924 1 1 2 THR O O -0.365 6.298 8.486 1.00 . A A . 2 THR O 1 1 8 2925 1 1 2 THR OG1 O -0.666 8.753 6.617 1.00 . A A . 2 THR OG1 1 1 8 2926 1 1 3 GLN C C 0.593 4.122 6.442 1.00 . A A . 3 GLN C 1 1 8 2927 1 1 3 GLN CA C -0.638 3.771 7.277 1.00 . A A . 3 GLN CA 1 1 8 2928 1 1 3 GLN CB C -1.279 2.517 6.683 1.00 . A A . 3 GLN CB 1 1 8 2929 1 1 3 GLN CD C -3.024 0.740 6.985 1.00 . A A . 3 GLN CD 1 1 8 2930 1 1 3 GLN CG C -2.432 1.981 7.528 1.00 . A A . 3 GLN CG 1 1 8 2931 1 1 3 GLN H H -2.468 4.774 6.767 1.00 . A A . 3 GLN H 1 1 8 2932 1 1 3 GLN HA H -0.330 3.571 8.304 1.00 . A A . 3 GLN HA 1 1 8 2933 1 1 3 GLN HB3 H -0.516 1.738 6.607 1.00 . A A . 3 GLN HB3 1 1 8 2934 1 1 3 GLN HE21 H -4.218 0.761 8.639 1.00 . A A . 3 GLN HE21 1 1 8 2935 1 1 3 GLN HE22 H -4.271 -0.608 7.587 1.00 . A A . 3 GLN HE22 1 1 8 2936 1 1 3 GLN HG3 H -3.301 2.623 7.585 1.00 . A A . 3 GLN HG3 1 1 8 2937 1 1 3 GLN N N -1.588 4.876 7.251 1.00 . A A . 3 GLN N 1 1 8 2938 1 1 3 GLN NE2 N -3.948 0.280 7.795 1.00 . A A . 3 GLN NE2 1 1 8 2939 1 1 3 GLN O O 1.718 3.822 6.831 1.00 . A A . 3 GLN O 1 1 8 2940 1 1 3 GLN OE1 O -2.673 0.217 5.931 1.00 . A A . 3 GLN OE1 1 1 8 2941 1 1 4 CYS C C 1.251 6.343 3.725 1.00 . A A . 4 CYS C 1 1 8 2942 1 1 4 CYS CA C 1.337 4.914 4.218 1.00 . A A . 4 CYS CA 1 1 8 2943 1 1 4 CYS CB C 1.102 3.960 3.046 1.00 . A A . 4 CYS CB 1 1 8 2944 1 1 4 CYS H H -0.600 4.948 5.033 1.00 . A A . 4 CYS H 1 1 8 2945 1 1 4 CYS HA H 2.340 4.739 4.614 1.00 . A A . 4 CYS HA 1 1 8 2946 1 1 4 CYS HB3 H 1.416 2.985 3.387 1.00 . A A . 4 CYS HB3 1 1 8 2947 1 1 4 CYS N N 0.349 4.690 5.259 1.00 . A A . 4 CYS N 1 1 8 2948 1 1 4 CYS O O 0.163 6.901 3.588 1.00 . A A . 4 CYS O 1 1 8 2949 1 1 4 CYS SG S -0.602 3.863 2.428 1.00 . A A . 4 CYS SG 1 1 8 2950 1 1 5 GLN C C 2.186 8.208 1.371 1.00 . A A . 5 GLN C 1 1 8 2951 1 1 5 GLN CA C 2.549 8.237 2.857 1.00 . A A . 5 GLN CA 1 1 8 2952 1 1 5 GLN CB C 3.990 8.710 3.051 1.00 . A A . 5 GLN CB 1 1 8 2953 1 1 5 GLN CD C 5.770 8.960 4.819 1.00 . A A . 5 GLN CD 1 1 8 2954 1 1 5 GLN CG C 4.274 8.897 4.547 1.00 . A A . 5 GLN CG 1 1 8 2955 1 1 5 GLN H H 3.271 6.370 3.613 1.00 . A A . 5 GLN H 1 1 8 2956 1 1 5 GLN HA H 1.899 8.939 3.384 1.00 . A A . 5 GLN HA 1 1 8 2957 1 1 5 GLN HB3 H 4.139 9.664 2.543 1.00 . A A . 5 GLN HB3 1 1 8 2958 1 1 5 GLN HE21 H 5.919 6.959 4.493 1.00 . A A . 5 GLN HE21 1 1 8 2959 1 1 5 GLN HE22 H 7.425 7.784 4.914 1.00 . A A . 5 GLN HE22 1 1 8 2960 1 1 5 GLN HG3 H 3.876 8.066 5.130 1.00 . A A . 5 GLN HG3 1 1 8 2961 1 1 5 GLN N N 2.417 6.907 3.428 1.00 . A A . 5 GLN N 1 1 8 2962 1 1 5 GLN NE2 N 6.436 7.815 4.733 1.00 . A A . 5 GLN NE2 1 1 8 2963 1 1 5 GLN O O 1.703 9.198 0.827 1.00 . A A . 5 GLN O 1 1 8 2964 1 1 5 GLN OE1 O 6.319 10.021 5.102 1.00 . A A . 5 GLN OE1 1 1 8 2965 1 1 6 SER C C 2.628 5.411 -1.002 1.00 . A A . 6 SER C 1 1 8 2966 1 1 6 SER CA C 2.338 6.885 -0.737 1.00 . A A . 6 SER CA 1 1 8 2967 1 1 6 SER CB C 3.343 7.771 -1.495 1.00 . A A . 6 SER CB 1 1 8 2968 1 1 6 SER H H 2.785 6.274 1.223 1.00 . A A . 6 SER H 1 1 8 2969 1 1 6 SER HA H 1.320 7.113 -1.056 1.00 . A A . 6 SER HA 1 1 8 2970 1 1 6 SER HB3 H 3.501 7.383 -2.502 1.00 . A A . 6 SER HB3 1 1 8 2971 1 1 6 SER HG H 2.458 9.370 -0.799 1.00 . A A . 6 SER HG 1 1 8 2972 1 1 6 SER N N 2.468 7.086 0.700 1.00 . A A . 6 SER N 1 1 8 2973 1 1 6 SER O O 3.079 4.710 -0.098 1.00 . A A . 6 SER O 1 1 8 2974 1 1 6 SER OG O 2.859 9.089 -1.633 1.00 . A A . 6 SER OG 1 1 8 2975 1 1 7 VAL C C 3.930 2.987 -2.149 1.00 . A A . 7 VAL C 1 1 8 2976 1 1 7 VAL CA C 2.570 3.537 -2.597 1.00 . A A . 7 VAL CA 1 1 8 2977 1 1 7 VAL CB C 2.292 3.396 -4.102 1.00 . A A . 7 VAL CB 1 1 8 2978 1 1 7 VAL CG1 C 3.400 3.971 -4.991 1.00 . A A . 7 VAL CG1 1 1 8 2979 1 1 7 VAL CG2 C 2.043 1.933 -4.443 1.00 . A A . 7 VAL CG2 1 1 8 2980 1 1 7 VAL H H 1.966 5.505 -2.938 1.00 . A A . 7 VAL H 1 1 8 2981 1 1 7 VAL HA H 1.808 2.965 -2.068 1.00 . A A . 7 VAL HA 1 1 8 2982 1 1 7 VAL HB H 1.369 3.932 -4.328 1.00 . A A . 7 VAL HB 1 1 8 2983 1 1 7 VAL HG11 H 4.305 3.372 -4.903 1.00 . A A . 7 VAL HG11 1 1 8 2984 1 1 7 VAL HG12 H 3.074 3.952 -6.032 1.00 . A A . 7 VAL HG12 1 1 8 2985 1 1 7 VAL HG13 H 3.615 5.003 -4.712 1.00 . A A . 7 VAL HG13 1 1 8 2986 1 1 7 VAL HG21 H 1.778 1.849 -5.496 1.00 . A A . 7 VAL HG21 1 1 8 2987 1 1 7 VAL HG22 H 2.936 1.345 -4.238 1.00 . A A . 7 VAL HG22 1 1 8 2988 1 1 7 VAL HG23 H 1.216 1.575 -3.832 1.00 . A A . 7 VAL HG23 1 1 8 2989 1 1 7 VAL N N 2.388 4.929 -2.228 1.00 . A A . 7 VAL N 1 1 8 2990 1 1 7 VAL O O 4.002 1.856 -1.679 1.00 . A A . 7 VAL O 1 1 8 2991 1 1 8 ARG C C 6.284 2.859 -0.342 1.00 . A A . 8 ARG C 1 1 8 2992 1 1 8 ARG CA C 6.323 3.501 -1.733 1.00 . A A . 8 ARG CA 1 1 8 2993 1 1 8 ARG CB C 7.188 4.771 -1.695 1.00 . A A . 8 ARG CB 1 1 8 2994 1 1 8 ARG CD C 6.930 5.393 -4.173 1.00 . A A . 8 ARG CD 1 1 8 2995 1 1 8 ARG CG C 7.895 5.077 -3.023 1.00 . A A . 8 ARG CG 1 1 8 2996 1 1 8 ARG CZ C 8.218 6.890 -5.716 1.00 . A A . 8 ARG CZ 1 1 8 2997 1 1 8 ARG H H 4.825 4.718 -2.629 1.00 . A A . 8 ARG H 1 1 8 2998 1 1 8 ARG HA H 6.791 2.784 -2.406 1.00 . A A . 8 ARG HA 1 1 8 2999 1 1 8 ARG HB3 H 7.980 4.618 -0.957 1.00 . A A . 8 ARG HB3 1 1 8 3000 1 1 8 ARG HD3 H 6.245 6.197 -3.901 1.00 . A A . 8 ARG HD3 1 1 8 3001 1 1 8 ARG HE H 7.701 4.954 -6.088 1.00 . A A . 8 ARG HE 1 1 8 3002 1 1 8 ARG HG3 H 8.509 4.218 -3.299 1.00 . A A . 8 ARG HG3 1 1 8 3003 1 1 8 ARG HH11 H 7.758 7.734 -3.930 1.00 . A A . 8 ARG HH11 1 1 8 3004 1 1 8 ARG HH12 H 8.597 8.792 -5.022 1.00 . A A . 8 ARG HH12 1 1 8 3005 1 1 8 ARG HH21 H 8.845 6.313 -7.577 1.00 . A A . 8 ARG HH21 1 1 8 3006 1 1 8 ARG HH22 H 9.250 7.942 -7.145 1.00 . A A . 8 ARG HH22 1 1 8 3007 1 1 8 ARG N N 4.985 3.808 -2.235 1.00 . A A . 8 ARG N 1 1 8 3008 1 1 8 ARG NE N 7.652 5.709 -5.417 1.00 . A A . 8 ARG NE 1 1 8 3009 1 1 8 ARG NH1 N 8.186 7.890 -4.830 1.00 . A A . 8 ARG NH1 1 1 8 3010 1 1 8 ARG NH2 N 8.816 7.063 -6.901 1.00 . A A . 8 ARG NH2 1 1 8 3011 1 1 8 ARG O O 6.985 1.882 -0.092 1.00 . A A . 8 ARG O 1 1 8 3012 1 1 9 ASP C C 4.827 1.429 1.856 1.00 . A A . 9 ASP C 1 1 8 3013 1 1 9 ASP CA C 5.379 2.846 1.910 1.00 . A A . 9 ASP CA 1 1 8 3014 1 1 9 ASP CB C 4.524 3.766 2.790 1.00 . A A . 9 ASP CB 1 1 8 3015 1 1 9 ASP CG C 5.345 4.644 3.717 1.00 . A A . 9 ASP CG 1 1 8 3016 1 1 9 ASP H H 4.813 4.121 0.322 1.00 . A A . 9 ASP H 1 1 8 3017 1 1 9 ASP HA H 6.387 2.765 2.306 1.00 . A A . 9 ASP HA 1 1 8 3018 1 1 9 ASP HB3 H 3.850 3.168 3.392 1.00 . A A . 9 ASP HB3 1 1 8 3019 1 1 9 ASP N N 5.468 3.391 0.569 1.00 . A A . 9 ASP N 1 1 8 3020 1 1 9 ASP O O 5.392 0.511 2.457 1.00 . A A . 9 ASP O 1 1 8 3021 1 1 9 ASP OD1 O 6.446 4.213 4.123 1.00 . A A . 9 ASP OD1 1 1 8 3022 1 1 9 ASP OD2 O 4.847 5.761 3.985 1.00 . A A . 9 ASP OD2 1 1 8 3023 1 1 10 CYS C C 4.447 -0.980 0.225 1.00 . A A . 10 CYS C 1 1 8 3024 1 1 10 CYS CA C 3.338 -0.164 0.883 1.00 . A A . 10 CYS CA 1 1 8 3025 1 1 10 CYS CB C 2.025 -0.366 0.115 1.00 . A A . 10 CYS CB 1 1 8 3026 1 1 10 CYS H H 3.399 1.952 0.495 1.00 . A A . 10 CYS H 1 1 8 3027 1 1 10 CYS HA H 3.200 -0.584 1.877 1.00 . A A . 10 CYS HA 1 1 8 3028 1 1 10 CYS HB3 H 2.356 -0.698 -0.826 1.00 . A A . 10 CYS HB3 1 1 8 3029 1 1 10 CYS N N 3.761 1.210 1.078 1.00 . A A . 10 CYS N 1 1 8 3030 1 1 10 CYS O O 4.555 -2.157 0.524 1.00 . A A . 10 CYS O 1 1 8 3031 1 1 10 CYS SG S 0.941 -1.652 0.792 1.00 . A A . 10 CYS SG 1 1 8 3032 1 1 11 GLN C C 7.329 -1.648 -0.248 1.00 . A A . 11 GLN C 1 1 8 3033 1 1 11 GLN CA C 6.337 -1.160 -1.311 1.00 . A A . 11 GLN CA 1 1 8 3034 1 1 11 GLN CB C 7.056 -0.372 -2.420 1.00 . A A . 11 GLN CB 1 1 8 3035 1 1 11 GLN CD C 6.881 0.740 -4.681 1.00 . A A . 11 GLN CD 1 1 8 3036 1 1 11 GLN CG C 6.147 -0.068 -3.615 1.00 . A A . 11 GLN CG 1 1 8 3037 1 1 11 GLN H H 5.093 0.559 -0.939 1.00 . A A . 11 GLN H 1 1 8 3038 1 1 11 GLN HA H 5.892 -2.027 -1.803 1.00 . A A . 11 GLN HA 1 1 8 3039 1 1 11 GLN HB3 H 7.884 -0.987 -2.777 1.00 . A A . 11 GLN HB3 1 1 8 3040 1 1 11 GLN HE21 H 8.025 -0.860 -5.195 1.00 . A A . 11 GLN HE21 1 1 8 3041 1 1 11 GLN HE22 H 8.323 0.618 -6.091 1.00 . A A . 11 GLN HE22 1 1 8 3042 1 1 11 GLN HG3 H 5.278 0.497 -3.290 1.00 . A A . 11 GLN HG3 1 1 8 3043 1 1 11 GLN N N 5.249 -0.410 -0.685 1.00 . A A . 11 GLN N 1 1 8 3044 1 1 11 GLN NE2 N 7.822 0.111 -5.377 1.00 . A A . 11 GLN NE2 1 1 8 3045 1 1 11 GLN O O 7.867 -2.745 -0.371 1.00 . A A . 11 GLN O 1 1 8 3046 1 1 11 GLN OE1 O 6.611 1.921 -4.879 1.00 . A A . 11 GLN OE1 1 1 8 3047 1 1 12 GLN C C 7.618 -2.603 2.549 1.00 . A A . 12 GLN C 1 1 8 3048 1 1 12 GLN CA C 8.307 -1.357 1.971 1.00 . A A . 12 GLN CA 1 1 8 3049 1 1 12 GLN CB C 8.462 -0.285 3.066 1.00 . A A . 12 GLN CB 1 1 8 3050 1 1 12 GLN CD C 9.540 1.916 3.718 1.00 . A A . 12 GLN CD 1 1 8 3051 1 1 12 GLN CG C 9.018 1.055 2.565 1.00 . A A . 12 GLN CG 1 1 8 3052 1 1 12 GLN H H 7.130 0.057 0.846 1.00 . A A . 12 GLN H 1 1 8 3053 1 1 12 GLN HA H 9.305 -1.642 1.633 1.00 . A A . 12 GLN HA 1 1 8 3054 1 1 12 GLN HB3 H 9.156 -0.686 3.807 1.00 . A A . 12 GLN HB3 1 1 8 3055 1 1 12 GLN HE21 H 7.814 3.117 3.967 1.00 . A A . 12 GLN HE21 1 1 8 3056 1 1 12 GLN HE22 H 9.159 3.392 5.014 1.00 . A A . 12 GLN HE22 1 1 8 3057 1 1 12 GLN HG3 H 8.259 1.600 2.014 1.00 . A A . 12 GLN HG3 1 1 8 3058 1 1 12 GLN N N 7.560 -0.863 0.814 1.00 . A A . 12 GLN N 1 1 8 3059 1 1 12 GLN NE2 N 8.769 2.860 4.256 1.00 . A A . 12 GLN NE2 1 1 8 3060 1 1 12 GLN O O 8.270 -3.588 2.889 1.00 . A A . 12 GLN O 1 1 8 3061 1 1 12 GLN OE1 O 10.678 1.729 4.137 1.00 . A A . 12 GLN OE1 1 1 8 3062 1 1 13 TYR C C 5.279 -4.835 2.505 1.00 . A A . 13 TYR C 1 1 8 3063 1 1 13 TYR CA C 5.467 -3.550 3.332 1.00 . A A . 13 TYR CA 1 1 8 3064 1 1 13 TYR CB C 4.099 -2.922 3.643 1.00 . A A . 13 TYR CB 1 1 8 3065 1 1 13 TYR CD1 C 2.612 -4.583 4.852 1.00 . A A . 13 TYR CD1 1 1 8 3066 1 1 13 TYR CD2 C 3.631 -2.775 6.125 1.00 . A A . 13 TYR CD2 1 1 8 3067 1 1 13 TYR CE1 C 1.974 -5.045 6.016 1.00 . A A . 13 TYR CE1 1 1 8 3068 1 1 13 TYR CE2 C 2.996 -3.239 7.289 1.00 . A A . 13 TYR CE2 1 1 8 3069 1 1 13 TYR CG C 3.435 -3.441 4.901 1.00 . A A . 13 TYR CG 1 1 8 3070 1 1 13 TYR CZ C 2.167 -4.371 7.235 1.00 . A A . 13 TYR CZ 1 1 8 3071 1 1 13 TYR H H 5.840 -1.679 2.377 1.00 . A A . 13 TYR H 1 1 8 3072 1 1 13 TYR HA H 5.950 -3.814 4.275 1.00 . A A . 13 TYR HA 1 1 8 3073 1 1 13 TYR HB3 H 3.429 -3.071 2.796 1.00 . A A . 13 TYR HB3 1 1 8 3074 1 1 13 TYR HD1 H 2.474 -5.112 3.924 1.00 . A A . 13 TYR HD1 1 1 8 3075 1 1 13 TYR HD2 H 4.268 -1.905 6.175 1.00 . A A . 13 TYR HD2 1 1 8 3076 1 1 13 TYR HE1 H 1.345 -5.920 5.964 1.00 . A A . 13 TYR HE1 1 1 8 3077 1 1 13 TYR HE2 H 3.146 -2.727 8.229 1.00 . A A . 13 TYR HE2 1 1 8 3078 1 1 13 TYR HH H 1.014 -5.594 8.221 1.00 . A A . 13 TYR HH 1 1 8 3079 1 1 13 TYR N N 6.292 -2.537 2.681 1.00 . A A . 13 TYR N 1 1 8 3080 1 1 13 TYR O O 5.093 -5.913 3.068 1.00 . A A . 13 TYR O 1 1 8 3081 1 1 13 TYR OH O 1.552 -4.814 8.367 1.00 . A A . 13 TYR OH 1 1 8 3082 1 1 14 CYS C C 5.445 -5.636 -1.062 1.00 . A A . 14 CYS C 1 1 8 3083 1 1 14 CYS CA C 4.665 -5.682 0.243 1.00 . A A . 14 CYS CA 1 1 8 3084 1 1 14 CYS CB C 3.205 -5.313 -0.063 1.00 . A A . 14 CYS CB 1 1 8 3085 1 1 14 CYS H H 5.448 -3.797 0.801 1.00 . A A . 14 CYS H 1 1 8 3086 1 1 14 CYS HA H 4.709 -6.689 0.661 1.00 . A A . 14 CYS HA 1 1 8 3087 1 1 14 CYS HB3 H 2.862 -5.755 -1.004 1.00 . A A . 14 CYS HB3 1 1 8 3088 1 1 14 CYS N N 5.234 -4.712 1.177 1.00 . A A . 14 CYS N 1 1 8 3089 1 1 14 CYS O O 5.750 -4.557 -1.556 1.00 . A A . 14 CYS O 1 1 8 3090 1 1 14 CYS SG S 2.027 -5.811 1.211 1.00 . A A . 14 CYS SG 1 1 8 3091 1 1 15 LEU C C 5.551 -6.146 -4.012 1.00 . A A . 15 LEU C 1 1 8 3092 1 1 15 LEU CA C 6.375 -6.889 -2.951 1.00 . A A . 15 LEU CA 1 1 8 3093 1 1 15 LEU CB C 6.606 -8.368 -3.313 1.00 . A A . 15 LEU CB 1 1 8 3094 1 1 15 LEU CD1 C 7.802 -7.874 -5.535 1.00 . A A . 15 LEU CD1 1 1 8 3095 1 1 15 LEU CD2 C 9.149 -8.436 -3.493 1.00 . A A . 15 LEU CD2 1 1 8 3096 1 1 15 LEU CG C 7.816 -8.659 -4.221 1.00 . A A . 15 LEU CG 1 1 8 3097 1 1 15 LEU H H 5.440 -7.658 -1.195 1.00 . A A . 15 LEU H 1 1 8 3098 1 1 15 LEU HA H 7.338 -6.385 -2.847 1.00 . A A . 15 LEU HA 1 1 8 3099 1 1 15 LEU HB3 H 5.709 -8.763 -3.789 1.00 . A A . 15 LEU HB3 1 1 8 3100 1 1 15 LEU HD11 H 6.830 -7.971 -6.019 1.00 . A A . 15 LEU HD11 1 1 8 3101 1 1 15 LEU HD12 H 8.021 -6.823 -5.355 1.00 . A A . 15 LEU HD12 1 1 8 3102 1 1 15 LEU HD13 H 8.566 -8.274 -6.204 1.00 . A A . 15 LEU HD13 1 1 8 3103 1 1 15 LEU HD21 H 9.969 -8.776 -4.127 1.00 . A A . 15 LEU HD21 1 1 8 3104 1 1 15 LEU HD22 H 9.301 -7.380 -3.269 1.00 . A A . 15 LEU HD22 1 1 8 3105 1 1 15 LEU HD23 H 9.167 -9.006 -2.565 1.00 . A A . 15 LEU HD23 1 1 8 3106 1 1 15 LEU HG H 7.766 -9.720 -4.476 1.00 . A A . 15 LEU HG 1 1 8 3107 1 1 15 LEU N N 5.706 -6.803 -1.657 1.00 . A A . 15 LEU N 1 1 8 3108 1 1 15 LEU O O 6.084 -5.310 -4.737 1.00 . A A . 15 LEU O 1 1 8 3109 1 1 16 THR C C 2.095 -5.263 -4.504 1.00 . A A . 16 THR C 1 1 8 3110 1 1 16 THR CA C 3.354 -5.901 -5.106 1.00 . A A . 16 THR CA 1 1 8 3111 1 1 16 THR CB C 3.007 -7.016 -6.106 1.00 . A A . 16 THR CB 1 1 8 3112 1 1 16 THR CG2 C 2.429 -6.410 -7.387 1.00 . A A . 16 THR CG2 1 1 8 3113 1 1 16 THR H H 3.879 -7.139 -3.455 1.00 . A A . 16 THR H 1 1 8 3114 1 1 16 THR HA H 3.867 -5.121 -5.671 1.00 . A A . 16 THR HA 1 1 8 3115 1 1 16 THR HB H 2.281 -7.703 -5.664 1.00 . A A . 16 THR HB 1 1 8 3116 1 1 16 THR HG1 H 3.935 -8.442 -7.063 1.00 . A A . 16 THR HG1 1 1 8 3117 1 1 16 THR HG21 H 1.563 -5.793 -7.149 1.00 . A A . 16 THR HG21 1 1 8 3118 1 1 16 THR HG22 H 3.183 -5.783 -7.865 1.00 . A A . 16 THR HG22 1 1 8 3119 1 1 16 THR HG23 H 2.129 -7.201 -8.073 1.00 . A A . 16 THR HG23 1 1 8 3120 1 1 16 THR N N 4.244 -6.436 -4.077 1.00 . A A . 16 THR N 1 1 8 3121 1 1 16 THR O O 1.018 -5.868 -4.516 1.00 . A A . 16 THR O 1 1 8 3122 1 1 16 THR OG1 O 4.167 -7.754 -6.436 1.00 . A A . 16 THR OG1 1 1 8 3123 1 1 17 PRO C C 0.019 -3.041 -4.519 1.00 . A A . 17 PRO C 1 1 8 3124 1 1 17 PRO CA C 1.062 -3.341 -3.440 1.00 . A A . 17 PRO CA 1 1 8 3125 1 1 17 PRO CB C 1.596 -2.115 -2.697 1.00 . A A . 17 PRO CB 1 1 8 3126 1 1 17 PRO CD C 3.368 -3.517 -3.304 1.00 . A A . 17 PRO CD 1 1 8 3127 1 1 17 PRO CG C 3.100 -2.100 -2.901 1.00 . A A . 17 PRO CG 1 1 8 3128 1 1 17 PRO HA H 0.686 -4.009 -2.675 1.00 . A A . 17 PRO HA 1 1 8 3129 1 1 17 PRO HB3 H 1.314 -2.206 -1.659 1.00 . A A . 17 PRO HB3 1 1 8 3130 1 1 17 PRO HD3 H 3.334 -3.964 -2.342 1.00 . A A . 17 PRO HD3 1 1 8 3131 1 1 17 PRO HG3 H 3.642 -1.893 -1.994 1.00 . A A . 17 PRO HG3 1 1 8 3132 1 1 17 PRO N N 2.202 -4.042 -3.962 1.00 . A A . 17 PRO N 1 1 8 3133 1 1 17 PRO O O 0.353 -2.840 -5.684 1.00 . A A . 17 PRO O 1 1 8 3134 1 1 18 ASP C C -2.261 -1.047 -4.959 1.00 . A A . 18 ASP C 1 1 8 3135 1 1 18 ASP CA C -2.378 -2.566 -4.890 1.00 . A A . 18 ASP CA 1 1 8 3136 1 1 18 ASP CB C -3.677 -3.012 -4.187 1.00 . A A . 18 ASP CB 1 1 8 3137 1 1 18 ASP CG C -4.934 -2.864 -5.037 1.00 . A A . 18 ASP CG 1 1 8 3138 1 1 18 ASP H H -1.403 -3.122 -3.119 1.00 . A A . 18 ASP H 1 1 8 3139 1 1 18 ASP HA H -2.324 -2.987 -5.894 1.00 . A A . 18 ASP HA 1 1 8 3140 1 1 18 ASP HB3 H -3.817 -2.422 -3.288 1.00 . A A . 18 ASP HB3 1 1 8 3141 1 1 18 ASP N N -1.248 -3.031 -4.111 1.00 . A A . 18 ASP N 1 1 8 3142 1 1 18 ASP O O -2.199 -0.465 -6.038 1.00 . A A . 18 ASP O 1 1 8 3143 1 1 18 ASP OD1 O -4.857 -3.128 -6.256 1.00 . A A . 18 ASP OD1 1 1 8 3144 1 1 18 ASP OD2 O -6.001 -2.553 -4.457 1.00 . A A . 18 ASP OD2 1 1 8 3145 1 1 19 ARG C C -1.719 1.429 -2.277 1.00 . A A . 19 ARG C 1 1 8 3146 1 1 19 ARG CA C -2.183 1.046 -3.680 1.00 . A A . 19 ARG CA 1 1 8 3147 1 1 19 ARG CB C -3.578 1.655 -3.933 1.00 . A A . 19 ARG CB 1 1 8 3148 1 1 19 ARG CD C -6.128 1.108 -4.240 1.00 . A A . 19 ARG CD 1 1 8 3149 1 1 19 ARG CG C -4.743 0.691 -3.736 1.00 . A A . 19 ARG CG 1 1 8 3150 1 1 19 ARG CZ C -8.044 -0.348 -4.978 1.00 . A A . 19 ARG CZ 1 1 8 3151 1 1 19 ARG H H -2.393 -0.902 -2.914 1.00 . A A . 19 ARG H 1 1 8 3152 1 1 19 ARG HA H -1.471 1.446 -4.404 1.00 . A A . 19 ARG HA 1 1 8 3153 1 1 19 ARG HB3 H -3.621 2.117 -4.920 1.00 . A A . 19 ARG HB3 1 1 8 3154 1 1 19 ARG HD3 H -6.022 1.500 -5.255 1.00 . A A . 19 ARG HD3 1 1 8 3155 1 1 19 ARG HE H -6.451 -0.958 -3.970 1.00 . A A . 19 ARG HE 1 1 8 3156 1 1 19 ARG HG3 H -4.738 0.375 -2.704 1.00 . A A . 19 ARG HG3 1 1 8 3157 1 1 19 ARG HH11 H -8.522 1.607 -5.208 1.00 . A A . 19 ARG HH11 1 1 8 3158 1 1 19 ARG HH12 H -9.633 0.500 -5.965 1.00 . A A . 19 ARG HH12 1 1 8 3159 1 1 19 ARG HH21 H -7.603 -2.292 -4.966 1.00 . A A . 19 ARG HH21 1 1 8 3160 1 1 19 ARG HH22 H -9.156 -1.926 -5.738 1.00 . A A . 19 ARG HH22 1 1 8 3161 1 1 19 ARG N N -2.235 -0.401 -3.786 1.00 . A A . 19 ARG N 1 1 8 3162 1 1 19 ARG NE N -6.940 -0.111 -4.270 1.00 . A A . 19 ARG NE 1 1 8 3163 1 1 19 ARG NH1 N -8.799 0.661 -5.424 1.00 . A A . 19 ARG NH1 1 1 8 3164 1 1 19 ARG NH2 N -8.342 -1.623 -5.231 1.00 . A A . 19 ARG NH2 1 1 8 3165 1 1 19 ARG O O -1.879 0.650 -1.343 1.00 . A A . 19 ARG O 1 1 8 3166 1 1 20 CYS C C -2.826 4.215 -1.244 1.00 . A A . 20 CYS C 1 1 8 3167 1 1 20 CYS CA C -1.564 3.428 -0.912 1.00 . A A . 20 CYS CA 1 1 8 3168 1 1 20 CYS CB C -0.421 4.372 -0.553 1.00 . A A . 20 CYS CB 1 1 8 3169 1 1 20 CYS H H -1.175 3.241 -2.953 1.00 . A A . 20 CYS H 1 1 8 3170 1 1 20 CYS HA H -1.743 2.766 -0.070 1.00 . A A . 20 CYS HA 1 1 8 3171 1 1 20 CYS HB3 H -0.264 5.071 -1.372 1.00 . A A . 20 CYS HB3 1 1 8 3172 1 1 20 CYS N N -1.264 2.675 -2.121 1.00 . A A . 20 CYS N 1 1 8 3173 1 1 20 CYS O O -2.848 4.920 -2.253 1.00 . A A . 20 CYS O 1 1 8 3174 1 1 20 CYS SG S -0.740 5.320 0.949 1.00 . A A . 20 CYS SG 1 1 8 3175 1 1 21 SER C C -6.094 4.533 0.388 1.00 . A A . 21 SER C 1 1 8 3176 1 1 21 SER CA C -5.218 4.550 -0.860 1.00 . A A . 21 SER CA 1 1 8 3177 1 1 21 SER CB C -5.812 3.708 -1.996 1.00 . A A . 21 SER CB 1 1 8 3178 1 1 21 SER H H -3.898 3.377 0.284 1.00 . A A . 21 SER H 1 1 8 3179 1 1 21 SER HA H -5.115 5.588 -1.180 1.00 . A A . 21 SER HA 1 1 8 3180 1 1 21 SER HB3 H -6.897 3.765 -1.939 1.00 . A A . 21 SER HB3 1 1 8 3181 1 1 21 SER HG H -4.469 4.556 -3.129 1.00 . A A . 21 SER HG 1 1 8 3182 1 1 21 SER N N -3.917 4.011 -0.510 1.00 . A A . 21 SER N 1 1 8 3183 1 1 21 SER O O -5.962 3.628 1.201 1.00 . A A . 21 SER O 1 1 8 3184 1 1 21 SER OG O -5.384 4.254 -3.228 1.00 . A A . 21 SER OG 1 1 8 3185 1 1 22 TYR C C -6.923 5.574 3.042 1.00 . A A . 22 TYR C 1 1 8 3186 1 1 22 TYR CA C -7.780 5.677 1.769 1.00 . A A . 22 TYR CA 1 1 8 3187 1 1 22 TYR CB C -8.936 4.677 1.715 1.00 . A A . 22 TYR CB 1 1 8 3188 1 1 22 TYR CD1 C -10.933 5.955 2.610 1.00 . A A . 22 TYR CD1 1 1 8 3189 1 1 22 TYR CD2 C -10.174 3.981 3.819 1.00 . A A . 22 TYR CD2 1 1 8 3190 1 1 22 TYR CE1 C -11.961 6.136 3.551 1.00 . A A . 22 TYR CE1 1 1 8 3191 1 1 22 TYR CE2 C -11.205 4.164 4.759 1.00 . A A . 22 TYR CE2 1 1 8 3192 1 1 22 TYR CG C -10.031 4.881 2.746 1.00 . A A . 22 TYR CG 1 1 8 3193 1 1 22 TYR CZ C -12.094 5.242 4.626 1.00 . A A . 22 TYR CZ 1 1 8 3194 1 1 22 TYR H H -7.021 6.258 -0.136 1.00 . A A . 22 TYR H 1 1 8 3195 1 1 22 TYR HA H -8.246 6.647 1.751 1.00 . A A . 22 TYR HA 1 1 8 3196 1 1 22 TYR HB3 H -8.493 3.704 1.845 1.00 . A A . 22 TYR HB3 1 1 8 3197 1 1 22 TYR HD1 H -10.839 6.639 1.779 1.00 . A A . 22 TYR HD1 1 1 8 3198 1 1 22 TYR HD2 H -9.484 3.159 3.941 1.00 . A A . 22 TYR HD2 1 1 8 3199 1 1 22 TYR HE1 H -12.645 6.963 3.437 1.00 . A A . 22 TYR HE1 1 1 8 3200 1 1 22 TYR HE2 H -11.306 3.480 5.587 1.00 . A A . 22 TYR HE2 1 1 8 3201 1 1 22 TYR HH H -13.643 6.175 5.362 1.00 . A A . 22 TYR HH 1 1 8 3202 1 1 22 TYR N N -6.953 5.540 0.570 1.00 . A A . 22 TYR N 1 1 8 3203 1 1 22 TYR O O -7.270 4.879 3.995 1.00 . A A . 22 TYR O 1 1 8 3204 1 1 22 TYR OH O -13.092 5.409 5.540 1.00 . A A . 22 TYR OH 1 1 8 3205 1 1 23 GLY C C -4.372 4.802 4.554 1.00 . A A . 23 GLY C 1 1 8 3206 1 1 23 GLY CA C -4.796 6.213 4.128 1.00 . A A . 23 GLY CA 1 1 8 3207 1 1 23 GLY H H -5.530 6.780 2.216 1.00 . A A . 23 GLY H 1 1 8 3208 1 1 23 GLY HA2 H -3.905 6.760 3.816 1.00 . A A . 23 GLY HA2 1 1 8 3209 1 1 23 GLY HA3 H -5.235 6.719 4.988 1.00 . A A . 23 GLY HA3 1 1 8 3210 1 1 23 GLY N N -5.759 6.234 3.032 1.00 . A A . 23 GLY N 1 1 8 3211 1 1 23 GLY O O -3.897 4.620 5.672 1.00 . A A . 23 GLY O 1 1 8 3212 1 1 24 THR C C -3.398 1.877 2.834 1.00 . A A . 24 THR C 1 1 8 3213 1 1 24 THR CA C -4.334 2.402 3.920 1.00 . A A . 24 THR CA 1 1 8 3214 1 1 24 THR CB C -5.702 1.701 3.877 1.00 . A A . 24 THR CB 1 1 8 3215 1 1 24 THR CG2 C -5.618 0.205 4.190 1.00 . A A . 24 THR CG2 1 1 8 3216 1 1 24 THR H H -4.878 4.042 2.745 1.00 . A A . 24 THR H 1 1 8 3217 1 1 24 THR HA H -3.890 2.257 4.901 1.00 . A A . 24 THR HA 1 1 8 3218 1 1 24 THR HB H -6.130 1.811 2.881 1.00 . A A . 24 THR HB 1 1 8 3219 1 1 24 THR HG1 H -6.739 3.219 4.548 1.00 . A A . 24 THR HG1 1 1 8 3220 1 1 24 THR HG21 H -4.980 -0.308 3.471 1.00 . A A . 24 THR HG21 1 1 8 3221 1 1 24 THR HG22 H -5.225 0.055 5.194 1.00 . A A . 24 THR HG22 1 1 8 3222 1 1 24 THR HG23 H -6.618 -0.228 4.140 1.00 . A A . 24 THR HG23 1 1 8 3223 1 1 24 THR N N -4.531 3.818 3.667 1.00 . A A . 24 THR N 1 1 8 3224 1 1 24 THR O O -3.557 2.237 1.668 1.00 . A A . 24 THR O 1 1 8 3225 1 1 24 THR OG1 O -6.580 2.301 4.809 1.00 . A A . 24 THR OG1 1 1 8 3226 1 1 25 CYS C C -2.206 -0.975 1.924 1.00 . A A . 25 CYS C 1 1 8 3227 1 1 25 CYS CA C -1.567 0.384 2.217 1.00 . A A . 25 CYS CA 1 1 8 3228 1 1 25 CYS CB C -0.093 0.368 2.656 1.00 . A A . 25 CYS CB 1 1 8 3229 1 1 25 CYS H H -2.372 0.723 4.158 1.00 . A A . 25 CYS H 1 1 8 3230 1 1 25 CYS HA H -1.567 0.956 1.291 1.00 . A A . 25 CYS HA 1 1 8 3231 1 1 25 CYS HB3 H 0.029 0.897 3.599 1.00 . A A . 25 CYS HB3 1 1 8 3232 1 1 25 CYS N N -2.411 1.053 3.197 1.00 . A A . 25 CYS N 1 1 8 3233 1 1 25 CYS O O -2.433 -1.783 2.821 1.00 . A A . 25 CYS O 1 1 8 3234 1 1 25 CYS SG S 0.720 -1.220 2.799 1.00 . A A . 25 CYS SG 1 1 8 3235 1 1 26 TYR C C -2.432 -3.110 -0.722 1.00 . A A . 26 TYR C 1 1 8 3236 1 1 26 TYR CA C -3.367 -2.287 0.150 1.00 . A A . 26 TYR CA 1 1 8 3237 1 1 26 TYR CB C -4.501 -1.729 -0.718 1.00 . A A . 26 TYR CB 1 1 8 3238 1 1 26 TYR CD1 C -6.553 -2.021 0.720 1.00 . A A . 26 TYR CD1 1 1 8 3239 1 1 26 TYR CD2 C -5.928 0.229 0.039 1.00 . A A . 26 TYR CD2 1 1 8 3240 1 1 26 TYR CE1 C -7.712 -1.515 1.334 1.00 . A A . 26 TYR CE1 1 1 8 3241 1 1 26 TYR CE2 C -7.131 0.720 0.579 1.00 . A A . 26 TYR CE2 1 1 8 3242 1 1 26 TYR CG C -5.662 -1.151 0.064 1.00 . A A . 26 TYR CG 1 1 8 3243 1 1 26 TYR CZ C -8.003 -0.145 1.258 1.00 . A A . 26 TYR CZ 1 1 8 3244 1 1 26 TYR H H -2.327 -0.472 -0.019 1.00 . A A . 26 TYR H 1 1 8 3245 1 1 26 TYR HA H -3.769 -2.903 0.957 1.00 . A A . 26 TYR HA 1 1 8 3246 1 1 26 TYR HB3 H -4.912 -2.538 -1.323 1.00 . A A . 26 TYR HB3 1 1 8 3247 1 1 26 TYR HD1 H -6.360 -3.084 0.740 1.00 . A A . 26 TYR HD1 1 1 8 3248 1 1 26 TYR HD2 H -5.222 0.911 -0.408 1.00 . A A . 26 TYR HD2 1 1 8 3249 1 1 26 TYR HE1 H -8.390 -2.183 1.846 1.00 . A A . 26 TYR HE1 1 1 8 3250 1 1 26 TYR HE2 H -7.377 1.764 0.483 1.00 . A A . 26 TYR HE2 1 1 8 3251 1 1 26 TYR HH H -9.200 1.296 1.809 1.00 . A A . 26 TYR HH 1 1 8 3252 1 1 26 TYR N N -2.608 -1.162 0.667 1.00 . A A . 26 TYR N 1 1 8 3253 1 1 26 TYR O O -1.671 -2.508 -1.482 1.00 . A A . 26 TYR O 1 1 8 3254 1 1 26 TYR OH O -9.137 0.339 1.839 1.00 . A A . 26 TYR OH 1 1 8 3255 1 1 27 CYS C C -2.357 -6.411 -2.147 1.00 . A A . 27 CYS C 1 1 8 3256 1 1 27 CYS CA C -1.599 -5.343 -1.374 1.00 . A A . 27 CYS CA 1 1 8 3257 1 1 27 CYS CB C -0.555 -5.978 -0.452 1.00 . A A . 27 CYS CB 1 1 8 3258 1 1 27 CYS H H -3.151 -4.890 -0.023 1.00 . A A . 27 CYS H 1 1 8 3259 1 1 27 CYS HA H -1.081 -4.770 -2.119 1.00 . A A . 27 CYS HA 1 1 8 3260 1 1 27 CYS HB3 H 0.206 -6.443 -1.075 1.00 . A A . 27 CYS HB3 1 1 8 3261 1 1 27 CYS N N -2.491 -4.449 -0.644 1.00 . A A . 27 CYS N 1 1 8 3262 1 1 27 CYS O O -3.386 -6.894 -1.674 1.00 . A A . 27 CYS O 1 1 8 3263 1 1 27 CYS SG S 0.302 -4.826 0.631 1.00 . A A . 27 CYS SG 1 1 8 3264 1 1 28 LYS C C -2.309 -9.165 -3.756 1.00 . A A . 28 LYS C 1 1 8 3265 1 1 28 LYS CA C -2.423 -7.724 -4.271 1.00 . A A . 28 LYS CA 1 1 8 3266 1 1 28 LYS CB C -1.733 -7.565 -5.639 1.00 . A A . 28 LYS CB 1 1 8 3267 1 1 28 LYS CD C -2.915 -5.867 -7.189 1.00 . A A . 28 LYS CD 1 1 8 3268 1 1 28 LYS CE C -4.296 -6.132 -6.576 1.00 . A A . 28 LYS CE 1 1 8 3269 1 1 28 LYS CG C -1.765 -6.136 -6.209 1.00 . A A . 28 LYS CG 1 1 8 3270 1 1 28 LYS H H -0.951 -6.366 -3.604 1.00 . A A . 28 LYS H 1 1 8 3271 1 1 28 LYS HA H -3.484 -7.503 -4.370 1.00 . A A . 28 LYS HA 1 1 8 3272 1 1 28 LYS HB3 H -2.171 -8.255 -6.361 1.00 . A A . 28 LYS HB3 1 1 8 3273 1 1 28 LYS HD3 H -2.780 -6.484 -8.081 1.00 . A A . 28 LYS HD3 1 1 8 3274 1 1 28 LYS HE3 H -4.314 -5.748 -5.556 1.00 . A A . 28 LYS HE3 1 1 8 3275 1 1 28 LYS HG3 H -0.835 -5.976 -6.757 1.00 . A A . 28 LYS HG3 1 1 8 3276 1 1 28 LYS HZ1 H -6.263 -5.654 -6.928 1.00 . A A . 28 LYS HZ1 1 1 8 3277 1 1 28 LYS HZ2 H -5.210 -4.431 -7.185 1.00 . A A . 28 LYS HZ2 1 1 8 3278 1 1 28 LYS HZ3 H -5.338 -5.652 -8.303 1.00 . A A . 28 LYS HZ3 1 1 8 3279 1 1 28 LYS N N -1.829 -6.786 -3.321 1.00 . A A . 28 LYS N 1 1 8 3280 1 1 28 LYS NZ N -5.360 -5.433 -7.318 1.00 . A A . 28 LYS NZ 1 1 8 3281 1 1 28 LYS O O -1.779 -10.053 -4.419 1.00 . A A . 28 LYS O 1 1 8 3282 1 1 29 THR C C -3.820 -11.628 -2.294 1.00 . A A . 29 THR C 1 1 8 3283 1 1 29 THR CA C -2.749 -10.643 -1.814 1.00 . A A . 29 THR CA 1 1 8 3284 1 1 29 THR CB C -2.857 -10.281 -0.321 1.00 . A A . 29 THR CB 1 1 8 3285 1 1 29 THR CG2 C -1.502 -9.787 0.194 1.00 . A A . 29 THR CG2 1 1 8 3286 1 1 29 THR H H -3.348 -8.649 -2.123 1.00 . A A . 29 THR H 1 1 8 3287 1 1 29 THR HA H -1.780 -11.115 -1.991 1.00 . A A . 29 THR HA 1 1 8 3288 1 1 29 THR HB H -3.141 -11.160 0.263 1.00 . A A . 29 THR HB 1 1 8 3289 1 1 29 THR HG1 H -3.476 -8.398 -0.408 1.00 . A A . 29 THR HG1 1 1 8 3290 1 1 29 THR HG21 H -1.603 -9.441 1.223 1.00 . A A . 29 THR HG21 1 1 8 3291 1 1 29 THR HG22 H -0.780 -10.604 0.169 1.00 . A A . 29 THR HG22 1 1 8 3292 1 1 29 THR HG23 H -1.133 -8.973 -0.428 1.00 . A A . 29 THR HG23 1 1 8 3293 1 1 29 THR N N -2.842 -9.405 -2.563 1.00 . A A . 29 THR N 1 1 8 3294 1 1 29 THR O O -4.510 -12.269 -1.503 1.00 . A A . 29 THR O 1 1 8 3295 1 1 29 THR OG1 O -3.819 -9.253 -0.119 1.00 . A A . 29 THR OG1 1 1 8 3296 1 1 30 THR C C -4.695 -14.015 -4.227 1.00 . A A . 30 THR C 1 1 8 3297 1 1 30 THR CA C -5.022 -12.517 -4.253 1.00 . A A . 30 THR CA 1 1 8 3298 1 1 30 THR CB C -5.227 -11.955 -5.670 1.00 . A A . 30 THR CB 1 1 8 3299 1 1 30 THR CG2 C -6.576 -12.379 -6.262 1.00 . A A . 30 THR CG2 1 1 8 3300 1 1 30 THR H H -3.332 -11.239 -4.221 1.00 . A A . 30 THR H 1 1 8 3301 1 1 30 THR HA H -5.945 -12.361 -3.690 1.00 . A A . 30 THR HA 1 1 8 3302 1 1 30 THR HB H -4.423 -12.295 -6.324 1.00 . A A . 30 THR HB 1 1 8 3303 1 1 30 THR HG1 H -5.805 -10.249 -4.938 1.00 . A A . 30 THR HG1 1 1 8 3304 1 1 30 THR HG21 H -6.687 -11.943 -7.254 1.00 . A A . 30 THR HG21 1 1 8 3305 1 1 30 THR HG22 H -6.623 -13.465 -6.351 1.00 . A A . 30 THR HG22 1 1 8 3306 1 1 30 THR HG23 H -7.395 -12.038 -5.629 1.00 . A A . 30 THR HG23 1 1 8 3307 1 1 30 THR N N -3.958 -11.760 -3.615 1.00 . A A . 30 THR N 1 1 8 3308 1 1 30 THR O O -4.512 -14.645 -5.264 1.00 . A A . 30 THR O 1 1 8 3309 1 1 30 THR OG1 O -5.186 -10.540 -5.612 1.00 . A A . 30 THR OG1 1 1 8 3310 1 1 31 NH2 HN1 H -4.734 -14.019 -2.202 1.00 . A A . 31 NH2 HN1 1 1 8 3311 1 1 31 NH2 HN2 H -4.398 -15.575 -2.961 1.00 . A A . 31 NH2 HN2 1 1 8 3312 1 1 31 NH2 N N -4.612 -14.593 -3.031 1.00 . A A . 31 NH2 N 1 1 9 3313 1 1 1 PCA C C -0.311 8.307 7.764 1.00 . A A . 1 PCA C 1 1 9 3314 1 1 1 PCA CA C 0.794 8.946 6.927 1.00 . A A . 1 PCA CA 1 1 9 3315 1 1 1 PCA CB C 2.113 8.201 7.157 1.00 . A A . 1 PCA CB 1 1 9 3316 1 1 1 PCA CD C 2.049 10.328 8.270 1.00 . A A . 1 PCA CD 1 1 9 3317 1 1 1 PCA CG C 2.681 8.949 8.364 1.00 . A A . 1 PCA CG 1 1 9 3318 1 1 1 PCA HA H 0.512 8.952 5.876 1.00 . A A . 1 PCA HA 1 1 9 3319 1 1 1 PCA HB2 H 2.772 8.358 6.304 1.00 . A A . 1 PCA HB2 1 1 9 3320 1 1 1 PCA HB3 H 1.984 7.133 7.343 1.00 . A A . 1 PCA HB3 1 1 9 3321 1 1 1 PCA HG2 H 2.362 8.472 9.291 1.00 . A A . 1 PCA HG2 1 1 9 3322 1 1 1 PCA HG3 H 3.769 8.998 8.321 1.00 . A A . 1 PCA HG3 1 1 9 3323 1 1 1 PCA N N 1.052 10.298 7.386 1.00 . A A . 1 PCA N 1 1 9 3324 1 1 1 PCA O O -0.508 8.682 8.917 1.00 . A A . 1 PCA O 1 1 9 3325 1 1 1 PCA OE O 2.542 11.309 8.804 1.00 . A A . 1 PCA OE 1 1 9 3326 1 1 2 THR C C -1.154 5.118 8.117 1.00 . A A . 2 THR C 1 1 9 3327 1 1 2 THR CA C -1.893 6.444 7.945 1.00 . A A . 2 THR CA 1 1 9 3328 1 1 2 THR CB C -3.273 6.396 7.275 1.00 . A A . 2 THR CB 1 1 9 3329 1 1 2 THR CG2 C -4.318 5.690 8.151 1.00 . A A . 2 THR CG2 1 1 9 3330 1 1 2 THR H H -0.749 7.050 6.245 1.00 . A A . 2 THR H 1 1 9 3331 1 1 2 THR HA H -2.064 6.791 8.953 1.00 . A A . 2 THR HA 1 1 9 3332 1 1 2 THR HB H -3.172 5.928 6.301 1.00 . A A . 2 THR HB 1 1 9 3333 1 1 2 THR HG1 H -2.995 8.268 6.811 1.00 . A A . 2 THR HG1 1 1 9 3334 1 1 2 THR HG21 H -5.290 5.722 7.659 1.00 . A A . 2 THR HG21 1 1 9 3335 1 1 2 THR HG22 H -4.058 4.650 8.334 1.00 . A A . 2 THR HG22 1 1 9 3336 1 1 2 THR HG23 H -4.402 6.207 9.107 1.00 . A A . 2 THR HG23 1 1 9 3337 1 1 2 THR N N -1.006 7.324 7.190 1.00 . A A . 2 THR N 1 1 9 3338 1 1 2 THR O O -0.095 5.098 8.739 1.00 . A A . 2 THR O 1 1 9 3339 1 1 2 THR OG1 O -3.739 7.713 7.057 1.00 . A A . 2 THR OG1 1 1 9 3340 1 1 3 GLN C C 0.465 3.242 6.545 1.00 . A A . 3 GLN C 1 1 9 3341 1 1 3 GLN CA C -0.782 2.853 7.340 1.00 . A A . 3 GLN CA 1 1 9 3342 1 1 3 GLN CB C -1.514 1.748 6.574 1.00 . A A . 3 GLN CB 1 1 9 3343 1 1 3 GLN CD C -3.232 -0.073 6.738 1.00 . A A . 3 GLN CD 1 1 9 3344 1 1 3 GLN CG C -2.628 1.105 7.398 1.00 . A A . 3 GLN CG 1 1 9 3345 1 1 3 GLN H H -2.525 4.090 7.042 1.00 . A A . 3 GLN H 1 1 9 3346 1 1 3 GLN HA H -0.473 2.470 8.313 1.00 . A A . 3 GLN HA 1 1 9 3347 1 1 3 GLN HB3 H -0.787 0.974 6.323 1.00 . A A . 3 GLN HB3 1 1 9 3348 1 1 3 GLN HE21 H -4.416 -0.206 8.393 1.00 . A A . 3 GLN HE21 1 1 9 3349 1 1 3 GLN HE22 H -4.434 -1.496 7.246 1.00 . A A . 3 GLN HE22 1 1 9 3350 1 1 3 GLN HG3 H -3.493 1.731 7.573 1.00 . A A . 3 GLN HG3 1 1 9 3351 1 1 3 GLN N N -1.632 4.029 7.512 1.00 . A A . 3 GLN N 1 1 9 3352 1 1 3 GLN NE2 N -4.154 -0.607 7.506 1.00 . A A . 3 GLN NE2 1 1 9 3353 1 1 3 GLN O O 1.567 2.772 6.825 1.00 . A A . 3 GLN O 1 1 9 3354 1 1 3 GLN OE1 O -2.883 -0.500 5.641 1.00 . A A . 3 GLN OE1 1 1 9 3355 1 1 4 CYS C C 1.162 6.004 4.367 1.00 . A A . 4 CYS C 1 1 9 3356 1 1 4 CYS CA C 1.226 4.496 4.542 1.00 . A A . 4 CYS CA 1 1 9 3357 1 1 4 CYS CB C 0.929 3.819 3.199 1.00 . A A . 4 CYS CB 1 1 9 3358 1 1 4 CYS H H -0.686 4.430 5.390 1.00 . A A . 4 CYS H 1 1 9 3359 1 1 4 CYS HA H 2.224 4.214 4.876 1.00 . A A . 4 CYS HA 1 1 9 3360 1 1 4 CYS HB3 H 1.227 2.781 3.302 1.00 . A A . 4 CYS HB3 1 1 9 3361 1 1 4 CYS N N 0.249 4.076 5.525 1.00 . A A . 4 CYS N 1 1 9 3362 1 1 4 CYS O O 0.119 6.621 4.594 1.00 . A A . 4 CYS O 1 1 9 3363 1 1 4 CYS SG S -0.809 3.851 2.673 1.00 . A A . 4 CYS SG 1 1 9 3364 1 1 5 GLN C C 1.918 7.977 1.965 1.00 . A A . 5 GLN C 1 1 9 3365 1 1 5 GLN CA C 2.395 7.926 3.420 1.00 . A A . 5 GLN CA 1 1 9 3366 1 1 5 GLN CB C 3.853 8.385 3.535 1.00 . A A . 5 GLN CB 1 1 9 3367 1 1 5 GLN CD C 5.328 10.436 3.348 1.00 . A A . 5 GLN CD 1 1 9 3368 1 1 5 GLN CG C 3.912 9.915 3.569 1.00 . A A . 5 GLN CG 1 1 9 3369 1 1 5 GLN H H 3.145 6.010 3.993 1.00 . A A . 5 GLN H 1 1 9 3370 1 1 5 GLN HA H 1.783 8.609 4.005 1.00 . A A . 5 GLN HA 1 1 9 3371 1 1 5 GLN HB3 H 4.429 8.004 2.690 1.00 . A A . 5 GLN HB3 1 1 9 3372 1 1 5 GLN HE21 H 6.077 9.262 4.835 1.00 . A A . 5 GLN HE21 1 1 9 3373 1 1 5 GLN HE22 H 7.230 10.291 4.001 1.00 . A A . 5 GLN HE22 1 1 9 3374 1 1 5 GLN HG3 H 3.550 10.274 4.534 1.00 . A A . 5 GLN HG3 1 1 9 3375 1 1 5 GLN N N 2.289 6.572 3.939 1.00 . A A . 5 GLN N 1 1 9 3376 1 1 5 GLN NE2 N 6.287 9.957 4.134 1.00 . A A . 5 GLN NE2 1 1 9 3377 1 1 5 GLN O O 1.251 8.925 1.559 1.00 . A A . 5 GLN O 1 1 9 3378 1 1 5 GLN OE1 O 5.565 11.259 2.471 1.00 . A A . 5 GLN OE1 1 1 9 3379 1 1 6 SER C C 2.403 5.472 -0.706 1.00 . A A . 6 SER C 1 1 9 3380 1 1 6 SER CA C 2.087 6.907 -0.278 1.00 . A A . 6 SER CA 1 1 9 3381 1 1 6 SER CB C 2.994 7.909 -1.008 1.00 . A A . 6 SER CB 1 1 9 3382 1 1 6 SER H H 2.787 6.194 1.577 1.00 . A A . 6 SER H 1 1 9 3383 1 1 6 SER HA H 1.042 7.123 -0.505 1.00 . A A . 6 SER HA 1 1 9 3384 1 1 6 SER HB3 H 3.016 7.691 -2.076 1.00 . A A . 6 SER HB3 1 1 9 3385 1 1 6 SER HG H 2.088 9.328 -0.004 1.00 . A A . 6 SER HG 1 1 9 3386 1 1 6 SER N N 2.312 6.986 1.162 1.00 . A A . 6 SER N 1 1 9 3387 1 1 6 SER O O 2.860 4.681 0.115 1.00 . A A . 6 SER O 1 1 9 3388 1 1 6 SER OG O 2.515 9.229 -0.865 1.00 . A A . 6 SER OG 1 1 9 3389 1 1 7 VAL C C 3.822 3.256 -2.165 1.00 . A A . 7 VAL C 1 1 9 3390 1 1 7 VAL CA C 2.396 3.756 -2.451 1.00 . A A . 7 VAL CA 1 1 9 3391 1 1 7 VAL CB C 1.990 3.705 -3.933 1.00 . A A . 7 VAL CB 1 1 9 3392 1 1 7 VAL CG1 C 2.983 4.397 -4.872 1.00 . A A . 7 VAL CG1 1 1 9 3393 1 1 7 VAL CG2 C 1.797 2.256 -4.353 1.00 . A A . 7 VAL CG2 1 1 9 3394 1 1 7 VAL H H 1.740 5.732 -2.630 1.00 . A A . 7 VAL H 1 1 9 3395 1 1 7 VAL HA H 1.711 3.114 -1.895 1.00 . A A . 7 VAL HA 1 1 9 3396 1 1 7 VAL HB H 1.022 4.199 -4.038 1.00 . A A . 7 VAL HB 1 1 9 3397 1 1 7 VAL HG11 H 3.197 5.408 -4.526 1.00 . A A . 7 VAL HG11 1 1 9 3398 1 1 7 VAL HG12 H 3.906 3.822 -4.927 1.00 . A A . 7 VAL HG12 1 1 9 3399 1 1 7 VAL HG13 H 2.553 4.453 -5.872 1.00 . A A . 7 VAL HG13 1 1 9 3400 1 1 7 VAL HG21 H 1.060 1.802 -3.693 1.00 . A A . 7 VAL HG21 1 1 9 3401 1 1 7 VAL HG22 H 1.437 2.225 -5.379 1.00 . A A . 7 VAL HG22 1 1 9 3402 1 1 7 VAL HG23 H 2.743 1.723 -4.273 1.00 . A A . 7 VAL HG23 1 1 9 3403 1 1 7 VAL N N 2.180 5.110 -1.972 1.00 . A A . 7 VAL N 1 1 9 3404 1 1 7 VAL O O 4.014 2.091 -1.828 1.00 . A A . 7 VAL O 1 1 9 3405 1 1 8 ARG C C 6.291 3.279 -0.452 1.00 . A A . 8 ARG C 1 1 9 3406 1 1 8 ARG CA C 6.196 3.873 -1.862 1.00 . A A . 8 ARG CA 1 1 9 3407 1 1 8 ARG CB C 7.062 5.140 -1.965 1.00 . A A . 8 ARG CB 1 1 9 3408 1 1 8 ARG CD C 6.508 5.729 -4.399 1.00 . A A . 8 ARG CD 1 1 9 3409 1 1 8 ARG CG C 7.603 5.410 -3.377 1.00 . A A . 8 ARG CG 1 1 9 3410 1 1 8 ARG CZ C 7.356 5.511 -6.764 1.00 . A A . 8 ARG CZ 1 1 9 3411 1 1 8 ARG H H 4.573 5.083 -2.541 1.00 . A A . 8 ARG H 1 1 9 3412 1 1 8 ARG HA H 6.603 3.126 -2.540 1.00 . A A . 8 ARG HA 1 1 9 3413 1 1 8 ARG HB3 H 7.936 5.000 -1.326 1.00 . A A . 8 ARG HB3 1 1 9 3414 1 1 8 ARG HD3 H 5.869 6.515 -3.992 1.00 . A A . 8 ARG HD3 1 1 9 3415 1 1 8 ARG HE H 7.246 7.228 -5.688 1.00 . A A . 8 ARG HE 1 1 9 3416 1 1 8 ARG HG3 H 8.181 4.549 -3.713 1.00 . A A . 8 ARG HG3 1 1 9 3417 1 1 8 ARG HH11 H 6.922 3.677 -5.938 1.00 . A A . 8 ARG HH11 1 1 9 3418 1 1 8 ARG HH12 H 7.357 3.639 -7.612 1.00 . A A . 8 ARG HH12 1 1 9 3419 1 1 8 ARG HH21 H 7.928 7.136 -7.870 1.00 . A A . 8 ARG HH21 1 1 9 3420 1 1 8 ARG HH22 H 8.019 5.619 -8.702 1.00 . A A . 8 ARG HH22 1 1 9 3421 1 1 8 ARG N N 4.813 4.151 -2.248 1.00 . A A . 8 ARG N 1 1 9 3422 1 1 8 ARG NE N 7.078 6.232 -5.661 1.00 . A A . 8 ARG NE 1 1 9 3423 1 1 8 ARG NH1 N 7.195 4.185 -6.781 1.00 . A A . 8 ARG NH1 1 1 9 3424 1 1 8 ARG NH2 N 7.799 6.134 -7.862 1.00 . A A . 8 ARG NH2 1 1 9 3425 1 1 8 ARG O O 7.142 2.430 -0.204 1.00 . A A . 8 ARG O 1 1 9 3426 1 1 9 ASP C C 4.959 1.631 1.627 1.00 . A A . 9 ASP C 1 1 9 3427 1 1 9 ASP CA C 5.367 3.089 1.789 1.00 . A A . 9 ASP CA 1 1 9 3428 1 1 9 ASP CB C 4.355 3.819 2.684 1.00 . A A . 9 ASP CB 1 1 9 3429 1 1 9 ASP CG C 4.897 4.095 4.070 1.00 . A A . 9 ASP CG 1 1 9 3430 1 1 9 ASP H H 4.680 4.338 0.217 1.00 . A A . 9 ASP H 1 1 9 3431 1 1 9 ASP HA H 6.366 3.147 2.225 1.00 . A A . 9 ASP HA 1 1 9 3432 1 1 9 ASP HB3 H 3.476 3.195 2.820 1.00 . A A . 9 ASP HB3 1 1 9 3433 1 1 9 ASP N N 5.421 3.699 0.471 1.00 . A A . 9 ASP N 1 1 9 3434 1 1 9 ASP O O 5.648 0.709 2.067 1.00 . A A . 9 ASP O 1 1 9 3435 1 1 9 ASP OD1 O 5.624 3.222 4.592 1.00 . A A . 9 ASP OD1 1 1 9 3436 1 1 9 ASP OD2 O 4.539 5.184 4.571 1.00 . A A . 9 ASP OD2 1 1 9 3437 1 1 10 CYS C C 4.551 -0.796 0.076 1.00 . A A . 10 CYS C 1 1 9 3438 1 1 10 CYS CA C 3.442 0.010 0.738 1.00 . A A . 10 CYS CA 1 1 9 3439 1 1 10 CYS CB C 2.120 -0.237 0.011 1.00 . A A . 10 CYS CB 1 1 9 3440 1 1 10 CYS H H 3.329 2.155 0.513 1.00 . A A . 10 CYS H 1 1 9 3441 1 1 10 CYS HA H 3.322 -0.403 1.730 1.00 . A A . 10 CYS HA 1 1 9 3442 1 1 10 CYS HB3 H 2.427 -0.540 -0.948 1.00 . A A . 10 CYS HB3 1 1 9 3443 1 1 10 CYS N N 3.836 1.392 0.937 1.00 . A A . 10 CYS N 1 1 9 3444 1 1 10 CYS O O 4.671 -1.977 0.361 1.00 . A A . 10 CYS O 1 1 9 3445 1 1 10 CYS SG S 1.155 -1.591 0.740 1.00 . A A . 10 CYS SG 1 1 9 3446 1 1 11 GLN C C 7.411 -1.540 -0.418 1.00 . A A . 11 GLN C 1 1 9 3447 1 1 11 GLN CA C 6.447 -0.921 -1.446 1.00 . A A . 11 GLN CA 1 1 9 3448 1 1 11 GLN CB C 7.198 -0.059 -2.468 1.00 . A A . 11 GLN CB 1 1 9 3449 1 1 11 GLN CD C 7.078 1.169 -4.679 1.00 . A A . 11 GLN CD 1 1 9 3450 1 1 11 GLN CG C 6.332 0.278 -3.689 1.00 . A A . 11 GLN CG 1 1 9 3451 1 1 11 GLN H H 5.177 0.773 -1.050 1.00 . A A . 11 GLN H 1 1 9 3452 1 1 11 GLN HA H 5.997 -1.744 -2.010 1.00 . A A . 11 GLN HA 1 1 9 3453 1 1 11 GLN HB3 H 8.064 -0.628 -2.810 1.00 . A A . 11 GLN HB3 1 1 9 3454 1 1 11 GLN HE21 H 8.502 -0.247 -4.967 1.00 . A A . 11 GLN HE21 1 1 9 3455 1 1 11 GLN HE22 H 8.725 1.238 -5.863 1.00 . A A . 11 GLN HE22 1 1 9 3456 1 1 11 GLN HG3 H 5.427 0.789 -3.376 1.00 . A A . 11 GLN HG3 1 1 9 3457 1 1 11 GLN N N 5.356 -0.195 -0.808 1.00 . A A . 11 GLN N 1 1 9 3458 1 1 11 GLN NE2 N 8.189 0.679 -5.221 1.00 . A A . 11 GLN NE2 1 1 9 3459 1 1 11 GLN O O 7.973 -2.595 -0.700 1.00 . A A . 11 GLN O 1 1 9 3460 1 1 11 GLN OE1 O 6.669 2.295 -4.959 1.00 . A A . 11 GLN OE1 1 1 9 3461 1 1 12 GLN C C 7.544 -2.614 2.557 1.00 . A A . 12 GLN C 1 1 9 3462 1 1 12 GLN CA C 8.384 -1.568 1.808 1.00 . A A . 12 GLN CA 1 1 9 3463 1 1 12 GLN CB C 9.058 -0.525 2.703 1.00 . A A . 12 GLN CB 1 1 9 3464 1 1 12 GLN CD C 8.804 1.308 4.467 1.00 . A A . 12 GLN CD 1 1 9 3465 1 1 12 GLN CG C 8.154 0.539 3.318 1.00 . A A . 12 GLN CG 1 1 9 3466 1 1 12 GLN H H 7.163 -0.076 1.045 1.00 . A A . 12 GLN H 1 1 9 3467 1 1 12 GLN HA H 9.214 -2.107 1.370 1.00 . A A . 12 GLN HA 1 1 9 3468 1 1 12 GLN HB3 H 9.872 -0.038 2.163 1.00 . A A . 12 GLN HB3 1 1 9 3469 1 1 12 GLN HE21 H 7.114 2.471 4.802 1.00 . A A . 12 GLN HE21 1 1 9 3470 1 1 12 GLN HE22 H 8.496 2.750 5.840 1.00 . A A . 12 GLN HE22 1 1 9 3471 1 1 12 GLN HG3 H 7.281 0.018 3.696 1.00 . A A . 12 GLN HG3 1 1 9 3472 1 1 12 GLN N N 7.617 -0.932 0.762 1.00 . A A . 12 GLN N 1 1 9 3473 1 1 12 GLN NE2 N 8.080 2.241 5.079 1.00 . A A . 12 GLN NE2 1 1 9 3474 1 1 12 GLN O O 8.076 -3.649 2.952 1.00 . A A . 12 GLN O 1 1 9 3475 1 1 12 GLN OE1 O 9.958 1.073 4.810 1.00 . A A . 12 GLN OE1 1 1 9 3476 1 1 13 TYR C C 5.129 -4.640 2.531 1.00 . A A . 13 TYR C 1 1 9 3477 1 1 13 TYR CA C 5.370 -3.376 3.382 1.00 . A A . 13 TYR CA 1 1 9 3478 1 1 13 TYR CB C 4.016 -2.757 3.757 1.00 . A A . 13 TYR CB 1 1 9 3479 1 1 13 TYR CD1 C 3.879 -2.281 6.240 1.00 . A A . 13 TYR CD1 1 1 9 3480 1 1 13 TYR CD2 C 3.926 -0.401 4.705 1.00 . A A . 13 TYR CD2 1 1 9 3481 1 1 13 TYR CE1 C 3.592 -1.402 7.300 1.00 . A A . 13 TYR CE1 1 1 9 3482 1 1 13 TYR CE2 C 3.635 0.476 5.762 1.00 . A A . 13 TYR CE2 1 1 9 3483 1 1 13 TYR CG C 4.012 -1.787 4.928 1.00 . A A . 13 TYR CG 1 1 9 3484 1 1 13 TYR CZ C 3.435 -0.028 7.054 1.00 . A A . 13 TYR CZ 1 1 9 3485 1 1 13 TYR H H 5.841 -1.513 2.392 1.00 . A A . 13 TYR H 1 1 9 3486 1 1 13 TYR HA H 5.846 -3.702 4.310 1.00 . A A . 13 TYR HA 1 1 9 3487 1 1 13 TYR HB3 H 3.338 -3.571 4.023 1.00 . A A . 13 TYR HB3 1 1 9 3488 1 1 13 TYR HD1 H 3.926 -3.344 6.426 1.00 . A A . 13 TYR HD1 1 1 9 3489 1 1 13 TYR HD2 H 4.011 0.001 3.717 1.00 . A A . 13 TYR HD2 1 1 9 3490 1 1 13 TYR HE1 H 3.432 -1.790 8.296 1.00 . A A . 13 TYR HE1 1 1 9 3491 1 1 13 TYR HE2 H 3.561 1.538 5.567 1.00 . A A . 13 TYR HE2 1 1 9 3492 1 1 13 TYR HH H 2.687 1.641 7.699 1.00 . A A . 13 TYR HH 1 1 9 3493 1 1 13 TYR N N 6.238 -2.384 2.737 1.00 . A A . 13 TYR N 1 1 9 3494 1 1 13 TYR O O 4.868 -5.703 3.088 1.00 . A A . 13 TYR O 1 1 9 3495 1 1 13 TYR OH O 3.004 0.796 8.049 1.00 . A A . 13 TYR OH 1 1 9 3496 1 1 14 CYS C C 5.366 -5.526 -1.016 1.00 . A A . 14 CYS C 1 1 9 3497 1 1 14 CYS CA C 4.554 -5.503 0.271 1.00 . A A . 14 CYS CA 1 1 9 3498 1 1 14 CYS CB C 3.108 -5.109 -0.078 1.00 . A A . 14 CYS CB 1 1 9 3499 1 1 14 CYS H H 5.423 -3.651 0.794 1.00 . A A . 14 CYS H 1 1 9 3500 1 1 14 CYS HA H 4.555 -6.499 0.715 1.00 . A A . 14 CYS HA 1 1 9 3501 1 1 14 CYS HB3 H 2.792 -5.568 -1.020 1.00 . A A . 14 CYS HB3 1 1 9 3502 1 1 14 CYS N N 5.131 -4.530 1.198 1.00 . A A . 14 CYS N 1 1 9 3503 1 1 14 CYS O O 5.712 -4.478 -1.553 1.00 . A A . 14 CYS O 1 1 9 3504 1 1 14 CYS SG S 1.871 -5.584 1.153 1.00 . A A . 14 CYS SG 1 1 9 3505 1 1 15 LEU C C 5.519 -6.402 -4.009 1.00 . A A . 15 LEU C 1 1 9 3506 1 1 15 LEU CA C 6.334 -6.892 -2.806 1.00 . A A . 15 LEU CA 1 1 9 3507 1 1 15 LEU CB C 6.769 -8.346 -2.989 1.00 . A A . 15 LEU CB 1 1 9 3508 1 1 15 LEU CD1 C 7.527 -9.150 -0.685 1.00 . A A . 15 LEU CD1 1 1 9 3509 1 1 15 LEU CD2 C 8.799 -9.768 -2.763 1.00 . A A . 15 LEU CD2 1 1 9 3510 1 1 15 LEU CG C 7.963 -8.690 -2.079 1.00 . A A . 15 LEU CG 1 1 9 3511 1 1 15 LEU H H 5.306 -7.551 -1.065 1.00 . A A . 15 LEU H 1 1 9 3512 1 1 15 LEU HA H 7.260 -6.318 -2.773 1.00 . A A . 15 LEU HA 1 1 9 3513 1 1 15 LEU HB3 H 7.090 -8.453 -4.027 1.00 . A A . 15 LEU HB3 1 1 9 3514 1 1 15 LEU HD11 H 7.067 -8.321 -0.150 1.00 . A A . 15 LEU HD11 1 1 9 3515 1 1 15 LEU HD12 H 6.820 -9.976 -0.762 1.00 . A A . 15 LEU HD12 1 1 9 3516 1 1 15 LEU HD13 H 8.399 -9.477 -0.119 1.00 . A A . 15 LEU HD13 1 1 9 3517 1 1 15 LEU HD21 H 9.164 -9.359 -3.705 1.00 . A A . 15 LEU HD21 1 1 9 3518 1 1 15 LEU HD22 H 9.651 -10.031 -2.137 1.00 . A A . 15 LEU HD22 1 1 9 3519 1 1 15 LEU HD23 H 8.190 -10.651 -2.954 1.00 . A A . 15 LEU HD23 1 1 9 3520 1 1 15 LEU HG H 8.617 -7.824 -1.963 1.00 . A A . 15 LEU HG 1 1 9 3521 1 1 15 LEU N N 5.611 -6.724 -1.554 1.00 . A A . 15 LEU N 1 1 9 3522 1 1 15 LEU O O 6.090 -6.092 -5.054 1.00 . A A . 15 LEU O 1 1 9 3523 1 1 16 THR C C 2.072 -5.194 -4.463 1.00 . A A . 16 THR C 1 1 9 3524 1 1 16 THR CA C 3.339 -5.872 -4.997 1.00 . A A . 16 THR CA 1 1 9 3525 1 1 16 THR CB C 3.028 -7.010 -5.983 1.00 . A A . 16 THR CB 1 1 9 3526 1 1 16 THR CG2 C 2.429 -6.450 -7.275 1.00 . A A . 16 THR CG2 1 1 9 3527 1 1 16 THR H H 3.748 -6.666 -3.054 1.00 . A A . 16 THR H 1 1 9 3528 1 1 16 THR HA H 3.883 -5.108 -5.555 1.00 . A A . 16 THR HA 1 1 9 3529 1 1 16 THR HB H 2.322 -7.713 -5.533 1.00 . A A . 16 THR HB 1 1 9 3530 1 1 16 THR HG1 H 4.962 -7.102 -6.234 1.00 . A A . 16 THR HG1 1 1 9 3531 1 1 16 THR HG21 H 2.231 -7.271 -7.966 1.00 . A A . 16 THR HG21 1 1 9 3532 1 1 16 THR HG22 H 1.494 -5.929 -7.066 1.00 . A A . 16 THR HG22 1 1 9 3533 1 1 16 THR HG23 H 3.130 -5.755 -7.737 1.00 . A A . 16 THR HG23 1 1 9 3534 1 1 16 THR N N 4.185 -6.360 -3.908 1.00 . A A . 16 THR N 1 1 9 3535 1 1 16 THR O O 0.980 -5.771 -4.501 1.00 . A A . 16 THR O 1 1 9 3536 1 1 16 THR OG1 O 4.213 -7.709 -6.312 1.00 . A A . 16 THR OG1 1 1 9 3537 1 1 17 PRO C C 0.097 -2.877 -4.602 1.00 . A A . 17 PRO C 1 1 9 3538 1 1 17 PRO CA C 1.078 -3.211 -3.480 1.00 . A A . 17 PRO CA 1 1 9 3539 1 1 17 PRO CB C 1.639 -1.992 -2.753 1.00 . A A . 17 PRO CB 1 1 9 3540 1 1 17 PRO CD C 3.386 -3.418 -3.337 1.00 . A A . 17 PRO CD 1 1 9 3541 1 1 17 PRO CG C 3.138 -1.982 -2.988 1.00 . A A . 17 PRO CG 1 1 9 3542 1 1 17 PRO HA H 0.636 -3.840 -2.716 1.00 . A A . 17 PRO HA 1 1 9 3543 1 1 17 PRO HB3 H 1.379 -2.091 -1.712 1.00 . A A . 17 PRO HB3 1 1 9 3544 1 1 17 PRO HD3 H 3.370 -3.818 -2.353 1.00 . A A . 17 PRO HD3 1 1 9 3545 1 1 17 PRO HG3 H 3.707 -1.740 -2.105 1.00 . A A . 17 PRO HG3 1 1 9 3546 1 1 17 PRO N N 2.202 -3.963 -3.951 1.00 . A A . 17 PRO N 1 1 9 3547 1 1 17 PRO O O 0.468 -2.787 -5.770 1.00 . A A . 17 PRO O 1 1 9 3548 1 1 18 ASP C C -2.119 -0.665 -4.993 1.00 . A A . 18 ASP C 1 1 9 3549 1 1 18 ASP CA C -2.228 -2.184 -5.042 1.00 . A A . 18 ASP CA 1 1 9 3550 1 1 18 ASP CB C -3.574 -2.688 -4.490 1.00 . A A . 18 ASP CB 1 1 9 3551 1 1 18 ASP CG C -4.770 -2.382 -5.381 1.00 . A A . 18 ASP CG 1 1 9 3552 1 1 18 ASP H H -1.344 -2.732 -3.223 1.00 . A A . 18 ASP H 1 1 9 3553 1 1 18 ASP HA H -2.085 -2.518 -6.066 1.00 . A A . 18 ASP HA 1 1 9 3554 1 1 18 ASP HB3 H -3.745 -2.212 -3.536 1.00 . A A . 18 ASP HB3 1 1 9 3555 1 1 18 ASP N N -1.163 -2.703 -4.215 1.00 . A A . 18 ASP N 1 1 9 3556 1 1 18 ASP O O -1.896 -0.015 -6.011 1.00 . A A . 18 ASP O 1 1 9 3557 1 1 18 ASP OD1 O -4.599 -2.415 -6.617 1.00 . A A . 18 ASP OD1 1 1 9 3558 1 1 18 ASP OD2 O -5.854 -2.117 -4.806 1.00 . A A . 18 ASP OD2 1 1 9 3559 1 1 19 ARG C C -2.014 1.654 -2.129 1.00 . A A . 19 ARG C 1 1 9 3560 1 1 19 ARG CA C -2.250 1.344 -3.600 1.00 . A A . 19 ARG CA 1 1 9 3561 1 1 19 ARG CB C -3.598 1.967 -4.010 1.00 . A A . 19 ARG CB 1 1 9 3562 1 1 19 ARG CD C -6.105 1.477 -4.560 1.00 . A A . 19 ARG CD 1 1 9 3563 1 1 19 ARG CG C -4.768 0.995 -3.986 1.00 . A A . 19 ARG CG 1 1 9 3564 1 1 19 ARG CZ C -7.938 -0.082 -3.814 1.00 . A A . 19 ARG CZ 1 1 9 3565 1 1 19 ARG H H -2.512 -0.649 -2.975 1.00 . A A . 19 ARG H 1 1 9 3566 1 1 19 ARG HA H -1.447 1.788 -4.190 1.00 . A A . 19 ARG HA 1 1 9 3567 1 1 19 ARG HB3 H -3.520 2.456 -4.981 1.00 . A A . 19 ARG HB3 1 1 9 3568 1 1 19 ARG HD3 H -5.938 1.838 -5.576 1.00 . A A . 19 ARG HD3 1 1 9 3569 1 1 19 ARG HE H -6.425 -0.510 -4.982 1.00 . A A . 19 ARG HE 1 1 9 3570 1 1 19 ARG HG3 H -4.859 0.601 -2.981 1.00 . A A . 19 ARG HG3 1 1 9 3571 1 1 19 ARG HH11 H -8.674 1.784 -3.522 1.00 . A A . 19 ARG HH11 1 1 9 3572 1 1 19 ARG HH12 H -9.397 0.553 -2.506 1.00 . A A . 19 ARG HH12 1 1 9 3573 1 1 19 ARG HH21 H -7.333 -1.983 -3.992 1.00 . A A . 19 ARG HH21 1 1 9 3574 1 1 19 ARG HH22 H -8.759 -1.781 -2.961 1.00 . A A . 19 ARG HH22 1 1 9 3575 1 1 19 ARG N N -2.263 -0.093 -3.790 1.00 . A A . 19 ARG N 1 1 9 3576 1 1 19 ARG NE N -6.952 0.288 -4.636 1.00 . A A . 19 ARG NE 1 1 9 3577 1 1 19 ARG NH1 N -8.743 0.819 -3.242 1.00 . A A . 19 ARG NH1 1 1 9 3578 1 1 19 ARG NH2 N -8.067 -1.388 -3.578 1.00 . A A . 19 ARG NH2 1 1 9 3579 1 1 19 ARG O O -2.465 0.915 -1.262 1.00 . A A . 19 ARG O 1 1 9 3580 1 1 20 CYS C C -3.075 4.276 -0.948 1.00 . A A . 20 CYS C 1 1 9 3581 1 1 20 CYS CA C -1.770 3.547 -0.647 1.00 . A A . 20 CYS CA 1 1 9 3582 1 1 20 CYS CB C -0.654 4.518 -0.273 1.00 . A A . 20 CYS CB 1 1 9 3583 1 1 20 CYS H H -1.162 3.384 -2.654 1.00 . A A . 20 CYS H 1 1 9 3584 1 1 20 CYS HA H -1.910 2.862 0.185 1.00 . A A . 20 CYS HA 1 1 9 3585 1 1 20 CYS HB3 H -0.530 5.251 -1.068 1.00 . A A . 20 CYS HB3 1 1 9 3586 1 1 20 CYS N N -1.437 2.824 -1.863 1.00 . A A . 20 CYS N 1 1 9 3587 1 1 20 CYS O O -3.102 5.139 -1.824 1.00 . A A . 20 CYS O 1 1 9 3588 1 1 20 CYS SG S -0.948 5.390 1.282 1.00 . A A . 20 CYS SG 1 1 9 3589 1 1 21 SER C C -6.417 4.162 0.531 1.00 . A A . 21 SER C 1 1 9 3590 1 1 21 SER CA C -5.501 4.370 -0.668 1.00 . A A . 21 SER CA 1 1 9 3591 1 1 21 SER CB C -6.023 3.682 -1.938 1.00 . A A . 21 SER CB 1 1 9 3592 1 1 21 SER H H -4.158 3.092 0.322 1.00 . A A . 21 SER H 1 1 9 3593 1 1 21 SER HA H -5.438 5.447 -0.839 1.00 . A A . 21 SER HA 1 1 9 3594 1 1 21 SER HB3 H -7.107 3.730 -1.922 1.00 . A A . 21 SER HB3 1 1 9 3595 1 1 21 SER HG H -4.665 4.758 -2.844 1.00 . A A . 21 SER HG 1 1 9 3596 1 1 21 SER N N -4.187 3.854 -0.349 1.00 . A A . 21 SER N 1 1 9 3597 1 1 21 SER O O -6.300 3.153 1.216 1.00 . A A . 21 SER O 1 1 9 3598 1 1 21 SER OG O -5.553 4.425 -3.046 1.00 . A A . 21 SER OG 1 1 9 3599 1 1 22 TYR C C -7.345 4.857 3.269 1.00 . A A . 22 TYR C 1 1 9 3600 1 1 22 TYR CA C -8.167 5.092 1.990 1.00 . A A . 22 TYR CA 1 1 9 3601 1 1 22 TYR CB C -9.295 4.082 1.778 1.00 . A A . 22 TYR CB 1 1 9 3602 1 1 22 TYR CD1 C -11.462 5.279 2.290 1.00 . A A . 22 TYR CD1 1 1 9 3603 1 1 22 TYR CD2 C -10.740 3.497 3.786 1.00 . A A . 22 TYR CD2 1 1 9 3604 1 1 22 TYR CE1 C -12.613 5.470 3.073 1.00 . A A . 22 TYR CE1 1 1 9 3605 1 1 22 TYR CE2 C -11.889 3.694 4.573 1.00 . A A . 22 TYR CE2 1 1 9 3606 1 1 22 TYR CG C -10.520 4.295 2.646 1.00 . A A . 22 TYR CG 1 1 9 3607 1 1 22 TYR CZ C -12.824 4.681 4.216 1.00 . A A . 22 TYR CZ 1 1 9 3608 1 1 22 TYR H H -7.353 5.931 0.211 1.00 . A A . 22 TYR H 1 1 9 3609 1 1 22 TYR HA H -8.657 6.049 2.075 1.00 . A A . 22 TYR HA 1 1 9 3610 1 1 22 TYR HB3 H -8.872 3.108 1.966 1.00 . A A . 22 TYR HB3 1 1 9 3611 1 1 22 TYR HD1 H -11.308 5.886 1.409 1.00 . A A . 22 TYR HD1 1 1 9 3612 1 1 22 TYR HD2 H -10.027 2.735 4.066 1.00 . A A . 22 TYR HD2 1 1 9 3613 1 1 22 TYR HE1 H -13.337 6.221 2.798 1.00 . A A . 22 TYR HE1 1 1 9 3614 1 1 22 TYR HE2 H -12.042 3.082 5.449 1.00 . A A . 22 TYR HE2 1 1 9 3615 1 1 22 TYR HH H -13.993 4.288 5.728 1.00 . A A . 22 TYR HH 1 1 9 3616 1 1 22 TYR N N -7.300 5.123 0.815 1.00 . A A . 22 TYR N 1 1 9 3617 1 1 22 TYR O O -7.689 4.031 4.112 1.00 . A A . 22 TYR O 1 1 9 3618 1 1 22 TYR OH O -13.943 4.873 4.969 1.00 . A A . 22 TYR OH 1 1 9 3619 1 1 23 GLY C C -4.697 4.019 4.697 1.00 . A A . 23 GLY C 1 1 9 3620 1 1 23 GLY CA C -5.266 5.430 4.488 1.00 . A A . 23 GLY CA 1 1 9 3621 1 1 23 GLY H H -5.974 6.199 2.638 1.00 . A A . 23 GLY H 1 1 9 3622 1 1 23 GLY HA2 H -4.438 6.113 4.301 1.00 . A A . 23 GLY HA2 1 1 9 3623 1 1 23 GLY HA3 H -5.777 5.747 5.398 1.00 . A A . 23 GLY HA3 1 1 9 3624 1 1 23 GLY N N -6.203 5.546 3.373 1.00 . A A . 23 GLY N 1 1 9 3625 1 1 23 GLY O O -4.027 3.763 5.701 1.00 . A A . 23 GLY O 1 1 9 3626 1 1 24 THR C C -3.623 1.398 2.728 1.00 . A A . 24 THR C 1 1 9 3627 1 1 24 THR CA C -4.642 1.699 3.822 1.00 . A A . 24 THR CA 1 1 9 3628 1 1 24 THR CB C -5.944 0.909 3.612 1.00 . A A . 24 THR CB 1 1 9 3629 1 1 24 THR CG2 C -5.752 -0.595 3.820 1.00 . A A . 24 THR CG2 1 1 9 3630 1 1 24 THR H H -5.434 3.402 2.916 1.00 . A A . 24 THR H 1 1 9 3631 1 1 24 THR HA H -4.238 1.461 4.801 1.00 . A A . 24 THR HA 1 1 9 3632 1 1 24 THR HB H -6.311 1.066 2.598 1.00 . A A . 24 THR HB 1 1 9 3633 1 1 24 THR HG1 H -7.112 2.295 4.365 1.00 . A A . 24 THR HG1 1 1 9 3634 1 1 24 THR HG21 H -5.009 -0.989 3.124 1.00 . A A . 24 THR HG21 1 1 9 3635 1 1 24 THR HG22 H -5.431 -0.792 4.842 1.00 . A A . 24 THR HG22 1 1 9 3636 1 1 24 THR HG23 H -6.700 -1.105 3.645 1.00 . A A . 24 THR HG23 1 1 9 3637 1 1 24 THR N N -4.947 3.113 3.750 1.00 . A A . 24 THR N 1 1 9 3638 1 1 24 THR O O -3.811 1.823 1.589 1.00 . A A . 24 THR O 1 1 9 3639 1 1 24 THR OG1 O -6.930 1.358 4.524 1.00 . A A . 24 THR OG1 1 1 9 3640 1 1 25 CYS C C -2.135 -1.126 1.517 1.00 . A A . 25 CYS C 1 1 9 3641 1 1 25 CYS CA C -1.610 0.220 2.030 1.00 . A A . 25 CYS CA 1 1 9 3642 1 1 25 CYS CB C -0.147 0.348 2.493 1.00 . A A . 25 CYS CB 1 1 9 3643 1 1 25 CYS H H -2.472 0.284 3.983 1.00 . A A . 25 CYS H 1 1 9 3644 1 1 25 CYS HA H -1.647 0.901 1.184 1.00 . A A . 25 CYS HA 1 1 9 3645 1 1 25 CYS HB3 H -0.106 0.926 3.414 1.00 . A A . 25 CYS HB3 1 1 9 3646 1 1 25 CYS N N -2.542 0.683 3.050 1.00 . A A . 25 CYS N 1 1 9 3647 1 1 25 CYS O O -1.837 -2.203 2.026 1.00 . A A . 25 CYS O 1 1 9 3648 1 1 25 CYS SG S 0.875 -1.098 2.726 1.00 . A A . 25 CYS SG 1 1 9 3649 1 1 26 TYR C C -2.592 -2.921 -0.898 1.00 . A A . 26 TYR C 1 1 9 3650 1 1 26 TYR CA C -3.665 -2.157 -0.129 1.00 . A A . 26 TYR CA 1 1 9 3651 1 1 26 TYR CB C -4.696 -1.619 -1.128 1.00 . A A . 26 TYR CB 1 1 9 3652 1 1 26 TYR CD1 C -7.086 -2.054 -0.475 1.00 . A A . 26 TYR CD1 1 1 9 3653 1 1 26 TYR CD2 C -6.240 0.220 -0.336 1.00 . A A . 26 TYR CD2 1 1 9 3654 1 1 26 TYR CE1 C -8.403 -1.572 -0.400 1.00 . A A . 26 TYR CE1 1 1 9 3655 1 1 26 TYR CE2 C -7.559 0.697 -0.241 1.00 . A A . 26 TYR CE2 1 1 9 3656 1 1 26 TYR CG C -6.008 -1.152 -0.538 1.00 . A A . 26 TYR CG 1 1 9 3657 1 1 26 TYR CZ C -8.639 -0.192 -0.320 1.00 . A A . 26 TYR CZ 1 1 9 3658 1 1 26 TYR H H -3.167 -0.117 0.120 1.00 . A A . 26 TYR H 1 1 9 3659 1 1 26 TYR HA H -4.148 -2.809 0.601 1.00 . A A . 26 TYR HA 1 1 9 3660 1 1 26 TYR HB3 H -4.959 -2.426 -1.810 1.00 . A A . 26 TYR HB3 1 1 9 3661 1 1 26 TYR HD1 H -6.917 -3.111 -0.626 1.00 . A A . 26 TYR HD1 1 1 9 3662 1 1 26 TYR HD2 H -5.414 0.916 -0.371 1.00 . A A . 26 TYR HD2 1 1 9 3663 1 1 26 TYR HE1 H -9.233 -2.260 -0.472 1.00 . A A . 26 TYR HE1 1 1 9 3664 1 1 26 TYR HE2 H -7.747 1.757 -0.237 1.00 . A A . 26 TYR HE2 1 1 9 3665 1 1 26 TYR HH H -10.107 1.074 -0.236 1.00 . A A . 26 TYR HH 1 1 9 3666 1 1 26 TYR N N -3.042 -1.032 0.543 1.00 . A A . 26 TYR N 1 1 9 3667 1 1 26 TYR O O -1.790 -2.278 -1.575 1.00 . A A . 26 TYR O 1 1 9 3668 1 1 26 TYR OH O -9.847 0.291 -0.735 1.00 . A A . 26 TYR OH 1 1 9 3669 1 1 27 CYS C C -2.477 -6.196 -2.329 1.00 . A A . 27 CYS C 1 1 9 3670 1 1 27 CYS CA C -1.698 -5.125 -1.588 1.00 . A A . 27 CYS CA 1 1 9 3671 1 1 27 CYS CB C -0.636 -5.761 -0.681 1.00 . A A . 27 CYS CB 1 1 9 3672 1 1 27 CYS H H -3.287 -4.739 -0.275 1.00 . A A . 27 CYS H 1 1 9 3673 1 1 27 CYS HA H -1.219 -4.536 -2.351 1.00 . A A . 27 CYS HA 1 1 9 3674 1 1 27 CYS HB3 H 0.145 -6.163 -1.319 1.00 . A A . 27 CYS HB3 1 1 9 3675 1 1 27 CYS N N -2.603 -4.262 -0.840 1.00 . A A . 27 CYS N 1 1 9 3676 1 1 27 CYS O O -3.485 -6.682 -1.817 1.00 . A A . 27 CYS O 1 1 9 3677 1 1 27 CYS SG S 0.149 -4.634 0.484 1.00 . A A . 27 CYS SG 1 1 9 3678 1 1 28 LYS C C -2.455 -8.999 -3.861 1.00 . A A . 28 LYS C 1 1 9 3679 1 1 28 LYS CA C -2.716 -7.567 -4.344 1.00 . A A . 28 LYS CA 1 1 9 3680 1 1 28 LYS CB C -2.344 -7.362 -5.821 1.00 . A A . 28 LYS CB 1 1 9 3681 1 1 28 LYS CD C -2.626 -5.833 -7.823 1.00 . A A . 28 LYS CD 1 1 9 3682 1 1 28 LYS CE C -3.246 -4.496 -8.253 1.00 . A A . 28 LYS CE 1 1 9 3683 1 1 28 LYS CG C -2.769 -5.968 -6.300 1.00 . A A . 28 LYS CG 1 1 9 3684 1 1 28 LYS H H -1.127 -6.226 -3.863 1.00 . A A . 28 LYS H 1 1 9 3685 1 1 28 LYS HA H -3.790 -7.398 -4.255 1.00 . A A . 28 LYS HA 1 1 9 3686 1 1 28 LYS HB3 H -2.869 -8.112 -6.416 1.00 . A A . 28 LYS HB3 1 1 9 3687 1 1 28 LYS HD3 H -3.149 -6.661 -8.307 1.00 . A A . 28 LYS HD3 1 1 9 3688 1 1 28 LYS HE3 H -2.743 -3.686 -7.731 1.00 . A A . 28 LYS HE3 1 1 9 3689 1 1 28 LYS HG3 H -2.158 -5.207 -5.811 1.00 . A A . 28 LYS HG3 1 1 9 3690 1 1 28 LYS HZ1 H -3.552 -3.332 -9.888 1.00 . A A . 28 LYS HZ1 1 1 9 3691 1 1 28 LYS HZ2 H -2.154 -4.192 -9.966 1.00 . A A . 28 LYS HZ2 1 1 9 3692 1 1 28 LYS HZ3 H -3.604 -4.942 -10.230 1.00 . A A . 28 LYS HZ3 1 1 9 3693 1 1 28 LYS N N -2.008 -6.597 -3.516 1.00 . A A . 28 LYS N 1 1 9 3694 1 1 28 LYS NZ N -3.127 -4.230 -9.697 1.00 . A A . 28 LYS NZ 1 1 9 3695 1 1 28 LYS O O -2.179 -9.895 -4.655 1.00 . A A . 28 LYS O 1 1 9 3696 1 1 29 THR C C -3.768 -11.307 -2.089 1.00 . A A . 29 THR C 1 1 9 3697 1 1 29 THR CA C -2.435 -10.557 -1.956 1.00 . A A . 29 THR CA 1 1 9 3698 1 1 29 THR CB C -1.861 -10.413 -0.529 1.00 . A A . 29 THR CB 1 1 9 3699 1 1 29 THR CG2 C -2.732 -9.612 0.447 1.00 . A A . 29 THR CG2 1 1 9 3700 1 1 29 THR H H -2.936 -8.483 -1.974 1.00 . A A . 29 THR H 1 1 9 3701 1 1 29 THR HA H -1.695 -11.122 -2.526 1.00 . A A . 29 THR HA 1 1 9 3702 1 1 29 THR HB H -0.913 -9.879 -0.618 1.00 . A A . 29 THR HB 1 1 9 3703 1 1 29 THR HG1 H -0.942 -12.138 -0.527 1.00 . A A . 29 THR HG1 1 1 9 3704 1 1 29 THR HG21 H -3.680 -10.116 0.630 1.00 . A A . 29 THR HG21 1 1 9 3705 1 1 29 THR HG22 H -2.205 -9.524 1.397 1.00 . A A . 29 THR HG22 1 1 9 3706 1 1 29 THR HG23 H -2.926 -8.609 0.070 1.00 . A A . 29 THR HG23 1 1 9 3707 1 1 29 THR N N -2.588 -9.239 -2.555 1.00 . A A . 29 THR N 1 1 9 3708 1 1 29 THR O O -4.392 -11.707 -1.110 1.00 . A A . 29 THR O 1 1 9 3709 1 1 29 THR OG1 O -1.563 -11.673 0.038 1.00 . A A . 29 THR OG1 1 1 9 3710 1 1 30 THR C C -5.547 -12.254 -5.191 1.00 . A A . 30 THR C 1 1 9 3711 1 1 30 THR CA C -5.511 -12.061 -3.672 1.00 . A A . 30 THR CA 1 1 9 3712 1 1 30 THR CB C -6.679 -11.203 -3.137 1.00 . A A . 30 THR CB 1 1 9 3713 1 1 30 THR CG2 C -6.662 -9.771 -3.684 1.00 . A A . 30 THR CG2 1 1 9 3714 1 1 30 THR H H -3.654 -11.161 -4.116 1.00 . A A . 30 THR H 1 1 9 3715 1 1 30 THR HA H -5.568 -13.047 -3.208 1.00 . A A . 30 THR HA 1 1 9 3716 1 1 30 THR HB H -6.614 -11.151 -2.049 1.00 . A A . 30 THR HB 1 1 9 3717 1 1 30 THR HG1 H -8.614 -11.361 -2.948 1.00 . A A . 30 THR HG1 1 1 9 3718 1 1 30 THR HG21 H -7.497 -9.210 -3.265 1.00 . A A . 30 THR HG21 1 1 9 3719 1 1 30 THR HG22 H -5.736 -9.269 -3.404 1.00 . A A . 30 THR HG22 1 1 9 3720 1 1 30 THR HG23 H -6.753 -9.775 -4.770 1.00 . A A . 30 THR HG23 1 1 9 3721 1 1 30 THR N N -4.230 -11.462 -3.332 1.00 . A A . 30 THR N 1 1 9 3722 1 1 30 THR O O -4.545 -12.039 -5.870 1.00 . A A . 30 THR O 1 1 9 3723 1 1 30 THR OG1 O -7.922 -11.805 -3.448 1.00 . A A . 30 THR OG1 1 1 9 3724 1 1 31 NH2 HN1 H -7.500 -12.716 -5.114 1.00 . A A . 31 NH2 HN1 1 1 9 3725 1 1 31 NH2 HN2 H -6.773 -12.792 -6.725 1.00 . A A . 31 NH2 HN2 1 1 9 3726 1 1 31 NH2 N N -6.696 -12.649 -5.731 1.00 . A A . 31 NH2 N 1 1 10 3727 1 1 1 PCA C C -0.624 8.576 9.182 1.00 . A A . 1 PCA C 1 1 10 3728 1 1 1 PCA CA C 0.426 9.623 8.796 1.00 . A A . 1 PCA CA 1 1 10 3729 1 1 1 PCA CB C 0.141 10.995 9.429 1.00 . A A . 1 PCA CB 1 1 10 3730 1 1 1 PCA CD C -0.226 10.999 7.059 1.00 . A A . 1 PCA CD 1 1 10 3731 1 1 1 PCA CG C -0.665 11.695 8.334 1.00 . A A . 1 PCA CG 1 1 10 3732 1 1 1 PCA HA H 1.406 9.262 9.112 1.00 . A A . 1 PCA HA 1 1 10 3733 1 1 1 PCA HB2 H 1.087 11.522 9.562 1.00 . A A . 1 PCA HB2 1 1 10 3734 1 1 1 PCA HB3 H -0.393 10.951 10.378 1.00 . A A . 1 PCA HB3 1 1 10 3735 1 1 1 PCA HG2 H -1.732 11.528 8.483 1.00 . A A . 1 PCA HG2 1 1 10 3736 1 1 1 PCA HG3 H -0.449 12.765 8.306 1.00 . A A . 1 PCA HG3 1 1 10 3737 1 1 1 PCA N N 0.420 9.876 7.365 1.00 . A A . 1 PCA N 1 1 10 3738 1 1 1 PCA O O -1.042 8.528 10.336 1.00 . A A . 1 PCA O 1 1 10 3739 1 1 1 PCA OE O -0.361 11.505 5.954 1.00 . A A . 1 PCA OE 1 1 10 3740 1 1 2 THR C C -1.145 5.339 8.284 1.00 . A A . 2 THR C 1 1 10 3741 1 1 2 THR CA C -1.955 6.629 8.455 1.00 . A A . 2 THR CA 1 1 10 3742 1 1 2 THR CB C -3.183 6.792 7.540 1.00 . A A . 2 THR CB 1 1 10 3743 1 1 2 THR CG2 C -4.393 6.036 8.105 1.00 . A A . 2 THR CG2 1 1 10 3744 1 1 2 THR H H -0.661 7.836 7.297 1.00 . A A . 2 THR H 1 1 10 3745 1 1 2 THR HA H -2.315 6.625 9.480 1.00 . A A . 2 THR HA 1 1 10 3746 1 1 2 THR HB H -2.934 6.461 6.533 1.00 . A A . 2 THR HB 1 1 10 3747 1 1 2 THR HG1 H -4.292 8.254 6.866 1.00 . A A . 2 THR HG1 1 1 10 3748 1 1 2 THR HG21 H -5.243 6.127 7.429 1.00 . A A . 2 THR HG21 1 1 10 3749 1 1 2 THR HG22 H -4.169 4.979 8.243 1.00 . A A . 2 THR HG22 1 1 10 3750 1 1 2 THR HG23 H -4.671 6.461 9.071 1.00 . A A . 2 THR HG23 1 1 10 3751 1 1 2 THR N N -1.041 7.740 8.226 1.00 . A A . 2 THR N 1 1 10 3752 1 1 2 THR O O -0.033 5.262 8.803 1.00 . A A . 2 THR O 1 1 10 3753 1 1 2 THR OG1 O -3.541 8.161 7.456 1.00 . A A . 2 THR OG1 1 1 10 3754 1 1 3 GLN C C 0.372 3.624 6.313 1.00 . A A . 3 GLN C 1 1 10 3755 1 1 3 GLN CA C -0.778 3.190 7.220 1.00 . A A . 3 GLN CA 1 1 10 3756 1 1 3 GLN CB C -1.568 2.093 6.505 1.00 . A A . 3 GLN CB 1 1 10 3757 1 1 3 GLN CD C -3.321 0.315 6.779 1.00 . A A . 3 GLN CD 1 1 10 3758 1 1 3 GLN CG C -2.665 1.494 7.382 1.00 . A A . 3 GLN CG 1 1 10 3759 1 1 3 GLN H H -2.536 4.414 7.095 1.00 . A A . 3 GLN H 1 1 10 3760 1 1 3 GLN HA H -0.360 2.771 8.137 1.00 . A A . 3 GLN HA 1 1 10 3761 1 1 3 GLN HB3 H -0.869 1.298 6.234 1.00 . A A . 3 GLN HB3 1 1 10 3762 1 1 3 GLN HE21 H -4.461 0.269 8.469 1.00 . A A . 3 GLN HE21 1 1 10 3763 1 1 3 GLN HE22 H -4.538 -1.063 7.372 1.00 . A A . 3 GLN HE22 1 1 10 3764 1 1 3 GLN HG3 H -3.507 2.145 7.574 1.00 . A A . 3 GLN HG3 1 1 10 3765 1 1 3 GLN N N -1.629 4.335 7.542 1.00 . A A . 3 GLN N 1 1 10 3766 1 1 3 GLN NE2 N -4.233 -0.169 7.590 1.00 . A A . 3 GLN NE2 1 1 10 3767 1 1 3 GLN O O 1.463 3.062 6.370 1.00 . A A . 3 GLN O 1 1 10 3768 1 1 3 GLN OE1 O -3.011 -0.161 5.689 1.00 . A A . 3 GLN OE1 1 1 10 3769 1 1 4 CYS C C 0.599 6.440 3.981 1.00 . A A . 4 CYS C 1 1 10 3770 1 1 4 CYS CA C 0.988 5.031 4.385 1.00 . A A . 4 CYS CA 1 1 10 3771 1 1 4 CYS CB C 0.852 4.127 3.159 1.00 . A A . 4 CYS CB 1 1 10 3772 1 1 4 CYS H H -0.816 5.024 5.441 1.00 . A A . 4 CYS H 1 1 10 3773 1 1 4 CYS HA H 2.020 5.026 4.740 1.00 . A A . 4 CYS HA 1 1 10 3774 1 1 4 CYS HB3 H 1.232 3.144 3.399 1.00 . A A . 4 CYS HB3 1 1 10 3775 1 1 4 CYS N N 0.093 4.585 5.434 1.00 . A A . 4 CYS N 1 1 10 3776 1 1 4 CYS O O -0.485 6.917 4.321 1.00 . A A . 4 CYS O 1 1 10 3777 1 1 4 CYS SG S -0.827 3.989 2.489 1.00 . A A . 4 CYS SG 1 1 10 3778 1 1 5 GLN C C 1.367 8.125 1.011 1.00 . A A . 5 GLN C 1 1 10 3779 1 1 5 GLN CA C 1.302 8.323 2.530 1.00 . A A . 5 GLN CA 1 1 10 3780 1 1 5 GLN CB C 2.355 9.339 2.987 1.00 . A A . 5 GLN CB 1 1 10 3781 1 1 5 GLN CD C 3.113 10.755 4.935 1.00 . A A . 5 GLN CD 1 1 10 3782 1 1 5 GLN CG C 2.319 9.525 4.508 1.00 . A A . 5 GLN CG 1 1 10 3783 1 1 5 GLN H H 2.376 6.572 3.054 1.00 . A A . 5 GLN H 1 1 10 3784 1 1 5 GLN HA H 0.316 8.730 2.764 1.00 . A A . 5 GLN HA 1 1 10 3785 1 1 5 GLN HB3 H 2.145 10.294 2.502 1.00 . A A . 5 GLN HB3 1 1 10 3786 1 1 5 GLN HE21 H 1.431 11.904 5.015 1.00 . A A . 5 GLN HE21 1 1 10 3787 1 1 5 GLN HE22 H 2.949 12.713 5.390 1.00 . A A . 5 GLN HE22 1 1 10 3788 1 1 5 GLN HG3 H 2.746 8.648 4.995 1.00 . A A . 5 GLN HG3 1 1 10 3789 1 1 5 GLN N N 1.498 7.065 3.227 1.00 . A A . 5 GLN N 1 1 10 3790 1 1 5 GLN NE2 N 2.439 11.887 5.119 1.00 . A A . 5 GLN NE2 1 1 10 3791 1 1 5 GLN O O 0.791 8.924 0.274 1.00 . A A . 5 GLN O 1 1 10 3792 1 1 5 GLN OE1 O 4.325 10.695 5.101 1.00 . A A . 5 GLN OE1 1 1 10 3793 1 1 6 SER C C 2.682 5.448 -1.152 1.00 . A A . 6 SER C 1 1 10 3794 1 1 6 SER CA C 2.267 6.897 -0.922 1.00 . A A . 6 SER CA 1 1 10 3795 1 1 6 SER CB C 3.340 7.858 -1.449 1.00 . A A . 6 SER CB 1 1 10 3796 1 1 6 SER H H 2.565 6.451 1.132 1.00 . A A . 6 SER H 1 1 10 3797 1 1 6 SER HA H 1.330 7.071 -1.452 1.00 . A A . 6 SER HA 1 1 10 3798 1 1 6 SER HB3 H 3.697 7.524 -2.424 1.00 . A A . 6 SER HB3 1 1 10 3799 1 1 6 SER HG H 2.117 9.297 -0.941 1.00 . A A . 6 SER HG 1 1 10 3800 1 1 6 SER N N 2.077 7.107 0.508 1.00 . A A . 6 SER N 1 1 10 3801 1 1 6 SER O O 3.204 4.808 -0.248 1.00 . A A . 6 SER O 1 1 10 3802 1 1 6 SER OG O 2.809 9.158 -1.603 1.00 . A A . 6 SER OG 1 1 10 3803 1 1 7 VAL C C 3.951 2.922 -2.129 1.00 . A A . 7 VAL C 1 1 10 3804 1 1 7 VAL CA C 2.628 3.500 -2.653 1.00 . A A . 7 VAL CA 1 1 10 3805 1 1 7 VAL CB C 2.417 3.304 -4.163 1.00 . A A . 7 VAL CB 1 1 10 3806 1 1 7 VAL CG1 C 3.577 3.831 -5.016 1.00 . A A . 7 VAL CG1 1 1 10 3807 1 1 7 VAL CG2 C 2.151 1.835 -4.463 1.00 . A A . 7 VAL CG2 1 1 10 3808 1 1 7 VAL H H 1.996 5.447 -3.073 1.00 . A A . 7 VAL H 1 1 10 3809 1 1 7 VAL HA H 1.827 2.977 -2.127 1.00 . A A . 7 VAL HA 1 1 10 3810 1 1 7 VAL HB H 1.515 3.849 -4.454 1.00 . A A . 7 VAL HB 1 1 10 3811 1 1 7 VAL HG11 H 3.777 4.876 -4.778 1.00 . A A . 7 VAL HG11 1 1 10 3812 1 1 7 VAL HG12 H 4.478 3.242 -4.849 1.00 . A A . 7 VAL HG12 1 1 10 3813 1 1 7 VAL HG13 H 3.310 3.760 -6.072 1.00 . A A . 7 VAL HG13 1 1 10 3814 1 1 7 VAL HG21 H 1.928 1.717 -5.522 1.00 . A A . 7 VAL HG21 1 1 10 3815 1 1 7 VAL HG22 H 3.021 1.238 -4.199 1.00 . A A . 7 VAL HG22 1 1 10 3816 1 1 7 VAL HG23 H 1.291 1.517 -3.876 1.00 . A A . 7 VAL HG23 1 1 10 3817 1 1 7 VAL N N 2.449 4.910 -2.353 1.00 . A A . 7 VAL N 1 1 10 3818 1 1 7 VAL O O 3.967 1.798 -1.637 1.00 . A A . 7 VAL O 1 1 10 3819 1 1 8 ARG C C 6.282 2.751 -0.240 1.00 . A A . 8 ARG C 1 1 10 3820 1 1 8 ARG CA C 6.352 3.347 -1.651 1.00 . A A . 8 ARG CA 1 1 10 3821 1 1 8 ARG CB C 7.263 4.580 -1.656 1.00 . A A . 8 ARG CB 1 1 10 3822 1 1 8 ARG CD C 8.567 6.219 -3.041 1.00 . A A . 8 ARG CD 1 1 10 3823 1 1 8 ARG CG C 7.577 5.048 -3.082 1.00 . A A . 8 ARG CG 1 1 10 3824 1 1 8 ARG CZ C 9.852 6.056 -5.183 1.00 . A A . 8 ARG CZ 1 1 10 3825 1 1 8 ARG H H 4.923 4.610 -2.600 1.00 . A A . 8 ARG H 1 1 10 3826 1 1 8 ARG HA H 6.797 2.595 -2.301 1.00 . A A . 8 ARG HA 1 1 10 3827 1 1 8 ARG HB3 H 8.198 4.312 -1.162 1.00 . A A . 8 ARG HB3 1 1 10 3828 1 1 8 ARG HD3 H 9.452 5.956 -2.459 1.00 . A A . 8 ARG HD3 1 1 10 3829 1 1 8 ARG HE H 8.505 7.508 -4.720 1.00 . A A . 8 ARG HE 1 1 10 3830 1 1 8 ARG HG3 H 6.661 5.372 -3.580 1.00 . A A . 8 ARG HG3 1 1 10 3831 1 1 8 ARG HH11 H 10.171 4.525 -3.890 1.00 . A A . 8 ARG HH11 1 1 10 3832 1 1 8 ARG HH12 H 11.127 4.443 -5.338 1.00 . A A . 8 ARG HH12 1 1 10 3833 1 1 8 ARG HH21 H 9.724 7.437 -6.687 1.00 . A A . 8 ARG HH21 1 1 10 3834 1 1 8 ARG HH22 H 10.837 6.143 -6.980 1.00 . A A . 8 ARG HH22 1 1 10 3835 1 1 8 ARG N N 5.039 3.697 -2.192 1.00 . A A . 8 ARG N 1 1 10 3836 1 1 8 ARG NE N 8.949 6.662 -4.393 1.00 . A A . 8 ARG NE 1 1 10 3837 1 1 8 ARG NH1 N 10.440 4.924 -4.778 1.00 . A A . 8 ARG NH1 1 1 10 3838 1 1 8 ARG NH2 N 10.162 6.583 -6.373 1.00 . A A . 8 ARG NH2 1 1 10 3839 1 1 8 ARG O O 6.951 1.758 0.048 1.00 . A A . 8 ARG O 1 1 10 3840 1 1 9 ASP C C 4.756 1.396 1.876 1.00 . A A . 9 ASP C 1 1 10 3841 1 1 9 ASP CA C 5.209 2.853 1.971 1.00 . A A . 9 ASP CA 1 1 10 3842 1 1 9 ASP CB C 4.104 3.742 2.551 1.00 . A A . 9 ASP CB 1 1 10 3843 1 1 9 ASP CG C 4.545 5.175 2.788 1.00 . A A . 9 ASP CG 1 1 10 3844 1 1 9 ASP H H 4.859 4.106 0.348 1.00 . A A . 9 ASP H 1 1 10 3845 1 1 9 ASP HA H 6.112 2.918 2.583 1.00 . A A . 9 ASP HA 1 1 10 3846 1 1 9 ASP HB3 H 3.694 3.347 3.465 1.00 . A A . 9 ASP HB3 1 1 10 3847 1 1 9 ASP N N 5.462 3.342 0.633 1.00 . A A . 9 ASP N 1 1 10 3848 1 1 9 ASP O O 5.348 0.483 2.461 1.00 . A A . 9 ASP O 1 1 10 3849 1 1 9 ASP OD1 O 5.605 5.366 3.416 1.00 . A A . 9 ASP OD1 1 1 10 3850 1 1 9 ASP OD2 O 3.789 6.060 2.331 1.00 . A A . 9 ASP OD2 1 1 10 3851 1 1 10 CYS C C 4.364 -1.044 0.188 1.00 . A A . 10 CYS C 1 1 10 3852 1 1 10 CYS CA C 3.290 -0.208 0.873 1.00 . A A . 10 CYS CA 1 1 10 3853 1 1 10 CYS CB C 1.967 -0.390 0.126 1.00 . A A . 10 CYS CB 1 1 10 3854 1 1 10 CYS H H 3.355 1.899 0.484 1.00 . A A . 10 CYS H 1 1 10 3855 1 1 10 CYS HA H 3.163 -0.624 1.870 1.00 . A A . 10 CYS HA 1 1 10 3856 1 1 10 CYS HB3 H 2.270 -0.684 -0.838 1.00 . A A . 10 CYS HB3 1 1 10 3857 1 1 10 CYS N N 3.720 1.159 1.066 1.00 . A A . 10 CYS N 1 1 10 3858 1 1 10 CYS O O 4.409 -2.233 0.441 1.00 . A A . 10 CYS O 1 1 10 3859 1 1 10 CYS SG S 0.928 -1.698 0.832 1.00 . A A . 10 CYS SG 1 1 10 3860 1 1 11 GLN C C 7.170 -1.899 -0.340 1.00 . A A . 11 GLN C 1 1 10 3861 1 1 11 GLN CA C 6.220 -1.293 -1.376 1.00 . A A . 11 GLN CA 1 1 10 3862 1 1 11 GLN CB C 7.000 -0.494 -2.427 1.00 . A A . 11 GLN CB 1 1 10 3863 1 1 11 GLN CD C 6.946 0.654 -4.672 1.00 . A A . 11 GLN CD 1 1 10 3864 1 1 11 GLN CG C 6.129 -0.085 -3.618 1.00 . A A . 11 GLN CG 1 1 10 3865 1 1 11 GLN H H 5.076 0.487 -0.941 1.00 . A A . 11 GLN H 1 1 10 3866 1 1 11 GLN HA H 5.731 -2.118 -1.900 1.00 . A A . 11 GLN HA 1 1 10 3867 1 1 11 GLN HB3 H 7.804 -1.131 -2.800 1.00 . A A . 11 GLN HB3 1 1 10 3868 1 1 11 GLN HE21 H 7.783 -1.079 -5.332 1.00 . A A . 11 GLN HE21 1 1 10 3869 1 1 11 GLN HE22 H 8.280 0.383 -6.163 1.00 . A A . 11 GLN HE22 1 1 10 3870 1 1 11 GLN HG3 H 5.323 0.563 -3.285 1.00 . A A . 11 GLN HG3 1 1 10 3871 1 1 11 GLN N N 5.188 -0.494 -0.710 1.00 . A A . 11 GLN N 1 1 10 3872 1 1 11 GLN NE2 N 7.738 -0.078 -5.450 1.00 . A A . 11 GLN NE2 1 1 10 3873 1 1 11 GLN O O 7.665 -3.007 -0.525 1.00 . A A . 11 GLN O 1 1 10 3874 1 1 11 GLN OE1 O 6.874 1.873 -4.789 1.00 . A A . 11 GLN OE1 1 1 10 3875 1 1 12 GLN C C 7.317 -2.893 2.525 1.00 . A A . 12 GLN C 1 1 10 3876 1 1 12 GLN CA C 8.144 -1.768 1.886 1.00 . A A . 12 GLN CA 1 1 10 3877 1 1 12 GLN CB C 8.511 -0.683 2.901 1.00 . A A . 12 GLN CB 1 1 10 3878 1 1 12 GLN CD C 10.793 0.449 2.876 1.00 . A A . 12 GLN CD 1 1 10 3879 1 1 12 GLN CG C 9.402 0.391 2.255 1.00 . A A . 12 GLN CG 1 1 10 3880 1 1 12 GLN H H 7.032 -0.251 0.851 1.00 . A A . 12 GLN H 1 1 10 3881 1 1 12 GLN HA H 9.082 -2.186 1.519 1.00 . A A . 12 GLN HA 1 1 10 3882 1 1 12 GLN HB3 H 9.024 -1.146 3.746 1.00 . A A . 12 GLN HB3 1 1 10 3883 1 1 12 GLN HE21 H 11.174 -1.489 2.383 1.00 . A A . 12 GLN HE21 1 1 10 3884 1 1 12 GLN HE22 H 12.456 -0.634 3.222 1.00 . A A . 12 GLN HE22 1 1 10 3885 1 1 12 GLN HG3 H 8.912 1.352 2.379 1.00 . A A . 12 GLN HG3 1 1 10 3886 1 1 12 GLN N N 7.422 -1.186 0.762 1.00 . A A . 12 GLN N 1 1 10 3887 1 1 12 GLN NE2 N 11.535 -0.653 2.813 1.00 . A A . 12 GLN NE2 1 1 10 3888 1 1 12 GLN O O 7.855 -3.938 2.882 1.00 . A A . 12 GLN O 1 1 10 3889 1 1 12 GLN OE1 O 11.207 1.475 3.403 1.00 . A A . 12 GLN OE1 1 1 10 3890 1 1 13 TYR C C 4.781 -4.879 2.623 1.00 . A A . 13 TYR C 1 1 10 3891 1 1 13 TYR CA C 5.099 -3.575 3.382 1.00 . A A . 13 TYR CA 1 1 10 3892 1 1 13 TYR CB C 3.796 -2.818 3.656 1.00 . A A . 13 TYR CB 1 1 10 3893 1 1 13 TYR CD1 C 3.454 -3.013 6.153 1.00 . A A . 13 TYR CD1 1 1 10 3894 1 1 13 TYR CD2 C 1.824 -4.047 4.672 1.00 . A A . 13 TYR CD2 1 1 10 3895 1 1 13 TYR CE1 C 2.722 -3.457 7.267 1.00 . A A . 13 TYR CE1 1 1 10 3896 1 1 13 TYR CE2 C 1.091 -4.492 5.786 1.00 . A A . 13 TYR CE2 1 1 10 3897 1 1 13 TYR CG C 3.011 -3.315 4.852 1.00 . A A . 13 TYR CG 1 1 10 3898 1 1 13 TYR CZ C 1.544 -4.198 7.085 1.00 . A A . 13 TYR CZ 1 1 10 3899 1 1 13 TYR H H 5.651 -1.765 2.381 1.00 . A A . 13 TYR H 1 1 10 3900 1 1 13 TYR HA H 5.559 -3.837 4.336 1.00 . A A . 13 TYR HA 1 1 10 3901 1 1 13 TYR HB3 H 3.170 -2.865 2.764 1.00 . A A . 13 TYR HB3 1 1 10 3902 1 1 13 TYR HD1 H 4.358 -2.438 6.298 1.00 . A A . 13 TYR HD1 1 1 10 3903 1 1 13 TYR HD2 H 1.458 -4.256 3.679 1.00 . A A . 13 TYR HD2 1 1 10 3904 1 1 13 TYR HE1 H 3.063 -3.225 8.266 1.00 . A A . 13 TYR HE1 1 1 10 3905 1 1 13 TYR HE2 H 0.181 -5.050 5.635 1.00 . A A . 13 TYR HE2 1 1 10 3906 1 1 13 TYR HH H 0.058 -5.130 7.934 1.00 . A A . 13 TYR HH 1 1 10 3907 1 1 13 TYR N N 6.011 -2.664 2.688 1.00 . A A . 13 TYR N 1 1 10 3908 1 1 13 TYR O O 4.534 -5.912 3.241 1.00 . A A . 13 TYR O 1 1 10 3909 1 1 13 TYR OH O 0.839 -4.626 8.170 1.00 . A A . 13 TYR OH 1 1 10 3910 1 1 14 CYS C C 4.839 -5.886 -0.890 1.00 . A A . 14 CYS C 1 1 10 3911 1 1 14 CYS CA C 4.048 -5.770 0.402 1.00 . A A . 14 CYS CA 1 1 10 3912 1 1 14 CYS CB C 2.632 -5.296 0.036 1.00 . A A . 14 CYS CB 1 1 10 3913 1 1 14 CYS H H 4.993 -3.931 0.887 1.00 . A A . 14 CYS H 1 1 10 3914 1 1 14 CYS HA H 3.994 -6.749 0.878 1.00 . A A . 14 CYS HA 1 1 10 3915 1 1 14 CYS HB3 H 2.312 -5.719 -0.921 1.00 . A A . 14 CYS HB3 1 1 10 3916 1 1 14 CYS N N 4.695 -4.804 1.294 1.00 . A A . 14 CYS N 1 1 10 3917 1 1 14 CYS O O 5.373 -4.897 -1.383 1.00 . A A . 14 CYS O 1 1 10 3918 1 1 14 CYS SG S 1.365 -5.755 1.243 1.00 . A A . 14 CYS SG 1 1 10 3919 1 1 15 LEU C C 4.912 -6.522 -3.856 1.00 . A A . 15 LEU C 1 1 10 3920 1 1 15 LEU CA C 5.555 -7.339 -2.729 1.00 . A A . 15 LEU CA 1 1 10 3921 1 1 15 LEU CB C 5.576 -8.853 -3.019 1.00 . A A . 15 LEU CB 1 1 10 3922 1 1 15 LEU CD1 C 6.896 -8.675 -5.223 1.00 . A A . 15 LEU CD1 1 1 10 3923 1 1 15 LEU CD2 C 8.098 -9.253 -3.100 1.00 . A A . 15 LEU CD2 1 1 10 3924 1 1 15 LEU CG C 6.767 -9.358 -3.858 1.00 . A A . 15 LEU CG 1 1 10 3925 1 1 15 LEU H H 4.383 -7.855 -1.026 1.00 . A A . 15 LEU H 1 1 10 3926 1 1 15 LEU HA H 6.578 -6.987 -2.594 1.00 . A A . 15 LEU HA 1 1 10 3927 1 1 15 LEU HB3 H 4.647 -9.138 -3.513 1.00 . A A . 15 LEU HB3 1 1 10 3928 1 1 15 LEU HD11 H 5.943 -8.703 -5.749 1.00 . A A . 15 LEU HD11 1 1 10 3929 1 1 15 LEU HD12 H 7.223 -7.643 -5.108 1.00 . A A . 15 LEU HD12 1 1 10 3930 1 1 15 LEU HD13 H 7.639 -9.204 -5.822 1.00 . A A . 15 LEU HD13 1 1 10 3931 1 1 15 LEU HD21 H 8.012 -9.734 -2.125 1.00 . A A . 15 LEU HD21 1 1 10 3932 1 1 15 LEU HD22 H 8.877 -9.761 -3.669 1.00 . A A . 15 LEU HD22 1 1 10 3933 1 1 15 LEU HD23 H 8.392 -8.214 -2.963 1.00 . A A . 15 LEU HD23 1 1 10 3934 1 1 15 LEU HG H 6.588 -10.418 -4.041 1.00 . A A . 15 LEU HG 1 1 10 3935 1 1 15 LEU N N 4.858 -7.088 -1.476 1.00 . A A . 15 LEU N 1 1 10 3936 1 1 15 LEU O O 5.606 -5.774 -4.537 1.00 . A A . 15 LEU O 1 1 10 3937 1 1 16 THR C C 1.675 -5.171 -4.510 1.00 . A A . 16 THR C 1 1 10 3938 1 1 16 THR CA C 2.877 -5.917 -5.095 1.00 . A A . 16 THR CA 1 1 10 3939 1 1 16 THR CB C 2.458 -6.873 -6.222 1.00 . A A . 16 THR CB 1 1 10 3940 1 1 16 THR CG2 C 1.949 -6.094 -7.437 1.00 . A A . 16 THR CG2 1 1 10 3941 1 1 16 THR H H 3.038 -7.263 -3.453 1.00 . A A . 16 THR H 1 1 10 3942 1 1 16 THR HA H 3.525 -5.167 -5.551 1.00 . A A . 16 THR HA 1 1 10 3943 1 1 16 THR HB H 1.672 -7.542 -5.871 1.00 . A A . 16 THR HB 1 1 10 3944 1 1 16 THR HG1 H 3.902 -8.118 -5.863 1.00 . A A . 16 THR HG1 1 1 10 3945 1 1 16 THR HG21 H 2.737 -5.441 -7.811 1.00 . A A . 16 THR HG21 1 1 10 3946 1 1 16 THR HG22 H 1.662 -6.795 -8.221 1.00 . A A . 16 THR HG22 1 1 10 3947 1 1 16 THR HG23 H 1.083 -5.490 -7.167 1.00 . A A . 16 THR HG23 1 1 10 3948 1 1 16 THR N N 3.591 -6.652 -4.052 1.00 . A A . 16 THR N 1 1 10 3949 1 1 16 THR O O 0.544 -5.657 -4.570 1.00 . A A . 16 THR O 1 1 10 3950 1 1 16 THR OG1 O 3.560 -7.654 -6.631 1.00 . A A . 16 THR OG1 1 1 10 3951 1 1 17 PRO C C -0.196 -2.804 -4.552 1.00 . A A . 17 PRO C 1 1 10 3952 1 1 17 PRO CA C 0.792 -3.186 -3.449 1.00 . A A . 17 PRO CA 1 1 10 3953 1 1 17 PRO CB C 1.403 -2.015 -2.689 1.00 . A A . 17 PRO CB 1 1 10 3954 1 1 17 PRO CD C 3.064 -3.555 -3.238 1.00 . A A . 17 PRO CD 1 1 10 3955 1 1 17 PRO CG C 2.903 -2.108 -2.890 1.00 . A A . 17 PRO CG 1 1 10 3956 1 1 17 PRO HA H 0.358 -3.823 -2.692 1.00 . A A . 17 PRO HA 1 1 10 3957 1 1 17 PRO HB3 H 1.100 -2.117 -1.659 1.00 . A A . 17 PRO HB3 1 1 10 3958 1 1 17 PRO HD3 H 2.961 -3.968 -2.263 1.00 . A A . 17 PRO HD3 1 1 10 3959 1 1 17 PRO HG3 H 3.476 -1.909 -2.001 1.00 . A A . 17 PRO HG3 1 1 10 3960 1 1 17 PRO N N 1.882 -3.978 -3.940 1.00 . A A . 17 PRO N 1 1 10 3961 1 1 17 PRO O O 0.198 -2.548 -5.688 1.00 . A A . 17 PRO O 1 1 10 3962 1 1 18 ASP C C -2.367 -0.747 -5.059 1.00 . A A . 18 ASP C 1 1 10 3963 1 1 18 ASP CA C -2.550 -2.261 -5.029 1.00 . A A . 18 ASP CA 1 1 10 3964 1 1 18 ASP CB C -3.912 -2.653 -4.415 1.00 . A A . 18 ASP CB 1 1 10 3965 1 1 18 ASP CG C -5.081 -2.471 -5.372 1.00 . A A . 18 ASP CG 1 1 10 3966 1 1 18 ASP H H -1.692 -2.892 -3.222 1.00 . A A . 18 ASP H 1 1 10 3967 1 1 18 ASP HA H -2.452 -2.670 -6.035 1.00 . A A . 18 ASP HA 1 1 10 3968 1 1 18 ASP HB3 H -4.102 -2.048 -3.535 1.00 . A A . 18 ASP HB3 1 1 10 3969 1 1 18 ASP N N -1.481 -2.785 -4.203 1.00 . A A . 18 ASP N 1 1 10 3970 1 1 18 ASP O O -2.216 -0.144 -6.118 1.00 . A A . 18 ASP O 1 1 10 3971 1 1 18 ASP OD1 O -4.907 -2.776 -6.570 1.00 . A A . 18 ASP OD1 1 1 10 3972 1 1 18 ASP OD2 O -6.173 -2.070 -4.901 1.00 . A A . 18 ASP OD2 1 1 10 3973 1 1 19 ARG C C -1.951 1.630 -2.268 1.00 . A A . 19 ARG C 1 1 10 3974 1 1 19 ARG CA C -2.292 1.311 -3.719 1.00 . A A . 19 ARG CA 1 1 10 3975 1 1 19 ARG CB C -3.633 1.989 -4.063 1.00 . A A . 19 ARG CB 1 1 10 3976 1 1 19 ARG CD C -6.172 1.580 -4.527 1.00 . A A . 19 ARG CD 1 1 10 3977 1 1 19 ARG CG C -4.847 1.075 -3.951 1.00 . A A . 19 ARG CG 1 1 10 3978 1 1 19 ARG CZ C -8.058 0.246 -5.518 1.00 . A A . 19 ARG CZ 1 1 10 3979 1 1 19 ARG H H -2.636 -0.639 -3.027 1.00 . A A . 19 ARG H 1 1 10 3980 1 1 19 ARG HA H -1.503 1.699 -4.365 1.00 . A A . 19 ARG HA 1 1 10 3981 1 1 19 ARG HB3 H -3.585 2.456 -5.047 1.00 . A A . 19 ARG HB3 1 1 10 3982 1 1 19 ARG HD3 H -5.976 2.022 -5.506 1.00 . A A . 19 ARG HD3 1 1 10 3983 1 1 19 ARG HE H -6.607 -0.479 -4.380 1.00 . A A . 19 ARG HE 1 1 10 3984 1 1 19 ARG HG3 H -4.923 0.746 -2.926 1.00 . A A . 19 ARG HG3 1 1 10 3985 1 1 19 ARG HH11 H -8.433 2.228 -5.695 1.00 . A A . 19 ARG HH11 1 1 10 3986 1 1 19 ARG HH12 H -9.494 1.209 -6.629 1.00 . A A . 19 ARG HH12 1 1 10 3987 1 1 19 ARG HH21 H -7.698 -1.716 -5.559 1.00 . A A . 19 ARG HH21 1 1 10 3988 1 1 19 ARG HH22 H -9.143 -1.244 -6.471 1.00 . A A . 19 ARG HH22 1 1 10 3989 1 1 19 ARG N N -2.391 -0.127 -3.872 1.00 . A A . 19 ARG N 1 1 10 3990 1 1 19 ARG NE N -7.029 0.402 -4.685 1.00 . A A . 19 ARG NE 1 1 10 3991 1 1 19 ARG NH1 N -8.719 1.308 -5.990 1.00 . A A . 19 ARG NH1 1 1 10 3992 1 1 19 ARG NH2 N -8.375 -1.001 -5.867 1.00 . A A . 19 ARG NH2 1 1 10 3993 1 1 19 ARG O O -2.366 0.910 -1.366 1.00 . A A . 19 ARG O 1 1 10 3994 1 1 20 CYS C C -2.887 4.351 -1.186 1.00 . A A . 20 CYS C 1 1 10 3995 1 1 20 CYS CA C -1.629 3.555 -0.854 1.00 . A A . 20 CYS CA 1 1 10 3996 1 1 20 CYS CB C -0.493 4.504 -0.480 1.00 . A A . 20 CYS CB 1 1 10 3997 1 1 20 CYS H H -1.075 3.327 -2.866 1.00 . A A . 20 CYS H 1 1 10 3998 1 1 20 CYS HA H -1.812 2.897 -0.009 1.00 . A A . 20 CYS HA 1 1 10 3999 1 1 20 CYS HB3 H -0.321 5.204 -1.296 1.00 . A A . 20 CYS HB3 1 1 10 4000 1 1 20 CYS N N -1.325 2.788 -2.051 1.00 . A A . 20 CYS N 1 1 10 4001 1 1 20 CYS O O -2.882 5.118 -2.150 1.00 . A A . 20 CYS O 1 1 10 4002 1 1 20 CYS SG S -0.911 5.445 1.005 1.00 . A A . 20 CYS SG 1 1 10 4003 1 1 21 SER C C -6.160 4.606 0.425 1.00 . A A . 21 SER C 1 1 10 4004 1 1 21 SER CA C -5.277 4.713 -0.812 1.00 . A A . 21 SER CA 1 1 10 4005 1 1 21 SER CB C -5.881 3.993 -2.023 1.00 . A A . 21 SER CB 1 1 10 4006 1 1 21 SER H H -4.005 3.416 0.251 1.00 . A A . 21 SER H 1 1 10 4007 1 1 21 SER HA H -5.140 5.773 -1.035 1.00 . A A . 21 SER HA 1 1 10 4008 1 1 21 SER HB3 H -6.965 4.075 -1.971 1.00 . A A . 21 SER HB3 1 1 10 4009 1 1 21 SER HG H -4.499 4.889 -3.069 1.00 . A A . 21 SER HG 1 1 10 4010 1 1 21 SER N N -3.999 4.106 -0.496 1.00 . A A . 21 SER N 1 1 10 4011 1 1 21 SER O O -6.047 3.634 1.158 1.00 . A A . 21 SER O 1 1 10 4012 1 1 21 SER OG O -5.424 4.632 -3.200 1.00 . A A . 21 SER OG 1 1 10 4013 1 1 22 TYR C C -6.959 5.507 3.168 1.00 . A A . 22 TYR C 1 1 10 4014 1 1 22 TYR CA C -7.828 5.638 1.904 1.00 . A A . 22 TYR CA 1 1 10 4015 1 1 22 TYR CB C -8.921 4.573 1.796 1.00 . A A . 22 TYR CB 1 1 10 4016 1 1 22 TYR CD1 C -11.102 5.661 2.474 1.00 . A A . 22 TYR CD1 1 1 10 4017 1 1 22 TYR CD2 C -10.250 3.822 3.824 1.00 . A A . 22 TYR CD2 1 1 10 4018 1 1 22 TYR CE1 C -12.253 5.715 3.278 1.00 . A A . 22 TYR CE1 1 1 10 4019 1 1 22 TYR CE2 C -11.402 3.877 4.627 1.00 . A A . 22 TYR CE2 1 1 10 4020 1 1 22 TYR CG C -10.095 4.714 2.745 1.00 . A A . 22 TYR CG 1 1 10 4021 1 1 22 TYR CZ C -12.404 4.822 4.351 1.00 . A A . 22 TYR CZ 1 1 10 4022 1 1 22 TYR H H -7.059 6.391 0.060 1.00 . A A . 22 TYR H 1 1 10 4023 1 1 22 TYR HA H -8.349 6.581 1.942 1.00 . A A . 22 TYR HA 1 1 10 4024 1 1 22 TYR HB3 H -8.435 3.629 1.981 1.00 . A A . 22 TYR HB3 1 1 10 4025 1 1 22 TYR HD1 H -11.007 6.327 1.629 1.00 . A A . 22 TYR HD1 1 1 10 4026 1 1 22 TYR HD2 H -9.491 3.082 4.033 1.00 . A A . 22 TYR HD2 1 1 10 4027 1 1 22 TYR HE1 H -13.032 6.430 3.059 1.00 . A A . 22 TYR HE1 1 1 10 4028 1 1 22 TYR HE2 H -11.510 3.184 5.446 1.00 . A A . 22 TYR HE2 1 1 10 4029 1 1 22 TYR HH H -13.547 4.206 5.805 1.00 . A A . 22 TYR HH 1 1 10 4030 1 1 22 TYR N N -7.000 5.609 0.697 1.00 . A A . 22 TYR N 1 1 10 4031 1 1 22 TYR O O -7.323 4.826 4.123 1.00 . A A . 22 TYR O 1 1 10 4032 1 1 22 TYR OH O -13.537 4.865 5.109 1.00 . A A . 22 TYR OH 1 1 10 4033 1 1 23 GLY C C -4.389 4.576 4.572 1.00 . A A . 23 GLY C 1 1 10 4034 1 1 23 GLY CA C -4.769 6.019 4.213 1.00 . A A . 23 GLY CA 1 1 10 4035 1 1 23 GLY H H -5.526 6.663 2.334 1.00 . A A . 23 GLY H 1 1 10 4036 1 1 23 GLY HA2 H -3.867 6.540 3.894 1.00 . A A . 23 GLY HA2 1 1 10 4037 1 1 23 GLY HA3 H -5.161 6.518 5.100 1.00 . A A . 23 GLY HA3 1 1 10 4038 1 1 23 GLY N N -5.766 6.118 3.149 1.00 . A A . 23 GLY N 1 1 10 4039 1 1 23 GLY O O -3.848 4.324 5.649 1.00 . A A . 23 GLY O 1 1 10 4040 1 1 24 THR C C -3.583 1.731 2.718 1.00 . A A . 24 THR C 1 1 10 4041 1 1 24 THR CA C -4.527 2.205 3.821 1.00 . A A . 24 THR CA 1 1 10 4042 1 1 24 THR CB C -5.917 1.558 3.701 1.00 . A A . 24 THR CB 1 1 10 4043 1 1 24 THR CG2 C -5.890 0.044 3.929 1.00 . A A . 24 THR CG2 1 1 10 4044 1 1 24 THR H H -5.037 3.927 2.770 1.00 . A A . 24 THR H 1 1 10 4045 1 1 24 THR HA H -4.118 1.979 4.801 1.00 . A A . 24 THR HA 1 1 10 4046 1 1 24 THR HB H -6.316 1.738 2.705 1.00 . A A . 24 THR HB 1 1 10 4047 1 1 24 THR HG1 H -6.884 3.080 4.471 1.00 . A A . 24 THR HG1 1 1 10 4048 1 1 24 THR HG21 H -6.900 -0.352 3.813 1.00 . A A . 24 THR HG21 1 1 10 4049 1 1 24 THR HG22 H -5.238 -0.445 3.207 1.00 . A A . 24 THR HG22 1 1 10 4050 1 1 24 THR HG23 H -5.545 -0.175 4.939 1.00 . A A . 24 THR HG23 1 1 10 4051 1 1 24 THR N N -4.667 3.639 3.662 1.00 . A A . 24 THR N 1 1 10 4052 1 1 24 THR O O -3.717 2.162 1.572 1.00 . A A . 24 THR O 1 1 10 4053 1 1 24 THR OG1 O -6.796 2.132 4.648 1.00 . A A . 24 THR OG1 1 1 10 4054 1 1 25 CYS C C -2.310 -1.024 1.603 1.00 . A A . 25 CYS C 1 1 10 4055 1 1 25 CYS CA C -1.709 0.312 2.062 1.00 . A A . 25 CYS CA 1 1 10 4056 1 1 25 CYS CB C -0.252 0.356 2.558 1.00 . A A . 25 CYS CB 1 1 10 4057 1 1 25 CYS H H -2.590 0.497 3.994 1.00 . A A . 25 CYS H 1 1 10 4058 1 1 25 CYS HA H -1.688 0.960 1.187 1.00 . A A . 25 CYS HA 1 1 10 4059 1 1 25 CYS HB3 H -0.187 0.937 3.477 1.00 . A A . 25 CYS HB3 1 1 10 4060 1 1 25 CYS N N -2.614 0.878 3.051 1.00 . A A . 25 CYS N 1 1 10 4061 1 1 25 CYS O O -2.175 -2.068 2.236 1.00 . A A . 25 CYS O 1 1 10 4062 1 1 25 CYS SG S 0.654 -1.166 2.808 1.00 . A A . 25 CYS SG 1 1 10 4063 1 1 26 TYR C C -2.881 -2.866 -0.917 1.00 . A A . 26 TYR C 1 1 10 4064 1 1 26 TYR CA C -3.839 -2.037 -0.073 1.00 . A A . 26 TYR CA 1 1 10 4065 1 1 26 TYR CB C -4.918 -1.428 -0.976 1.00 . A A . 26 TYR CB 1 1 10 4066 1 1 26 TYR CD1 C -7.031 -1.736 0.376 1.00 . A A . 26 TYR CD1 1 1 10 4067 1 1 26 TYR CD2 C -6.344 0.525 -0.202 1.00 . A A . 26 TYR CD2 1 1 10 4068 1 1 26 TYR CE1 C -8.190 -1.227 0.988 1.00 . A A . 26 TYR CE1 1 1 10 4069 1 1 26 TYR CE2 C -7.549 1.021 0.327 1.00 . A A . 26 TYR CE2 1 1 10 4070 1 1 26 TYR CG C -6.106 -0.859 -0.225 1.00 . A A . 26 TYR CG 1 1 10 4071 1 1 26 TYR CZ C -8.452 0.150 0.958 1.00 . A A . 26 TYR CZ 1 1 10 4072 1 1 26 TYR H H -3.094 -0.062 0.025 1.00 . A A . 26 TYR H 1 1 10 4073 1 1 26 TYR HA H -4.292 -2.662 0.699 1.00 . A A . 26 TYR HA 1 1 10 4074 1 1 26 TYR HB3 H -5.310 -2.198 -1.638 1.00 . A A . 26 TYR HB3 1 1 10 4075 1 1 26 TYR HD1 H -6.857 -2.801 0.363 1.00 . A A . 26 TYR HD1 1 1 10 4076 1 1 26 TYR HD2 H -5.608 1.206 -0.598 1.00 . A A . 26 TYR HD2 1 1 10 4077 1 1 26 TYR HE1 H -8.891 -1.898 1.462 1.00 . A A . 26 TYR HE1 1 1 10 4078 1 1 26 TYR HE2 H -7.768 2.073 0.264 1.00 . A A . 26 TYR HE2 1 1 10 4079 1 1 26 TYR HH H -9.636 1.595 1.532 1.00 . A A . 26 TYR HH 1 1 10 4080 1 1 26 TYR N N -3.102 -0.940 0.533 1.00 . A A . 26 TYR N 1 1 10 4081 1 1 26 TYR O O -2.042 -2.269 -1.593 1.00 . A A . 26 TYR O 1 1 10 4082 1 1 26 TYR OH O -9.585 0.637 1.537 1.00 . A A . 26 TYR OH 1 1 10 4083 1 1 27 CYS C C -2.662 -6.097 -2.544 1.00 . A A . 27 CYS C 1 1 10 4084 1 1 27 CYS CA C -2.051 -5.093 -1.577 1.00 . A A . 27 CYS CA 1 1 10 4085 1 1 27 CYS CB C -1.126 -5.805 -0.588 1.00 . A A . 27 CYS CB 1 1 10 4086 1 1 27 CYS H H -3.712 -4.646 -0.346 1.00 . A A . 27 CYS H 1 1 10 4087 1 1 27 CYS HA H -1.418 -4.479 -2.180 1.00 . A A . 27 CYS HA 1 1 10 4088 1 1 27 CYS HB3 H -0.339 -6.274 -1.172 1.00 . A A . 27 CYS HB3 1 1 10 4089 1 1 27 CYS N N -3.003 -4.206 -0.912 1.00 . A A . 27 CYS N 1 1 10 4090 1 1 27 CYS O O -3.480 -6.925 -2.150 1.00 . A A . 27 CYS O 1 1 10 4091 1 1 27 CYS SG S -0.314 -4.718 0.600 1.00 . A A . 27 CYS SG 1 1 10 4092 1 1 28 LYS C C -1.323 -8.286 -4.349 1.00 . A A . 28 LYS C 1 1 10 4093 1 1 28 LYS CA C -2.361 -7.219 -4.711 1.00 . A A . 28 LYS CA 1 1 10 4094 1 1 28 LYS CB C -2.192 -6.721 -6.160 1.00 . A A . 28 LYS CB 1 1 10 4095 1 1 28 LYS CD C -4.475 -6.600 -7.233 1.00 . A A . 28 LYS CD 1 1 10 4096 1 1 28 LYS CE C -5.700 -5.740 -7.573 1.00 . A A . 28 LYS CE 1 1 10 4097 1 1 28 LYS CG C -3.325 -5.792 -6.612 1.00 . A A . 28 LYS CG 1 1 10 4098 1 1 28 LYS H H -1.372 -5.512 -4.003 1.00 . A A . 28 LYS H 1 1 10 4099 1 1 28 LYS HA H -3.361 -7.636 -4.597 1.00 . A A . 28 LYS HA 1 1 10 4100 1 1 28 LYS HB3 H -2.136 -7.574 -6.838 1.00 . A A . 28 LYS HB3 1 1 10 4101 1 1 28 LYS HD3 H -4.790 -7.374 -6.530 1.00 . A A . 28 LYS HD3 1 1 10 4102 1 1 28 LYS HE3 H -6.171 -5.401 -6.645 1.00 . A A . 28 LYS HE3 1 1 10 4103 1 1 28 LYS HG3 H -2.909 -5.107 -7.351 1.00 . A A . 28 LYS HG3 1 1 10 4104 1 1 28 LYS HZ1 H -6.197 -4.083 -8.687 1.00 . A A . 28 LYS HZ1 1 1 10 4105 1 1 28 LYS HZ2 H -4.879 -3.880 -7.774 1.00 . A A . 28 LYS HZ2 1 1 10 4106 1 1 28 LYS HZ3 H -4.774 -4.777 -9.166 1.00 . A A . 28 LYS HZ3 1 1 10 4107 1 1 28 LYS N N -2.163 -6.113 -3.785 1.00 . A A . 28 LYS N 1 1 10 4108 1 1 28 LYS NZ N -5.360 -4.550 -8.378 1.00 . A A . 28 LYS NZ 1 1 10 4109 1 1 28 LYS O O -0.447 -8.628 -5.141 1.00 . A A . 28 LYS O 1 1 10 4110 1 1 29 THR C C -1.196 -10.621 -1.566 1.00 . A A . 29 THR C 1 1 10 4111 1 1 29 THR CA C -0.448 -9.792 -2.612 1.00 . A A . 29 THR CA 1 1 10 4112 1 1 29 THR CB C 0.851 -9.135 -2.087 1.00 . A A . 29 THR CB 1 1 10 4113 1 1 29 THR CG2 C 1.949 -10.172 -1.832 1.00 . A A . 29 THR CG2 1 1 10 4114 1 1 29 THR H H -2.116 -8.459 -2.502 1.00 . A A . 29 THR H 1 1 10 4115 1 1 29 THR HA H -0.183 -10.469 -3.426 1.00 . A A . 29 THR HA 1 1 10 4116 1 1 29 THR HB H 0.640 -8.608 -1.154 1.00 . A A . 29 THR HB 1 1 10 4117 1 1 29 THR HG1 H 0.955 -8.375 -3.879 1.00 . A A . 29 THR HG1 1 1 10 4118 1 1 29 THR HG21 H 2.188 -10.700 -2.757 1.00 . A A . 29 THR HG21 1 1 10 4119 1 1 29 THR HG22 H 2.845 -9.669 -1.470 1.00 . A A . 29 THR HG22 1 1 10 4120 1 1 29 THR HG23 H 1.634 -10.896 -1.081 1.00 . A A . 29 THR HG23 1 1 10 4121 1 1 29 THR N N -1.375 -8.782 -3.113 1.00 . A A . 29 THR N 1 1 10 4122 1 1 29 THR O O -0.790 -10.715 -0.412 1.00 . A A . 29 THR O 1 1 10 4123 1 1 29 THR OG1 O 1.377 -8.208 -3.025 1.00 . A A . 29 THR OG1 1 1 10 4124 1 1 30 THR C C -2.786 -13.483 -1.341 1.00 . A A . 30 THR C 1 1 10 4125 1 1 30 THR CA C -3.196 -12.019 -1.166 1.00 . A A . 30 THR CA 1 1 10 4126 1 1 30 THR CB C -4.634 -11.774 -1.642 1.00 . A A . 30 THR CB 1 1 10 4127 1 1 30 THR CG2 C -5.128 -10.400 -1.179 1.00 . A A . 30 THR CG2 1 1 10 4128 1 1 30 THR H H -2.649 -11.046 -2.931 1.00 . A A . 30 THR H 1 1 10 4129 1 1 30 THR HA H -3.112 -11.758 -0.110 1.00 . A A . 30 THR HA 1 1 10 4130 1 1 30 THR HB H -5.294 -12.544 -1.236 1.00 . A A . 30 THR HB 1 1 10 4131 1 1 30 THR HG1 H -5.551 -11.637 -3.361 1.00 . A A . 30 THR HG1 1 1 10 4132 1 1 30 THR HG21 H -6.157 -10.246 -1.507 1.00 . A A . 30 THR HG21 1 1 10 4133 1 1 30 THR HG22 H -5.097 -10.345 -0.090 1.00 . A A . 30 THR HG22 1 1 10 4134 1 1 30 THR HG23 H -4.502 -9.608 -1.592 1.00 . A A . 30 THR HG23 1 1 10 4135 1 1 30 THR N N -2.328 -11.191 -1.983 1.00 . A A . 30 THR N 1 1 10 4136 1 1 30 THR O O -2.278 -14.117 -0.422 1.00 . A A . 30 THR O 1 1 10 4137 1 1 30 THR OG1 O -4.653 -11.805 -3.062 1.00 . A A . 30 THR OG1 1 1 10 4138 1 1 31 NH2 HN1 H -3.478 -13.445 -3.231 1.00 . A A . 31 NH2 HN1 1 1 10 4139 1 1 31 NH2 HN2 H -2.758 -14.978 -2.721 1.00 . A A . 31 NH2 HN2 1 1 10 4140 1 1 31 NH2 N N -3.010 -14.019 -2.540 1.00 . A A . 31 NH2 N 1 1 11 4141 1 1 1 PCA C C -0.101 8.362 9.169 1.00 . A A . 1 PCA C 1 1 11 4142 1 1 1 PCA CA C 0.491 8.648 10.552 1.00 . A A . 1 PCA CA 1 1 11 4143 1 1 1 PCA CB C 2.026 8.549 10.536 1.00 . A A . 1 PCA CB 1 1 11 4144 1 1 1 PCA CD C 1.012 6.695 11.666 1.00 . A A . 1 PCA CD 1 1 11 4145 1 1 1 PCA CG C 2.255 7.077 10.880 1.00 . A A . 1 PCA CG 1 1 11 4146 1 1 1 PCA HA H 0.177 9.640 10.879 1.00 . A A . 1 PCA HA 1 1 11 4147 1 1 1 PCA HB2 H 2.427 9.167 11.341 1.00 . A A . 1 PCA HB2 1 1 11 4148 1 1 1 PCA HB3 H 2.485 8.834 9.588 1.00 . A A . 1 PCA HB3 1 1 11 4149 1 1 1 PCA HG2 H 2.302 6.478 9.971 1.00 . A A . 1 PCA HG2 1 1 11 4150 1 1 1 PCA HG3 H 3.162 6.945 11.470 1.00 . A A . 1 PCA HG3 1 1 11 4151 1 1 1 PCA N N 0.078 7.632 11.508 1.00 . A A . 1 PCA N 1 1 11 4152 1 1 1 PCA O O 0.405 8.875 8.171 1.00 . A A . 1 PCA O 1 1 11 4153 1 1 1 PCA OE O 0.974 5.723 12.399 1.00 . A A . 1 PCA OE 1 1 11 4154 1 1 2 THR C C -0.819 5.597 7.766 1.00 . A A . 2 THR C 1 1 11 4155 1 1 2 THR CA C -1.661 6.866 7.928 1.00 . A A . 2 THR CA 1 1 11 4156 1 1 2 THR CB C -1.657 7.746 6.661 1.00 . A A . 2 THR CB 1 1 11 4157 1 1 2 THR CG2 C -2.690 7.251 5.654 1.00 . A A . 2 THR CG2 1 1 11 4158 1 1 2 THR H H -1.537 7.189 9.974 1.00 . A A . 2 THR H 1 1 11 4159 1 1 2 THR HA H -2.691 6.584 8.149 1.00 . A A . 2 THR HA 1 1 11 4160 1 1 2 THR HB H -0.670 7.717 6.195 1.00 . A A . 2 THR HB 1 1 11 4161 1 1 2 THR HG1 H -1.206 9.457 7.400 1.00 . A A . 2 THR HG1 1 1 11 4162 1 1 2 THR HG21 H -2.655 7.888 4.770 1.00 . A A . 2 THR HG21 1 1 11 4163 1 1 2 THR HG22 H -2.465 6.227 5.361 1.00 . A A . 2 THR HG22 1 1 11 4164 1 1 2 THR HG23 H -3.687 7.300 6.091 1.00 . A A . 2 THR HG23 1 1 11 4165 1 1 2 THR N N -1.172 7.559 9.111 1.00 . A A . 2 THR N 1 1 11 4166 1 1 2 THR O O 0.374 5.609 8.066 1.00 . A A . 2 THR O 1 1 11 4167 1 1 2 THR OG1 O -1.985 9.085 6.966 1.00 . A A . 2 THR OG1 1 1 11 4168 1 1 3 GLN C C 0.471 3.544 6.085 1.00 . A A . 3 GLN C 1 1 11 4169 1 1 3 GLN CA C -0.690 3.263 7.037 1.00 . A A . 3 GLN CA 1 1 11 4170 1 1 3 GLN CB C -1.584 2.223 6.357 1.00 . A A . 3 GLN CB 1 1 11 4171 1 1 3 GLN CD C -3.351 0.475 6.674 1.00 . A A . 3 GLN CD 1 1 11 4172 1 1 3 GLN CG C -2.664 1.644 7.269 1.00 . A A . 3 GLN CG 1 1 11 4173 1 1 3 GLN H H -2.425 4.535 7.143 1.00 . A A . 3 GLN H 1 1 11 4174 1 1 3 GLN HA H -0.292 2.851 7.964 1.00 . A A . 3 GLN HA 1 1 11 4175 1 1 3 GLN HB3 H -0.940 1.400 6.039 1.00 . A A . 3 GLN HB3 1 1 11 4176 1 1 3 GLN HE21 H -4.523 0.499 8.340 1.00 . A A . 3 GLN HE21 1 1 11 4177 1 1 3 GLN HE22 H -4.573 -0.879 7.301 1.00 . A A . 3 GLN HE22 1 1 11 4178 1 1 3 GLN HG3 H -3.488 2.309 7.492 1.00 . A A . 3 GLN HG3 1 1 11 4179 1 1 3 GLN N N -1.431 4.493 7.324 1.00 . A A . 3 GLN N 1 1 11 4180 1 1 3 GLN NE2 N -4.287 0.030 7.479 1.00 . A A . 3 GLN NE2 1 1 11 4181 1 1 3 GLN O O 1.552 2.979 6.212 1.00 . A A . 3 GLN O 1 1 11 4182 1 1 3 GLN OE1 O -3.033 -0.039 5.601 1.00 . A A . 3 GLN OE1 1 1 11 4183 1 1 4 CYS C C 0.745 6.160 3.598 1.00 . A A . 4 CYS C 1 1 11 4184 1 1 4 CYS CA C 1.097 4.753 4.025 1.00 . A A . 4 CYS CA 1 1 11 4185 1 1 4 CYS CB C 0.909 3.826 2.829 1.00 . A A . 4 CYS CB 1 1 11 4186 1 1 4 CYS H H -0.711 4.830 5.054 1.00 . A A . 4 CYS H 1 1 11 4187 1 1 4 CYS HA H 2.131 4.718 4.374 1.00 . A A . 4 CYS HA 1 1 11 4188 1 1 4 CYS HB3 H 1.231 2.831 3.103 1.00 . A A . 4 CYS HB3 1 1 11 4189 1 1 4 CYS N N 0.194 4.383 5.089 1.00 . A A . 4 CYS N 1 1 11 4190 1 1 4 CYS O O -0.376 6.617 3.820 1.00 . A A . 4 CYS O 1 1 11 4191 1 1 4 CYS SG S -0.771 3.775 2.151 1.00 . A A . 4 CYS SG 1 1 11 4192 1 1 5 GLN C C 1.892 8.073 0.860 1.00 . A A . 5 GLN C 1 1 11 4193 1 1 5 GLN CA C 1.542 8.127 2.355 1.00 . A A . 5 GLN CA 1 1 11 4194 1 1 5 GLN CB C 2.367 9.158 3.135 1.00 . A A . 5 GLN CB 1 1 11 4195 1 1 5 GLN CD C 2.612 10.285 5.425 1.00 . A A . 5 GLN CD 1 1 11 4196 1 1 5 GLN CG C 1.914 9.201 4.608 1.00 . A A . 5 GLN CG 1 1 11 4197 1 1 5 GLN H H 2.614 6.363 2.873 1.00 . A A . 5 GLN H 1 1 11 4198 1 1 5 GLN HA H 0.497 8.437 2.406 1.00 . A A . 5 GLN HA 1 1 11 4199 1 1 5 GLN HB3 H 2.223 10.141 2.685 1.00 . A A . 5 GLN HB3 1 1 11 4200 1 1 5 GLN HE21 H 1.609 9.746 7.136 1.00 . A A . 5 GLN HE21 1 1 11 4201 1 1 5 GLN HE22 H 2.743 11.083 7.269 1.00 . A A . 5 GLN HE22 1 1 11 4202 1 1 5 GLN HG3 H 2.128 8.246 5.089 1.00 . A A . 5 GLN HG3 1 1 11 4203 1 1 5 GLN N N 1.705 6.824 2.971 1.00 . A A . 5 GLN N 1 1 11 4204 1 1 5 GLN NE2 N 2.293 10.375 6.714 1.00 . A A . 5 GLN NE2 1 1 11 4205 1 1 5 GLN O O 1.693 9.061 0.155 1.00 . A A . 5 GLN O 1 1 11 4206 1 1 5 GLN OE1 O 3.430 11.041 4.913 1.00 . A A . 5 GLN OE1 1 1 11 4207 1 1 6 SER C C 2.823 5.245 -1.311 1.00 . A A . 6 SER C 1 1 11 4208 1 1 6 SER CA C 2.697 6.746 -1.065 1.00 . A A . 6 SER CA 1 1 11 4209 1 1 6 SER CB C 4.025 7.439 -1.398 1.00 . A A . 6 SER CB 1 1 11 4210 1 1 6 SER H H 2.662 6.165 0.957 1.00 . A A . 6 SER H 1 1 11 4211 1 1 6 SER HA H 1.894 7.143 -1.690 1.00 . A A . 6 SER HA 1 1 11 4212 1 1 6 SER HB3 H 4.417 7.059 -2.342 1.00 . A A . 6 SER HB3 1 1 11 4213 1 1 6 SER HG H 3.172 9.127 -0.916 1.00 . A A . 6 SER HG 1 1 11 4214 1 1 6 SER N N 2.390 6.942 0.343 1.00 . A A . 6 SER N 1 1 11 4215 1 1 6 SER O O 3.140 4.498 -0.395 1.00 . A A . 6 SER O 1 1 11 4216 1 1 6 SER OG O 3.859 8.835 -1.533 1.00 . A A . 6 SER OG 1 1 11 4217 1 1 7 VAL C C 4.191 2.847 -2.454 1.00 . A A . 7 VAL C 1 1 11 4218 1 1 7 VAL CA C 2.813 3.380 -2.896 1.00 . A A . 7 VAL CA 1 1 11 4219 1 1 7 VAL CB C 2.544 3.259 -4.402 1.00 . A A . 7 VAL CB 1 1 11 4220 1 1 7 VAL CG1 C 3.589 3.972 -5.273 1.00 . A A . 7 VAL CG1 1 1 11 4221 1 1 7 VAL CG2 C 2.434 1.794 -4.798 1.00 . A A . 7 VAL CG2 1 1 11 4222 1 1 7 VAL H H 2.322 5.369 -3.297 1.00 . A A . 7 VAL H 1 1 11 4223 1 1 7 VAL HA H 2.053 2.810 -2.355 1.00 . A A . 7 VAL HA 1 1 11 4224 1 1 7 VAL HB H 1.574 3.713 -4.608 1.00 . A A . 7 VAL HB 1 1 11 4225 1 1 7 VAL HG11 H 4.570 3.515 -5.151 1.00 . A A . 7 VAL HG11 1 1 11 4226 1 1 7 VAL HG12 H 3.299 3.892 -6.321 1.00 . A A . 7 VAL HG12 1 1 11 4227 1 1 7 VAL HG13 H 3.652 5.028 -5.012 1.00 . A A . 7 VAL HG13 1 1 11 4228 1 1 7 VAL HG21 H 2.128 1.730 -5.838 1.00 . A A . 7 VAL HG21 1 1 11 4229 1 1 7 VAL HG22 H 3.395 1.306 -4.661 1.00 . A A . 7 VAL HG22 1 1 11 4230 1 1 7 VAL HG23 H 1.682 1.327 -4.163 1.00 . A A . 7 VAL HG23 1 1 11 4231 1 1 7 VAL N N 2.631 4.777 -2.544 1.00 . A A . 7 VAL N 1 1 11 4232 1 1 7 VAL O O 4.333 1.668 -2.141 1.00 . A A . 7 VAL O 1 1 11 4233 1 1 8 ARG C C 6.377 2.708 -0.466 1.00 . A A . 8 ARG C 1 1 11 4234 1 1 8 ARG CA C 6.500 3.501 -1.773 1.00 . A A . 8 ARG CA 1 1 11 4235 1 1 8 ARG CB C 7.156 4.857 -1.471 1.00 . A A . 8 ARG CB 1 1 11 4236 1 1 8 ARG CD C 7.953 7.073 -2.312 1.00 . A A . 8 ARG CD 1 1 11 4237 1 1 8 ARG CG C 7.475 5.676 -2.729 1.00 . A A . 8 ARG CG 1 1 11 4238 1 1 8 ARG CZ C 8.508 9.228 -3.439 1.00 . A A . 8 ARG CZ 1 1 11 4239 1 1 8 ARG H H 4.991 4.655 -2.721 1.00 . A A . 8 ARG H 1 1 11 4240 1 1 8 ARG HA H 7.147 2.940 -2.446 1.00 . A A . 8 ARG HA 1 1 11 4241 1 1 8 ARG HB3 H 8.088 4.676 -0.930 1.00 . A A . 8 ARG HB3 1 1 11 4242 1 1 8 ARG HD3 H 8.846 6.969 -1.690 1.00 . A A . 8 ARG HD3 1 1 11 4243 1 1 8 ARG HE H 8.301 7.431 -4.373 1.00 . A A . 8 ARG HE 1 1 11 4244 1 1 8 ARG HG3 H 6.589 5.779 -3.356 1.00 . A A . 8 ARG HG3 1 1 11 4245 1 1 8 ARG HH11 H 8.291 9.355 -1.421 1.00 . A A . 8 ARG HH11 1 1 11 4246 1 1 8 ARG HH12 H 8.650 10.865 -2.195 1.00 . A A . 8 ARG HH12 1 1 11 4247 1 1 8 ARG HH21 H 8.790 9.422 -5.456 1.00 . A A . 8 ARG HH21 1 1 11 4248 1 1 8 ARG HH22 H 8.955 10.891 -4.553 1.00 . A A . 8 ARG HH22 1 1 11 4249 1 1 8 ARG N N 5.201 3.723 -2.408 1.00 . A A . 8 ARG N 1 1 11 4250 1 1 8 ARG NE N 8.265 7.907 -3.484 1.00 . A A . 8 ARG NE 1 1 11 4251 1 1 8 ARG NH1 N 8.487 9.872 -2.265 1.00 . A A . 8 ARG NH1 1 1 11 4252 1 1 8 ARG NH2 N 8.772 9.898 -4.565 1.00 . A A . 8 ARG NH2 1 1 11 4253 1 1 8 ARG O O 7.040 1.688 -0.292 1.00 . A A . 8 ARG O 1 1 11 4254 1 1 9 ASP C C 4.869 1.159 1.583 1.00 . A A . 9 ASP C 1 1 11 4255 1 1 9 ASP CA C 5.306 2.610 1.754 1.00 . A A . 9 ASP CA 1 1 11 4256 1 1 9 ASP CB C 4.199 3.448 2.397 1.00 . A A . 9 ASP CB 1 1 11 4257 1 1 9 ASP CG C 4.635 4.862 2.730 1.00 . A A . 9 ASP CG 1 1 11 4258 1 1 9 ASP H H 4.913 3.961 0.223 1.00 . A A . 9 ASP H 1 1 11 4259 1 1 9 ASP HA H 6.215 2.656 2.357 1.00 . A A . 9 ASP HA 1 1 11 4260 1 1 9 ASP HB3 H 3.743 2.991 3.261 1.00 . A A . 9 ASP HB3 1 1 11 4261 1 1 9 ASP N N 5.528 3.185 0.444 1.00 . A A . 9 ASP N 1 1 11 4262 1 1 9 ASP O O 5.515 0.224 2.072 1.00 . A A . 9 ASP O 1 1 11 4263 1 1 9 ASP OD1 O 5.561 5.014 3.549 1.00 . A A . 9 ASP OD1 1 1 11 4264 1 1 9 ASP OD2 O 4.005 5.773 2.150 1.00 . A A . 9 ASP OD2 1 1 11 4265 1 1 10 CYS C C 4.368 -1.266 -0.024 1.00 . A A . 10 CYS C 1 1 11 4266 1 1 10 CYS CA C 3.307 -0.403 0.642 1.00 . A A . 10 CYS CA 1 1 11 4267 1 1 10 CYS CB C 1.975 -0.565 -0.099 1.00 . A A . 10 CYS CB 1 1 11 4268 1 1 10 CYS H H 3.315 1.739 0.396 1.00 . A A . 10 CYS H 1 1 11 4269 1 1 10 CYS HA H 3.175 -0.817 1.634 1.00 . A A . 10 CYS HA 1 1 11 4270 1 1 10 CYS HB3 H 2.267 -0.884 -1.056 1.00 . A A . 10 CYS HB3 1 1 11 4271 1 1 10 CYS N N 3.777 0.957 0.835 1.00 . A A . 10 CYS N 1 1 11 4272 1 1 10 CYS O O 4.434 -2.446 0.275 1.00 . A A . 10 CYS O 1 1 11 4273 1 1 10 CYS SG S 0.902 -1.836 0.628 1.00 . A A . 10 CYS SG 1 1 11 4274 1 1 11 GLN C C 7.207 -2.108 -0.608 1.00 . A A . 11 GLN C 1 1 11 4275 1 1 11 GLN CA C 6.200 -1.527 -1.611 1.00 . A A . 11 GLN CA 1 1 11 4276 1 1 11 GLN CB C 6.889 -0.727 -2.722 1.00 . A A . 11 GLN CB 1 1 11 4277 1 1 11 GLN CD C 6.536 0.307 -5.001 1.00 . A A . 11 GLN CD 1 1 11 4278 1 1 11 GLN CG C 5.975 -0.638 -3.950 1.00 . A A . 11 GLN CG 1 1 11 4279 1 1 11 GLN H H 5.080 0.256 -1.185 1.00 . A A . 11 GLN H 1 1 11 4280 1 1 11 GLN HA H 5.699 -2.368 -2.095 1.00 . A A . 11 GLN HA 1 1 11 4281 1 1 11 GLN HB3 H 7.804 -1.241 -3.023 1.00 . A A . 11 GLN HB3 1 1 11 4282 1 1 11 GLN HE21 H 6.054 1.903 -3.861 1.00 . A A . 11 GLN HE21 1 1 11 4283 1 1 11 GLN HE22 H 6.835 2.259 -5.406 1.00 . A A . 11 GLN HE22 1 1 11 4284 1 1 11 GLN HG3 H 4.992 -0.278 -3.652 1.00 . A A . 11 GLN HG3 1 1 11 4285 1 1 11 GLN N N 5.180 -0.723 -0.938 1.00 . A A . 11 GLN N 1 1 11 4286 1 1 11 GLN NE2 N 6.466 1.606 -4.732 1.00 . A A . 11 GLN NE2 1 1 11 4287 1 1 11 GLN O O 7.843 -3.116 -0.902 1.00 . A A . 11 GLN O 1 1 11 4288 1 1 11 GLN OE1 O 7.018 -0.114 -6.046 1.00 . A A . 11 GLN OE1 1 1 11 4289 1 1 12 GLN C C 7.262 -3.202 2.340 1.00 . A A . 12 GLN C 1 1 11 4290 1 1 12 GLN CA C 8.106 -2.120 1.659 1.00 . A A . 12 GLN CA 1 1 11 4291 1 1 12 GLN CB C 8.589 -1.060 2.657 1.00 . A A . 12 GLN CB 1 1 11 4292 1 1 12 GLN CD C 10.169 0.904 2.946 1.00 . A A . 12 GLN CD 1 1 11 4293 1 1 12 GLN CG C 9.457 -0.007 1.953 1.00 . A A . 12 GLN CG 1 1 11 4294 1 1 12 GLN H H 6.815 -0.665 0.785 1.00 . A A . 12 GLN H 1 1 11 4295 1 1 12 GLN HA H 8.995 -2.605 1.250 1.00 . A A . 12 GLN HA 1 1 11 4296 1 1 12 GLN HB3 H 9.180 -1.567 3.422 1.00 . A A . 12 GLN HB3 1 1 11 4297 1 1 12 GLN HE21 H 11.327 -0.627 3.631 1.00 . A A . 12 GLN HE21 1 1 11 4298 1 1 12 GLN HE22 H 11.593 0.945 4.371 1.00 . A A . 12 GLN HE22 1 1 11 4299 1 1 12 GLN HG3 H 8.830 0.608 1.308 1.00 . A A . 12 GLN HG3 1 1 11 4300 1 1 12 GLN N N 7.351 -1.501 0.577 1.00 . A A . 12 GLN N 1 1 11 4301 1 1 12 GLN NE2 N 11.110 0.355 3.709 1.00 . A A . 12 GLN NE2 1 1 11 4302 1 1 12 GLN O O 7.760 -4.288 2.622 1.00 . A A . 12 GLN O 1 1 11 4303 1 1 12 GLN OE1 O 9.895 2.096 3.020 1.00 . A A . 12 GLN OE1 1 1 11 4304 1 1 13 TYR C C 4.652 -5.051 2.520 1.00 . A A . 13 TYR C 1 1 11 4305 1 1 13 TYR CA C 5.112 -3.832 3.344 1.00 . A A . 13 TYR CA 1 1 11 4306 1 1 13 TYR CB C 3.902 -3.069 3.903 1.00 . A A . 13 TYR CB 1 1 11 4307 1 1 13 TYR CD1 C 4.894 -2.319 6.109 1.00 . A A . 13 TYR CD1 1 1 11 4308 1 1 13 TYR CD2 C 3.827 -0.651 4.698 1.00 . A A . 13 TYR CD2 1 1 11 4309 1 1 13 TYR CE1 C 5.172 -1.331 7.068 1.00 . A A . 13 TYR CE1 1 1 11 4310 1 1 13 TYR CE2 C 4.103 0.337 5.659 1.00 . A A . 13 TYR CE2 1 1 11 4311 1 1 13 TYR CG C 4.238 -1.982 4.909 1.00 . A A . 13 TYR CG 1 1 11 4312 1 1 13 TYR CZ C 4.781 -0.002 6.841 1.00 . A A . 13 TYR CZ 1 1 11 4313 1 1 13 TYR H H 5.629 -2.000 2.345 1.00 . A A . 13 TYR H 1 1 11 4314 1 1 13 TYR HA H 5.672 -4.236 4.190 1.00 . A A . 13 TYR HA 1 1 11 4315 1 1 13 TYR HB3 H 3.247 -3.784 4.404 1.00 . A A . 13 TYR HB3 1 1 11 4316 1 1 13 TYR HD1 H 5.170 -3.345 6.309 1.00 . A A . 13 TYR HD1 1 1 11 4317 1 1 13 TYR HD2 H 3.277 -0.375 3.814 1.00 . A A . 13 TYR HD2 1 1 11 4318 1 1 13 TYR HE1 H 5.675 -1.606 7.983 1.00 . A A . 13 TYR HE1 1 1 11 4319 1 1 13 TYR HE2 H 3.778 1.356 5.499 1.00 . A A . 13 TYR HE2 1 1 11 4320 1 1 13 TYR HH H 5.491 0.620 8.549 1.00 . A A . 13 TYR HH 1 1 11 4321 1 1 13 TYR N N 5.987 -2.909 2.620 1.00 . A A . 13 TYR N 1 1 11 4322 1 1 13 TYR O O 4.219 -6.045 3.098 1.00 . A A . 13 TYR O 1 1 11 4323 1 1 13 TYR OH O 5.032 0.956 7.778 1.00 . A A . 13 TYR OH 1 1 11 4324 1 1 14 CYS C C 4.938 -5.958 -1.007 1.00 . A A . 14 CYS C 1 1 11 4325 1 1 14 CYS CA C 4.098 -5.930 0.260 1.00 . A A . 14 CYS CA 1 1 11 4326 1 1 14 CYS CB C 2.675 -5.488 -0.116 1.00 . A A . 14 CYS CB 1 1 11 4327 1 1 14 CYS H H 5.100 -4.148 0.772 1.00 . A A . 14 CYS H 1 1 11 4328 1 1 14 CYS HA H 4.067 -6.928 0.700 1.00 . A A . 14 CYS HA 1 1 11 4329 1 1 14 CYS HB3 H 2.366 -5.946 -1.060 1.00 . A A . 14 CYS HB3 1 1 11 4330 1 1 14 CYS N N 4.700 -4.978 1.188 1.00 . A A . 14 CYS N 1 1 11 4331 1 1 14 CYS O O 5.357 -4.911 -1.487 1.00 . A A . 14 CYS O 1 1 11 4332 1 1 14 CYS SG S 1.403 -5.901 1.105 1.00 . A A . 14 CYS SG 1 1 11 4333 1 1 15 LEU C C 5.138 -6.580 -3.960 1.00 . A A . 15 LEU C 1 1 11 4334 1 1 15 LEU CA C 5.886 -7.291 -2.826 1.00 . A A . 15 LEU CA 1 1 11 4335 1 1 15 LEU CB C 6.117 -8.786 -3.114 1.00 . A A . 15 LEU CB 1 1 11 4336 1 1 15 LEU CD1 C 7.463 -8.399 -5.274 1.00 . A A . 15 LEU CD1 1 1 11 4337 1 1 15 LEU CD2 C 8.666 -8.885 -3.128 1.00 . A A . 15 LEU CD2 1 1 11 4338 1 1 15 LEU CG C 7.380 -9.126 -3.930 1.00 . A A . 15 LEU CG 1 1 11 4339 1 1 15 LEU H H 4.790 -7.977 -1.127 1.00 . A A . 15 LEU H 1 1 11 4340 1 1 15 LEU HA H 6.848 -6.797 -2.684 1.00 . A A . 15 LEU HA 1 1 11 4341 1 1 15 LEU HB3 H 5.246 -9.190 -3.629 1.00 . A A . 15 LEU HB3 1 1 11 4342 1 1 15 LEU HD11 H 6.521 -8.498 -5.817 1.00 . A A . 15 LEU HD11 1 1 11 4343 1 1 15 LEU HD12 H 7.693 -7.345 -5.125 1.00 . A A . 15 LEU HD12 1 1 11 4344 1 1 15 LEU HD13 H 8.260 -8.840 -5.875 1.00 . A A . 15 LEU HD13 1 1 11 4345 1 1 15 LEU HD21 H 8.819 -7.824 -2.938 1.00 . A A . 15 LEU HD21 1 1 11 4346 1 1 15 LEU HD22 H 8.618 -9.415 -2.176 1.00 . A A . 15 LEU HD22 1 1 11 4347 1 1 15 LEU HD23 H 9.521 -9.263 -3.692 1.00 . A A . 15 LEU HD23 1 1 11 4348 1 1 15 LEU HG H 7.334 -10.196 -4.143 1.00 . A A . 15 LEU HG 1 1 11 4349 1 1 15 LEU N N 5.141 -7.147 -1.581 1.00 . A A . 15 LEU N 1 1 11 4350 1 1 15 LEU O O 5.734 -5.816 -4.713 1.00 . A A . 15 LEU O 1 1 11 4351 1 1 16 THR C C 1.756 -5.535 -4.545 1.00 . A A . 16 THR C 1 1 11 4352 1 1 16 THR CA C 2.987 -6.244 -5.128 1.00 . A A . 16 THR CA 1 1 11 4353 1 1 16 THR CB C 2.591 -7.328 -6.141 1.00 . A A . 16 THR CB 1 1 11 4354 1 1 16 THR CG2 C 1.963 -6.695 -7.385 1.00 . A A . 16 THR CG2 1 1 11 4355 1 1 16 THR H H 3.389 -7.439 -3.407 1.00 . A A . 16 THR H 1 1 11 4356 1 1 16 THR HA H 3.551 -5.492 -5.683 1.00 . A A . 16 THR HA 1 1 11 4357 1 1 16 THR HB H 1.882 -8.025 -5.689 1.00 . A A . 16 THR HB 1 1 11 4358 1 1 16 THR HG1 H 4.192 -8.378 -5.782 1.00 . A A . 16 THR HG1 1 1 11 4359 1 1 16 THR HG21 H 1.081 -6.116 -7.110 1.00 . A A . 16 THR HG21 1 1 11 4360 1 1 16 THR HG22 H 2.685 -6.033 -7.863 1.00 . A A . 16 THR HG22 1 1 11 4361 1 1 16 THR HG23 H 1.675 -7.478 -8.086 1.00 . A A . 16 THR HG23 1 1 11 4362 1 1 16 THR N N 3.825 -6.827 -4.078 1.00 . A A . 16 THR N 1 1 11 4363 1 1 16 THR O O 0.650 -6.086 -4.544 1.00 . A A . 16 THR O 1 1 11 4364 1 1 16 THR OG1 O 3.734 -8.047 -6.558 1.00 . A A . 16 THR OG1 1 1 11 4365 1 1 17 PRO C C -0.184 -3.193 -4.697 1.00 . A A . 17 PRO C 1 1 11 4366 1 1 17 PRO CA C 0.813 -3.512 -3.586 1.00 . A A . 17 PRO CA 1 1 11 4367 1 1 17 PRO CB C 1.401 -2.295 -2.872 1.00 . A A . 17 PRO CB 1 1 11 4368 1 1 17 PRO CD C 3.098 -3.802 -3.393 1.00 . A A . 17 PRO CD 1 1 11 4369 1 1 17 PRO CG C 2.897 -2.348 -3.102 1.00 . A A . 17 PRO CG 1 1 11 4370 1 1 17 PRO HA H 0.374 -4.120 -2.806 1.00 . A A . 17 PRO HA 1 1 11 4371 1 1 17 PRO HB3 H 1.136 -2.373 -1.829 1.00 . A A . 17 PRO HB3 1 1 11 4372 1 1 17 PRO HD3 H 3.031 -4.176 -2.401 1.00 . A A . 17 PRO HD3 1 1 11 4373 1 1 17 PRO HG3 H 3.476 -2.089 -2.234 1.00 . A A . 17 PRO HG3 1 1 11 4374 1 1 17 PRO N N 1.918 -4.301 -4.046 1.00 . A A . 17 PRO N 1 1 11 4375 1 1 17 PRO O O 0.167 -3.123 -5.873 1.00 . A A . 17 PRO O 1 1 11 4376 1 1 18 ASP C C -2.395 -1.062 -5.232 1.00 . A A . 18 ASP C 1 1 11 4377 1 1 18 ASP CA C -2.528 -2.572 -5.137 1.00 . A A . 18 ASP CA 1 1 11 4378 1 1 18 ASP CB C -3.875 -2.991 -4.520 1.00 . A A . 18 ASP CB 1 1 11 4379 1 1 18 ASP CG C -5.043 -2.841 -5.484 1.00 . A A . 18 ASP CG 1 1 11 4380 1 1 18 ASP H H -1.612 -3.020 -3.308 1.00 . A A . 18 ASP H 1 1 11 4381 1 1 18 ASP HA H -2.415 -3.005 -6.127 1.00 . A A . 18 ASP HA 1 1 11 4382 1 1 18 ASP HB3 H -4.079 -2.384 -3.646 1.00 . A A . 18 ASP HB3 1 1 11 4383 1 1 18 ASP N N -1.443 -3.030 -4.301 1.00 . A A . 18 ASP N 1 1 11 4384 1 1 18 ASP O O -2.269 -0.511 -6.323 1.00 . A A . 18 ASP O 1 1 11 4385 1 1 18 ASP OD1 O -4.839 -3.149 -6.677 1.00 . A A . 18 ASP OD1 1 1 11 4386 1 1 18 ASP OD2 O -6.132 -2.423 -5.025 1.00 . A A . 18 ASP OD2 1 1 11 4387 1 1 19 ARG C C -2.014 1.406 -2.528 1.00 . A A . 19 ARG C 1 1 11 4388 1 1 19 ARG CA C -2.353 1.041 -3.968 1.00 . A A . 19 ARG CA 1 1 11 4389 1 1 19 ARG CB C -3.704 1.687 -4.330 1.00 . A A . 19 ARG CB 1 1 11 4390 1 1 19 ARG CD C -6.253 1.220 -4.739 1.00 . A A . 19 ARG CD 1 1 11 4391 1 1 19 ARG CG C -4.902 0.759 -4.181 1.00 . A A . 19 ARG CG 1 1 11 4392 1 1 19 ARG CZ C -8.114 -0.202 -5.661 1.00 . A A . 19 ARG CZ 1 1 11 4393 1 1 19 ARG H H -2.646 -0.888 -3.202 1.00 . A A . 19 ARG H 1 1 11 4394 1 1 19 ARG HA H -1.570 1.420 -4.628 1.00 . A A . 19 ARG HA 1 1 11 4395 1 1 19 ARG HB3 H -3.669 2.124 -5.329 1.00 . A A . 19 ARG HB3 1 1 11 4396 1 1 19 ARG HD3 H -6.091 1.639 -5.734 1.00 . A A . 19 ARG HD3 1 1 11 4397 1 1 19 ARG HE H -6.629 -0.842 -4.516 1.00 . A A . 19 ARG HE 1 1 11 4398 1 1 19 ARG HG3 H -4.956 0.451 -3.149 1.00 . A A . 19 ARG HG3 1 1 11 4399 1 1 19 ARG HH11 H -8.579 1.758 -5.867 1.00 . A A . 19 ARG HH11 1 1 11 4400 1 1 19 ARG HH12 H -9.605 0.674 -6.768 1.00 . A A . 19 ARG HH12 1 1 11 4401 1 1 19 ARG HH21 H -7.672 -2.149 -5.678 1.00 . A A . 19 ARG HH21 1 1 11 4402 1 1 19 ARG HH22 H -9.139 -1.755 -6.582 1.00 . A A . 19 ARG HH22 1 1 11 4403 1 1 19 ARG N N -2.428 -0.400 -4.070 1.00 . A A . 19 ARG N 1 1 11 4404 1 1 19 ARG NE N -7.083 0.015 -4.842 1.00 . A A . 19 ARG NE 1 1 11 4405 1 1 19 ARG NH1 N -8.826 0.820 -6.145 1.00 . A A . 19 ARG NH1 1 1 11 4406 1 1 19 ARG NH2 N -8.384 -1.468 -5.982 1.00 . A A . 19 ARG NH2 1 1 11 4407 1 1 19 ARG O O -2.421 0.709 -1.603 1.00 . A A . 19 ARG O 1 1 11 4408 1 1 20 CYS C C -2.902 4.173 -1.465 1.00 . A A . 20 CYS C 1 1 11 4409 1 1 20 CYS CA C -1.647 3.357 -1.155 1.00 . A A . 20 CYS CA 1 1 11 4410 1 1 20 CYS CB C -0.461 4.263 -0.823 1.00 . A A . 20 CYS CB 1 1 11 4411 1 1 20 CYS H H -1.151 3.089 -3.178 1.00 . A A . 20 CYS H 1 1 11 4412 1 1 20 CYS HA H -1.827 2.712 -0.299 1.00 . A A . 20 CYS HA 1 1 11 4413 1 1 20 CYS HB3 H -0.263 4.938 -1.654 1.00 . A A . 20 CYS HB3 1 1 11 4414 1 1 20 CYS N N -1.393 2.570 -2.348 1.00 . A A . 20 CYS N 1 1 11 4415 1 1 20 CYS O O -2.891 4.968 -2.404 1.00 . A A . 20 CYS O 1 1 11 4416 1 1 20 CYS SG S -0.784 5.234 0.665 1.00 . A A . 20 CYS SG 1 1 11 4417 1 1 21 SER C C -6.229 4.360 0.087 1.00 . A A . 21 SER C 1 1 11 4418 1 1 21 SER CA C -5.313 4.484 -1.126 1.00 . A A . 21 SER CA 1 1 11 4419 1 1 21 SER CB C -5.889 3.759 -2.349 1.00 . A A . 21 SER CB 1 1 11 4420 1 1 21 SER H H -4.034 3.202 -0.058 1.00 . A A . 21 SER H 1 1 11 4421 1 1 21 SER HA H -5.194 5.547 -1.344 1.00 . A A . 21 SER HA 1 1 11 4422 1 1 21 SER HB3 H -6.971 3.856 -2.325 1.00 . A A . 21 SER HB3 1 1 11 4423 1 1 21 SER HG H -4.484 4.669 -3.354 1.00 . A A . 21 SER HG 1 1 11 4424 1 1 21 SER N N -4.024 3.902 -0.796 1.00 . A A . 21 SER N 1 1 11 4425 1 1 21 SER O O -6.087 3.415 0.850 1.00 . A A . 21 SER O 1 1 11 4426 1 1 21 SER OG O -5.395 4.385 -3.518 1.00 . A A . 21 SER OG 1 1 11 4427 1 1 22 TYR C C -7.204 5.240 2.766 1.00 . A A . 22 TYR C 1 1 11 4428 1 1 22 TYR CA C -8.020 5.342 1.466 1.00 . A A . 22 TYR CA 1 1 11 4429 1 1 22 TYR CB C -9.096 4.264 1.333 1.00 . A A . 22 TYR CB 1 1 11 4430 1 1 22 TYR CD1 C -11.234 5.361 2.131 1.00 . A A . 22 TYR CD1 1 1 11 4431 1 1 22 TYR CD2 C -10.400 3.419 3.341 1.00 . A A . 22 TYR CD2 1 1 11 4432 1 1 22 TYR CE1 C -12.337 5.429 2.999 1.00 . A A . 22 TYR CE1 1 1 11 4433 1 1 22 TYR CE2 C -11.504 3.487 4.207 1.00 . A A . 22 TYR CE2 1 1 11 4434 1 1 22 TYR CG C -10.258 4.361 2.302 1.00 . A A . 22 TYR CG 1 1 11 4435 1 1 22 TYR CZ C -12.470 4.492 4.039 1.00 . A A . 22 TYR CZ 1 1 11 4436 1 1 22 TYR H H -7.218 6.070 -0.372 1.00 . A A . 22 TYR H 1 1 11 4437 1 1 22 TYR HA H -8.553 6.278 1.471 1.00 . A A . 22 TYR HA 1 1 11 4438 1 1 22 TYR HB3 H -8.587 3.327 1.490 1.00 . A A . 22 TYR HB3 1 1 11 4439 1 1 22 TYR HD1 H -11.144 6.074 1.324 1.00 . A A . 22 TYR HD1 1 1 11 4440 1 1 22 TYR HD2 H -9.657 2.647 3.485 1.00 . A A . 22 TYR HD2 1 1 11 4441 1 1 22 TYR HE1 H -13.080 6.200 2.858 1.00 . A A . 22 TYR HE1 1 1 11 4442 1 1 22 TYR HE2 H -11.607 2.769 5.007 1.00 . A A . 22 TYR HE2 1 1 11 4443 1 1 22 TYR HH H -14.141 5.266 4.681 1.00 . A A . 22 TYR HH 1 1 11 4444 1 1 22 TYR N N -7.142 5.314 0.294 1.00 . A A . 22 TYR N 1 1 11 4445 1 1 22 TYR O O -7.566 4.525 3.697 1.00 . A A . 22 TYR O 1 1 11 4446 1 1 22 TYR OH O -13.541 4.547 4.881 1.00 . A A . 22 TYR OH 1 1 11 4447 1 1 23 GLY C C -4.675 4.476 4.318 1.00 . A A . 23 GLY C 1 1 11 4448 1 1 23 GLY CA C -5.111 5.891 3.913 1.00 . A A . 23 GLY CA 1 1 11 4449 1 1 23 GLY H H -5.816 6.493 2.005 1.00 . A A . 23 GLY H 1 1 11 4450 1 1 23 GLY HA2 H -4.226 6.444 3.604 1.00 . A A . 23 GLY HA2 1 1 11 4451 1 1 23 GLY HA3 H -5.558 6.388 4.775 1.00 . A A . 23 GLY HA3 1 1 11 4452 1 1 23 GLY N N -6.056 5.926 2.802 1.00 . A A . 23 GLY N 1 1 11 4453 1 1 23 GLY O O -4.237 4.261 5.449 1.00 . A A . 23 GLY O 1 1 11 4454 1 1 24 THR C C -3.590 1.645 2.504 1.00 . A A . 24 THR C 1 1 11 4455 1 1 24 THR CA C -4.576 2.103 3.578 1.00 . A A . 24 THR CA 1 1 11 4456 1 1 24 THR CB C -5.927 1.379 3.445 1.00 . A A . 24 THR CB 1 1 11 4457 1 1 24 THR CG2 C -5.827 -0.127 3.700 1.00 . A A . 24 THR CG2 1 1 11 4458 1 1 24 THR H H -5.095 3.785 2.462 1.00 . A A . 24 THR H 1 1 11 4459 1 1 24 THR HA H -4.170 1.924 4.568 1.00 . A A . 24 THR HA 1 1 11 4460 1 1 24 THR HB H -6.318 1.521 2.438 1.00 . A A . 24 THR HB 1 1 11 4461 1 1 24 THR HG1 H -7.011 2.847 4.155 1.00 . A A . 24 THR HG1 1 1 11 4462 1 1 24 THR HG21 H -5.144 -0.596 2.991 1.00 . A A . 24 THR HG21 1 1 11 4463 1 1 24 THR HG22 H -5.479 -0.311 4.716 1.00 . A A . 24 THR HG22 1 1 11 4464 1 1 24 THR HG23 H -6.813 -0.576 3.582 1.00 . A A . 24 THR HG23 1 1 11 4465 1 1 24 THR N N -4.787 3.525 3.388 1.00 . A A . 24 THR N 1 1 11 4466 1 1 24 THR O O -3.707 2.064 1.351 1.00 . A A . 24 THR O 1 1 11 4467 1 1 24 THR OG1 O -6.854 1.916 4.367 1.00 . A A . 24 THR OG1 1 1 11 4468 1 1 25 CYS C C -2.332 -1.135 1.457 1.00 . A A . 25 CYS C 1 1 11 4469 1 1 25 CYS CA C -1.719 0.209 1.875 1.00 . A A . 25 CYS CA 1 1 11 4470 1 1 25 CYS CB C -0.252 0.245 2.343 1.00 . A A . 25 CYS CB 1 1 11 4471 1 1 25 CYS H H -2.595 0.447 3.812 1.00 . A A . 25 CYS H 1 1 11 4472 1 1 25 CYS HA H -1.704 0.832 0.983 1.00 . A A . 25 CYS HA 1 1 11 4473 1 1 25 CYS HB3 H -0.165 0.838 3.251 1.00 . A A . 25 CYS HB3 1 1 11 4474 1 1 25 CYS N N -2.612 0.808 2.862 1.00 . A A . 25 CYS N 1 1 11 4475 1 1 25 CYS O O -2.215 -2.155 2.129 1.00 . A A . 25 CYS O 1 1 11 4476 1 1 25 CYS SG S 0.646 -1.282 2.600 1.00 . A A . 25 CYS SG 1 1 11 4477 1 1 26 TYR C C -2.840 -3.041 -1.022 1.00 . A A . 26 TYR C 1 1 11 4478 1 1 26 TYR CA C -3.823 -2.210 -0.208 1.00 . A A . 26 TYR CA 1 1 11 4479 1 1 26 TYR CB C -4.901 -1.652 -1.143 1.00 . A A . 26 TYR CB 1 1 11 4480 1 1 26 TYR CD1 C -7.038 -1.916 0.177 1.00 . A A . 26 TYR CD1 1 1 11 4481 1 1 26 TYR CD2 C -6.345 0.323 -0.473 1.00 . A A . 26 TYR CD2 1 1 11 4482 1 1 26 TYR CE1 C -8.224 -1.392 0.718 1.00 . A A . 26 TYR CE1 1 1 11 4483 1 1 26 TYR CE2 C -7.575 0.830 -0.021 1.00 . A A . 26 TYR CE2 1 1 11 4484 1 1 26 TYR CG C -6.100 -1.060 -0.430 1.00 . A A . 26 TYR CG 1 1 11 4485 1 1 26 TYR CZ C -8.499 -0.020 0.611 1.00 . A A . 26 TYR CZ 1 1 11 4486 1 1 26 TYR H H -3.097 -0.226 -0.166 1.00 . A A . 26 TYR H 1 1 11 4487 1 1 26 TYR HA H -4.272 -2.823 0.575 1.00 . A A . 26 TYR HA 1 1 11 4488 1 1 26 TYR HB3 H -5.284 -2.458 -1.767 1.00 . A A . 26 TYR HB3 1 1 11 4489 1 1 26 TYR HD1 H -6.861 -2.980 0.212 1.00 . A A . 26 TYR HD1 1 1 11 4490 1 1 26 TYR HD2 H -5.599 0.990 -0.872 1.00 . A A . 26 TYR HD2 1 1 11 4491 1 1 26 TYR HE1 H -8.943 -2.047 1.188 1.00 . A A . 26 TYR HE1 1 1 11 4492 1 1 26 TYR HE2 H -7.802 1.874 -0.151 1.00 . A A . 26 TYR HE2 1 1 11 4493 1 1 26 TYR HH H -9.735 1.433 1.038 1.00 . A A . 26 TYR HH 1 1 11 4494 1 1 26 TYR N N -3.109 -1.084 0.375 1.00 . A A . 26 TYR N 1 1 11 4495 1 1 26 TYR O O -1.991 -2.446 -1.689 1.00 . A A . 26 TYR O 1 1 11 4496 1 1 26 TYR OH O -9.668 0.479 1.102 1.00 . A A . 26 TYR OH 1 1 11 4497 1 1 27 CYS C C -2.786 -6.273 -2.608 1.00 . A A . 27 CYS C 1 1 11 4498 1 1 27 CYS CA C -2.056 -5.286 -1.708 1.00 . A A . 27 CYS CA 1 1 11 4499 1 1 27 CYS CB C -1.093 -5.988 -0.744 1.00 . A A . 27 CYS CB 1 1 11 4500 1 1 27 CYS H H -3.688 -4.818 -0.464 1.00 . A A . 27 CYS H 1 1 11 4501 1 1 27 CYS HA H -1.469 -4.698 -2.380 1.00 . A A . 27 CYS HA 1 1 11 4502 1 1 27 CYS HB3 H -0.311 -6.453 -1.339 1.00 . A A . 27 CYS HB3 1 1 11 4503 1 1 27 CYS N N -2.960 -4.380 -1.008 1.00 . A A . 27 CYS N 1 1 11 4504 1 1 27 CYS O O -3.880 -6.723 -2.275 1.00 . A A . 27 CYS O 1 1 11 4505 1 1 27 CYS SG S -0.268 -4.880 0.416 1.00 . A A . 27 CYS SG 1 1 11 4506 1 1 28 LYS C C -2.552 -8.978 -4.237 1.00 . A A . 28 LYS C 1 1 11 4507 1 1 28 LYS CA C -2.779 -7.540 -4.713 1.00 . A A . 28 LYS CA 1 1 11 4508 1 1 28 LYS CB C -2.207 -7.308 -6.121 1.00 . A A . 28 LYS CB 1 1 11 4509 1 1 28 LYS CD C -2.020 -5.773 -8.101 1.00 . A A . 28 LYS CD 1 1 11 4510 1 1 28 LYS CE C -1.912 -4.326 -8.608 1.00 . A A . 28 LYS CE 1 1 11 4511 1 1 28 LYS CG C -2.385 -5.865 -6.610 1.00 . A A . 28 LYS CG 1 1 11 4512 1 1 28 LYS H H -1.241 -6.289 -3.953 1.00 . A A . 28 LYS H 1 1 11 4513 1 1 28 LYS HA H -3.856 -7.367 -4.763 1.00 . A A . 28 LYS HA 1 1 11 4514 1 1 28 LYS HB3 H -2.722 -7.980 -6.810 1.00 . A A . 28 LYS HB3 1 1 11 4515 1 1 28 LYS HD3 H -2.748 -6.332 -8.693 1.00 . A A . 28 LYS HD3 1 1 11 4516 1 1 28 LYS HE3 H -1.513 -4.342 -9.623 1.00 . A A . 28 LYS HE3 1 1 11 4517 1 1 28 LYS HG3 H -1.716 -5.229 -6.030 1.00 . A A . 28 LYS HG3 1 1 11 4518 1 1 28 LYS HZ1 H -3.661 -3.612 -7.714 1.00 . A A . 28 LYS HZ1 1 1 11 4519 1 1 28 LYS HZ2 H -3.086 -2.651 -8.884 1.00 . A A . 28 LYS HZ2 1 1 11 4520 1 1 28 LYS HZ3 H -3.859 -4.052 -9.269 1.00 . A A . 28 LYS HZ3 1 1 11 4521 1 1 28 LYS N N -2.183 -6.618 -3.755 1.00 . A A . 28 LYS N 1 1 11 4522 1 1 28 LYS NZ N -3.212 -3.620 -8.630 1.00 . A A . 28 LYS NZ 1 1 11 4523 1 1 28 LYS O O -1.901 -9.772 -4.912 1.00 . A A . 28 LYS O 1 1 11 4524 1 1 29 THR C C -3.984 -10.593 -1.286 1.00 . A A . 29 THR C 1 1 11 4525 1 1 29 THR CA C -2.979 -10.605 -2.434 1.00 . A A . 29 THR CA 1 1 11 4526 1 1 29 THR CB C -1.536 -10.908 -1.986 1.00 . A A . 29 THR CB 1 1 11 4527 1 1 29 THR CG2 C -0.948 -9.842 -1.054 1.00 . A A . 29 THR CG2 1 1 11 4528 1 1 29 THR H H -3.617 -8.625 -2.535 1.00 . A A . 29 THR H 1 1 11 4529 1 1 29 THR HA H -3.275 -11.360 -3.165 1.00 . A A . 29 THR HA 1 1 11 4530 1 1 29 THR HB H -0.902 -10.973 -2.872 1.00 . A A . 29 THR HB 1 1 11 4531 1 1 29 THR HG1 H -0.589 -12.390 -1.143 1.00 . A A . 29 THR HG1 1 1 11 4532 1 1 29 THR HG21 H 0.078 -10.107 -0.795 1.00 . A A . 29 THR HG21 1 1 11 4533 1 1 29 THR HG22 H -0.940 -8.874 -1.553 1.00 . A A . 29 THR HG22 1 1 11 4534 1 1 29 THR HG23 H -1.533 -9.770 -0.137 1.00 . A A . 29 THR HG23 1 1 11 4535 1 1 29 THR N N -3.077 -9.306 -3.058 1.00 . A A . 29 THR N 1 1 11 4536 1 1 29 THR O O -4.118 -9.592 -0.582 1.00 . A A . 29 THR O 1 1 11 4537 1 1 29 THR OG1 O -1.502 -12.162 -1.339 1.00 . A A . 29 THR OG1 1 1 11 4538 1 1 30 THR C C -6.126 -13.381 -0.185 1.00 . A A . 30 THR C 1 1 11 4539 1 1 30 THR CA C -5.755 -11.895 -0.142 1.00 . A A . 30 THR CA 1 1 11 4540 1 1 30 THR CB C -6.959 -10.955 -0.356 1.00 . A A . 30 THR CB 1 1 11 4541 1 1 30 THR CG2 C -7.627 -11.151 -1.723 1.00 . A A . 30 THR CG2 1 1 11 4542 1 1 30 THR H H -4.555 -12.446 -1.780 1.00 . A A . 30 THR H 1 1 11 4543 1 1 30 THR HA H -5.319 -11.685 0.835 1.00 . A A . 30 THR HA 1 1 11 4544 1 1 30 THR HB H -6.617 -9.922 -0.286 1.00 . A A . 30 THR HB 1 1 11 4545 1 1 30 THR HG1 H -8.583 -10.459 0.604 1.00 . A A . 30 THR HG1 1 1 11 4546 1 1 30 THR HG21 H -8.454 -10.449 -1.829 1.00 . A A . 30 THR HG21 1 1 11 4547 1 1 30 THR HG22 H -6.911 -10.962 -2.524 1.00 . A A . 30 THR HG22 1 1 11 4548 1 1 30 THR HG23 H -8.012 -12.166 -1.822 1.00 . A A . 30 THR HG23 1 1 11 4549 1 1 30 THR N N -4.741 -11.675 -1.159 1.00 . A A . 30 THR N 1 1 11 4550 1 1 30 THR O O -5.505 -14.154 -0.912 1.00 . A A . 30 THR O 1 1 11 4551 1 1 30 THR OG1 O -7.922 -11.156 0.664 1.00 . A A . 30 THR OG1 1 1 11 4552 1 1 31 NH2 HN1 H -7.660 -13.062 1.071 1.00 . A A . 31 NH2 HN1 1 1 11 4553 1 1 31 NH2 HN2 H -7.424 -14.747 0.581 1.00 . A A . 31 NH2 HN2 1 1 11 4554 1 1 31 NH2 N N -7.141 -13.780 0.575 1.00 . A A . 31 NH2 N 1 1 12 4555 1 1 1 PCA C C -1.128 8.846 6.901 1.00 . A A . 1 PCA C 1 1 12 4556 1 1 1 PCA CA C -0.329 9.685 5.908 1.00 . A A . 1 PCA CA 1 1 12 4557 1 1 1 PCA CB C 0.020 11.068 6.476 1.00 . A A . 1 PCA CB 1 1 12 4558 1 1 1 PCA CD C -1.719 11.163 4.819 1.00 . A A . 1 PCA CD 1 1 12 4559 1 1 1 PCA CG C -1.175 11.911 6.025 1.00 . A A . 1 PCA CG 1 1 12 4560 1 1 1 PCA HA H 0.578 9.154 5.623 1.00 . A A . 1 PCA HA 1 1 12 4561 1 1 1 PCA HB2 H 0.921 11.437 5.984 1.00 . A A . 1 PCA HB2 1 1 12 4562 1 1 1 PCA HB3 H 0.157 11.071 7.558 1.00 . A A . 1 PCA HB3 1 1 12 4563 1 1 1 PCA HG2 H -1.938 11.939 6.803 1.00 . A A . 1 PCA HG2 1 1 12 4564 1 1 1 PCA HG3 H -0.866 12.923 5.765 1.00 . A A . 1 PCA HG3 1 1 12 4565 1 1 1 PCA N N -1.162 9.955 4.752 1.00 . A A . 1 PCA N 1 1 12 4566 1 1 1 PCA O O -1.874 9.382 7.720 1.00 . A A . 1 PCA O 1 1 12 4567 1 1 1 PCA OE O -2.447 11.694 3.998 1.00 . A A . 1 PCA OE 1 1 12 4568 1 1 2 THR C C -0.697 5.378 7.852 1.00 . A A . 2 THR C 1 1 12 4569 1 1 2 THR CA C -1.620 6.594 7.754 1.00 . A A . 2 THR CA 1 1 12 4570 1 1 2 THR CB C -3.076 6.312 7.332 1.00 . A A . 2 THR CB 1 1 12 4571 1 1 2 THR CG2 C -3.882 5.660 8.460 1.00 . A A . 2 THR CG2 1 1 12 4572 1 1 2 THR H H -0.435 7.144 6.066 1.00 . A A . 2 THR H 1 1 12 4573 1 1 2 THR HA H -1.644 7.021 8.750 1.00 . A A . 2 THR HA 1 1 12 4574 1 1 2 THR HB H -3.075 5.686 6.440 1.00 . A A . 2 THR HB 1 1 12 4575 1 1 2 THR HG1 H -3.323 8.244 7.463 1.00 . A A . 2 THR HG1 1 1 12 4576 1 1 2 THR HG21 H -3.902 6.319 9.329 1.00 . A A . 2 THR HG21 1 1 12 4577 1 1 2 THR HG22 H -4.908 5.503 8.124 1.00 . A A . 2 THR HG22 1 1 12 4578 1 1 2 THR HG23 H -3.463 4.700 8.754 1.00 . A A . 2 THR HG23 1 1 12 4579 1 1 2 THR N N -1.006 7.525 6.815 1.00 . A A . 2 THR N 1 1 12 4580 1 1 2 THR O O 0.468 5.531 8.211 1.00 . A A . 2 THR O 1 1 12 4581 1 1 2 THR OG1 O -3.740 7.512 6.987 1.00 . A A . 2 THR OG1 1 1 12 4582 1 1 3 GLN C C 0.853 3.401 6.314 1.00 . A A . 3 GLN C 1 1 12 4583 1 1 3 GLN CA C -0.314 3.030 7.233 1.00 . A A . 3 GLN CA 1 1 12 4584 1 1 3 GLN CB C -1.123 1.920 6.554 1.00 . A A . 3 GLN CB 1 1 12 4585 1 1 3 GLN CD C -3.007 0.275 6.780 1.00 . A A . 3 GLN CD 1 1 12 4586 1 1 3 GLN CG C -2.277 1.397 7.410 1.00 . A A . 3 GLN CG 1 1 12 4587 1 1 3 GLN H H -2.150 4.122 7.258 1.00 . A A . 3 GLN H 1 1 12 4588 1 1 3 GLN HA H 0.079 2.666 8.184 1.00 . A A . 3 GLN HA 1 1 12 4589 1 1 3 GLN HB3 H -0.448 1.088 6.335 1.00 . A A . 3 GLN HB3 1 1 12 4590 1 1 3 GLN HE21 H -4.125 0.232 8.488 1.00 . A A . 3 GLN HE21 1 1 12 4591 1 1 3 GLN HE22 H -4.380 -0.986 7.290 1.00 . A A . 3 GLN HE22 1 1 12 4592 1 1 3 GLN HG3 H -3.080 2.102 7.585 1.00 . A A . 3 GLN HG3 1 1 12 4593 1 1 3 GLN N N -1.170 4.190 7.471 1.00 . A A . 3 GLN N 1 1 12 4594 1 1 3 GLN NE2 N -3.934 -0.180 7.588 1.00 . A A . 3 GLN NE2 1 1 12 4595 1 1 3 GLN O O 1.965 2.900 6.474 1.00 . A A . 3 GLN O 1 1 12 4596 1 1 3 GLN OE1 O -2.754 -0.167 5.662 1.00 . A A . 3 GLN OE1 1 1 12 4597 1 1 4 CYS C C 1.178 6.135 3.939 1.00 . A A . 4 CYS C 1 1 12 4598 1 1 4 CYS CA C 1.452 4.674 4.264 1.00 . A A . 4 CYS CA 1 1 12 4599 1 1 4 CYS CB C 1.206 3.836 3.009 1.00 . A A . 4 CYS CB 1 1 12 4600 1 1 4 CYS H H -0.375 4.636 5.281 1.00 . A A . 4 CYS H 1 1 12 4601 1 1 4 CYS HA H 2.492 4.569 4.579 1.00 . A A . 4 CYS HA 1 1 12 4602 1 1 4 CYS HB3 H 1.547 2.826 3.193 1.00 . A A . 4 CYS HB3 1 1 12 4603 1 1 4 CYS N N 0.556 4.243 5.321 1.00 . A A . 4 CYS N 1 1 12 4604 1 1 4 CYS O O 0.168 6.694 4.370 1.00 . A A . 4 CYS O 1 1 12 4605 1 1 4 CYS SG S -0.517 3.783 2.429 1.00 . A A . 4 CYS SG 1 1 12 4606 1 1 5 GLN C C 1.736 7.750 0.972 1.00 . A A . 5 GLN C 1 1 12 4607 1 1 5 GLN CA C 1.949 7.991 2.472 1.00 . A A . 5 GLN CA 1 1 12 4608 1 1 5 GLN CB C 3.211 8.838 2.685 1.00 . A A . 5 GLN CB 1 1 12 4609 1 1 5 GLN CD C 4.659 10.049 4.366 1.00 . A A . 5 GLN CD 1 1 12 4610 1 1 5 GLN CG C 3.418 9.188 4.163 1.00 . A A . 5 GLN CG 1 1 12 4611 1 1 5 GLN H H 2.909 6.171 2.911 1.00 . A A . 5 GLN H 1 1 12 4612 1 1 5 GLN HA H 1.093 8.544 2.860 1.00 . A A . 5 GLN HA 1 1 12 4613 1 1 5 GLN HB3 H 3.109 9.759 2.110 1.00 . A A . 5 GLN HB3 1 1 12 4614 1 1 5 GLN HE21 H 3.842 11.606 3.338 1.00 . A A . 5 GLN HE21 1 1 12 4615 1 1 5 GLN HE22 H 5.457 11.857 3.976 1.00 . A A . 5 GLN HE22 1 1 12 4616 1 1 5 GLN HG3 H 3.531 8.274 4.747 1.00 . A A . 5 GLN HG3 1 1 12 4617 1 1 5 GLN N N 2.086 6.719 3.161 1.00 . A A . 5 GLN N 1 1 12 4618 1 1 5 GLN NE2 N 4.644 11.275 3.849 1.00 . A A . 5 GLN NE2 1 1 12 4619 1 1 5 GLN O O 1.001 8.501 0.334 1.00 . A A . 5 GLN O 1 1 12 4620 1 1 5 GLN OE1 O 5.629 9.624 4.983 1.00 . A A . 5 GLN OE1 1 1 12 4621 1 1 6 SER C C 2.536 4.994 -1.339 1.00 . A A . 6 SER C 1 1 12 4622 1 1 6 SER CA C 2.299 6.460 -1.046 1.00 . A A . 6 SER CA 1 1 12 4623 1 1 6 SER CB C 3.278 7.317 -1.858 1.00 . A A . 6 SER CB 1 1 12 4624 1 1 6 SER H H 2.955 6.096 0.950 1.00 . A A . 6 SER H 1 1 12 4625 1 1 6 SER HA H 1.288 6.685 -1.389 1.00 . A A . 6 SER HA 1 1 12 4626 1 1 6 SER HB3 H 2.735 8.205 -2.160 1.00 . A A . 6 SER HB3 1 1 12 4627 1 1 6 SER HG H 4.236 7.793 -0.219 1.00 . A A . 6 SER HG 1 1 12 4628 1 1 6 SER N N 2.388 6.738 0.384 1.00 . A A . 6 SER N 1 1 12 4629 1 1 6 SER O O 2.898 4.209 -0.472 1.00 . A A . 6 SER O 1 1 12 4630 1 1 6 SER OG O 4.461 7.609 -1.138 1.00 . A A . 6 SER OG 1 1 12 4631 1 1 7 VAL C C 3.793 2.638 -2.666 1.00 . A A . 7 VAL C 1 1 12 4632 1 1 7 VAL CA C 2.424 3.240 -3.029 1.00 . A A . 7 VAL CA 1 1 12 4633 1 1 7 VAL CB C 2.084 3.193 -4.524 1.00 . A A . 7 VAL CB 1 1 12 4634 1 1 7 VAL CG1 C 3.197 3.728 -5.435 1.00 . A A . 7 VAL CG1 1 1 12 4635 1 1 7 VAL CG2 C 1.710 1.770 -4.906 1.00 . A A . 7 VAL CG2 1 1 12 4636 1 1 7 VAL H H 2.034 5.312 -3.269 1.00 . A A . 7 VAL H 1 1 12 4637 1 1 7 VAL HA H 1.655 2.699 -2.467 1.00 . A A . 7 VAL HA 1 1 12 4638 1 1 7 VAL HB H 1.195 3.804 -4.692 1.00 . A A . 7 VAL HB 1 1 12 4639 1 1 7 VAL HG11 H 4.075 3.085 -5.390 1.00 . A A . 7 VAL HG11 1 1 12 4640 1 1 7 VAL HG12 H 2.840 3.752 -6.464 1.00 . A A . 7 VAL HG12 1 1 12 4641 1 1 7 VAL HG13 H 3.472 4.741 -5.140 1.00 . A A . 7 VAL HG13 1 1 12 4642 1 1 7 VAL HG21 H 0.875 1.469 -4.278 1.00 . A A . 7 VAL HG21 1 1 12 4643 1 1 7 VAL HG22 H 1.410 1.748 -5.952 1.00 . A A . 7 VAL HG22 1 1 12 4644 1 1 7 VAL HG23 H 2.560 1.111 -4.742 1.00 . A A . 7 VAL HG23 1 1 12 4645 1 1 7 VAL N N 2.324 4.617 -2.596 1.00 . A A . 7 VAL N 1 1 12 4646 1 1 7 VAL O O 3.877 1.492 -2.232 1.00 . A A . 7 VAL O 1 1 12 4647 1 1 8 ARG C C 6.248 2.535 -0.934 1.00 . A A . 8 ARG C 1 1 12 4648 1 1 8 ARG CA C 6.197 3.255 -2.284 1.00 . A A . 8 ARG CA 1 1 12 4649 1 1 8 ARG CB C 6.790 4.669 -2.200 1.00 . A A . 8 ARG CB 1 1 12 4650 1 1 8 ARG CD C 8.116 5.026 -0.047 1.00 . A A . 8 ARG CD 1 1 12 4651 1 1 8 ARG CG C 8.175 4.765 -1.562 1.00 . A A . 8 ARG CG 1 1 12 4652 1 1 8 ARG CZ C 9.682 5.739 1.757 1.00 . A A . 8 ARG CZ 1 1 12 4653 1 1 8 ARG H H 4.690 4.370 -3.164 1.00 . A A . 8 ARG H 1 1 12 4654 1 1 8 ARG HA H 6.765 2.667 -3.007 1.00 . A A . 8 ARG HA 1 1 12 4655 1 1 8 ARG HB3 H 6.108 5.330 -1.659 1.00 . A A . 8 ARG HB3 1 1 12 4656 1 1 8 ARG HD3 H 7.748 4.147 0.478 1.00 . A A . 8 ARG HD3 1 1 12 4657 1 1 8 ARG HE H 10.203 5.353 -0.174 1.00 . A A . 8 ARG HE 1 1 12 4658 1 1 8 ARG HG3 H 8.660 5.615 -2.040 1.00 . A A . 8 ARG HG3 1 1 12 4659 1 1 8 ARG HH11 H 7.761 5.406 2.428 1.00 . A A . 8 ARG HH11 1 1 12 4660 1 1 8 ARG HH12 H 8.848 6.012 3.625 1.00 . A A . 8 ARG HH12 1 1 12 4661 1 1 8 ARG HH21 H 11.664 6.136 1.434 1.00 . A A . 8 ARG HH21 1 1 12 4662 1 1 8 ARG HH22 H 11.119 6.396 3.061 1.00 . A A . 8 ARG HH22 1 1 12 4663 1 1 8 ARG N N 4.849 3.452 -2.785 1.00 . A A . 8 ARG N 1 1 12 4664 1 1 8 ARG NE N 9.440 5.371 0.488 1.00 . A A . 8 ARG NE 1 1 12 4665 1 1 8 ARG NH1 N 8.707 5.729 2.669 1.00 . A A . 8 ARG NH1 1 1 12 4666 1 1 8 ARG NH2 N 10.915 6.119 2.111 1.00 . A A . 8 ARG NH2 1 1 12 4667 1 1 8 ARG O O 7.079 1.656 -0.711 1.00 . A A . 8 ARG O 1 1 12 4668 1 1 9 ASP C C 4.782 0.975 1.237 1.00 . A A . 9 ASP C 1 1 12 4669 1 1 9 ASP CA C 5.331 2.392 1.333 1.00 . A A . 9 ASP CA 1 1 12 4670 1 1 9 ASP CB C 4.426 3.331 2.123 1.00 . A A . 9 ASP CB 1 1 12 4671 1 1 9 ASP CG C 5.019 4.723 2.238 1.00 . A A . 9 ASP CG 1 1 12 4672 1 1 9 ASP H H 4.683 3.637 -0.205 1.00 . A A . 9 ASP H 1 1 12 4673 1 1 9 ASP HA H 6.315 2.365 1.797 1.00 . A A . 9 ASP HA 1 1 12 4674 1 1 9 ASP HB3 H 4.128 2.966 3.090 1.00 . A A . 9 ASP HB3 1 1 12 4675 1 1 9 ASP N N 5.389 2.939 -0.003 1.00 . A A . 9 ASP N 1 1 12 4676 1 1 9 ASP O O 5.413 0.018 1.697 1.00 . A A . 9 ASP O 1 1 12 4677 1 1 9 ASP OD1 O 6.240 4.828 2.485 1.00 . A A . 9 ASP OD1 1 1 12 4678 1 1 9 ASP OD2 O 4.239 5.672 2.025 1.00 . A A . 9 ASP OD2 1 1 12 4679 1 1 10 CYS C C 4.093 -1.435 -0.303 1.00 . A A . 10 CYS C 1 1 12 4680 1 1 10 CYS CA C 3.101 -0.527 0.402 1.00 . A A . 10 CYS CA 1 1 12 4681 1 1 10 CYS CB C 1.729 -0.649 -0.263 1.00 . A A . 10 CYS CB 1 1 12 4682 1 1 10 CYS H H 3.194 1.609 0.123 1.00 . A A . 10 CYS H 1 1 12 4683 1 1 10 CYS HA H 2.996 -0.943 1.393 1.00 . A A . 10 CYS HA 1 1 12 4684 1 1 10 CYS HB3 H 1.961 -0.996 -1.230 1.00 . A A . 10 CYS HB3 1 1 12 4685 1 1 10 CYS N N 3.628 0.816 0.577 1.00 . A A . 10 CYS N 1 1 12 4686 1 1 10 CYS O O 4.129 -2.614 0.003 1.00 . A A . 10 CYS O 1 1 12 4687 1 1 10 CYS SG S 0.658 -1.870 0.548 1.00 . A A . 10 CYS SG 1 1 12 4688 1 1 11 GLN C C 6.875 -2.395 -0.995 1.00 . A A . 11 GLN C 1 1 12 4689 1 1 11 GLN CA C 5.869 -1.742 -1.957 1.00 . A A . 11 GLN CA 1 1 12 4690 1 1 11 GLN CB C 6.564 -0.910 -3.040 1.00 . A A . 11 GLN CB 1 1 12 4691 1 1 11 GLN CD C 6.142 0.401 -5.192 1.00 . A A . 11 GLN CD 1 1 12 4692 1 1 11 GLN CG C 5.602 -0.630 -4.204 1.00 . A A . 11 GLN CG 1 1 12 4693 1 1 11 GLN H H 4.779 0.053 -1.501 1.00 . A A . 11 GLN H 1 1 12 4694 1 1 11 GLN HA H 5.337 -2.551 -2.463 1.00 . A A . 11 GLN HA 1 1 12 4695 1 1 11 GLN HB3 H 7.422 -1.461 -3.430 1.00 . A A . 11 GLN HB3 1 1 12 4696 1 1 11 GLN HE21 H 4.549 0.141 -6.436 1.00 . A A . 11 GLN HE21 1 1 12 4697 1 1 11 GLN HE22 H 5.757 1.307 -6.947 1.00 . A A . 11 GLN HE22 1 1 12 4698 1 1 11 GLN HG3 H 4.653 -0.260 -3.822 1.00 . A A . 11 GLN HG3 1 1 12 4699 1 1 11 GLN N N 4.889 -0.923 -1.246 1.00 . A A . 11 GLN N 1 1 12 4700 1 1 11 GLN NE2 N 5.410 0.639 -6.277 1.00 . A A . 11 GLN NE2 1 1 12 4701 1 1 11 GLN O O 7.516 -3.378 -1.358 1.00 . A A . 11 GLN O 1 1 12 4702 1 1 11 GLN OE1 O 7.199 0.990 -4.993 1.00 . A A . 11 GLN OE1 1 1 12 4703 1 1 12 GLN C C 6.914 -3.488 2.067 1.00 . A A . 12 GLN C 1 1 12 4704 1 1 12 GLN CA C 7.793 -2.502 1.286 1.00 . A A . 12 GLN CA 1 1 12 4705 1 1 12 GLN CB C 8.398 -1.419 2.186 1.00 . A A . 12 GLN CB 1 1 12 4706 1 1 12 GLN CD C 9.587 0.806 2.019 1.00 . A A . 12 GLN CD 1 1 12 4707 1 1 12 GLN CG C 9.431 -0.582 1.413 1.00 . A A . 12 GLN CG 1 1 12 4708 1 1 12 GLN H H 6.473 -1.049 0.481 1.00 . A A . 12 GLN H 1 1 12 4709 1 1 12 GLN HA H 8.620 -3.067 0.855 1.00 . A A . 12 GLN HA 1 1 12 4710 1 1 12 GLN HB3 H 8.892 -1.884 3.040 1.00 . A A . 12 GLN HB3 1 1 12 4711 1 1 12 GLN HE21 H 8.199 1.586 0.740 1.00 . A A . 12 GLN HE21 1 1 12 4712 1 1 12 GLN HE22 H 8.863 2.685 1.946 1.00 . A A . 12 GLN HE22 1 1 12 4713 1 1 12 GLN HG3 H 9.136 -0.464 0.371 1.00 . A A . 12 GLN HG3 1 1 12 4714 1 1 12 GLN N N 7.016 -1.869 0.228 1.00 . A A . 12 GLN N 1 1 12 4715 1 1 12 GLN NE2 N 8.838 1.778 1.511 1.00 . A A . 12 GLN NE2 1 1 12 4716 1 1 12 GLN O O 7.351 -4.595 2.363 1.00 . A A . 12 GLN O 1 1 12 4717 1 1 12 GLN OE1 O 10.375 1.013 2.937 1.00 . A A . 12 GLN OE1 1 1 12 4718 1 1 13 TYR C C 4.319 -5.225 2.357 1.00 . A A . 13 TYR C 1 1 12 4719 1 1 13 TYR CA C 4.765 -3.979 3.151 1.00 . A A . 13 TYR CA 1 1 12 4720 1 1 13 TYR CB C 3.520 -3.202 3.605 1.00 . A A . 13 TYR CB 1 1 12 4721 1 1 13 TYR CD1 C 3.731 -2.524 6.038 1.00 . A A . 13 TYR CD1 1 1 12 4722 1 1 13 TYR CD2 C 3.632 -0.777 4.359 1.00 . A A . 13 TYR CD2 1 1 12 4723 1 1 13 TYR CE1 C 3.597 -1.551 7.049 1.00 . A A . 13 TYR CE1 1 1 12 4724 1 1 13 TYR CE2 C 3.494 0.193 5.362 1.00 . A A . 13 TYR CE2 1 1 12 4725 1 1 13 TYR CG C 3.717 -2.144 4.683 1.00 . A A . 13 TYR CG 1 1 12 4726 1 1 13 TYR CZ C 3.442 -0.196 6.709 1.00 . A A . 13 TYR CZ 1 1 12 4727 1 1 13 TYR H H 5.359 -2.184 2.116 1.00 . A A . 13 TYR H 1 1 12 4728 1 1 13 TYR HA H 5.280 -4.332 4.046 1.00 . A A . 13 TYR HA 1 1 12 4729 1 1 13 TYR HB3 H 2.802 -3.923 4.000 1.00 . A A . 13 TYR HB3 1 1 12 4730 1 1 13 TYR HD1 H 3.767 -3.570 6.307 1.00 . A A . 13 TYR HD1 1 1 12 4731 1 1 13 TYR HD2 H 3.586 -0.456 3.338 1.00 . A A . 13 TYR HD2 1 1 12 4732 1 1 13 TYR HE1 H 3.552 -1.852 8.085 1.00 . A A . 13 TYR HE1 1 1 12 4733 1 1 13 TYR HE2 H 3.390 1.232 5.086 1.00 . A A . 13 TYR HE2 1 1 12 4734 1 1 13 TYR HH H 2.908 1.579 7.300 1.00 . A A . 13 TYR HH 1 1 12 4735 1 1 13 TYR N N 5.676 -3.102 2.404 1.00 . A A . 13 TYR N 1 1 12 4736 1 1 13 TYR O O 3.959 -6.235 2.957 1.00 . A A . 13 TYR O 1 1 12 4737 1 1 13 TYR OH O 3.174 0.728 7.674 1.00 . A A . 13 TYR OH 1 1 12 4738 1 1 14 CYS C C 4.405 -6.168 -1.167 1.00 . A A . 14 CYS C 1 1 12 4739 1 1 14 CYS CA C 3.610 -6.086 0.126 1.00 . A A . 14 CYS CA 1 1 12 4740 1 1 14 CYS CB C 2.191 -5.597 -0.218 1.00 . A A . 14 CYS CB 1 1 12 4741 1 1 14 CYS H H 4.652 -4.315 0.591 1.00 . A A . 14 CYS H 1 1 12 4742 1 1 14 CYS HA H 3.555 -7.077 0.582 1.00 . A A . 14 CYS HA 1 1 12 4743 1 1 14 CYS HB3 H 1.833 -6.058 -1.143 1.00 . A A . 14 CYS HB3 1 1 12 4744 1 1 14 CYS N N 4.271 -5.144 1.025 1.00 . A A . 14 CYS N 1 1 12 4745 1 1 14 CYS O O 4.858 -5.146 -1.677 1.00 . A A . 14 CYS O 1 1 12 4746 1 1 14 CYS SG S 0.953 -5.962 1.051 1.00 . A A . 14 CYS SG 1 1 12 4747 1 1 15 LEU C C 4.382 -6.839 -4.108 1.00 . A A . 15 LEU C 1 1 12 4748 1 1 15 LEU CA C 5.177 -7.570 -3.018 1.00 . A A . 15 LEU CA 1 1 12 4749 1 1 15 LEU CB C 5.311 -9.080 -3.297 1.00 . A A . 15 LEU CB 1 1 12 4750 1 1 15 LEU CD1 C 6.478 -8.809 -5.574 1.00 . A A . 15 LEU CD1 1 1 12 4751 1 1 15 LEU CD2 C 7.843 -9.294 -3.525 1.00 . A A . 15 LEU CD2 1 1 12 4752 1 1 15 LEU CG C 6.484 -9.496 -4.206 1.00 . A A . 15 LEU CG 1 1 12 4753 1 1 15 LEU H H 4.148 -8.176 -1.252 1.00 . A A . 15 LEU H 1 1 12 4754 1 1 15 LEU HA H 6.168 -7.123 -2.954 1.00 . A A . 15 LEU HA 1 1 12 4755 1 1 15 LEU HB3 H 4.380 -9.445 -3.733 1.00 . A A . 15 LEU HB3 1 1 12 4756 1 1 15 LEU HD11 H 6.772 -7.764 -5.477 1.00 . A A . 15 LEU HD11 1 1 12 4757 1 1 15 LEU HD12 H 7.193 -9.306 -6.231 1.00 . A A . 15 LEU HD12 1 1 12 4758 1 1 15 LEU HD13 H 5.487 -8.872 -6.023 1.00 . A A . 15 LEU HD13 1 1 12 4759 1 1 15 LEU HD21 H 8.058 -8.236 -3.386 1.00 . A A . 15 LEU HD21 1 1 12 4760 1 1 15 LEU HD22 H 7.853 -9.791 -2.555 1.00 . A A . 15 LEU HD22 1 1 12 4761 1 1 15 LEU HD23 H 8.626 -9.728 -4.148 1.00 . A A . 15 LEU HD23 1 1 12 4762 1 1 15 LEU HG H 6.370 -10.568 -4.382 1.00 . A A . 15 LEU HG 1 1 12 4763 1 1 15 LEU N N 4.526 -7.372 -1.729 1.00 . A A . 15 LEU N 1 1 12 4764 1 1 15 LEU O O 4.959 -6.116 -4.915 1.00 . A A . 15 LEU O 1 1 12 4765 1 1 16 THR C C 1.026 -5.651 -4.614 1.00 . A A . 16 THR C 1 1 12 4766 1 1 16 THR CA C 2.185 -6.493 -5.168 1.00 . A A . 16 THR CA 1 1 12 4767 1 1 16 THR CB C 1.683 -7.667 -6.024 1.00 . A A . 16 THR CB 1 1 12 4768 1 1 16 THR CG2 C 1.102 -7.142 -7.340 1.00 . A A . 16 THR CG2 1 1 12 4769 1 1 16 THR H H 2.645 -7.621 -3.423 1.00 . A A . 16 THR H 1 1 12 4770 1 1 16 THR HA H 2.755 -5.841 -5.832 1.00 . A A . 16 THR HA 1 1 12 4771 1 1 16 THR HB H 0.920 -8.227 -5.479 1.00 . A A . 16 THR HB 1 1 12 4772 1 1 16 THR HG1 H 2.432 -9.265 -6.861 1.00 . A A . 16 THR HG1 1 1 12 4773 1 1 16 THR HG21 H 1.882 -6.626 -7.901 1.00 . A A . 16 THR HG21 1 1 12 4774 1 1 16 THR HG22 H 0.718 -7.970 -7.934 1.00 . A A . 16 THR HG22 1 1 12 4775 1 1 16 THR HG23 H 0.293 -6.443 -7.134 1.00 . A A . 16 THR HG23 1 1 12 4776 1 1 16 THR N N 3.052 -7.008 -4.112 1.00 . A A . 16 THR N 1 1 12 4777 1 1 16 THR O O -0.126 -6.100 -4.594 1.00 . A A . 16 THR O 1 1 12 4778 1 1 16 THR OG1 O 2.755 -8.541 -6.318 1.00 . A A . 16 THR OG1 1 1 12 4779 1 1 17 PRO C C -0.788 -3.178 -4.673 1.00 . A A . 17 PRO C 1 1 12 4780 1 1 17 PRO CA C 0.265 -3.567 -3.641 1.00 . A A . 17 PRO CA 1 1 12 4781 1 1 17 PRO CB C 0.954 -2.387 -2.963 1.00 . A A . 17 PRO CB 1 1 12 4782 1 1 17 PRO CD C 2.530 -3.990 -3.564 1.00 . A A . 17 PRO CD 1 1 12 4783 1 1 17 PRO CG C 2.432 -2.529 -3.258 1.00 . A A . 17 PRO CG 1 1 12 4784 1 1 17 PRO HA H -0.149 -4.161 -2.838 1.00 . A A . 17 PRO HA 1 1 12 4785 1 1 17 PRO HB3 H 0.725 -2.441 -1.910 1.00 . A A . 17 PRO HB3 1 1 12 4786 1 1 17 PRO HD3 H 2.481 -4.372 -2.574 1.00 . A A . 17 PRO HD3 1 1 12 4787 1 1 17 PRO HG3 H 3.067 -2.315 -2.416 1.00 . A A . 17 PRO HG3 1 1 12 4788 1 1 17 PRO N N 1.295 -4.416 -4.167 1.00 . A A . 17 PRO N 1 1 12 4789 1 1 17 PRO O O -0.540 -3.160 -5.881 1.00 . A A . 17 PRO O 1 1 12 4790 1 1 18 ASP C C -2.813 -0.832 -5.023 1.00 . A A . 18 ASP C 1 1 12 4791 1 1 18 ASP CA C -3.085 -2.324 -4.939 1.00 . A A . 18 ASP CA 1 1 12 4792 1 1 18 ASP CB C -4.429 -2.645 -4.268 1.00 . A A . 18 ASP CB 1 1 12 4793 1 1 18 ASP CG C -5.618 -2.275 -5.144 1.00 . A A . 18 ASP CG 1 1 12 4794 1 1 18 ASP H H -2.077 -2.834 -3.181 1.00 . A A . 18 ASP H 1 1 12 4795 1 1 18 ASP HA H -3.104 -2.748 -5.934 1.00 . A A . 18 ASP HA 1 1 12 4796 1 1 18 ASP HB3 H -4.513 -2.099 -3.340 1.00 . A A . 18 ASP HB3 1 1 12 4797 1 1 18 ASP N N -1.990 -2.888 -4.184 1.00 . A A . 18 ASP N 1 1 12 4798 1 1 18 ASP O O -2.537 -0.313 -6.105 1.00 . A A . 18 ASP O 1 1 12 4799 1 1 18 ASP OD1 O -5.461 -2.288 -6.381 1.00 . A A . 18 ASP OD1 1 1 12 4800 1 1 18 ASP OD2 O -6.683 -1.950 -4.568 1.00 . A A . 18 ASP OD2 1 1 12 4801 1 1 19 ARG C C -2.312 1.586 -2.291 1.00 . A A . 19 ARG C 1 1 12 4802 1 1 19 ARG CA C -2.686 1.266 -3.733 1.00 . A A . 19 ARG CA 1 1 12 4803 1 1 19 ARG CB C -4.005 1.994 -4.055 1.00 . A A . 19 ARG CB 1 1 12 4804 1 1 19 ARG CD C -6.569 1.699 -4.442 1.00 . A A . 19 ARG CD 1 1 12 4805 1 1 19 ARG CG C -5.253 1.137 -3.895 1.00 . A A . 19 ARG CG 1 1 12 4806 1 1 19 ARG CZ C -8.340 0.373 -5.620 1.00 . A A . 19 ARG CZ 1 1 12 4807 1 1 19 ARG H H -3.116 -0.649 -3.006 1.00 . A A . 19 ARG H 1 1 12 4808 1 1 19 ARG HA H -1.894 1.616 -4.398 1.00 . A A . 19 ARG HA 1 1 12 4809 1 1 19 ARG HB3 H -3.962 2.442 -5.048 1.00 . A A . 19 ARG HB3 1 1 12 4810 1 1 19 ARG HD3 H -6.367 2.168 -5.406 1.00 . A A . 19 ARG HD3 1 1 12 4811 1 1 19 ARG HE H -7.145 -0.318 -4.199 1.00 . A A . 19 ARG HE 1 1 12 4812 1 1 19 ARG HG3 H -5.329 0.810 -2.869 1.00 . A A . 19 ARG HG3 1 1 12 4813 1 1 19 ARG HH11 H -8.662 2.350 -5.921 1.00 . A A . 19 ARG HH11 1 1 12 4814 1 1 19 ARG HH12 H -9.537 1.303 -7.006 1.00 . A A . 19 ARG HH12 1 1 12 4815 1 1 19 ARG HH21 H -8.013 -1.596 -5.551 1.00 . A A . 19 ARG HH21 1 1 12 4816 1 1 19 ARG HH22 H -9.237 -1.133 -6.735 1.00 . A A . 19 ARG HH22 1 1 12 4817 1 1 19 ARG N N -2.846 -0.168 -3.861 1.00 . A A . 19 ARG N 1 1 12 4818 1 1 19 ARG NE N -7.473 0.556 -4.620 1.00 . A A . 19 ARG NE 1 1 12 4819 1 1 19 ARG NH1 N -8.891 1.421 -6.241 1.00 . A A . 19 ARG NH1 1 1 12 4820 1 1 19 ARG NH2 N -8.617 -0.880 -5.983 1.00 . A A . 19 ARG NH2 1 1 12 4821 1 1 19 ARG O O -2.765 0.911 -1.372 1.00 . A A . 19 ARG O 1 1 12 4822 1 1 20 CYS C C -2.989 4.361 -1.114 1.00 . A A . 20 CYS C 1 1 12 4823 1 1 20 CYS CA C -1.771 3.471 -0.878 1.00 . A A . 20 CYS CA 1 1 12 4824 1 1 20 CYS CB C -0.519 4.292 -0.586 1.00 . A A . 20 CYS CB 1 1 12 4825 1 1 20 CYS H H -1.336 3.216 -2.920 1.00 . A A . 20 CYS H 1 1 12 4826 1 1 20 CYS HA H -1.944 2.823 -0.024 1.00 . A A . 20 CYS HA 1 1 12 4827 1 1 20 CYS HB3 H -0.354 4.982 -1.411 1.00 . A A . 20 CYS HB3 1 1 12 4828 1 1 20 CYS N N -1.607 2.699 -2.098 1.00 . A A . 20 CYS N 1 1 12 4829 1 1 20 CYS O O -2.966 5.193 -2.022 1.00 . A A . 20 CYS O 1 1 12 4830 1 1 20 CYS SG S -0.667 5.241 0.948 1.00 . A A . 20 CYS SG 1 1 12 4831 1 1 21 SER C C -6.243 4.639 0.573 1.00 . A A . 21 SER C 1 1 12 4832 1 1 21 SER CA C -5.371 4.766 -0.674 1.00 . A A . 21 SER CA 1 1 12 4833 1 1 21 SER CB C -6.022 4.125 -1.910 1.00 . A A . 21 SER CB 1 1 12 4834 1 1 21 SER H H -4.120 3.388 0.289 1.00 . A A . 21 SER H 1 1 12 4835 1 1 21 SER HA H -5.208 5.832 -0.853 1.00 . A A . 21 SER HA 1 1 12 4836 1 1 21 SER HB3 H -7.097 4.271 -1.844 1.00 . A A . 21 SER HB3 1 1 12 4837 1 1 21 SER HG H -4.605 5.012 -2.918 1.00 . A A . 21 SER HG 1 1 12 4838 1 1 21 SER N N -4.100 4.115 -0.422 1.00 . A A . 21 SER N 1 1 12 4839 1 1 21 SER O O -6.051 3.712 1.351 1.00 . A A . 21 SER O 1 1 12 4840 1 1 21 SER OG O -5.533 4.777 -3.065 1.00 . A A . 21 SER OG 1 1 12 4841 1 1 22 TYR C C -7.322 5.375 3.261 1.00 . A A . 22 TYR C 1 1 12 4842 1 1 22 TYR CA C -8.076 5.582 1.935 1.00 . A A . 22 TYR CA 1 1 12 4843 1 1 22 TYR CB C -9.198 4.570 1.710 1.00 . A A . 22 TYR CB 1 1 12 4844 1 1 22 TYR CD1 C -11.341 5.765 2.334 1.00 . A A . 22 TYR CD1 1 1 12 4845 1 1 22 TYR CD2 C -10.684 3.805 3.619 1.00 . A A . 22 TYR CD2 1 1 12 4846 1 1 22 TYR CE1 C -12.506 5.883 3.112 1.00 . A A . 22 TYR CE1 1 1 12 4847 1 1 22 TYR CE2 C -11.849 3.924 4.398 1.00 . A A . 22 TYR CE2 1 1 12 4848 1 1 22 TYR CG C -10.423 4.730 2.591 1.00 . A A . 22 TYR CG 1 1 12 4849 1 1 22 TYR CZ C -12.759 4.964 4.145 1.00 . A A . 22 TYR CZ 1 1 12 4850 1 1 22 TYR H H -7.270 6.321 0.109 1.00 . A A . 22 TYR H 1 1 12 4851 1 1 22 TYR HA H -8.564 6.544 1.974 1.00 . A A . 22 TYR HA 1 1 12 4852 1 1 22 TYR HB3 H -8.756 3.606 1.894 1.00 . A A . 22 TYR HB3 1 1 12 4853 1 1 22 TYR HD1 H -11.162 6.465 1.533 1.00 . A A . 22 TYR HD1 1 1 12 4854 1 1 22 TYR HD2 H -9.989 3.001 3.819 1.00 . A A . 22 TYR HD2 1 1 12 4855 1 1 22 TYR HE1 H -13.213 6.675 2.913 1.00 . A A . 22 TYR HE1 1 1 12 4856 1 1 22 TYR HE2 H -12.034 3.210 5.189 1.00 . A A . 22 TYR HE2 1 1 12 4857 1 1 22 TYR HH H -13.970 4.405 5.566 1.00 . A A . 22 TYR HH 1 1 12 4858 1 1 22 TYR N N -7.171 5.578 0.784 1.00 . A A . 22 TYR N 1 1 12 4859 1 1 22 TYR O O -7.765 4.638 4.138 1.00 . A A . 22 TYR O 1 1 12 4860 1 1 22 TYR OH O -13.895 5.080 4.888 1.00 . A A . 22 TYR OH 1 1 12 4861 1 1 23 GLY C C -4.978 4.383 4.841 1.00 . A A . 23 GLY C 1 1 12 4862 1 1 23 GLY CA C -5.284 5.855 4.548 1.00 . A A . 23 GLY CA 1 1 12 4863 1 1 23 GLY H H -5.847 6.615 2.644 1.00 . A A . 23 GLY H 1 1 12 4864 1 1 23 GLY HA2 H -4.346 6.377 4.354 1.00 . A A . 23 GLY HA2 1 1 12 4865 1 1 23 GLY HA3 H -5.762 6.305 5.420 1.00 . A A . 23 GLY HA3 1 1 12 4866 1 1 23 GLY N N -6.156 6.014 3.392 1.00 . A A . 23 GLY N 1 1 12 4867 1 1 23 GLY O O -4.996 3.951 5.992 1.00 . A A . 23 GLY O 1 1 12 4868 1 1 24 THR C C -3.584 1.736 2.752 1.00 . A A . 24 THR C 1 1 12 4869 1 1 24 THR CA C -4.469 2.159 3.921 1.00 . A A . 24 THR CA 1 1 12 4870 1 1 24 THR CB C -5.821 1.424 3.952 1.00 . A A . 24 THR CB 1 1 12 4871 1 1 24 THR CG2 C -5.713 -0.087 3.727 1.00 . A A . 24 THR CG2 1 1 12 4872 1 1 24 THR H H -4.805 3.939 2.860 1.00 . A A . 24 THR H 1 1 12 4873 1 1 24 THR HA H -3.931 1.961 4.847 1.00 . A A . 24 THR HA 1 1 12 4874 1 1 24 THR HB H -6.472 1.836 3.177 1.00 . A A . 24 THR HB 1 1 12 4875 1 1 24 THR HG1 H -6.235 2.523 5.516 1.00 . A A . 24 THR HG1 1 1 12 4876 1 1 24 THR HG21 H -6.701 -0.536 3.836 1.00 . A A . 24 THR HG21 1 1 12 4877 1 1 24 THR HG22 H -5.349 -0.303 2.723 1.00 . A A . 24 THR HG22 1 1 12 4878 1 1 24 THR HG23 H -5.043 -0.532 4.461 1.00 . A A . 24 THR HG23 1 1 12 4879 1 1 24 THR N N -4.711 3.587 3.807 1.00 . A A . 24 THR N 1 1 12 4880 1 1 24 THR O O -3.776 2.204 1.633 1.00 . A A . 24 THR O 1 1 12 4881 1 1 24 THR OG1 O -6.421 1.623 5.217 1.00 . A A . 24 THR OG1 1 1 12 4882 1 1 25 CYS C C -2.490 -1.020 1.524 1.00 . A A . 25 CYS C 1 1 12 4883 1 1 25 CYS CA C -1.798 0.284 1.938 1.00 . A A . 25 CYS CA 1 1 12 4884 1 1 25 CYS CB C -0.301 0.269 2.300 1.00 . A A . 25 CYS CB 1 1 12 4885 1 1 25 CYS H H -2.518 0.468 3.932 1.00 . A A . 25 CYS H 1 1 12 4886 1 1 25 CYS HA H -1.828 0.933 1.068 1.00 . A A . 25 CYS HA 1 1 12 4887 1 1 25 CYS HB3 H -0.124 0.875 3.185 1.00 . A A . 25 CYS HB3 1 1 12 4888 1 1 25 CYS N N -2.597 0.873 3.003 1.00 . A A . 25 CYS N 1 1 12 4889 1 1 25 CYS O O -2.298 -2.092 2.089 1.00 . A A . 25 CYS O 1 1 12 4890 1 1 25 CYS SG S 0.554 -1.283 2.526 1.00 . A A . 25 CYS SG 1 1 12 4891 1 1 26 TYR C C -3.273 -2.815 -0.850 1.00 . A A . 26 TYR C 1 1 12 4892 1 1 26 TYR CA C -4.199 -1.955 0.000 1.00 . A A . 26 TYR CA 1 1 12 4893 1 1 26 TYR CB C -5.276 -1.330 -0.894 1.00 . A A . 26 TYR CB 1 1 12 4894 1 1 26 TYR CD1 C -7.398 -1.473 0.469 1.00 . A A . 26 TYR CD1 1 1 12 4895 1 1 26 TYR CD2 C -6.551 0.721 -0.143 1.00 . A A . 26 TYR CD2 1 1 12 4896 1 1 26 TYR CE1 C -8.540 -0.878 1.032 1.00 . A A . 26 TYR CE1 1 1 12 4897 1 1 26 TYR CE2 C -7.741 1.304 0.319 1.00 . A A . 26 TYR CE2 1 1 12 4898 1 1 26 TYR CG C -6.410 -0.676 -0.136 1.00 . A A . 26 TYR CG 1 1 12 4899 1 1 26 TYR CZ C -8.722 0.512 0.936 1.00 . A A . 26 TYR CZ 1 1 12 4900 1 1 26 TYR H H -3.460 0.021 0.106 1.00 . A A . 26 TYR H 1 1 12 4901 1 1 26 TYR HA H -4.654 -2.557 0.787 1.00 . A A . 26 TYR HA 1 1 12 4902 1 1 26 TYR HB3 H -5.729 -2.108 -1.507 1.00 . A A . 26 TYR HB3 1 1 12 4903 1 1 26 TYR HD1 H -7.297 -2.549 0.478 1.00 . A A . 26 TYR HD1 1 1 12 4904 1 1 26 TYR HD2 H -5.759 1.342 -0.532 1.00 . A A . 26 TYR HD2 1 1 12 4905 1 1 26 TYR HE1 H -9.294 -1.501 1.491 1.00 . A A . 26 TYR HE1 1 1 12 4906 1 1 26 TYR HE2 H -7.905 2.361 0.202 1.00 . A A . 26 TYR HE2 1 1 12 4907 1 1 26 TYR HH H -10.451 0.471 1.838 1.00 . A A . 26 TYR HH 1 1 12 4908 1 1 26 TYR N N -3.418 -0.877 0.578 1.00 . A A . 26 TYR N 1 1 12 4909 1 1 26 TYR O O -2.440 -2.246 -1.559 1.00 . A A . 26 TYR O 1 1 12 4910 1 1 26 TYR OH O -9.859 1.094 1.411 1.00 . A A . 26 TYR OH 1 1 12 4911 1 1 27 CYS C C -3.419 -5.983 -2.483 1.00 . A A . 27 CYS C 1 1 12 4912 1 1 27 CYS CA C -2.596 -5.077 -1.576 1.00 . A A . 27 CYS CA 1 1 12 4913 1 1 27 CYS CB C -1.628 -5.859 -0.684 1.00 . A A . 27 CYS CB 1 1 12 4914 1 1 27 CYS H H -4.137 -4.565 -0.237 1.00 . A A . 27 CYS H 1 1 12 4915 1 1 27 CYS HA H -2.002 -4.492 -2.242 1.00 . A A . 27 CYS HA 1 1 12 4916 1 1 27 CYS HB3 H -0.889 -6.316 -1.335 1.00 . A A . 27 CYS HB3 1 1 12 4917 1 1 27 CYS N N -3.426 -4.148 -0.816 1.00 . A A . 27 CYS N 1 1 12 4918 1 1 27 CYS O O -4.506 -6.404 -2.099 1.00 . A A . 27 CYS O 1 1 12 4919 1 1 27 CYS SG S -0.699 -4.840 0.478 1.00 . A A . 27 CYS SG 1 1 12 4920 1 1 28 LYS C C -3.487 -8.595 -4.151 1.00 . A A . 28 LYS C 1 1 12 4921 1 1 28 LYS CA C -3.596 -7.147 -4.633 1.00 . A A . 28 LYS CA 1 1 12 4922 1 1 28 LYS CB C -3.040 -6.976 -6.057 1.00 . A A . 28 LYS CB 1 1 12 4923 1 1 28 LYS CD C -2.873 -5.357 -8.023 1.00 . A A . 28 LYS CD 1 1 12 4924 1 1 28 LYS CE C -3.070 -3.903 -8.494 1.00 . A A . 28 LYS CE 1 1 12 4925 1 1 28 LYS CG C -3.128 -5.513 -6.516 1.00 . A A . 28 LYS CG 1 1 12 4926 1 1 28 LYS H H -1.972 -5.960 -3.934 1.00 . A A . 28 LYS H 1 1 12 4927 1 1 28 LYS HA H -4.654 -6.881 -4.654 1.00 . A A . 28 LYS HA 1 1 12 4928 1 1 28 LYS HB3 H -3.635 -7.600 -6.726 1.00 . A A . 28 LYS HB3 1 1 12 4929 1 1 28 LYS HD3 H -3.605 -5.977 -8.548 1.00 . A A . 28 LYS HD3 1 1 12 4930 1 1 28 LYS HE3 H -3.991 -3.509 -8.056 1.00 . A A . 28 LYS HE3 1 1 12 4931 1 1 28 LYS HG3 H -2.391 -4.950 -5.955 1.00 . A A . 28 LYS HG3 1 1 12 4932 1 1 28 LYS HZ1 H -1.605 -3.173 -7.202 1.00 . A A . 28 LYS HZ1 1 1 12 4933 1 1 28 LYS HZ2 H -1.160 -3.155 -8.770 1.00 . A A . 28 LYS HZ2 1 1 12 4934 1 1 28 LYS HZ3 H -2.233 -2.043 -8.195 1.00 . A A . 28 LYS HZ3 1 1 12 4935 1 1 28 LYS N N -2.908 -6.271 -3.690 1.00 . A A . 28 LYS N 1 1 12 4936 1 1 28 LYS NZ N -1.939 -3.011 -8.149 1.00 . A A . 28 LYS NZ 1 1 12 4937 1 1 28 LYS O O -4.417 -9.382 -4.307 1.00 . A A . 28 LYS O 1 1 12 4938 1 1 29 THR C C -0.940 -9.822 -1.877 1.00 . A A . 29 THR C 1 1 12 4939 1 1 29 THR CA C -2.157 -10.124 -2.751 1.00 . A A . 29 THR CA 1 1 12 4940 1 1 29 THR CB C -2.008 -11.378 -3.633 1.00 . A A . 29 THR CB 1 1 12 4941 1 1 29 THR CG2 C -0.836 -11.277 -4.616 1.00 . A A . 29 THR CG2 1 1 12 4942 1 1 29 THR H H -1.605 -8.273 -3.397 1.00 . A A . 29 THR H 1 1 12 4943 1 1 29 THR HA H -3.021 -10.256 -2.097 1.00 . A A . 29 THR HA 1 1 12 4944 1 1 29 THR HB H -2.929 -11.510 -4.205 1.00 . A A . 29 THR HB 1 1 12 4945 1 1 29 THR HG1 H -1.942 -13.307 -3.360 1.00 . A A . 29 THR HG1 1 1 12 4946 1 1 29 THR HG21 H -0.793 -12.180 -5.225 1.00 . A A . 29 THR HG21 1 1 12 4947 1 1 29 THR HG22 H -0.970 -10.421 -5.277 1.00 . A A . 29 THR HG22 1 1 12 4948 1 1 29 THR HG23 H 0.107 -11.171 -4.078 1.00 . A A . 29 THR HG23 1 1 12 4949 1 1 29 THR N N -2.349 -8.940 -3.545 1.00 . A A . 29 THR N 1 1 12 4950 1 1 29 THR O O -0.415 -8.706 -1.878 1.00 . A A . 29 THR O 1 1 12 4951 1 1 29 THR OG1 O -1.833 -12.521 -2.816 1.00 . A A . 29 THR OG1 1 1 12 4952 1 1 30 THR C C 1.162 -12.159 0.040 1.00 . A A . 30 THR C 1 1 12 4953 1 1 30 THR CA C 0.608 -10.753 -0.195 1.00 . A A . 30 THR CA 1 1 12 4954 1 1 30 THR CB C 0.168 -10.075 1.117 1.00 . A A . 30 THR CB 1 1 12 4955 1 1 30 THR CG2 C 1.376 -9.666 1.963 1.00 . A A . 30 THR CG2 1 1 12 4956 1 1 30 THR H H -0.959 -11.697 -1.357 1.00 . A A . 30 THR H 1 1 12 4957 1 1 30 THR HA H 1.398 -10.152 -0.651 1.00 . A A . 30 THR HA 1 1 12 4958 1 1 30 THR HB H -0.450 -10.761 1.700 1.00 . A A . 30 THR HB 1 1 12 4959 1 1 30 THR HG1 H -0.255 -8.483 0.069 1.00 . A A . 30 THR HG1 1 1 12 4960 1 1 30 THR HG21 H 1.032 -9.175 2.874 1.00 . A A . 30 THR HG21 1 1 12 4961 1 1 30 THR HG22 H 1.964 -10.541 2.235 1.00 . A A . 30 THR HG22 1 1 12 4962 1 1 30 THR HG23 H 2.007 -8.970 1.407 1.00 . A A . 30 THR HG23 1 1 12 4963 1 1 30 THR N N -0.506 -10.823 -1.131 1.00 . A A . 30 THR N 1 1 12 4964 1 1 30 THR O O 2.358 -12.388 -0.097 1.00 . A A . 30 THR O 1 1 12 4965 1 1 30 THR OG1 O -0.605 -8.921 0.856 1.00 . A A . 30 THR OG1 1 1 12 4966 1 1 31 NH2 HN1 H -0.687 -12.900 0.484 1.00 . A A . 31 NH2 HN1 1 1 12 4967 1 1 31 NH2 HN2 H 0.637 -14.049 0.533 1.00 . A A . 31 NH2 HN2 1 1 12 4968 1 1 31 NH2 N N 0.295 -13.112 0.381 1.00 . A A . 31 NH2 N 1 1 13 4969 1 1 1 PCA C C 0.012 8.458 8.059 1.00 . A A . 1 PCA C 1 1 13 4970 1 1 1 PCA CA C 1.030 9.100 7.119 1.00 . A A . 1 PCA CA 1 1 13 4971 1 1 1 PCA CB C 2.456 8.907 7.651 1.00 . A A . 1 PCA CB 1 1 13 4972 1 1 1 PCA CD C 1.657 11.157 7.945 1.00 . A A . 1 PCA CD 1 1 13 4973 1 1 1 PCA CG C 2.650 10.156 8.512 1.00 . A A . 1 PCA CG 1 1 13 4974 1 1 1 PCA HA H 0.944 8.695 6.111 1.00 . A A . 1 PCA HA 1 1 13 4975 1 1 1 PCA HB2 H 3.159 8.937 6.818 1.00 . A A . 1 PCA HB2 1 1 13 4976 1 1 1 PCA HB3 H 2.581 7.982 8.217 1.00 . A A . 1 PCA HB3 1 1 13 4977 1 1 1 PCA HG2 H 2.397 9.949 9.552 1.00 . A A . 1 PCA HG2 1 1 13 4978 1 1 1 PCA HG3 H 3.674 10.525 8.443 1.00 . A A . 1 PCA HG3 1 1 13 4979 1 1 1 PCA N N 0.826 10.535 7.108 1.00 . A A . 1 PCA N 1 1 13 4980 1 1 1 PCA O O -0.046 8.818 9.231 1.00 . A A . 1 PCA O 1 1 13 4981 1 1 1 PCA OE O 1.753 12.356 8.143 1.00 . A A . 1 PCA OE 1 1 13 4982 1 1 2 THR C C -0.965 5.324 8.513 1.00 . A A . 2 THR C 1 1 13 4983 1 1 2 THR CA C -1.661 6.677 8.355 1.00 . A A . 2 THR CA 1 1 13 4984 1 1 2 THR CB C -3.063 6.670 7.728 1.00 . A A . 2 THR CB 1 1 13 4985 1 1 2 THR CG2 C -4.117 6.008 8.626 1.00 . A A . 2 THR CG2 1 1 13 4986 1 1 2 THR H H -0.654 7.254 6.575 1.00 . A A . 2 THR H 1 1 13 4987 1 1 2 THR HA H -1.782 7.050 9.363 1.00 . A A . 2 THR HA 1 1 13 4988 1 1 2 THR HB H -3.003 6.185 6.758 1.00 . A A . 2 THR HB 1 1 13 4989 1 1 2 THR HG1 H -2.746 8.511 7.176 1.00 . A A . 2 THR HG1 1 1 13 4990 1 1 2 THR HG21 H -5.092 6.060 8.141 1.00 . A A . 2 THR HG21 1 1 13 4991 1 1 2 THR HG22 H -3.886 4.965 8.824 1.00 . A A . 2 THR HG22 1 1 13 4992 1 1 2 THR HG23 H -4.174 6.544 9.574 1.00 . A A . 2 THR HG23 1 1 13 4993 1 1 2 THR N N -0.782 7.515 7.548 1.00 . A A . 2 THR N 1 1 13 4994 1 1 2 THR O O 0.122 5.267 9.082 1.00 . A A . 2 THR O 1 1 13 4995 1 1 2 THR OG1 O -3.488 7.998 7.506 1.00 . A A . 2 THR OG1 1 1 13 4996 1 1 3 GLN C C 0.413 3.282 6.831 1.00 . A A . 3 GLN C 1 1 13 4997 1 1 3 GLN CA C -0.756 3.014 7.783 1.00 . A A . 3 GLN CA 1 1 13 4998 1 1 3 GLN CB C -1.632 1.902 7.202 1.00 . A A . 3 GLN CB 1 1 13 4999 1 1 3 GLN CD C -3.738 0.551 7.467 1.00 . A A . 3 GLN CD 1 1 13 5000 1 1 3 GLN CG C -2.869 1.605 8.053 1.00 . A A . 3 GLN CG 1 1 13 5001 1 1 3 GLN H H -2.417 4.351 7.499 1.00 . A A . 3 GLN H 1 1 13 5002 1 1 3 GLN HA H -0.364 2.687 8.749 1.00 . A A . 3 GLN HA 1 1 13 5003 1 1 3 GLN HB3 H -1.032 0.995 7.120 1.00 . A A . 3 GLN HB3 1 1 13 5004 1 1 3 GLN HE21 H -5.208 1.250 8.665 1.00 . A A . 3 GLN HE21 1 1 13 5005 1 1 3 GLN HE22 H -5.234 -0.392 8.164 1.00 . A A . 3 GLN HE22 1 1 13 5006 1 1 3 GLN HG3 H -3.530 2.454 8.161 1.00 . A A . 3 GLN HG3 1 1 13 5007 1 1 3 GLN N N -1.522 4.248 7.957 1.00 . A A . 3 GLN N 1 1 13 5008 1 1 3 GLN NE2 N -4.936 0.531 8.010 1.00 . A A . 3 GLN NE2 1 1 13 5009 1 1 3 GLN O O 1.488 2.707 6.966 1.00 . A A . 3 GLN O 1 1 13 5010 1 1 3 GLN OE1 O -3.344 -0.266 6.640 1.00 . A A . 3 GLN OE1 1 1 13 5011 1 1 4 CYS C C 0.840 6.048 4.535 1.00 . A A . 4 CYS C 1 1 13 5012 1 1 4 CYS CA C 1.090 4.578 4.821 1.00 . A A . 4 CYS CA 1 1 13 5013 1 1 4 CYS CB C 0.843 3.791 3.537 1.00 . A A . 4 CYS CB 1 1 13 5014 1 1 4 CYS H H -0.748 4.585 5.807 1.00 . A A . 4 CYS H 1 1 13 5015 1 1 4 CYS HA H 2.122 4.441 5.149 1.00 . A A . 4 CYS HA 1 1 13 5016 1 1 4 CYS HB3 H 1.162 2.771 3.693 1.00 . A A . 4 CYS HB3 1 1 13 5017 1 1 4 CYS N N 0.161 4.149 5.848 1.00 . A A . 4 CYS N 1 1 13 5018 1 1 4 CYS O O -0.191 6.601 4.922 1.00 . A A . 4 CYS O 1 1 13 5019 1 1 4 CYS SG S -0.875 3.818 2.947 1.00 . A A . 4 CYS SG 1 1 13 5020 1 1 5 GLN C C 1.425 7.737 1.685 1.00 . A A . 5 GLN C 1 1 13 5021 1 1 5 GLN CA C 1.680 7.941 3.181 1.00 . A A . 5 GLN CA 1 1 13 5022 1 1 5 GLN CB C 2.989 8.707 3.394 1.00 . A A . 5 GLN CB 1 1 13 5023 1 1 5 GLN CD C 4.103 10.892 2.761 1.00 . A A . 5 GLN CD 1 1 13 5024 1 1 5 GLN CG C 2.789 10.196 3.098 1.00 . A A . 5 GLN CG 1 1 13 5025 1 1 5 GLN H H 2.623 6.102 3.591 1.00 . A A . 5 GLN H 1 1 13 5026 1 1 5 GLN HA H 0.867 8.534 3.602 1.00 . A A . 5 GLN HA 1 1 13 5027 1 1 5 GLN HB3 H 3.763 8.288 2.751 1.00 . A A . 5 GLN HB3 1 1 13 5028 1 1 5 GLN HE21 H 4.262 9.906 0.970 1.00 . A A . 5 GLN HE21 1 1 13 5029 1 1 5 GLN HE22 H 5.546 11.041 1.365 1.00 . A A . 5 GLN HE22 1 1 13 5030 1 1 5 GLN HG3 H 2.339 10.673 3.969 1.00 . A A . 5 GLN HG3 1 1 13 5031 1 1 5 GLN N N 1.792 6.649 3.829 1.00 . A A . 5 GLN N 1 1 13 5032 1 1 5 GLN NE2 N 4.676 10.593 1.600 1.00 . A A . 5 GLN NE2 1 1 13 5033 1 1 5 GLN O O 0.636 8.466 1.087 1.00 . A A . 5 GLN O 1 1 13 5034 1 1 5 GLN OE1 O 4.601 11.700 3.537 1.00 . A A . 5 GLN OE1 1 1 13 5035 1 1 6 SER C C 2.371 5.176 -0.738 1.00 . A A . 6 SER C 1 1 13 5036 1 1 6 SER CA C 2.222 6.649 -0.377 1.00 . A A . 6 SER CA 1 1 13 5037 1 1 6 SER CB C 3.433 7.443 -0.899 1.00 . A A . 6 SER CB 1 1 13 5038 1 1 6 SER H H 2.691 6.137 1.641 1.00 . A A . 6 SER H 1 1 13 5039 1 1 6 SER HA H 1.311 7.031 -0.839 1.00 . A A . 6 SER HA 1 1 13 5040 1 1 6 SER HB3 H 3.135 7.986 -1.798 1.00 . A A . 6 SER HB3 1 1 13 5041 1 1 6 SER HG H 4.217 7.801 0.831 1.00 . A A . 6 SER HG 1 1 13 5042 1 1 6 SER N N 2.124 6.776 1.072 1.00 . A A . 6 SER N 1 1 13 5043 1 1 6 SER O O 2.770 4.377 0.097 1.00 . A A . 6 SER O 1 1 13 5044 1 1 6 SER OG O 3.951 8.335 0.072 1.00 . A A . 6 SER OG 1 1 13 5045 1 1 7 VAL C C 3.552 2.777 -2.053 1.00 . A A . 7 VAL C 1 1 13 5046 1 1 7 VAL CA C 2.189 3.403 -2.401 1.00 . A A . 7 VAL CA 1 1 13 5047 1 1 7 VAL CB C 1.844 3.345 -3.897 1.00 . A A . 7 VAL CB 1 1 13 5048 1 1 7 VAL CG1 C 2.935 3.933 -4.801 1.00 . A A . 7 VAL CG1 1 1 13 5049 1 1 7 VAL CG2 C 1.539 1.909 -4.294 1.00 . A A . 7 VAL CG2 1 1 13 5050 1 1 7 VAL H H 1.752 5.437 -2.675 1.00 . A A . 7 VAL H 1 1 13 5051 1 1 7 VAL HA H 1.421 2.861 -1.835 1.00 . A A . 7 VAL HA 1 1 13 5052 1 1 7 VAL HB H 0.929 3.918 -4.058 1.00 . A A . 7 VAL HB 1 1 13 5053 1 1 7 VAL HG11 H 3.841 3.326 -4.758 1.00 . A A . 7 VAL HG11 1 1 13 5054 1 1 7 VAL HG12 H 2.581 3.948 -5.831 1.00 . A A . 7 VAL HG12 1 1 13 5055 1 1 7 VAL HG13 H 3.171 4.954 -4.500 1.00 . A A . 7 VAL HG13 1 1 13 5056 1 1 7 VAL HG21 H 0.735 1.546 -3.655 1.00 . A A . 7 VAL HG21 1 1 13 5057 1 1 7 VAL HG22 H 1.217 1.886 -5.333 1.00 . A A . 7 VAL HG22 1 1 13 5058 1 1 7 VAL HG23 H 2.427 1.294 -4.164 1.00 . A A . 7 VAL HG23 1 1 13 5059 1 1 7 VAL N N 2.102 4.791 -1.986 1.00 . A A . 7 VAL N 1 1 13 5060 1 1 7 VAL O O 3.618 1.605 -1.694 1.00 . A A . 7 VAL O 1 1 13 5061 1 1 8 ARG C C 6.006 2.530 -0.306 1.00 . A A . 8 ARG C 1 1 13 5062 1 1 8 ARG CA C 5.971 3.174 -1.696 1.00 . A A . 8 ARG CA 1 1 13 5063 1 1 8 ARG CB C 6.925 4.374 -1.757 1.00 . A A . 8 ARG CB 1 1 13 5064 1 1 8 ARG CD C 8.272 5.889 -3.254 1.00 . A A . 8 ARG CD 1 1 13 5065 1 1 8 ARG CG C 7.315 4.690 -3.206 1.00 . A A . 8 ARG CG 1 1 13 5066 1 1 8 ARG CZ C 8.413 6.459 -5.695 1.00 . A A . 8 ARG CZ 1 1 13 5067 1 1 8 ARG H H 4.488 4.512 -2.437 1.00 . A A . 8 ARG H 1 1 13 5068 1 1 8 ARG HA H 6.333 2.422 -2.395 1.00 . A A . 8 ARG HA 1 1 13 5069 1 1 8 ARG HB3 H 7.833 4.118 -1.209 1.00 . A A . 8 ARG HB3 1 1 13 5070 1 1 8 ARG HD3 H 9.048 5.737 -2.500 1.00 . A A . 8 ARG HD3 1 1 13 5071 1 1 8 ARG HE H 9.919 5.696 -4.566 1.00 . A A . 8 ARG HE 1 1 13 5072 1 1 8 ARG HG3 H 6.420 4.882 -3.798 1.00 . A A . 8 ARG HG3 1 1 13 5073 1 1 8 ARG HH11 H 6.602 6.805 -4.860 1.00 . A A . 8 ARG HH11 1 1 13 5074 1 1 8 ARG HH12 H 6.695 7.211 -6.549 1.00 . A A . 8 ARG HH12 1 1 13 5075 1 1 8 ARG HH21 H 10.112 6.210 -6.808 1.00 . A A . 8 ARG HH21 1 1 13 5076 1 1 8 ARG HH22 H 8.761 6.853 -7.680 1.00 . A A . 8 ARG HH22 1 1 13 5077 1 1 8 ARG N N 4.628 3.571 -2.111 1.00 . A A . 8 ARG N 1 1 13 5078 1 1 8 ARG NE N 8.955 5.999 -4.556 1.00 . A A . 8 ARG NE 1 1 13 5079 1 1 8 ARG NH1 N 7.138 6.864 -5.711 1.00 . A A . 8 ARG NH1 1 1 13 5080 1 1 8 ARG NH2 N 9.148 6.513 -6.811 1.00 . A A . 8 ARG NH2 1 1 13 5081 1 1 8 ARG O O 6.735 1.561 -0.105 1.00 . A A . 8 ARG O 1 1 13 5082 1 1 9 ASP C C 4.616 0.986 1.766 1.00 . A A . 9 ASP C 1 1 13 5083 1 1 9 ASP CA C 5.087 2.427 1.957 1.00 . A A . 9 ASP CA 1 1 13 5084 1 1 9 ASP CB C 4.063 3.259 2.729 1.00 . A A . 9 ASP CB 1 1 13 5085 1 1 9 ASP CG C 4.592 4.630 3.108 1.00 . A A . 9 ASP CG 1 1 13 5086 1 1 9 ASP H H 4.556 3.778 0.462 1.00 . A A . 9 ASP H 1 1 13 5087 1 1 9 ASP HA H 6.043 2.438 2.479 1.00 . A A . 9 ASP HA 1 1 13 5088 1 1 9 ASP HB3 H 3.687 2.770 3.610 1.00 . A A . 9 ASP HB3 1 1 13 5089 1 1 9 ASP N N 5.221 3.034 0.648 1.00 . A A . 9 ASP N 1 1 13 5090 1 1 9 ASP O O 5.243 0.034 2.242 1.00 . A A . 9 ASP O 1 1 13 5091 1 1 9 ASP OD1 O 5.601 4.680 3.836 1.00 . A A . 9 ASP OD1 1 1 13 5092 1 1 9 ASP OD2 O 3.954 5.609 2.662 1.00 . A A . 9 ASP OD2 1 1 13 5093 1 1 10 CYS C C 4.140 -1.329 -0.055 1.00 . A A . 10 CYS C 1 1 13 5094 1 1 10 CYS CA C 3.087 -0.525 0.686 1.00 . A A . 10 CYS CA 1 1 13 5095 1 1 10 CYS CB C 1.755 -0.643 -0.065 1.00 . A A . 10 CYS CB 1 1 13 5096 1 1 10 CYS H H 3.131 1.613 0.520 1.00 . A A . 10 CYS H 1 1 13 5097 1 1 10 CYS HA H 2.971 -1.012 1.650 1.00 . A A . 10 CYS HA 1 1 13 5098 1 1 10 CYS HB3 H 2.026 -0.970 -1.031 1.00 . A A . 10 CYS HB3 1 1 13 5099 1 1 10 CYS N N 3.538 0.818 0.992 1.00 . A A . 10 CYS N 1 1 13 5100 1 1 10 CYS O O 4.190 -2.529 0.140 1.00 . A A . 10 CYS O 1 1 13 5101 1 1 10 CYS SG S 0.643 -1.858 0.689 1.00 . A A . 10 CYS SG 1 1 13 5102 1 1 11 GLN C C 6.948 -2.181 -0.672 1.00 . A A . 11 GLN C 1 1 13 5103 1 1 11 GLN CA C 5.974 -1.497 -1.644 1.00 . A A . 11 GLN CA 1 1 13 5104 1 1 11 GLN CB C 6.723 -0.633 -2.666 1.00 . A A . 11 GLN CB 1 1 13 5105 1 1 11 GLN CD C 6.548 0.739 -4.788 1.00 . A A . 11 GLN CD 1 1 13 5106 1 1 11 GLN CG C 5.809 -0.168 -3.809 1.00 . A A . 11 GLN CG 1 1 13 5107 1 1 11 GLN H H 4.823 0.258 -1.117 1.00 . A A . 11 GLN H 1 1 13 5108 1 1 11 GLN HA H 5.469 -2.295 -2.195 1.00 . A A . 11 GLN HA 1 1 13 5109 1 1 11 GLN HB3 H 7.526 -1.236 -3.094 1.00 . A A . 11 GLN HB3 1 1 13 5110 1 1 11 GLN HE21 H 7.816 -0.758 -5.327 1.00 . A A . 11 GLN HE21 1 1 13 5111 1 1 11 GLN HE22 H 8.058 0.784 -6.127 1.00 . A A . 11 GLN HE22 1 1 13 5112 1 1 11 GLN HG3 H 4.960 0.379 -3.407 1.00 . A A . 11 GLN HG3 1 1 13 5113 1 1 11 GLN N N 4.951 -0.731 -0.930 1.00 . A A . 11 GLN N 1 1 13 5114 1 1 11 GLN NE2 N 7.558 0.208 -5.470 1.00 . A A . 11 GLN NE2 1 1 13 5115 1 1 11 GLN O O 7.556 -3.186 -1.029 1.00 . A A . 11 GLN O 1 1 13 5116 1 1 11 GLN OE1 O 6.219 1.912 -4.935 1.00 . A A . 11 GLN OE1 1 1 13 5117 1 1 12 GLN C C 6.959 -3.463 2.194 1.00 . A A . 12 GLN C 1 1 13 5118 1 1 12 GLN CA C 7.831 -2.349 1.602 1.00 . A A . 12 GLN CA 1 1 13 5119 1 1 12 GLN CB C 8.259 -1.354 2.689 1.00 . A A . 12 GLN CB 1 1 13 5120 1 1 12 GLN CD C 9.484 0.805 3.183 1.00 . A A . 12 GLN CD 1 1 13 5121 1 1 12 GLN CG C 9.117 -0.217 2.114 1.00 . A A . 12 GLN CG 1 1 13 5122 1 1 12 GLN H H 6.592 -0.812 0.792 1.00 . A A . 12 GLN H 1 1 13 5123 1 1 12 GLN HA H 8.734 -2.799 1.187 1.00 . A A . 12 GLN HA 1 1 13 5124 1 1 12 GLN HB3 H 8.843 -1.886 3.443 1.00 . A A . 12 GLN HB3 1 1 13 5125 1 1 12 GLN HE21 H 7.531 1.295 3.475 1.00 . A A . 12 GLN HE21 1 1 13 5126 1 1 12 GLN HE22 H 8.695 2.175 4.443 1.00 . A A . 12 GLN HE22 1 1 13 5127 1 1 12 GLN HG3 H 8.580 0.306 1.325 1.00 . A A . 12 GLN HG3 1 1 13 5128 1 1 12 GLN N N 7.098 -1.656 0.549 1.00 . A A . 12 GLN N 1 1 13 5129 1 1 12 GLN NE2 N 8.486 1.475 3.750 1.00 . A A . 12 GLN NE2 1 1 13 5130 1 1 12 GLN O O 7.423 -4.582 2.398 1.00 . A A . 12 GLN O 1 1 13 5131 1 1 12 GLN OE1 O 10.655 0.997 3.494 1.00 . A A . 12 GLN OE1 1 1 13 5132 1 1 13 TYR C C 4.423 -5.305 2.385 1.00 . A A . 13 TYR C 1 1 13 5133 1 1 13 TYR CA C 4.771 -4.042 3.186 1.00 . A A . 13 TYR CA 1 1 13 5134 1 1 13 TYR CB C 3.486 -3.261 3.478 1.00 . A A . 13 TYR CB 1 1 13 5135 1 1 13 TYR CD1 C 2.963 -4.061 5.824 1.00 . A A . 13 TYR CD1 1 1 13 5136 1 1 13 TYR CD2 C 1.269 -4.325 4.099 1.00 . A A . 13 TYR CD2 1 1 13 5137 1 1 13 TYR CE1 C 2.097 -4.649 6.761 1.00 . A A . 13 TYR CE1 1 1 13 5138 1 1 13 TYR CE2 C 0.400 -4.907 5.037 1.00 . A A . 13 TYR CE2 1 1 13 5139 1 1 13 TYR CG C 2.556 -3.908 4.486 1.00 . A A . 13 TYR CG 1 1 13 5140 1 1 13 TYR CZ C 0.818 -5.075 6.367 1.00 . A A . 13 TYR CZ 1 1 13 5141 1 1 13 TYR H H 5.389 -2.200 2.285 1.00 . A A . 13 TYR H 1 1 13 5142 1 1 13 TYR HA H 5.233 -4.343 4.127 1.00 . A A . 13 TYR HA 1 1 13 5143 1 1 13 TYR HB3 H 2.951 -3.127 2.538 1.00 . A A . 13 TYR HB3 1 1 13 5144 1 1 13 TYR HD1 H 3.940 -3.723 6.137 1.00 . A A . 13 TYR HD1 1 1 13 5145 1 1 13 TYR HD2 H 0.930 -4.177 3.085 1.00 . A A . 13 TYR HD2 1 1 13 5146 1 1 13 TYR HE1 H 2.412 -4.771 7.788 1.00 . A A . 13 TYR HE1 1 1 13 5147 1 1 13 TYR HE2 H -0.588 -5.213 4.725 1.00 . A A . 13 TYR HE2 1 1 13 5148 1 1 13 TYR HH H -0.871 -5.878 6.914 1.00 . A A . 13 TYR HH 1 1 13 5149 1 1 13 TYR N N 5.699 -3.143 2.497 1.00 . A A . 13 TYR N 1 1 13 5150 1 1 13 TYR O O 4.234 -6.379 2.950 1.00 . A A . 13 TYR O 1 1 13 5151 1 1 13 TYR OH O -0.021 -5.636 7.284 1.00 . A A . 13 TYR OH 1 1 13 5152 1 1 14 CYS C C 4.541 -6.124 -1.113 1.00 . A A . 14 CYS C 1 1 13 5153 1 1 14 CYS CA C 3.668 -6.074 0.131 1.00 . A A . 14 CYS CA 1 1 13 5154 1 1 14 CYS CB C 2.257 -5.613 -0.272 1.00 . A A . 14 CYS CB 1 1 13 5155 1 1 14 CYS H H 4.529 -4.235 0.715 1.00 . A A . 14 CYS H 1 1 13 5156 1 1 14 CYS HA H 3.615 -7.065 0.579 1.00 . A A . 14 CYS HA 1 1 13 5157 1 1 14 CYS HB3 H 1.948 -6.053 -1.222 1.00 . A A . 14 CYS HB3 1 1 13 5158 1 1 14 CYS N N 4.259 -5.135 1.074 1.00 . A A . 14 CYS N 1 1 13 5159 1 1 14 CYS O O 5.019 -5.096 -1.583 1.00 . A A . 14 CYS O 1 1 13 5160 1 1 14 CYS SG S 0.959 -6.050 0.908 1.00 . A A . 14 CYS SG 1 1 13 5161 1 1 15 LEU C C 4.558 -7.079 -4.128 1.00 . A A . 15 LEU C 1 1 13 5162 1 1 15 LEU CA C 5.411 -7.517 -2.933 1.00 . A A . 15 LEU CA 1 1 13 5163 1 1 15 LEU CB C 5.831 -8.991 -3.069 1.00 . A A . 15 LEU CB 1 1 13 5164 1 1 15 LEU CD1 C 8.353 -8.753 -2.751 1.00 . A A . 15 LEU CD1 1 1 13 5165 1 1 15 LEU CD2 C 6.911 -9.142 -0.737 1.00 . A A . 15 LEU CD2 1 1 13 5166 1 1 15 LEU CG C 7.062 -9.407 -2.239 1.00 . A A . 15 LEU CG 1 1 13 5167 1 1 15 LEU H H 4.177 -8.100 -1.291 1.00 . A A . 15 LEU H 1 1 13 5168 1 1 15 LEU HA H 6.301 -6.890 -2.943 1.00 . A A . 15 LEU HA 1 1 13 5169 1 1 15 LEU HB3 H 6.068 -9.190 -4.116 1.00 . A A . 15 LEU HB3 1 1 13 5170 1 1 15 LEU HD11 H 8.353 -7.682 -2.554 1.00 . A A . 15 LEU HD11 1 1 13 5171 1 1 15 LEU HD12 H 9.209 -9.197 -2.243 1.00 . A A . 15 LEU HD12 1 1 13 5172 1 1 15 LEU HD13 H 8.457 -8.922 -3.823 1.00 . A A . 15 LEU HD13 1 1 13 5173 1 1 15 LEU HD21 H 6.933 -8.072 -0.530 1.00 . A A . 15 LEU HD21 1 1 13 5174 1 1 15 LEU HD22 H 5.974 -9.564 -0.379 1.00 . A A . 15 LEU HD22 1 1 13 5175 1 1 15 LEU HD23 H 7.735 -9.613 -0.202 1.00 . A A . 15 LEU HD23 1 1 13 5176 1 1 15 LEU HG H 7.175 -10.484 -2.371 1.00 . A A . 15 LEU HG 1 1 13 5177 1 1 15 LEU N N 4.689 -7.317 -1.687 1.00 . A A . 15 LEU N 1 1 13 5178 1 1 15 LEU O O 5.082 -6.927 -5.229 1.00 . A A . 15 LEU O 1 1 13 5179 1 1 16 THR C C 1.198 -5.602 -4.546 1.00 . A A . 16 THR C 1 1 13 5180 1 1 16 THR CA C 2.376 -6.454 -5.045 1.00 . A A . 16 THR CA 1 1 13 5181 1 1 16 THR CB C 1.925 -7.670 -5.873 1.00 . A A . 16 THR CB 1 1 13 5182 1 1 16 THR CG2 C 1.378 -7.212 -7.225 1.00 . A A . 16 THR CG2 1 1 13 5183 1 1 16 THR H H 2.828 -7.111 -3.059 1.00 . A A . 16 THR H 1 1 13 5184 1 1 16 THR HA H 2.952 -5.806 -5.709 1.00 . A A . 16 THR HA 1 1 13 5185 1 1 16 THR HB H 1.154 -8.225 -5.332 1.00 . A A . 16 THR HB 1 1 13 5186 1 1 16 THR HG1 H 3.818 -8.016 -6.190 1.00 . A A . 16 THR HG1 1 1 13 5187 1 1 16 THR HG21 H 2.167 -6.725 -7.798 1.00 . A A . 16 THR HG21 1 1 13 5188 1 1 16 THR HG22 H 1.005 -8.072 -7.779 1.00 . A A . 16 THR HG22 1 1 13 5189 1 1 16 THR HG23 H 0.568 -6.506 -7.065 1.00 . A A . 16 THR HG23 1 1 13 5190 1 1 16 THR N N 3.241 -6.899 -3.956 1.00 . A A . 16 THR N 1 1 13 5191 1 1 16 THR O O 0.047 -6.053 -4.548 1.00 . A A . 16 THR O 1 1 13 5192 1 1 16 THR OG1 O 3.009 -8.541 -6.123 1.00 . A A . 16 THR OG1 1 1 13 5193 1 1 17 PRO C C -0.601 -3.061 -4.660 1.00 . A A . 17 PRO C 1 1 13 5194 1 1 17 PRO CA C 0.421 -3.507 -3.610 1.00 . A A . 17 PRO CA 1 1 13 5195 1 1 17 PRO CB C 1.099 -2.360 -2.851 1.00 . A A . 17 PRO CB 1 1 13 5196 1 1 17 PRO CD C 2.698 -3.925 -3.506 1.00 . A A . 17 PRO CD 1 1 13 5197 1 1 17 PRO CG C 2.583 -2.478 -3.122 1.00 . A A . 17 PRO CG 1 1 13 5198 1 1 17 PRO HA H -0.040 -4.116 -2.844 1.00 . A A . 17 PRO HA 1 1 13 5199 1 1 17 PRO HB3 H 0.859 -2.442 -1.799 1.00 . A A . 17 PRO HB3 1 1 13 5200 1 1 17 PRO HD3 H 2.671 -4.342 -2.530 1.00 . A A . 17 PRO HD3 1 1 13 5201 1 1 17 PRO HG3 H 3.189 -2.291 -2.248 1.00 . A A . 17 PRO HG3 1 1 13 5202 1 1 17 PRO N N 1.462 -4.357 -4.116 1.00 . A A . 17 PRO N 1 1 13 5203 1 1 17 PRO O O -0.486 -3.309 -5.869 1.00 . A A . 17 PRO O 1 1 13 5204 1 1 18 ASP C C -2.559 -0.251 -4.776 1.00 . A A . 18 ASP C 1 1 13 5205 1 1 18 ASP CA C -2.667 -1.750 -4.937 1.00 . A A . 18 ASP CA 1 1 13 5206 1 1 18 ASP CB C -4.061 -2.280 -4.581 1.00 . A A . 18 ASP CB 1 1 13 5207 1 1 18 ASP CG C -4.984 -2.101 -5.773 1.00 . A A . 18 ASP CG 1 1 13 5208 1 1 18 ASP H H -1.675 -2.262 -3.155 1.00 . A A . 18 ASP H 1 1 13 5209 1 1 18 ASP HA H -2.466 -1.921 -5.979 1.00 . A A . 18 ASP HA 1 1 13 5210 1 1 18 ASP HB3 H -4.476 -1.749 -3.730 1.00 . A A . 18 ASP HB3 1 1 13 5211 1 1 18 ASP N N -1.639 -2.398 -4.156 1.00 . A A . 18 ASP N 1 1 13 5212 1 1 18 ASP O O -2.202 0.445 -5.724 1.00 . A A . 18 ASP O 1 1 13 5213 1 1 18 ASP OD1 O -4.626 -2.678 -6.827 1.00 . A A . 18 ASP OD1 1 1 13 5214 1 1 18 ASP OD2 O -5.981 -1.365 -5.626 1.00 . A A . 18 ASP OD2 1 1 13 5215 1 1 19 ARG C C -2.572 1.926 -1.863 1.00 . A A . 19 ARG C 1 1 13 5216 1 1 19 ARG CA C -2.827 1.663 -3.333 1.00 . A A . 19 ARG CA 1 1 13 5217 1 1 19 ARG CB C -4.176 2.268 -3.730 1.00 . A A . 19 ARG CB 1 1 13 5218 1 1 19 ARG CD C -6.684 2.049 -3.972 1.00 . A A . 19 ARG CD 1 1 13 5219 1 1 19 ARG CG C -5.392 1.394 -3.466 1.00 . A A . 19 ARG CG 1 1 13 5220 1 1 19 ARG CZ C -9.112 2.093 -3.450 1.00 . A A . 19 ARG CZ 1 1 13 5221 1 1 19 ARG H H -3.184 -0.335 -2.816 1.00 . A A . 19 ARG H 1 1 13 5222 1 1 19 ARG HA H -2.036 2.142 -3.913 1.00 . A A . 19 ARG HA 1 1 13 5223 1 1 19 ARG HB3 H -4.159 2.615 -4.764 1.00 . A A . 19 ARG HB3 1 1 13 5224 1 1 19 ARG HD3 H -6.819 1.707 -5.001 1.00 . A A . 19 ARG HD3 1 1 13 5225 1 1 19 ARG HE H -7.699 1.115 -2.344 1.00 . A A . 19 ARG HE 1 1 13 5226 1 1 19 ARG HG3 H -5.390 1.179 -2.409 1.00 . A A . 19 ARG HG3 1 1 13 5227 1 1 19 ARG HH11 H -8.572 2.899 -5.231 1.00 . A A . 19 ARG HH11 1 1 13 5228 1 1 19 ARG HH12 H -10.262 3.051 -4.867 1.00 . A A . 19 ARG HH12 1 1 13 5229 1 1 19 ARG HH21 H -9.986 1.485 -1.673 1.00 . A A . 19 ARG HH21 1 1 13 5230 1 1 19 ARG HH22 H -11.072 2.116 -2.859 1.00 . A A . 19 ARG HH22 1 1 13 5231 1 1 19 ARG N N -2.839 0.247 -3.573 1.00 . A A . 19 ARG N 1 1 13 5232 1 1 19 ARG NE N -7.862 1.694 -3.157 1.00 . A A . 19 ARG NE 1 1 13 5233 1 1 19 ARG NH1 N -9.342 2.736 -4.600 1.00 . A A . 19 ARG NH1 1 1 13 5234 1 1 19 ARG NH2 N -10.129 1.871 -2.606 1.00 . A A . 19 ARG NH2 1 1 13 5235 1 1 19 ARG O O -3.123 1.249 -1.003 1.00 . A A . 19 ARG O 1 1 13 5236 1 1 20 CYS C C -3.230 4.588 -0.522 1.00 . A A . 20 CYS C 1 1 13 5237 1 1 20 CYS CA C -2.001 3.702 -0.338 1.00 . A A . 20 CYS CA 1 1 13 5238 1 1 20 CYS CB C -0.752 4.509 0.000 1.00 . A A . 20 CYS CB 1 1 13 5239 1 1 20 CYS H H -1.535 3.529 -2.391 1.00 . A A . 20 CYS H 1 1 13 5240 1 1 20 CYS HA H -2.171 3.008 0.479 1.00 . A A . 20 CYS HA 1 1 13 5241 1 1 20 CYS HB3 H -0.550 5.222 -0.795 1.00 . A A . 20 CYS HB3 1 1 13 5242 1 1 20 CYS N N -1.836 2.995 -1.593 1.00 . A A . 20 CYS N 1 1 13 5243 1 1 20 CYS O O -3.211 5.494 -1.353 1.00 . A A . 20 CYS O 1 1 13 5244 1 1 20 CYS SG S -0.958 5.376 1.572 1.00 . A A . 20 CYS SG 1 1 13 5245 1 1 21 SER C C -6.521 4.693 1.102 1.00 . A A . 21 SER C 1 1 13 5246 1 1 21 SER CA C -5.629 4.892 -0.119 1.00 . A A . 21 SER CA 1 1 13 5247 1 1 21 SER CB C -6.239 4.306 -1.398 1.00 . A A . 21 SER CB 1 1 13 5248 1 1 21 SER H H -4.361 3.457 0.753 1.00 . A A . 21 SER H 1 1 13 5249 1 1 21 SER HA H -5.484 5.967 -0.245 1.00 . A A . 21 SER HA 1 1 13 5250 1 1 21 SER HB3 H -7.319 4.422 -1.354 1.00 . A A . 21 SER HB3 1 1 13 5251 1 1 21 SER HG H -4.822 5.294 -2.311 1.00 . A A . 21 SER HG 1 1 13 5252 1 1 21 SER N N -4.348 4.255 0.124 1.00 . A A . 21 SER N 1 1 13 5253 1 1 21 SER O O -6.441 3.657 1.754 1.00 . A A . 21 SER O 1 1 13 5254 1 1 21 SER OG O -5.737 5.037 -2.498 1.00 . A A . 21 SER OG 1 1 13 5255 1 1 22 TYR C C -7.113 5.501 3.912 1.00 . A A . 22 TYR C 1 1 13 5256 1 1 22 TYR CA C -8.044 5.772 2.719 1.00 . A A . 22 TYR CA 1 1 13 5257 1 1 22 TYR CB C -9.266 4.838 2.692 1.00 . A A . 22 TYR CB 1 1 13 5258 1 1 22 TYR CD1 C -11.253 6.231 1.987 1.00 . A A . 22 TYR CD1 1 1 13 5259 1 1 22 TYR CD2 C -10.379 4.583 0.422 1.00 . A A . 22 TYR CD2 1 1 13 5260 1 1 22 TYR CE1 C -12.248 6.583 1.060 1.00 . A A . 22 TYR CE1 1 1 13 5261 1 1 22 TYR CE2 C -11.375 4.938 -0.506 1.00 . A A . 22 TYR CE2 1 1 13 5262 1 1 22 TYR CG C -10.319 5.226 1.673 1.00 . A A . 22 TYR CG 1 1 13 5263 1 1 22 TYR CZ C -12.313 5.935 -0.182 1.00 . A A . 22 TYR CZ 1 1 13 5264 1 1 22 TYR H H -7.352 6.523 0.858 1.00 . A A . 22 TYR H 1 1 13 5265 1 1 22 TYR HA H -8.410 6.792 2.839 1.00 . A A . 22 TYR HA 1 1 13 5266 1 1 22 TYR HB3 H -9.742 4.859 3.675 1.00 . A A . 22 TYR HB3 1 1 13 5267 1 1 22 TYR HD1 H -11.214 6.729 2.945 1.00 . A A . 22 TYR HD1 1 1 13 5268 1 1 22 TYR HD2 H -9.671 3.811 0.174 1.00 . A A . 22 TYR HD2 1 1 13 5269 1 1 22 TYR HE1 H -12.971 7.347 1.307 1.00 . A A . 22 TYR HE1 1 1 13 5270 1 1 22 TYR HE2 H -11.418 4.439 -1.462 1.00 . A A . 22 TYR HE2 1 1 13 5271 1 1 22 TYR HH H -13.268 5.771 -1.883 1.00 . A A . 22 TYR HH 1 1 13 5272 1 1 22 TYR N N -7.318 5.708 1.452 1.00 . A A . 22 TYR N 1 1 13 5273 1 1 22 TYR O O -7.519 4.920 4.913 1.00 . A A . 22 TYR O 1 1 13 5274 1 1 22 TYR OH O -13.292 6.275 -1.068 1.00 . A A . 22 TYR OH 1 1 13 5275 1 1 23 GLY C C -4.458 4.272 5.077 1.00 . A A . 23 GLY C 1 1 13 5276 1 1 23 GLY CA C -4.844 5.739 4.836 1.00 . A A . 23 GLY CA 1 1 13 5277 1 1 23 GLY H H -5.576 6.417 2.963 1.00 . A A . 23 GLY H 1 1 13 5278 1 1 23 GLY HA2 H -3.948 6.284 4.538 1.00 . A A . 23 GLY HA2 1 1 13 5279 1 1 23 GLY HA3 H -5.220 6.168 5.764 1.00 . A A . 23 GLY HA3 1 1 13 5280 1 1 23 GLY N N -5.849 5.924 3.799 1.00 . A A . 23 GLY N 1 1 13 5281 1 1 23 GLY O O -3.762 3.981 6.051 1.00 . A A . 23 GLY O 1 1 13 5282 1 1 24 THR C C -3.771 1.586 2.995 1.00 . A A . 24 THR C 1 1 13 5283 1 1 24 THR CA C -4.608 1.940 4.219 1.00 . A A . 24 THR CA 1 1 13 5284 1 1 24 THR CB C -5.948 1.186 4.227 1.00 . A A . 24 THR CB 1 1 13 5285 1 1 24 THR CG2 C -5.796 -0.334 4.110 1.00 . A A . 24 THR CG2 1 1 13 5286 1 1 24 THR H H -5.428 3.679 3.401 1.00 . A A . 24 THR H 1 1 13 5287 1 1 24 THR HA H -4.046 1.687 5.112 1.00 . A A . 24 THR HA 1 1 13 5288 1 1 24 THR HB H -6.554 1.527 3.385 1.00 . A A . 24 THR HB 1 1 13 5289 1 1 24 THR HG1 H -6.097 1.216 6.174 1.00 . A A . 24 THR HG1 1 1 13 5290 1 1 24 THR HG21 H -5.155 -0.718 4.902 1.00 . A A . 24 THR HG21 1 1 13 5291 1 1 24 THR HG22 H -6.779 -0.799 4.197 1.00 . A A . 24 THR HG22 1 1 13 5292 1 1 24 THR HG23 H -5.374 -0.605 3.142 1.00 . A A . 24 THR HG23 1 1 13 5293 1 1 24 THR N N -4.874 3.368 4.185 1.00 . A A . 24 THR N 1 1 13 5294 1 1 24 THR O O -4.065 2.055 1.896 1.00 . A A . 24 THR O 1 1 13 5295 1 1 24 THR OG1 O -6.639 1.478 5.423 1.00 . A A . 24 THR OG1 1 1 13 5296 1 1 25 CYS C C -2.591 -1.032 1.551 1.00 . A A . 25 CYS C 1 1 13 5297 1 1 25 CYS CA C -1.944 0.265 2.054 1.00 . A A . 25 CYS CA 1 1 13 5298 1 1 25 CYS CB C -0.436 0.288 2.369 1.00 . A A . 25 CYS CB 1 1 13 5299 1 1 25 CYS H H -2.557 0.379 4.090 1.00 . A A . 25 CYS H 1 1 13 5300 1 1 25 CYS HA H -2.017 0.976 1.239 1.00 . A A . 25 CYS HA 1 1 13 5301 1 1 25 CYS HB3 H -0.255 0.930 3.226 1.00 . A A . 25 CYS HB3 1 1 13 5302 1 1 25 CYS N N -2.731 0.766 3.173 1.00 . A A . 25 CYS N 1 1 13 5303 1 1 25 CYS O O -2.317 -2.142 1.999 1.00 . A A . 25 CYS O 1 1 13 5304 1 1 25 CYS SG S 0.454 -1.236 2.653 1.00 . A A . 25 CYS SG 1 1 13 5305 1 1 26 TYR C C -3.239 -2.696 -0.894 1.00 . A A . 26 TYR C 1 1 13 5306 1 1 26 TYR CA C -4.248 -1.920 -0.061 1.00 . A A . 26 TYR CA 1 1 13 5307 1 1 26 TYR CB C -5.253 -1.282 -1.023 1.00 . A A . 26 TYR CB 1 1 13 5308 1 1 26 TYR CD1 C -7.646 -1.561 -0.296 1.00 . A A . 26 TYR CD1 1 1 13 5309 1 1 26 TYR CD2 C -6.598 0.618 -0.031 1.00 . A A . 26 TYR CD2 1 1 13 5310 1 1 26 TYR CE1 C -8.900 -0.994 -0.019 1.00 . A A . 26 TYR CE1 1 1 13 5311 1 1 26 TYR CE2 C -7.863 1.193 0.174 1.00 . A A . 26 TYR CE2 1 1 13 5312 1 1 26 TYR CG C -6.504 -0.741 -0.371 1.00 . A A . 26 TYR CG 1 1 13 5313 1 1 26 TYR CZ C -9.012 0.390 0.176 1.00 . A A . 26 TYR CZ 1 1 13 5314 1 1 26 TYR H H -3.693 0.089 0.306 1.00 . A A . 26 TYR H 1 1 13 5315 1 1 26 TYR HA H -4.756 -2.583 0.643 1.00 . A A . 26 TYR HA 1 1 13 5316 1 1 26 TYR HB3 H -5.574 -2.019 -1.754 1.00 . A A . 26 TYR HB3 1 1 13 5317 1 1 26 TYR HD1 H -7.580 -2.609 -0.549 1.00 . A A . 26 TYR HD1 1 1 13 5318 1 1 26 TYR HD2 H -5.719 1.244 -0.035 1.00 . A A . 26 TYR HD2 1 1 13 5319 1 1 26 TYR HE1 H -9.783 -1.616 -0.072 1.00 . A A . 26 TYR HE1 1 1 13 5320 1 1 26 TYR HE2 H -7.951 2.254 0.328 1.00 . A A . 26 TYR HE2 1 1 13 5321 1 1 26 TYR HH H -10.946 0.432 0.299 1.00 . A A . 26 TYR HH 1 1 13 5322 1 1 26 TYR N N -3.560 -0.857 0.652 1.00 . A A . 26 TYR N 1 1 13 5323 1 1 26 TYR O O -2.413 -2.055 -1.549 1.00 . A A . 26 TYR O 1 1 13 5324 1 1 26 TYR OH O -10.223 0.990 -0.007 1.00 . A A . 26 TYR OH 1 1 13 5325 1 1 27 CYS C C -3.346 -5.779 -2.655 1.00 . A A . 27 CYS C 1 1 13 5326 1 1 27 CYS CA C -2.508 -4.888 -1.756 1.00 . A A . 27 CYS CA 1 1 13 5327 1 1 27 CYS CB C -1.524 -5.729 -0.929 1.00 . A A . 27 CYS CB 1 1 13 5328 1 1 27 CYS H H -4.051 -4.505 -0.388 1.00 . A A . 27 CYS H 1 1 13 5329 1 1 27 CYS HA H -1.972 -4.242 -2.422 1.00 . A A . 27 CYS HA 1 1 13 5330 1 1 27 CYS HB3 H -0.776 -6.142 -1.603 1.00 . A A . 27 CYS HB3 1 1 13 5331 1 1 27 CYS N N -3.338 -4.034 -0.921 1.00 . A A . 27 CYS N 1 1 13 5332 1 1 27 CYS O O -4.441 -6.181 -2.273 1.00 . A A . 27 CYS O 1 1 13 5333 1 1 27 CYS SG S -0.626 -4.829 0.345 1.00 . A A . 27 CYS SG 1 1 13 5334 1 1 28 LYS C C -3.248 -8.465 -4.140 1.00 . A A . 28 LYS C 1 1 13 5335 1 1 28 LYS CA C -3.450 -7.070 -4.727 1.00 . A A . 28 LYS CA 1 1 13 5336 1 1 28 LYS CB C -2.849 -6.997 -6.135 1.00 . A A . 28 LYS CB 1 1 13 5337 1 1 28 LYS CD C -2.366 -5.617 -8.153 1.00 . A A . 28 LYS CD 1 1 13 5338 1 1 28 LYS CE C -2.537 -4.301 -8.914 1.00 . A A . 28 LYS CE 1 1 13 5339 1 1 28 LYS CG C -3.099 -5.642 -6.802 1.00 . A A . 28 LYS CG 1 1 13 5340 1 1 28 LYS H H -1.885 -5.771 -4.081 1.00 . A A . 28 LYS H 1 1 13 5341 1 1 28 LYS HA H -4.521 -6.868 -4.794 1.00 . A A . 28 LYS HA 1 1 13 5342 1 1 28 LYS HB3 H -3.301 -7.779 -6.747 1.00 . A A . 28 LYS HB3 1 1 13 5343 1 1 28 LYS HD3 H -2.730 -6.436 -8.778 1.00 . A A . 28 LYS HD3 1 1 13 5344 1 1 28 LYS HE3 H -3.551 -4.239 -9.318 1.00 . A A . 28 LYS HE3 1 1 13 5345 1 1 28 LYS HG3 H -2.724 -4.859 -6.143 1.00 . A A . 28 LYS HG3 1 1 13 5346 1 1 28 LYS HZ1 H -1.533 -3.257 -7.401 1.00 . A A . 28 LYS HZ1 1 1 13 5347 1 1 28 LYS HZ2 H -2.199 -2.288 -8.578 1.00 . A A . 28 LYS HZ2 1 1 13 5348 1 1 28 LYS HZ3 H -3.165 -3.013 -7.487 1.00 . A A . 28 LYS HZ3 1 1 13 5349 1 1 28 LYS N N -2.818 -6.099 -3.843 1.00 . A A . 28 LYS N 1 1 13 5350 1 1 28 LYS NZ N -2.317 -3.135 -8.043 1.00 . A A . 28 LYS NZ 1 1 13 5351 1 1 28 LYS O O -4.181 -9.258 -4.062 1.00 . A A . 28 LYS O 1 1 13 5352 1 1 29 THR C C -0.247 -9.720 -2.471 1.00 . A A . 29 THR C 1 1 13 5353 1 1 29 THR CA C -1.632 -9.980 -3.066 1.00 . A A . 29 THR CA 1 1 13 5354 1 1 29 THR CB C -1.672 -11.176 -4.041 1.00 . A A . 29 THR CB 1 1 13 5355 1 1 29 THR CG2 C -0.708 -11.010 -5.221 1.00 . A A . 29 THR CG2 1 1 13 5356 1 1 29 THR H H -1.256 -8.091 -3.772 1.00 . A A . 29 THR H 1 1 13 5357 1 1 29 THR HA H -2.330 -10.166 -2.248 1.00 . A A . 29 THR HA 1 1 13 5358 1 1 29 THR HB H -2.686 -11.279 -4.433 1.00 . A A . 29 THR HB 1 1 13 5359 1 1 29 THR HG1 H -1.534 -13.118 -3.926 1.00 . A A . 29 THR HG1 1 1 13 5360 1 1 29 THR HG21 H -0.802 -11.865 -5.892 1.00 . A A . 29 THR HG21 1 1 13 5361 1 1 29 THR HG22 H -0.949 -10.105 -5.782 1.00 . A A . 29 THR HG22 1 1 13 5362 1 1 29 THR HG23 H 0.323 -10.950 -4.874 1.00 . A A . 29 THR HG23 1 1 13 5363 1 1 29 THR N N -2.013 -8.762 -3.732 1.00 . A A . 29 THR N 1 1 13 5364 1 1 29 THR O O 0.275 -8.608 -2.562 1.00 . A A . 29 THR O 1 1 13 5365 1 1 29 THR OG1 O -1.360 -12.369 -3.346 1.00 . A A . 29 THR OG1 1 1 13 5366 1 1 30 THR C C 1.571 -12.329 -0.557 1.00 . A A . 30 THR C 1 1 13 5367 1 1 30 THR CA C 1.608 -10.966 -1.253 1.00 . A A . 30 THR CA 1 1 13 5368 1 1 30 THR CB C 1.976 -9.828 -0.277 1.00 . A A . 30 THR CB 1 1 13 5369 1 1 30 THR CG2 C 3.101 -10.218 0.688 1.00 . A A . 30 THR CG2 1 1 13 5370 1 1 30 THR H H -0.259 -11.599 -2.056 1.00 . A A . 30 THR H 1 1 13 5371 1 1 30 THR HA H 2.368 -11.014 -2.033 1.00 . A A . 30 THR HA 1 1 13 5372 1 1 30 THR HB H 1.105 -9.535 0.311 1.00 . A A . 30 THR HB 1 1 13 5373 1 1 30 THR HG1 H 1.702 -8.410 -1.554 1.00 . A A . 30 THR HG1 1 1 13 5374 1 1 30 THR HG21 H 2.754 -10.961 1.407 1.00 . A A . 30 THR HG21 1 1 13 5375 1 1 30 THR HG22 H 3.945 -10.625 0.132 1.00 . A A . 30 THR HG22 1 1 13 5376 1 1 30 THR HG23 H 3.430 -9.341 1.246 1.00 . A A . 30 THR HG23 1 1 13 5377 1 1 30 THR N N 0.303 -10.775 -1.883 1.00 . A A . 30 THR N 1 1 13 5378 1 1 30 THR O O 2.447 -13.163 -0.762 1.00 . A A . 30 THR O 1 1 13 5379 1 1 30 THR OG1 O 2.440 -8.719 -1.015 1.00 . A A . 30 THR OG1 1 1 13 5380 1 1 31 NH2 HN1 H -0.165 -11.871 0.405 1.00 . A A . 31 NH2 HN1 1 1 13 5381 1 1 31 NH2 HN2 H 0.496 -13.464 0.729 1.00 . A A . 31 NH2 HN2 1 1 13 5382 1 1 31 NH2 N N 0.548 -12.570 0.263 1.00 . A A . 31 NH2 N 1 1 14 5383 1 1 1 PCA C C -0.714 8.736 7.776 1.00 . A A . 1 PCA C 1 1 14 5384 1 1 1 PCA CA C 0.186 9.552 6.847 1.00 . A A . 1 PCA CA 1 1 14 5385 1 1 1 PCA CB C 1.660 9.317 7.197 1.00 . A A . 1 PCA CB 1 1 14 5386 1 1 1 PCA CD C 0.872 11.468 7.921 1.00 . A A . 1 PCA CD 1 1 14 5387 1 1 1 PCA CG C 1.899 10.396 8.254 1.00 . A A . 1 PCA CG 1 1 14 5388 1 1 1 PCA HA H -0.017 9.294 5.809 1.00 . A A . 1 PCA HA 1 1 14 5389 1 1 1 PCA HB2 H 2.274 9.530 6.322 1.00 . A A . 1 PCA HB2 1 1 14 5390 1 1 1 PCA HB3 H 1.869 8.311 7.566 1.00 . A A . 1 PCA HB3 1 1 14 5391 1 1 1 PCA HG2 H 1.694 10.003 9.250 1.00 . A A . 1 PCA HG2 1 1 14 5392 1 1 1 PCA HG3 H 2.917 10.783 8.201 1.00 . A A . 1 PCA HG3 1 1 14 5393 1 1 1 PCA N N -0.018 10.974 7.063 1.00 . A A . 1 PCA N 1 1 14 5394 1 1 1 PCA O O -1.323 9.266 8.705 1.00 . A A . 1 PCA O 1 1 14 5395 1 1 1 PCA OE O 1.000 12.626 8.280 1.00 . A A . 1 PCA OE 1 1 14 5396 1 1 2 THR C C -0.736 5.189 8.420 1.00 . A A . 2 THR C 1 1 14 5397 1 1 2 THR CA C -1.513 6.501 8.409 1.00 . A A . 2 THR CA 1 1 14 5398 1 1 2 THR CB C -2.988 6.449 7.992 1.00 . A A . 2 THR CB 1 1 14 5399 1 1 2 THR CG2 C -3.865 5.634 8.951 1.00 . A A . 2 THR CG2 1 1 14 5400 1 1 2 THR H H -0.336 7.062 6.713 1.00 . A A . 2 THR H 1 1 14 5401 1 1 2 THR HA H -1.496 6.820 9.440 1.00 . A A . 2 THR HA 1 1 14 5402 1 1 2 THR HB H -3.029 6.053 6.984 1.00 . A A . 2 THR HB 1 1 14 5403 1 1 2 THR HG1 H -2.935 8.358 8.418 1.00 . A A . 2 THR HG1 1 1 14 5404 1 1 2 THR HG21 H -4.895 5.653 8.594 1.00 . A A . 2 THR HG21 1 1 14 5405 1 1 2 THR HG22 H -3.542 4.597 9.013 1.00 . A A . 2 THR HG22 1 1 14 5406 1 1 2 THR HG23 H -3.831 6.077 9.946 1.00 . A A . 2 THR HG23 1 1 14 5407 1 1 2 THR N N -0.801 7.430 7.538 1.00 . A A . 2 THR N 1 1 14 5408 1 1 2 THR O O 0.383 5.159 8.929 1.00 . A A . 2 THR O 1 1 14 5409 1 1 2 THR OG1 O -3.527 7.756 7.942 1.00 . A A . 2 THR OG1 1 1 14 5410 1 1 3 GLN C C 0.724 3.384 6.581 1.00 . A A . 3 GLN C 1 1 14 5411 1 1 3 GLN CA C -0.427 2.964 7.496 1.00 . A A . 3 GLN CA 1 1 14 5412 1 1 3 GLN CB C -1.232 1.873 6.788 1.00 . A A . 3 GLN CB 1 1 14 5413 1 1 3 GLN CD C -2.934 0.049 7.085 1.00 . A A . 3 GLN CD 1 1 14 5414 1 1 3 GLN CG C -2.276 1.224 7.696 1.00 . A A . 3 GLN CG 1 1 14 5415 1 1 3 GLN H H -2.195 4.207 7.435 1.00 . A A . 3 GLN H 1 1 14 5416 1 1 3 GLN HA H -0.008 2.554 8.416 1.00 . A A . 3 GLN HA 1 1 14 5417 1 1 3 GLN HB3 H -0.534 1.098 6.466 1.00 . A A . 3 GLN HB3 1 1 14 5418 1 1 3 GLN HE21 H -4.011 -0.063 8.812 1.00 . A A . 3 GLN HE21 1 1 14 5419 1 1 3 GLN HE22 H -4.094 -1.371 7.688 1.00 . A A . 3 GLN HE22 1 1 14 5420 1 1 3 GLN HG3 H -3.121 1.851 7.947 1.00 . A A . 3 GLN HG3 1 1 14 5421 1 1 3 GLN N N -1.259 4.126 7.809 1.00 . A A . 3 GLN N 1 1 14 5422 1 1 3 GLN NE2 N -3.806 -0.473 7.915 1.00 . A A . 3 GLN NE2 1 1 14 5423 1 1 3 GLN O O 1.804 2.801 6.621 1.00 . A A . 3 GLN O 1 1 14 5424 1 1 3 GLN OE1 O -2.661 -0.390 5.970 1.00 . A A . 3 GLN OE1 1 1 14 5425 1 1 4 CYS C C 1.067 6.314 4.434 1.00 . A A . 4 CYS C 1 1 14 5426 1 1 4 CYS CA C 1.360 4.848 4.697 1.00 . A A . 4 CYS CA 1 1 14 5427 1 1 4 CYS CB C 1.146 4.053 3.407 1.00 . A A . 4 CYS CB 1 1 14 5428 1 1 4 CYS H H -0.454 4.806 5.740 1.00 . A A . 4 CYS H 1 1 14 5429 1 1 4 CYS HA H 2.395 4.746 5.029 1.00 . A A . 4 CYS HA 1 1 14 5430 1 1 4 CYS HB3 H 1.511 3.048 3.558 1.00 . A A . 4 CYS HB3 1 1 14 5431 1 1 4 CYS N N 0.455 4.366 5.721 1.00 . A A . 4 CYS N 1 1 14 5432 1 1 4 CYS O O 0.048 6.842 4.883 1.00 . A A . 4 CYS O 1 1 14 5433 1 1 4 CYS SG S -0.573 3.977 2.820 1.00 . A A . 4 CYS SG 1 1 14 5434 1 1 5 GLN C C 1.627 8.043 1.558 1.00 . A A . 5 GLN C 1 1 14 5435 1 1 5 GLN CA C 1.846 8.239 3.061 1.00 . A A . 5 GLN CA 1 1 14 5436 1 1 5 GLN CB C 3.120 9.049 3.325 1.00 . A A . 5 GLN CB 1 1 14 5437 1 1 5 GLN CD C 4.080 11.388 3.180 1.00 . A A . 5 GLN CD 1 1 14 5438 1 1 5 GLN CG C 2.810 10.546 3.234 1.00 . A A . 5 GLN CG 1 1 14 5439 1 1 5 GLN H H 2.819 6.421 3.450 1.00 . A A . 5 GLN H 1 1 14 5440 1 1 5 GLN HA H 1.000 8.790 3.473 1.00 . A A . 5 GLN HA 1 1 14 5441 1 1 5 GLN HB3 H 3.887 8.778 2.596 1.00 . A A . 5 GLN HB3 1 1 14 5442 1 1 5 GLN HE21 H 4.765 10.607 4.932 1.00 . A A . 5 GLN HE21 1 1 14 5443 1 1 5 GLN HE22 H 5.790 11.806 4.161 1.00 . A A . 5 GLN HE22 1 1 14 5444 1 1 5 GLN HG3 H 2.218 10.851 4.097 1.00 . A A . 5 GLN HG3 1 1 14 5445 1 1 5 GLN N N 1.979 6.943 3.697 1.00 . A A . 5 GLN N 1 1 14 5446 1 1 5 GLN NE2 N 4.943 11.257 4.183 1.00 . A A . 5 GLN NE2 1 1 14 5447 1 1 5 GLN O O 0.842 8.770 0.951 1.00 . A A . 5 GLN O 1 1 14 5448 1 1 5 GLN OE1 O 4.291 12.148 2.242 1.00 . A A . 5 GLN OE1 1 1 14 5449 1 1 6 SER C C 2.542 5.333 -0.747 1.00 . A A . 6 SER C 1 1 14 5450 1 1 6 SER CA C 2.193 6.781 -0.477 1.00 . A A . 6 SER CA 1 1 14 5451 1 1 6 SER CB C 3.061 7.700 -1.349 1.00 . A A . 6 SER CB 1 1 14 5452 1 1 6 SER H H 2.918 6.452 1.496 1.00 . A A . 6 SER H 1 1 14 5453 1 1 6 SER HA H 1.152 6.914 -0.777 1.00 . A A . 6 SER HA 1 1 14 5454 1 1 6 SER HB3 H 2.446 8.550 -1.606 1.00 . A A . 6 SER HB3 1 1 14 5455 1 1 6 SER HG H 4.094 8.237 0.221 1.00 . A A . 6 SER HG 1 1 14 5456 1 1 6 SER N N 2.323 7.081 0.942 1.00 . A A . 6 SER N 1 1 14 5457 1 1 6 SER O O 2.969 4.598 0.131 1.00 . A A . 6 SER O 1 1 14 5458 1 1 6 SER OG O 4.271 8.064 -0.709 1.00 . A A . 6 SER OG 1 1 14 5459 1 1 7 VAL C C 3.981 3.053 -1.999 1.00 . A A . 7 VAL C 1 1 14 5460 1 1 7 VAL CA C 2.590 3.556 -2.417 1.00 . A A . 7 VAL CA 1 1 14 5461 1 1 7 VAL CB C 2.311 3.492 -3.925 1.00 . A A . 7 VAL CB 1 1 14 5462 1 1 7 VAL CG1 C 3.384 4.174 -4.783 1.00 . A A . 7 VAL CG1 1 1 14 5463 1 1 7 VAL CG2 C 2.122 2.042 -4.343 1.00 . A A . 7 VAL CG2 1 1 14 5464 1 1 7 VAL H H 2.018 5.581 -2.677 1.00 . A A . 7 VAL H 1 1 14 5465 1 1 7 VAL HA H 1.862 2.939 -1.884 1.00 . A A . 7 VAL HA 1 1 14 5466 1 1 7 VAL HB H 1.361 3.996 -4.117 1.00 . A A . 7 VAL HB 1 1 14 5467 1 1 7 VAL HG11 H 3.069 4.169 -5.827 1.00 . A A . 7 VAL HG11 1 1 14 5468 1 1 7 VAL HG12 H 3.523 5.207 -4.466 1.00 . A A . 7 VAL HG12 1 1 14 5469 1 1 7 VAL HG13 H 4.332 3.642 -4.706 1.00 . A A . 7 VAL HG13 1 1 14 5470 1 1 7 VAL HG21 H 3.042 1.488 -4.170 1.00 . A A . 7 VAL HG21 1 1 14 5471 1 1 7 VAL HG22 H 1.314 1.628 -3.745 1.00 . A A . 7 VAL HG22 1 1 14 5472 1 1 7 VAL HG23 H 1.854 2.007 -5.397 1.00 . A A . 7 VAL HG23 1 1 14 5473 1 1 7 VAL N N 2.361 4.922 -1.996 1.00 . A A . 7 VAL N 1 1 14 5474 1 1 7 VAL O O 4.122 1.904 -1.586 1.00 . A A . 7 VAL O 1 1 14 5475 1 1 8 ARG C C 6.384 3.008 -0.212 1.00 . A A . 8 ARG C 1 1 14 5476 1 1 8 ARG CA C 6.343 3.700 -1.577 1.00 . A A . 8 ARG CA 1 1 14 5477 1 1 8 ARG CB C 7.094 5.036 -1.510 1.00 . A A . 8 ARG CB 1 1 14 5478 1 1 8 ARG CD C 7.967 7.013 -2.778 1.00 . A A . 8 ARG CD 1 1 14 5479 1 1 8 ARG CG C 7.297 5.642 -2.904 1.00 . A A . 8 ARG CG 1 1 14 5480 1 1 8 ARG CZ C 8.744 8.819 -4.313 1.00 . A A . 8 ARG CZ 1 1 14 5481 1 1 8 ARG H H 4.755 4.863 -2.368 1.00 . A A . 8 ARG H 1 1 14 5482 1 1 8 ARG HA H 6.848 3.054 -2.295 1.00 . A A . 8 ARG HA 1 1 14 5483 1 1 8 ARG HB3 H 8.072 4.862 -1.057 1.00 . A A . 8 ARG HB3 1 1 14 5484 1 1 8 ARG HD3 H 8.910 6.893 -2.241 1.00 . A A . 8 ARG HD3 1 1 14 5485 1 1 8 ARG HE H 7.998 7.015 -4.898 1.00 . A A . 8 ARG HE 1 1 14 5486 1 1 8 ARG HG3 H 6.338 5.761 -3.410 1.00 . A A . 8 ARG HG3 1 1 14 5487 1 1 8 ARG HH11 H 8.884 9.254 -2.334 1.00 . A A . 8 ARG HH11 1 1 14 5488 1 1 8 ARG HH12 H 9.439 10.521 -3.383 1.00 . A A . 8 ARG HH12 1 1 14 5489 1 1 8 ARG HH21 H 8.724 8.670 -6.353 1.00 . A A . 8 ARG HH21 1 1 14 5490 1 1 8 ARG HH22 H 9.341 10.168 -5.738 1.00 . A A . 8 ARG HH22 1 1 14 5491 1 1 8 ARG N N 4.980 3.938 -2.041 1.00 . A A . 8 ARG N 1 1 14 5492 1 1 8 ARG NE N 8.226 7.598 -4.103 1.00 . A A . 8 ARG NE 1 1 14 5493 1 1 8 ARG NH1 N 9.052 9.597 -3.268 1.00 . A A . 8 ARG NH1 1 1 14 5494 1 1 8 ARG NH2 N 8.952 9.254 -5.561 1.00 . A A . 8 ARG NH2 1 1 14 5495 1 1 8 ARG O O 7.151 2.068 -0.019 1.00 . A A . 8 ARG O 1 1 14 5496 1 1 9 ASP C C 5.103 1.396 1.914 1.00 . A A . 9 ASP C 1 1 14 5497 1 1 9 ASP CA C 5.465 2.873 2.055 1.00 . A A . 9 ASP CA 1 1 14 5498 1 1 9 ASP CB C 4.364 3.636 2.788 1.00 . A A . 9 ASP CB 1 1 14 5499 1 1 9 ASP CG C 4.779 5.047 3.151 1.00 . A A . 9 ASP CG 1 1 14 5500 1 1 9 ASP H H 4.867 4.176 0.539 1.00 . A A . 9 ASP H 1 1 14 5501 1 1 9 ASP HA H 6.410 2.998 2.576 1.00 . A A . 9 ASP HA 1 1 14 5502 1 1 9 ASP HB3 H 3.983 3.143 3.664 1.00 . A A . 9 ASP HB3 1 1 14 5503 1 1 9 ASP N N 5.558 3.459 0.734 1.00 . A A . 9 ASP N 1 1 14 5504 1 1 9 ASP O O 5.800 0.496 2.408 1.00 . A A . 9 ASP O 1 1 14 5505 1 1 9 ASP OD1 O 5.653 5.185 4.029 1.00 . A A . 9 ASP OD1 1 1 14 5506 1 1 9 ASP OD2 O 4.178 5.968 2.558 1.00 . A A . 9 ASP OD2 1 1 14 5507 1 1 10 CYS C C 4.627 -1.010 0.214 1.00 . A A . 10 CYS C 1 1 14 5508 1 1 10 CYS CA C 3.580 -0.216 0.980 1.00 . A A . 10 CYS CA 1 1 14 5509 1 1 10 CYS CB C 2.225 -0.384 0.292 1.00 . A A . 10 CYS CB 1 1 14 5510 1 1 10 CYS H H 3.549 1.906 0.688 1.00 . A A . 10 CYS H 1 1 14 5511 1 1 10 CYS HA H 3.503 -0.657 1.971 1.00 . A A . 10 CYS HA 1 1 14 5512 1 1 10 CYS HB3 H 2.481 -0.699 -0.678 1.00 . A A . 10 CYS HB3 1 1 14 5513 1 1 10 CYS N N 4.010 1.150 1.183 1.00 . A A . 10 CYS N 1 1 14 5514 1 1 10 CYS O O 4.699 -2.210 0.410 1.00 . A A . 10 CYS O 1 1 14 5515 1 1 10 CYS SG S 1.191 -1.675 1.035 1.00 . A A . 10 CYS SG 1 1 14 5516 1 1 11 GLN C C 7.448 -1.779 -0.471 1.00 . A A . 11 GLN C 1 1 14 5517 1 1 11 GLN CA C 6.428 -1.141 -1.426 1.00 . A A . 11 GLN CA 1 1 14 5518 1 1 11 GLN CB C 7.123 -0.263 -2.474 1.00 . A A . 11 GLN CB 1 1 14 5519 1 1 11 GLN CD C 6.868 1.001 -4.644 1.00 . A A . 11 GLN CD 1 1 14 5520 1 1 11 GLN CG C 6.190 0.073 -3.643 1.00 . A A . 11 GLN CG 1 1 14 5521 1 1 11 GLN H H 5.258 0.585 -0.880 1.00 . A A . 11 GLN H 1 1 14 5522 1 1 11 GLN HA H 5.930 -1.948 -1.971 1.00 . A A . 11 GLN HA 1 1 14 5523 1 1 11 GLN HB3 H 7.977 -0.815 -2.872 1.00 . A A . 11 GLN HB3 1 1 14 5524 1 1 11 GLN HE21 H 8.114 -0.479 -5.273 1.00 . A A . 11 GLN HE21 1 1 14 5525 1 1 11 GLN HE22 H 8.307 1.082 -6.055 1.00 . A A . 11 GLN HE22 1 1 14 5526 1 1 11 GLN HG3 H 5.291 0.559 -3.274 1.00 . A A . 11 GLN HG3 1 1 14 5527 1 1 11 GLN N N 5.408 -0.401 -0.685 1.00 . A A . 11 GLN N 1 1 14 5528 1 1 11 GLN NE2 N 7.845 0.487 -5.384 1.00 . A A . 11 GLN NE2 1 1 14 5529 1 1 11 GLN O O 8.047 -2.798 -0.804 1.00 . A A . 11 GLN O 1 1 14 5530 1 1 11 GLN OE1 O 6.522 2.173 -4.753 1.00 . A A . 11 GLN OE1 1 1 14 5531 1 1 12 GLN C C 7.568 -3.020 2.326 1.00 . A A . 12 GLN C 1 1 14 5532 1 1 12 GLN CA C 8.401 -1.861 1.773 1.00 . A A . 12 GLN CA 1 1 14 5533 1 1 12 GLN CB C 8.709 -0.884 2.915 1.00 . A A . 12 GLN CB 1 1 14 5534 1 1 12 GLN CD C 9.269 1.484 3.558 1.00 . A A . 12 GLN CD 1 1 14 5535 1 1 12 GLN CG C 9.343 0.438 2.456 1.00 . A A . 12 GLN CG 1 1 14 5536 1 1 12 GLN H H 7.132 -0.355 0.948 1.00 . A A . 12 GLN H 1 1 14 5537 1 1 12 GLN HA H 9.342 -2.242 1.373 1.00 . A A . 12 GLN HA 1 1 14 5538 1 1 12 GLN HB3 H 9.386 -1.368 3.621 1.00 . A A . 12 GLN HB3 1 1 14 5539 1 1 12 GLN HE21 H 7.241 1.318 3.621 1.00 . A A . 12 GLN HE21 1 1 14 5540 1 1 12 GLN HE22 H 7.952 2.501 4.717 1.00 . A A . 12 GLN HE22 1 1 14 5541 1 1 12 GLN HG3 H 8.822 0.849 1.594 1.00 . A A . 12 GLN HG3 1 1 14 5542 1 1 12 GLN N N 7.643 -1.200 0.718 1.00 . A A . 12 GLN N 1 1 14 5543 1 1 12 GLN NE2 N 8.056 1.778 4.020 1.00 . A A . 12 GLN NE2 1 1 14 5544 1 1 12 GLN O O 8.061 -4.129 2.508 1.00 . A A . 12 GLN O 1 1 14 5545 1 1 12 GLN OE1 O 10.282 2.022 3.992 1.00 . A A . 12 GLN OE1 1 1 14 5546 1 1 13 TYR C C 5.088 -4.927 2.501 1.00 . A A . 13 TYR C 1 1 14 5547 1 1 13 TYR CA C 5.395 -3.655 3.310 1.00 . A A . 13 TYR CA 1 1 14 5548 1 1 13 TYR CB C 4.094 -2.906 3.621 1.00 . A A . 13 TYR CB 1 1 14 5549 1 1 13 TYR CD1 C 3.797 -3.095 6.125 1.00 . A A . 13 TYR CD1 1 1 14 5550 1 1 13 TYR CD2 C 2.150 -4.154 4.678 1.00 . A A . 13 TYR CD2 1 1 14 5551 1 1 13 TYR CE1 C 3.082 -3.526 7.254 1.00 . A A . 13 TYR CE1 1 1 14 5552 1 1 13 TYR CE2 C 1.439 -4.589 5.809 1.00 . A A . 13 TYR CE2 1 1 14 5553 1 1 13 TYR CG C 3.337 -3.415 4.832 1.00 . A A . 13 TYR CG 1 1 14 5554 1 1 13 TYR CZ C 1.904 -4.277 7.096 1.00 . A A . 13 TYR CZ 1 1 14 5555 1 1 13 TYR H H 5.969 -1.788 2.424 1.00 . A A . 13 TYR H 1 1 14 5556 1 1 13 TYR HA H 5.868 -3.949 4.249 1.00 . A A . 13 TYR HA 1 1 14 5557 1 1 13 TYR HB3 H 3.447 -2.946 2.744 1.00 . A A . 13 TYR HB3 1 1 14 5558 1 1 13 TYR HD1 H 4.695 -2.508 6.249 1.00 . A A . 13 TYR HD1 1 1 14 5559 1 1 13 TYR HD2 H 1.768 -4.371 3.694 1.00 . A A . 13 TYR HD2 1 1 14 5560 1 1 13 TYR HE1 H 3.441 -3.270 8.239 1.00 . A A . 13 TYR HE1 1 1 14 5561 1 1 13 TYR HE2 H 0.527 -5.157 5.688 1.00 . A A . 13 TYR HE2 1 1 14 5562 1 1 13 TYR HH H 1.608 -4.431 9.015 1.00 . A A . 13 TYR HH 1 1 14 5563 1 1 13 TYR N N 6.301 -2.727 2.634 1.00 . A A . 13 TYR N 1 1 14 5564 1 1 13 TYR O O 4.808 -5.978 3.074 1.00 . A A . 13 TYR O 1 1 14 5565 1 1 13 TYR OH O 1.204 -4.696 8.187 1.00 . A A . 13 TYR OH 1 1 14 5566 1 1 14 CYS C C 5.220 -5.681 -1.088 1.00 . A A . 14 CYS C 1 1 14 5567 1 1 14 CYS CA C 4.454 -5.729 0.226 1.00 . A A . 14 CYS CA 1 1 14 5568 1 1 14 CYS CB C 3.002 -5.310 -0.044 1.00 . A A . 14 CYS CB 1 1 14 5569 1 1 14 CYS H H 5.357 -3.905 0.814 1.00 . A A . 14 CYS H 1 1 14 5570 1 1 14 CYS HA H 4.474 -6.746 0.623 1.00 . A A . 14 CYS HA 1 1 14 5571 1 1 14 CYS HB3 H 2.634 -5.712 -0.994 1.00 . A A . 14 CYS HB3 1 1 14 5572 1 1 14 CYS N N 5.066 -4.803 1.176 1.00 . A A . 14 CYS N 1 1 14 5573 1 1 14 CYS O O 5.608 -4.607 -1.535 1.00 . A A . 14 CYS O 1 1 14 5574 1 1 14 CYS SG S 1.847 -5.834 1.247 1.00 . A A . 14 CYS SG 1 1 14 5575 1 1 15 LEU C C 5.213 -6.138 -4.073 1.00 . A A . 15 LEU C 1 1 14 5576 1 1 15 LEU CA C 6.030 -6.926 -3.040 1.00 . A A . 15 LEU CA 1 1 14 5577 1 1 15 LEU CB C 6.196 -8.409 -3.426 1.00 . A A . 15 LEU CB 1 1 14 5578 1 1 15 LEU CD1 C 7.298 -7.962 -5.708 1.00 . A A . 15 LEU CD1 1 1 14 5579 1 1 15 LEU CD2 C 8.726 -8.538 -3.728 1.00 . A A . 15 LEU CD2 1 1 14 5580 1 1 15 LEU CG C 7.355 -8.735 -4.388 1.00 . A A . 15 LEU CG 1 1 14 5581 1 1 15 LEU H H 5.048 -7.687 -1.307 1.00 . A A . 15 LEU H 1 1 14 5582 1 1 15 LEU HA H 7.012 -6.463 -2.946 1.00 . A A . 15 LEU HA 1 1 14 5583 1 1 15 LEU HB3 H 5.265 -8.771 -3.866 1.00 . A A . 15 LEU HB3 1 1 14 5584 1 1 15 LEU HD11 H 8.014 -8.390 -6.410 1.00 . A A . 15 LEU HD11 1 1 14 5585 1 1 15 LEU HD12 H 6.300 -8.031 -6.141 1.00 . A A . 15 LEU HD12 1 1 14 5586 1 1 15 LEU HD13 H 7.558 -6.916 -5.551 1.00 . A A . 15 LEU HD13 1 1 14 5587 1 1 15 LEU HD21 H 9.505 -8.911 -4.394 1.00 . A A . 15 LEU HD21 1 1 14 5588 1 1 15 LEU HD22 H 8.918 -7.485 -3.527 1.00 . A A . 15 LEU HD22 1 1 14 5589 1 1 15 LEU HD23 H 8.772 -9.095 -2.792 1.00 . A A . 15 LEU HD23 1 1 14 5590 1 1 15 LEU HG H 7.266 -9.794 -4.631 1.00 . A A . 15 LEU HG 1 1 14 5591 1 1 15 LEU N N 5.383 -6.839 -1.737 1.00 . A A . 15 LEU N 1 1 14 5592 1 1 15 LEU O O 5.765 -5.310 -4.795 1.00 . A A . 15 LEU O 1 1 14 5593 1 1 16 THR C C 1.804 -5.081 -4.440 1.00 . A A . 16 THR C 1 1 14 5594 1 1 16 THR CA C 3.000 -5.776 -5.104 1.00 . A A . 16 THR CA 1 1 14 5595 1 1 16 THR CB C 2.547 -6.852 -6.103 1.00 . A A . 16 THR CB 1 1 14 5596 1 1 16 THR CG2 C 1.907 -6.193 -7.327 1.00 . A A . 16 THR CG2 1 1 14 5597 1 1 16 THR H H 3.515 -7.075 -3.497 1.00 . A A . 16 THR H 1 1 14 5598 1 1 16 THR HA H 3.534 -5.016 -5.676 1.00 . A A . 16 THR HA 1 1 14 5599 1 1 16 THR HB H 1.828 -7.524 -5.631 1.00 . A A . 16 THR HB 1 1 14 5600 1 1 16 THR HG1 H 3.367 -8.275 -7.160 1.00 . A A . 16 THR HG1 1 1 14 5601 1 1 16 THR HG21 H 1.049 -5.592 -7.023 1.00 . A A . 16 THR HG21 1 1 14 5602 1 1 16 THR HG22 H 2.636 -5.545 -7.817 1.00 . A A . 16 THR HG22 1 1 14 5603 1 1 16 THR HG23 H 1.573 -6.956 -8.030 1.00 . A A . 16 THR HG23 1 1 14 5604 1 1 16 THR N N 3.896 -6.377 -4.116 1.00 . A A . 16 THR N 1 1 14 5605 1 1 16 THR O O 0.693 -5.619 -4.424 1.00 . A A . 16 THR O 1 1 14 5606 1 1 16 THR OG1 O 3.660 -7.616 -6.526 1.00 . A A . 16 THR OG1 1 1 14 5607 1 1 17 PRO C C -0.112 -2.722 -4.354 1.00 . A A . 17 PRO C 1 1 14 5608 1 1 17 PRO CA C 0.926 -3.127 -3.310 1.00 . A A . 17 PRO CA 1 1 14 5609 1 1 17 PRO CB C 1.551 -1.967 -2.541 1.00 . A A . 17 PRO CB 1 1 14 5610 1 1 17 PRO CD C 3.216 -3.435 -3.246 1.00 . A A . 17 PRO CD 1 1 14 5611 1 1 17 PRO CG C 3.039 -2.007 -2.834 1.00 . A A . 17 PRO CG 1 1 14 5612 1 1 17 PRO HA H 0.531 -3.799 -2.562 1.00 . A A . 17 PRO HA 1 1 14 5613 1 1 17 PRO HB3 H 1.314 -2.108 -1.494 1.00 . A A . 17 PRO HB3 1 1 14 5614 1 1 17 PRO HD3 H 3.187 -3.890 -2.287 1.00 . A A . 17 PRO HD3 1 1 14 5615 1 1 17 PRO HG3 H 3.661 -1.821 -1.975 1.00 . A A . 17 PRO HG3 1 1 14 5616 1 1 17 PRO N N 2.004 -3.880 -3.879 1.00 . A A . 17 PRO N 1 1 14 5617 1 1 17 PRO O O 0.222 -2.501 -5.515 1.00 . A A . 17 PRO O 1 1 14 5618 1 1 18 ASP C C -2.552 -0.727 -4.722 1.00 . A A . 18 ASP C 1 1 14 5619 1 1 18 ASP CA C -2.507 -2.255 -4.737 1.00 . A A . 18 ASP CA 1 1 14 5620 1 1 18 ASP CB C -3.792 -2.884 -4.161 1.00 . A A . 18 ASP CB 1 1 14 5621 1 1 18 ASP CG C -4.883 -3.155 -5.189 1.00 . A A . 18 ASP CG 1 1 14 5622 1 1 18 ASP H H -1.534 -2.738 -2.933 1.00 . A A . 18 ASP H 1 1 14 5623 1 1 18 ASP HA H -2.335 -2.606 -5.757 1.00 . A A . 18 ASP HA 1 1 14 5624 1 1 18 ASP HB3 H -4.208 -2.218 -3.413 1.00 . A A . 18 ASP HB3 1 1 14 5625 1 1 18 ASP N N -1.372 -2.654 -3.925 1.00 . A A . 18 ASP N 1 1 14 5626 1 1 18 ASP O O -2.502 -0.085 -5.768 1.00 . A A . 18 ASP O 1 1 14 5627 1 1 18 ASP OD1 O -4.577 -3.247 -6.392 1.00 . A A . 18 ASP OD1 1 1 14 5628 1 1 18 ASP OD2 O -6.061 -3.223 -4.766 1.00 . A A . 18 ASP OD2 1 1 14 5629 1 1 19 ARG C C -2.221 1.658 -1.921 1.00 . A A . 19 ARG C 1 1 14 5630 1 1 19 ARG CA C -2.582 1.314 -3.363 1.00 . A A . 19 ARG CA 1 1 14 5631 1 1 19 ARG CB C -3.948 1.936 -3.694 1.00 . A A . 19 ARG CB 1 1 14 5632 1 1 19 ARG CD C -6.510 1.538 -3.840 1.00 . A A . 19 ARG CD 1 1 14 5633 1 1 19 ARG CG C -5.131 1.034 -3.384 1.00 . A A . 19 ARG CG 1 1 14 5634 1 1 19 ARG CZ C -7.455 -0.714 -4.154 1.00 . A A . 19 ARG CZ 1 1 14 5635 1 1 19 ARG H H -2.818 -0.648 -2.672 1.00 . A A . 19 ARG H 1 1 14 5636 1 1 19 ARG HA H -1.821 1.734 -4.023 1.00 . A A . 19 ARG HA 1 1 14 5637 1 1 19 ARG HB3 H -3.978 2.288 -4.725 1.00 . A A . 19 ARG HB3 1 1 14 5638 1 1 19 ARG HD3 H -6.483 1.775 -4.904 1.00 . A A . 19 ARG HD3 1 1 14 5639 1 1 19 ARG HE H -7.968 0.558 -2.669 1.00 . A A . 19 ARG HE 1 1 14 5640 1 1 19 ARG HG3 H -5.085 0.809 -2.329 1.00 . A A . 19 ARG HG3 1 1 14 5641 1 1 19 ARG HH11 H -6.588 -0.067 -5.904 1.00 . A A . 19 ARG HH11 1 1 14 5642 1 1 19 ARG HH12 H -6.662 -1.805 -5.637 1.00 . A A . 19 ARG HH12 1 1 14 5643 1 1 19 ARG HH21 H -8.219 -1.799 -2.569 1.00 . A A . 19 ARG HH21 1 1 14 5644 1 1 19 ARG HH22 H -7.406 -2.675 -3.868 1.00 . A A . 19 ARG HH22 1 1 14 5645 1 1 19 ARG N N -2.630 -0.126 -3.525 1.00 . A A . 19 ARG N 1 1 14 5646 1 1 19 ARG NE N -7.504 0.489 -3.561 1.00 . A A . 19 ARG NE 1 1 14 5647 1 1 19 ARG NH1 N -6.934 -0.851 -5.375 1.00 . A A . 19 ARG NH1 1 1 14 5648 1 1 19 ARG NH2 N -7.835 -1.812 -3.502 1.00 . A A . 19 ARG NH2 1 1 14 5649 1 1 19 ARG O O -2.622 0.959 -0.997 1.00 . A A . 19 ARG O 1 1 14 5650 1 1 20 CYS C C -2.986 4.397 -0.664 1.00 . A A . 20 CYS C 1 1 14 5651 1 1 20 CYS CA C -1.734 3.548 -0.481 1.00 . A A . 20 CYS CA 1 1 14 5652 1 1 20 CYS CB C -0.516 4.422 -0.195 1.00 . A A . 20 CYS CB 1 1 14 5653 1 1 20 CYS H H -1.356 3.347 -2.548 1.00 . A A . 20 CYS H 1 1 14 5654 1 1 20 CYS HA H -1.861 2.876 0.364 1.00 . A A . 20 CYS HA 1 1 14 5655 1 1 20 CYS HB3 H -0.363 5.097 -1.036 1.00 . A A . 20 CYS HB3 1 1 14 5656 1 1 20 CYS N N -1.576 2.808 -1.726 1.00 . A A . 20 CYS N 1 1 14 5657 1 1 20 CYS O O -3.030 5.227 -1.570 1.00 . A A . 20 CYS O 1 1 14 5658 1 1 20 CYS SG S -0.718 5.402 1.311 1.00 . A A . 20 CYS SG 1 1 14 5659 1 1 21 SER C C -6.211 4.532 1.093 1.00 . A A . 21 SER C 1 1 14 5660 1 1 21 SER CA C -5.364 4.692 -0.163 1.00 . A A . 21 SER CA 1 1 14 5661 1 1 21 SER CB C -5.988 3.981 -1.370 1.00 . A A . 21 SER CB 1 1 14 5662 1 1 21 SER H H -4.014 3.380 0.781 1.00 . A A . 21 SER H 1 1 14 5663 1 1 21 SER HA H -5.267 5.761 -0.369 1.00 . A A . 21 SER HA 1 1 14 5664 1 1 21 SER HB3 H -7.069 4.044 -1.291 1.00 . A A . 21 SER HB3 1 1 14 5665 1 1 21 SER HG H -4.662 4.950 -2.430 1.00 . A A . 21 SER HG 1 1 14 5666 1 1 21 SER N N -4.054 4.116 0.082 1.00 . A A . 21 SER N 1 1 14 5667 1 1 21 SER O O -6.093 3.520 1.773 1.00 . A A . 21 SER O 1 1 14 5668 1 1 21 SER OG O -5.576 4.651 -2.545 1.00 . A A . 21 SER OG 1 1 14 5669 1 1 22 TYR C C -6.953 5.236 3.880 1.00 . A A . 22 TYR C 1 1 14 5670 1 1 22 TYR CA C -7.828 5.548 2.658 1.00 . A A . 22 TYR CA 1 1 14 5671 1 1 22 TYR CB C -9.024 4.590 2.538 1.00 . A A . 22 TYR CB 1 1 14 5672 1 1 22 TYR CD1 C -10.874 5.901 1.414 1.00 . A A . 22 TYR CD1 1 1 14 5673 1 1 22 TYR CD2 C -9.812 4.095 0.175 1.00 . A A . 22 TYR CD2 1 1 14 5674 1 1 22 TYR CE1 C -11.706 6.164 0.313 1.00 . A A . 22 TYR CE1 1 1 14 5675 1 1 22 TYR CE2 C -10.642 4.359 -0.926 1.00 . A A . 22 TYR CE2 1 1 14 5676 1 1 22 TYR CG C -9.926 4.863 1.349 1.00 . A A . 22 TYR CG 1 1 14 5677 1 1 22 TYR CZ C -11.594 5.392 -0.856 1.00 . A A . 22 TYR CZ 1 1 14 5678 1 1 22 TYR H H -7.103 6.330 0.816 1.00 . A A . 22 TYR H 1 1 14 5679 1 1 22 TYR HA H -8.219 6.557 2.789 1.00 . A A . 22 TYR HA 1 1 14 5680 1 1 22 TYR HB3 H -9.625 4.674 3.444 1.00 . A A . 22 TYR HB3 1 1 14 5681 1 1 22 TYR HD1 H -10.967 6.495 2.310 1.00 . A A . 22 TYR HD1 1 1 14 5682 1 1 22 TYR HD2 H -9.084 3.300 0.112 1.00 . A A . 22 TYR HD2 1 1 14 5683 1 1 22 TYR HE1 H -12.438 6.956 0.366 1.00 . A A . 22 TYR HE1 1 1 14 5684 1 1 22 TYR HE2 H -10.550 3.761 -1.822 1.00 . A A . 22 TYR HE2 1 1 14 5685 1 1 22 TYR HH H -12.264 5.066 -2.660 1.00 . A A . 22 TYR HH 1 1 14 5686 1 1 22 TYR N N -7.036 5.530 1.428 1.00 . A A . 22 TYR N 1 1 14 5687 1 1 22 TYR O O -7.306 4.413 4.722 1.00 . A A . 22 TYR O 1 1 14 5688 1 1 22 TYR OH O -12.409 5.652 -1.916 1.00 . A A . 22 TYR OH 1 1 14 5689 1 1 23 GLY C C -4.336 4.232 5.208 1.00 . A A . 23 GLY C 1 1 14 5690 1 1 23 GLY CA C -4.801 5.683 5.017 1.00 . A A . 23 GLY CA 1 1 14 5691 1 1 23 GLY H H -5.544 6.520 3.212 1.00 . A A . 23 GLY H 1 1 14 5692 1 1 23 GLY HA2 H -3.930 6.297 4.790 1.00 . A A . 23 GLY HA2 1 1 14 5693 1 1 23 GLY HA3 H -5.244 6.038 5.949 1.00 . A A . 23 GLY HA3 1 1 14 5694 1 1 23 GLY N N -5.773 5.864 3.943 1.00 . A A . 23 GLY N 1 1 14 5695 1 1 23 GLY O O -3.724 3.907 6.227 1.00 . A A . 23 GLY O 1 1 14 5696 1 1 24 THR C C -3.455 1.588 3.114 1.00 . A A . 24 THR C 1 1 14 5697 1 1 24 THR CA C -4.389 1.938 4.269 1.00 . A A . 24 THR CA 1 1 14 5698 1 1 24 THR CB C -5.748 1.229 4.134 1.00 . A A . 24 THR CB 1 1 14 5699 1 1 24 THR CG2 C -5.634 -0.289 4.295 1.00 . A A . 24 THR CG2 1 1 14 5700 1 1 24 THR H H -5.054 3.709 3.387 1.00 . A A . 24 THR H 1 1 14 5701 1 1 24 THR HA H -3.945 1.661 5.219 1.00 . A A . 24 THR HA 1 1 14 5702 1 1 24 THR HB H -6.168 1.436 3.153 1.00 . A A . 24 THR HB 1 1 14 5703 1 1 24 THR HG1 H -6.798 2.658 4.972 1.00 . A A . 24 THR HG1 1 1 14 5704 1 1 24 THR HG21 H -6.623 -0.734 4.180 1.00 . A A . 24 THR HG21 1 1 14 5705 1 1 24 THR HG22 H -4.971 -0.707 3.539 1.00 . A A . 24 THR HG22 1 1 14 5706 1 1 24 THR HG23 H -5.253 -0.530 5.287 1.00 . A A . 24 THR HG23 1 1 14 5707 1 1 24 THR N N -4.609 3.370 4.226 1.00 . A A . 24 THR N 1 1 14 5708 1 1 24 THR O O -3.666 2.061 1.998 1.00 . A A . 24 THR O 1 1 14 5709 1 1 24 THR OG1 O -6.639 1.715 5.119 1.00 . A A . 24 THR OG1 1 1 14 5710 1 1 25 CYS C C -2.131 -1.044 1.818 1.00 . A A . 25 CYS C 1 1 14 5711 1 1 25 CYS CA C -1.553 0.294 2.301 1.00 . A A . 25 CYS CA 1 1 14 5712 1 1 25 CYS CB C -0.066 0.394 2.696 1.00 . A A . 25 CYS CB 1 1 14 5713 1 1 25 CYS H H -2.331 0.363 4.286 1.00 . A A . 25 CYS H 1 1 14 5714 1 1 25 CYS HA H -1.617 0.970 1.453 1.00 . A A . 25 CYS HA 1 1 14 5715 1 1 25 CYS HB3 H 0.034 1.035 3.570 1.00 . A A . 25 CYS HB3 1 1 14 5716 1 1 25 CYS N N -2.420 0.782 3.365 1.00 . A A . 25 CYS N 1 1 14 5717 1 1 25 CYS O O -1.820 -2.125 2.308 1.00 . A A . 25 CYS O 1 1 14 5718 1 1 25 CYS SG S 0.918 -1.072 2.993 1.00 . A A . 25 CYS SG 1 1 14 5719 1 1 26 TYR C C -2.703 -2.829 -0.543 1.00 . A A . 26 TYR C 1 1 14 5720 1 1 26 TYR CA C -3.749 -2.058 0.248 1.00 . A A . 26 TYR CA 1 1 14 5721 1 1 26 TYR CB C -4.791 -1.521 -0.743 1.00 . A A . 26 TYR CB 1 1 14 5722 1 1 26 TYR CD1 C -6.245 0.277 0.303 1.00 . A A . 26 TYR CD1 1 1 14 5723 1 1 26 TYR CD2 C -7.210 -1.911 -0.145 1.00 . A A . 26 TYR CD2 1 1 14 5724 1 1 26 TYR CE1 C -7.503 0.735 0.732 1.00 . A A . 26 TYR CE1 1 1 14 5725 1 1 26 TYR CE2 C -8.472 -1.439 0.253 1.00 . A A . 26 TYR CE2 1 1 14 5726 1 1 26 TYR CG C -6.098 -1.048 -0.144 1.00 . A A . 26 TYR CG 1 1 14 5727 1 1 26 TYR CZ C -8.612 -0.124 0.723 1.00 . A A . 26 TYR CZ 1 1 14 5728 1 1 26 TYR H H -3.210 -0.026 0.460 1.00 . A A . 26 TYR H 1 1 14 5729 1 1 26 TYR HA H -4.224 -2.702 0.991 1.00 . A A . 26 TYR HA 1 1 14 5730 1 1 26 TYR HB3 H -5.049 -2.319 -1.434 1.00 . A A . 26 TYR HB3 1 1 14 5731 1 1 26 TYR HD1 H -5.398 0.948 0.308 1.00 . A A . 26 TYR HD1 1 1 14 5732 1 1 26 TYR HD2 H -7.104 -2.935 -0.471 1.00 . A A . 26 TYR HD2 1 1 14 5733 1 1 26 TYR HE1 H -7.612 1.743 1.094 1.00 . A A . 26 TYR HE1 1 1 14 5734 1 1 26 TYR HE2 H -9.324 -2.103 0.255 1.00 . A A . 26 TYR HE2 1 1 14 5735 1 1 26 TYR HH H -9.812 1.191 1.530 1.00 . A A . 26 TYR HH 1 1 14 5736 1 1 26 TYR N N -3.089 -0.936 0.894 1.00 . A A . 26 TYR N 1 1 14 5737 1 1 26 TYR O O -1.958 -2.196 -1.290 1.00 . A A . 26 TYR O 1 1 14 5738 1 1 26 TYR OH O -9.836 0.326 1.113 1.00 . A A . 26 TYR OH 1 1 14 5739 1 1 27 CYS C C -2.557 -5.959 -2.098 1.00 . A A . 27 CYS C 1 1 14 5740 1 1 27 CYS CA C -1.780 -5.012 -1.210 1.00 . A A . 27 CYS CA 1 1 14 5741 1 1 27 CYS CB C -0.785 -5.781 -0.338 1.00 . A A . 27 CYS CB 1 1 14 5742 1 1 27 CYS H H -3.324 -4.635 0.180 1.00 . A A . 27 CYS H 1 1 14 5743 1 1 27 CYS HA H -1.222 -4.384 -1.872 1.00 . A A . 27 CYS HA 1 1 14 5744 1 1 27 CYS HB3 H -0.049 -6.235 -1.001 1.00 . A A . 27 CYS HB3 1 1 14 5745 1 1 27 CYS N N -2.674 -4.165 -0.431 1.00 . A A . 27 CYS N 1 1 14 5746 1 1 27 CYS O O -3.557 -6.527 -1.659 1.00 . A A . 27 CYS O 1 1 14 5747 1 1 27 CYS SG S 0.130 -4.756 0.822 1.00 . A A . 27 CYS SG 1 1 14 5748 1 1 28 LYS C C -2.582 -8.490 -4.039 1.00 . A A . 28 LYS C 1 1 14 5749 1 1 28 LYS CA C -2.807 -6.989 -4.304 1.00 . A A . 28 LYS CA 1 1 14 5750 1 1 28 LYS CB C -2.399 -6.538 -5.721 1.00 . A A . 28 LYS CB 1 1 14 5751 1 1 28 LYS CD C -4.177 -7.886 -6.942 1.00 . A A . 28 LYS CD 1 1 14 5752 1 1 28 LYS CE C -5.395 -7.851 -7.867 1.00 . A A . 28 LYS CE 1 1 14 5753 1 1 28 LYS CG C -3.587 -6.493 -6.692 1.00 . A A . 28 LYS CG 1 1 14 5754 1 1 28 LYS H H -1.231 -5.740 -3.651 1.00 . A A . 28 LYS H 1 1 14 5755 1 1 28 LYS HA H -3.871 -6.783 -4.179 1.00 . A A . 28 LYS HA 1 1 14 5756 1 1 28 LYS HB3 H -1.602 -7.170 -6.116 1.00 . A A . 28 LYS HB3 1 1 14 5757 1 1 28 LYS HD3 H -4.509 -8.300 -5.992 1.00 . A A . 28 LYS HD3 1 1 14 5758 1 1 28 LYS HE3 H -5.110 -7.447 -8.842 1.00 . A A . 28 LYS HE3 1 1 14 5759 1 1 28 LYS HG3 H -3.239 -6.060 -7.631 1.00 . A A . 28 LYS HG3 1 1 14 5760 1 1 28 LYS HZ1 H -6.100 -9.641 -7.120 1.00 . A A . 28 LYS HZ1 1 1 14 5761 1 1 28 LYS HZ2 H -6.845 -9.166 -8.518 1.00 . A A . 28 LYS HZ2 1 1 14 5762 1 1 28 LYS HZ3 H -5.322 -9.789 -8.551 1.00 . A A . 28 LYS HZ3 1 1 14 5763 1 1 28 LYS N N -2.091 -6.176 -3.333 1.00 . A A . 28 LYS N 1 1 14 5764 1 1 28 LYS NZ N -5.962 -9.206 -8.032 1.00 . A A . 28 LYS NZ 1 1 14 5765 1 1 28 LYS O O -2.539 -9.301 -4.963 1.00 . A A . 28 LYS O 1 1 14 5766 1 1 29 THR C C -3.590 -11.024 -2.354 1.00 . A A . 29 THR C 1 1 14 5767 1 1 29 THR CA C -2.258 -10.264 -2.357 1.00 . A A . 29 THR CA 1 1 14 5768 1 1 29 THR CB C -1.576 -10.238 -0.976 1.00 . A A . 29 THR CB 1 1 14 5769 1 1 29 THR CG2 C -0.803 -11.533 -0.704 1.00 . A A . 29 THR CG2 1 1 14 5770 1 1 29 THR H H -2.609 -8.211 -2.032 1.00 . A A . 29 THR H 1 1 14 5771 1 1 29 THR HA H -1.580 -10.737 -3.071 1.00 . A A . 29 THR HA 1 1 14 5772 1 1 29 THR HB H -2.326 -10.093 -0.197 1.00 . A A . 29 THR HB 1 1 14 5773 1 1 29 THR HG1 H -0.229 -9.156 -0.061 1.00 . A A . 29 THR HG1 1 1 14 5774 1 1 29 THR HG21 H -1.476 -12.389 -0.741 1.00 . A A . 29 THR HG21 1 1 14 5775 1 1 29 THR HG22 H -0.019 -11.664 -1.451 1.00 . A A . 29 THR HG22 1 1 14 5776 1 1 29 THR HG23 H -0.347 -11.490 0.284 1.00 . A A . 29 THR HG23 1 1 14 5777 1 1 29 THR N N -2.501 -8.892 -2.771 1.00 . A A . 29 THR N 1 1 14 5778 1 1 29 THR O O -3.937 -11.700 -1.385 1.00 . A A . 29 THR O 1 1 14 5779 1 1 29 THR OG1 O -0.666 -9.152 -0.917 1.00 . A A . 29 THR OG1 1 1 14 5780 1 1 30 THR C C -5.672 -12.909 -3.796 1.00 . A A . 30 THR C 1 1 14 5781 1 1 30 THR CA C -5.725 -11.412 -3.494 1.00 . A A . 30 THR CA 1 1 14 5782 1 1 30 THR CB C -6.534 -10.630 -4.543 1.00 . A A . 30 THR CB 1 1 14 5783 1 1 30 THR CG2 C -6.689 -9.159 -4.142 1.00 . A A . 30 THR CG2 1 1 14 5784 1 1 30 THR H H -4.007 -10.394 -4.237 1.00 . A A . 30 THR H 1 1 14 5785 1 1 30 THR HA H -6.218 -11.276 -2.529 1.00 . A A . 30 THR HA 1 1 14 5786 1 1 30 THR HB H -7.529 -11.074 -4.612 1.00 . A A . 30 THR HB 1 1 14 5787 1 1 30 THR HG1 H -5.759 -11.667 -5.955 1.00 . A A . 30 THR HG1 1 1 14 5788 1 1 30 THR HG21 H -7.263 -8.626 -4.900 1.00 . A A . 30 THR HG21 1 1 14 5789 1 1 30 THR HG22 H -7.225 -9.095 -3.194 1.00 . A A . 30 THR HG22 1 1 14 5790 1 1 30 THR HG23 H -5.719 -8.681 -4.023 1.00 . A A . 30 THR HG23 1 1 14 5791 1 1 30 THR N N -4.369 -10.893 -3.432 1.00 . A A . 30 THR N 1 1 14 5792 1 1 30 THR O O -5.984 -13.321 -4.912 1.00 . A A . 30 THR O 1 1 14 5793 1 1 30 THR OG1 O -5.906 -10.719 -5.810 1.00 . A A . 30 THR OG1 1 1 14 5794 1 1 31 NH2 HN1 H -4.918 -13.286 -1.960 1.00 . A A . 31 NH2 HN1 1 1 14 5795 1 1 31 NH2 HN2 H -5.185 -14.704 -2.975 1.00 . A A . 31 NH2 HN2 1 1 14 5796 1 1 31 NH2 N N -5.245 -13.710 -2.823 1.00 . A A . 31 NH2 N 1 1 15 5797 1 1 1 PCA C C -1.981 8.260 10.114 1.00 . A A . 1 PCA C 1 1 15 5798 1 1 1 PCA CA C -1.064 9.142 10.960 1.00 . A A . 1 PCA CA 1 1 15 5799 1 1 1 PCA CB C -1.812 10.299 11.641 1.00 . A A . 1 PCA CB 1 1 15 5800 1 1 1 PCA CD C -0.502 11.034 9.771 1.00 . A A . 1 PCA CD 1 1 15 5801 1 1 1 PCA CG C -1.751 11.383 10.563 1.00 . A A . 1 PCA CG 1 1 15 5802 1 1 1 PCA HA H -0.553 8.531 11.704 1.00 . A A . 1 PCA HA 1 1 15 5803 1 1 1 PCA HB2 H -1.234 10.631 12.505 1.00 . A A . 1 PCA HB2 1 1 15 5804 1 1 1 PCA HB3 H -2.830 10.060 11.951 1.00 . A A . 1 PCA HB3 1 1 15 5805 1 1 1 PCA HG2 H -2.621 11.316 9.908 1.00 . A A . 1 PCA HG2 1 1 15 5806 1 1 1 PCA HG3 H -1.686 12.378 11.004 1.00 . A A . 1 PCA HG3 1 1 15 5807 1 1 1 PCA N N -0.110 9.799 10.083 1.00 . A A . 1 PCA N 1 1 15 5808 1 1 1 PCA O O -3.201 8.405 10.137 1.00 . A A . 1 PCA O 1 1 15 5809 1 1 1 PCA OE O 0.082 11.850 9.081 1.00 . A A . 1 PCA OE 1 1 15 5810 1 1 2 THR C C -1.005 5.254 8.396 1.00 . A A . 2 THR C 1 1 15 5811 1 1 2 THR CA C -1.996 6.418 8.445 1.00 . A A . 2 THR CA 1 1 15 5812 1 1 2 THR CB C -2.176 7.070 7.063 1.00 . A A . 2 THR CB 1 1 15 5813 1 1 2 THR CG2 C -3.348 8.052 7.019 1.00 . A A . 2 THR CG2 1 1 15 5814 1 1 2 THR H H -0.386 7.187 9.372 1.00 . A A . 2 THR H 1 1 15 5815 1 1 2 THR HA H -2.951 6.066 8.837 1.00 . A A . 2 THR HA 1 1 15 5816 1 1 2 THR HB H -2.370 6.287 6.331 1.00 . A A . 2 THR HB 1 1 15 5817 1 1 2 THR HG1 H -0.793 7.540 5.781 1.00 . A A . 2 THR HG1 1 1 15 5818 1 1 2 THR HG21 H -3.127 8.932 7.622 1.00 . A A . 2 THR HG21 1 1 15 5819 1 1 2 THR HG22 H -3.514 8.372 5.990 1.00 . A A . 2 THR HG22 1 1 15 5820 1 1 2 THR HG23 H -4.253 7.576 7.397 1.00 . A A . 2 THR HG23 1 1 15 5821 1 1 2 THR N N -1.381 7.349 9.350 1.00 . A A . 2 THR N 1 1 15 5822 1 1 2 THR O O 0.108 5.350 8.914 1.00 . A A . 2 THR O 1 1 15 5823 1 1 2 THR OG1 O -1.002 7.766 6.696 1.00 . A A . 2 THR OG1 1 1 15 5824 1 1 3 GLN C C 0.490 3.218 6.571 1.00 . A A . 3 GLN C 1 1 15 5825 1 1 3 GLN CA C -0.587 2.962 7.629 1.00 . A A . 3 GLN CA 1 1 15 5826 1 1 3 GLN CB C -1.474 1.768 7.260 1.00 . A A . 3 GLN CB 1 1 15 5827 1 1 3 GLN CD C -3.599 0.550 7.981 1.00 . A A . 3 GLN CD 1 1 15 5828 1 1 3 GLN CG C -2.579 1.573 8.303 1.00 . A A . 3 GLN CG 1 1 15 5829 1 1 3 GLN H H -2.312 4.210 7.332 1.00 . A A . 3 GLN H 1 1 15 5830 1 1 3 GLN HA H -0.094 2.740 8.578 1.00 . A A . 3 GLN HA 1 1 15 5831 1 1 3 GLN HB3 H -0.869 0.863 7.191 1.00 . A A . 3 GLN HB3 1 1 15 5832 1 1 3 GLN HE21 H -4.190 0.747 9.925 1.00 . A A . 3 GLN HE21 1 1 15 5833 1 1 3 GLN HE22 H -5.062 -0.332 8.899 1.00 . A A . 3 GLN HE22 1 1 15 5834 1 1 3 GLN HG3 H -3.224 2.431 8.436 1.00 . A A . 3 GLN HG3 1 1 15 5835 1 1 3 GLN N N -1.414 4.153 7.785 1.00 . A A . 3 GLN N 1 1 15 5836 1 1 3 GLN NE2 N -4.339 0.295 9.035 1.00 . A A . 3 GLN NE2 1 1 15 5837 1 1 3 GLN O O 1.614 2.724 6.689 1.00 . A A . 3 GLN O 1 1 15 5838 1 1 3 GLN OE1 O -3.765 0.052 6.873 1.00 . A A . 3 GLN OE1 1 1 15 5839 1 1 4 CYS C C 0.626 5.931 4.173 1.00 . A A . 4 CYS C 1 1 15 5840 1 1 4 CYS CA C 1.005 4.497 4.499 1.00 . A A . 4 CYS CA 1 1 15 5841 1 1 4 CYS CB C 0.849 3.688 3.213 1.00 . A A . 4 CYS CB 1 1 15 5842 1 1 4 CYS H H -0.815 4.360 5.526 1.00 . A A . 4 CYS H 1 1 15 5843 1 1 4 CYS HA H 2.044 4.465 4.829 1.00 . A A . 4 CYS HA 1 1 15 5844 1 1 4 CYS HB3 H 1.257 2.700 3.364 1.00 . A A . 4 CYS HB3 1 1 15 5845 1 1 4 CYS N N 0.128 3.994 5.544 1.00 . A A . 4 CYS N 1 1 15 5846 1 1 4 CYS O O -0.497 6.362 4.439 1.00 . A A . 4 CYS O 1 1 15 5847 1 1 4 CYS SG S -0.844 3.585 2.577 1.00 . A A . 4 CYS SG 1 1 15 5848 1 1 5 GLN C C 1.218 7.843 1.467 1.00 . A A . 5 GLN C 1 1 15 5849 1 1 5 GLN CA C 1.398 7.960 2.982 1.00 . A A . 5 GLN CA 1 1 15 5850 1 1 5 GLN CB C 2.637 8.796 3.316 1.00 . A A . 5 GLN CB 1 1 15 5851 1 1 5 GLN CD C 3.506 11.173 3.383 1.00 . A A . 5 GLN CD 1 1 15 5852 1 1 5 GLN CG C 2.269 10.283 3.334 1.00 . A A . 5 GLN CG 1 1 15 5853 1 1 5 GLN H H 2.452 6.179 3.346 1.00 . A A . 5 GLN H 1 1 15 5854 1 1 5 GLN HA H 0.525 8.460 3.406 1.00 . A A . 5 GLN HA 1 1 15 5855 1 1 5 GLN HB3 H 3.418 8.611 2.575 1.00 . A A . 5 GLN HB3 1 1 15 5856 1 1 5 GLN HE21 H 4.122 10.347 5.138 1.00 . A A . 5 GLN HE21 1 1 15 5857 1 1 5 GLN HE22 H 5.146 11.607 4.472 1.00 . A A . 5 GLN HE22 1 1 15 5858 1 1 5 GLN HG3 H 1.647 10.494 4.204 1.00 . A A . 5 GLN HG3 1 1 15 5859 1 1 5 GLN N N 1.564 6.639 3.556 1.00 . A A . 5 GLN N 1 1 15 5860 1 1 5 GLN NE2 N 4.322 11.030 4.424 1.00 . A A . 5 GLN NE2 1 1 15 5861 1 1 5 GLN O O 0.502 8.644 0.869 1.00 . A A . 5 GLN O 1 1 15 5862 1 1 5 GLN OE1 O 3.734 11.985 2.494 1.00 . A A . 5 GLN OE1 1 1 15 5863 1 1 6 SER C C 2.389 5.366 -1.013 1.00 . A A . 6 SER C 1 1 15 5864 1 1 6 SER CA C 1.938 6.773 -0.632 1.00 . A A . 6 SER CA 1 1 15 5865 1 1 6 SER CB C 2.891 7.829 -1.210 1.00 . A A . 6 SER CB 1 1 15 5866 1 1 6 SER H H 2.477 6.238 1.372 1.00 . A A . 6 SER H 1 1 15 5867 1 1 6 SER HA H 0.939 6.932 -1.042 1.00 . A A . 6 SER HA 1 1 15 5868 1 1 6 SER HB3 H 3.149 7.582 -2.240 1.00 . A A . 6 SER HB3 1 1 15 5869 1 1 6 SER HG H 1.652 9.159 -0.476 1.00 . A A . 6 SER HG 1 1 15 5870 1 1 6 SER N N 1.900 6.891 0.823 1.00 . A A . 6 SER N 1 1 15 5871 1 1 6 SER O O 2.954 4.662 -0.190 1.00 . A A . 6 SER O 1 1 15 5872 1 1 6 SER OG O 2.273 9.101 -1.214 1.00 . A A . 6 SER OG 1 1 15 5873 1 1 7 VAL C C 3.762 3.023 -2.286 1.00 . A A . 7 VAL C 1 1 15 5874 1 1 7 VAL CA C 2.380 3.562 -2.685 1.00 . A A . 7 VAL CA 1 1 15 5875 1 1 7 VAL CB C 2.106 3.486 -4.195 1.00 . A A . 7 VAL CB 1 1 15 5876 1 1 7 VAL CG1 C 3.195 4.148 -5.049 1.00 . A A . 7 VAL CG1 1 1 15 5877 1 1 7 VAL CG2 C 1.913 2.032 -4.607 1.00 . A A . 7 VAL CG2 1 1 15 5878 1 1 7 VAL H H 1.648 5.507 -2.913 1.00 . A A . 7 VAL H 1 1 15 5879 1 1 7 VAL HA H 1.636 2.948 -2.173 1.00 . A A . 7 VAL HA 1 1 15 5880 1 1 7 VAL HB H 1.164 3.998 -4.398 1.00 . A A . 7 VAL HB 1 1 15 5881 1 1 7 VAL HG11 H 4.134 3.596 -4.974 1.00 . A A . 7 VAL HG11 1 1 15 5882 1 1 7 VAL HG12 H 2.881 4.153 -6.093 1.00 . A A . 7 VAL HG12 1 1 15 5883 1 1 7 VAL HG13 H 3.354 5.177 -4.728 1.00 . A A . 7 VAL HG13 1 1 15 5884 1 1 7 VAL HG21 H 1.647 1.990 -5.664 1.00 . A A . 7 VAL HG21 1 1 15 5885 1 1 7 VAL HG22 H 2.830 1.473 -4.433 1.00 . A A . 7 VAL HG22 1 1 15 5886 1 1 7 VAL HG23 H 1.102 1.614 -4.014 1.00 . A A . 7 VAL HG23 1 1 15 5887 1 1 7 VAL N N 2.144 4.930 -2.253 1.00 . A A . 7 VAL N 1 1 15 5888 1 1 7 VAL O O 3.892 1.855 -1.927 1.00 . A A . 7 VAL O 1 1 15 5889 1 1 8 ARG C C 6.183 2.896 -0.501 1.00 . A A . 8 ARG C 1 1 15 5890 1 1 8 ARG CA C 6.141 3.553 -1.883 1.00 . A A . 8 ARG CA 1 1 15 5891 1 1 8 ARG CB C 7.031 4.800 -1.906 1.00 . A A . 8 ARG CB 1 1 15 5892 1 1 8 ARG CD C 8.360 6.337 -3.447 1.00 . A A . 8 ARG CD 1 1 15 5893 1 1 8 ARG CG C 7.224 5.307 -3.342 1.00 . A A . 8 ARG CG 1 1 15 5894 1 1 8 ARG CZ C 10.408 4.877 -3.362 1.00 . A A . 8 ARG CZ 1 1 15 5895 1 1 8 ARG H H 4.594 4.821 -2.619 1.00 . A A . 8 ARG H 1 1 15 5896 1 1 8 ARG HA H 6.552 2.832 -2.587 1.00 . A A . 8 ARG HA 1 1 15 5897 1 1 8 ARG HB3 H 7.991 4.506 -1.480 1.00 . A A . 8 ARG HB3 1 1 15 5898 1 1 8 ARG HD3 H 8.056 7.231 -2.897 1.00 . A A . 8 ARG HD3 1 1 15 5899 1 1 8 ARG HE H 9.915 6.317 -2.015 1.00 . A A . 8 ARG HE 1 1 15 5900 1 1 8 ARG HG3 H 6.300 5.770 -3.691 1.00 . A A . 8 ARG HG3 1 1 15 5901 1 1 8 ARG HH11 H 9.203 4.496 -4.952 1.00 . A A . 8 ARG HH11 1 1 15 5902 1 1 8 ARG HH12 H 10.617 3.496 -4.876 1.00 . A A . 8 ARG HH12 1 1 15 5903 1 1 8 ARG HH21 H 11.788 4.987 -1.853 1.00 . A A . 8 ARG HH21 1 1 15 5904 1 1 8 ARG HH22 H 12.126 3.795 -3.061 1.00 . A A . 8 ARG HH22 1 1 15 5905 1 1 8 ARG N N 4.788 3.881 -2.316 1.00 . A A . 8 ARG N 1 1 15 5906 1 1 8 ARG NE N 9.630 5.857 -2.870 1.00 . A A . 8 ARG NE 1 1 15 5907 1 1 8 ARG NH1 N 10.067 4.249 -4.492 1.00 . A A . 8 ARG NH1 1 1 15 5908 1 1 8 ARG NH2 N 11.527 4.529 -2.715 1.00 . A A . 8 ARG NH2 1 1 15 5909 1 1 8 ARG O O 6.955 1.961 -0.296 1.00 . A A . 8 ARG O 1 1 15 5910 1 1 9 ASP C C 4.842 1.274 1.540 1.00 . A A . 9 ASP C 1 1 15 5911 1 1 9 ASP CA C 5.214 2.736 1.740 1.00 . A A . 9 ASP CA 1 1 15 5912 1 1 9 ASP CB C 4.103 3.484 2.470 1.00 . A A . 9 ASP CB 1 1 15 5913 1 1 9 ASP CG C 4.511 4.884 2.877 1.00 . A A . 9 ASP CG 1 1 15 5914 1 1 9 ASP H H 4.677 4.079 0.245 1.00 . A A . 9 ASP H 1 1 15 5915 1 1 9 ASP HA H 6.146 2.814 2.299 1.00 . A A . 9 ASP HA 1 1 15 5916 1 1 9 ASP HB3 H 3.744 2.957 3.336 1.00 . A A . 9 ASP HB3 1 1 15 5917 1 1 9 ASP N N 5.359 3.356 0.440 1.00 . A A . 9 ASP N 1 1 15 5918 1 1 9 ASP O O 5.530 0.370 2.020 1.00 . A A . 9 ASP O 1 1 15 5919 1 1 9 ASP OD1 O 5.486 5.004 3.645 1.00 . A A . 9 ASP OD1 1 1 15 5920 1 1 9 ASP OD2 O 3.809 5.812 2.422 1.00 . A A . 9 ASP OD2 1 1 15 5921 1 1 10 CYS C C 4.516 -1.082 -0.248 1.00 . A A . 10 CYS C 1 1 15 5922 1 1 10 CYS CA C 3.397 -0.331 0.454 1.00 . A A . 10 CYS CA 1 1 15 5923 1 1 10 CYS CB C 2.074 -0.498 -0.300 1.00 . A A . 10 CYS CB 1 1 15 5924 1 1 10 CYS H H 3.322 1.805 0.300 1.00 . A A . 10 CYS H 1 1 15 5925 1 1 10 CYS HA H 3.283 -0.859 1.387 1.00 . A A . 10 CYS HA 1 1 15 5926 1 1 10 CYS HB3 H 2.390 -0.779 -1.261 1.00 . A A . 10 CYS HB3 1 1 15 5927 1 1 10 CYS N N 3.774 1.033 0.771 1.00 . A A . 10 CYS N 1 1 15 5928 1 1 10 CYS O O 4.659 -2.270 -0.002 1.00 . A A . 10 CYS O 1 1 15 5929 1 1 10 CYS SG S 1.010 -1.819 0.349 1.00 . A A . 10 CYS SG 1 1 15 5930 1 1 11 GLN C C 7.375 -1.753 -0.756 1.00 . A A . 11 GLN C 1 1 15 5931 1 1 11 GLN CA C 6.401 -1.150 -1.781 1.00 . A A . 11 GLN CA 1 1 15 5932 1 1 11 GLN CB C 7.149 -0.262 -2.785 1.00 . A A . 11 GLN CB 1 1 15 5933 1 1 11 GLN CD C 7.092 0.899 -5.020 1.00 . A A . 11 GLN CD 1 1 15 5934 1 1 11 GLN CG C 6.263 0.187 -3.954 1.00 . A A . 11 GLN CG 1 1 15 5935 1 1 11 GLN H H 5.109 0.529 -1.336 1.00 . A A . 11 GLN H 1 1 15 5936 1 1 11 GLN HA H 5.960 -1.971 -2.353 1.00 . A A . 11 GLN HA 1 1 15 5937 1 1 11 GLN HB3 H 7.970 -0.851 -3.195 1.00 . A A . 11 GLN HB3 1 1 15 5938 1 1 11 GLN HE21 H 7.581 -0.866 -5.908 1.00 . A A . 11 GLN HE21 1 1 15 5939 1 1 11 GLN HE22 H 8.223 0.580 -6.662 1.00 . A A . 11 GLN HE22 1 1 15 5940 1 1 11 GLN HG3 H 5.491 0.864 -3.598 1.00 . A A . 11 GLN HG3 1 1 15 5941 1 1 11 GLN N N 5.302 -0.445 -1.122 1.00 . A A . 11 GLN N 1 1 15 5942 1 1 11 GLN NE2 N 7.684 0.138 -5.935 1.00 . A A . 11 GLN NE2 1 1 15 5943 1 1 11 GLN O O 8.055 -2.728 -1.062 1.00 . A A . 11 GLN O 1 1 15 5944 1 1 11 GLN OE1 O 7.215 2.121 -5.020 1.00 . A A . 11 GLN OE1 1 1 15 5945 1 1 12 GLN C C 7.425 -2.957 2.146 1.00 . A A . 12 GLN C 1 1 15 5946 1 1 12 GLN CA C 8.214 -1.788 1.545 1.00 . A A . 12 GLN CA 1 1 15 5947 1 1 12 GLN CB C 8.533 -0.742 2.624 1.00 . A A . 12 GLN CB 1 1 15 5948 1 1 12 GLN CD C 9.468 1.571 3.090 1.00 . A A . 12 GLN CD 1 1 15 5949 1 1 12 GLN CG C 9.265 0.478 2.046 1.00 . A A . 12 GLN CG 1 1 15 5950 1 1 12 GLN H H 6.881 -0.376 0.667 1.00 . A A . 12 GLN H 1 1 15 5951 1 1 12 GLN HA H 9.163 -2.169 1.161 1.00 . A A . 12 GLN HA 1 1 15 5952 1 1 12 GLN HB3 H 9.168 -1.203 3.383 1.00 . A A . 12 GLN HB3 1 1 15 5953 1 1 12 GLN HE21 H 7.470 1.674 3.465 1.00 . A A . 12 GLN HE21 1 1 15 5954 1 1 12 GLN HE22 H 8.476 2.792 4.364 1.00 . A A . 12 GLN HE22 1 1 15 5955 1 1 12 GLN HG3 H 8.696 0.915 1.229 1.00 . A A . 12 GLN HG3 1 1 15 5956 1 1 12 GLN N N 7.456 -1.187 0.457 1.00 . A A . 12 GLN N 1 1 15 5957 1 1 12 GLN NE2 N 8.382 2.042 3.696 1.00 . A A . 12 GLN NE2 1 1 15 5958 1 1 12 GLN O O 7.969 -4.038 2.352 1.00 . A A . 12 GLN O 1 1 15 5959 1 1 12 GLN OE1 O 10.589 1.998 3.341 1.00 . A A . 12 GLN OE1 1 1 15 5960 1 1 13 TYR C C 4.951 -4.933 2.266 1.00 . A A . 13 TYR C 1 1 15 5961 1 1 13 TYR CA C 5.307 -3.713 3.142 1.00 . A A . 13 TYR CA 1 1 15 5962 1 1 13 TYR CB C 4.022 -3.043 3.657 1.00 . A A . 13 TYR CB 1 1 15 5963 1 1 13 TYR CD1 C 4.603 -2.158 5.972 1.00 . A A . 13 TYR CD1 1 1 15 5964 1 1 13 TYR CD2 C 3.649 -0.626 4.354 1.00 . A A . 13 TYR CD2 1 1 15 5965 1 1 13 TYR CE1 C 4.443 -1.180 6.976 1.00 . A A . 13 TYR CE1 1 1 15 5966 1 1 13 TYR CE2 C 3.490 0.346 5.351 1.00 . A A . 13 TYR CE2 1 1 15 5967 1 1 13 TYR CG C 4.176 -1.896 4.654 1.00 . A A . 13 TYR CG 1 1 15 5968 1 1 13 TYR CZ C 3.849 0.058 6.673 1.00 . A A . 13 TYR CZ 1 1 15 5969 1 1 13 TYR H H 5.746 -1.827 2.224 1.00 . A A . 13 TYR H 1 1 15 5970 1 1 13 TYR HA H 5.859 -4.084 4.007 1.00 . A A . 13 TYR HA 1 1 15 5971 1 1 13 TYR HB3 H 3.419 -3.809 4.145 1.00 . A A . 13 TYR HB3 1 1 15 5972 1 1 13 TYR HD1 H 4.981 -3.135 6.234 1.00 . A A . 13 TYR HD1 1 1 15 5973 1 1 13 TYR HD2 H 3.269 -0.394 3.382 1.00 . A A . 13 TYR HD2 1 1 15 5974 1 1 13 TYR HE1 H 4.718 -1.406 7.997 1.00 . A A . 13 TYR HE1 1 1 15 5975 1 1 13 TYR HE2 H 3.041 1.295 5.100 1.00 . A A . 13 TYR HE2 1 1 15 5976 1 1 13 TYR HH H 2.975 1.664 7.346 1.00 . A A . 13 TYR HH 1 1 15 5977 1 1 13 TYR N N 6.143 -2.731 2.453 1.00 . A A . 13 TYR N 1 1 15 5978 1 1 13 TYR O O 4.594 -5.980 2.802 1.00 . A A . 13 TYR O 1 1 15 5979 1 1 13 TYR OH O 3.539 0.942 7.662 1.00 . A A . 13 TYR OH 1 1 15 5980 1 1 14 CYS C C 5.253 -5.721 -1.312 1.00 . A A . 14 CYS C 1 1 15 5981 1 1 14 CYS CA C 4.429 -5.747 -0.032 1.00 . A A . 14 CYS CA 1 1 15 5982 1 1 14 CYS CB C 2.987 -5.351 -0.390 1.00 . A A . 14 CYS CB 1 1 15 5983 1 1 14 CYS H H 5.346 -3.936 0.557 1.00 . A A . 14 CYS H 1 1 15 5984 1 1 14 CYS HA H 4.435 -6.757 0.379 1.00 . A A . 14 CYS HA 1 1 15 5985 1 1 14 CYS HB3 H 2.688 -5.794 -1.344 1.00 . A A . 14 CYS HB3 1 1 15 5986 1 1 14 CYS N N 4.991 -4.804 0.935 1.00 . A A . 14 CYS N 1 1 15 5987 1 1 14 CYS O O 5.660 -4.656 -1.767 1.00 . A A . 14 CYS O 1 1 15 5988 1 1 14 CYS SG S 1.758 -5.869 0.833 1.00 . A A . 14 CYS SG 1 1 15 5989 1 1 15 LEU C C 5.394 -6.287 -4.301 1.00 . A A . 15 LEU C 1 1 15 5990 1 1 15 LEU CA C 6.166 -7.011 -3.190 1.00 . A A . 15 LEU CA 1 1 15 5991 1 1 15 LEU CB C 6.391 -8.502 -3.506 1.00 . A A . 15 LEU CB 1 1 15 5992 1 1 15 LEU CD1 C 7.625 -8.103 -5.733 1.00 . A A . 15 LEU CD1 1 1 15 5993 1 1 15 LEU CD2 C 8.935 -8.593 -3.651 1.00 . A A . 15 LEU CD2 1 1 15 5994 1 1 15 LEU CG C 7.611 -8.835 -4.388 1.00 . A A . 15 LEU CG 1 1 15 5995 1 1 15 LEU H H 5.094 -7.730 -1.493 1.00 . A A . 15 LEU H 1 1 15 5996 1 1 15 LEU HA H 7.130 -6.520 -3.060 1.00 . A A . 15 LEU HA 1 1 15 5997 1 1 15 LEU HB3 H 5.496 -8.908 -3.979 1.00 . A A . 15 LEU HB3 1 1 15 5998 1 1 15 LEU HD11 H 7.853 -7.047 -5.590 1.00 . A A . 15 LEU HD11 1 1 15 5999 1 1 15 LEU HD12 H 8.396 -8.536 -6.370 1.00 . A A . 15 LEU HD12 1 1 15 6000 1 1 15 LEU HD13 H 6.662 -8.209 -6.230 1.00 . A A . 15 LEU HD13 1 1 15 6001 1 1 15 LEU HD21 H 8.935 -9.126 -2.700 1.00 . A A . 15 LEU HD21 1 1 15 6002 1 1 15 LEU HD22 H 9.761 -8.964 -4.258 1.00 . A A . 15 LEU HD22 1 1 15 6003 1 1 15 LEU HD23 H 9.092 -7.530 -3.465 1.00 . A A . 15 LEU HD23 1 1 15 6004 1 1 15 LEU HG H 7.557 -9.903 -4.602 1.00 . A A . 15 LEU HG 1 1 15 6005 1 1 15 LEU N N 5.445 -6.890 -1.928 1.00 . A A . 15 LEU N 1 1 15 6006 1 1 15 LEU O O 5.967 -5.475 -5.023 1.00 . A A . 15 LEU O 1 1 15 6007 1 1 16 THR C C 1.997 -5.320 -4.862 1.00 . A A . 16 THR C 1 1 15 6008 1 1 16 THR CA C 3.234 -5.996 -5.468 1.00 . A A . 16 THR CA 1 1 15 6009 1 1 16 THR CB C 2.843 -7.080 -6.485 1.00 . A A . 16 THR CB 1 1 15 6010 1 1 16 THR CG2 C 2.187 -6.452 -7.719 1.00 . A A . 16 THR CG2 1 1 15 6011 1 1 16 THR H H 3.675 -7.224 -3.780 1.00 . A A . 16 THR H 1 1 15 6012 1 1 16 THR HA H 3.778 -5.230 -6.021 1.00 . A A . 16 THR HA 1 1 15 6013 1 1 16 THR HB H 2.151 -7.792 -6.030 1.00 . A A . 16 THR HB 1 1 15 6014 1 1 16 THR HG1 H 4.443 -8.134 -6.148 1.00 . A A . 16 THR HG1 1 1 15 6015 1 1 16 THR HG21 H 1.288 -5.904 -7.436 1.00 . A A . 16 THR HG21 1 1 15 6016 1 1 16 THR HG22 H 2.885 -5.765 -8.196 1.00 . A A . 16 THR HG22 1 1 15 6017 1 1 16 THR HG23 H 1.918 -7.236 -8.426 1.00 . A A . 16 THR HG23 1 1 15 6018 1 1 16 THR N N 4.090 -6.576 -4.430 1.00 . A A . 16 THR N 1 1 15 6019 1 1 16 THR O O 0.914 -5.912 -4.819 1.00 . A A . 16 THR O 1 1 15 6020 1 1 16 THR OG1 O 3.992 -7.777 -6.916 1.00 . A A . 16 THR OG1 1 1 15 6021 1 1 17 PRO C C -0.062 -3.032 -4.905 1.00 . A A . 17 PRO C 1 1 15 6022 1 1 17 PRO CA C 1.009 -3.349 -3.860 1.00 . A A . 17 PRO CA 1 1 15 6023 1 1 17 PRO CB C 1.573 -2.135 -3.127 1.00 . A A . 17 PRO CB 1 1 15 6024 1 1 17 PRO CD C 3.296 -3.593 -3.680 1.00 . A A . 17 PRO CD 1 1 15 6025 1 1 17 PRO CG C 3.076 -2.156 -3.329 1.00 . A A . 17 PRO CG 1 1 15 6026 1 1 17 PRO HA H 0.625 -4.004 -3.085 1.00 . A A . 17 PRO HA 1 1 15 6027 1 1 17 PRO HB3 H 1.285 -2.243 -2.097 1.00 . A A . 17 PRO HB3 1 1 15 6028 1 1 17 PRO HD3 H 3.219 -4.009 -2.704 1.00 . A A . 17 PRO HD3 1 1 15 6029 1 1 17 PRO HG3 H 3.645 -1.936 -2.443 1.00 . A A . 17 PRO HG3 1 1 15 6030 1 1 17 PRO N N 2.132 -4.080 -4.373 1.00 . A A . 17 PRO N 1 1 15 6031 1 1 17 PRO O O 0.175 -3.104 -6.108 1.00 . A A . 17 PRO O 1 1 15 6032 1 1 18 ASP C C -2.437 -0.747 -5.108 1.00 . A A . 18 ASP C 1 1 15 6033 1 1 18 ASP CA C -2.424 -2.269 -5.146 1.00 . A A . 18 ASP CA 1 1 15 6034 1 1 18 ASP CB C -3.678 -2.845 -4.469 1.00 . A A . 18 ASP CB 1 1 15 6035 1 1 18 ASP CG C -4.956 -2.550 -5.238 1.00 . A A . 18 ASP CG 1 1 15 6036 1 1 18 ASP H H -1.315 -2.620 -3.399 1.00 . A A . 18 ASP H 1 1 15 6037 1 1 18 ASP HA H -2.368 -2.599 -6.182 1.00 . A A . 18 ASP HA 1 1 15 6038 1 1 18 ASP HB3 H -3.786 -2.411 -3.487 1.00 . A A . 18 ASP HB3 1 1 15 6039 1 1 18 ASP N N -1.252 -2.702 -4.404 1.00 . A A . 18 ASP N 1 1 15 6040 1 1 18 ASP O O -2.299 -0.087 -6.134 1.00 . A A . 18 ASP O 1 1 15 6041 1 1 18 ASP OD1 O -4.946 -2.777 -6.466 1.00 . A A . 18 ASP OD1 1 1 15 6042 1 1 18 ASP OD2 O -5.932 -2.142 -4.574 1.00 . A A . 18 ASP OD2 1 1 15 6043 1 1 19 ARG C C -2.078 1.533 -2.270 1.00 . A A . 19 ARG C 1 1 15 6044 1 1 19 ARG CA C -2.520 1.249 -3.698 1.00 . A A . 19 ARG CA 1 1 15 6045 1 1 19 ARG CB C -3.912 1.866 -3.924 1.00 . A A . 19 ARG CB 1 1 15 6046 1 1 19 ARG CD C -6.440 1.563 -4.159 1.00 . A A . 19 ARG CD 1 1 15 6047 1 1 19 ARG CG C -5.100 0.925 -3.763 1.00 . A A . 19 ARG CG 1 1 15 6048 1 1 19 ARG CZ C -8.807 1.623 -3.406 1.00 . A A . 19 ARG CZ 1 1 15 6049 1 1 19 ARG H H -2.728 -0.748 -3.069 1.00 . A A . 19 ARG H 1 1 15 6050 1 1 19 ARG HA H -1.801 1.706 -4.378 1.00 . A A . 19 ARG HA 1 1 15 6051 1 1 19 ARG HB3 H -3.949 2.367 -4.892 1.00 . A A . 19 ARG HB3 1 1 15 6052 1 1 19 ARG HD3 H -6.660 1.231 -5.176 1.00 . A A . 19 ARG HD3 1 1 15 6053 1 1 19 ARG HE H -7.339 0.475 -2.561 1.00 . A A . 19 ARG HE 1 1 15 6054 1 1 19 ARG HG3 H -5.065 0.522 -2.761 1.00 . A A . 19 ARG HG3 1 1 15 6055 1 1 19 ARG HH11 H -8.388 2.626 -5.118 1.00 . A A . 19 ARG HH11 1 1 15 6056 1 1 19 ARG HH12 H -10.038 2.766 -4.599 1.00 . A A . 19 ARG HH12 1 1 15 6057 1 1 19 ARG HH21 H -9.550 0.851 -1.635 1.00 . A A . 19 ARG HH21 1 1 15 6058 1 1 19 ARG HH22 H -10.710 1.624 -2.651 1.00 . A A . 19 ARG HH22 1 1 15 6059 1 1 19 ARG N N -2.561 -0.183 -3.900 1.00 . A A . 19 ARG N 1 1 15 6060 1 1 19 ARG NE N -7.548 1.166 -3.270 1.00 . A A . 19 ARG NE 1 1 15 6061 1 1 19 ARG NH1 N -9.110 2.402 -4.450 1.00 . A A . 19 ARG NH1 1 1 15 6062 1 1 19 ARG NH2 N -9.758 1.326 -2.512 1.00 . A A . 19 ARG NH2 1 1 15 6063 1 1 19 ARG O O -2.292 0.712 -1.387 1.00 . A A . 19 ARG O 1 1 15 6064 1 1 20 CYS C C -3.104 4.199 -0.939 1.00 . A A . 20 CYS C 1 1 15 6065 1 1 20 CYS CA C -1.822 3.399 -0.751 1.00 . A A . 20 CYS CA 1 1 15 6066 1 1 20 CYS CB C -0.671 4.319 -0.358 1.00 . A A . 20 CYS CB 1 1 15 6067 1 1 20 CYS H H -1.496 3.366 -2.824 1.00 . A A . 20 CYS H 1 1 15 6068 1 1 20 CYS HA H -1.956 2.671 0.044 1.00 . A A . 20 CYS HA 1 1 15 6069 1 1 20 CYS HB3 H -0.538 5.073 -1.133 1.00 . A A . 20 CYS HB3 1 1 15 6070 1 1 20 CYS N N -1.582 2.748 -2.030 1.00 . A A . 20 CYS N 1 1 15 6071 1 1 20 CYS O O -3.163 5.039 -1.837 1.00 . A A . 20 CYS O 1 1 15 6072 1 1 20 CYS SG S -1.009 5.148 1.213 1.00 . A A . 20 CYS SG 1 1 15 6073 1 1 21 SER C C -6.312 4.288 0.842 1.00 . A A . 21 SER C 1 1 15 6074 1 1 21 SER CA C -5.478 4.457 -0.427 1.00 . A A . 21 SER CA 1 1 15 6075 1 1 21 SER CB C -6.108 3.803 -1.665 1.00 . A A . 21 SER CB 1 1 15 6076 1 1 21 SER H H -4.121 3.142 0.491 1.00 . A A . 21 SER H 1 1 15 6077 1 1 21 SER HA H -5.371 5.529 -0.599 1.00 . A A . 21 SER HA 1 1 15 6078 1 1 21 SER HB3 H -7.187 3.848 -1.570 1.00 . A A . 21 SER HB3 1 1 15 6079 1 1 21 SER HG H -4.797 4.826 -2.690 1.00 . A A . 21 SER HG 1 1 15 6080 1 1 21 SER N N -4.170 3.876 -0.209 1.00 . A A . 21 SER N 1 1 15 6081 1 1 21 SER O O -6.158 3.298 1.549 1.00 . A A . 21 SER O 1 1 15 6082 1 1 21 SER OG O -5.719 4.554 -2.800 1.00 . A A . 21 SER OG 1 1 15 6083 1 1 22 TYR C C -6.956 5.161 3.634 1.00 . A A . 22 TYR C 1 1 15 6084 1 1 22 TYR CA C -7.887 5.348 2.424 1.00 . A A . 22 TYR CA 1 1 15 6085 1 1 22 TYR CB C -9.060 4.352 2.415 1.00 . A A . 22 TYR CB 1 1 15 6086 1 1 22 TYR CD1 C -9.917 4.040 0.047 1.00 . A A . 22 TYR CD1 1 1 15 6087 1 1 22 TYR CD2 C -11.204 5.419 1.583 1.00 . A A . 22 TYR CD2 1 1 15 6088 1 1 22 TYR CE1 C -10.840 4.317 -0.975 1.00 . A A . 22 TYR CE1 1 1 15 6089 1 1 22 TYR CE2 C -12.149 5.665 0.571 1.00 . A A . 22 TYR CE2 1 1 15 6090 1 1 22 TYR CG C -10.086 4.604 1.325 1.00 . A A . 22 TYR CG 1 1 15 6091 1 1 22 TYR CZ C -11.962 5.117 -0.709 1.00 . A A . 22 TYR CZ 1 1 15 6092 1 1 22 TYR H H -7.235 6.063 0.532 1.00 . A A . 22 TYR H 1 1 15 6093 1 1 22 TYR HA H -8.308 6.353 2.506 1.00 . A A . 22 TYR HA 1 1 15 6094 1 1 22 TYR HB3 H -9.572 4.412 3.376 1.00 . A A . 22 TYR HB3 1 1 15 6095 1 1 22 TYR HD1 H -9.072 3.403 -0.155 1.00 . A A . 22 TYR HD1 1 1 15 6096 1 1 22 TYR HD2 H -11.346 5.854 2.563 1.00 . A A . 22 TYR HD2 1 1 15 6097 1 1 22 TYR HE1 H -10.687 3.933 -1.970 1.00 . A A . 22 TYR HE1 1 1 15 6098 1 1 22 TYR HE2 H -13.009 6.281 0.786 1.00 . A A . 22 TYR HE2 1 1 15 6099 1 1 22 TYR HH H -13.600 5.904 -1.420 1.00 . A A . 22 TYR HH 1 1 15 6100 1 1 22 TYR N N -7.147 5.282 1.163 1.00 . A A . 22 TYR N 1 1 15 6101 1 1 22 TYR O O -7.335 4.559 4.634 1.00 . A A . 22 TYR O 1 1 15 6102 1 1 22 TYR OH O -12.867 5.350 -1.701 1.00 . A A . 22 TYR OH 1 1 15 6103 1 1 23 GLY C C -4.207 4.158 4.851 1.00 . A A . 23 GLY C 1 1 15 6104 1 1 23 GLY CA C -4.724 5.581 4.596 1.00 . A A . 23 GLY CA 1 1 15 6105 1 1 23 GLY H H -5.472 6.166 2.697 1.00 . A A . 23 GLY H 1 1 15 6106 1 1 23 GLY HA2 H -3.874 6.205 4.316 1.00 . A A . 23 GLY HA2 1 1 15 6107 1 1 23 GLY HA3 H -5.146 5.969 5.523 1.00 . A A . 23 GLY HA3 1 1 15 6108 1 1 23 GLY N N -5.723 5.673 3.538 1.00 . A A . 23 GLY N 1 1 15 6109 1 1 23 GLY O O -3.460 3.953 5.811 1.00 . A A . 23 GLY O 1 1 15 6110 1 1 24 THR C C -3.400 1.428 2.828 1.00 . A A . 24 THR C 1 1 15 6111 1 1 24 THR CA C -4.219 1.794 4.059 1.00 . A A . 24 THR CA 1 1 15 6112 1 1 24 THR CB C -5.501 0.949 4.166 1.00 . A A . 24 THR CB 1 1 15 6113 1 1 24 THR CG2 C -5.284 -0.542 3.876 1.00 . A A . 24 THR CG2 1 1 15 6114 1 1 24 THR H H -5.163 3.453 3.207 1.00 . A A . 24 THR H 1 1 15 6115 1 1 24 THR HA H -3.609 1.610 4.936 1.00 . A A . 24 THR HA 1 1 15 6116 1 1 24 THR HB H -6.248 1.325 3.464 1.00 . A A . 24 THR HB 1 1 15 6117 1 1 24 THR HG1 H -5.336 0.706 6.082 1.00 . A A . 24 THR HG1 1 1 15 6118 1 1 24 THR HG21 H -4.481 -0.940 4.494 1.00 . A A . 24 THR HG21 1 1 15 6119 1 1 24 THR HG22 H -6.204 -1.086 4.096 1.00 . A A . 24 THR HG22 1 1 15 6120 1 1 24 THR HG23 H -5.042 -0.697 2.823 1.00 . A A . 24 THR HG23 1 1 15 6121 1 1 24 THR N N -4.576 3.201 3.989 1.00 . A A . 24 THR N 1 1 15 6122 1 1 24 THR O O -3.713 1.854 1.716 1.00 . A A . 24 THR O 1 1 15 6123 1 1 24 THR OG1 O -6.002 1.065 5.481 1.00 . A A . 24 THR OG1 1 1 15 6124 1 1 25 CYS C C -2.195 -1.254 1.541 1.00 . A A . 25 CYS C 1 1 15 6125 1 1 25 CYS CA C -1.558 0.087 1.934 1.00 . A A . 25 CYS CA 1 1 15 6126 1 1 25 CYS CB C -0.059 0.099 2.278 1.00 . A A . 25 CYS CB 1 1 15 6127 1 1 25 CYS H H -2.159 0.287 3.956 1.00 . A A . 25 CYS H 1 1 15 6128 1 1 25 CYS HA H -1.634 0.751 1.078 1.00 . A A . 25 CYS HA 1 1 15 6129 1 1 25 CYS HB3 H 0.108 0.622 3.216 1.00 . A A . 25 CYS HB3 1 1 15 6130 1 1 25 CYS N N -2.344 0.637 3.027 1.00 . A A . 25 CYS N 1 1 15 6131 1 1 25 CYS O O -2.121 -2.251 2.254 1.00 . A A . 25 CYS O 1 1 15 6132 1 1 25 CYS SG S 0.816 -1.457 2.367 1.00 . A A . 25 CYS SG 1 1 15 6133 1 1 26 TYR C C -2.630 -3.073 -1.069 1.00 . A A . 26 TYR C 1 1 15 6134 1 1 26 TYR CA C -3.628 -2.340 -0.182 1.00 . A A . 26 TYR CA 1 1 15 6135 1 1 26 TYR CB C -4.724 -1.768 -1.080 1.00 . A A . 26 TYR CB 1 1 15 6136 1 1 26 TYR CD1 C -7.018 -2.076 -0.096 1.00 . A A . 26 TYR CD1 1 1 15 6137 1 1 26 TYR CD2 C -6.072 0.165 -0.176 1.00 . A A . 26 TYR CD2 1 1 15 6138 1 1 26 TYR CE1 C -8.282 -1.535 0.194 1.00 . A A . 26 TYR CE1 1 1 15 6139 1 1 26 TYR CE2 C -7.349 0.703 0.047 1.00 . A A . 26 TYR CE2 1 1 15 6140 1 1 26 TYR CG C -5.930 -1.221 -0.354 1.00 . A A . 26 TYR CG 1 1 15 6141 1 1 26 TYR CZ C -8.453 -0.143 0.219 1.00 . A A . 26 TYR CZ 1 1 15 6142 1 1 26 TYR H H -2.920 -0.362 -0.097 1.00 . A A . 26 TYR H 1 1 15 6143 1 1 26 TYR HA H -4.049 -3.011 0.568 1.00 . A A . 26 TYR HA 1 1 15 6144 1 1 26 TYR HB3 H -5.093 -2.553 -1.739 1.00 . A A . 26 TYR HB3 1 1 15 6145 1 1 26 TYR HD1 H -6.916 -3.141 -0.240 1.00 . A A . 26 TYR HD1 1 1 15 6146 1 1 26 TYR HD2 H -5.229 0.822 -0.329 1.00 . A A . 26 TYR HD2 1 1 15 6147 1 1 26 TYR HE1 H -9.134 -2.195 0.273 1.00 . A A . 26 TYR HE1 1 1 15 6148 1 1 26 TYR HE2 H -7.485 1.769 0.072 1.00 . A A . 26 TYR HE2 1 1 15 6149 1 1 26 TYR HH H -10.381 -0.194 0.425 1.00 . A A . 26 TYR HH 1 1 15 6150 1 1 26 TYR N N -2.943 -1.220 0.441 1.00 . A A . 26 TYR N 1 1 15 6151 1 1 26 TYR O O -1.841 -2.397 -1.730 1.00 . A A . 26 TYR O 1 1 15 6152 1 1 26 TYR OH O -9.701 0.380 0.055 1.00 . A A . 26 TYR OH 1 1 15 6153 1 1 27 CYS C C -2.459 -6.197 -2.844 1.00 . A A . 27 CYS C 1 1 15 6154 1 1 27 CYS CA C -1.757 -5.230 -1.903 1.00 . A A . 27 CYS CA 1 1 15 6155 1 1 27 CYS CB C -0.753 -5.957 -1.003 1.00 . A A . 27 CYS CB 1 1 15 6156 1 1 27 CYS H H -3.375 -4.917 -0.588 1.00 . A A . 27 CYS H 1 1 15 6157 1 1 27 CYS HA H -1.215 -4.561 -2.544 1.00 . A A . 27 CYS HA 1 1 15 6158 1 1 27 CYS HB3 H 0.037 -6.352 -1.638 1.00 . A A . 27 CYS HB3 1 1 15 6159 1 1 27 CYS N N -2.686 -4.416 -1.124 1.00 . A A . 27 CYS N 1 1 15 6160 1 1 27 CYS O O -3.530 -6.715 -2.528 1.00 . A A . 27 CYS O 1 1 15 6161 1 1 27 CYS SG S 0.029 -4.896 0.227 1.00 . A A . 27 CYS SG 1 1 15 6162 1 1 28 LYS C C -2.144 -8.779 -4.639 1.00 . A A . 28 LYS C 1 1 15 6163 1 1 28 LYS CA C -2.413 -7.327 -5.030 1.00 . A A . 28 LYS CA 1 1 15 6164 1 1 28 LYS CB C -1.824 -6.988 -6.413 1.00 . A A . 28 LYS CB 1 1 15 6165 1 1 28 LYS CD C -3.236 -5.258 -7.772 1.00 . A A . 28 LYS CD 1 1 15 6166 1 1 28 LYS CE C -4.613 -5.577 -7.174 1.00 . A A . 28 LYS CE 1 1 15 6167 1 1 28 LYS CG C -2.044 -5.526 -6.838 1.00 . A A . 28 LYS CG 1 1 15 6168 1 1 28 LYS H H -0.915 -6.098 -4.183 1.00 . A A . 28 LYS H 1 1 15 6169 1 1 28 LYS HA H -3.492 -7.180 -5.059 1.00 . A A . 28 LYS HA 1 1 15 6170 1 1 28 LYS HB3 H -2.217 -7.659 -7.177 1.00 . A A . 28 LYS HB3 1 1 15 6171 1 1 28 LYS HD3 H -3.090 -5.764 -8.728 1.00 . A A . 28 LYS HD3 1 1 15 6172 1 1 28 LYS HE3 H -5.358 -4.956 -7.680 1.00 . A A . 28 LYS HE3 1 1 15 6173 1 1 28 LYS HG3 H -1.149 -5.199 -7.371 1.00 . A A . 28 LYS HG3 1 1 15 6174 1 1 28 LYS HZ1 H -5.087 -7.201 -8.334 1.00 . A A . 28 LYS HZ1 1 1 15 6175 1 1 28 LYS HZ2 H -4.315 -7.595 -6.935 1.00 . A A . 28 LYS HZ2 1 1 15 6176 1 1 28 LYS HZ3 H -5.898 -7.143 -6.904 1.00 . A A . 28 LYS HZ3 1 1 15 6177 1 1 28 LYS N N -1.848 -6.461 -4.008 1.00 . A A . 28 LYS N 1 1 15 6178 1 1 28 LYS NZ N -5.006 -6.988 -7.350 1.00 . A A . 28 LYS NZ 1 1 15 6179 1 1 28 LYS O O -1.392 -9.492 -5.299 1.00 . A A . 28 LYS O 1 1 15 6180 1 1 29 THR C C -4.002 -10.883 -2.364 1.00 . A A . 29 THR C 1 1 15 6181 1 1 29 THR CA C -2.673 -10.588 -3.068 1.00 . A A . 29 THR CA 1 1 15 6182 1 1 29 THR CB C -1.396 -10.782 -2.218 1.00 . A A . 29 THR CB 1 1 15 6183 1 1 29 THR CG2 C -0.946 -12.247 -2.177 1.00 . A A . 29 THR CG2 1 1 15 6184 1 1 29 THR H H -3.306 -8.564 -2.997 1.00 . A A . 29 THR H 1 1 15 6185 1 1 29 THR HA H -2.618 -11.257 -3.928 1.00 . A A . 29 THR HA 1 1 15 6186 1 1 29 THR HB H -1.555 -10.411 -1.204 1.00 . A A . 29 THR HB 1 1 15 6187 1 1 29 THR HG1 H -0.385 -10.093 -3.736 1.00 . A A . 29 THR HG1 1 1 15 6188 1 1 29 THR HG21 H -0.053 -12.329 -1.554 1.00 . A A . 29 THR HG21 1 1 15 6189 1 1 29 THR HG22 H -1.714 -12.897 -1.768 1.00 . A A . 29 THR HG22 1 1 15 6190 1 1 29 THR HG23 H -0.699 -12.587 -3.183 1.00 . A A . 29 THR HG23 1 1 15 6191 1 1 29 THR N N -2.746 -9.216 -3.535 1.00 . A A . 29 THR N 1 1 15 6192 1 1 29 THR O O -5.053 -10.451 -2.838 1.00 . A A . 29 THR O 1 1 15 6193 1 1 29 THR OG1 O -0.322 -10.046 -2.773 1.00 . A A . 29 THR OG1 1 1 15 6194 1 1 30 THR C C -5.701 -10.766 0.291 1.00 . A A . 30 THR C 1 1 15 6195 1 1 30 THR CA C -5.182 -11.968 -0.501 1.00 . A A . 30 THR CA 1 1 15 6196 1 1 30 THR CB C -4.806 -13.140 0.414 1.00 . A A . 30 THR CB 1 1 15 6197 1 1 30 THR CG2 C -4.536 -14.413 -0.397 1.00 . A A . 30 THR CG2 1 1 15 6198 1 1 30 THR H H -3.115 -11.856 -0.810 1.00 . A A . 30 THR H 1 1 15 6199 1 1 30 THR HA H -5.964 -12.297 -1.189 1.00 . A A . 30 THR HA 1 1 15 6200 1 1 30 THR HB H -5.617 -13.341 1.117 1.00 . A A . 30 THR HB 1 1 15 6201 1 1 30 THR HG1 H -3.861 -12.075 1.717 1.00 . A A . 30 THR HG1 1 1 15 6202 1 1 30 THR HG21 H -5.430 -14.696 -0.952 1.00 . A A . 30 THR HG21 1 1 15 6203 1 1 30 THR HG22 H -3.715 -14.260 -1.095 1.00 . A A . 30 THR HG22 1 1 15 6204 1 1 30 THR HG23 H -4.273 -15.224 0.283 1.00 . A A . 30 THR HG23 1 1 15 6205 1 1 30 THR N N -3.988 -11.582 -1.232 1.00 . A A . 30 THR N 1 1 15 6206 1 1 30 THR O O -5.604 -10.736 1.514 1.00 . A A . 30 THR O 1 1 15 6207 1 1 30 THR OG1 O -3.629 -12.793 1.116 1.00 . A A . 30 THR OG1 1 1 15 6208 1 1 31 NH2 HN1 H -6.197 -9.809 -1.422 1.00 . A A . 31 NH2 HN1 1 1 15 6209 1 1 31 NH2 HN2 H -6.566 -8.940 0.069 1.00 . A A . 31 NH2 HN2 1 1 15 6210 1 1 31 NH2 N N -6.222 -9.759 -0.409 1.00 . A A . 31 NH2 N 1 1 16 6211 1 1 1 PCA C C -0.727 9.008 7.806 1.00 . A A . 1 PCA C 1 1 16 6212 1 1 1 PCA CA C -0.271 9.945 6.683 1.00 . A A . 1 PCA CA 1 1 16 6213 1 1 1 PCA CB C -0.813 11.370 6.877 1.00 . A A . 1 PCA CB 1 1 16 6214 1 1 1 PCA CD C -2.037 10.137 5.225 1.00 . A A . 1 PCA CD 1 1 16 6215 1 1 1 PCA CG C -2.203 11.247 6.249 1.00 . A A . 1 PCA CG 1 1 16 6216 1 1 1 PCA HA H 0.816 9.949 6.625 1.00 . A A . 1 PCA HA 1 1 16 6217 1 1 1 PCA HB2 H -0.213 12.060 6.281 1.00 . A A . 1 PCA HB2 1 1 16 6218 1 1 1 PCA HB3 H -0.842 11.709 7.913 1.00 . A A . 1 PCA HB3 1 1 16 6219 1 1 1 PCA HG2 H -2.933 10.939 6.997 1.00 . A A . 1 PCA HG2 1 1 16 6220 1 1 1 PCA HG3 H -2.510 12.185 5.783 1.00 . A A . 1 PCA HG3 1 1 16 6221 1 1 1 PCA N N -0.879 9.515 5.436 1.00 . A A . 1 PCA N 1 1 16 6222 1 1 1 PCA O O -0.998 9.458 8.916 1.00 . A A . 1 PCA O 1 1 16 6223 1 1 1 PCA OE O -2.797 10.001 4.277 1.00 . A A . 1 PCA OE 1 1 16 6224 1 1 2 THR C C -0.887 5.468 8.413 1.00 . A A . 2 THR C 1 1 16 6225 1 1 2 THR CA C -1.647 6.791 8.305 1.00 . A A . 2 THR CA 1 1 16 6226 1 1 2 THR CB C -3.066 6.731 7.718 1.00 . A A . 2 THR CB 1 1 16 6227 1 1 2 THR CG2 C -4.068 6.056 8.662 1.00 . A A . 2 THR CG2 1 1 16 6228 1 1 2 THR H H -0.573 7.410 6.570 1.00 . A A . 2 THR H 1 1 16 6229 1 1 2 THR HA H -1.747 7.132 9.327 1.00 . A A . 2 THR HA 1 1 16 6230 1 1 2 THR HB H -3.004 6.224 6.762 1.00 . A A . 2 THR HB 1 1 16 6231 1 1 2 THR HG1 H -4.432 7.986 7.095 1.00 . A A . 2 THR HG1 1 1 16 6232 1 1 2 THR HG21 H -3.761 5.043 8.917 1.00 . A A . 2 THR HG21 1 1 16 6233 1 1 2 THR HG22 H -4.154 6.638 9.581 1.00 . A A . 2 THR HG22 1 1 16 6234 1 1 2 THR HG23 H -5.049 6.007 8.186 1.00 . A A . 2 THR HG23 1 1 16 6235 1 1 2 THR N N -0.866 7.719 7.494 1.00 . A A . 2 THR N 1 1 16 6236 1 1 2 THR O O 0.223 5.454 8.938 1.00 . A A . 2 THR O 1 1 16 6237 1 1 2 THR OG1 O -3.541 8.039 7.448 1.00 . A A . 2 THR OG1 1 1 16 6238 1 1 3 GLN C C 0.591 3.422 6.878 1.00 . A A . 3 GLN C 1 1 16 6239 1 1 3 GLN CA C -0.642 3.136 7.735 1.00 . A A . 3 GLN CA 1 1 16 6240 1 1 3 GLN CB C -1.446 2.047 7.023 1.00 . A A . 3 GLN CB 1 1 16 6241 1 1 3 GLN CD C -3.273 0.343 7.209 1.00 . A A . 3 GLN CD 1 1 16 6242 1 1 3 GLN CG C -2.607 1.497 7.851 1.00 . A A . 3 GLN CG 1 1 16 6243 1 1 3 GLN H H -2.357 4.418 7.495 1.00 . A A . 3 GLN H 1 1 16 6244 1 1 3 GLN HA H -0.319 2.773 8.714 1.00 . A A . 3 GLN HA 1 1 16 6245 1 1 3 GLN HB3 H -0.768 1.219 6.809 1.00 . A A . 3 GLN HB3 1 1 16 6246 1 1 3 GLN HE21 H -4.511 0.356 8.829 1.00 . A A . 3 GLN HE21 1 1 16 6247 1 1 3 GLN HE22 H -4.580 -0.980 7.736 1.00 . A A . 3 GLN HE22 1 1 16 6248 1 1 3 GLN HG3 H -3.431 2.180 8.003 1.00 . A A . 3 GLN HG3 1 1 16 6249 1 1 3 GLN N N -1.430 4.361 7.894 1.00 . A A . 3 GLN N 1 1 16 6250 1 1 3 GLN NE2 N -4.248 -0.100 7.969 1.00 . A A . 3 GLN NE2 1 1 16 6251 1 1 3 GLN O O 1.657 2.844 7.078 1.00 . A A . 3 GLN O 1 1 16 6252 1 1 3 GLN OE1 O -2.924 -0.146 6.137 1.00 . A A . 3 GLN OE1 1 1 16 6253 1 1 4 CYS C C 1.161 6.115 4.551 1.00 . A A . 4 CYS C 1 1 16 6254 1 1 4 CYS CA C 1.344 4.640 4.857 1.00 . A A . 4 CYS CA 1 1 16 6255 1 1 4 CYS CB C 1.070 3.825 3.593 1.00 . A A . 4 CYS CB 1 1 16 6256 1 1 4 CYS H H -0.507 4.730 5.801 1.00 . A A . 4 CYS H 1 1 16 6257 1 1 4 CYS HA H 2.365 4.467 5.199 1.00 . A A . 4 CYS HA 1 1 16 6258 1 1 4 CYS HB3 H 1.366 2.801 3.776 1.00 . A A . 4 CYS HB3 1 1 16 6259 1 1 4 CYS N N 0.391 4.276 5.878 1.00 . A A . 4 CYS N 1 1 16 6260 1 1 4 CYS O O 0.169 6.724 4.960 1.00 . A A . 4 CYS O 1 1 16 6261 1 1 4 CYS SG S -0.649 3.841 3.005 1.00 . A A . 4 CYS SG 1 1 16 6262 1 1 5 GLN C C 1.932 7.813 1.677 1.00 . A A . 5 GLN C 1 1 16 6263 1 1 5 GLN CA C 2.104 7.965 3.193 1.00 . A A . 5 GLN CA 1 1 16 6264 1 1 5 GLN CB C 3.402 8.717 3.513 1.00 . A A . 5 GLN CB 1 1 16 6265 1 1 5 GLN CD C 4.769 9.782 5.364 1.00 . A A . 5 GLN CD 1 1 16 6266 1 1 5 GLN CG C 3.629 8.827 5.028 1.00 . A A . 5 GLN CG 1 1 16 6267 1 1 5 GLN H H 2.919 6.055 3.573 1.00 . A A . 5 GLN H 1 1 16 6268 1 1 5 GLN HA H 1.266 8.549 3.575 1.00 . A A . 5 GLN HA 1 1 16 6269 1 1 5 GLN HB3 H 3.332 9.714 3.077 1.00 . A A . 5 GLN HB3 1 1 16 6270 1 1 5 GLN HE21 H 3.734 11.384 4.646 1.00 . A A . 5 GLN HE21 1 1 16 6271 1 1 5 GLN HE22 H 5.332 11.714 5.301 1.00 . A A . 5 GLN HE22 1 1 16 6272 1 1 5 GLN HG3 H 3.870 7.843 5.431 1.00 . A A . 5 GLN HG3 1 1 16 6273 1 1 5 GLN N N 2.129 6.656 3.818 1.00 . A A . 5 GLN N 1 1 16 6274 1 1 5 GLN NE2 N 4.589 11.069 5.078 1.00 . A A . 5 GLN NE2 1 1 16 6275 1 1 5 GLN O O 1.297 8.656 1.049 1.00 . A A . 5 GLN O 1 1 16 6276 1 1 5 GLN OE1 O 5.801 9.380 5.888 1.00 . A A . 5 GLN OE1 1 1 16 6277 1 1 6 SER C C 2.564 5.043 -0.660 1.00 . A A . 6 SER C 1 1 16 6278 1 1 6 SER CA C 2.357 6.511 -0.357 1.00 . A A . 6 SER CA 1 1 16 6279 1 1 6 SER CB C 3.317 7.361 -1.200 1.00 . A A . 6 SER CB 1 1 16 6280 1 1 6 SER H H 2.990 6.045 1.620 1.00 . A A . 6 SER H 1 1 16 6281 1 1 6 SER HA H 1.337 6.753 -0.658 1.00 . A A . 6 SER HA 1 1 16 6282 1 1 6 SER HB3 H 2.781 8.268 -1.451 1.00 . A A . 6 SER HB3 1 1 16 6283 1 1 6 SER HG H 4.376 7.748 0.397 1.00 . A A . 6 SER HG 1 1 16 6284 1 1 6 SER N N 2.498 6.762 1.071 1.00 . A A . 6 SER N 1 1 16 6285 1 1 6 SER O O 2.947 4.254 0.191 1.00 . A A . 6 SER O 1 1 16 6286 1 1 6 SER OG O 4.544 7.606 -0.540 1.00 . A A . 6 SER OG 1 1 16 6287 1 1 7 VAL C C 3.710 2.648 -2.001 1.00 . A A . 7 VAL C 1 1 16 6288 1 1 7 VAL CA C 2.372 3.310 -2.369 1.00 . A A . 7 VAL CA 1 1 16 6289 1 1 7 VAL CB C 2.063 3.321 -3.872 1.00 . A A . 7 VAL CB 1 1 16 6290 1 1 7 VAL CG1 C 3.174 3.945 -4.727 1.00 . A A . 7 VAL CG1 1 1 16 6291 1 1 7 VAL CG2 C 1.755 1.908 -4.336 1.00 . A A . 7 VAL CG2 1 1 16 6292 1 1 7 VAL H H 2.015 5.388 -2.569 1.00 . A A . 7 VAL H 1 1 16 6293 1 1 7 VAL HA H 1.588 2.760 -1.836 1.00 . A A . 7 VAL HA 1 1 16 6294 1 1 7 VAL HB H 1.154 3.906 -4.027 1.00 . A A . 7 VAL HB 1 1 16 6295 1 1 7 VAL HG11 H 4.080 3.342 -4.680 1.00 . A A . 7 VAL HG11 1 1 16 6296 1 1 7 VAL HG12 H 2.846 3.994 -5.765 1.00 . A A . 7 VAL HG12 1 1 16 6297 1 1 7 VAL HG13 H 3.397 4.955 -4.385 1.00 . A A . 7 VAL HG13 1 1 16 6298 1 1 7 VAL HG21 H 0.941 1.525 -3.723 1.00 . A A . 7 VAL HG21 1 1 16 6299 1 1 7 VAL HG22 H 1.447 1.936 -5.380 1.00 . A A . 7 VAL HG22 1 1 16 6300 1 1 7 VAL HG23 H 2.638 1.283 -4.222 1.00 . A A . 7 VAL HG23 1 1 16 6301 1 1 7 VAL N N 2.305 4.680 -1.911 1.00 . A A . 7 VAL N 1 1 16 6302 1 1 7 VAL O O 3.736 1.470 -1.656 1.00 . A A . 7 VAL O 1 1 16 6303 1 1 8 ARG C C 6.086 2.275 -0.219 1.00 . A A . 8 ARG C 1 1 16 6304 1 1 8 ARG CA C 6.126 3.008 -1.564 1.00 . A A . 8 ARG CA 1 1 16 6305 1 1 8 ARG CB C 7.045 4.231 -1.452 1.00 . A A . 8 ARG CB 1 1 16 6306 1 1 8 ARG CD C 8.318 6.022 -2.647 1.00 . A A . 8 ARG CD 1 1 16 6307 1 1 8 ARG CG C 7.350 4.847 -2.823 1.00 . A A . 8 ARG CG 1 1 16 6308 1 1 8 ARG CZ C 9.595 7.586 -4.106 1.00 . A A . 8 ARG CZ 1 1 16 6309 1 1 8 ARG H H 4.681 4.383 -2.289 1.00 . A A . 8 ARG H 1 1 16 6310 1 1 8 ARG HA H 6.543 2.327 -2.306 1.00 . A A . 8 ARG HA 1 1 16 6311 1 1 8 ARG HB3 H 7.983 3.909 -0.999 1.00 . A A . 8 ARG HB3 1 1 16 6312 1 1 8 ARG HD3 H 9.205 5.662 -2.122 1.00 . A A . 8 ARG HD3 1 1 16 6313 1 1 8 ARG HE H 8.289 6.164 -4.762 1.00 . A A . 8 ARG HE 1 1 16 6314 1 1 8 ARG HG3 H 6.429 5.196 -3.291 1.00 . A A . 8 ARG HG3 1 1 16 6315 1 1 8 ARG HH11 H 9.891 7.835 -2.113 1.00 . A A . 8 ARG HH11 1 1 16 6316 1 1 8 ARG HH12 H 10.824 8.906 -3.111 1.00 . A A . 8 ARG HH12 1 1 16 6317 1 1 8 ARG HH21 H 9.503 7.576 -6.150 1.00 . A A . 8 ARG HH21 1 1 16 6318 1 1 8 ARG HH22 H 10.581 8.753 -5.476 1.00 . A A . 8 ARG HH22 1 1 16 6319 1 1 8 ARG N N 4.801 3.423 -2.011 1.00 . A A . 8 ARG N 1 1 16 6320 1 1 8 ARG NE N 8.712 6.587 -3.947 1.00 . A A . 8 ARG NE 1 1 16 6321 1 1 8 ARG NH1 N 10.153 8.157 -3.033 1.00 . A A . 8 ARG NH1 1 1 16 6322 1 1 8 ARG NH2 N 9.918 8.005 -5.336 1.00 . A A . 8 ARG NH2 1 1 16 6323 1 1 8 ARG O O 6.715 1.232 -0.065 1.00 . A A . 8 ARG O 1 1 16 6324 1 1 9 ASP C C 4.647 0.797 1.889 1.00 . A A . 9 ASP C 1 1 16 6325 1 1 9 ASP CA C 5.190 2.211 2.064 1.00 . A A . 9 ASP CA 1 1 16 6326 1 1 9 ASP CB C 4.210 3.096 2.830 1.00 . A A . 9 ASP CB 1 1 16 6327 1 1 9 ASP CG C 4.795 4.450 3.177 1.00 . A A . 9 ASP CG 1 1 16 6328 1 1 9 ASP H H 4.755 3.616 0.589 1.00 . A A . 9 ASP H 1 1 16 6329 1 1 9 ASP HA H 6.148 2.181 2.582 1.00 . A A . 9 ASP HA 1 1 16 6330 1 1 9 ASP HB3 H 3.810 2.644 3.719 1.00 . A A . 9 ASP HB3 1 1 16 6331 1 1 9 ASP N N 5.348 2.811 0.755 1.00 . A A . 9 ASP N 1 1 16 6332 1 1 9 ASP O O 5.229 -0.185 2.365 1.00 . A A . 9 ASP O 1 1 16 6333 1 1 9 ASP OD1 O 5.795 4.473 3.922 1.00 . A A . 9 ASP OD1 1 1 16 6334 1 1 9 ASP OD2 O 4.211 5.442 2.690 1.00 . A A . 9 ASP OD2 1 1 16 6335 1 1 10 CYS C C 4.127 -1.469 0.128 1.00 . A A . 10 CYS C 1 1 16 6336 1 1 10 CYS CA C 3.066 -0.649 0.837 1.00 . A A . 10 CYS CA 1 1 16 6337 1 1 10 CYS CB C 1.725 -0.754 0.101 1.00 . A A . 10 CYS CB 1 1 16 6338 1 1 10 CYS H H 3.169 1.490 0.657 1.00 . A A . 10 CYS H 1 1 16 6339 1 1 10 CYS HA H 2.936 -1.132 1.801 1.00 . A A . 10 CYS HA 1 1 16 6340 1 1 10 CYS HB3 H 1.992 -1.043 -0.878 1.00 . A A . 10 CYS HB3 1 1 16 6341 1 1 10 CYS N N 3.550 0.681 1.130 1.00 . A A . 10 CYS N 1 1 16 6342 1 1 10 CYS O O 4.261 -2.633 0.450 1.00 . A A . 10 CYS O 1 1 16 6343 1 1 10 CYS SG S 0.621 -1.999 0.829 1.00 . A A . 10 CYS SG 1 1 16 6344 1 1 11 GLN C C 6.951 -2.277 -0.514 1.00 . A A . 11 GLN C 1 1 16 6345 1 1 11 GLN CA C 5.914 -1.718 -1.497 1.00 . A A . 11 GLN CA 1 1 16 6346 1 1 11 GLN CB C 6.594 -0.923 -2.620 1.00 . A A . 11 GLN CB 1 1 16 6347 1 1 11 GLN CD C 6.291 0.344 -4.776 1.00 . A A . 11 GLN CD 1 1 16 6348 1 1 11 GLN CG C 5.623 -0.563 -3.750 1.00 . A A . 11 GLN CG 1 1 16 6349 1 1 11 GLN H H 4.748 0.048 -1.074 1.00 . A A . 11 GLN H 1 1 16 6350 1 1 11 GLN HA H 5.415 -2.584 -1.942 1.00 . A A . 11 GLN HA 1 1 16 6351 1 1 11 GLN HB3 H 7.397 -1.533 -3.038 1.00 . A A . 11 GLN HB3 1 1 16 6352 1 1 11 GLN HE21 H 7.401 -1.194 -5.515 1.00 . A A . 11 GLN HE21 1 1 16 6353 1 1 11 GLN HE22 H 7.639 0.368 -6.277 1.00 . A A . 11 GLN HE22 1 1 16 6354 1 1 11 GLN HG3 H 4.756 -0.043 -3.350 1.00 . A A . 11 GLN HG3 1 1 16 6355 1 1 11 GLN N N 4.888 -0.925 -0.823 1.00 . A A . 11 GLN N 1 1 16 6356 1 1 11 GLN NE2 N 7.185 -0.211 -5.589 1.00 . A A . 11 GLN NE2 1 1 16 6357 1 1 11 GLN O O 7.544 -3.318 -0.787 1.00 . A A . 11 GLN O 1 1 16 6358 1 1 11 GLN OE1 O 6.018 1.538 -4.836 1.00 . A A . 11 GLN OE1 1 1 16 6359 1 1 12 GLN C C 7.259 -3.438 2.279 1.00 . A A . 12 GLN C 1 1 16 6360 1 1 12 GLN CA C 7.976 -2.216 1.691 1.00 . A A . 12 GLN CA 1 1 16 6361 1 1 12 GLN CB C 8.314 -1.197 2.789 1.00 . A A . 12 GLN CB 1 1 16 6362 1 1 12 GLN CD C 9.469 0.999 3.329 1.00 . A A . 12 GLN CD 1 1 16 6363 1 1 12 GLN CG C 9.103 -0.003 2.238 1.00 . A A . 12 GLN CG 1 1 16 6364 1 1 12 GLN H H 6.699 -0.738 0.798 1.00 . A A . 12 GLN H 1 1 16 6365 1 1 12 GLN HA H 8.922 -2.557 1.264 1.00 . A A . 12 GLN HA 1 1 16 6366 1 1 12 GLN HB3 H 8.927 -1.694 3.543 1.00 . A A . 12 GLN HB3 1 1 16 6367 1 1 12 GLN HE21 H 7.515 1.277 3.840 1.00 . A A . 12 GLN HE21 1 1 16 6368 1 1 12 GLN HE22 H 8.681 2.233 4.724 1.00 . A A . 12 GLN HE22 1 1 16 6369 1 1 12 GLN HG3 H 8.520 0.520 1.484 1.00 . A A . 12 GLN HG3 1 1 16 6370 1 1 12 GLN N N 7.176 -1.617 0.628 1.00 . A A . 12 GLN N 1 1 16 6371 1 1 12 GLN NE2 N 8.472 1.534 4.029 1.00 . A A . 12 GLN NE2 1 1 16 6372 1 1 12 GLN O O 7.899 -4.454 2.542 1.00 . A A . 12 GLN O 1 1 16 6373 1 1 12 GLN OE1 O 10.639 1.297 3.539 1.00 . A A . 12 GLN OE1 1 1 16 6374 1 1 13 TYR C C 4.862 -5.597 2.189 1.00 . A A . 13 TYR C 1 1 16 6375 1 1 13 TYR CA C 5.189 -4.428 3.141 1.00 . A A . 13 TYR CA 1 1 16 6376 1 1 13 TYR CB C 3.911 -3.866 3.782 1.00 . A A . 13 TYR CB 1 1 16 6377 1 1 13 TYR CD1 C 4.733 -3.439 6.137 1.00 . A A . 13 TYR CD1 1 1 16 6378 1 1 13 TYR CD2 C 3.789 -1.576 4.889 1.00 . A A . 13 TYR CD2 1 1 16 6379 1 1 13 TYR CE1 C 4.957 -2.590 7.235 1.00 . A A . 13 TYR CE1 1 1 16 6380 1 1 13 TYR CE2 C 4.012 -0.729 5.988 1.00 . A A . 13 TYR CE2 1 1 16 6381 1 1 13 TYR CG C 4.160 -2.934 4.955 1.00 . A A . 13 TYR CG 1 1 16 6382 1 1 13 TYR CZ C 4.601 -1.235 7.158 1.00 . A A . 13 TYR CZ 1 1 16 6383 1 1 13 TYR H H 5.467 -2.478 2.256 1.00 . A A . 13 TYR H 1 1 16 6384 1 1 13 TYR HA H 5.797 -4.849 3.943 1.00 . A A . 13 TYR HA 1 1 16 6385 1 1 13 TYR HB3 H 3.315 -4.703 4.150 1.00 . A A . 13 TYR HB3 1 1 16 6386 1 1 13 TYR HD1 H 4.997 -4.484 6.208 1.00 . A A . 13 TYR HD1 1 1 16 6387 1 1 13 TYR HD2 H 3.320 -1.177 4.006 1.00 . A A . 13 TYR HD2 1 1 16 6388 1 1 13 TYR HE1 H 5.401 -2.993 8.134 1.00 . A A . 13 TYR HE1 1 1 16 6389 1 1 13 TYR HE2 H 3.725 0.312 5.935 1.00 . A A . 13 TYR HE2 1 1 16 6390 1 1 13 TYR HH H 5.211 -0.854 8.972 1.00 . A A . 13 TYR HH 1 1 16 6391 1 1 13 TYR N N 5.946 -3.341 2.515 1.00 . A A . 13 TYR N 1 1 16 6392 1 1 13 TYR O O 5.195 -6.748 2.466 1.00 . A A . 13 TYR O 1 1 16 6393 1 1 13 TYR OH O 4.806 -0.411 8.224 1.00 . A A . 13 TYR OH 1 1 16 6394 1 1 14 CYS C C 4.380 -6.288 -1.110 1.00 . A A . 14 CYS C 1 1 16 6395 1 1 14 CYS CA C 3.535 -6.243 0.157 1.00 . A A . 14 CYS CA 1 1 16 6396 1 1 14 CYS CB C 2.113 -5.764 -0.176 1.00 . A A . 14 CYS CB 1 1 16 6397 1 1 14 CYS H H 3.989 -4.341 0.923 1.00 . A A . 14 CYS H 1 1 16 6398 1 1 14 CYS HA H 3.484 -7.239 0.594 1.00 . A A . 14 CYS HA 1 1 16 6399 1 1 14 CYS HB3 H 1.756 -6.188 -1.118 1.00 . A A . 14 CYS HB3 1 1 16 6400 1 1 14 CYS N N 4.130 -5.314 1.112 1.00 . A A . 14 CYS N 1 1 16 6401 1 1 14 CYS O O 5.009 -5.300 -1.478 1.00 . A A . 14 CYS O 1 1 16 6402 1 1 14 CYS SG S 0.903 -6.182 1.110 1.00 . A A . 14 CYS SG 1 1 16 6403 1 1 15 LEU C C 4.337 -6.826 -4.148 1.00 . A A . 15 LEU C 1 1 16 6404 1 1 15 LEU CA C 5.081 -7.599 -3.061 1.00 . A A . 15 LEU CA 1 1 16 6405 1 1 15 LEU CB C 5.192 -9.104 -3.373 1.00 . A A . 15 LEU CB 1 1 16 6406 1 1 15 LEU CD1 C 6.330 -8.851 -5.665 1.00 . A A . 15 LEU CD1 1 1 16 6407 1 1 15 LEU CD2 C 7.722 -9.327 -3.630 1.00 . A A . 15 LEU CD2 1 1 16 6408 1 1 15 LEU CG C 6.354 -9.529 -4.292 1.00 . A A . 15 LEU CG 1 1 16 6409 1 1 15 LEU H H 3.684 -8.143 -1.570 1.00 . A A . 15 LEU H 1 1 16 6410 1 1 15 LEU HA H 6.078 -7.176 -2.938 1.00 . A A . 15 LEU HA 1 1 16 6411 1 1 15 LEU HB3 H 4.257 -9.447 -3.815 1.00 . A A . 15 LEU HB3 1 1 16 6412 1 1 15 LEU HD11 H 7.028 -9.359 -6.330 1.00 . A A . 15 LEU HD11 1 1 16 6413 1 1 15 LEU HD12 H 5.330 -8.908 -6.096 1.00 . A A . 15 LEU HD12 1 1 16 6414 1 1 15 LEU HD13 H 6.636 -7.809 -5.581 1.00 . A A . 15 LEU HD13 1 1 16 6415 1 1 15 LEU HD21 H 7.738 -9.810 -2.652 1.00 . A A . 15 LEU HD21 1 1 16 6416 1 1 15 LEU HD22 H 8.495 -9.775 -4.254 1.00 . A A . 15 LEU HD22 1 1 16 6417 1 1 15 LEU HD23 H 7.947 -8.268 -3.509 1.00 . A A . 15 LEU HD23 1 1 16 6418 1 1 15 LEU HG H 6.234 -10.600 -4.461 1.00 . A A . 15 LEU HG 1 1 16 6419 1 1 15 LEU N N 4.352 -7.424 -1.814 1.00 . A A . 15 LEU N 1 1 16 6420 1 1 15 LEU O O 4.945 -6.082 -4.915 1.00 . A A . 15 LEU O 1 1 16 6421 1 1 16 THR C C 1.031 -5.547 -4.547 1.00 . A A . 16 THR C 1 1 16 6422 1 1 16 THR CA C 2.154 -6.367 -5.192 1.00 . A A . 16 THR CA 1 1 16 6423 1 1 16 THR CB C 1.593 -7.471 -6.102 1.00 . A A . 16 THR CB 1 1 16 6424 1 1 16 THR CG2 C 1.060 -6.860 -7.398 1.00 . A A . 16 THR CG2 1 1 16 6425 1 1 16 THR H H 2.585 -7.612 -3.514 1.00 . A A . 16 THR H 1 1 16 6426 1 1 16 THR HA H 2.735 -5.689 -5.819 1.00 . A A . 16 THR HA 1 1 16 6427 1 1 16 THR HB H 0.787 -7.993 -5.587 1.00 . A A . 16 THR HB 1 1 16 6428 1 1 16 THR HG1 H 2.206 -9.186 -6.810 1.00 . A A . 16 THR HG1 1 1 16 6429 1 1 16 THR HG21 H 0.322 -6.091 -7.170 1.00 . A A . 16 THR HG21 1 1 16 6430 1 1 16 THR HG22 H 1.881 -6.404 -7.949 1.00 . A A . 16 THR HG22 1 1 16 6431 1 1 16 THR HG23 H 0.598 -7.633 -8.013 1.00 . A A . 16 THR HG23 1 1 16 6432 1 1 16 THR N N 3.008 -6.975 -4.180 1.00 . A A . 16 THR N 1 1 16 6433 1 1 16 THR O O -0.115 -6.013 -4.479 1.00 . A A . 16 THR O 1 1 16 6434 1 1 16 THR OG1 O 2.607 -8.405 -6.420 1.00 . A A . 16 THR OG1 1 1 16 6435 1 1 17 PRO C C -0.704 -3.010 -4.504 1.00 . A A . 17 PRO C 1 1 16 6436 1 1 17 PRO CA C 0.318 -3.496 -3.479 1.00 . A A . 17 PRO CA 1 1 16 6437 1 1 17 PRO CB C 1.020 -2.392 -2.688 1.00 . A A . 17 PRO CB 1 1 16 6438 1 1 17 PRO CD C 2.568 -4.004 -3.385 1.00 . A A . 17 PRO CD 1 1 16 6439 1 1 17 PRO CG C 2.507 -2.584 -2.904 1.00 . A A . 17 PRO CG 1 1 16 6440 1 1 17 PRO HA H -0.126 -4.146 -2.741 1.00 . A A . 17 PRO HA 1 1 16 6441 1 1 17 PRO HB3 H 0.726 -2.465 -1.651 1.00 . A A . 17 PRO HB3 1 1 16 6442 1 1 17 PRO HD3 H 2.486 -4.492 -2.447 1.00 . A A . 17 PRO HD3 1 1 16 6443 1 1 17 PRO HG3 H 3.085 -2.502 -1.991 1.00 . A A . 17 PRO HG3 1 1 16 6444 1 1 17 PRO N N 1.333 -4.338 -4.047 1.00 . A A . 17 PRO N 1 1 16 6445 1 1 17 PRO O O -0.446 -3.015 -5.705 1.00 . A A . 17 PRO O 1 1 16 6446 1 1 18 ASP C C -2.678 -0.492 -4.699 1.00 . A A . 18 ASP C 1 1 16 6447 1 1 18 ASP CA C -2.949 -1.990 -4.752 1.00 . A A . 18 ASP CA 1 1 16 6448 1 1 18 ASP CB C -4.292 -2.364 -4.096 1.00 . A A . 18 ASP CB 1 1 16 6449 1 1 18 ASP CG C -5.522 -1.817 -4.807 1.00 . A A . 18 ASP CG 1 1 16 6450 1 1 18 ASP H H -1.961 -2.579 -2.996 1.00 . A A . 18 ASP H 1 1 16 6451 1 1 18 ASP HA H -2.943 -2.315 -5.795 1.00 . A A . 18 ASP HA 1 1 16 6452 1 1 18 ASP HB3 H -4.299 -1.980 -3.088 1.00 . A A . 18 ASP HB3 1 1 16 6453 1 1 18 ASP N N -1.875 -2.618 -4.003 1.00 . A A . 18 ASP N 1 1 16 6454 1 1 18 ASP O O -2.393 0.141 -5.713 1.00 . A A . 18 ASP O 1 1 16 6455 1 1 18 ASP OD1 O -5.462 -1.659 -6.039 1.00 . A A . 18 ASP OD1 1 1 16 6456 1 1 18 ASP OD2 O -6.514 -1.519 -4.094 1.00 . A A . 18 ASP OD2 1 1 16 6457 1 1 19 ARG C C -2.246 1.758 -1.818 1.00 . A A . 19 ARG C 1 1 16 6458 1 1 19 ARG CA C -2.552 1.504 -3.284 1.00 . A A . 19 ARG CA 1 1 16 6459 1 1 19 ARG CB C -3.832 2.283 -3.644 1.00 . A A . 19 ARG CB 1 1 16 6460 1 1 19 ARG CD C -6.393 2.070 -4.140 1.00 . A A . 19 ARG CD 1 1 16 6461 1 1 19 ARG CG C -5.101 1.446 -3.603 1.00 . A A . 19 ARG CG 1 1 16 6462 1 1 19 ARG CZ C -8.349 0.789 -3.232 1.00 . A A . 19 ARG CZ 1 1 16 6463 1 1 19 ARG H H -3.027 -0.452 -2.677 1.00 . A A . 19 ARG H 1 1 16 6464 1 1 19 ARG HA H -1.719 1.865 -3.891 1.00 . A A . 19 ARG HA 1 1 16 6465 1 1 19 ARG HB3 H -3.726 2.780 -4.610 1.00 . A A . 19 ARG HB3 1 1 16 6466 1 1 19 ARG HD3 H -6.226 2.373 -5.175 1.00 . A A . 19 ARG HD3 1 1 16 6467 1 1 19 ARG HE H -6.979 0.119 -4.464 1.00 . A A . 19 ARG HE 1 1 16 6468 1 1 19 ARG HG3 H -5.212 1.037 -2.606 1.00 . A A . 19 ARG HG3 1 1 16 6469 1 1 19 ARG HH11 H -8.852 2.742 -3.027 1.00 . A A . 19 ARG HH11 1 1 16 6470 1 1 19 ARG HH12 H -9.620 1.672 -1.870 1.00 . A A . 19 ARG HH12 1 1 16 6471 1 1 19 ARG HH21 H -7.949 -1.172 -3.285 1.00 . A A . 19 ARG HH21 1 1 16 6472 1 1 19 ARG HH22 H -9.303 -0.749 -2.226 1.00 . A A . 19 ARG HH22 1 1 16 6473 1 1 19 ARG N N -2.734 0.082 -3.490 1.00 . A A . 19 ARG N 1 1 16 6474 1 1 19 ARG NE N -7.382 0.994 -4.130 1.00 . A A . 19 ARG NE 1 1 16 6475 1 1 19 ARG NH1 N -9.007 1.811 -2.675 1.00 . A A . 19 ARG NH1 1 1 16 6476 1 1 19 ARG NH2 N -8.605 -0.475 -2.896 1.00 . A A . 19 ARG NH2 1 1 16 6477 1 1 19 ARG O O -2.761 1.063 -0.948 1.00 . A A . 19 ARG O 1 1 16 6478 1 1 20 CYS C C -2.973 4.456 -0.556 1.00 . A A . 20 CYS C 1 1 16 6479 1 1 20 CYS CA C -1.746 3.579 -0.314 1.00 . A A . 20 CYS CA 1 1 16 6480 1 1 20 CYS CB C -0.518 4.417 0.027 1.00 . A A . 20 CYS CB 1 1 16 6481 1 1 20 CYS H H -1.203 3.383 -2.339 1.00 . A A . 20 CYS H 1 1 16 6482 1 1 20 CYS HA H -1.926 2.901 0.515 1.00 . A A . 20 CYS HA 1 1 16 6483 1 1 20 CYS HB3 H -0.336 5.118 -0.785 1.00 . A A . 20 CYS HB3 1 1 16 6484 1 1 20 CYS N N -1.531 2.847 -1.549 1.00 . A A . 20 CYS N 1 1 16 6485 1 1 20 CYS O O -2.924 5.350 -1.400 1.00 . A A . 20 CYS O 1 1 16 6486 1 1 20 CYS SG S -0.724 5.342 1.567 1.00 . A A . 20 CYS SG 1 1 16 6487 1 1 21 SER C C -6.283 4.629 1.006 1.00 . A A . 21 SER C 1 1 16 6488 1 1 21 SER CA C -5.372 4.810 -0.203 1.00 . A A . 21 SER CA 1 1 16 6489 1 1 21 SER CB C -5.981 4.243 -1.491 1.00 . A A . 21 SER CB 1 1 16 6490 1 1 21 SER H H -4.153 3.358 0.706 1.00 . A A . 21 SER H 1 1 16 6491 1 1 21 SER HA H -5.201 5.882 -0.321 1.00 . A A . 21 SER HA 1 1 16 6492 1 1 21 SER HB3 H -7.051 4.417 -1.461 1.00 . A A . 21 SER HB3 1 1 16 6493 1 1 21 SER HG H -4.521 5.180 -2.387 1.00 . A A . 21 SER HG 1 1 16 6494 1 1 21 SER N N -4.111 4.141 0.059 1.00 . A A . 21 SER N 1 1 16 6495 1 1 21 SER O O -6.176 3.621 1.693 1.00 . A A . 21 SER O 1 1 16 6496 1 1 21 SER OG O -5.443 4.959 -2.584 1.00 . A A . 21 SER OG 1 1 16 6497 1 1 22 TYR C C -7.004 5.402 3.760 1.00 . A A . 22 TYR C 1 1 16 6498 1 1 22 TYR CA C -7.917 5.647 2.547 1.00 . A A . 22 TYR CA 1 1 16 6499 1 1 22 TYR CB C -9.092 4.653 2.489 1.00 . A A . 22 TYR CB 1 1 16 6500 1 1 22 TYR CD1 C -10.024 4.703 0.126 1.00 . A A . 22 TYR CD1 1 1 16 6501 1 1 22 TYR CD2 C -11.408 5.531 1.946 1.00 . A A . 22 TYR CD2 1 1 16 6502 1 1 22 TYR CE1 C -11.076 4.931 -0.777 1.00 . A A . 22 TYR CE1 1 1 16 6503 1 1 22 TYR CE2 C -12.461 5.757 1.043 1.00 . A A . 22 TYR CE2 1 1 16 6504 1 1 22 TYR CG C -10.186 4.995 1.493 1.00 . A A . 22 TYR CG 1 1 16 6505 1 1 22 TYR CZ C -12.296 5.451 -0.319 1.00 . A A . 22 TYR CZ 1 1 16 6506 1 1 22 TYR H H -7.195 6.415 0.696 1.00 . A A . 22 TYR H 1 1 16 6507 1 1 22 TYR HA H -8.334 6.649 2.659 1.00 . A A . 22 TYR HA 1 1 16 6508 1 1 22 TYR HB3 H -9.552 4.614 3.477 1.00 . A A . 22 TYR HB3 1 1 16 6509 1 1 22 TYR HD1 H -9.096 4.299 -0.237 1.00 . A A . 22 TYR HD1 1 1 16 6510 1 1 22 TYR HD2 H -11.550 5.753 2.994 1.00 . A A . 22 TYR HD2 1 1 16 6511 1 1 22 TYR HE1 H -10.953 4.703 -1.826 1.00 . A A . 22 TYR HE1 1 1 16 6512 1 1 22 TYR HE2 H -13.397 6.154 1.406 1.00 . A A . 22 TYR HE2 1 1 16 6513 1 1 22 TYR HH H -14.109 6.001 -0.786 1.00 . A A . 22 TYR HH 1 1 16 6514 1 1 22 TYR N N -7.140 5.612 1.306 1.00 . A A . 22 TYR N 1 1 16 6515 1 1 22 TYR O O -7.341 4.649 4.670 1.00 . A A . 22 TYR O 1 1 16 6516 1 1 22 TYR OH O -13.317 5.646 -1.198 1.00 . A A . 22 TYR OH 1 1 16 6517 1 1 23 GLY C C -4.415 4.401 5.074 1.00 . A A . 23 GLY C 1 1 16 6518 1 1 23 GLY CA C -4.804 5.859 4.792 1.00 . A A . 23 GLY CA 1 1 16 6519 1 1 23 GLY H H -5.595 6.624 2.976 1.00 . A A . 23 GLY H 1 1 16 6520 1 1 23 GLY HA2 H -3.909 6.404 4.487 1.00 . A A . 23 GLY HA2 1 1 16 6521 1 1 23 GLY HA3 H -5.194 6.307 5.706 1.00 . A A . 23 GLY HA3 1 1 16 6522 1 1 23 GLY N N -5.812 6.013 3.748 1.00 . A A . 23 GLY N 1 1 16 6523 1 1 23 GLY O O -3.884 4.100 6.146 1.00 . A A . 23 GLY O 1 1 16 6524 1 1 24 THR C C -3.618 1.619 3.085 1.00 . A A . 24 THR C 1 1 16 6525 1 1 24 THR CA C -4.518 2.072 4.229 1.00 . A A . 24 THR CA 1 1 16 6526 1 1 24 THR CB C -5.907 1.419 4.146 1.00 . A A . 24 THR CB 1 1 16 6527 1 1 24 THR CG2 C -5.855 -0.100 4.335 1.00 . A A . 24 THR CG2 1 1 16 6528 1 1 24 THR H H -5.054 3.832 3.241 1.00 . A A . 24 THR H 1 1 16 6529 1 1 24 THR HA H -4.068 1.830 5.184 1.00 . A A . 24 THR HA 1 1 16 6530 1 1 24 THR HB H -6.352 1.620 3.170 1.00 . A A . 24 THR HB 1 1 16 6531 1 1 24 THR HG1 H -6.885 2.899 4.973 1.00 . A A . 24 THR HG1 1 1 16 6532 1 1 24 THR HG21 H -5.445 -0.340 5.314 1.00 . A A . 24 THR HG21 1 1 16 6533 1 1 24 THR HG22 H -6.865 -0.504 4.269 1.00 . A A . 24 THR HG22 1 1 16 6534 1 1 24 THR HG23 H -5.244 -0.565 3.561 1.00 . A A . 24 THR HG23 1 1 16 6535 1 1 24 THR N N -4.668 3.509 4.117 1.00 . A A . 24 THR N 1 1 16 6536 1 1 24 THR O O -3.832 2.035 1.946 1.00 . A A . 24 THR O 1 1 16 6537 1 1 24 THR OG1 O -6.749 1.958 5.147 1.00 . A A . 24 THR OG1 1 1 16 6538 1 1 25 CYS C C -2.547 -1.061 1.805 1.00 . A A . 25 CYS C 1 1 16 6539 1 1 25 CYS CA C -1.811 0.192 2.298 1.00 . A A . 25 CYS CA 1 1 16 6540 1 1 25 CYS CB C -0.320 0.097 2.677 1.00 . A A . 25 CYS CB 1 1 16 6541 1 1 25 CYS H H -2.522 0.417 4.308 1.00 . A A . 25 CYS H 1 1 16 6542 1 1 25 CYS HA H -1.791 0.881 1.456 1.00 . A A . 25 CYS HA 1 1 16 6543 1 1 25 CYS HB3 H -0.135 0.656 3.591 1.00 . A A . 25 CYS HB3 1 1 16 6544 1 1 25 CYS N N -2.614 0.784 3.365 1.00 . A A . 25 CYS N 1 1 16 6545 1 1 25 CYS O O -2.390 -2.172 2.304 1.00 . A A . 25 CYS O 1 1 16 6546 1 1 25 CYS SG S 0.476 -1.500 2.835 1.00 . A A . 25 CYS SG 1 1 16 6547 1 1 26 TYR C C -3.260 -2.718 -0.639 1.00 . A A . 26 TYR C 1 1 16 6548 1 1 26 TYR CA C -4.223 -1.875 0.186 1.00 . A A . 26 TYR CA 1 1 16 6549 1 1 26 TYR CB C -5.231 -1.210 -0.758 1.00 . A A . 26 TYR CB 1 1 16 6550 1 1 26 TYR CD1 C -7.576 -1.360 0.156 1.00 . A A . 26 TYR CD1 1 1 16 6551 1 1 26 TYR CD2 C -6.494 0.813 0.051 1.00 . A A . 26 TYR CD2 1 1 16 6552 1 1 26 TYR CE1 C -8.825 -0.736 0.316 1.00 . A A . 26 TYR CE1 1 1 16 6553 1 1 26 TYR CE2 C -7.746 1.432 0.167 1.00 . A A . 26 TYR CE2 1 1 16 6554 1 1 26 TYR CG C -6.425 -0.583 -0.076 1.00 . A A . 26 TYR CG 1 1 16 6555 1 1 26 TYR CZ C -8.915 0.663 0.243 1.00 . A A . 26 TYR CZ 1 1 16 6556 1 1 26 TYR H H -3.487 0.090 0.452 1.00 . A A . 26 TYR H 1 1 16 6557 1 1 26 TYR HA H -4.743 -2.497 0.918 1.00 . A A . 26 TYR HA 1 1 16 6558 1 1 26 TYR HB3 H -5.642 -1.966 -1.423 1.00 . A A . 26 TYR HB3 1 1 16 6559 1 1 26 TYR HD1 H -7.526 -2.436 0.069 1.00 . A A . 26 TYR HD1 1 1 16 6560 1 1 26 TYR HD2 H -5.603 1.409 -0.077 1.00 . A A . 26 TYR HD2 1 1 16 6561 1 1 26 TYR HE1 H -9.717 -1.343 0.364 1.00 . A A . 26 TYR HE1 1 1 16 6562 1 1 26 TYR HE2 H -7.820 2.501 0.098 1.00 . A A . 26 TYR HE2 1 1 16 6563 1 1 26 TYR HH H -10.856 0.770 0.169 1.00 . A A . 26 TYR HH 1 1 16 6564 1 1 26 TYR N N -3.462 -0.839 0.860 1.00 . A A . 26 TYR N 1 1 16 6565 1 1 26 TYR O O -2.413 -2.135 -1.320 1.00 . A A . 26 TYR O 1 1 16 6566 1 1 26 TYR OH O -10.084 1.231 -0.176 1.00 . A A . 26 TYR OH 1 1 16 6567 1 1 27 CYS C C -3.380 -5.696 -2.470 1.00 . A A . 27 CYS C 1 1 16 6568 1 1 27 CYS CA C -2.576 -4.953 -1.413 1.00 . A A . 27 CYS CA 1 1 16 6569 1 1 27 CYS CB C -1.704 -5.876 -0.557 1.00 . A A . 27 CYS CB 1 1 16 6570 1 1 27 CYS H H -4.128 -4.479 -0.063 1.00 . A A . 27 CYS H 1 1 16 6571 1 1 27 CYS HA H -1.903 -4.326 -1.954 1.00 . A A . 27 CYS HA 1 1 16 6572 1 1 27 CYS HB3 H -0.988 -6.363 -1.217 1.00 . A A . 27 CYS HB3 1 1 16 6573 1 1 27 CYS N N -3.406 -4.053 -0.620 1.00 . A A . 27 CYS N 1 1 16 6574 1 1 27 CYS O O -4.466 -6.193 -2.186 1.00 . A A . 27 CYS O 1 1 16 6575 1 1 27 CYS SG S -0.733 -4.982 0.671 1.00 . A A . 27 CYS SG 1 1 16 6576 1 1 28 LYS C C -3.346 -7.804 -4.837 1.00 . A A . 28 LYS C 1 1 16 6577 1 1 28 LYS CA C -3.522 -6.291 -4.854 1.00 . A A . 28 LYS CA 1 1 16 6578 1 1 28 LYS CB C -2.890 -5.624 -6.083 1.00 . A A . 28 LYS CB 1 1 16 6579 1 1 28 LYS CD C -3.532 -7.047 -8.105 1.00 . A A . 28 LYS CD 1 1 16 6580 1 1 28 LYS CE C -4.832 -7.862 -8.151 1.00 . A A . 28 LYS CE 1 1 16 6581 1 1 28 LYS CG C -3.713 -5.713 -7.363 1.00 . A A . 28 LYS CG 1 1 16 6582 1 1 28 LYS H H -1.931 -5.377 -3.903 1.00 . A A . 28 LYS H 1 1 16 6583 1 1 28 LYS HA H -4.584 -6.040 -4.807 1.00 . A A . 28 LYS HA 1 1 16 6584 1 1 28 LYS HB3 H -1.883 -5.994 -6.263 1.00 . A A . 28 LYS HB3 1 1 16 6585 1 1 28 LYS HD3 H -2.738 -7.622 -7.627 1.00 . A A . 28 LYS HD3 1 1 16 6586 1 1 28 LYS HE3 H -5.540 -7.377 -8.826 1.00 . A A . 28 LYS HE3 1 1 16 6587 1 1 28 LYS HG3 H -3.340 -4.907 -7.998 1.00 . A A . 28 LYS HG3 1 1 16 6588 1 1 28 LYS HZ1 H -3.903 -9.684 -7.975 1.00 . A A . 28 LYS HZ1 1 1 16 6589 1 1 28 LYS HZ2 H -5.437 -9.783 -8.566 1.00 . A A . 28 LYS HZ2 1 1 16 6590 1 1 28 LYS HZ3 H -4.215 -9.260 -9.539 1.00 . A A . 28 LYS HZ3 1 1 16 6591 1 1 28 LYS N N -2.851 -5.747 -3.698 1.00 . A A . 28 LYS N 1 1 16 6592 1 1 28 LYS NZ N -4.583 -9.248 -8.598 1.00 . A A . 28 LYS NZ 1 1 16 6593 1 1 28 LYS O O -4.312 -8.553 -4.983 1.00 . A A . 28 LYS O 1 1 16 6594 1 1 29 THR C C -0.545 -9.879 -3.689 1.00 . A A . 29 THR C 1 1 16 6595 1 1 29 THR CA C -1.803 -9.687 -4.539 1.00 . A A . 29 THR CA 1 1 16 6596 1 1 29 THR CB C -1.738 -10.370 -5.923 1.00 . A A . 29 THR CB 1 1 16 6597 1 1 29 THR CG2 C -1.639 -11.894 -5.801 1.00 . A A . 29 THR CG2 1 1 16 6598 1 1 29 THR H H -1.353 -7.586 -4.556 1.00 . A A . 29 THR H 1 1 16 6599 1 1 29 THR HA H -2.616 -10.159 -3.985 1.00 . A A . 29 THR HA 1 1 16 6600 1 1 29 THR HB H -0.878 -9.998 -6.484 1.00 . A A . 29 THR HB 1 1 16 6601 1 1 29 THR HG1 H -3.609 -9.926 -5.973 1.00 . A A . 29 THR HG1 1 1 16 6602 1 1 29 THR HG21 H -2.485 -12.283 -5.231 1.00 . A A . 29 THR HG21 1 1 16 6603 1 1 29 THR HG22 H -1.652 -12.338 -6.796 1.00 . A A . 29 THR HG22 1 1 16 6604 1 1 29 THR HG23 H -0.712 -12.186 -5.306 1.00 . A A . 29 THR HG23 1 1 16 6605 1 1 29 THR N N -2.102 -8.265 -4.670 1.00 . A A . 29 THR N 1 1 16 6606 1 1 29 THR O O 0.523 -10.223 -4.191 1.00 . A A . 29 THR O 1 1 16 6607 1 1 29 THR OG1 O -2.928 -10.094 -6.642 1.00 . A A . 29 THR OG1 1 1 16 6608 1 1 30 THR C C -0.673 -10.400 -0.114 1.00 . A A . 30 THR C 1 1 16 6609 1 1 30 THR CA C 0.195 -10.245 -1.364 1.00 . A A . 30 THR CA 1 1 16 6610 1 1 30 THR CB C 1.418 -9.349 -1.102 1.00 . A A . 30 THR CB 1 1 16 6611 1 1 30 THR CG2 C 2.472 -10.102 -0.280 1.00 . A A . 30 THR CG2 1 1 16 6612 1 1 30 THR H H -1.566 -9.339 -2.017 1.00 . A A . 30 THR H 1 1 16 6613 1 1 30 THR HA H 0.524 -11.231 -1.699 1.00 . A A . 30 THR HA 1 1 16 6614 1 1 30 THR HB H 1.094 -8.470 -0.548 1.00 . A A . 30 THR HB 1 1 16 6615 1 1 30 THR HG1 H 1.775 -9.551 -3.005 1.00 . A A . 30 THR HG1 1 1 16 6616 1 1 30 THR HG21 H 2.079 -10.361 0.701 1.00 . A A . 30 THR HG21 1 1 16 6617 1 1 30 THR HG22 H 2.774 -11.011 -0.801 1.00 . A A . 30 THR HG22 1 1 16 6618 1 1 30 THR HG23 H 3.355 -9.484 -0.128 1.00 . A A . 30 THR HG23 1 1 16 6619 1 1 30 THR N N -0.684 -9.681 -2.379 1.00 . A A . 30 THR N 1 1 16 6620 1 1 30 THR O O -1.622 -9.636 0.059 1.00 . A A . 30 THR O 1 1 16 6621 1 1 30 THR OG1 O 2.019 -8.920 -2.311 1.00 . A A . 30 THR OG1 1 1 16 6622 1 1 31 NH2 HN1 H 0.373 -12.017 0.560 1.00 . A A . 31 NH2 HN1 1 1 16 6623 1 1 31 NH2 HN2 H -0.977 -11.502 1.552 1.00 . A A . 31 NH2 HN2 1 1 16 6624 1 1 31 NH2 N N -0.396 -11.389 0.734 1.00 . A A . 31 NH2 N 1 1 17 6625 1 1 1 PCA C C 0.697 7.931 8.113 1.00 . A A . 1 PCA C 1 1 17 6626 1 1 1 PCA CA C 1.921 8.226 7.250 1.00 . A A . 1 PCA CA 1 1 17 6627 1 1 1 PCA CB C 3.194 8.425 8.085 1.00 . A A . 1 PCA CB 1 1 17 6628 1 1 1 PCA CD C 2.391 10.478 7.138 1.00 . A A . 1 PCA CD 1 1 17 6629 1 1 1 PCA CG C 3.204 9.939 8.303 1.00 . A A . 1 PCA CG 1 1 17 6630 1 1 1 PCA HA H 2.084 7.410 6.548 1.00 . A A . 1 PCA HA 1 1 17 6631 1 1 1 PCA HB2 H 4.059 8.150 7.481 1.00 . A A . 1 PCA HB2 1 1 17 6632 1 1 1 PCA HB3 H 3.201 7.861 9.020 1.00 . A A . 1 PCA HB3 1 1 17 6633 1 1 1 PCA HG2 H 2.702 10.193 9.237 1.00 . A A . 1 PCA HG2 1 1 17 6634 1 1 1 PCA HG3 H 4.221 10.332 8.301 1.00 . A A . 1 PCA HG3 1 1 17 6635 1 1 1 PCA N N 1.726 9.481 6.555 1.00 . A A . 1 PCA N 1 1 17 6636 1 1 1 PCA O O 0.674 8.276 9.291 1.00 . A A . 1 PCA O 1 1 17 6637 1 1 1 PCA OE O 2.500 11.629 6.744 1.00 . A A . 1 PCA OE 1 1 17 6638 1 1 2 THR C C -0.823 5.160 8.472 1.00 . A A . 2 THR C 1 1 17 6639 1 1 2 THR CA C -1.338 6.585 8.287 1.00 . A A . 2 THR CA 1 1 17 6640 1 1 2 THR CB C -2.700 6.764 7.602 1.00 . A A . 2 THR CB 1 1 17 6641 1 1 2 THR CG2 C -3.854 6.217 8.449 1.00 . A A . 2 THR CG2 1 1 17 6642 1 1 2 THR H H -0.240 7.084 6.530 1.00 . A A . 2 THR H 1 1 17 6643 1 1 2 THR HA H -1.452 6.973 9.287 1.00 . A A . 2 THR HA 1 1 17 6644 1 1 2 THR HB H -2.663 6.303 6.618 1.00 . A A . 2 THR HB 1 1 17 6645 1 1 2 THR HG1 H -2.134 8.555 7.089 1.00 . A A . 2 THR HG1 1 1 17 6646 1 1 2 THR HG21 H -4.803 6.406 7.946 1.00 . A A . 2 THR HG21 1 1 17 6647 1 1 2 THR HG22 H -3.759 5.146 8.617 1.00 . A A . 2 THR HG22 1 1 17 6648 1 1 2 THR HG23 H -3.872 6.725 9.414 1.00 . A A . 2 THR HG23 1 1 17 6649 1 1 2 THR N N -0.314 7.289 7.523 1.00 . A A . 2 THR N 1 1 17 6650 1 1 2 THR O O 0.192 4.965 9.137 1.00 . A A . 2 THR O 1 1 17 6651 1 1 2 THR OG1 O -2.943 8.142 7.404 1.00 . A A . 2 THR OG1 1 1 17 6652 1 1 3 GLN C C 0.503 3.291 6.608 1.00 . A A . 3 GLN C 1 1 17 6653 1 1 3 GLN CA C -0.676 2.945 7.520 1.00 . A A . 3 GLN CA 1 1 17 6654 1 1 3 GLN CB C -1.543 1.911 6.805 1.00 . A A . 3 GLN CB 1 1 17 6655 1 1 3 GLN CD C -3.389 0.232 7.077 1.00 . A A . 3 GLN CD 1 1 17 6656 1 1 3 GLN CG C -2.665 1.367 7.687 1.00 . A A . 3 GLN CG 1 1 17 6657 1 1 3 GLN H H -2.281 4.377 7.321 1.00 . A A . 3 GLN H 1 1 17 6658 1 1 3 GLN HA H -0.293 2.509 8.445 1.00 . A A . 3 GLN HA 1 1 17 6659 1 1 3 GLN HB3 H -0.899 1.076 6.522 1.00 . A A . 3 GLN HB3 1 1 17 6660 1 1 3 GLN HE21 H -4.500 0.217 8.786 1.00 . A A . 3 GLN HE21 1 1 17 6661 1 1 3 GLN HE22 H -4.675 -1.085 7.664 1.00 . A A . 3 GLN HE22 1 1 17 6662 1 1 3 GLN HG3 H -3.470 2.062 7.892 1.00 . A A . 3 GLN HG3 1 1 17 6663 1 1 3 GLN N N -1.422 4.169 7.812 1.00 . A A . 3 GLN N 1 1 17 6664 1 1 3 GLN NE2 N -4.309 -0.219 7.896 1.00 . A A . 3 GLN NE2 1 1 17 6665 1 1 3 GLN O O 1.581 2.717 6.720 1.00 . A A . 3 GLN O 1 1 17 6666 1 1 3 GLN OE1 O -3.126 -0.238 5.972 1.00 . A A . 3 GLN OE1 1 1 17 6667 1 1 4 CYS C C 0.953 6.099 4.362 1.00 . A A . 4 CYS C 1 1 17 6668 1 1 4 CYS CA C 1.155 4.617 4.621 1.00 . A A . 4 CYS CA 1 1 17 6669 1 1 4 CYS CB C 0.846 3.823 3.348 1.00 . A A . 4 CYS CB 1 1 17 6670 1 1 4 CYS H H -0.663 4.639 5.647 1.00 . A A . 4 CYS H 1 1 17 6671 1 1 4 CYS HA H 2.187 4.447 4.930 1.00 . A A . 4 CYS HA 1 1 17 6672 1 1 4 CYS HB3 H 1.143 2.799 3.524 1.00 . A A . 4 CYS HB3 1 1 17 6673 1 1 4 CYS N N 0.250 4.208 5.674 1.00 . A A . 4 CYS N 1 1 17 6674 1 1 4 CYS O O -0.098 6.654 4.693 1.00 . A A . 4 CYS O 1 1 17 6675 1 1 4 CYS SG S -0.886 3.851 2.806 1.00 . A A . 4 CYS SG 1 1 17 6676 1 1 5 GLN C C 1.655 7.991 1.733 1.00 . A A . 5 GLN C 1 1 17 6677 1 1 5 GLN CA C 1.932 8.069 3.233 1.00 . A A . 5 GLN CA 1 1 17 6678 1 1 5 GLN CB C 3.273 8.759 3.489 1.00 . A A . 5 GLN CB 1 1 17 6679 1 1 5 GLN CD C 4.382 11.039 3.513 1.00 . A A . 5 GLN CD 1 1 17 6680 1 1 5 GLN CG C 3.064 10.276 3.439 1.00 . A A . 5 GLN CG 1 1 17 6681 1 1 5 GLN H H 2.866 6.220 3.723 1.00 . A A . 5 GLN H 1 1 17 6682 1 1 5 GLN HA H 1.157 8.677 3.696 1.00 . A A . 5 GLN HA 1 1 17 6683 1 1 5 GLN HB3 H 4.001 8.449 2.739 1.00 . A A . 5 GLN HB3 1 1 17 6684 1 1 5 GLN HE21 H 3.858 11.950 5.265 1.00 . A A . 5 GLN HE21 1 1 17 6685 1 1 5 GLN HE22 H 5.442 12.350 4.621 1.00 . A A . 5 GLN HE22 1 1 17 6686 1 1 5 GLN HG3 H 2.414 10.588 4.252 1.00 . A A . 5 GLN HG3 1 1 17 6687 1 1 5 GLN N N 1.979 6.727 3.792 1.00 . A A . 5 GLN N 1 1 17 6688 1 1 5 GLN NE2 N 4.575 11.841 4.557 1.00 . A A . 5 GLN NE2 1 1 17 6689 1 1 5 GLN O O 1.033 8.884 1.160 1.00 . A A . 5 GLN O 1 1 17 6690 1 1 5 GLN OE1 O 5.228 10.914 2.633 1.00 . A A . 5 GLN OE1 1 1 17 6691 1 1 6 SER C C 2.409 5.338 -0.715 1.00 . A A . 6 SER C 1 1 17 6692 1 1 6 SER CA C 2.123 6.796 -0.372 1.00 . A A . 6 SER CA 1 1 17 6693 1 1 6 SER CB C 3.156 7.725 -1.026 1.00 . A A . 6 SER CB 1 1 17 6694 1 1 6 SER H H 2.618 6.218 1.620 1.00 . A A . 6 SER H 1 1 17 6695 1 1 6 SER HA H 1.125 7.044 -0.739 1.00 . A A . 6 SER HA 1 1 17 6696 1 1 6 SER HB3 H 3.335 7.421 -2.058 1.00 . A A . 6 SER HB3 1 1 17 6697 1 1 6 SER HG H 2.132 9.215 -0.275 1.00 . A A . 6 SER HG 1 1 17 6698 1 1 6 SER N N 2.172 6.952 1.077 1.00 . A A . 6 SER N 1 1 17 6699 1 1 6 SER O O 2.853 4.586 0.144 1.00 . A A . 6 SER O 1 1 17 6700 1 1 6 SER OG O 2.688 9.057 -1.051 1.00 . A A . 6 SER OG 1 1 17 6701 1 1 7 VAL C C 3.611 2.905 -1.961 1.00 . A A . 7 VAL C 1 1 17 6702 1 1 7 VAL CA C 2.293 3.553 -2.408 1.00 . A A . 7 VAL CA 1 1 17 6703 1 1 7 VAL CB C 2.059 3.520 -3.926 1.00 . A A . 7 VAL CB 1 1 17 6704 1 1 7 VAL CG1 C 3.213 4.122 -4.739 1.00 . A A . 7 VAL CG1 1 1 17 6705 1 1 7 VAL CG2 C 1.769 2.092 -4.376 1.00 . A A . 7 VAL CG2 1 1 17 6706 1 1 7 VAL H H 1.755 5.553 -2.640 1.00 . A A . 7 VAL H 1 1 17 6707 1 1 7 VAL HA H 1.487 2.991 -1.933 1.00 . A A . 7 VAL HA 1 1 17 6708 1 1 7 VAL HB H 1.162 4.101 -4.143 1.00 . A A . 7 VAL HB 1 1 17 6709 1 1 7 VAL HG11 H 3.426 5.135 -4.398 1.00 . A A . 7 VAL HG11 1 1 17 6710 1 1 7 VAL HG12 H 4.109 3.511 -4.646 1.00 . A A . 7 VAL HG12 1 1 17 6711 1 1 7 VAL HG13 H 2.929 4.162 -5.791 1.00 . A A . 7 VAL HG13 1 1 17 6712 1 1 7 VAL HG21 H 2.634 1.458 -4.195 1.00 . A A . 7 VAL HG21 1 1 17 6713 1 1 7 VAL HG22 H 0.913 1.724 -3.814 1.00 . A A . 7 VAL HG22 1 1 17 6714 1 1 7 VAL HG23 H 1.528 2.093 -5.438 1.00 . A A . 7 VAL HG23 1 1 17 6715 1 1 7 VAL N N 2.162 4.929 -1.963 1.00 . A A . 7 VAL N 1 1 17 6716 1 1 7 VAL O O 3.613 1.744 -1.561 1.00 . A A . 7 VAL O 1 1 17 6717 1 1 8 ARG C C 5.961 2.563 -0.124 1.00 . A A . 8 ARG C 1 1 17 6718 1 1 8 ARG CA C 6.024 3.219 -1.509 1.00 . A A . 8 ARG CA 1 1 17 6719 1 1 8 ARG CB C 7.016 4.387 -1.508 1.00 . A A . 8 ARG CB 1 1 17 6720 1 1 8 ARG CD C 8.397 5.943 -2.930 1.00 . A A . 8 ARG CD 1 1 17 6721 1 1 8 ARG CG C 7.262 4.913 -2.929 1.00 . A A . 8 ARG CG 1 1 17 6722 1 1 8 ARG CZ C 8.003 7.393 -4.939 1.00 . A A . 8 ARG CZ 1 1 17 6723 1 1 8 ARG H H 4.619 4.610 -2.302 1.00 . A A . 8 ARG H 1 1 17 6724 1 1 8 ARG HA H 6.390 2.470 -2.208 1.00 . A A . 8 ARG HA 1 1 17 6725 1 1 8 ARG HB3 H 7.961 4.023 -1.098 1.00 . A A . 8 ARG HB3 1 1 17 6726 1 1 8 ARG HD3 H 9.299 5.453 -2.557 1.00 . A A . 8 ARG HD3 1 1 17 6727 1 1 8 ARG HE H 9.461 5.985 -4.757 1.00 . A A . 8 ARG HE 1 1 17 6728 1 1 8 ARG HG3 H 6.348 5.359 -3.322 1.00 . A A . 8 ARG HG3 1 1 17 6729 1 1 8 ARG HH11 H 6.715 7.723 -3.408 1.00 . A A . 8 ARG HH11 1 1 17 6730 1 1 8 ARG HH12 H 6.443 8.732 -4.795 1.00 . A A . 8 ARG HH12 1 1 17 6731 1 1 8 ARG HH21 H 9.134 7.287 -6.639 1.00 . A A . 8 ARG HH21 1 1 17 6732 1 1 8 ARG HH22 H 7.861 8.459 -6.686 1.00 . A A . 8 ARG HH22 1 1 17 6733 1 1 8 ARG N N 4.713 3.665 -1.974 1.00 . A A . 8 ARG N 1 1 17 6734 1 1 8 ARG NE N 8.681 6.431 -4.291 1.00 . A A . 8 ARG NE 1 1 17 6735 1 1 8 ARG NH1 N 6.968 7.999 -4.343 1.00 . A A . 8 ARG NH1 1 1 17 6736 1 1 8 ARG NH2 N 8.358 7.741 -6.181 1.00 . A A . 8 ARG NH2 1 1 17 6737 1 1 8 ARG O O 6.595 1.535 0.104 1.00 . A A . 8 ARG O 1 1 17 6738 1 1 9 ASP C C 4.355 1.170 1.990 1.00 . A A . 9 ASP C 1 1 17 6739 1 1 9 ASP CA C 4.990 2.549 2.106 1.00 . A A . 9 ASP CA 1 1 17 6740 1 1 9 ASP CB C 4.168 3.509 2.966 1.00 . A A . 9 ASP CB 1 1 17 6741 1 1 9 ASP CG C 4.997 4.519 3.743 1.00 . A A . 9 ASP CG 1 1 17 6742 1 1 9 ASP H H 4.562 3.902 0.559 1.00 . A A . 9 ASP H 1 1 17 6743 1 1 9 ASP HA H 5.959 2.395 2.555 1.00 . A A . 9 ASP HA 1 1 17 6744 1 1 9 ASP HB3 H 3.540 2.950 3.646 1.00 . A A . 9 ASP HB3 1 1 17 6745 1 1 9 ASP N N 5.166 3.123 0.789 1.00 . A A . 9 ASP N 1 1 17 6746 1 1 9 ASP O O 4.814 0.211 2.615 1.00 . A A . 9 ASP O 1 1 17 6747 1 1 9 ASP OD1 O 6.119 4.168 4.177 1.00 . A A . 9 ASP OD1 1 1 17 6748 1 1 9 ASP OD2 O 4.456 5.640 3.880 1.00 . A A . 9 ASP OD2 1 1 17 6749 1 1 10 CYS C C 3.970 -1.158 0.217 1.00 . A A . 10 CYS C 1 1 17 6750 1 1 10 CYS CA C 2.880 -0.326 0.881 1.00 . A A . 10 CYS CA 1 1 17 6751 1 1 10 CYS CB C 1.574 -0.469 0.093 1.00 . A A . 10 CYS CB 1 1 17 6752 1 1 10 CYS H H 3.070 1.785 0.524 1.00 . A A . 10 CYS H 1 1 17 6753 1 1 10 CYS HA H 2.714 -0.778 1.856 1.00 . A A . 10 CYS HA 1 1 17 6754 1 1 10 CYS HB3 H 1.908 -0.744 -0.865 1.00 . A A . 10 CYS HB3 1 1 17 6755 1 1 10 CYS N N 3.338 1.024 1.134 1.00 . A A . 10 CYS N 1 1 17 6756 1 1 10 CYS O O 4.025 -2.345 0.481 1.00 . A A . 10 CYS O 1 1 17 6757 1 1 10 CYS SG S 0.481 -1.781 0.711 1.00 . A A . 10 CYS SG 1 1 17 6758 1 1 11 GLN C C 6.814 -1.966 -0.274 1.00 . A A . 11 GLN C 1 1 17 6759 1 1 11 GLN CA C 5.855 -1.387 -1.322 1.00 . A A . 11 GLN CA 1 1 17 6760 1 1 11 GLN CB C 6.618 -0.590 -2.387 1.00 . A A . 11 GLN CB 1 1 17 6761 1 1 11 GLN CD C 6.476 0.645 -4.589 1.00 . A A . 11 GLN CD 1 1 17 6762 1 1 11 GLN CG C 5.721 -0.199 -3.569 1.00 . A A . 11 GLN CG 1 1 17 6763 1 1 11 GLN H H 4.694 0.381 -0.895 1.00 . A A . 11 GLN H 1 1 17 6764 1 1 11 GLN HA H 5.374 -2.216 -1.846 1.00 . A A . 11 GLN HA 1 1 17 6765 1 1 11 GLN HB3 H 7.422 -1.222 -2.769 1.00 . A A . 11 GLN HB3 1 1 17 6766 1 1 11 GLN HE21 H 7.619 -0.938 -5.159 1.00 . A A . 11 GLN HE21 1 1 17 6767 1 1 11 GLN HE22 H 7.931 0.579 -5.985 1.00 . A A . 11 GLN HE22 1 1 17 6768 1 1 11 GLN HG3 H 4.866 0.369 -3.216 1.00 . A A . 11 GLN HG3 1 1 17 6769 1 1 11 GLN N N 4.807 -0.599 -0.667 1.00 . A A . 11 GLN N 1 1 17 6770 1 1 11 GLN NE2 N 7.421 0.042 -5.301 1.00 . A A . 11 GLN NE2 1 1 17 6771 1 1 11 GLN O O 7.242 -3.109 -0.383 1.00 . A A . 11 GLN O 1 1 17 6772 1 1 11 GLN OE1 O 6.216 1.836 -4.737 1.00 . A A . 11 GLN OE1 1 1 17 6773 1 1 12 GLN C C 7.110 -2.886 2.545 1.00 . A A . 12 GLN C 1 1 17 6774 1 1 12 GLN CA C 7.858 -1.691 1.925 1.00 . A A . 12 GLN CA 1 1 17 6775 1 1 12 GLN CB C 8.077 -0.556 2.944 1.00 . A A . 12 GLN CB 1 1 17 6776 1 1 12 GLN CD C 8.535 1.977 2.736 1.00 . A A . 12 GLN CD 1 1 17 6777 1 1 12 GLN CG C 9.007 0.554 2.412 1.00 . A A . 12 GLN CG 1 1 17 6778 1 1 12 GLN H H 6.791 -0.225 0.767 1.00 . A A . 12 GLN H 1 1 17 6779 1 1 12 GLN HA H 8.836 -2.046 1.595 1.00 . A A . 12 GLN HA 1 1 17 6780 1 1 12 GLN HB3 H 8.522 -0.974 3.848 1.00 . A A . 12 GLN HB3 1 1 17 6781 1 1 12 GLN HE21 H 7.892 1.463 4.601 1.00 . A A . 12 GLN HE21 1 1 17 6782 1 1 12 GLN HE22 H 7.459 3.081 4.067 1.00 . A A . 12 GLN HE22 1 1 17 6783 1 1 12 GLN HG3 H 9.082 0.483 1.327 1.00 . A A . 12 GLN HG3 1 1 17 6784 1 1 12 GLN N N 7.129 -1.185 0.764 1.00 . A A . 12 GLN N 1 1 17 6785 1 1 12 GLN NE2 N 7.991 2.206 3.930 1.00 . A A . 12 GLN NE2 1 1 17 6786 1 1 12 GLN O O 7.734 -3.860 2.960 1.00 . A A . 12 GLN O 1 1 17 6787 1 1 12 GLN OE1 O 8.645 2.865 1.896 1.00 . A A . 12 GLN OE1 1 1 17 6788 1 1 13 TYR C C 4.695 -5.092 2.376 1.00 . A A . 13 TYR C 1 1 17 6789 1 1 13 TYR CA C 4.918 -3.826 3.229 1.00 . A A . 13 TYR CA 1 1 17 6790 1 1 13 TYR CB C 3.565 -3.176 3.550 1.00 . A A . 13 TYR CB 1 1 17 6791 1 1 13 TYR CD1 C 2.040 -4.905 4.604 1.00 . A A . 13 TYR CD1 1 1 17 6792 1 1 13 TYR CD2 C 2.988 -3.163 6.014 1.00 . A A . 13 TYR CD2 1 1 17 6793 1 1 13 TYR CE1 C 1.369 -5.441 5.718 1.00 . A A . 13 TYR CE1 1 1 17 6794 1 1 13 TYR CE2 C 2.318 -3.700 7.129 1.00 . A A . 13 TYR CE2 1 1 17 6795 1 1 13 TYR CG C 2.847 -3.763 4.750 1.00 . A A . 13 TYR CG 1 1 17 6796 1 1 13 TYR CZ C 1.509 -4.839 6.978 1.00 . A A . 13 TYR CZ 1 1 17 6797 1 1 13 TYR H H 5.337 -1.956 2.285 1.00 . A A . 13 TYR H 1 1 17 6798 1 1 13 TYR HA H 5.384 -4.124 4.171 1.00 . A A . 13 TYR HA 1 1 17 6799 1 1 13 TYR HB3 H 2.911 -3.250 2.679 1.00 . A A . 13 TYR HB3 1 1 17 6800 1 1 13 TYR HD1 H 1.943 -5.384 3.644 1.00 . A A . 13 TYR HD1 1 1 17 6801 1 1 13 TYR HD2 H 3.610 -2.289 6.136 1.00 . A A . 13 TYR HD2 1 1 17 6802 1 1 13 TYR HE1 H 0.754 -6.321 5.605 1.00 . A A . 13 TYR HE1 1 1 17 6803 1 1 13 TYR HE2 H 2.434 -3.230 8.094 1.00 . A A . 13 TYR HE2 1 1 17 6804 1 1 13 TYR HH H 1.032 -4.889 8.867 1.00 . A A . 13 TYR HH 1 1 17 6805 1 1 13 TYR N N 5.777 -2.812 2.611 1.00 . A A . 13 TYR N 1 1 17 6806 1 1 13 TYR O O 4.547 -6.186 2.919 1.00 . A A . 13 TYR O 1 1 17 6807 1 1 13 TYR OH O 0.860 -5.368 8.054 1.00 . A A . 13 TYR OH 1 1 17 6808 1 1 14 CYS C C 4.774 -5.833 -1.184 1.00 . A A . 14 CYS C 1 1 17 6809 1 1 14 CYS CA C 3.972 -5.873 0.107 1.00 . A A . 14 CYS CA 1 1 17 6810 1 1 14 CYS CB C 2.528 -5.450 -0.226 1.00 . A A . 14 CYS CB 1 1 17 6811 1 1 14 CYS H H 4.808 -4.022 0.695 1.00 . A A . 14 CYS H 1 1 17 6812 1 1 14 CYS HA H 3.973 -6.887 0.511 1.00 . A A . 14 CYS HA 1 1 17 6813 1 1 14 CYS HB3 H 2.211 -5.825 -1.205 1.00 . A A . 14 CYS HB3 1 1 17 6814 1 1 14 CYS N N 4.573 -4.935 1.056 1.00 . A A . 14 CYS N 1 1 17 6815 1 1 14 CYS O O 5.124 -4.757 -1.655 1.00 . A A . 14 CYS O 1 1 17 6816 1 1 14 CYS SG S 1.277 -6.024 0.945 1.00 . A A . 14 CYS SG 1 1 17 6817 1 1 15 LEU C C 4.959 -6.275 -4.141 1.00 . A A . 15 LEU C 1 1 17 6818 1 1 15 LEU CA C 5.720 -7.069 -3.071 1.00 . A A . 15 LEU CA 1 1 17 6819 1 1 15 LEU CB C 5.923 -8.546 -3.460 1.00 . A A . 15 LEU CB 1 1 17 6820 1 1 15 LEU CD1 C 7.185 -8.054 -5.652 1.00 . A A . 15 LEU CD1 1 1 17 6821 1 1 15 LEU CD2 C 8.469 -8.663 -3.585 1.00 . A A . 15 LEU CD2 1 1 17 6822 1 1 15 LEU CG C 7.148 -8.850 -4.344 1.00 . A A . 15 LEU CG 1 1 17 6823 1 1 15 LEU H H 4.705 -7.852 -1.362 1.00 . A A . 15 LEU H 1 1 17 6824 1 1 15 LEU HA H 6.692 -6.598 -2.919 1.00 . A A . 15 LEU HA 1 1 17 6825 1 1 15 LEU HB3 H 5.026 -8.909 -3.963 1.00 . A A . 15 LEU HB3 1 1 17 6826 1 1 15 LEU HD11 H 6.222 -8.116 -6.159 1.00 . A A . 15 LEU HD11 1 1 17 6827 1 1 15 LEU HD12 H 7.431 -7.011 -5.456 1.00 . A A . 15 LEU HD12 1 1 17 6828 1 1 15 LEU HD13 H 7.952 -8.468 -6.305 1.00 . A A . 15 LEU HD13 1 1 17 6829 1 1 15 LEU HD21 H 8.640 -7.614 -3.348 1.00 . A A . 15 LEU HD21 1 1 17 6830 1 1 15 LEU HD22 H 8.453 -9.241 -2.660 1.00 . A A . 15 LEU HD22 1 1 17 6831 1 1 15 LEU HD23 H 9.295 -9.019 -4.201 1.00 . A A . 15 LEU HD23 1 1 17 6832 1 1 15 LEU HG H 7.081 -9.906 -4.612 1.00 . A A . 15 LEU HG 1 1 17 6833 1 1 15 LEU N N 5.009 -6.995 -1.800 1.00 . A A . 15 LEU N 1 1 17 6834 1 1 15 LEU O O 5.549 -5.458 -4.843 1.00 . A A . 15 LEU O 1 1 17 6835 1 1 16 THR C C 1.569 -5.196 -4.629 1.00 . A A . 16 THR C 1 1 17 6836 1 1 16 THR CA C 2.799 -5.861 -5.262 1.00 . A A . 16 THR CA 1 1 17 6837 1 1 16 THR CB C 2.389 -6.885 -6.333 1.00 . A A . 16 THR CB 1 1 17 6838 1 1 16 THR CG2 C 1.792 -6.177 -7.551 1.00 . A A . 16 THR CG2 1 1 17 6839 1 1 16 THR H H 3.212 -7.163 -3.622 1.00 . A A . 16 THR H 1 1 17 6840 1 1 16 THR HA H 3.357 -5.076 -5.774 1.00 . A A . 16 THR HA 1 1 17 6841 1 1 16 THR HB H 1.654 -7.581 -5.921 1.00 . A A . 16 THR HB 1 1 17 6842 1 1 16 THR HG1 H 3.936 -8.023 -6.011 1.00 . A A . 16 THR HG1 1 1 17 6843 1 1 16 THR HG21 H 2.540 -5.524 -8.001 1.00 . A A . 16 THR HG21 1 1 17 6844 1 1 16 THR HG22 H 1.478 -6.919 -8.285 1.00 . A A . 16 THR HG22 1 1 17 6845 1 1 16 THR HG23 H 0.932 -5.576 -7.255 1.00 . A A . 16 THR HG23 1 1 17 6846 1 1 16 THR N N 3.644 -6.508 -4.258 1.00 . A A . 16 THR N 1 1 17 6847 1 1 16 THR O O 0.479 -5.777 -4.623 1.00 . A A . 16 THR O 1 1 17 6848 1 1 16 THR OG1 O 3.514 -7.617 -6.772 1.00 . A A . 16 THR OG1 1 1 17 6849 1 1 17 PRO C C -0.406 -2.840 -4.670 1.00 . A A . 17 PRO C 1 1 17 6850 1 1 17 PRO CA C 0.587 -3.244 -3.582 1.00 . A A . 17 PRO CA 1 1 17 6851 1 1 17 PRO CB C 1.142 -2.074 -2.777 1.00 . A A . 17 PRO CB 1 1 17 6852 1 1 17 PRO CD C 2.874 -3.513 -3.382 1.00 . A A . 17 PRO CD 1 1 17 6853 1 1 17 PRO CG C 2.644 -2.093 -2.967 1.00 . A A . 17 PRO CG 1 1 17 6854 1 1 17 PRO HA H 0.163 -3.930 -2.861 1.00 . A A . 17 PRO HA 1 1 17 6855 1 1 17 PRO HB3 H 0.848 -2.214 -1.747 1.00 . A A . 17 PRO HB3 1 1 17 6856 1 1 17 PRO HD3 H 2.798 -3.965 -2.423 1.00 . A A . 17 PRO HD3 1 1 17 6857 1 1 17 PRO HG3 H 3.181 -1.910 -2.055 1.00 . A A . 17 PRO HG3 1 1 17 6858 1 1 17 PRO N N 1.712 -3.977 -4.090 1.00 . A A . 17 PRO N 1 1 17 6859 1 1 17 PRO O O -0.091 -2.863 -5.860 1.00 . A A . 17 PRO O 1 1 17 6860 1 1 18 ASP C C -2.689 -0.471 -4.978 1.00 . A A . 18 ASP C 1 1 17 6861 1 1 18 ASP CA C -2.705 -1.997 -5.067 1.00 . A A . 18 ASP CA 1 1 17 6862 1 1 18 ASP CB C -4.044 -2.594 -4.583 1.00 . A A . 18 ASP CB 1 1 17 6863 1 1 18 ASP CG C -5.085 -2.762 -5.682 1.00 . A A . 18 ASP CG 1 1 17 6864 1 1 18 ASP H H -1.756 -2.445 -3.241 1.00 . A A . 18 ASP H 1 1 17 6865 1 1 18 ASP HA H -2.509 -2.290 -6.098 1.00 . A A . 18 ASP HA 1 1 17 6866 1 1 18 ASP HB3 H -4.470 -1.949 -3.821 1.00 . A A . 18 ASP HB3 1 1 17 6867 1 1 18 ASP N N -1.618 -2.491 -4.240 1.00 . A A . 18 ASP N 1 1 17 6868 1 1 18 ASP O O -2.567 0.207 -5.995 1.00 . A A . 18 ASP O 1 1 17 6869 1 1 18 ASP OD1 O -4.698 -2.883 -6.863 1.00 . A A . 18 ASP OD1 1 1 17 6870 1 1 18 ASP OD2 O -6.291 -2.747 -5.346 1.00 . A A . 18 ASP OD2 1 1 17 6871 1 1 19 ARG C C -2.311 1.774 -2.075 1.00 . A A . 19 ARG C 1 1 17 6872 1 1 19 ARG CA C -2.696 1.510 -3.530 1.00 . A A . 19 ARG CA 1 1 17 6873 1 1 19 ARG CB C -4.043 2.192 -3.824 1.00 . A A . 19 ARG CB 1 1 17 6874 1 1 19 ARG CD C -6.618 1.892 -4.028 1.00 . A A . 19 ARG CD 1 1 17 6875 1 1 19 ARG CG C -5.264 1.318 -3.577 1.00 . A A . 19 ARG CG 1 1 17 6876 1 1 19 ARG CZ C -7.638 -0.287 -4.522 1.00 . A A . 19 ARG CZ 1 1 17 6877 1 1 19 ARG H H -3.021 -0.475 -2.937 1.00 . A A . 19 ARG H 1 1 17 6878 1 1 19 ARG HA H -1.924 1.938 -4.172 1.00 . A A . 19 ARG HA 1 1 17 6879 1 1 19 ARG HB3 H -4.056 2.606 -4.833 1.00 . A A . 19 ARG HB3 1 1 17 6880 1 1 19 ARG HD3 H -6.558 2.199 -5.073 1.00 . A A . 19 ARG HD3 1 1 17 6881 1 1 19 ARG HE H -8.134 0.887 -2.949 1.00 . A A . 19 ARG HE 1 1 17 6882 1 1 19 ARG HG3 H -5.239 1.044 -2.532 1.00 . A A . 19 ARG HG3 1 1 17 6883 1 1 19 ARG HH11 H -6.758 0.482 -6.214 1.00 . A A . 19 ARG HH11 1 1 17 6884 1 1 19 ARG HH12 H -6.853 -1.274 -6.071 1.00 . A A . 19 ARG HH12 1 1 17 6885 1 1 19 ARG HH21 H -8.454 -1.476 -3.043 1.00 . A A . 19 ARG HH21 1 1 17 6886 1 1 19 ARG HH22 H -7.642 -2.266 -4.398 1.00 . A A . 19 ARG HH22 1 1 17 6887 1 1 19 ARG N N -2.792 0.079 -3.759 1.00 . A A . 19 ARG N 1 1 17 6888 1 1 19 ARG NE N -7.654 0.865 -3.836 1.00 . A A . 19 ARG NE 1 1 17 6889 1 1 19 ARG NH1 N -7.111 -0.335 -5.746 1.00 . A A . 19 ARG NH1 1 1 17 6890 1 1 19 ARG NH2 N -8.052 -1.425 -3.966 1.00 . A A . 19 ARG NH2 1 1 17 6891 1 1 19 ARG O O -2.663 0.995 -1.196 1.00 . A A . 19 ARG O 1 1 17 6892 1 1 20 CYS C C -3.129 4.489 -0.748 1.00 . A A . 20 CYS C 1 1 17 6893 1 1 20 CYS CA C -1.901 3.610 -0.542 1.00 . A A . 20 CYS CA 1 1 17 6894 1 1 20 CYS CB C -0.699 4.471 -0.164 1.00 . A A . 20 CYS CB 1 1 17 6895 1 1 20 CYS H H -1.504 3.528 -2.605 1.00 . A A . 20 CYS H 1 1 17 6896 1 1 20 CYS HA H -2.076 2.899 0.260 1.00 . A A . 20 CYS HA 1 1 17 6897 1 1 20 CYS HB3 H -0.521 5.199 -0.953 1.00 . A A . 20 CYS HB3 1 1 17 6898 1 1 20 CYS N N -1.699 2.930 -1.816 1.00 . A A . 20 CYS N 1 1 17 6899 1 1 20 CYS O O -3.138 5.303 -1.673 1.00 . A A . 20 CYS O 1 1 17 6900 1 1 20 CYS SG S -0.962 5.368 1.386 1.00 . A A . 20 CYS SG 1 1 17 6901 1 1 21 SER C C -6.348 4.776 0.987 1.00 . A A . 21 SER C 1 1 17 6902 1 1 21 SER CA C -5.490 4.888 -0.266 1.00 . A A . 21 SER CA 1 1 17 6903 1 1 21 SER CB C -6.126 4.194 -1.476 1.00 . A A . 21 SER CB 1 1 17 6904 1 1 21 SER H H -4.199 3.542 0.714 1.00 . A A . 21 SER H 1 1 17 6905 1 1 21 SER HA H -5.346 5.950 -0.478 1.00 . A A . 21 SER HA 1 1 17 6906 1 1 21 SER HB3 H -7.207 4.272 -1.399 1.00 . A A . 21 SER HB3 1 1 17 6907 1 1 21 SER HG H -4.775 5.128 -2.533 1.00 . A A . 21 SER HG 1 1 17 6908 1 1 21 SER N N -4.208 4.262 -0.003 1.00 . A A . 21 SER N 1 1 17 6909 1 1 21 SER O O -6.268 3.772 1.683 1.00 . A A . 21 SER O 1 1 17 6910 1 1 21 SER OG O -5.702 4.867 -2.646 1.00 . A A . 21 SER OG 1 1 17 6911 1 1 22 TYR C C -6.912 5.656 3.770 1.00 . A A . 22 TYR C 1 1 17 6912 1 1 22 TYR CA C -7.851 5.907 2.581 1.00 . A A . 22 TYR CA 1 1 17 6913 1 1 22 TYR CB C -9.051 4.943 2.583 1.00 . A A . 22 TYR CB 1 1 17 6914 1 1 22 TYR CD1 C -11.036 6.076 1.492 1.00 . A A . 22 TYR CD1 1 1 17 6915 1 1 22 TYR CD2 C -9.879 4.317 0.269 1.00 . A A . 22 TYR CD2 1 1 17 6916 1 1 22 TYR CE1 C -11.940 6.223 0.424 1.00 . A A . 22 TYR CE1 1 1 17 6917 1 1 22 TYR CE2 C -10.779 4.469 -0.798 1.00 . A A . 22 TYR CE2 1 1 17 6918 1 1 22 TYR CG C -10.006 5.119 1.419 1.00 . A A . 22 TYR CG 1 1 17 6919 1 1 22 TYR CZ C -11.813 5.416 -0.719 1.00 . A A . 22 TYR CZ 1 1 17 6920 1 1 22 TYR H H -7.166 6.607 0.691 1.00 . A A . 22 TYR H 1 1 17 6921 1 1 22 TYR HA H -8.235 6.923 2.673 1.00 . A A . 22 TYR HA 1 1 17 6922 1 1 22 TYR HB3 H -9.610 5.097 3.508 1.00 . A A . 22 TYR HB3 1 1 17 6923 1 1 22 TYR HD1 H -11.143 6.694 2.372 1.00 . A A . 22 TYR HD1 1 1 17 6924 1 1 22 TYR HD2 H -9.092 3.585 0.201 1.00 . A A . 22 TYR HD2 1 1 17 6925 1 1 22 TYR HE1 H -12.732 6.953 0.496 1.00 . A A . 22 TYR HE1 1 1 17 6926 1 1 22 TYR HE2 H -10.687 3.850 -1.678 1.00 . A A . 22 TYR HE2 1 1 17 6927 1 1 22 TYR HH H -13.364 6.208 -1.596 1.00 . A A . 22 TYR HH 1 1 17 6928 1 1 22 TYR N N -7.122 5.815 1.316 1.00 . A A . 22 TYR N 1 1 17 6929 1 1 22 TYR O O -7.259 4.947 4.712 1.00 . A A . 22 TYR O 1 1 17 6930 1 1 22 TYR OH O -12.689 5.547 -1.753 1.00 . A A . 22 TYR OH 1 1 17 6931 1 1 23 GLY C C -4.324 4.538 4.996 1.00 . A A . 23 GLY C 1 1 17 6932 1 1 23 GLY CA C -4.643 6.009 4.697 1.00 . A A . 23 GLY CA 1 1 17 6933 1 1 23 GLY H H -5.470 6.768 2.893 1.00 . A A . 23 GLY H 1 1 17 6934 1 1 23 GLY HA2 H -3.734 6.492 4.339 1.00 . A A . 23 GLY HA2 1 1 17 6935 1 1 23 GLY HA3 H -4.960 6.503 5.615 1.00 . A A . 23 GLY HA3 1 1 17 6936 1 1 23 GLY N N -5.689 6.196 3.694 1.00 . A A . 23 GLY N 1 1 17 6937 1 1 23 GLY O O -3.723 4.230 6.027 1.00 . A A . 23 GLY O 1 1 17 6938 1 1 24 THR C C -3.759 1.714 3.049 1.00 . A A . 24 THR C 1 1 17 6939 1 1 24 THR CA C -4.621 2.198 4.210 1.00 . A A . 24 THR CA 1 1 17 6940 1 1 24 THR CB C -6.040 1.610 4.156 1.00 . A A . 24 THR CB 1 1 17 6941 1 1 24 THR CG2 C -6.066 0.094 4.368 1.00 . A A . 24 THR CG2 1 1 17 6942 1 1 24 THR H H -5.136 3.966 3.233 1.00 . A A . 24 THR H 1 1 17 6943 1 1 24 THR HA H -4.167 1.936 5.159 1.00 . A A . 24 THR HA 1 1 17 6944 1 1 24 THR HB H -6.483 1.818 3.184 1.00 . A A . 24 THR HB 1 1 17 6945 1 1 24 THR HG1 H -6.908 3.160 4.988 1.00 . A A . 24 THR HG1 1 1 17 6946 1 1 24 THR HG21 H -5.691 -0.150 5.359 1.00 . A A . 24 THR HG21 1 1 17 6947 1 1 24 THR HG22 H -7.093 -0.260 4.288 1.00 . A A . 24 THR HG22 1 1 17 6948 1 1 24 THR HG23 H -5.462 -0.413 3.614 1.00 . A A . 24 THR HG23 1 1 17 6949 1 1 24 THR N N -4.712 3.640 4.090 1.00 . A A . 24 THR N 1 1 17 6950 1 1 24 THR O O -3.913 2.208 1.930 1.00 . A A . 24 THR O 1 1 17 6951 1 1 24 THR OG1 O -6.844 2.208 5.155 1.00 . A A . 24 THR OG1 1 1 17 6952 1 1 25 CYS C C -2.688 -1.067 1.736 1.00 . A A . 25 CYS C 1 1 17 6953 1 1 25 CYS CA C -2.010 0.218 2.236 1.00 . A A . 25 CYS CA 1 1 17 6954 1 1 25 CYS CB C -0.533 0.146 2.665 1.00 . A A . 25 CYS CB 1 1 17 6955 1 1 25 CYS H H -2.792 0.360 4.220 1.00 . A A . 25 CYS H 1 1 17 6956 1 1 25 CYS HA H -1.988 0.909 1.395 1.00 . A A . 25 CYS HA 1 1 17 6957 1 1 25 CYS HB3 H -0.394 0.640 3.625 1.00 . A A . 25 CYS HB3 1 1 17 6958 1 1 25 CYS N N -2.838 0.782 3.295 1.00 . A A . 25 CYS N 1 1 17 6959 1 1 25 CYS O O -2.661 -2.118 2.369 1.00 . A A . 25 CYS O 1 1 17 6960 1 1 25 CYS SG S 0.279 -1.447 2.740 1.00 . A A . 25 CYS SG 1 1 17 6961 1 1 26 TYR C C -3.062 -2.780 -0.885 1.00 . A A . 26 TYR C 1 1 17 6962 1 1 26 TYR CA C -4.094 -2.000 -0.084 1.00 . A A . 26 TYR CA 1 1 17 6963 1 1 26 TYR CB C -5.075 -1.369 -1.080 1.00 . A A . 26 TYR CB 1 1 17 6964 1 1 26 TYR CD1 C -6.419 0.434 0.102 1.00 . A A . 26 TYR CD1 1 1 17 6965 1 1 26 TYR CD2 C -7.539 -1.615 -0.590 1.00 . A A . 26 TYR CD2 1 1 17 6966 1 1 26 TYR CE1 C -7.644 0.932 0.579 1.00 . A A . 26 TYR CE1 1 1 17 6967 1 1 26 TYR CE2 C -8.767 -1.094 -0.153 1.00 . A A . 26 TYR CE2 1 1 17 6968 1 1 26 TYR CG C -6.367 -0.843 -0.488 1.00 . A A . 26 TYR CG 1 1 17 6969 1 1 26 TYR CZ C -8.815 0.168 0.461 1.00 . A A . 26 TYR CZ 1 1 17 6970 1 1 26 TYR H H -3.330 -0.045 0.131 1.00 . A A . 26 TYR H 1 1 17 6971 1 1 26 TYR HA H -4.622 -2.653 0.613 1.00 . A A . 26 TYR HA 1 1 17 6972 1 1 26 TYR HB3 H -5.352 -2.122 -1.815 1.00 . A A . 26 TYR HB3 1 1 17 6973 1 1 26 TYR HD1 H -5.524 1.031 0.189 1.00 . A A . 26 TYR HD1 1 1 17 6974 1 1 26 TYR HD2 H -7.503 -2.610 -1.012 1.00 . A A . 26 TYR HD2 1 1 17 6975 1 1 26 TYR HE1 H -7.678 1.894 1.060 1.00 . A A . 26 TYR HE1 1 1 17 6976 1 1 26 TYR HE2 H -9.667 -1.688 -0.226 1.00 . A A . 26 TYR HE2 1 1 17 6977 1 1 26 TYR HH H -9.928 1.485 1.383 1.00 . A A . 26 TYR HH 1 1 17 6978 1 1 26 TYR N N -3.404 -0.930 0.620 1.00 . A A . 26 TYR N 1 1 17 6979 1 1 26 TYR O O -2.277 -2.141 -1.588 1.00 . A A . 26 TYR O 1 1 17 6980 1 1 26 TYR OH O -10.008 0.663 0.895 1.00 . A A . 26 TYR OH 1 1 17 6981 1 1 27 CYS C C -3.082 -5.849 -2.595 1.00 . A A . 27 CYS C 1 1 17 6982 1 1 27 CYS CA C -2.248 -4.979 -1.670 1.00 . A A . 27 CYS CA 1 1 17 6983 1 1 27 CYS CB C -1.260 -5.812 -0.840 1.00 . A A . 27 CYS CB 1 1 17 6984 1 1 27 CYS H H -3.773 -4.596 -0.272 1.00 . A A . 27 CYS H 1 1 17 6985 1 1 27 CYS HA H -1.695 -4.335 -2.325 1.00 . A A . 27 CYS HA 1 1 17 6986 1 1 27 CYS HB3 H -0.495 -6.191 -1.513 1.00 . A A . 27 CYS HB3 1 1 17 6987 1 1 27 CYS N N -3.092 -4.122 -0.842 1.00 . A A . 27 CYS N 1 1 17 6988 1 1 27 CYS O O -4.213 -6.191 -2.259 1.00 . A A . 27 CYS O 1 1 17 6989 1 1 27 CYS SG S -0.397 -4.898 0.453 1.00 . A A . 27 CYS SG 1 1 17 6990 1 1 28 LYS C C -3.559 -8.348 -4.333 1.00 . A A . 28 LYS C 1 1 17 6991 1 1 28 LYS CA C -3.307 -6.909 -4.784 1.00 . A A . 28 LYS CA 1 1 17 6992 1 1 28 LYS CB C -2.590 -6.872 -6.140 1.00 . A A . 28 LYS CB 1 1 17 6993 1 1 28 LYS CD C -1.866 -5.346 -8.052 1.00 . A A . 28 LYS CD 1 1 17 6994 1 1 28 LYS CE C -3.050 -5.321 -9.030 1.00 . A A . 28 LYS CE 1 1 17 6995 1 1 28 LYS CG C -2.304 -5.431 -6.583 1.00 . A A . 28 LYS CG 1 1 17 6996 1 1 28 LYS H H -1.582 -5.926 -3.992 1.00 . A A . 28 LYS H 1 1 17 6997 1 1 28 LYS HA H -4.276 -6.419 -4.904 1.00 . A A . 28 LYS HA 1 1 17 6998 1 1 28 LYS HB3 H -3.232 -7.363 -6.872 1.00 . A A . 28 LYS HB3 1 1 17 6999 1 1 28 LYS HD3 H -1.234 -6.209 -8.276 1.00 . A A . 28 LYS HD3 1 1 17 7000 1 1 28 LYS HE3 H -3.736 -6.139 -8.805 1.00 . A A . 28 LYS HE3 1 1 17 7001 1 1 28 LYS HG3 H -1.492 -5.044 -5.972 1.00 . A A . 28 LYS HG3 1 1 17 7002 1 1 28 LYS HZ1 H -4.563 -4.043 -9.625 1.00 . A A . 28 LYS HZ1 1 1 17 7003 1 1 28 LYS HZ2 H -4.153 -3.846 -8.058 1.00 . A A . 28 LYS HZ2 1 1 17 7004 1 1 28 LYS HZ3 H -3.175 -3.262 -9.212 1.00 . A A . 28 LYS HZ3 1 1 17 7005 1 1 28 LYS N N -2.541 -6.186 -3.774 1.00 . A A . 28 LYS N 1 1 17 7006 1 1 28 LYS NZ N -3.781 -4.036 -8.989 1.00 . A A . 28 LYS NZ 1 1 17 7007 1 1 28 LYS O O -4.628 -8.907 -4.568 1.00 . A A . 28 LYS O 1 1 17 7008 1 1 29 THR C C -1.511 -10.288 -2.072 1.00 . A A . 29 THR C 1 1 17 7009 1 1 29 THR CA C -2.625 -10.280 -3.114 1.00 . A A . 29 THR CA 1 1 17 7010 1 1 29 THR CB C -2.415 -11.365 -4.185 1.00 . A A . 29 THR CB 1 1 17 7011 1 1 29 THR CG2 C -2.697 -12.761 -3.623 1.00 . A A . 29 THR CG2 1 1 17 7012 1 1 29 THR H H -1.706 -8.465 -3.489 1.00 . A A . 29 THR H 1 1 17 7013 1 1 29 THR HA H -3.595 -10.410 -2.632 1.00 . A A . 29 THR HA 1 1 17 7014 1 1 29 THR HB H -1.384 -11.328 -4.543 1.00 . A A . 29 THR HB 1 1 17 7015 1 1 29 THR HG1 H -4.005 -10.594 -5.025 1.00 . A A . 29 THR HG1 1 1 17 7016 1 1 29 THR HG21 H -2.563 -13.500 -4.414 1.00 . A A . 29 THR HG21 1 1 17 7017 1 1 29 THR HG22 H -2.012 -12.992 -2.808 1.00 . A A . 29 THR HG22 1 1 17 7018 1 1 29 THR HG23 H -3.724 -12.817 -3.260 1.00 . A A . 29 THR HG23 1 1 17 7019 1 1 29 THR N N -2.560 -8.959 -3.698 1.00 . A A . 29 THR N 1 1 17 7020 1 1 29 THR O O -0.431 -9.760 -2.329 1.00 . A A . 29 THR O 1 1 17 7021 1 1 29 THR OG1 O -3.271 -11.163 -5.292 1.00 . A A . 29 THR OG1 1 1 17 7022 1 1 30 THR C C 0.491 -11.326 -0.061 1.00 . A A . 30 THR C 1 1 17 7023 1 1 30 THR CA C -0.921 -10.830 0.273 1.00 . A A . 30 THR CA 1 1 17 7024 1 1 30 THR CB C -1.593 -11.691 1.353 1.00 . A A . 30 THR CB 1 1 17 7025 1 1 30 THR CG2 C -1.140 -11.289 2.757 1.00 . A A . 30 THR CG2 1 1 17 7026 1 1 30 THR H H -2.743 -11.122 -0.705 1.00 . A A . 30 THR H 1 1 17 7027 1 1 30 THR HA H -0.854 -9.801 0.630 1.00 . A A . 30 THR HA 1 1 17 7028 1 1 30 THR HB H -1.351 -12.744 1.189 1.00 . A A . 30 THR HB 1 1 17 7029 1 1 30 THR HG1 H -3.423 -12.038 1.950 1.00 . A A . 30 THR HG1 1 1 17 7030 1 1 30 THR HG21 H -1.423 -10.255 2.959 1.00 . A A . 30 THR HG21 1 1 17 7031 1 1 30 THR HG22 H -1.609 -11.935 3.499 1.00 . A A . 30 THR HG22 1 1 17 7032 1 1 30 THR HG23 H -0.057 -11.385 2.841 1.00 . A A . 30 THR HG23 1 1 17 7033 1 1 30 THR N N -1.795 -10.827 -0.890 1.00 . A A . 30 THR N 1 1 17 7034 1 1 30 THR O O 1.480 -10.742 0.370 1.00 . A A . 30 THR O 1 1 17 7035 1 1 30 THR OG1 O -2.999 -11.542 1.244 1.00 . A A . 30 THR OG1 1 1 17 7036 1 1 31 NH2 HN1 H -0.237 -12.870 -1.169 1.00 . A A . 31 NH2 HN1 1 1 17 7037 1 1 31 NH2 HN2 H 1.511 -12.761 -1.060 1.00 . A A . 31 NH2 HN2 1 1 17 7038 1 1 31 NH2 N N 0.594 -12.417 -0.822 1.00 . A A . 31 NH2 N 1 1 18 7039 1 1 1 PCA C C 0.144 8.009 8.149 1.00 . A A . 1 PCA C 1 1 18 7040 1 1 1 PCA CA C 1.166 8.720 7.263 1.00 . A A . 1 PCA CA 1 1 18 7041 1 1 1 PCA CB C 2.596 8.347 7.675 1.00 . A A . 1 PCA CB 1 1 18 7042 1 1 1 PCA CD C 2.001 10.581 8.336 1.00 . A A . 1 PCA CD 1 1 18 7043 1 1 1 PCA CG C 2.939 9.440 8.690 1.00 . A A . 1 PCA CG 1 1 18 7044 1 1 1 PCA HA H 0.998 8.480 6.213 1.00 . A A . 1 PCA HA 1 1 18 7045 1 1 1 PCA HB2 H 3.258 8.449 6.816 1.00 . A A . 1 PCA HB2 1 1 18 7046 1 1 1 PCA HB3 H 2.674 7.344 8.094 1.00 . A A . 1 PCA HB3 1 1 18 7047 1 1 1 PCA HG2 H 2.726 9.099 9.704 1.00 . A A . 1 PCA HG2 1 1 18 7048 1 1 1 PCA HG3 H 3.984 9.740 8.606 1.00 . A A . 1 PCA HG3 1 1 18 7049 1 1 1 PCA N N 1.070 10.151 7.483 1.00 . A A . 1 PCA N 1 1 18 7050 1 1 1 PCA O O 0.178 8.175 9.367 1.00 . A A . 1 PCA O 1 1 18 7051 1 1 1 PCA OE O 2.178 11.722 8.732 1.00 . A A . 1 PCA OE 1 1 18 7052 1 1 2 THR C C -1.063 4.994 8.384 1.00 . A A . 2 THR C 1 1 18 7053 1 1 2 THR CA C -1.697 6.380 8.259 1.00 . A A . 2 THR CA 1 1 18 7054 1 1 2 THR CB C -3.062 6.468 7.559 1.00 . A A . 2 THR CB 1 1 18 7055 1 1 2 THR CG2 C -4.184 5.835 8.394 1.00 . A A . 2 THR CG2 1 1 18 7056 1 1 2 THR H H -0.704 7.129 6.534 1.00 . A A . 2 THR H 1 1 18 7057 1 1 2 THR HA H -1.853 6.715 9.274 1.00 . A A . 2 THR HA 1 1 18 7058 1 1 2 THR HB H -2.983 6.011 6.576 1.00 . A A . 2 THR HB 1 1 18 7059 1 1 2 THR HG1 H -4.250 7.888 6.933 1.00 . A A . 2 THR HG1 1 1 18 7060 1 1 2 THR HG21 H -5.133 5.917 7.866 1.00 . A A . 2 THR HG21 1 1 18 7061 1 1 2 THR HG22 H -3.991 4.781 8.590 1.00 . A A . 2 THR HG22 1 1 18 7062 1 1 2 THR HG23 H -4.269 6.358 9.349 1.00 . A A . 2 THR HG23 1 1 18 7063 1 1 2 THR N N -0.744 7.220 7.544 1.00 . A A . 2 THR N 1 1 18 7064 1 1 2 THR O O -0.016 4.857 9.009 1.00 . A A . 2 THR O 1 1 18 7065 1 1 2 THR OG1 O -3.392 7.827 7.359 1.00 . A A . 2 THR OG1 1 1 18 7066 1 1 3 GLN C C 0.388 3.129 6.645 1.00 . A A . 3 GLN C 1 1 18 7067 1 1 3 GLN CA C -0.844 2.759 7.473 1.00 . A A . 3 GLN CA 1 1 18 7068 1 1 3 GLN CB C -1.657 1.739 6.672 1.00 . A A . 3 GLN CB 1 1 18 7069 1 1 3 GLN CD C -3.483 0.025 6.761 1.00 . A A . 3 GLN CD 1 1 18 7070 1 1 3 GLN CG C -2.809 1.133 7.471 1.00 . A A . 3 GLN CG 1 1 18 7071 1 1 3 GLN H H -2.506 4.121 7.268 1.00 . A A . 3 GLN H 1 1 18 7072 1 1 3 GLN HA H -0.521 2.307 8.413 1.00 . A A . 3 GLN HA 1 1 18 7073 1 1 3 GLN HB3 H -0.984 0.930 6.382 1.00 . A A . 3 GLN HB3 1 1 18 7074 1 1 3 GLN HE21 H -4.696 -0.085 8.395 1.00 . A A . 3 GLN HE21 1 1 18 7075 1 1 3 GLN HE22 H -4.778 -1.337 7.208 1.00 . A A . 3 GLN HE22 1 1 18 7076 1 1 3 GLN HG3 H -3.633 1.804 7.674 1.00 . A A . 3 GLN HG3 1 1 18 7077 1 1 3 GLN N N -1.623 3.969 7.736 1.00 . A A . 3 GLN N 1 1 18 7078 1 1 3 GLN NE2 N -4.446 -0.474 7.498 1.00 . A A . 3 GLN NE2 1 1 18 7079 1 1 3 GLN O O 1.480 2.595 6.847 1.00 . A A . 3 GLN O 1 1 18 7080 1 1 3 GLN OE1 O -3.146 -0.387 5.653 1.00 . A A . 3 GLN OE1 1 1 18 7081 1 1 4 CYS C C 0.832 5.957 4.415 1.00 . A A . 4 CYS C 1 1 18 7082 1 1 4 CYS CA C 1.084 4.482 4.672 1.00 . A A . 4 CYS CA 1 1 18 7083 1 1 4 CYS CB C 0.843 3.721 3.367 1.00 . A A . 4 CYS CB 1 1 18 7084 1 1 4 CYS H H -0.768 4.427 5.618 1.00 . A A . 4 CYS H 1 1 18 7085 1 1 4 CYS HA H 2.113 4.338 5.008 1.00 . A A . 4 CYS HA 1 1 18 7086 1 1 4 CYS HB3 H 1.149 2.693 3.498 1.00 . A A . 4 CYS HB3 1 1 18 7087 1 1 4 CYS N N 0.155 4.020 5.679 1.00 . A A . 4 CYS N 1 1 18 7088 1 1 4 CYS O O -0.181 6.515 4.844 1.00 . A A . 4 CYS O 1 1 18 7089 1 1 4 CYS SG S -0.860 3.768 2.742 1.00 . A A . 4 CYS SG 1 1 18 7090 1 1 5 GLN C C 1.649 7.846 1.608 1.00 . A A . 5 GLN C 1 1 18 7091 1 1 5 GLN CA C 1.727 7.897 3.139 1.00 . A A . 5 GLN CA 1 1 18 7092 1 1 5 GLN CB C 2.985 8.646 3.597 1.00 . A A . 5 GLN CB 1 1 18 7093 1 1 5 GLN CD C 3.869 10.871 4.371 1.00 . A A . 5 GLN CD 1 1 18 7094 1 1 5 GLN CG C 2.638 10.103 3.909 1.00 . A A . 5 GLN CG 1 1 18 7095 1 1 5 GLN H H 2.596 6.008 3.450 1.00 . A A . 5 GLN H 1 1 18 7096 1 1 5 GLN HA H 0.853 8.436 3.507 1.00 . A A . 5 GLN HA 1 1 18 7097 1 1 5 GLN HB3 H 3.756 8.594 2.826 1.00 . A A . 5 GLN HB3 1 1 18 7098 1 1 5 GLN HE21 H 4.579 11.027 2.469 1.00 . A A . 5 GLN HE21 1 1 18 7099 1 1 5 GLN HE22 H 5.561 11.753 3.731 1.00 . A A . 5 GLN HE22 1 1 18 7100 1 1 5 GLN HG3 H 1.901 10.136 4.711 1.00 . A A . 5 GLN HG3 1 1 18 7101 1 1 5 GLN N N 1.769 6.558 3.689 1.00 . A A . 5 GLN N 1 1 18 7102 1 1 5 GLN NE2 N 4.738 11.251 3.438 1.00 . A A . 5 GLN NE2 1 1 18 7103 1 1 5 GLN O O 1.103 8.760 0.993 1.00 . A A . 5 GLN O 1 1 18 7104 1 1 5 GLN OE1 O 4.044 11.113 5.559 1.00 . A A . 5 GLN OE1 1 1 18 7105 1 1 6 SER C C 2.578 5.241 -0.833 1.00 . A A . 6 SER C 1 1 18 7106 1 1 6 SER CA C 2.307 6.704 -0.484 1.00 . A A . 6 SER CA 1 1 18 7107 1 1 6 SER CB C 3.444 7.595 -1.003 1.00 . A A . 6 SER CB 1 1 18 7108 1 1 6 SER H H 2.693 6.082 1.508 1.00 . A A . 6 SER H 1 1 18 7109 1 1 6 SER HA H 1.363 7.004 -0.942 1.00 . A A . 6 SER HA 1 1 18 7110 1 1 6 SER HB3 H 3.661 7.353 -2.043 1.00 . A A . 6 SER HB3 1 1 18 7111 1 1 6 SER HG H 2.379 9.074 -0.289 1.00 . A A . 6 SER HG 1 1 18 7112 1 1 6 SER N N 2.223 6.822 0.966 1.00 . A A . 6 SER N 1 1 18 7113 1 1 6 SER O O 3.031 4.489 0.017 1.00 . A A . 6 SER O 1 1 18 7114 1 1 6 SER OG O 3.088 8.961 -0.938 1.00 . A A . 6 SER OG 1 1 18 7115 1 1 7 VAL C C 3.781 2.793 -2.060 1.00 . A A . 7 VAL C 1 1 18 7116 1 1 7 VAL CA C 2.440 3.422 -2.478 1.00 . A A . 7 VAL CA 1 1 18 7117 1 1 7 VAL CB C 2.158 3.347 -3.985 1.00 . A A . 7 VAL CB 1 1 18 7118 1 1 7 VAL CG1 C 3.276 3.952 -4.847 1.00 . A A . 7 VAL CG1 1 1 18 7119 1 1 7 VAL CG2 C 1.886 1.906 -4.392 1.00 . A A . 7 VAL CG2 1 1 18 7120 1 1 7 VAL H H 1.902 5.422 -2.758 1.00 . A A . 7 VAL H 1 1 18 7121 1 1 7 VAL HA H 1.651 2.873 -1.956 1.00 . A A . 7 VAL HA 1 1 18 7122 1 1 7 VAL HB H 1.243 3.907 -4.188 1.00 . A A . 7 VAL HB 1 1 18 7123 1 1 7 VAL HG11 H 3.475 4.979 -4.544 1.00 . A A . 7 VAL HG11 1 1 18 7124 1 1 7 VAL HG12 H 4.190 3.364 -4.758 1.00 . A A . 7 VAL HG12 1 1 18 7125 1 1 7 VAL HG13 H 2.965 3.951 -5.892 1.00 . A A . 7 VAL HG13 1 1 18 7126 1 1 7 VAL HG21 H 1.069 1.528 -3.780 1.00 . A A . 7 VAL HG21 1 1 18 7127 1 1 7 VAL HG22 H 1.599 1.876 -5.441 1.00 . A A . 7 VAL HG22 1 1 18 7128 1 1 7 VAL HG23 H 2.776 1.300 -4.233 1.00 . A A . 7 VAL HG23 1 1 18 7129 1 1 7 VAL N N 2.312 4.812 -2.070 1.00 . A A . 7 VAL N 1 1 18 7130 1 1 7 VAL O O 3.823 1.622 -1.688 1.00 . A A . 7 VAL O 1 1 18 7131 1 1 8 ARG C C 6.122 2.498 -0.228 1.00 . A A . 8 ARG C 1 1 18 7132 1 1 8 ARG CA C 6.181 3.243 -1.566 1.00 . A A . 8 ARG CA 1 1 18 7133 1 1 8 ARG CB C 7.018 4.521 -1.414 1.00 . A A . 8 ARG CB 1 1 18 7134 1 1 8 ARG CD C 8.056 6.506 -2.546 1.00 . A A . 8 ARG CD 1 1 18 7135 1 1 8 ARG CG C 7.286 5.200 -2.764 1.00 . A A . 8 ARG CG 1 1 18 7136 1 1 8 ARG CZ C 8.818 8.429 -3.943 1.00 . A A . 8 ARG CZ 1 1 18 7137 1 1 8 ARG H H 4.708 4.531 -2.396 1.00 . A A . 8 ARG H 1 1 18 7138 1 1 8 ARG HA H 6.671 2.593 -2.291 1.00 . A A . 8 ARG HA 1 1 18 7139 1 1 8 ARG HB3 H 7.974 4.255 -0.961 1.00 . A A . 8 ARG HB3 1 1 18 7140 1 1 8 ARG HD3 H 9.008 6.277 -2.061 1.00 . A A . 8 ARG HD3 1 1 18 7141 1 1 8 ARG HE H 8.066 6.677 -4.659 1.00 . A A . 8 ARG HE 1 1 18 7142 1 1 8 ARG HG3 H 6.346 5.424 -3.268 1.00 . A A . 8 ARG HG3 1 1 18 7143 1 1 8 ARG HH11 H 9.054 8.685 -1.941 1.00 . A A . 8 ARG HH11 1 1 18 7144 1 1 8 ARG HH12 H 9.544 10.049 -2.898 1.00 . A A . 8 ARG HH12 1 1 18 7145 1 1 8 ARG HH21 H 8.718 8.463 -5.986 1.00 . A A . 8 ARG HH21 1 1 18 7146 1 1 8 ARG HH22 H 9.358 9.902 -5.266 1.00 . A A . 8 ARG HH22 1 1 18 7147 1 1 8 ARG N N 4.855 3.590 -2.073 1.00 . A A . 8 ARG N 1 1 18 7148 1 1 8 ARG NE N 8.306 7.193 -3.824 1.00 . A A . 8 ARG NE 1 1 18 7149 1 1 8 ARG NH1 N 9.165 9.115 -2.848 1.00 . A A . 8 ARG NH1 1 1 18 7150 1 1 8 ARG NH2 N 8.978 8.974 -5.155 1.00 . A A . 8 ARG NH2 1 1 18 7151 1 1 8 ARG O O 6.790 1.481 -0.059 1.00 . A A . 8 ARG O 1 1 18 7152 1 1 9 ASP C C 4.619 0.925 1.764 1.00 . A A . 9 ASP C 1 1 18 7153 1 1 9 ASP CA C 5.093 2.355 2.000 1.00 . A A . 9 ASP CA 1 1 18 7154 1 1 9 ASP CB C 4.004 3.165 2.698 1.00 . A A . 9 ASP CB 1 1 18 7155 1 1 9 ASP CG C 4.472 4.535 3.149 1.00 . A A . 9 ASP CG 1 1 18 7156 1 1 9 ASP H H 4.711 3.781 0.532 1.00 . A A . 9 ASP H 1 1 18 7157 1 1 9 ASP HA H 6.007 2.353 2.598 1.00 . A A . 9 ASP HA 1 1 18 7158 1 1 9 ASP HB3 H 3.577 2.651 3.543 1.00 . A A . 9 ASP HB3 1 1 18 7159 1 1 9 ASP N N 5.320 2.990 0.718 1.00 . A A . 9 ASP N 1 1 18 7160 1 1 9 ASP O O 5.228 -0.040 2.232 1.00 . A A . 9 ASP O 1 1 18 7161 1 1 9 ASP OD1 O 5.290 4.591 4.085 1.00 . A A . 9 ASP OD1 1 1 18 7162 1 1 9 ASP OD2 O 3.946 5.512 2.573 1.00 . A A . 9 ASP OD2 1 1 18 7163 1 1 10 CYS C C 4.121 -1.389 -0.020 1.00 . A A . 10 CYS C 1 1 18 7164 1 1 10 CYS CA C 3.058 -0.556 0.672 1.00 . A A . 10 CYS CA 1 1 18 7165 1 1 10 CYS CB C 1.733 -0.632 -0.091 1.00 . A A . 10 CYS CB 1 1 18 7166 1 1 10 CYS H H 3.150 1.584 0.525 1.00 . A A . 10 CYS H 1 1 18 7167 1 1 10 CYS HA H 2.897 -1.072 1.605 1.00 . A A . 10 CYS HA 1 1 18 7168 1 1 10 CYS HB3 H 2.034 -0.918 -1.054 1.00 . A A . 10 CYS HB3 1 1 18 7169 1 1 10 CYS N N 3.538 0.775 0.991 1.00 . A A . 10 CYS N 1 1 18 7170 1 1 10 CYS O O 4.162 -2.585 0.211 1.00 . A A . 10 CYS O 1 1 18 7171 1 1 10 CYS SG S 0.586 -1.890 0.547 1.00 . A A . 10 CYS SG 1 1 18 7172 1 1 11 GLN C C 6.947 -2.257 -0.524 1.00 . A A . 11 GLN C 1 1 18 7173 1 1 11 GLN CA C 6.011 -1.582 -1.542 1.00 . A A . 11 GLN CA 1 1 18 7174 1 1 11 GLN CB C 6.790 -0.733 -2.554 1.00 . A A . 11 GLN CB 1 1 18 7175 1 1 11 GLN CD C 6.657 0.612 -4.692 1.00 . A A . 11 GLN CD 1 1 18 7176 1 1 11 GLN CG C 5.904 -0.294 -3.727 1.00 . A A . 11 GLN CG 1 1 18 7177 1 1 11 GLN H H 4.870 0.187 -1.063 1.00 . A A . 11 GLN H 1 1 18 7178 1 1 11 GLN HA H 5.520 -2.374 -2.112 1.00 . A A . 11 GLN HA 1 1 18 7179 1 1 11 GLN HB3 H 7.609 -1.337 -2.951 1.00 . A A . 11 GLN HB3 1 1 18 7180 1 1 11 GLN HE21 H 7.821 -0.927 -5.336 1.00 . A A . 11 GLN HE21 1 1 18 7181 1 1 11 GLN HE22 H 8.125 0.635 -6.076 1.00 . A A . 11 GLN HE22 1 1 18 7182 1 1 11 GLN HG3 H 5.036 0.246 -3.356 1.00 . A A . 11 GLN HG3 1 1 18 7183 1 1 11 GLN N N 4.970 -0.806 -0.872 1.00 . A A . 11 GLN N 1 1 18 7184 1 1 11 GLN NE2 N 7.613 0.056 -5.428 1.00 . A A . 11 GLN NE2 1 1 18 7185 1 1 11 GLN O O 7.581 -3.256 -0.852 1.00 . A A . 11 GLN O 1 1 18 7186 1 1 11 GLN OE1 O 6.387 1.806 -4.778 1.00 . A A . 11 GLN OE1 1 1 18 7187 1 1 12 GLN C C 6.833 -3.493 2.407 1.00 . A A . 12 GLN C 1 1 18 7188 1 1 12 GLN CA C 7.727 -2.410 1.793 1.00 . A A . 12 GLN CA 1 1 18 7189 1 1 12 GLN CB C 8.186 -1.393 2.848 1.00 . A A . 12 GLN CB 1 1 18 7190 1 1 12 GLN CD C 9.574 0.703 3.250 1.00 . A A . 12 GLN CD 1 1 18 7191 1 1 12 GLN CG C 9.123 -0.342 2.234 1.00 . A A . 12 GLN CG 1 1 18 7192 1 1 12 GLN H H 6.502 -0.897 0.933 1.00 . A A . 12 GLN H 1 1 18 7193 1 1 12 GLN HA H 8.623 -2.897 1.403 1.00 . A A . 12 GLN HA 1 1 18 7194 1 1 12 GLN HB3 H 8.713 -1.936 3.634 1.00 . A A . 12 GLN HB3 1 1 18 7195 1 1 12 GLN HE21 H 10.240 -0.720 4.548 1.00 . A A . 12 GLN HE21 1 1 18 7196 1 1 12 GLN HE22 H 10.427 0.950 5.056 1.00 . A A . 12 GLN HE22 1 1 18 7197 1 1 12 GLN HG3 H 8.611 0.184 1.427 1.00 . A A . 12 GLN HG3 1 1 18 7198 1 1 12 GLN N N 7.031 -1.735 0.706 1.00 . A A . 12 GLN N 1 1 18 7199 1 1 12 GLN NE2 N 10.132 0.267 4.375 1.00 . A A . 12 GLN NE2 1 1 18 7200 1 1 12 GLN O O 7.286 -4.613 2.634 1.00 . A A . 12 GLN O 1 1 18 7201 1 1 12 GLN OE1 O 9.440 1.900 3.024 1.00 . A A . 12 GLN OE1 1 1 18 7202 1 1 13 TYR C C 4.228 -5.284 2.477 1.00 . A A . 13 TYR C 1 1 18 7203 1 1 13 TYR CA C 4.647 -4.089 3.363 1.00 . A A . 13 TYR CA 1 1 18 7204 1 1 13 TYR CB C 3.399 -3.333 3.846 1.00 . A A . 13 TYR CB 1 1 18 7205 1 1 13 TYR CD1 C 3.904 -2.569 6.218 1.00 . A A . 13 TYR CD1 1 1 18 7206 1 1 13 TYR CD2 C 3.253 -0.902 4.582 1.00 . A A . 13 TYR CD2 1 1 18 7207 1 1 13 TYR CE1 C 3.793 -1.599 7.236 1.00 . A A . 13 TYR CE1 1 1 18 7208 1 1 13 TYR CE2 C 3.146 0.064 5.591 1.00 . A A . 13 TYR CE2 1 1 18 7209 1 1 13 TYR CG C 3.605 -2.232 4.883 1.00 . A A . 13 TYR CG 1 1 18 7210 1 1 13 TYR CZ C 3.379 -0.291 6.926 1.00 . A A . 13 TYR CZ 1 1 18 7211 1 1 13 TYR H H 5.247 -2.235 2.462 1.00 . A A . 13 TYR H 1 1 18 7212 1 1 13 TYR HA H 5.147 -4.499 4.241 1.00 . A A . 13 TYR HA 1 1 18 7213 1 1 13 TYR HB3 H 2.718 -4.062 4.287 1.00 . A A . 13 TYR HB3 1 1 18 7214 1 1 13 TYR HD1 H 4.143 -3.589 6.478 1.00 . A A . 13 TYR HD1 1 1 18 7215 1 1 13 TYR HD2 H 2.969 -0.609 3.594 1.00 . A A . 13 TYR HD2 1 1 18 7216 1 1 13 TYR HE1 H 3.967 -1.874 8.265 1.00 . A A . 13 TYR HE1 1 1 18 7217 1 1 13 TYR HE2 H 2.843 1.067 5.335 1.00 . A A . 13 TYR HE2 1 1 18 7218 1 1 13 TYR HH H 2.673 1.402 7.584 1.00 . A A . 13 TYR HH 1 1 18 7219 1 1 13 TYR N N 5.568 -3.167 2.696 1.00 . A A . 13 TYR N 1 1 18 7220 1 1 13 TYR O O 3.818 -6.319 3.003 1.00 . A A . 13 TYR O 1 1 18 7221 1 1 13 TYR OH O 3.117 0.609 7.917 1.00 . A A . 13 TYR OH 1 1 18 7222 1 1 14 CYS C C 4.541 -6.011 -1.097 1.00 . A A . 14 CYS C 1 1 18 7223 1 1 14 CYS CA C 3.681 -6.041 0.158 1.00 . A A . 14 CYS CA 1 1 18 7224 1 1 14 CYS CB C 2.260 -5.578 -0.208 1.00 . A A . 14 CYS CB 1 1 18 7225 1 1 14 CYS H H 4.684 -4.295 0.783 1.00 . A A . 14 CYS H 1 1 18 7226 1 1 14 CYS HA H 3.644 -7.059 0.546 1.00 . A A . 14 CYS HA 1 1 18 7227 1 1 14 CYS HB3 H 1.942 -5.972 -1.178 1.00 . A A . 14 CYS HB3 1 1 18 7228 1 1 14 CYS N N 4.275 -5.142 1.148 1.00 . A A . 14 CYS N 1 1 18 7229 1 1 14 CYS O O 4.972 -4.946 -1.526 1.00 . A A . 14 CYS O 1 1 18 7230 1 1 14 CYS SG S 1.010 -6.086 1.003 1.00 . A A . 14 CYS SG 1 1 18 7231 1 1 15 LEU C C 4.794 -6.571 -4.097 1.00 . A A . 15 LEU C 1 1 18 7232 1 1 15 LEU CA C 5.529 -7.265 -2.948 1.00 . A A . 15 LEU CA 1 1 18 7233 1 1 15 LEU CB C 5.824 -8.733 -3.295 1.00 . A A . 15 LEU CB 1 1 18 7234 1 1 15 LEU CD1 C 8.328 -8.777 -2.801 1.00 . A A . 15 LEU CD1 1 1 18 7235 1 1 15 LEU CD2 C 6.718 -9.381 -0.972 1.00 . A A . 15 LEU CD2 1 1 18 7236 1 1 15 LEU CG C 6.959 -9.393 -2.485 1.00 . A A . 15 LEU CG 1 1 18 7237 1 1 15 LEU H H 4.390 -8.022 -1.316 1.00 . A A . 15 LEU H 1 1 18 7238 1 1 15 LEU HA H 6.471 -6.733 -2.811 1.00 . A A . 15 LEU HA 1 1 18 7239 1 1 15 LEU HB3 H 6.112 -8.784 -4.347 1.00 . A A . 15 LEU HB3 1 1 18 7240 1 1 15 LEU HD11 H 8.492 -8.762 -3.879 1.00 . A A . 15 LEU HD11 1 1 18 7241 1 1 15 LEU HD12 H 8.402 -7.762 -2.413 1.00 . A A . 15 LEU HD12 1 1 18 7242 1 1 15 LEU HD13 H 9.111 -9.381 -2.338 1.00 . A A . 15 LEU HD13 1 1 18 7243 1 1 15 LEU HD21 H 7.472 -9.998 -0.482 1.00 . A A . 15 LEU HD21 1 1 18 7244 1 1 15 LEU HD22 H 6.795 -8.368 -0.578 1.00 . A A . 15 LEU HD22 1 1 18 7245 1 1 15 LEU HD23 H 5.732 -9.789 -0.748 1.00 . A A . 15 LEU HD23 1 1 18 7246 1 1 15 LEU HG H 6.997 -10.436 -2.800 1.00 . A A . 15 LEU HG 1 1 18 7247 1 1 15 LEU N N 4.753 -7.174 -1.720 1.00 . A A . 15 LEU N 1 1 18 7248 1 1 15 LEU O O 5.424 -5.884 -4.896 1.00 . A A . 15 LEU O 1 1 18 7249 1 1 16 THR C C 1.458 -5.396 -4.677 1.00 . A A . 16 THR C 1 1 18 7250 1 1 16 THR CA C 2.654 -6.162 -5.251 1.00 . A A . 16 THR CA 1 1 18 7251 1 1 16 THR CB C 2.197 -7.257 -6.229 1.00 . A A . 16 THR CB 1 1 18 7252 1 1 16 THR CG2 C 1.604 -6.629 -7.495 1.00 . A A . 16 THR CG2 1 1 18 7253 1 1 16 THR H H 3.005 -7.319 -3.493 1.00 . A A . 16 THR H 1 1 18 7254 1 1 16 THR HA H 3.244 -5.447 -5.826 1.00 . A A . 16 THR HA 1 1 18 7255 1 1 16 THR HB H 1.446 -7.890 -5.753 1.00 . A A . 16 THR HB 1 1 18 7256 1 1 16 THR HG1 H 3.730 -8.389 -5.828 1.00 . A A . 16 THR HG1 1 1 18 7257 1 1 16 THR HG21 H 0.752 -5.999 -7.244 1.00 . A A . 16 THR HG21 1 1 18 7258 1 1 16 THR HG22 H 2.360 -6.023 -7.992 1.00 . A A . 16 THR HG22 1 1 18 7259 1 1 16 THR HG23 H 1.278 -7.419 -8.171 1.00 . A A . 16 THR HG23 1 1 18 7260 1 1 16 THR N N 3.469 -6.756 -4.190 1.00 . A A . 16 THR N 1 1 18 7261 1 1 16 THR O O 0.344 -5.925 -4.630 1.00 . A A . 16 THR O 1 1 18 7262 1 1 16 THR OG1 O 3.294 -8.058 -6.617 1.00 . A A . 16 THR OG1 1 1 18 7263 1 1 17 PRO C C -0.424 -2.912 -4.801 1.00 . A A . 17 PRO C 1 1 18 7264 1 1 17 PRO CA C 0.569 -3.353 -3.729 1.00 . A A . 17 PRO CA 1 1 18 7265 1 1 17 PRO CB C 1.180 -2.201 -2.937 1.00 . A A . 17 PRO CB 1 1 18 7266 1 1 17 PRO CD C 2.814 -3.760 -3.456 1.00 . A A . 17 PRO CD 1 1 18 7267 1 1 17 PRO CG C 2.681 -2.311 -3.118 1.00 . A A . 17 PRO CG 1 1 18 7268 1 1 17 PRO HA H 0.115 -4.012 -3.004 1.00 . A A . 17 PRO HA 1 1 18 7269 1 1 17 PRO HB3 H 0.865 -2.318 -1.913 1.00 . A A . 17 PRO HB3 1 1 18 7270 1 1 17 PRO HD3 H 2.655 -4.173 -2.487 1.00 . A A . 17 PRO HD3 1 1 18 7271 1 1 17 PRO HG3 H 3.250 -2.118 -2.228 1.00 . A A . 17 PRO HG3 1 1 18 7272 1 1 17 PRO N N 1.659 -4.156 -4.216 1.00 . A A . 17 PRO N 1 1 18 7273 1 1 17 PRO O O -0.097 -2.873 -5.986 1.00 . A A . 17 PRO O 1 1 18 7274 1 1 18 ASP C C -2.438 -0.462 -5.100 1.00 . A A . 18 ASP C 1 1 18 7275 1 1 18 ASP CA C -2.684 -1.969 -5.157 1.00 . A A . 18 ASP CA 1 1 18 7276 1 1 18 ASP CB C -4.063 -2.351 -4.580 1.00 . A A . 18 ASP CB 1 1 18 7277 1 1 18 ASP CG C -5.218 -2.189 -5.562 1.00 . A A . 18 ASP CG 1 1 18 7278 1 1 18 ASP H H -1.787 -2.577 -3.357 1.00 . A A . 18 ASP H 1 1 18 7279 1 1 18 ASP HA H -2.609 -2.319 -6.188 1.00 . A A . 18 ASP HA 1 1 18 7280 1 1 18 ASP HB3 H -4.278 -1.746 -3.709 1.00 . A A . 18 ASP HB3 1 1 18 7281 1 1 18 ASP N N -1.638 -2.583 -4.357 1.00 . A A . 18 ASP N 1 1 18 7282 1 1 18 ASP O O -2.169 0.173 -6.116 1.00 . A A . 18 ASP O 1 1 18 7283 1 1 18 ASP OD1 O -5.140 -2.771 -6.662 1.00 . A A . 18 ASP OD1 1 1 18 7284 1 1 18 ASP OD2 O -6.208 -1.519 -5.187 1.00 . A A . 18 ASP OD2 1 1 18 7285 1 1 19 ARG C C -2.092 1.786 -2.190 1.00 . A A . 19 ARG C 1 1 18 7286 1 1 19 ARG CA C -2.366 1.542 -3.668 1.00 . A A . 19 ARG CA 1 1 18 7287 1 1 19 ARG CB C -3.654 2.299 -4.047 1.00 . A A . 19 ARG CB 1 1 18 7288 1 1 19 ARG CD C -6.169 2.066 -4.658 1.00 . A A . 19 ARG CD 1 1 18 7289 1 1 19 ARG CG C -4.915 1.444 -4.033 1.00 . A A . 19 ARG CG 1 1 18 7290 1 1 19 ARG CZ C -7.824 0.876 -6.110 1.00 . A A . 19 ARG CZ 1 1 18 7291 1 1 19 ARG H H -2.864 -0.406 -3.092 1.00 . A A . 19 ARG H 1 1 18 7292 1 1 19 ARG HA H -1.527 1.920 -4.254 1.00 . A A . 19 ARG HA 1 1 18 7293 1 1 19 ARG HB3 H -3.530 2.792 -5.013 1.00 . A A . 19 ARG HB3 1 1 18 7294 1 1 19 ARG HD3 H -5.870 2.611 -5.554 1.00 . A A . 19 ARG HD3 1 1 18 7295 1 1 19 ARG HE H -6.743 0.040 -4.678 1.00 . A A . 19 ARG HE 1 1 18 7296 1 1 19 ARG HG3 H -5.076 1.081 -3.028 1.00 . A A . 19 ARG HG3 1 1 18 7297 1 1 19 ARG HH11 H -8.144 2.872 -6.221 1.00 . A A . 19 ARG HH11 1 1 18 7298 1 1 19 ARG HH12 H -8.906 1.949 -7.488 1.00 . A A . 19 ARG HH12 1 1 18 7299 1 1 19 ARG HH21 H -7.469 -1.086 -6.225 1.00 . A A . 19 ARG HH21 1 1 18 7300 1 1 19 ARG HH22 H -8.593 -0.504 -7.457 1.00 . A A . 19 ARG HH22 1 1 18 7301 1 1 19 ARG N N -2.524 0.117 -3.894 1.00 . A A . 19 ARG N 1 1 18 7302 1 1 19 ARG NE N -7.051 0.953 -5.023 1.00 . A A . 19 ARG NE 1 1 18 7303 1 1 19 ARG NH1 N -8.333 1.983 -6.659 1.00 . A A . 19 ARG NH1 1 1 18 7304 1 1 19 ARG NH2 N -8.043 -0.332 -6.633 1.00 . A A . 19 ARG NH2 1 1 18 7305 1 1 19 ARG O O -2.591 1.052 -1.342 1.00 . A A . 19 ARG O 1 1 18 7306 1 1 20 CYS C C -2.937 4.459 -0.927 1.00 . A A . 20 CYS C 1 1 18 7307 1 1 20 CYS CA C -1.711 3.599 -0.642 1.00 . A A . 20 CYS CA 1 1 18 7308 1 1 20 CYS CB C -0.534 4.461 -0.197 1.00 . A A . 20 CYS CB 1 1 18 7309 1 1 20 CYS H H -1.110 3.466 -2.657 1.00 . A A . 20 CYS H 1 1 18 7310 1 1 20 CYS HA H -1.926 2.896 0.157 1.00 . A A . 20 CYS HA 1 1 18 7311 1 1 20 CYS HB3 H -0.323 5.202 -0.966 1.00 . A A . 20 CYS HB3 1 1 18 7312 1 1 20 CYS N N -1.424 2.897 -1.884 1.00 . A A . 20 CYS N 1 1 18 7313 1 1 20 CYS O O -2.887 5.314 -1.811 1.00 . A A . 20 CYS O 1 1 18 7314 1 1 20 CYS SG S -0.880 5.320 1.356 1.00 . A A . 20 CYS SG 1 1 18 7315 1 1 21 SER C C -6.254 4.636 0.610 1.00 . A A . 21 SER C 1 1 18 7316 1 1 21 SER CA C -5.335 4.819 -0.591 1.00 . A A . 21 SER CA 1 1 18 7317 1 1 21 SER CB C -5.913 4.209 -1.877 1.00 . A A . 21 SER CB 1 1 18 7318 1 1 21 SER H H -4.110 3.419 0.388 1.00 . A A . 21 SER H 1 1 18 7319 1 1 21 SER HA H -5.179 5.891 -0.729 1.00 . A A . 21 SER HA 1 1 18 7320 1 1 21 SER HB3 H -6.995 4.309 -1.851 1.00 . A A . 21 SER HB3 1 1 18 7321 1 1 21 SER HG H -4.481 5.165 -2.796 1.00 . A A . 21 SER HG 1 1 18 7322 1 1 21 SER N N -4.071 4.173 -0.293 1.00 . A A . 21 SER N 1 1 18 7323 1 1 21 SER O O -6.174 3.613 1.278 1.00 . A A . 21 SER O 1 1 18 7324 1 1 21 SER OG O -5.405 4.933 -2.981 1.00 . A A . 21 SER OG 1 1 18 7325 1 1 22 TYR C C -7.152 5.315 3.377 1.00 . A A . 22 TYR C 1 1 18 7326 1 1 22 TYR CA C -7.975 5.563 2.096 1.00 . A A . 22 TYR CA 1 1 18 7327 1 1 22 TYR CB C -9.075 4.522 1.849 1.00 . A A . 22 TYR CB 1 1 18 7328 1 1 22 TYR CD1 C -10.673 5.331 3.669 1.00 . A A . 22 TYR CD1 1 1 18 7329 1 1 22 TYR CD2 C -11.586 4.577 1.544 1.00 . A A . 22 TYR CD2 1 1 18 7330 1 1 22 TYR CE1 C -11.977 5.561 4.142 1.00 . A A . 22 TYR CE1 1 1 18 7331 1 1 22 TYR CE2 C -12.888 4.802 2.021 1.00 . A A . 22 TYR CE2 1 1 18 7332 1 1 22 TYR CG C -10.470 4.846 2.361 1.00 . A A . 22 TYR CG 1 1 18 7333 1 1 22 TYR CZ C -13.083 5.292 3.323 1.00 . A A . 22 TYR CZ 1 1 18 7334 1 1 22 TYR H H -7.128 6.451 0.347 1.00 . A A . 22 TYR H 1 1 18 7335 1 1 22 TYR HA H -8.479 6.513 2.193 1.00 . A A . 22 TYR HA 1 1 18 7336 1 1 22 TYR HB3 H -8.752 3.597 2.302 1.00 . A A . 22 TYR HB3 1 1 18 7337 1 1 22 TYR HD1 H -9.840 5.524 4.326 1.00 . A A . 22 TYR HD1 1 1 18 7338 1 1 22 TYR HD2 H -11.452 4.183 0.548 1.00 . A A . 22 TYR HD2 1 1 18 7339 1 1 22 TYR HE1 H -12.129 5.928 5.147 1.00 . A A . 22 TYR HE1 1 1 18 7340 1 1 22 TYR HE2 H -13.734 4.584 1.384 1.00 . A A . 22 TYR HE2 1 1 18 7341 1 1 22 TYR HH H -15.028 5.275 3.164 1.00 . A A . 22 TYR HH 1 1 18 7342 1 1 22 TYR N N -7.094 5.625 0.927 1.00 . A A . 22 TYR N 1 1 18 7343 1 1 22 TYR O O -7.540 4.539 4.247 1.00 . A A . 22 TYR O 1 1 18 7344 1 1 22 TYR OH O -14.343 5.505 3.796 1.00 . A A . 22 TYR OH 1 1 18 7345 1 1 23 GLY C C -4.600 4.305 4.803 1.00 . A A . 23 GLY C 1 1 18 7346 1 1 23 GLY CA C -5.028 5.762 4.571 1.00 . A A . 23 GLY CA 1 1 18 7347 1 1 23 GLY H H -5.701 6.559 2.717 1.00 . A A . 23 GLY H 1 1 18 7348 1 1 23 GLY HA2 H -4.136 6.351 4.359 1.00 . A A . 23 GLY HA2 1 1 18 7349 1 1 23 GLY HA3 H -5.489 6.145 5.483 1.00 . A A . 23 GLY HA3 1 1 18 7350 1 1 23 GLY N N -5.969 5.938 3.467 1.00 . A A . 23 GLY N 1 1 18 7351 1 1 23 GLY O O -4.046 3.979 5.854 1.00 . A A . 23 GLY O 1 1 18 7352 1 1 24 THR C C -3.710 1.618 2.763 1.00 . A A . 24 THR C 1 1 18 7353 1 1 24 THR CA C -4.676 2.002 3.878 1.00 . A A . 24 THR CA 1 1 18 7354 1 1 24 THR CB C -6.051 1.338 3.689 1.00 . A A . 24 THR CB 1 1 18 7355 1 1 24 THR CG2 C -5.996 -0.187 3.819 1.00 . A A . 24 THR CG2 1 1 18 7356 1 1 24 THR H H -5.233 3.782 2.952 1.00 . A A . 24 THR H 1 1 18 7357 1 1 24 THR HA H -4.275 1.719 4.847 1.00 . A A . 24 THR HA 1 1 18 7358 1 1 24 THR HB H -6.435 1.576 2.699 1.00 . A A . 24 THR HB 1 1 18 7359 1 1 24 THR HG1 H -7.086 2.780 4.518 1.00 . A A . 24 THR HG1 1 1 18 7360 1 1 24 THR HG21 H -5.660 -0.464 4.816 1.00 . A A . 24 THR HG21 1 1 18 7361 1 1 24 THR HG22 H -6.995 -0.593 3.660 1.00 . A A . 24 THR HG22 1 1 18 7362 1 1 24 THR HG23 H -5.325 -0.614 3.075 1.00 . A A . 24 THR HG23 1 1 18 7363 1 1 24 THR N N -4.847 3.440 3.818 1.00 . A A . 24 THR N 1 1 18 7364 1 1 24 THR O O -3.856 2.100 1.640 1.00 . A A . 24 THR O 1 1 18 7365 1 1 24 THR OG1 O -6.956 1.831 4.657 1.00 . A A . 24 THR OG1 1 1 18 7366 1 1 25 CYS C C -2.590 -1.028 1.471 1.00 . A A . 25 CYS C 1 1 18 7367 1 1 25 CYS CA C -1.875 0.222 2.001 1.00 . A A . 25 CYS CA 1 1 18 7368 1 1 25 CYS CB C -0.404 0.119 2.441 1.00 . A A . 25 CYS CB 1 1 18 7369 1 1 25 CYS H H -2.684 0.346 3.974 1.00 . A A . 25 CYS H 1 1 18 7370 1 1 25 CYS HA H -1.828 0.926 1.173 1.00 . A A . 25 CYS HA 1 1 18 7371 1 1 25 CYS HB3 H -0.260 0.636 3.389 1.00 . A A . 25 CYS HB3 1 1 18 7372 1 1 25 CYS N N -2.718 0.774 3.053 1.00 . A A . 25 CYS N 1 1 18 7373 1 1 25 CYS O O -2.487 -2.131 1.998 1.00 . A A . 25 CYS O 1 1 18 7374 1 1 25 CYS SG S 0.378 -1.484 2.563 1.00 . A A . 25 CYS SG 1 1 18 7375 1 1 26 TYR C C -3.175 -2.666 -1.026 1.00 . A A . 26 TYR C 1 1 18 7376 1 1 26 TYR CA C -4.174 -1.842 -0.229 1.00 . A A . 26 TYR CA 1 1 18 7377 1 1 26 TYR CB C -5.176 -1.181 -1.182 1.00 . A A . 26 TYR CB 1 1 18 7378 1 1 26 TYR CD1 C -7.457 -1.570 -0.181 1.00 . A A . 26 TYR CD1 1 1 18 7379 1 1 26 TYR CD2 C -6.604 0.707 -0.262 1.00 . A A . 26 TYR CD2 1 1 18 7380 1 1 26 TYR CE1 C -8.661 -1.102 0.374 1.00 . A A . 26 TYR CE1 1 1 18 7381 1 1 26 TYR CE2 C -7.832 1.178 0.235 1.00 . A A . 26 TYR CE2 1 1 18 7382 1 1 26 TYR CG C -6.429 -0.666 -0.506 1.00 . A A . 26 TYR CG 1 1 18 7383 1 1 26 TYR CZ C -8.847 0.273 0.584 1.00 . A A . 26 TYR CZ 1 1 18 7384 1 1 26 TYR H H -3.410 0.112 0.029 1.00 . A A . 26 TYR H 1 1 18 7385 1 1 26 TYR HA H -4.699 -2.476 0.489 1.00 . A A . 26 TYR HA 1 1 18 7386 1 1 26 TYR HB3 H -5.510 -1.922 -1.906 1.00 . A A . 26 TYR HB3 1 1 18 7387 1 1 26 TYR HD1 H -7.333 -2.627 -0.367 1.00 . A A . 26 TYR HD1 1 1 18 7388 1 1 26 TYR HD2 H -5.799 1.397 -0.462 1.00 . A A . 26 TYR HD2 1 1 18 7389 1 1 26 TYR HE1 H -9.447 -1.797 0.629 1.00 . A A . 26 TYR HE1 1 1 18 7390 1 1 26 TYR HE2 H -7.992 2.235 0.357 1.00 . A A . 26 TYR HE2 1 1 18 7391 1 1 26 TYR HH H -10.000 1.662 1.325 1.00 . A A . 26 TYR HH 1 1 18 7392 1 1 26 TYR N N -3.436 -0.804 0.466 1.00 . A A . 26 TYR N 1 1 18 7393 1 1 26 TYR O O -2.363 -2.074 -1.739 1.00 . A A . 26 TYR O 1 1 18 7394 1 1 26 TYR OH O -10.017 0.726 1.116 1.00 . A A . 26 TYR OH 1 1 18 7395 1 1 27 CYS C C -3.076 -5.582 -2.812 1.00 . A A . 27 CYS C 1 1 18 7396 1 1 27 CYS CA C -2.343 -4.883 -1.674 1.00 . A A . 27 CYS CA 1 1 18 7397 1 1 27 CYS CB C -1.538 -5.821 -0.768 1.00 . A A . 27 CYS CB 1 1 18 7398 1 1 27 CYS H H -3.942 -4.435 -0.356 1.00 . A A . 27 CYS H 1 1 18 7399 1 1 27 CYS HA H -1.614 -4.247 -2.129 1.00 . A A . 27 CYS HA 1 1 18 7400 1 1 27 CYS HB3 H -0.778 -6.312 -1.376 1.00 . A A . 27 CYS HB3 1 1 18 7401 1 1 27 CYS N N -3.236 -4.002 -0.933 1.00 . A A . 27 CYS N 1 1 18 7402 1 1 27 CYS O O -4.242 -5.941 -2.666 1.00 . A A . 27 CYS O 1 1 18 7403 1 1 27 CYS SG S -0.656 -4.938 0.534 1.00 . A A . 27 CYS SG 1 1 18 7404 1 1 28 LYS C C -3.421 -7.672 -5.023 1.00 . A A . 28 LYS C 1 1 18 7405 1 1 28 LYS CA C -3.091 -6.188 -5.182 1.00 . A A . 28 LYS CA 1 1 18 7406 1 1 28 LYS CB C -2.209 -5.917 -6.415 1.00 . A A . 28 LYS CB 1 1 18 7407 1 1 28 LYS CD C -4.034 -6.331 -8.199 1.00 . A A . 28 LYS CD 1 1 18 7408 1 1 28 LYS CE C -5.445 -5.949 -7.706 1.00 . A A . 28 LYS CE 1 1 18 7409 1 1 28 LYS CG C -2.948 -5.391 -7.654 1.00 . A A . 28 LYS CG 1 1 18 7410 1 1 28 LYS H H -1.437 -5.490 -4.054 1.00 . A A . 28 LYS H 1 1 18 7411 1 1 28 LYS HA H -4.013 -5.620 -5.269 1.00 . A A . 28 LYS HA 1 1 18 7412 1 1 28 LYS HB3 H -1.646 -6.816 -6.672 1.00 . A A . 28 LYS HB3 1 1 18 7413 1 1 28 LYS HD3 H -3.768 -7.361 -7.952 1.00 . A A . 28 LYS HD3 1 1 18 7414 1 1 28 LYS HE3 H -5.982 -5.449 -8.514 1.00 . A A . 28 LYS HE3 1 1 18 7415 1 1 28 LYS HG3 H -2.189 -5.263 -8.430 1.00 . A A . 28 LYS HG3 1 1 18 7416 1 1 28 LYS HZ1 H -6.354 -7.776 -8.003 1.00 . A A . 28 LYS HZ1 1 1 18 7417 1 1 28 LYS HZ2 H -5.698 -7.584 -6.501 1.00 . A A . 28 LYS HZ2 1 1 18 7418 1 1 28 LYS HZ3 H -7.109 -6.826 -6.886 1.00 . A A . 28 LYS HZ3 1 1 18 7419 1 1 28 LYS N N -2.423 -5.717 -3.976 1.00 . A A . 28 LYS N 1 1 18 7420 1 1 28 LYS NZ N -6.214 -7.122 -7.248 1.00 . A A . 28 LYS NZ 1 1 18 7421 1 1 28 LYS O O -4.439 -8.158 -5.525 1.00 . A A . 28 LYS O 1 1 18 7422 1 1 29 THR C C -2.058 -9.741 -2.434 1.00 . A A . 29 THR C 1 1 18 7423 1 1 29 THR CA C -2.814 -9.710 -3.767 1.00 . A A . 29 THR CA 1 1 18 7424 1 1 29 THR CB C -2.448 -10.802 -4.793 1.00 . A A . 29 THR CB 1 1 18 7425 1 1 29 THR CG2 C -3.165 -12.126 -4.499 1.00 . A A . 29 THR CG2 1 1 18 7426 1 1 29 THR H H -1.745 -7.917 -3.937 1.00 . A A . 29 THR H 1 1 18 7427 1 1 29 THR HA H -3.875 -9.794 -3.532 1.00 . A A . 29 THR HA 1 1 18 7428 1 1 29 THR HB H -1.367 -10.954 -4.818 1.00 . A A . 29 THR HB 1 1 18 7429 1 1 29 THR HG1 H -3.648 -9.849 -5.991 1.00 . A A . 29 THR HG1 1 1 18 7430 1 1 29 THR HG21 H -2.931 -12.505 -3.505 1.00 . A A . 29 THR HG21 1 1 18 7431 1 1 29 THR HG22 H -4.243 -11.986 -4.571 1.00 . A A . 29 THR HG22 1 1 18 7432 1 1 29 THR HG23 H -2.861 -12.869 -5.237 1.00 . A A . 29 THR HG23 1 1 18 7433 1 1 29 THR N N -2.550 -8.394 -4.318 1.00 . A A . 29 THR N 1 1 18 7434 1 1 29 THR O O -2.076 -8.739 -1.722 1.00 . A A . 29 THR O 1 1 18 7435 1 1 29 THR OG1 O -2.860 -10.399 -6.084 1.00 . A A . 29 THR OG1 1 1 18 7436 1 1 30 THR C C 0.670 -10.040 -0.943 1.00 . A A . 30 THR C 1 1 18 7437 1 1 30 THR CA C -0.608 -10.891 -0.848 1.00 . A A . 30 THR CA 1 1 18 7438 1 1 30 THR CB C -0.352 -12.354 -0.444 1.00 . A A . 30 THR CB 1 1 18 7439 1 1 30 THR CG2 C 0.551 -13.104 -1.430 1.00 . A A . 30 THR CG2 1 1 18 7440 1 1 30 THR H H -1.338 -11.613 -2.717 1.00 . A A . 30 THR H 1 1 18 7441 1 1 30 THR HA H -1.220 -10.456 -0.054 1.00 . A A . 30 THR HA 1 1 18 7442 1 1 30 THR HB H -1.315 -12.867 -0.395 1.00 . A A . 30 THR HB 1 1 18 7443 1 1 30 THR HG1 H 0.242 -13.314 1.149 1.00 . A A . 30 THR HG1 1 1 18 7444 1 1 30 THR HG21 H 0.111 -13.109 -2.427 1.00 . A A . 30 THR HG21 1 1 18 7445 1 1 30 THR HG22 H 1.536 -12.639 -1.477 1.00 . A A . 30 THR HG22 1 1 18 7446 1 1 30 THR HG23 H 0.668 -14.137 -1.101 1.00 . A A . 30 THR HG23 1 1 18 7447 1 1 30 THR N N -1.376 -10.833 -2.085 1.00 . A A . 30 THR N 1 1 18 7448 1 1 30 THR O O 0.959 -9.411 -1.961 1.00 . A A . 30 THR O 1 1 18 7449 1 1 30 THR OG1 O 0.225 -12.401 0.847 1.00 . A A . 30 THR OG1 1 1 18 7450 1 1 31 NH2 HN1 H 1.197 -10.652 0.896 1.00 . A A . 31 NH2 HN1 1 1 18 7451 1 1 31 NH2 HN2 H 2.295 -9.483 0.157 1.00 . A A . 31 NH2 HN2 1 1 18 7452 1 1 31 NH2 N N 1.452 -10.033 0.133 1.00 . A A . 31 NH2 N 1 1 19 7453 1 1 1 PCA C C -1.071 8.390 7.847 1.00 . A A . 1 PCA C 1 1 19 7454 1 1 1 PCA CA C -0.013 9.283 7.206 1.00 . A A . 1 PCA CA 1 1 19 7455 1 1 1 PCA CB C 1.294 9.193 8.005 1.00 . A A . 1 PCA CB 1 1 19 7456 1 1 1 PCA CD C 0.117 11.252 8.388 1.00 . A A . 1 PCA CD 1 1 19 7457 1 1 1 PCA CG C 1.087 10.289 9.053 1.00 . A A . 1 PCA CG 1 1 19 7458 1 1 1 PCA HA H 0.133 8.997 6.165 1.00 . A A . 1 PCA HA 1 1 19 7459 1 1 1 PCA HB2 H 2.134 9.470 7.367 1.00 . A A . 1 PCA HB2 1 1 19 7460 1 1 1 PCA HB3 H 1.465 8.212 8.448 1.00 . A A . 1 PCA HB3 1 1 19 7461 1 1 1 PCA HG2 H 0.623 9.874 9.948 1.00 . A A . 1 PCA HG2 1 1 19 7462 1 1 1 PCA HG3 H 2.032 10.775 9.306 1.00 . A A . 1 PCA HG3 1 1 19 7463 1 1 1 PCA N N -0.409 10.677 7.307 1.00 . A A . 1 PCA N 1 1 19 7464 1 1 1 PCA O O -1.817 8.822 8.726 1.00 . A A . 1 PCA O 1 1 19 7465 1 1 1 PCA OE O 0.011 12.416 8.740 1.00 . A A . 1 PCA OE 1 1 19 7466 1 1 2 THR C C -1.138 4.818 8.093 1.00 . A A . 2 THR C 1 1 19 7467 1 1 2 THR CA C -1.934 6.119 8.118 1.00 . A A . 2 THR CA 1 1 19 7468 1 1 2 THR CB C -3.354 6.103 7.536 1.00 . A A . 2 THR CB 1 1 19 7469 1 1 2 THR CG2 C -4.329 5.262 8.368 1.00 . A A . 2 THR CG2 1 1 19 7470 1 1 2 THR H H -0.571 6.836 6.638 1.00 . A A . 2 THR H 1 1 19 7471 1 1 2 THR HA H -2.035 6.340 9.171 1.00 . A A . 2 THR HA 1 1 19 7472 1 1 2 THR HB H -3.297 5.752 6.511 1.00 . A A . 2 THR HB 1 1 19 7473 1 1 2 THR HG1 H -3.368 7.974 8.103 1.00 . A A . 2 THR HG1 1 1 19 7474 1 1 2 THR HG21 H -4.401 5.672 9.377 1.00 . A A . 2 THR HG21 1 1 19 7475 1 1 2 THR HG22 H -5.318 5.296 7.909 1.00 . A A . 2 THR HG22 1 1 19 7476 1 1 2 THR HG23 H -4.015 4.221 8.432 1.00 . A A . 2 THR HG23 1 1 19 7477 1 1 2 THR N N -1.137 7.128 7.431 1.00 . A A . 2 THR N 1 1 19 7478 1 1 2 THR O O -0.039 4.784 8.641 1.00 . A A . 2 THR O 1 1 19 7479 1 1 2 THR OG1 O -3.875 7.418 7.491 1.00 . A A . 2 THR OG1 1 1 19 7480 1 1 3 GLN C C 0.445 3.074 6.312 1.00 . A A . 3 GLN C 1 1 19 7481 1 1 3 GLN CA C -0.763 2.621 7.137 1.00 . A A . 3 GLN CA 1 1 19 7482 1 1 3 GLN CB C -1.522 1.549 6.354 1.00 . A A . 3 GLN CB 1 1 19 7483 1 1 3 GLN CD C -3.274 -0.250 6.515 1.00 . A A . 3 GLN CD 1 1 19 7484 1 1 3 GLN CG C -2.621 0.893 7.190 1.00 . A A . 3 GLN CG 1 1 19 7485 1 1 3 GLN H H -2.540 3.842 7.008 1.00 . A A . 3 GLN H 1 1 19 7486 1 1 3 GLN HA H -0.403 2.188 8.071 1.00 . A A . 3 GLN HA 1 1 19 7487 1 1 3 GLN HB3 H -0.810 0.776 6.057 1.00 . A A . 3 GLN HB3 1 1 19 7488 1 1 3 GLN HE21 H -4.431 -0.388 8.188 1.00 . A A . 3 GLN HE21 1 1 19 7489 1 1 3 GLN HE22 H -4.493 -1.659 7.021 1.00 . A A . 3 GLN HE22 1 1 19 7490 1 1 3 GLN HG3 H -3.466 1.529 7.418 1.00 . A A . 3 GLN HG3 1 1 19 7491 1 1 3 GLN N N -1.621 3.769 7.426 1.00 . A A . 3 GLN N 1 1 19 7492 1 1 3 GLN NE2 N -4.196 -0.777 7.288 1.00 . A A . 3 GLN NE2 1 1 19 7493 1 1 3 GLN O O 1.552 2.562 6.474 1.00 . A A . 3 GLN O 1 1 19 7494 1 1 3 GLN OE1 O -2.960 -0.662 5.401 1.00 . A A . 3 GLN OE1 1 1 19 7495 1 1 4 CYS C C 0.831 6.017 4.207 1.00 . A A . 4 CYS C 1 1 19 7496 1 1 4 CYS CA C 1.113 4.535 4.415 1.00 . A A . 4 CYS CA 1 1 19 7497 1 1 4 CYS CB C 0.904 3.785 3.095 1.00 . A A . 4 CYS CB 1 1 19 7498 1 1 4 CYS H H -0.740 4.412 5.368 1.00 . A A . 4 CYS H 1 1 19 7499 1 1 4 CYS HA H 2.146 4.409 4.744 1.00 . A A . 4 CYS HA 1 1 19 7500 1 1 4 CYS HB3 H 1.247 2.767 3.220 1.00 . A A . 4 CYS HB3 1 1 19 7501 1 1 4 CYS N N 0.189 4.017 5.404 1.00 . A A . 4 CYS N 1 1 19 7502 1 1 4 CYS O O -0.128 6.562 4.762 1.00 . A A . 4 CYS O 1 1 19 7503 1 1 4 CYS SG S -0.805 3.753 2.479 1.00 . A A . 4 CYS SG 1 1 19 7504 1 1 5 GLN C C 1.390 7.820 1.261 1.00 . A A . 5 GLN C 1 1 19 7505 1 1 5 GLN CA C 1.529 7.948 2.784 1.00 . A A . 5 GLN CA 1 1 19 7506 1 1 5 GLN CB C 2.748 8.818 3.124 1.00 . A A . 5 GLN CB 1 1 19 7507 1 1 5 GLN CD C 4.033 9.953 5.003 1.00 . A A . 5 GLN CD 1 1 19 7508 1 1 5 GLN CG C 2.792 9.155 4.618 1.00 . A A . 5 GLN CG 1 1 19 7509 1 1 5 GLN H H 2.501 6.109 3.095 1.00 . A A . 5 GLN H 1 1 19 7510 1 1 5 GLN HA H 0.631 8.439 3.164 1.00 . A A . 5 GLN HA 1 1 19 7511 1 1 5 GLN HB3 H 2.684 9.743 2.551 1.00 . A A . 5 GLN HB3 1 1 19 7512 1 1 5 GLN HE21 H 3.660 11.380 3.598 1.00 . A A . 5 GLN HE21 1 1 19 7513 1 1 5 GLN HE22 H 5.090 11.614 4.589 1.00 . A A . 5 GLN HE22 1 1 19 7514 1 1 5 GLN HG3 H 2.785 8.234 5.202 1.00 . A A . 5 GLN HG3 1 1 19 7515 1 1 5 GLN N N 1.681 6.638 3.393 1.00 . A A . 5 GLN N 1 1 19 7516 1 1 5 GLN NE2 N 4.275 11.079 4.337 1.00 . A A . 5 GLN NE2 1 1 19 7517 1 1 5 GLN O O 0.714 8.643 0.645 1.00 . A A . 5 GLN O 1 1 19 7518 1 1 5 GLN OE1 O 4.764 9.577 5.912 1.00 . A A . 5 GLN OE1 1 1 19 7519 1 1 6 SER C C 2.449 5.246 -1.166 1.00 . A A . 6 SER C 1 1 19 7520 1 1 6 SER CA C 2.060 6.686 -0.831 1.00 . A A . 6 SER CA 1 1 19 7521 1 1 6 SER CB C 3.061 7.676 -1.442 1.00 . A A . 6 SER CB 1 1 19 7522 1 1 6 SER H H 2.605 6.166 1.152 1.00 . A A . 6 SER H 1 1 19 7523 1 1 6 SER HA H 1.066 6.877 -1.238 1.00 . A A . 6 SER HA 1 1 19 7524 1 1 6 SER HB3 H 3.261 7.415 -2.482 1.00 . A A . 6 SER HB3 1 1 19 7525 1 1 6 SER HG H 1.889 9.062 -0.706 1.00 . A A . 6 SER HG 1 1 19 7526 1 1 6 SER N N 2.044 6.844 0.621 1.00 . A A . 6 SER N 1 1 19 7527 1 1 6 SER O O 2.955 4.534 -0.311 1.00 . A A . 6 SER O 1 1 19 7528 1 1 6 SER OG O 2.541 8.991 -1.416 1.00 . A A . 6 SER OG 1 1 19 7529 1 1 7 VAL C C 3.817 2.870 -2.385 1.00 . A A . 7 VAL C 1 1 19 7530 1 1 7 VAL CA C 2.432 3.405 -2.793 1.00 . A A . 7 VAL CA 1 1 19 7531 1 1 7 VAL CB C 2.133 3.292 -4.295 1.00 . A A . 7 VAL CB 1 1 19 7532 1 1 7 VAL CG1 C 3.194 3.958 -5.181 1.00 . A A . 7 VAL CG1 1 1 19 7533 1 1 7 VAL CG2 C 1.948 1.831 -4.678 1.00 . A A . 7 VAL CG2 1 1 19 7534 1 1 7 VAL H H 1.767 5.363 -3.092 1.00 . A A . 7 VAL H 1 1 19 7535 1 1 7 VAL HA H 1.688 2.814 -2.255 1.00 . A A . 7 VAL HA 1 1 19 7536 1 1 7 VAL HB H 1.180 3.788 -4.489 1.00 . A A . 7 VAL HB 1 1 19 7537 1 1 7 VAL HG11 H 3.329 5.000 -4.896 1.00 . A A . 7 VAL HG11 1 1 19 7538 1 1 7 VAL HG12 H 4.147 3.435 -5.098 1.00 . A A . 7 VAL HG12 1 1 19 7539 1 1 7 VAL HG13 H 2.871 3.921 -6.222 1.00 . A A . 7 VAL HG13 1 1 19 7540 1 1 7 VAL HG21 H 1.160 1.412 -4.055 1.00 . A A . 7 VAL HG21 1 1 19 7541 1 1 7 VAL HG22 H 1.653 1.768 -5.723 1.00 . A A . 7 VAL HG22 1 1 19 7542 1 1 7 VAL HG23 H 2.877 1.285 -4.522 1.00 . A A . 7 VAL HG23 1 1 19 7543 1 1 7 VAL N N 2.218 4.789 -2.401 1.00 . A A . 7 VAL N 1 1 19 7544 1 1 7 VAL O O 3.937 1.712 -1.992 1.00 . A A . 7 VAL O 1 1 19 7545 1 1 8 ARG C C 6.252 2.785 -0.596 1.00 . A A . 8 ARG C 1 1 19 7546 1 1 8 ARG CA C 6.200 3.452 -1.979 1.00 . A A . 8 ARG CA 1 1 19 7547 1 1 8 ARG CB C 6.970 4.779 -1.985 1.00 . A A . 8 ARG CB 1 1 19 7548 1 1 8 ARG CD C 9.229 5.874 -1.994 1.00 . A A . 8 ARG CD 1 1 19 7549 1 1 8 ARG CG C 8.479 4.538 -1.989 1.00 . A A . 8 ARG CG 1 1 19 7550 1 1 8 ARG CZ C 11.594 6.656 -2.114 1.00 . A A . 8 ARG CZ 1 1 19 7551 1 1 8 ARG H H 4.671 4.645 -2.794 1.00 . A A . 8 ARG H 1 1 19 7552 1 1 8 ARG HA H 6.655 2.778 -2.702 1.00 . A A . 8 ARG HA 1 1 19 7553 1 1 8 ARG HB3 H 6.683 5.375 -1.115 1.00 . A A . 8 ARG HB3 1 1 19 7554 1 1 8 ARG HD3 H 8.978 6.412 -1.076 1.00 . A A . 8 ARG HD3 1 1 19 7555 1 1 8 ARG HE H 10.995 4.707 -2.094 1.00 . A A . 8 ARG HE 1 1 19 7556 1 1 8 ARG HG3 H 8.719 3.970 -2.887 1.00 . A A . 8 ARG HG3 1 1 19 7557 1 1 8 ARG HH11 H 10.208 8.134 -1.977 1.00 . A A . 8 ARG HH11 1 1 19 7558 1 1 8 ARG HH12 H 11.847 8.700 -2.092 1.00 . A A . 8 ARG HH12 1 1 19 7559 1 1 8 ARG HH21 H 13.206 5.403 -2.253 1.00 . A A . 8 ARG HH21 1 1 19 7560 1 1 8 ARG HH22 H 13.595 7.092 -2.248 1.00 . A A . 8 ARG HH22 1 1 19 7561 1 1 8 ARG N N 4.843 3.726 -2.428 1.00 . A A . 8 ARG N 1 1 19 7562 1 1 8 ARG NE N 10.684 5.668 -2.069 1.00 . A A . 8 ARG NE 1 1 19 7563 1 1 8 ARG NH1 N 11.193 7.931 -2.062 1.00 . A A . 8 ARG NH1 1 1 19 7564 1 1 8 ARG NH2 N 12.896 6.365 -2.213 1.00 . A A . 8 ARG NH2 1 1 19 7565 1 1 8 ARG O O 7.093 1.920 -0.351 1.00 . A A . 8 ARG O 1 1 19 7566 1 1 9 ASP C C 4.800 1.113 1.415 1.00 . A A . 9 ASP C 1 1 19 7567 1 1 9 ASP CA C 5.209 2.566 1.619 1.00 . A A . 9 ASP CA 1 1 19 7568 1 1 9 ASP CB C 4.119 3.355 2.342 1.00 . A A . 9 ASP CB 1 1 19 7569 1 1 9 ASP CG C 4.572 4.758 2.688 1.00 . A A . 9 ASP CG 1 1 19 7570 1 1 9 ASP H H 4.658 3.875 0.099 1.00 . A A . 9 ASP H 1 1 19 7571 1 1 9 ASP HA H 6.134 2.612 2.194 1.00 . A A . 9 ASP HA 1 1 19 7572 1 1 9 ASP HB3 H 3.759 2.872 3.233 1.00 . A A . 9 ASP HB3 1 1 19 7573 1 1 9 ASP N N 5.367 3.183 0.319 1.00 . A A . 9 ASP N 1 1 19 7574 1 1 9 ASP O O 5.489 0.182 1.842 1.00 . A A . 9 ASP O 1 1 19 7575 1 1 9 ASP OD1 O 5.592 4.886 3.394 1.00 . A A . 9 ASP OD1 1 1 19 7576 1 1 9 ASP OD2 O 3.871 5.687 2.232 1.00 . A A . 9 ASP OD2 1 1 19 7577 1 1 10 CYS C C 4.292 -1.280 -0.243 1.00 . A A . 10 CYS C 1 1 19 7578 1 1 10 CYS CA C 3.234 -0.451 0.464 1.00 . A A . 10 CYS CA 1 1 19 7579 1 1 10 CYS CB C 1.895 -0.604 -0.257 1.00 . A A . 10 CYS CB 1 1 19 7580 1 1 10 CYS H H 3.209 1.689 0.284 1.00 . A A . 10 CYS H 1 1 19 7581 1 1 10 CYS HA H 3.114 -0.917 1.432 1.00 . A A . 10 CYS HA 1 1 19 7582 1 1 10 CYS HB3 H 2.178 -0.923 -1.215 1.00 . A A . 10 CYS HB3 1 1 19 7583 1 1 10 CYS N N 3.682 0.905 0.711 1.00 . A A . 10 CYS N 1 1 19 7584 1 1 10 CYS O O 4.367 -2.472 0.005 1.00 . A A . 10 CYS O 1 1 19 7585 1 1 10 CYS SG S 0.843 -1.885 0.473 1.00 . A A . 10 CYS SG 1 1 19 7586 1 1 11 GLN C C 7.108 -2.107 -0.853 1.00 . A A . 11 GLN C 1 1 19 7587 1 1 11 GLN CA C 6.127 -1.447 -1.838 1.00 . A A . 11 GLN CA 1 1 19 7588 1 1 11 GLN CB C 6.869 -0.558 -2.842 1.00 . A A . 11 GLN CB 1 1 19 7589 1 1 11 GLN CD C 6.681 0.745 -4.999 1.00 . A A . 11 GLN CD 1 1 19 7590 1 1 11 GLN CG C 5.975 -0.203 -4.037 1.00 . A A . 11 GLN CG 1 1 19 7591 1 1 11 GLN H H 4.944 0.288 -1.354 1.00 . A A . 11 GLN H 1 1 19 7592 1 1 11 GLN HA H 5.632 -2.240 -2.407 1.00 . A A . 11 GLN HA 1 1 19 7593 1 1 11 GLN HB3 H 7.738 -1.101 -3.214 1.00 . A A . 11 GLN HB3 1 1 19 7594 1 1 11 GLN HE21 H 8.009 -0.693 -5.558 1.00 . A A . 11 GLN HE21 1 1 19 7595 1 1 11 GLN HE22 H 8.189 0.872 -6.330 1.00 . A A . 11 GLN HE22 1 1 19 7596 1 1 11 GLN HG3 H 5.062 0.275 -3.689 1.00 . A A . 11 GLN HG3 1 1 19 7597 1 1 11 GLN N N 5.096 -0.691 -1.134 1.00 . A A . 11 GLN N 1 1 19 7598 1 1 11 GLN NE2 N 7.715 0.264 -5.683 1.00 . A A . 11 GLN NE2 1 1 19 7599 1 1 11 GLN O O 7.768 -3.080 -1.208 1.00 . A A . 11 GLN O 1 1 19 7600 1 1 11 GLN OE1 O 6.306 1.906 -5.130 1.00 . A A . 11 GLN OE1 1 1 19 7601 1 1 12 GLN C C 7.147 -3.255 2.158 1.00 . A A . 12 GLN C 1 1 19 7602 1 1 12 GLN CA C 7.992 -2.195 1.439 1.00 . A A . 12 GLN CA 1 1 19 7603 1 1 12 GLN CB C 8.487 -1.104 2.397 1.00 . A A . 12 GLN CB 1 1 19 7604 1 1 12 GLN CD C 9.508 1.207 2.409 1.00 . A A . 12 GLN CD 1 1 19 7605 1 1 12 GLN CG C 9.431 -0.127 1.679 1.00 . A A . 12 GLN CG 1 1 19 7606 1 1 12 GLN H H 6.649 -0.775 0.620 1.00 . A A . 12 GLN H 1 1 19 7607 1 1 12 GLN HA H 8.870 -2.690 1.022 1.00 . A A . 12 GLN HA 1 1 19 7608 1 1 12 GLN HB3 H 9.025 -1.564 3.228 1.00 . A A . 12 GLN HB3 1 1 19 7609 1 1 12 GLN HE21 H 8.085 2.012 1.192 1.00 . A A . 12 GLN HE21 1 1 19 7610 1 1 12 GLN HE22 H 8.685 3.054 2.478 1.00 . A A . 12 GLN HE22 1 1 19 7611 1 1 12 GLN HG3 H 9.096 0.065 0.661 1.00 . A A . 12 GLN HG3 1 1 19 7612 1 1 12 GLN N N 7.213 -1.583 0.374 1.00 . A A . 12 GLN N 1 1 19 7613 1 1 12 GLN NE2 N 8.711 2.180 1.976 1.00 . A A . 12 GLN NE2 1 1 19 7614 1 1 12 GLN O O 7.633 -4.352 2.421 1.00 . A A . 12 GLN O 1 1 19 7615 1 1 12 GLN OE1 O 10.279 1.367 3.349 1.00 . A A . 12 GLN OE1 1 1 19 7616 1 1 13 TYR C C 4.654 -5.133 2.312 1.00 . A A . 13 TYR C 1 1 19 7617 1 1 13 TYR CA C 5.001 -3.893 3.161 1.00 . A A . 13 TYR CA 1 1 19 7618 1 1 13 TYR CB C 3.697 -3.206 3.596 1.00 . A A . 13 TYR CB 1 1 19 7619 1 1 13 TYR CD1 C 3.791 -2.591 6.053 1.00 . A A . 13 TYR CD1 1 1 19 7620 1 1 13 TYR CD2 C 3.659 -0.804 4.417 1.00 . A A . 13 TYR CD2 1 1 19 7621 1 1 13 TYR CE1 C 3.567 -1.657 7.083 1.00 . A A . 13 TYR CE1 1 1 19 7622 1 1 13 TYR CE2 C 3.432 0.127 5.442 1.00 . A A . 13 TYR CE2 1 1 19 7623 1 1 13 TYR CG C 3.802 -2.173 4.708 1.00 . A A . 13 TYR CG 1 1 19 7624 1 1 13 TYR CZ C 3.344 -0.304 6.772 1.00 . A A . 13 TYR CZ 1 1 19 7625 1 1 13 TYR H H 5.532 -2.028 2.215 1.00 . A A . 13 TYR H 1 1 19 7626 1 1 13 TYR HA H 5.506 -4.247 4.062 1.00 . A A . 13 TYR HA 1 1 19 7627 1 1 13 TYR HB3 H 3.015 -3.980 3.950 1.00 . A A . 13 TYR HB3 1 1 19 7628 1 1 13 TYR HD1 H 3.878 -3.640 6.295 1.00 . A A . 13 TYR HD1 1 1 19 7629 1 1 13 TYR HD2 H 3.638 -0.457 3.405 1.00 . A A . 13 TYR HD2 1 1 19 7630 1 1 13 TYR HE1 H 3.498 -1.989 8.108 1.00 . A A . 13 TYR HE1 1 1 19 7631 1 1 13 TYR HE2 H 3.288 1.167 5.190 1.00 . A A . 13 TYR HE2 1 1 19 7632 1 1 13 TYR HH H 2.622 1.395 7.374 1.00 . A A . 13 TYR HH 1 1 19 7633 1 1 13 TYR N N 5.884 -2.945 2.474 1.00 . A A . 13 TYR N 1 1 19 7634 1 1 13 TYR O O 4.329 -6.180 2.865 1.00 . A A . 13 TYR O 1 1 19 7635 1 1 13 TYR OH O 2.966 0.570 7.746 1.00 . A A . 13 TYR OH 1 1 19 7636 1 1 14 CYS C C 4.926 -5.977 -1.221 1.00 . A A . 14 CYS C 1 1 19 7637 1 1 14 CYS CA C 4.066 -5.950 0.034 1.00 . A A . 14 CYS CA 1 1 19 7638 1 1 14 CYS CB C 2.646 -5.501 -0.359 1.00 . A A . 14 CYS CB 1 1 19 7639 1 1 14 CYS H H 4.995 -4.140 0.592 1.00 . A A . 14 CYS H 1 1 19 7640 1 1 14 CYS HA H 4.021 -6.951 0.467 1.00 . A A . 14 CYS HA 1 1 19 7641 1 1 14 CYS HB3 H 2.356 -5.934 -1.319 1.00 . A A . 14 CYS HB3 1 1 19 7642 1 1 14 CYS N N 4.651 -5.007 0.982 1.00 . A A . 14 CYS N 1 1 19 7643 1 1 14 CYS O O 5.296 -4.929 -1.742 1.00 . A A . 14 CYS O 1 1 19 7644 1 1 14 CYS SG S 1.349 -5.955 0.819 1.00 . A A . 14 CYS SG 1 1 19 7645 1 1 15 LEU C C 5.165 -6.803 -4.192 1.00 . A A . 15 LEU C 1 1 19 7646 1 1 15 LEU CA C 5.952 -7.335 -2.985 1.00 . A A . 15 LEU CA 1 1 19 7647 1 1 15 LEU CB C 6.344 -8.815 -3.163 1.00 . A A . 15 LEU CB 1 1 19 7648 1 1 15 LEU CD1 C 8.122 -8.365 -4.959 1.00 . A A . 15 LEU CD1 1 1 19 7649 1 1 15 LEU CD2 C 8.820 -8.682 -2.564 1.00 . A A . 15 LEU CD2 1 1 19 7650 1 1 15 LEU CG C 7.790 -9.062 -3.637 1.00 . A A . 15 LEU CG 1 1 19 7651 1 1 15 LEU H H 4.872 -8.002 -1.270 1.00 . A A . 15 LEU H 1 1 19 7652 1 1 15 LEU HA H 6.853 -6.730 -2.889 1.00 . A A . 15 LEU HA 1 1 19 7653 1 1 15 LEU HB3 H 5.659 -9.282 -3.872 1.00 . A A . 15 LEU HB3 1 1 19 7654 1 1 15 LEU HD11 H 8.164 -7.284 -4.826 1.00 . A A . 15 LEU HD11 1 1 19 7655 1 1 15 LEU HD12 H 9.095 -8.706 -5.314 1.00 . A A . 15 LEU HD12 1 1 19 7656 1 1 15 LEU HD13 H 7.369 -8.613 -5.709 1.00 . A A . 15 LEU HD13 1 1 19 7657 1 1 15 LEU HD21 H 9.813 -8.991 -2.890 1.00 . A A . 15 LEU HD21 1 1 19 7658 1 1 15 LEU HD22 H 8.834 -7.607 -2.391 1.00 . A A . 15 LEU HD22 1 1 19 7659 1 1 15 LEU HD23 H 8.586 -9.189 -1.627 1.00 . A A . 15 LEU HD23 1 1 19 7660 1 1 15 LEU HG H 7.885 -10.136 -3.803 1.00 . A A . 15 LEU HG 1 1 19 7661 1 1 15 LEU N N 5.190 -7.174 -1.751 1.00 . A A . 15 LEU N 1 1 19 7662 1 1 15 LEU O O 5.749 -6.463 -5.218 1.00 . A A . 15 LEU O 1 1 19 7663 1 1 16 THR C C 1.744 -5.537 -4.655 1.00 . A A . 16 THR C 1 1 19 7664 1 1 16 THR CA C 3.007 -6.216 -5.193 1.00 . A A . 16 THR CA 1 1 19 7665 1 1 16 THR CB C 2.690 -7.316 -6.218 1.00 . A A . 16 THR CB 1 1 19 7666 1 1 16 THR CG2 C 2.184 -6.696 -7.522 1.00 . A A . 16 THR CG2 1 1 19 7667 1 1 16 THR H H 3.376 -7.079 -3.274 1.00 . A A . 16 THR H 1 1 19 7668 1 1 16 THR HA H 3.571 -5.447 -5.724 1.00 . A A . 16 THR HA 1 1 19 7669 1 1 16 THR HB H 1.930 -7.992 -5.817 1.00 . A A . 16 THR HB 1 1 19 7670 1 1 16 THR HG1 H 4.623 -7.481 -6.427 1.00 . A A . 16 THR HG1 1 1 19 7671 1 1 16 THR HG21 H 1.921 -7.488 -8.223 1.00 . A A . 16 THR HG21 1 1 19 7672 1 1 16 THR HG22 H 1.306 -6.079 -7.331 1.00 . A A . 16 THR HG22 1 1 19 7673 1 1 16 THR HG23 H 2.962 -6.073 -7.963 1.00 . A A . 16 THR HG23 1 1 19 7674 1 1 16 THR N N 3.830 -6.749 -4.110 1.00 . A A . 16 THR N 1 1 19 7675 1 1 16 THR O O 0.659 -6.127 -4.648 1.00 . A A . 16 THR O 1 1 19 7676 1 1 16 THR OG1 O 3.855 -8.063 -6.510 1.00 . A A . 16 THR OG1 1 1 19 7677 1 1 17 PRO C C -0.231 -3.186 -4.894 1.00 . A A . 17 PRO C 1 1 19 7678 1 1 17 PRO CA C 0.743 -3.507 -3.760 1.00 . A A . 17 PRO CA 1 1 19 7679 1 1 17 PRO CB C 1.316 -2.282 -3.052 1.00 . A A . 17 PRO CB 1 1 19 7680 1 1 17 PRO CD C 3.048 -3.727 -3.579 1.00 . A A . 17 PRO CD 1 1 19 7681 1 1 17 PRO CG C 2.804 -2.272 -3.335 1.00 . A A . 17 PRO CG 1 1 19 7682 1 1 17 PRO HA H 0.287 -4.111 -2.986 1.00 . A A . 17 PRO HA 1 1 19 7683 1 1 17 PRO HB3 H 1.090 -2.400 -2.002 1.00 . A A . 17 PRO HB3 1 1 19 7684 1 1 17 PRO HD3 H 3.028 -4.063 -2.569 1.00 . A A . 17 PRO HD3 1 1 19 7685 1 1 17 PRO HG3 H 3.405 -1.953 -2.503 1.00 . A A . 17 PRO HG3 1 1 19 7686 1 1 17 PRO N N 1.869 -4.287 -4.189 1.00 . A A . 17 PRO N 1 1 19 7687 1 1 17 PRO O O 0.097 -3.303 -6.074 1.00 . A A . 17 PRO O 1 1 19 7688 1 1 18 ASP C C -2.370 -0.716 -5.259 1.00 . A A . 18 ASP C 1 1 19 7689 1 1 18 ASP CA C -2.470 -2.232 -5.361 1.00 . A A . 18 ASP CA 1 1 19 7690 1 1 18 ASP CB C -3.860 -2.711 -4.922 1.00 . A A . 18 ASP CB 1 1 19 7691 1 1 18 ASP CG C -4.893 -2.433 -6.006 1.00 . A A . 18 ASP CG 1 1 19 7692 1 1 18 ASP H H -1.591 -2.696 -3.513 1.00 . A A . 18 ASP H 1 1 19 7693 1 1 18 ASP HA H -2.292 -2.536 -6.392 1.00 . A A . 18 ASP HA 1 1 19 7694 1 1 18 ASP HB3 H -4.161 -2.200 -4.015 1.00 . A A . 18 ASP HB3 1 1 19 7695 1 1 18 ASP N N -1.442 -2.789 -4.505 1.00 . A A . 18 ASP N 1 1 19 7696 1 1 18 ASP O O -2.112 -0.048 -6.258 1.00 . A A . 18 ASP O 1 1 19 7697 1 1 18 ASP OD1 O -4.739 -3.029 -7.093 1.00 . A A . 18 ASP OD1 1 1 19 7698 1 1 18 ASP OD2 O -5.813 -1.630 -5.749 1.00 . A A . 18 ASP OD2 1 1 19 7699 1 1 19 ARG C C -2.281 1.580 -2.384 1.00 . A A . 19 ARG C 1 1 19 7700 1 1 19 ARG CA C -2.567 1.256 -3.845 1.00 . A A . 19 ARG CA 1 1 19 7701 1 1 19 ARG CB C -3.950 1.794 -4.226 1.00 . A A . 19 ARG CB 1 1 19 7702 1 1 19 ARG CD C -6.464 1.408 -4.324 1.00 . A A . 19 ARG CD 1 1 19 7703 1 1 19 ARG CG C -5.117 0.920 -3.793 1.00 . A A . 19 ARG CG 1 1 19 7704 1 1 19 ARG CZ C -8.482 -0.081 -4.113 1.00 . A A . 19 ARG CZ 1 1 19 7705 1 1 19 ARG H H -2.866 -0.715 -3.247 1.00 . A A . 19 ARG H 1 1 19 7706 1 1 19 ARG HA H -1.805 1.733 -4.465 1.00 . A A . 19 ARG HA 1 1 19 7707 1 1 19 ARG HB3 H -4.003 2.028 -5.290 1.00 . A A . 19 ARG HB3 1 1 19 7708 1 1 19 ARG HD3 H -6.510 1.203 -5.396 1.00 . A A . 19 ARG HD3 1 1 19 7709 1 1 19 ARG HE H -7.682 1.070 -2.647 1.00 . A A . 19 ARG HE 1 1 19 7710 1 1 19 ARG HG3 H -5.054 0.858 -2.719 1.00 . A A . 19 ARG HG3 1 1 19 7711 1 1 19 ARG HH11 H -7.240 -0.863 -5.520 1.00 . A A . 19 ARG HH11 1 1 19 7712 1 1 19 ARG HH12 H -8.888 -1.372 -5.669 1.00 . A A . 19 ARG HH12 1 1 19 7713 1 1 19 ARG HH21 H -9.854 0.193 -2.597 1.00 . A A . 19 ARG HH21 1 1 19 7714 1 1 19 ARG HH22 H -10.348 -0.889 -3.862 1.00 . A A . 19 ARG HH22 1 1 19 7715 1 1 19 ARG N N -2.556 -0.172 -4.049 1.00 . A A . 19 ARG N 1 1 19 7716 1 1 19 ARG NE N -7.577 0.772 -3.602 1.00 . A A . 19 ARG NE 1 1 19 7717 1 1 19 ARG NH1 N -8.223 -0.754 -5.235 1.00 . A A . 19 ARG NH1 1 1 19 7718 1 1 19 ARG NH2 N -9.655 -0.260 -3.490 1.00 . A A . 19 ARG NH2 1 1 19 7719 1 1 19 ARG O O -2.708 0.853 -1.494 1.00 . A A . 19 ARG O 1 1 19 7720 1 1 20 CYS C C -3.086 4.309 -1.083 1.00 . A A . 20 CYS C 1 1 19 7721 1 1 20 CYS CA C -1.852 3.440 -0.879 1.00 . A A . 20 CYS CA 1 1 19 7722 1 1 20 CYS CB C -0.640 4.297 -0.523 1.00 . A A . 20 CYS CB 1 1 19 7723 1 1 20 CYS H H -1.431 3.294 -2.944 1.00 . A A . 20 CYS H 1 1 19 7724 1 1 20 CYS HA H -2.015 2.745 -0.060 1.00 . A A . 20 CYS HA 1 1 19 7725 1 1 20 CYS HB3 H -0.462 5.007 -1.329 1.00 . A A . 20 CYS HB3 1 1 19 7726 1 1 20 CYS N N -1.660 2.733 -2.138 1.00 . A A . 20 CYS N 1 1 19 7727 1 1 20 CYS O O -3.077 5.179 -1.953 1.00 . A A . 20 CYS O 1 1 19 7728 1 1 20 CYS SG S -0.899 5.225 1.010 1.00 . A A . 20 CYS SG 1 1 19 7729 1 1 21 SER C C -6.372 4.393 0.545 1.00 . A A . 21 SER C 1 1 19 7730 1 1 21 SER CA C -5.479 4.615 -0.669 1.00 . A A . 21 SER CA 1 1 19 7731 1 1 21 SER CB C -6.063 3.962 -1.926 1.00 . A A . 21 SER CB 1 1 19 7732 1 1 21 SER H H -4.189 3.246 0.270 1.00 . A A . 21 SER H 1 1 19 7733 1 1 21 SER HA H -5.367 5.691 -0.821 1.00 . A A . 21 SER HA 1 1 19 7734 1 1 21 SER HB3 H -7.146 4.063 -1.901 1.00 . A A . 21 SER HB3 1 1 19 7735 1 1 21 SER HG H -4.658 4.921 -2.890 1.00 . A A . 21 SER HG 1 1 19 7736 1 1 21 SER N N -4.188 4.011 -0.400 1.00 . A A . 21 SER N 1 1 19 7737 1 1 21 SER O O -6.275 3.349 1.178 1.00 . A A . 21 SER O 1 1 19 7738 1 1 21 SER OG O -5.565 4.631 -3.067 1.00 . A A . 21 SER OG 1 1 19 7739 1 1 22 TYR C C -7.241 4.974 3.334 1.00 . A A . 22 TYR C 1 1 19 7740 1 1 22 TYR CA C -8.074 5.290 2.079 1.00 . A A . 22 TYR CA 1 1 19 7741 1 1 22 TYR CB C -9.220 4.309 1.826 1.00 . A A . 22 TYR CB 1 1 19 7742 1 1 22 TYR CD1 C -11.285 5.391 2.814 1.00 . A A . 22 TYR CD1 1 1 19 7743 1 1 22 TYR CD2 C -10.504 3.290 3.766 1.00 . A A . 22 TYR CD2 1 1 19 7744 1 1 22 TYR CE1 C -12.359 5.400 3.720 1.00 . A A . 22 TYR CE1 1 1 19 7745 1 1 22 TYR CE2 C -11.576 3.303 4.673 1.00 . A A . 22 TYR CE2 1 1 19 7746 1 1 22 TYR CG C -10.351 4.340 2.838 1.00 . A A . 22 TYR CG 1 1 19 7747 1 1 22 TYR CZ C -12.502 4.360 4.651 1.00 . A A . 22 TYR CZ 1 1 19 7748 1 1 22 TYR H H -7.260 6.204 0.333 1.00 . A A . 22 TYR H 1 1 19 7749 1 1 22 TYR HA H -8.550 6.247 2.219 1.00 . A A . 22 TYR HA 1 1 19 7750 1 1 22 TYR HB3 H -8.775 3.328 1.815 1.00 . A A . 22 TYR HB3 1 1 19 7751 1 1 22 TYR HD1 H -11.187 6.189 2.092 1.00 . A A . 22 TYR HD1 1 1 19 7752 1 1 22 TYR HD2 H -9.793 2.477 3.793 1.00 . A A . 22 TYR HD2 1 1 19 7753 1 1 22 TYR HE1 H -13.078 6.205 3.699 1.00 . A A . 22 TYR HE1 1 1 19 7754 1 1 22 TYR HE2 H -11.678 2.499 5.387 1.00 . A A . 22 TYR HE2 1 1 19 7755 1 1 22 TYR HH H -13.555 3.621 6.119 1.00 . A A . 22 TYR HH 1 1 19 7756 1 1 22 TYR N N -7.219 5.366 0.894 1.00 . A A . 22 TYR N 1 1 19 7757 1 1 22 TYR O O -7.602 4.129 4.148 1.00 . A A . 22 TYR O 1 1 19 7758 1 1 22 TYR OH O -13.551 4.374 5.523 1.00 . A A . 22 TYR OH 1 1 19 7759 1 1 23 GLY C C -4.639 3.963 4.693 1.00 . A A . 23 GLY C 1 1 19 7760 1 1 23 GLY CA C -5.122 5.413 4.538 1.00 . A A . 23 GLY CA 1 1 19 7761 1 1 23 GLY H H -5.830 6.294 2.740 1.00 . A A . 23 GLY H 1 1 19 7762 1 1 23 GLY HA2 H -4.254 6.045 4.350 1.00 . A A . 23 GLY HA2 1 1 19 7763 1 1 23 GLY HA3 H -5.590 5.732 5.470 1.00 . A A . 23 GLY HA3 1 1 19 7764 1 1 23 GLY N N -6.073 5.617 3.448 1.00 . A A . 23 GLY N 1 1 19 7765 1 1 23 GLY O O -4.018 3.619 5.701 1.00 . A A . 23 GLY O 1 1 19 7766 1 1 24 THR C C -3.707 1.379 2.572 1.00 . A A . 24 THR C 1 1 19 7767 1 1 24 THR CA C -4.682 1.688 3.701 1.00 . A A . 24 THR CA 1 1 19 7768 1 1 24 THR CB C -6.030 0.978 3.493 1.00 . A A . 24 THR CB 1 1 19 7769 1 1 24 THR CG2 C -5.908 -0.543 3.612 1.00 . A A . 24 THR CG2 1 1 19 7770 1 1 24 THR H H -5.351 3.477 2.863 1.00 . A A . 24 THR H 1 1 19 7771 1 1 24 THR HA H -4.269 1.386 4.658 1.00 . A A . 24 THR HA 1 1 19 7772 1 1 24 THR HB H -6.418 1.212 2.501 1.00 . A A . 24 THR HB 1 1 19 7773 1 1 24 THR HG1 H -7.102 2.376 4.352 1.00 . A A . 24 THR HG1 1 1 19 7774 1 1 24 THR HG21 H -6.889 -0.994 3.460 1.00 . A A . 24 THR HG21 1 1 19 7775 1 1 24 THR HG22 H -5.224 -0.936 2.859 1.00 . A A . 24 THR HG22 1 1 19 7776 1 1 24 THR HG23 H -5.547 -0.811 4.605 1.00 . A A . 24 THR HG23 1 1 19 7777 1 1 24 THR N N -4.909 3.120 3.694 1.00 . A A . 24 THR N 1 1 19 7778 1 1 24 THR O O -3.871 1.899 1.468 1.00 . A A . 24 THR O 1 1 19 7779 1 1 24 THR OG1 O -6.962 1.423 4.458 1.00 . A A . 24 THR OG1 1 1 19 7780 1 1 25 CYS C C -2.384 -1.250 1.254 1.00 . A A . 25 CYS C 1 1 19 7781 1 1 25 CYS CA C -1.807 0.076 1.773 1.00 . A A . 25 CYS CA 1 1 19 7782 1 1 25 CYS CB C -0.329 0.156 2.197 1.00 . A A . 25 CYS CB 1 1 19 7783 1 1 25 CYS H H -2.634 0.100 3.737 1.00 . A A . 25 CYS H 1 1 19 7784 1 1 25 CYS HA H -1.847 0.769 0.938 1.00 . A A . 25 CYS HA 1 1 19 7785 1 1 25 CYS HB3 H -0.234 0.768 3.091 1.00 . A A . 25 CYS HB3 1 1 19 7786 1 1 25 CYS N N -2.691 0.552 2.828 1.00 . A A . 25 CYS N 1 1 19 7787 1 1 25 CYS O O -2.128 -2.339 1.758 1.00 . A A . 25 CYS O 1 1 19 7788 1 1 25 CYS SG S 0.616 -1.339 2.453 1.00 . A A . 25 CYS SG 1 1 19 7789 1 1 26 TYR C C -2.906 -2.989 -1.213 1.00 . A A . 26 TYR C 1 1 19 7790 1 1 26 TYR CA C -3.942 -2.214 -0.414 1.00 . A A . 26 TYR CA 1 1 19 7791 1 1 26 TYR CB C -4.942 -1.620 -1.409 1.00 . A A . 26 TYR CB 1 1 19 7792 1 1 26 TYR CD1 C -6.361 0.240 -0.410 1.00 . A A . 26 TYR CD1 1 1 19 7793 1 1 26 TYR CD2 C -7.376 -1.923 -0.864 1.00 . A A . 26 TYR CD2 1 1 19 7794 1 1 26 TYR CE1 C -7.642 0.802 -0.263 1.00 . A A . 26 TYR CE1 1 1 19 7795 1 1 26 TYR CE2 C -8.652 -1.360 -0.706 1.00 . A A . 26 TYR CE2 1 1 19 7796 1 1 26 TYR CG C -6.233 -1.104 -0.810 1.00 . A A . 26 TYR CG 1 1 19 7797 1 1 26 TYR CZ C -8.785 0.013 -0.461 1.00 . A A . 26 TYR CZ 1 1 19 7798 1 1 26 TYR H H -3.377 -0.195 -0.133 1.00 . A A . 26 TYR H 1 1 19 7799 1 1 26 TYR HA H -4.450 -2.866 0.298 1.00 . A A . 26 TYR HA 1 1 19 7800 1 1 26 TYR HB3 H -5.231 -2.382 -2.125 1.00 . A A . 26 TYR HB3 1 1 19 7801 1 1 26 TYR HD1 H -5.488 0.871 -0.344 1.00 . A A . 26 TYR HD1 1 1 19 7802 1 1 26 TYR HD2 H -7.288 -2.961 -1.151 1.00 . A A . 26 TYR HD2 1 1 19 7803 1 1 26 TYR HE1 H -7.748 1.863 -0.112 1.00 . A A . 26 TYR HE1 1 1 19 7804 1 1 26 TYR HE2 H -9.527 -1.967 -0.879 1.00 . A A . 26 TYR HE2 1 1 19 7805 1 1 26 TYR HH H -10.087 1.457 -0.409 1.00 . A A . 26 TYR HH 1 1 19 7806 1 1 26 TYR N N -3.284 -1.120 0.279 1.00 . A A . 26 TYR N 1 1 19 7807 1 1 26 TYR O O -2.072 -2.354 -1.858 1.00 . A A . 26 TYR O 1 1 19 7808 1 1 26 TYR OH O -9.935 0.626 -0.871 1.00 . A A . 26 TYR OH 1 1 19 7809 1 1 27 CYS C C -2.911 -6.205 -2.823 1.00 . A A . 27 CYS C 1 1 19 7810 1 1 27 CYS CA C -2.124 -5.208 -1.992 1.00 . A A . 27 CYS CA 1 1 19 7811 1 1 27 CYS CB C -1.100 -5.925 -1.099 1.00 . A A . 27 CYS CB 1 1 19 7812 1 1 27 CYS H H -3.729 -4.781 -0.707 1.00 . A A . 27 CYS H 1 1 19 7813 1 1 27 CYS HA H -1.618 -4.596 -2.713 1.00 . A A . 27 CYS HA 1 1 19 7814 1 1 27 CYS HB3 H -0.318 -6.306 -1.745 1.00 . A A . 27 CYS HB3 1 1 19 7815 1 1 27 CYS N N -2.997 -4.329 -1.227 1.00 . A A . 27 CYS N 1 1 19 7816 1 1 27 CYS O O -3.981 -6.644 -2.398 1.00 . A A . 27 CYS O 1 1 19 7817 1 1 27 CYS SG S -0.307 -4.895 0.148 1.00 . A A . 27 CYS SG 1 1 19 7818 1 1 28 LYS C C -3.588 -8.692 -4.326 1.00 . A A . 28 LYS C 1 1 19 7819 1 1 28 LYS CA C -3.066 -7.404 -4.969 1.00 . A A . 28 LYS CA 1 1 19 7820 1 1 28 LYS CB C -2.145 -7.733 -6.155 1.00 . A A . 28 LYS CB 1 1 19 7821 1 1 28 LYS CD C -2.806 -5.734 -7.626 1.00 . A A . 28 LYS CD 1 1 19 7822 1 1 28 LYS CE C -2.217 -4.676 -8.575 1.00 . A A . 28 LYS CE 1 1 19 7823 1 1 28 LYS CG C -1.666 -6.516 -6.962 1.00 . A A . 28 LYS CG 1 1 19 7824 1 1 28 LYS H H -1.443 -6.230 -4.239 1.00 . A A . 28 LYS H 1 1 19 7825 1 1 28 LYS HA H -3.934 -6.855 -5.335 1.00 . A A . 28 LYS HA 1 1 19 7826 1 1 28 LYS HB3 H -2.680 -8.403 -6.831 1.00 . A A . 28 LYS HB3 1 1 19 7827 1 1 28 LYS HD3 H -3.393 -5.236 -6.852 1.00 . A A . 28 LYS HD3 1 1 19 7828 1 1 28 LYS HE3 H -1.700 -5.170 -9.401 1.00 . A A . 28 LYS HE3 1 1 19 7829 1 1 28 LYS HG3 H -0.995 -6.888 -7.737 1.00 . A A . 28 LYS HG3 1 1 19 7830 1 1 28 LYS HZ1 H -2.856 -3.042 -9.663 1.00 . A A . 28 LYS HZ1 1 1 19 7831 1 1 28 LYS HZ2 H -3.933 -4.296 -9.667 1.00 . A A . 28 LYS HZ2 1 1 19 7832 1 1 28 LYS HZ3 H -3.770 -3.362 -8.341 1.00 . A A . 28 LYS HZ3 1 1 19 7833 1 1 28 LYS N N -2.369 -6.570 -3.995 1.00 . A A . 28 LYS N 1 1 19 7834 1 1 28 LYS NZ N -3.262 -3.785 -9.116 1.00 . A A . 28 LYS NZ 1 1 19 7835 1 1 28 LYS O O -4.706 -9.115 -4.605 1.00 . A A . 28 LYS O 1 1 19 7836 1 1 29 THR C C -3.027 -10.106 -1.168 1.00 . A A . 29 THR C 1 1 19 7837 1 1 29 THR CA C -3.160 -10.455 -2.657 1.00 . A A . 29 THR CA 1 1 19 7838 1 1 29 THR CB C -2.376 -11.691 -3.141 1.00 . A A . 29 THR CB 1 1 19 7839 1 1 29 THR CG2 C -0.854 -11.572 -2.986 1.00 . A A . 29 THR CG2 1 1 19 7840 1 1 29 THR H H -1.876 -8.882 -3.276 1.00 . A A . 29 THR H 1 1 19 7841 1 1 29 THR HA H -4.215 -10.684 -2.813 1.00 . A A . 29 THR HA 1 1 19 7842 1 1 29 THR HB H -2.587 -11.809 -4.206 1.00 . A A . 29 THR HB 1 1 19 7843 1 1 29 THR HG1 H -2.339 -13.614 -2.812 1.00 . A A . 29 THR HG1 1 1 19 7844 1 1 29 THR HG21 H -0.571 -11.511 -1.936 1.00 . A A . 29 THR HG21 1 1 19 7845 1 1 29 THR HG22 H -0.377 -12.452 -3.420 1.00 . A A . 29 THR HG22 1 1 19 7846 1 1 29 THR HG23 H -0.486 -10.690 -3.508 1.00 . A A . 29 THR HG23 1 1 19 7847 1 1 29 THR N N -2.778 -9.297 -3.452 1.00 . A A . 29 THR N 1 1 19 7848 1 1 29 THR O O -2.386 -10.808 -0.392 1.00 . A A . 29 THR O 1 1 19 7849 1 1 29 THR OG1 O -2.844 -12.860 -2.501 1.00 . A A . 29 THR OG1 1 1 19 7850 1 1 30 THR C C -4.322 -9.715 1.519 1.00 . A A . 30 THR C 1 1 19 7851 1 1 30 THR CA C -3.705 -8.606 0.653 1.00 . A A . 30 THR CA 1 1 19 7852 1 1 30 THR CB C -4.426 -7.255 0.800 1.00 . A A . 30 THR CB 1 1 19 7853 1 1 30 THR CG2 C -5.878 -7.262 0.307 1.00 . A A . 30 THR CG2 1 1 19 7854 1 1 30 THR H H -4.079 -8.383 -1.445 1.00 . A A . 30 THR H 1 1 19 7855 1 1 30 THR HA H -2.679 -8.467 0.995 1.00 . A A . 30 THR HA 1 1 19 7856 1 1 30 THR HB H -3.873 -6.525 0.217 1.00 . A A . 30 THR HB 1 1 19 7857 1 1 30 THR HG1 H -3.516 -6.809 2.472 1.00 . A A . 30 THR HG1 1 1 19 7858 1 1 30 THR HG21 H -6.279 -6.249 0.374 1.00 . A A . 30 THR HG21 1 1 19 7859 1 1 30 THR HG22 H -5.939 -7.588 -0.732 1.00 . A A . 30 THR HG22 1 1 19 7860 1 1 30 THR HG23 H -6.490 -7.914 0.930 1.00 . A A . 30 THR HG23 1 1 19 7861 1 1 30 THR N N -3.650 -8.995 -0.755 1.00 . A A . 30 THR N 1 1 19 7862 1 1 30 THR O O -3.870 -9.963 2.633 1.00 . A A . 30 THR O 1 1 19 7863 1 1 30 THR OG1 O -4.419 -6.809 2.139 1.00 . A A . 30 THR OG1 1 1 19 7864 1 1 31 NH2 HN1 H -5.694 -10.180 0.091 1.00 . A A . 31 NH2 HN1 1 1 19 7865 1 1 31 NH2 HN2 H -5.759 -11.139 1.561 1.00 . A A . 31 NH2 HN2 1 1 19 7866 1 1 31 NH2 N N -5.351 -10.398 1.013 1.00 . A A . 31 NH2 N 1 1 20 7867 1 1 1 PCA C C 0.109 7.976 8.267 1.00 . A A . 1 PCA C 1 1 20 7868 1 1 1 PCA CA C 1.058 8.703 7.314 1.00 . A A . 1 PCA CA 1 1 20 7869 1 1 1 PCA CB C 2.057 9.610 8.046 1.00 . A A . 1 PCA CB 1 1 20 7870 1 1 1 PCA CD C 0.320 10.851 6.953 1.00 . A A . 1 PCA CD 1 1 20 7871 1 1 1 PCA CG C 1.281 10.925 8.129 1.00 . A A . 1 PCA CG 1 1 20 7872 1 1 1 PCA HA H 1.595 7.973 6.708 1.00 . A A . 1 PCA HA 1 1 20 7873 1 1 1 PCA HB2 H 2.930 9.757 7.409 1.00 . A A . 1 PCA HB2 1 1 20 7874 1 1 1 PCA HB3 H 2.372 9.236 9.021 1.00 . A A . 1 PCA HB3 1 1 20 7875 1 1 1 PCA HG2 H 0.710 10.971 9.056 1.00 . A A . 1 PCA HG2 1 1 20 7876 1 1 1 PCA HG3 H 1.948 11.783 8.053 1.00 . A A . 1 PCA HG3 1 1 20 7877 1 1 1 PCA N N 0.285 9.606 6.483 1.00 . A A . 1 PCA N 1 1 20 7878 1 1 1 PCA O O 0.132 8.208 9.471 1.00 . A A . 1 PCA O 1 1 20 7879 1 1 1 PCA OE O -0.189 11.846 6.466 1.00 . A A . 1 PCA OE 1 1 20 7880 1 1 2 THR C C -0.977 4.870 8.544 1.00 . A A . 2 THR C 1 1 20 7881 1 1 2 THR CA C -1.638 6.246 8.458 1.00 . A A . 2 THR CA 1 1 20 7882 1 1 2 THR CB C -3.032 6.326 7.820 1.00 . A A . 2 THR CB 1 1 20 7883 1 1 2 THR CG2 C -4.111 5.618 8.654 1.00 . A A . 2 THR CG2 1 1 20 7884 1 1 2 THR H H -0.709 7.008 6.697 1.00 . A A . 2 THR H 1 1 20 7885 1 1 2 THR HA H -1.755 6.564 9.482 1.00 . A A . 2 THR HA 1 1 20 7886 1 1 2 THR HB H -2.975 5.924 6.814 1.00 . A A . 2 THR HB 1 1 20 7887 1 1 2 THR HG1 H -4.266 7.745 7.284 1.00 . A A . 2 THR HG1 1 1 20 7888 1 1 2 THR HG21 H -4.174 6.084 9.638 1.00 . A A . 2 THR HG21 1 1 20 7889 1 1 2 THR HG22 H -5.077 5.708 8.159 1.00 . A A . 2 THR HG22 1 1 20 7890 1 1 2 THR HG23 H -3.887 4.559 8.781 1.00 . A A . 2 THR HG23 1 1 20 7891 1 1 2 THR N N -0.733 7.108 7.706 1.00 . A A . 2 THR N 1 1 20 7892 1 1 2 THR O O 0.077 4.739 9.161 1.00 . A A . 2 THR O 1 1 20 7893 1 1 2 THR OG1 O -3.405 7.684 7.704 1.00 . A A . 2 THR OG1 1 1 20 7894 1 1 3 GLN C C 0.472 3.085 6.684 1.00 . A A . 3 GLN C 1 1 20 7895 1 1 3 GLN CA C -0.714 2.672 7.559 1.00 . A A . 3 GLN CA 1 1 20 7896 1 1 3 GLN CB C -1.532 1.631 6.792 1.00 . A A . 3 GLN CB 1 1 20 7897 1 1 3 GLN CD C -3.366 -0.073 6.945 1.00 . A A . 3 GLN CD 1 1 20 7898 1 1 3 GLN CG C -2.665 1.037 7.625 1.00 . A A . 3 GLN CG 1 1 20 7899 1 1 3 GLN H H -2.401 4.010 7.401 1.00 . A A . 3 GLN H 1 1 20 7900 1 1 3 GLN HA H -0.337 2.222 8.480 1.00 . A A . 3 GLN HA 1 1 20 7901 1 1 3 GLN HB3 H -0.859 0.820 6.504 1.00 . A A . 3 GLN HB3 1 1 20 7902 1 1 3 GLN HE21 H -4.535 -0.163 8.612 1.00 . A A . 3 GLN HE21 1 1 20 7903 1 1 3 GLN HE22 H -4.652 -1.425 7.439 1.00 . A A . 3 GLN HE22 1 1 20 7904 1 1 3 GLN HG3 H -3.481 1.714 7.843 1.00 . A A . 3 GLN HG3 1 1 20 7905 1 1 3 GLN N N -1.518 3.855 7.869 1.00 . A A . 3 GLN N 1 1 20 7906 1 1 3 GLN NE2 N -4.313 -0.560 7.712 1.00 . A A . 3 GLN NE2 1 1 20 7907 1 1 3 GLN O O 1.557 2.513 6.762 1.00 . A A . 3 GLN O 1 1 20 7908 1 1 3 GLN OE1 O -3.063 -0.496 5.831 1.00 . A A . 3 GLN OE1 1 1 20 7909 1 1 4 CYS C C 0.845 6.039 4.596 1.00 . A A . 4 CYS C 1 1 20 7910 1 1 4 CYS CA C 1.127 4.563 4.812 1.00 . A A . 4 CYS CA 1 1 20 7911 1 1 4 CYS CB C 0.902 3.820 3.495 1.00 . A A . 4 CYS CB 1 1 20 7912 1 1 4 CYS H H -0.698 4.491 5.810 1.00 . A A . 4 CYS H 1 1 20 7913 1 1 4 CYS HA H 2.160 4.438 5.141 1.00 . A A . 4 CYS HA 1 1 20 7914 1 1 4 CYS HB3 H 1.262 2.806 3.603 1.00 . A A . 4 CYS HB3 1 1 20 7915 1 1 4 CYS N N 0.216 4.061 5.812 1.00 . A A . 4 CYS N 1 1 20 7916 1 1 4 CYS O O -0.223 6.537 4.958 1.00 . A A . 4 CYS O 1 1 20 7917 1 1 4 CYS SG S -0.810 3.789 2.897 1.00 . A A . 4 CYS SG 1 1 20 7918 1 1 5 GLN C C 1.555 7.910 1.909 1.00 . A A . 5 GLN C 1 1 20 7919 1 1 5 GLN CA C 1.738 8.037 3.425 1.00 . A A . 5 GLN CA 1 1 20 7920 1 1 5 GLN CB C 3.027 8.795 3.759 1.00 . A A . 5 GLN CB 1 1 20 7921 1 1 5 GLN CD C 4.072 11.106 3.690 1.00 . A A . 5 GLN CD 1 1 20 7922 1 1 5 GLN CG C 2.775 10.305 3.707 1.00 . A A . 5 GLN CG 1 1 20 7923 1 1 5 GLN H H 2.679 6.197 3.778 1.00 . A A . 5 GLN H 1 1 20 7924 1 1 5 GLN HA H 0.895 8.591 3.841 1.00 . A A . 5 GLN HA 1 1 20 7925 1 1 5 GLN HB3 H 3.812 8.518 3.053 1.00 . A A . 5 GLN HB3 1 1 20 7926 1 1 5 GLN HE21 H 4.856 10.031 5.233 1.00 . A A . 5 GLN HE21 1 1 20 7927 1 1 5 GLN HE22 H 5.867 11.309 4.583 1.00 . A A . 5 GLN HE22 1 1 20 7928 1 1 5 GLN HG3 H 2.186 10.607 4.573 1.00 . A A . 5 GLN HG3 1 1 20 7929 1 1 5 GLN N N 1.823 6.710 3.996 1.00 . A A . 5 GLN N 1 1 20 7930 1 1 5 GLN NE2 N 5.001 10.793 4.591 1.00 . A A . 5 GLN NE2 1 1 20 7931 1 1 5 GLN O O 0.804 8.679 1.313 1.00 . A A . 5 GLN O 1 1 20 7932 1 1 5 GLN OE1 O 4.246 12.003 2.873 1.00 . A A . 5 GLN OE1 1 1 20 7933 1 1 6 SER C C 2.504 5.321 -0.540 1.00 . A A . 6 SER C 1 1 20 7934 1 1 6 SER CA C 2.146 6.744 -0.167 1.00 . A A . 6 SER CA 1 1 20 7935 1 1 6 SER CB C 3.014 7.730 -0.960 1.00 . A A . 6 SER CB 1 1 20 7936 1 1 6 SER H H 2.818 6.296 1.816 1.00 . A A . 6 SER H 1 1 20 7937 1 1 6 SER HA H 1.109 6.892 -0.474 1.00 . A A . 6 SER HA 1 1 20 7938 1 1 6 SER HB3 H 2.397 8.598 -1.155 1.00 . A A . 6 SER HB3 1 1 20 7939 1 1 6 SER HG H 4.028 8.172 0.652 1.00 . A A . 6 SER HG 1 1 20 7940 1 1 6 SER N N 2.245 6.956 1.272 1.00 . A A . 6 SER N 1 1 20 7941 1 1 6 SER O O 2.925 4.523 0.282 1.00 . A A . 6 SER O 1 1 20 7942 1 1 6 SER OG O 4.214 8.045 -0.283 1.00 . A A . 6 SER OG 1 1 20 7943 1 1 7 VAL C C 3.819 3.019 -1.909 1.00 . A A . 7 VAL C 1 1 20 7944 1 1 7 VAL CA C 2.486 3.657 -2.331 1.00 . A A . 7 VAL CA 1 1 20 7945 1 1 7 VAL CB C 2.248 3.709 -3.847 1.00 . A A . 7 VAL CB 1 1 20 7946 1 1 7 VAL CG1 C 3.394 4.349 -4.636 1.00 . A A . 7 VAL CG1 1 1 20 7947 1 1 7 VAL CG2 C 1.976 2.305 -4.356 1.00 . A A . 7 VAL CG2 1 1 20 7948 1 1 7 VAL H H 1.983 5.715 -2.443 1.00 . A A . 7 VAL H 1 1 20 7949 1 1 7 VAL HA H 1.700 3.046 -1.877 1.00 . A A . 7 VAL HA 1 1 20 7950 1 1 7 VAL HB H 1.344 4.294 -4.031 1.00 . A A . 7 VAL HB 1 1 20 7951 1 1 7 VAL HG11 H 4.264 3.696 -4.620 1.00 . A A . 7 VAL HG11 1 1 20 7952 1 1 7 VAL HG12 H 3.085 4.487 -5.672 1.00 . A A . 7 VAL HG12 1 1 20 7953 1 1 7 VAL HG13 H 3.651 5.322 -4.216 1.00 . A A . 7 VAL HG13 1 1 20 7954 1 1 7 VAL HG21 H 1.123 1.911 -3.811 1.00 . A A . 7 VAL HG21 1 1 20 7955 1 1 7 VAL HG22 H 1.744 2.350 -5.419 1.00 . A A . 7 VAL HG22 1 1 20 7956 1 1 7 VAL HG23 H 2.852 1.685 -4.187 1.00 . A A . 7 VAL HG23 1 1 20 7957 1 1 7 VAL N N 2.324 5.001 -1.817 1.00 . A A . 7 VAL N 1 1 20 7958 1 1 7 VAL O O 3.851 1.832 -1.601 1.00 . A A . 7 VAL O 1 1 20 7959 1 1 8 ARG C C 6.130 2.638 -0.031 1.00 . A A . 8 ARG C 1 1 20 7960 1 1 8 ARG CA C 6.215 3.377 -1.372 1.00 . A A . 8 ARG CA 1 1 20 7961 1 1 8 ARG CB C 7.170 4.574 -1.249 1.00 . A A . 8 ARG CB 1 1 20 7962 1 1 8 ARG CD C 6.861 5.482 -3.623 1.00 . A A . 8 ARG CD 1 1 20 7963 1 1 8 ARG CG C 7.846 4.964 -2.572 1.00 . A A . 8 ARG CG 1 1 20 7964 1 1 8 ARG CZ C 7.730 5.405 -5.985 1.00 . A A . 8 ARG CZ 1 1 20 7965 1 1 8 ARG H H 4.770 4.777 -2.080 1.00 . A A . 8 ARG H 1 1 20 7966 1 1 8 ARG HA H 6.634 2.681 -2.095 1.00 . A A . 8 ARG HA 1 1 20 7967 1 1 8 ARG HB3 H 7.974 4.296 -0.563 1.00 . A A . 8 ARG HB3 1 1 20 7968 1 1 8 ARG HD3 H 6.281 6.295 -3.179 1.00 . A A . 8 ARG HD3 1 1 20 7969 1 1 8 ARG HE H 7.913 6.961 -4.693 1.00 . A A . 8 ARG HE 1 1 20 7970 1 1 8 ARG HG3 H 8.386 4.100 -2.966 1.00 . A A . 8 ARG HG3 1 1 20 7971 1 1 8 ARG HH11 H 6.982 3.570 -5.409 1.00 . A A . 8 ARG HH11 1 1 20 7972 1 1 8 ARG HH12 H 7.414 3.696 -7.079 1.00 . A A . 8 ARG HH12 1 1 20 7973 1 1 8 ARG HH21 H 8.599 7.033 -6.872 1.00 . A A . 8 ARG HH21 1 1 20 7974 1 1 8 ARG HH22 H 8.440 5.646 -7.896 1.00 . A A . 8 ARG HH22 1 1 20 7975 1 1 8 ARG N N 4.899 3.807 -1.846 1.00 . A A . 8 ARG N 1 1 20 7976 1 1 8 ARG NE N 7.562 6.018 -4.800 1.00 . A A . 8 ARG NE 1 1 20 7977 1 1 8 ARG NH1 N 7.341 4.141 -6.178 1.00 . A A . 8 ARG NH1 1 1 20 7978 1 1 8 ARG NH2 N 8.297 6.077 -6.996 1.00 . A A . 8 ARG NH2 1 1 20 7979 1 1 8 ARG O O 6.739 1.582 0.130 1.00 . A A . 8 ARG O 1 1 20 7980 1 1 9 ASP C C 4.616 1.134 1.970 1.00 . A A . 9 ASP C 1 1 20 7981 1 1 9 ASP CA C 5.137 2.543 2.206 1.00 . A A . 9 ASP CA 1 1 20 7982 1 1 9 ASP CB C 4.110 3.390 2.946 1.00 . A A . 9 ASP CB 1 1 20 7983 1 1 9 ASP CG C 4.653 4.742 3.360 1.00 . A A . 9 ASP CG 1 1 20 7984 1 1 9 ASP H H 4.772 3.976 0.743 1.00 . A A . 9 ASP H 1 1 20 7985 1 1 9 ASP HA H 6.060 2.501 2.778 1.00 . A A . 9 ASP HA 1 1 20 7986 1 1 9 ASP HB3 H 3.671 2.900 3.795 1.00 . A A . 9 ASP HB3 1 1 20 7987 1 1 9 ASP N N 5.359 3.170 0.921 1.00 . A A . 9 ASP N 1 1 20 7988 1 1 9 ASP O O 5.189 0.157 2.455 1.00 . A A . 9 ASP O 1 1 20 7989 1 1 9 ASP OD1 O 5.636 4.763 4.128 1.00 . A A . 9 ASP OD1 1 1 20 7990 1 1 9 ASP OD2 O 4.042 5.735 2.909 1.00 . A A . 9 ASP OD2 1 1 20 7991 1 1 10 CYS C C 4.219 -1.135 0.146 1.00 . A A . 10 CYS C 1 1 20 7992 1 1 10 CYS CA C 3.128 -0.347 0.853 1.00 . A A . 10 CYS CA 1 1 20 7993 1 1 10 CYS CB C 1.798 -0.506 0.109 1.00 . A A . 10 CYS CB 1 1 20 7994 1 1 10 CYS H H 3.177 1.802 0.678 1.00 . A A . 10 CYS H 1 1 20 7995 1 1 10 CYS HA H 3.009 -0.830 1.820 1.00 . A A . 10 CYS HA 1 1 20 7996 1 1 10 CYS HB3 H 2.089 -0.746 -0.876 1.00 . A A . 10 CYS HB3 1 1 20 7997 1 1 10 CYS N N 3.561 1.001 1.157 1.00 . A A . 10 CYS N 1 1 20 7998 1 1 10 CYS O O 4.354 -2.307 0.436 1.00 . A A . 10 CYS O 1 1 20 7999 1 1 10 CYS SG S 0.770 -1.839 0.793 1.00 . A A . 10 CYS SG 1 1 20 8000 1 1 11 GLN C C 7.030 -1.906 -0.426 1.00 . A A . 11 GLN C 1 1 20 8001 1 1 11 GLN CA C 6.052 -1.317 -1.451 1.00 . A A . 11 GLN CA 1 1 20 8002 1 1 11 GLN CB C 6.803 -0.464 -2.482 1.00 . A A . 11 GLN CB 1 1 20 8003 1 1 11 GLN CD C 6.703 0.872 -4.612 1.00 . A A . 11 GLN CD 1 1 20 8004 1 1 11 GLN CG C 5.919 -0.014 -3.650 1.00 . A A . 11 GLN CG 1 1 20 8005 1 1 11 GLN H H 4.848 0.419 -1.004 1.00 . A A . 11 GLN H 1 1 20 8006 1 1 11 GLN HA H 5.590 -2.153 -1.982 1.00 . A A . 11 GLN HA 1 1 20 8007 1 1 11 GLN HB3 H 7.619 -1.068 -2.885 1.00 . A A . 11 GLN HB3 1 1 20 8008 1 1 11 GLN HE21 H 7.768 -0.718 -5.284 1.00 . A A . 11 GLN HE21 1 1 20 8009 1 1 11 GLN HE22 H 8.179 0.821 -6.006 1.00 . A A . 11 GLN HE22 1 1 20 8010 1 1 11 GLN HG3 H 5.065 0.546 -3.282 1.00 . A A . 11 GLN HG3 1 1 20 8011 1 1 11 GLN N N 4.991 -0.560 -0.782 1.00 . A A . 11 GLN N 1 1 20 8012 1 1 11 GLN NE2 N 7.621 0.277 -5.369 1.00 . A A . 11 GLN NE2 1 1 20 8013 1 1 11 GLN O O 7.548 -3.002 -0.619 1.00 . A A . 11 GLN O 1 1 20 8014 1 1 11 GLN OE1 O 6.501 2.085 -4.678 1.00 . A A . 11 GLN OE1 1 1 20 8015 1 1 12 GLN C C 7.419 -2.901 2.430 1.00 . A A . 12 GLN C 1 1 20 8016 1 1 12 GLN CA C 8.093 -1.687 1.767 1.00 . A A . 12 GLN CA 1 1 20 8017 1 1 12 GLN CB C 8.390 -0.554 2.761 1.00 . A A . 12 GLN CB 1 1 20 8018 1 1 12 GLN CD C 8.850 1.977 2.561 1.00 . A A . 12 GLN CD 1 1 20 8019 1 1 12 GLN CG C 9.236 0.564 2.118 1.00 . A A . 12 GLN CG 1 1 20 8020 1 1 12 GLN H H 6.871 -0.253 0.743 1.00 . A A . 12 GLN H 1 1 20 8021 1 1 12 GLN HA H 9.049 -2.026 1.362 1.00 . A A . 12 GLN HA 1 1 20 8022 1 1 12 GLN HB3 H 8.939 -0.958 3.614 1.00 . A A . 12 GLN HB3 1 1 20 8023 1 1 12 GLN HE21 H 8.384 1.378 4.454 1.00 . A A . 12 GLN HE21 1 1 20 8024 1 1 12 GLN HE22 H 8.111 3.072 4.083 1.00 . A A . 12 GLN HE22 1 1 20 8025 1 1 12 GLN HG3 H 9.136 0.538 1.033 1.00 . A A . 12 GLN HG3 1 1 20 8026 1 1 12 GLN N N 7.285 -1.180 0.665 1.00 . A A . 12 GLN N 1 1 20 8027 1 1 12 GLN NE2 N 8.449 2.156 3.817 1.00 . A A . 12 GLN NE2 1 1 20 8028 1 1 12 GLN O O 8.109 -3.843 2.816 1.00 . A A . 12 GLN O 1 1 20 8029 1 1 12 GLN OE1 O 8.918 2.915 1.772 1.00 . A A . 12 GLN OE1 1 1 20 8030 1 1 13 TYR C C 5.251 -5.229 2.196 1.00 . A A . 13 TYR C 1 1 20 8031 1 1 13 TYR CA C 5.345 -4.022 3.156 1.00 . A A . 13 TYR CA 1 1 20 8032 1 1 13 TYR CB C 3.914 -3.596 3.540 1.00 . A A . 13 TYR CB 1 1 20 8033 1 1 13 TYR CD1 C 4.364 -1.523 4.967 1.00 . A A . 13 TYR CD1 1 1 20 8034 1 1 13 TYR CD2 C 2.631 -3.080 5.648 1.00 . A A . 13 TYR CD2 1 1 20 8035 1 1 13 TYR CE1 C 3.874 -0.574 5.884 1.00 . A A . 13 TYR CE1 1 1 20 8036 1 1 13 TYR CE2 C 2.186 -2.161 6.614 1.00 . A A . 13 TYR CE2 1 1 20 8037 1 1 13 TYR CG C 3.701 -2.752 4.791 1.00 . A A . 13 TYR CG 1 1 20 8038 1 1 13 TYR CZ C 2.767 -0.887 6.691 1.00 . A A . 13 TYR CZ 1 1 20 8039 1 1 13 TYR H H 5.575 -2.075 2.253 1.00 . A A . 13 TYR H 1 1 20 8040 1 1 13 TYR HA H 5.850 -4.356 4.064 1.00 . A A . 13 TYR HA 1 1 20 8041 1 1 13 TYR HB3 H 3.345 -4.517 3.677 1.00 . A A . 13 TYR HB3 1 1 20 8042 1 1 13 TYR HD1 H 5.243 -1.287 4.394 1.00 . A A . 13 TYR HD1 1 1 20 8043 1 1 13 TYR HD2 H 2.100 -4.013 5.531 1.00 . A A . 13 TYR HD2 1 1 20 8044 1 1 13 TYR HE1 H 4.355 0.389 5.964 1.00 . A A . 13 TYR HE1 1 1 20 8045 1 1 13 TYR HE2 H 1.346 -2.405 7.245 1.00 . A A . 13 TYR HE2 1 1 20 8046 1 1 13 TYR HH H 2.352 0.948 7.262 1.00 . A A . 13 TYR HH 1 1 20 8047 1 1 13 TYR N N 6.086 -2.895 2.575 1.00 . A A . 13 TYR N 1 1 20 8048 1 1 13 TYR O O 5.658 -6.340 2.524 1.00 . A A . 13 TYR O 1 1 20 8049 1 1 13 TYR OH O 2.240 0.030 7.551 1.00 . A A . 13 TYR OH 1 1 20 8050 1 1 14 CYS C C 4.833 -5.918 -1.192 1.00 . A A . 14 CYS C 1 1 20 8051 1 1 14 CYS CA C 4.040 -5.974 0.107 1.00 . A A . 14 CYS CA 1 1 20 8052 1 1 14 CYS CB C 2.583 -5.570 -0.191 1.00 . A A . 14 CYS CB 1 1 20 8053 1 1 14 CYS H H 4.391 -4.057 0.850 1.00 . A A . 14 CYS H 1 1 20 8054 1 1 14 CYS HA H 4.067 -6.983 0.521 1.00 . A A . 14 CYS HA 1 1 20 8055 1 1 14 CYS HB3 H 2.229 -5.963 -1.150 1.00 . A A . 14 CYS HB3 1 1 20 8056 1 1 14 CYS N N 4.597 -5.015 1.053 1.00 . A A . 14 CYS N 1 1 20 8057 1 1 14 CYS O O 5.173 -4.837 -1.661 1.00 . A A . 14 CYS O 1 1 20 8058 1 1 14 CYS SG S 1.410 -6.087 1.091 1.00 . A A . 14 CYS SG 1 1 20 8059 1 1 15 LEU C C 4.921 -6.372 -4.159 1.00 . A A . 15 LEU C 1 1 20 8060 1 1 15 LEU CA C 5.719 -7.154 -3.112 1.00 . A A . 15 LEU CA 1 1 20 8061 1 1 15 LEU CB C 5.885 -8.620 -3.550 1.00 . A A . 15 LEU CB 1 1 20 8062 1 1 15 LEU CD1 C 8.384 -8.859 -3.089 1.00 . A A . 15 LEU CD1 1 1 20 8063 1 1 15 LEU CD2 C 6.749 -9.573 -1.321 1.00 . A A . 15 LEU CD2 1 1 20 8064 1 1 15 LEU CG C 6.983 -9.425 -2.828 1.00 . A A . 15 LEU CG 1 1 20 8065 1 1 15 LEU H H 4.769 -7.936 -1.373 1.00 . A A . 15 LEU H 1 1 20 8066 1 1 15 LEU HA H 6.699 -6.682 -3.039 1.00 . A A . 15 LEU HA 1 1 20 8067 1 1 15 LEU HB3 H 6.131 -8.625 -4.613 1.00 . A A . 15 LEU HB3 1 1 20 8068 1 1 15 LEU HD11 H 9.133 -9.558 -2.713 1.00 . A A . 15 LEU HD11 1 1 20 8069 1 1 15 LEU HD12 H 8.539 -8.726 -4.161 1.00 . A A . 15 LEU HD12 1 1 20 8070 1 1 15 LEU HD13 H 8.519 -7.903 -2.585 1.00 . A A . 15 LEU HD13 1 1 20 8071 1 1 15 LEU HD21 H 7.458 -10.296 -0.917 1.00 . A A . 15 LEU HD21 1 1 20 8072 1 1 15 LEU HD22 H 6.903 -8.621 -0.811 1.00 . A A . 15 LEU HD22 1 1 20 8073 1 1 15 LEU HD23 H 5.737 -9.934 -1.132 1.00 . A A . 15 LEU HD23 1 1 20 8074 1 1 15 LEU HG H 6.958 -10.429 -3.257 1.00 . A A . 15 LEU HG 1 1 20 8075 1 1 15 LEU N N 5.060 -7.078 -1.815 1.00 . A A . 15 LEU N 1 1 20 8076 1 1 15 LEU O O 5.497 -5.602 -4.924 1.00 . A A . 15 LEU O 1 1 20 8077 1 1 16 THR C C 1.526 -5.272 -4.559 1.00 . A A . 16 THR C 1 1 20 8078 1 1 16 THR CA C 2.719 -5.991 -5.199 1.00 . A A . 16 THR CA 1 1 20 8079 1 1 16 THR CB C 2.269 -7.099 -6.165 1.00 . A A . 16 THR CB 1 1 20 8080 1 1 16 THR CG2 C 1.615 -6.490 -7.409 1.00 . A A . 16 THR CG2 1 1 20 8081 1 1 16 THR H H 3.201 -7.234 -3.539 1.00 . A A . 16 THR H 1 1 20 8082 1 1 16 THR HA H 3.263 -5.251 -5.789 1.00 . A A . 16 THR HA 1 1 20 8083 1 1 16 THR HB H 1.559 -7.763 -5.668 1.00 . A A . 16 THR HB 1 1 20 8084 1 1 16 THR HG1 H 3.098 -8.551 -7.174 1.00 . A A . 16 THR HG1 1 1 20 8085 1 1 16 THR HG21 H 0.751 -5.890 -7.122 1.00 . A A . 16 THR HG21 1 1 20 8086 1 1 16 THR HG22 H 2.332 -5.852 -7.926 1.00 . A A . 16 THR HG22 1 1 20 8087 1 1 16 THR HG23 H 1.286 -7.281 -8.082 1.00 . A A . 16 THR HG23 1 1 20 8088 1 1 16 THR N N 3.596 -6.570 -4.185 1.00 . A A . 16 THR N 1 1 20 8089 1 1 16 THR O O 0.427 -5.832 -4.488 1.00 . A A . 16 THR O 1 1 20 8090 1 1 16 THR OG1 O 3.389 -7.865 -6.568 1.00 . A A . 16 THR OG1 1 1 20 8091 1 1 17 PRO C C -0.426 -2.897 -4.555 1.00 . A A . 17 PRO C 1 1 20 8092 1 1 17 PRO CA C 0.622 -3.290 -3.513 1.00 . A A . 17 PRO CA 1 1 20 8093 1 1 17 PRO CB C 1.221 -2.127 -2.722 1.00 . A A . 17 PRO CB 1 1 20 8094 1 1 17 PRO CD C 2.897 -3.617 -3.367 1.00 . A A . 17 PRO CD 1 1 20 8095 1 1 17 PRO CG C 2.720 -2.195 -2.928 1.00 . A A . 17 PRO CG 1 1 20 8096 1 1 17 PRO HA H 0.237 -3.979 -2.776 1.00 . A A . 17 PRO HA 1 1 20 8097 1 1 17 PRO HB3 H 0.931 -2.235 -1.688 1.00 . A A . 17 PRO HB3 1 1 20 8098 1 1 17 PRO HD3 H 2.810 -4.085 -2.415 1.00 . A A . 17 PRO HD3 1 1 20 8099 1 1 17 PRO HG3 H 3.284 -2.050 -2.021 1.00 . A A . 17 PRO HG3 1 1 20 8100 1 1 17 PRO N N 1.714 -4.040 -4.067 1.00 . A A . 17 PRO N 1 1 20 8101 1 1 17 PRO O O -0.128 -2.801 -5.743 1.00 . A A . 17 PRO O 1 1 20 8102 1 1 18 ASP C C -2.557 -0.605 -4.821 1.00 . A A . 18 ASP C 1 1 20 8103 1 1 18 ASP CA C -2.754 -2.118 -4.852 1.00 . A A . 18 ASP CA 1 1 20 8104 1 1 18 ASP CB C -4.082 -2.547 -4.197 1.00 . A A . 18 ASP CB 1 1 20 8105 1 1 18 ASP CG C -5.338 -2.231 -5.000 1.00 . A A . 18 ASP CG 1 1 20 8106 1 1 18 ASP H H -1.782 -2.709 -3.085 1.00 . A A . 18 ASP H 1 1 20 8107 1 1 18 ASP HA H -2.710 -2.464 -5.883 1.00 . A A . 18 ASP HA 1 1 20 8108 1 1 18 ASP HB3 H -4.166 -2.055 -3.241 1.00 . A A . 18 ASP HB3 1 1 20 8109 1 1 18 ASP N N -1.654 -2.682 -4.087 1.00 . A A . 18 ASP N 1 1 20 8110 1 1 18 ASP O O -2.363 0.029 -5.854 1.00 . A A . 18 ASP O 1 1 20 8111 1 1 18 ASP OD1 O -5.348 -2.539 -6.208 1.00 . A A . 18 ASP OD1 1 1 20 8112 1 1 18 ASP OD2 O -6.303 -1.721 -4.380 1.00 . A A . 18 ASP OD2 1 1 20 8113 1 1 19 ARG C C -2.141 1.674 -1.951 1.00 . A A . 19 ARG C 1 1 20 8114 1 1 19 ARG CA C -2.458 1.407 -3.417 1.00 . A A . 19 ARG CA 1 1 20 8115 1 1 19 ARG CB C -3.770 2.135 -3.765 1.00 . A A . 19 ARG CB 1 1 20 8116 1 1 19 ARG CD C -6.311 1.844 -4.262 1.00 . A A . 19 ARG CD 1 1 20 8117 1 1 19 ARG CG C -5.008 1.254 -3.708 1.00 . A A . 19 ARG CG 1 1 20 8118 1 1 19 ARG CZ C -8.199 0.476 -3.360 1.00 . A A . 19 ARG CZ 1 1 20 8119 1 1 19 ARG H H -2.854 -0.553 -2.790 1.00 . A A . 19 ARG H 1 1 20 8120 1 1 19 ARG HA H -1.644 1.792 -4.033 1.00 . A A . 19 ARG HA 1 1 20 8121 1 1 19 ARG HB3 H -3.691 2.632 -4.732 1.00 . A A . 19 ARG HB3 1 1 20 8122 1 1 19 ARG HD3 H -6.136 2.159 -5.292 1.00 . A A . 19 ARG HD3 1 1 20 8123 1 1 19 ARG HE H -6.834 -0.108 -4.633 1.00 . A A . 19 ARG HE 1 1 20 8124 1 1 19 ARG HG3 H -5.103 0.862 -2.702 1.00 . A A . 19 ARG HG3 1 1 20 8125 1 1 19 ARG HH11 H -8.787 2.400 -3.119 1.00 . A A . 19 ARG HH11 1 1 20 8126 1 1 19 ARG HH12 H -9.498 1.283 -1.973 1.00 . A A . 19 ARG HH12 1 1 20 8127 1 1 19 ARG HH21 H -7.704 -1.460 -3.463 1.00 . A A . 19 ARG HH21 1 1 20 8128 1 1 19 ARG HH22 H -9.033 -1.125 -2.341 1.00 . A A . 19 ARG HH22 1 1 20 8129 1 1 19 ARG N N -2.594 -0.021 -3.615 1.00 . A A . 19 ARG N 1 1 20 8130 1 1 19 ARG NE N -7.269 0.742 -4.278 1.00 . A A . 19 ARG NE 1 1 20 8131 1 1 19 ARG NH1 N -8.899 1.457 -2.780 1.00 . A A . 19 ARG NH1 1 1 20 8132 1 1 19 ARG NH2 N -8.376 -0.805 -3.033 1.00 . A A . 19 ARG NH2 1 1 20 8133 1 1 19 ARG O O -2.593 0.940 -1.077 1.00 . A A . 19 ARG O 1 1 20 8134 1 1 20 CYS C C -3.029 4.342 -0.726 1.00 . A A . 20 CYS C 1 1 20 8135 1 1 20 CYS CA C -1.771 3.525 -0.450 1.00 . A A . 20 CYS CA 1 1 20 8136 1 1 20 CYS CB C -0.608 4.433 -0.065 1.00 . A A . 20 CYS CB 1 1 20 8137 1 1 20 CYS H H -1.219 3.370 -2.474 1.00 . A A . 20 CYS H 1 1 20 8138 1 1 20 CYS HA H -1.942 2.836 0.373 1.00 . A A . 20 CYS HA 1 1 20 8139 1 1 20 CYS HB3 H -0.455 5.167 -0.855 1.00 . A A . 20 CYS HB3 1 1 20 8140 1 1 20 CYS N N -1.495 2.807 -1.683 1.00 . A A . 20 CYS N 1 1 20 8141 1 1 20 CYS O O -3.016 5.192 -1.616 1.00 . A A . 20 CYS O 1 1 20 8142 1 1 20 CYS SG S -0.915 5.312 1.485 1.00 . A A . 20 CYS SG 1 1 20 8143 1 1 21 SER C C -6.310 4.548 0.872 1.00 . A A . 21 SER C 1 1 20 8144 1 1 21 SER CA C -5.422 4.662 -0.361 1.00 . A A . 21 SER CA 1 1 20 8145 1 1 21 SER CB C -6.040 4.025 -1.615 1.00 . A A . 21 SER CB 1 1 20 8146 1 1 21 SER H H -4.163 3.273 0.602 1.00 . A A . 21 SER H 1 1 20 8147 1 1 21 SER HA H -5.262 5.727 -0.538 1.00 . A A . 21 SER HA 1 1 20 8148 1 1 21 SER HB3 H -7.116 4.152 -1.559 1.00 . A A . 21 SER HB3 1 1 20 8149 1 1 21 SER HG H -4.631 4.980 -2.575 1.00 . A A . 21 SER HG 1 1 20 8150 1 1 21 SER N N -4.150 4.025 -0.081 1.00 . A A . 21 SER N 1 1 20 8151 1 1 21 SER O O -6.253 3.539 1.565 1.00 . A A . 21 SER O 1 1 20 8152 1 1 21 SER OG O -5.554 4.735 -2.737 1.00 . A A . 21 SER OG 1 1 20 8153 1 1 22 TYR C C -6.991 5.333 3.640 1.00 . A A . 22 TYR C 1 1 20 8154 1 1 22 TYR CA C -7.855 5.696 2.422 1.00 . A A . 22 TYR CA 1 1 20 8155 1 1 22 TYR CB C -9.132 4.847 2.324 1.00 . A A . 22 TYR CB 1 1 20 8156 1 1 22 TYR CD1 C -10.869 6.419 1.366 1.00 . A A . 22 TYR CD1 1 1 20 8157 1 1 22 TYR CD2 C -10.158 4.518 0.023 1.00 . A A . 22 TYR CD2 1 1 20 8158 1 1 22 TYR CE1 C -11.744 6.814 0.340 1.00 . A A . 22 TYR CE1 1 1 20 8159 1 1 22 TYR CE2 C -11.032 4.917 -1.005 1.00 . A A . 22 TYR CE2 1 1 20 8160 1 1 22 TYR CG C -10.073 5.269 1.210 1.00 . A A . 22 TYR CG 1 1 20 8161 1 1 22 TYR CZ C -11.828 6.063 -0.842 1.00 . A A . 22 TYR CZ 1 1 20 8162 1 1 22 TYR H H -7.094 6.391 0.562 1.00 . A A . 22 TYR H 1 1 20 8163 1 1 22 TYR HA H -8.153 6.738 2.544 1.00 . A A . 22 TYR HA 1 1 20 8164 1 1 22 TYR HB3 H -9.676 4.931 3.266 1.00 . A A . 22 TYR HB3 1 1 20 8165 1 1 22 TYR HD1 H -10.818 6.995 2.278 1.00 . A A . 22 TYR HD1 1 1 20 8166 1 1 22 TYR HD2 H -9.568 3.626 -0.099 1.00 . A A . 22 TYR HD2 1 1 20 8167 1 1 22 TYR HE1 H -12.361 7.691 0.465 1.00 . A A . 22 TYR HE1 1 1 20 8168 1 1 22 TYR HE2 H -11.100 4.327 -1.907 1.00 . A A . 22 TYR HE2 1 1 20 8169 1 1 22 TYR HH H -12.682 5.869 -2.590 1.00 . A A . 22 TYR HH 1 1 20 8170 1 1 22 TYR N N -7.081 5.596 1.183 1.00 . A A . 22 TYR N 1 1 20 8171 1 1 22 TYR O O -7.388 4.536 4.487 1.00 . A A . 22 TYR O 1 1 20 8172 1 1 22 TYR OH O -12.686 6.451 -1.828 1.00 . A A . 22 TYR OH 1 1 20 8173 1 1 23 GLY C C -4.436 4.195 4.982 1.00 . A A . 23 GLY C 1 1 20 8174 1 1 23 GLY CA C -4.812 5.669 4.769 1.00 . A A . 23 GLY CA 1 1 20 8175 1 1 23 GLY H H -5.512 6.527 2.957 1.00 . A A . 23 GLY H 1 1 20 8176 1 1 23 GLY HA2 H -3.904 6.222 4.532 1.00 . A A . 23 GLY HA2 1 1 20 8177 1 1 23 GLY HA3 H -5.231 6.065 5.695 1.00 . A A . 23 GLY HA3 1 1 20 8178 1 1 23 GLY N N -5.777 5.893 3.695 1.00 . A A . 23 GLY N 1 1 20 8179 1 1 23 GLY O O -3.843 3.853 6.008 1.00 . A A . 23 GLY O 1 1 20 8180 1 1 24 THR C C -3.648 1.512 2.964 1.00 . A A . 24 THR C 1 1 20 8181 1 1 24 THR CA C -4.619 1.898 4.073 1.00 . A A . 24 THR CA 1 1 20 8182 1 1 24 THR CB C -5.998 1.247 3.876 1.00 . A A . 24 THR CB 1 1 20 8183 1 1 24 THR CG2 C -5.955 -0.271 4.059 1.00 . A A . 24 THR CG2 1 1 20 8184 1 1 24 THR H H -5.205 3.688 3.179 1.00 . A A . 24 THR H 1 1 20 8185 1 1 24 THR HA H -4.230 1.605 5.044 1.00 . A A . 24 THR HA 1 1 20 8186 1 1 24 THR HB H -6.363 1.453 2.870 1.00 . A A . 24 THR HB 1 1 20 8187 1 1 24 THR HG1 H -7.010 2.733 4.663 1.00 . A A . 24 THR HG1 1 1 20 8188 1 1 24 THR HG21 H -5.265 -0.725 3.347 1.00 . A A . 24 THR HG21 1 1 20 8189 1 1 24 THR HG22 H -5.643 -0.515 5.073 1.00 . A A . 24 THR HG22 1 1 20 8190 1 1 24 THR HG23 H -6.952 -0.681 3.890 1.00 . A A . 24 THR HG23 1 1 20 8191 1 1 24 THR N N -4.771 3.337 4.019 1.00 . A A . 24 THR N 1 1 20 8192 1 1 24 THR O O -3.833 1.936 1.821 1.00 . A A . 24 THR O 1 1 20 8193 1 1 24 THR OG1 O -6.916 1.781 4.810 1.00 . A A . 24 THR OG1 1 1 20 8194 1 1 25 CYS C C -2.406 -1.112 1.758 1.00 . A A . 25 CYS C 1 1 20 8195 1 1 25 CYS CA C -1.739 0.177 2.254 1.00 . A A . 25 CYS CA 1 1 20 8196 1 1 25 CYS CB C -0.268 0.135 2.710 1.00 . A A . 25 CYS CB 1 1 20 8197 1 1 25 CYS H H -2.560 0.335 4.215 1.00 . A A . 25 CYS H 1 1 20 8198 1 1 25 CYS HA H -1.714 0.859 1.406 1.00 . A A . 25 CYS HA 1 1 20 8199 1 1 25 CYS HB3 H -0.156 0.649 3.663 1.00 . A A . 25 CYS HB3 1 1 20 8200 1 1 25 CYS N N -2.612 0.730 3.280 1.00 . A A . 25 CYS N 1 1 20 8201 1 1 25 CYS O O -2.235 -2.207 2.288 1.00 . A A . 25 CYS O 1 1 20 8202 1 1 25 CYS SG S 0.600 -1.429 2.815 1.00 . A A . 25 CYS SG 1 1 20 8203 1 1 26 TYR C C -2.985 -2.805 -0.701 1.00 . A A . 26 TYR C 1 1 20 8204 1 1 26 TYR CA C -3.999 -2.005 0.106 1.00 . A A . 26 TYR CA 1 1 20 8205 1 1 26 TYR CB C -5.027 -1.379 -0.842 1.00 . A A . 26 TYR CB 1 1 20 8206 1 1 26 TYR CD1 C -7.366 -1.612 0.064 1.00 . A A . 26 TYR CD1 1 1 20 8207 1 1 26 TYR CD2 C -6.367 0.600 -0.047 1.00 . A A . 26 TYR CD2 1 1 20 8208 1 1 26 TYR CE1 C -8.638 -1.035 0.219 1.00 . A A . 26 TYR CE1 1 1 20 8209 1 1 26 TYR CE2 C -7.641 1.172 0.069 1.00 . A A . 26 TYR CE2 1 1 20 8210 1 1 26 TYR CG C -6.245 -0.793 -0.168 1.00 . A A . 26 TYR CG 1 1 20 8211 1 1 26 TYR CZ C -8.781 0.359 0.147 1.00 . A A . 26 TYR CZ 1 1 20 8212 1 1 26 TYR H H -3.318 -0.018 0.340 1.00 . A A . 26 TYR H 1 1 20 8213 1 1 26 TYR HA H -4.499 -2.645 0.837 1.00 . A A . 26 TYR HA 1 1 20 8214 1 1 26 TYR HB3 H -5.403 -2.151 -1.510 1.00 . A A . 26 TYR HB3 1 1 20 8215 1 1 26 TYR HD1 H -7.276 -2.685 -0.018 1.00 . A A . 26 TYR HD1 1 1 20 8216 1 1 26 TYR HD2 H -5.500 1.230 -0.178 1.00 . A A . 26 TYR HD2 1 1 20 8217 1 1 26 TYR HE1 H -9.508 -1.675 0.266 1.00 . A A . 26 TYR HE1 1 1 20 8218 1 1 26 TYR HE2 H -7.755 2.241 0.003 1.00 . A A . 26 TYR HE2 1 1 20 8219 1 1 26 TYR HH H -10.723 0.390 0.066 1.00 . A A . 26 TYR HH 1 1 20 8220 1 1 26 TYR N N -3.287 -0.934 0.776 1.00 . A A . 26 TYR N 1 1 20 8221 1 1 26 TYR O O -2.203 -2.191 -1.427 1.00 . A A . 26 TYR O 1 1 20 8222 1 1 26 TYR OH O -9.970 0.879 -0.279 1.00 . A A . 26 TYR OH 1 1 20 8223 1 1 27 CYS C C -2.941 -5.762 -2.457 1.00 . A A . 27 CYS C 1 1 20 8224 1 1 27 CYS CA C -2.142 -5.008 -1.404 1.00 . A A . 27 CYS CA 1 1 20 8225 1 1 27 CYS CB C -1.231 -5.899 -0.554 1.00 . A A . 27 CYS CB 1 1 20 8226 1 1 27 CYS H H -3.686 -4.600 -0.020 1.00 . A A . 27 CYS H 1 1 20 8227 1 1 27 CYS HA H -1.489 -4.360 -1.948 1.00 . A A . 27 CYS HA 1 1 20 8228 1 1 27 CYS HB3 H -0.494 -6.351 -1.218 1.00 . A A . 27 CYS HB3 1 1 20 8229 1 1 27 CYS N N -3.006 -4.143 -0.608 1.00 . A A . 27 CYS N 1 1 20 8230 1 1 27 CYS O O -4.078 -6.149 -2.199 1.00 . A A . 27 CYS O 1 1 20 8231 1 1 27 CYS SG S -0.297 -4.973 0.684 1.00 . A A . 27 CYS SG 1 1 20 8232 1 1 28 LYS C C -3.401 -7.892 -4.666 1.00 . A A . 28 LYS C 1 1 20 8233 1 1 28 LYS CA C -3.145 -6.395 -4.806 1.00 . A A . 28 LYS CA 1 1 20 8234 1 1 28 LYS CB C -2.435 -6.056 -6.131 1.00 . A A . 28 LYS CB 1 1 20 8235 1 1 28 LYS CD C -4.587 -6.068 -7.533 1.00 . A A . 28 LYS CD 1 1 20 8236 1 1 28 LYS CE C -5.425 -5.185 -8.467 1.00 . A A . 28 LYS CE 1 1 20 8237 1 1 28 LYS CG C -3.338 -5.286 -7.102 1.00 . A A . 28 LYS CG 1 1 20 8238 1 1 28 LYS H H -1.417 -5.627 -3.828 1.00 . A A . 28 LYS H 1 1 20 8239 1 1 28 LYS HA H -4.107 -5.883 -4.778 1.00 . A A . 28 LYS HA 1 1 20 8240 1 1 28 LYS HB3 H -2.066 -6.964 -6.612 1.00 . A A . 28 LYS HB3 1 1 20 8241 1 1 28 LYS HD3 H -5.175 -6.325 -6.651 1.00 . A A . 28 LYS HD3 1 1 20 8242 1 1 28 LYS HE3 H -4.922 -5.096 -9.432 1.00 . A A . 28 LYS HE3 1 1 20 8243 1 1 28 LYS HG3 H -2.749 -5.021 -7.981 1.00 . A A . 28 LYS HG3 1 1 20 8244 1 1 28 LYS HZ1 H -7.262 -5.754 -7.766 1.00 . A A . 28 LYS HZ1 1 1 20 8245 1 1 28 LYS HZ2 H -7.304 -5.110 -9.274 1.00 . A A . 28 LYS HZ2 1 1 20 8246 1 1 28 LYS HZ3 H -6.751 -6.647 -9.056 1.00 . A A . 28 LYS HZ3 1 1 20 8247 1 1 28 LYS N N -2.380 -5.908 -3.666 1.00 . A A . 28 LYS N 1 1 20 8248 1 1 28 LYS NZ N -6.788 -5.720 -8.658 1.00 . A A . 28 LYS NZ 1 1 20 8249 1 1 28 LYS O O -4.483 -8.374 -4.996 1.00 . A A . 28 LYS O 1 1 20 8250 1 1 29 THR C C -1.939 -10.110 -2.358 1.00 . A A . 29 THR C 1 1 20 8251 1 1 29 THR CA C -2.485 -10.011 -3.791 1.00 . A A . 29 THR CA 1 1 20 8252 1 1 29 THR CB C -1.755 -10.888 -4.824 1.00 . A A . 29 THR CB 1 1 20 8253 1 1 29 THR CG2 C -2.382 -10.748 -6.215 1.00 . A A . 29 THR CG2 1 1 20 8254 1 1 29 THR H H -1.522 -8.147 -3.977 1.00 . A A . 29 THR H 1 1 20 8255 1 1 29 THR HA H -3.529 -10.325 -3.750 1.00 . A A . 29 THR HA 1 1 20 8256 1 1 29 THR HB H -1.838 -11.936 -4.530 1.00 . A A . 29 THR HB 1 1 20 8257 1 1 29 THR HG1 H 0.043 -11.057 -5.563 1.00 . A A . 29 THR HG1 1 1 20 8258 1 1 29 THR HG21 H -3.452 -10.951 -6.159 1.00 . A A . 29 THR HG21 1 1 20 8259 1 1 29 THR HG22 H -2.229 -9.742 -6.606 1.00 . A A . 29 THR HG22 1 1 20 8260 1 1 29 THR HG23 H -1.925 -11.464 -6.897 1.00 . A A . 29 THR HG23 1 1 20 8261 1 1 29 THR N N -2.389 -8.618 -4.189 1.00 . A A . 29 THR N 1 1 20 8262 1 1 29 THR O O -2.261 -9.262 -1.526 1.00 . A A . 29 THR O 1 1 20 8263 1 1 29 THR OG1 O -0.393 -10.513 -4.901 1.00 . A A . 29 THR OG1 1 1 20 8264 1 1 30 THR C C 0.452 -10.374 -0.291 1.00 . A A . 30 THR C 1 1 20 8265 1 1 30 THR CA C -0.602 -11.403 -0.725 1.00 . A A . 30 THR CA 1 1 20 8266 1 1 30 THR CB C -0.057 -12.843 -0.737 1.00 . A A . 30 THR CB 1 1 20 8267 1 1 30 THR CG2 C -0.046 -13.446 0.671 1.00 . A A . 30 THR CG2 1 1 20 8268 1 1 30 THR H H -0.874 -11.800 -2.756 1.00 . A A . 30 THR H 1 1 20 8269 1 1 30 THR HA H -1.442 -11.359 -0.029 1.00 . A A . 30 THR HA 1 1 20 8270 1 1 30 THR HB H 0.956 -12.856 -1.145 1.00 . A A . 30 THR HB 1 1 20 8271 1 1 30 THR HG1 H -0.559 -14.547 -1.547 1.00 . A A . 30 THR HG1 1 1 20 8272 1 1 30 THR HG21 H -1.060 -13.485 1.071 1.00 . A A . 30 THR HG21 1 1 20 8273 1 1 30 THR HG22 H 0.361 -14.456 0.637 1.00 . A A . 30 THR HG22 1 1 20 8274 1 1 30 THR HG23 H 0.576 -12.840 1.330 1.00 . A A . 30 THR HG23 1 1 20 8275 1 1 30 THR N N -1.108 -11.109 -2.057 1.00 . A A . 30 THR N 1 1 20 8276 1 1 30 THR O O 1.630 -10.689 -0.145 1.00 . A A . 30 THR O 1 1 20 8277 1 1 30 THR OG1 O -0.872 -13.638 -1.579 1.00 . A A . 30 THR OG1 1 1 20 8278 1 1 31 NH2 HN1 H -0.931 -8.899 -0.271 1.00 . A A . 31 NH2 HN1 1 1 20 8279 1 1 31 NH2 HN2 H 0.697 -8.427 0.219 1.00 . A A . 31 NH2 HN2 1 1 20 8280 1 1 31 NH2 N N 0.038 -9.128 -0.079 1.00 . A A . 31 NH2 N 1 1 21 8281 1 1 1 PCA C C -2.316 8.515 9.582 1.00 . A A . 1 PCA C 1 1 21 8282 1 1 1 PCA CA C -1.648 9.456 10.585 1.00 . A A . 1 PCA CA 1 1 21 8283 1 1 1 PCA CB C -2.551 10.633 10.987 1.00 . A A . 1 PCA CB 1 1 21 8284 1 1 1 PCA CD C -0.811 11.293 9.478 1.00 . A A . 1 PCA CD 1 1 21 8285 1 1 1 PCA CG C -2.224 11.656 9.899 1.00 . A A . 1 PCA CG 1 1 21 8286 1 1 1 PCA HA H -1.344 8.890 11.467 1.00 . A A . 1 PCA HA 1 1 21 8287 1 1 1 PCA HB2 H -2.214 11.022 11.947 1.00 . A A . 1 PCA HB2 1 1 21 8288 1 1 1 PCA HB3 H -3.614 10.391 11.042 1.00 . A A . 1 PCA HB3 1 1 21 8289 1 1 1 PCA HG2 H -2.893 11.532 9.047 1.00 . A A . 1 PCA HG2 1 1 21 8290 1 1 1 PCA HG3 H -2.283 12.676 10.282 1.00 . A A . 1 PCA HG3 1 1 21 8291 1 1 1 PCA N N -0.504 10.083 9.947 1.00 . A A . 1 PCA N 1 1 21 8292 1 1 1 PCA O O -3.510 8.622 9.314 1.00 . A A . 1 PCA O 1 1 21 8293 1 1 1 PCA OE O -0.074 12.082 8.913 1.00 . A A . 1 PCA OE 1 1 21 8294 1 1 2 THR C C -0.894 5.508 8.193 1.00 . A A . 2 THR C 1 1 21 8295 1 1 2 THR CA C -1.910 6.637 8.014 1.00 . A A . 2 THR CA 1 1 21 8296 1 1 2 THR CB C -1.797 7.247 6.605 1.00 . A A . 2 THR CB 1 1 21 8297 1 1 2 THR CG2 C -2.828 8.348 6.339 1.00 . A A . 2 THR CG2 1 1 21 8298 1 1 2 THR H H -0.565 7.470 9.266 1.00 . A A . 2 THR H 1 1 21 8299 1 1 2 THR HA H -2.919 6.266 8.198 1.00 . A A . 2 THR HA 1 1 21 8300 1 1 2 THR HB H -1.945 6.452 5.874 1.00 . A A . 2 THR HB 1 1 21 8301 1 1 2 THR HG1 H -0.271 7.717 5.489 1.00 . A A . 2 THR HG1 1 1 21 8302 1 1 2 THR HG21 H -3.824 8.005 6.617 1.00 . A A . 2 THR HG21 1 1 21 8303 1 1 2 THR HG22 H -2.585 9.240 6.915 1.00 . A A . 2 THR HG22 1 1 21 8304 1 1 2 THR HG23 H -2.817 8.609 5.281 1.00 . A A . 2 THR HG23 1 1 21 8305 1 1 2 THR N N -1.533 7.604 9.008 1.00 . A A . 2 THR N 1 1 21 8306 1 1 2 THR O O 0.142 5.688 8.834 1.00 . A A . 2 THR O 1 1 21 8307 1 1 2 THR OG1 O -0.512 7.803 6.421 1.00 . A A . 2 THR OG1 1 1 21 8308 1 1 3 GLN C C 0.934 3.698 6.593 1.00 . A A . 3 GLN C 1 1 21 8309 1 1 3 GLN CA C -0.237 3.264 7.476 1.00 . A A . 3 GLN CA 1 1 21 8310 1 1 3 GLN CB C -0.912 2.054 6.829 1.00 . A A . 3 GLN CB 1 1 21 8311 1 1 3 GLN CD C -2.594 0.220 7.158 1.00 . A A . 3 GLN CD 1 1 21 8312 1 1 3 GLN CG C -1.982 1.436 7.728 1.00 . A A . 3 GLN CG 1 1 21 8313 1 1 3 GLN H H -2.087 4.323 7.158 1.00 . A A . 3 GLN H 1 1 21 8314 1 1 3 GLN HA H 0.148 2.980 8.458 1.00 . A A . 3 GLN HA 1 1 21 8315 1 1 3 GLN HB3 H -0.153 1.298 6.625 1.00 . A A . 3 GLN HB3 1 1 21 8316 1 1 3 GLN HE21 H -3.648 0.114 8.900 1.00 . A A . 3 GLN HE21 1 1 21 8317 1 1 3 GLN HE22 H -3.760 -1.192 7.776 1.00 . A A . 3 GLN HE22 1 1 21 8318 1 1 3 GLN HG3 H -2.853 2.055 7.900 1.00 . A A . 3 GLN HG3 1 1 21 8319 1 1 3 GLN N N -1.191 4.354 7.617 1.00 . A A . 3 GLN N 1 1 21 8320 1 1 3 GLN NE2 N -3.442 -0.309 8.008 1.00 . A A . 3 GLN NE2 1 1 21 8321 1 1 3 GLN O O 2.080 3.352 6.862 1.00 . A A . 3 GLN O 1 1 21 8322 1 1 3 GLN OE1 O -2.321 -0.230 6.048 1.00 . A A . 3 GLN OE1 1 1 21 8323 1 1 4 CYS C C 1.383 6.211 4.077 1.00 . A A . 4 CYS C 1 1 21 8324 1 1 4 CYS CA C 1.534 4.748 4.434 1.00 . A A . 4 CYS CA 1 1 21 8325 1 1 4 CYS CB C 1.258 3.890 3.198 1.00 . A A . 4 CYS CB 1 1 21 8326 1 1 4 CYS H H -0.350 4.667 5.367 1.00 . A A . 4 CYS H 1 1 21 8327 1 1 4 CYS HA H 2.559 4.572 4.760 1.00 . A A . 4 CYS HA 1 1 21 8328 1 1 4 CYS HB3 H 1.610 2.900 3.445 1.00 . A A . 4 CYS HB3 1 1 21 8329 1 1 4 CYS N N 0.613 4.399 5.503 1.00 . A A . 4 CYS N 1 1 21 8330 1 1 4 CYS O O 0.275 6.749 4.045 1.00 . A A . 4 CYS O 1 1 21 8331 1 1 4 CYS SG S -0.478 3.806 2.671 1.00 . A A . 4 CYS SG 1 1 21 8332 1 1 5 GLN C C 2.109 8.257 1.845 1.00 . A A . 5 GLN C 1 1 21 8333 1 1 5 GLN CA C 2.583 8.207 3.297 1.00 . A A . 5 GLN CA 1 1 21 8334 1 1 5 GLN CB C 4.027 8.698 3.409 1.00 . A A . 5 GLN CB 1 1 21 8335 1 1 5 GLN CD C 5.942 8.891 5.038 1.00 . A A . 5 GLN CD 1 1 21 8336 1 1 5 GLN CG C 4.429 8.800 4.885 1.00 . A A . 5 GLN CG 1 1 21 8337 1 1 5 GLN H H 3.390 6.314 3.879 1.00 . A A . 5 GLN H 1 1 21 8338 1 1 5 GLN HA H 1.964 8.860 3.916 1.00 . A A . 5 GLN HA 1 1 21 8339 1 1 5 GLN HB3 H 4.121 9.683 2.951 1.00 . A A . 5 GLN HB3 1 1 21 8340 1 1 5 GLN HE21 H 6.110 6.917 4.586 1.00 . A A . 5 GLN HE21 1 1 21 8341 1 1 5 GLN HE22 H 7.627 7.759 4.923 1.00 . A A . 5 GLN HE22 1 1 21 8342 1 1 5 GLN HG3 H 4.102 7.922 5.443 1.00 . A A . 5 GLN HG3 1 1 21 8343 1 1 5 GLN N N 2.515 6.840 3.785 1.00 . A A . 5 GLN N 1 1 21 8344 1 1 5 GLN NE2 N 6.626 7.773 4.832 1.00 . A A . 5 GLN NE2 1 1 21 8345 1 1 5 GLN O O 1.519 9.244 1.413 1.00 . A A . 5 GLN O 1 1 21 8346 1 1 5 GLN OE1 O 6.486 9.950 5.335 1.00 . A A . 5 GLN OE1 1 1 21 8347 1 1 6 SER C C 2.509 5.641 -0.736 1.00 . A A . 6 SER C 1 1 21 8348 1 1 6 SER CA C 2.161 7.080 -0.351 1.00 . A A . 6 SER CA 1 1 21 8349 1 1 6 SER CB C 3.035 8.075 -1.132 1.00 . A A . 6 SER CB 1 1 21 8350 1 1 6 SER H H 2.820 6.384 1.516 1.00 . A A . 6 SER H 1 1 21 8351 1 1 6 SER HA H 1.106 7.256 -0.564 1.00 . A A . 6 SER HA 1 1 21 8352 1 1 6 SER HB3 H 3.128 7.762 -2.174 1.00 . A A . 6 SER HB3 1 1 21 8353 1 1 6 SER HG H 2.122 9.565 -0.255 1.00 . A A . 6 SER HG 1 1 21 8354 1 1 6 SER N N 2.406 7.203 1.079 1.00 . A A . 6 SER N 1 1 21 8355 1 1 6 SER O O 3.062 4.908 0.082 1.00 . A A . 6 SER O 1 1 21 8356 1 1 6 SER OG O 2.452 9.361 -1.141 1.00 . A A . 6 SER OG 1 1 21 8357 1 1 7 VAL C C 3.812 3.337 -2.122 1.00 . A A . 7 VAL C 1 1 21 8358 1 1 7 VAL CA C 2.424 3.890 -2.472 1.00 . A A . 7 VAL CA 1 1 21 8359 1 1 7 VAL CB C 2.093 3.884 -3.974 1.00 . A A . 7 VAL CB 1 1 21 8360 1 1 7 VAL CG1 C 3.138 4.600 -4.838 1.00 . A A . 7 VAL CG1 1 1 21 8361 1 1 7 VAL CG2 C 1.886 2.455 -4.459 1.00 . A A . 7 VAL CG2 1 1 21 8362 1 1 7 VAL H H 1.711 5.844 -2.603 1.00 . A A . 7 VAL H 1 1 21 8363 1 1 7 VAL HA H 1.701 3.240 -1.975 1.00 . A A . 7 VAL HA 1 1 21 8364 1 1 7 VAL HB H 1.140 4.398 -4.110 1.00 . A A . 7 VAL HB 1 1 21 8365 1 1 7 VAL HG11 H 3.325 5.605 -4.457 1.00 . A A . 7 VAL HG11 1 1 21 8366 1 1 7 VAL HG12 H 4.066 4.032 -4.851 1.00 . A A . 7 VAL HG12 1 1 21 8367 1 1 7 VAL HG13 H 2.768 4.678 -5.860 1.00 . A A . 7 VAL HG13 1 1 21 8368 1 1 7 VAL HG21 H 1.096 2.001 -3.863 1.00 . A A . 7 VAL HG21 1 1 21 8369 1 1 7 VAL HG22 H 1.583 2.471 -5.505 1.00 . A A . 7 VAL HG22 1 1 21 8370 1 1 7 VAL HG23 H 2.806 1.885 -4.349 1.00 . A A . 7 VAL HG23 1 1 21 8371 1 1 7 VAL N N 2.207 5.235 -1.973 1.00 . A A . 7 VAL N 1 1 21 8372 1 1 7 VAL O O 3.919 2.175 -1.746 1.00 . A A . 7 VAL O 1 1 21 8373 1 1 8 ARG C C 6.253 3.080 -0.448 1.00 . A A . 8 ARG C 1 1 21 8374 1 1 8 ARG CA C 6.221 3.826 -1.785 1.00 . A A . 8 ARG CA 1 1 21 8375 1 1 8 ARG CB C 7.098 5.086 -1.700 1.00 . A A . 8 ARG CB 1 1 21 8376 1 1 8 ARG CD C 6.803 5.777 -4.151 1.00 . A A . 8 ARG CD 1 1 21 8377 1 1 8 ARG CG C 7.786 5.442 -3.025 1.00 . A A . 8 ARG CG 1 1 21 8378 1 1 8 ARG CZ C 7.510 5.665 -6.577 1.00 . A A . 8 ARG CZ 1 1 21 8379 1 1 8 ARG H H 4.677 5.119 -2.482 1.00 . A A . 8 ARG H 1 1 21 8380 1 1 8 ARG HA H 6.645 3.160 -2.535 1.00 . A A . 8 ARG HA 1 1 21 8381 1 1 8 ARG HB3 H 7.898 4.898 -0.980 1.00 . A A . 8 ARG HB3 1 1 21 8382 1 1 8 ARG HD3 H 6.157 6.590 -3.817 1.00 . A A . 8 ARG HD3 1 1 21 8383 1 1 8 ARG HE H 8.027 7.099 -5.240 1.00 . A A . 8 ARG HE 1 1 21 8384 1 1 8 ARG HG3 H 8.420 4.607 -3.330 1.00 . A A . 8 ARG HG3 1 1 21 8385 1 1 8 ARG HH11 H 6.593 3.905 -6.020 1.00 . A A . 8 ARG HH11 1 1 21 8386 1 1 8 ARG HH12 H 6.855 4.088 -7.720 1.00 . A A . 8 ARG HH12 1 1 21 8387 1 1 8 ARG HH21 H 8.548 7.194 -7.456 1.00 . A A . 8 ARG HH21 1 1 21 8388 1 1 8 ARG HH22 H 8.114 5.901 -8.522 1.00 . A A . 8 ARG HH22 1 1 21 8389 1 1 8 ARG N N 4.858 4.173 -2.191 1.00 . A A . 8 ARG N 1 1 21 8390 1 1 8 ARG NE N 7.518 6.233 -5.356 1.00 . A A . 8 ARG NE 1 1 21 8391 1 1 8 ARG NH1 N 6.926 4.480 -6.794 1.00 . A A . 8 ARG NH1 1 1 21 8392 1 1 8 ARG NH2 N 8.098 6.300 -7.596 1.00 . A A . 8 ARG NH2 1 1 21 8393 1 1 8 ARG O O 6.933 2.063 -0.322 1.00 . A A . 8 ARG O 1 1 21 8394 1 1 9 ASP C C 4.924 1.516 1.735 1.00 . A A . 9 ASP C 1 1 21 8395 1 1 9 ASP CA C 5.467 2.936 1.851 1.00 . A A . 9 ASP CA 1 1 21 8396 1 1 9 ASP CB C 4.669 3.810 2.827 1.00 . A A . 9 ASP CB 1 1 21 8397 1 1 9 ASP CG C 5.530 4.687 3.726 1.00 . A A . 9 ASP CG 1 1 21 8398 1 1 9 ASP H H 4.850 4.321 0.383 1.00 . A A . 9 ASP H 1 1 21 8399 1 1 9 ASP HA H 6.485 2.829 2.195 1.00 . A A . 9 ASP HA 1 1 21 8400 1 1 9 ASP HB3 H 4.039 3.180 3.443 1.00 . A A . 9 ASP HB3 1 1 21 8401 1 1 9 ASP N N 5.498 3.560 0.543 1.00 . A A . 9 ASP N 1 1 21 8402 1 1 9 ASP O O 5.499 0.574 2.284 1.00 . A A . 9 ASP O 1 1 21 8403 1 1 9 ASP OD1 O 6.694 4.329 4.009 1.00 . A A . 9 ASP OD1 1 1 21 8404 1 1 9 ASP OD2 O 4.989 5.747 4.111 1.00 . A A . 9 ASP OD2 1 1 21 8405 1 1 10 CYS C C 4.516 -0.791 -0.097 1.00 . A A . 10 CYS C 1 1 21 8406 1 1 10 CYS CA C 3.453 -0.042 0.700 1.00 . A A . 10 CYS CA 1 1 21 8407 1 1 10 CYS CB C 2.082 -0.236 0.043 1.00 . A A . 10 CYS CB 1 1 21 8408 1 1 10 CYS H H 3.482 2.089 0.405 1.00 . A A . 10 CYS H 1 1 21 8409 1 1 10 CYS HA H 3.410 -0.537 1.669 1.00 . A A . 10 CYS HA 1 1 21 8410 1 1 10 CYS HB3 H 2.329 -0.494 -0.945 1.00 . A A . 10 CYS HB3 1 1 21 8411 1 1 10 CYS N N 3.853 1.327 0.958 1.00 . A A . 10 CYS N 1 1 21 8412 1 1 10 CYS O O 4.655 -1.983 0.104 1.00 . A A . 10 CYS O 1 1 21 8413 1 1 10 CYS SG S 1.111 -1.584 0.778 1.00 . A A . 10 CYS SG 1 1 21 8414 1 1 11 GLN C C 7.329 -1.423 -0.916 1.00 . A A . 11 GLN C 1 1 21 8415 1 1 11 GLN CA C 6.234 -0.864 -1.831 1.00 . A A . 11 GLN CA 1 1 21 8416 1 1 11 GLN CB C 6.843 0.021 -2.928 1.00 . A A . 11 GLN CB 1 1 21 8417 1 1 11 GLN CD C 6.461 1.254 -5.092 1.00 . A A . 11 GLN CD 1 1 21 8418 1 1 11 GLN CG C 5.822 0.394 -4.008 1.00 . A A . 11 GLN CG 1 1 21 8419 1 1 11 GLN H H 5.059 0.829 -1.198 1.00 . A A . 11 GLN H 1 1 21 8420 1 1 11 GLN HA H 5.748 -1.702 -2.336 1.00 . A A . 11 GLN HA 1 1 21 8421 1 1 11 GLN HB3 H 7.649 -0.541 -3.403 1.00 . A A . 11 GLN HB3 1 1 21 8422 1 1 11 GLN HE21 H 7.449 -0.346 -5.853 1.00 . A A . 11 GLN HE21 1 1 21 8423 1 1 11 GLN HE22 H 7.729 1.171 -6.674 1.00 . A A . 11 GLN HE22 1 1 21 8424 1 1 11 GLN HG3 H 4.995 0.942 -3.568 1.00 . A A . 11 GLN HG3 1 1 21 8425 1 1 11 GLN N N 5.230 -0.158 -1.036 1.00 . A A . 11 GLN N 1 1 21 8426 1 1 11 GLN NE2 N 7.276 0.644 -5.946 1.00 . A A . 11 GLN NE2 1 1 21 8427 1 1 11 GLN O O 7.801 -2.537 -1.119 1.00 . A A . 11 GLN O 1 1 21 8428 1 1 11 GLN OE1 O 6.232 2.461 -5.168 1.00 . A A . 11 GLN OE1 1 1 21 8429 1 1 12 GLN C C 8.009 -2.408 1.804 1.00 . A A . 12 GLN C 1 1 21 8430 1 1 12 GLN CA C 8.606 -1.148 1.155 1.00 . A A . 12 GLN CA 1 1 21 8431 1 1 12 GLN CB C 8.845 -0.041 2.196 1.00 . A A . 12 GLN CB 1 1 21 8432 1 1 12 GLN CD C 9.093 2.519 2.123 1.00 . A A . 12 GLN CD 1 1 21 8433 1 1 12 GLN CG C 9.614 1.168 1.623 1.00 . A A . 12 GLN CG 1 1 21 8434 1 1 12 GLN H H 7.328 0.280 0.185 1.00 . A A . 12 GLN H 1 1 21 8435 1 1 12 GLN HA H 9.566 -1.417 0.711 1.00 . A A . 12 GLN HA 1 1 21 8436 1 1 12 GLN HB3 H 9.415 -0.449 3.031 1.00 . A A . 12 GLN HB3 1 1 21 8437 1 1 12 GLN HE21 H 8.706 1.799 3.991 1.00 . A A . 12 GLN HE21 1 1 21 8438 1 1 12 GLN HE22 H 8.098 3.412 3.658 1.00 . A A . 12 GLN HE22 1 1 21 8439 1 1 12 GLN HG3 H 9.533 1.177 0.537 1.00 . A A . 12 GLN HG3 1 1 21 8440 1 1 12 GLN N N 7.719 -0.656 0.107 1.00 . A A . 12 GLN N 1 1 21 8441 1 1 12 GLN NE2 N 8.677 2.602 3.385 1.00 . A A . 12 GLN NE2 1 1 21 8442 1 1 12 GLN O O 8.721 -3.379 2.053 1.00 . A A . 12 GLN O 1 1 21 8443 1 1 12 GLN OE1 O 9.044 3.480 1.359 1.00 . A A . 12 GLN OE1 1 1 21 8444 1 1 13 TYR C C 5.772 -4.728 1.977 1.00 . A A . 13 TYR C 1 1 21 8445 1 1 13 TYR CA C 6.008 -3.456 2.810 1.00 . A A . 13 TYR CA 1 1 21 8446 1 1 13 TYR CB C 4.663 -2.900 3.288 1.00 . A A . 13 TYR CB 1 1 21 8447 1 1 13 TYR CD1 C 4.581 -4.010 5.571 1.00 . A A . 13 TYR CD1 1 1 21 8448 1 1 13 TYR CD2 C 2.626 -4.151 4.130 1.00 . A A . 13 TYR CD2 1 1 21 8449 1 1 13 TYR CE1 C 3.911 -4.764 6.550 1.00 . A A . 13 TYR CE1 1 1 21 8450 1 1 13 TYR CE2 C 1.955 -4.903 5.110 1.00 . A A . 13 TYR CE2 1 1 21 8451 1 1 13 TYR CG C 3.948 -3.722 4.346 1.00 . A A . 13 TYR CG 1 1 21 8452 1 1 13 TYR CZ C 2.602 -5.216 6.315 1.00 . A A . 13 TYR CZ 1 1 21 8453 1 1 13 TYR H H 6.192 -1.530 1.902 1.00 . A A . 13 TYR H 1 1 21 8454 1 1 13 TYR HA H 6.615 -3.723 3.676 1.00 . A A . 13 TYR HA 1 1 21 8455 1 1 13 TYR HB3 H 4.005 -2.798 2.424 1.00 . A A . 13 TYR HB3 1 1 21 8456 1 1 13 TYR HD1 H 5.577 -3.645 5.770 1.00 . A A . 13 TYR HD1 1 1 21 8457 1 1 13 TYR HD2 H 2.111 -3.893 3.218 1.00 . A A . 13 TYR HD2 1 1 21 8458 1 1 13 TYR HE1 H 4.400 -4.992 7.484 1.00 . A A . 13 TYR HE1 1 1 21 8459 1 1 13 TYR HE2 H 0.940 -5.224 4.927 1.00 . A A . 13 TYR HE2 1 1 21 8460 1 1 13 TYR HH H 1.068 -6.191 7.016 1.00 . A A . 13 TYR HH 1 1 21 8461 1 1 13 TYR N N 6.705 -2.385 2.098 1.00 . A A . 13 TYR N 1 1 21 8462 1 1 13 TYR O O 5.819 -5.839 2.504 1.00 . A A . 13 TYR O 1 1 21 8463 1 1 13 TYR OH O 1.957 -5.940 7.273 1.00 . A A . 13 TYR OH 1 1 21 8464 1 1 14 CYS C C 5.416 -5.513 -1.545 1.00 . A A . 14 CYS C 1 1 21 8465 1 1 14 CYS CA C 4.771 -5.532 -0.166 1.00 . A A . 14 CYS CA 1 1 21 8466 1 1 14 CYS CB C 3.277 -5.190 -0.307 1.00 . A A . 14 CYS CB 1 1 21 8467 1 1 14 CYS H H 5.498 -3.607 0.368 1.00 . A A . 14 CYS H 1 1 21 8468 1 1 14 CYS HA H 4.866 -6.533 0.257 1.00 . A A . 14 CYS HA 1 1 21 8469 1 1 14 CYS HB3 H 2.850 -5.585 -1.235 1.00 . A A . 14 CYS HB3 1 1 21 8470 1 1 14 CYS N N 5.427 -4.554 0.703 1.00 . A A . 14 CYS N 1 1 21 8471 1 1 14 CYS O O 5.644 -4.452 -2.117 1.00 . A A . 14 CYS O 1 1 21 8472 1 1 14 CYS SG S 2.255 -5.830 1.044 1.00 . A A . 14 CYS SG 1 1 21 8473 1 1 15 LEU C C 5.327 -6.268 -4.533 1.00 . A A . 15 LEU C 1 1 21 8474 1 1 15 LEU CA C 6.235 -6.847 -3.441 1.00 . A A . 15 LEU CA 1 1 21 8475 1 1 15 LEU CB C 6.537 -8.327 -3.727 1.00 . A A . 15 LEU CB 1 1 21 8476 1 1 15 LEU CD1 C 9.056 -8.257 -3.313 1.00 . A A . 15 LEU CD1 1 1 21 8477 1 1 15 LEU CD2 C 7.541 -8.982 -1.446 1.00 . A A . 15 LEU CD2 1 1 21 8478 1 1 15 LEU CG C 7.729 -8.943 -2.967 1.00 . A A . 15 LEU CG 1 1 21 8479 1 1 15 LEU H H 5.442 -7.536 -1.593 1.00 . A A . 15 LEU H 1 1 21 8480 1 1 15 LEU HA H 7.164 -6.277 -3.474 1.00 . A A . 15 LEU HA 1 1 21 8481 1 1 15 LEU HB3 H 6.759 -8.424 -4.792 1.00 . A A . 15 LEU HB3 1 1 21 8482 1 1 15 LEU HD11 H 9.096 -7.253 -2.894 1.00 . A A . 15 LEU HD11 1 1 21 8483 1 1 15 LEU HD12 H 9.881 -8.837 -2.898 1.00 . A A . 15 LEU HD12 1 1 21 8484 1 1 15 LEU HD13 H 9.176 -8.202 -4.395 1.00 . A A . 15 LEU HD13 1 1 21 8485 1 1 15 LEU HD21 H 7.613 -7.982 -1.020 1.00 . A A . 15 LEU HD21 1 1 21 8486 1 1 15 LEU HD22 H 6.575 -9.421 -1.198 1.00 . A A . 15 LEU HD22 1 1 21 8487 1 1 15 LEU HD23 H 8.328 -9.597 -1.005 1.00 . A A . 15 LEU HD23 1 1 21 8488 1 1 15 LEU HG H 7.806 -9.977 -3.306 1.00 . A A . 15 LEU HG 1 1 21 8489 1 1 15 LEU N N 5.643 -6.698 -2.116 1.00 . A A . 15 LEU N 1 1 21 8490 1 1 15 LEU O O 5.809 -5.905 -5.604 1.00 . A A . 15 LEU O 1 1 21 8491 1 1 16 THR C C 1.869 -5.013 -4.580 1.00 . A A . 16 THR C 1 1 21 8492 1 1 16 THR CA C 3.084 -5.625 -5.275 1.00 . A A . 16 THR CA 1 1 21 8493 1 1 16 THR CB C 2.664 -6.671 -6.318 1.00 . A A . 16 THR CB 1 1 21 8494 1 1 16 THR CG2 C 1.954 -5.999 -7.496 1.00 . A A . 16 THR CG2 1 1 21 8495 1 1 16 THR H H 3.646 -6.553 -3.434 1.00 . A A . 16 THR H 1 1 21 8496 1 1 16 THR HA H 3.587 -4.814 -5.808 1.00 . A A . 16 THR HA 1 1 21 8497 1 1 16 THR HB H 1.993 -7.399 -5.857 1.00 . A A . 16 THR HB 1 1 21 8498 1 1 16 THR HG1 H 4.566 -6.789 -6.747 1.00 . A A . 16 THR HG1 1 1 21 8499 1 1 16 THR HG21 H 1.051 -5.490 -7.156 1.00 . A A . 16 THR HG21 1 1 21 8500 1 1 16 THR HG22 H 2.619 -5.264 -7.953 1.00 . A A . 16 THR HG22 1 1 21 8501 1 1 16 THR HG23 H 1.689 -6.747 -8.242 1.00 . A A . 16 THR HG23 1 1 21 8502 1 1 16 THR N N 4.010 -6.208 -4.308 1.00 . A A . 16 THR N 1 1 21 8503 1 1 16 THR O O 0.807 -5.639 -4.506 1.00 . A A . 16 THR O 1 1 21 8504 1 1 16 THR OG1 O 3.790 -7.363 -6.822 1.00 . A A . 16 THR OG1 1 1 21 8505 1 1 17 PRO C C -0.223 -2.820 -4.482 1.00 . A A . 17 PRO C 1 1 21 8506 1 1 17 PRO CA C 0.883 -3.106 -3.471 1.00 . A A . 17 PRO CA 1 1 21 8507 1 1 17 PRO CB C 1.439 -1.878 -2.758 1.00 . A A . 17 PRO CB 1 1 21 8508 1 1 17 PRO CD C 3.189 -3.227 -3.478 1.00 . A A . 17 PRO CD 1 1 21 8509 1 1 17 PRO CG C 2.907 -1.801 -3.121 1.00 . A A . 17 PRO CG 1 1 21 8510 1 1 17 PRO HA H 0.576 -3.795 -2.702 1.00 . A A . 17 PRO HA 1 1 21 8511 1 1 17 PRO HB3 H 1.275 -2.024 -1.702 1.00 . A A . 17 PRO HB3 1 1 21 8512 1 1 17 PRO HD3 H 3.230 -3.630 -2.493 1.00 . A A . 17 PRO HD3 1 1 21 8513 1 1 17 PRO HG3 H 3.533 -1.515 -2.297 1.00 . A A . 17 PRO HG3 1 1 21 8514 1 1 17 PRO N N 1.997 -3.788 -4.055 1.00 . A A . 17 PRO N 1 1 21 8515 1 1 17 PRO O O 0.039 -2.675 -5.673 1.00 . A A . 17 PRO O 1 1 21 8516 1 1 18 ASP C C -2.583 -0.797 -4.730 1.00 . A A . 18 ASP C 1 1 21 8517 1 1 18 ASP CA C -2.613 -2.321 -4.744 1.00 . A A . 18 ASP CA 1 1 21 8518 1 1 18 ASP CB C -3.894 -2.864 -4.103 1.00 . A A . 18 ASP CB 1 1 21 8519 1 1 18 ASP CG C -5.063 -2.836 -5.074 1.00 . A A . 18 ASP CG 1 1 21 8520 1 1 18 ASP H H -1.571 -2.813 -2.984 1.00 . A A . 18 ASP H 1 1 21 8521 1 1 18 ASP HA H -2.544 -2.685 -5.771 1.00 . A A . 18 ASP HA 1 1 21 8522 1 1 18 ASP HB3 H -4.160 -2.269 -3.240 1.00 . A A . 18 ASP HB3 1 1 21 8523 1 1 18 ASP N N -1.459 -2.764 -3.987 1.00 . A A . 18 ASP N 1 1 21 8524 1 1 18 ASP O O -2.471 -0.159 -5.775 1.00 . A A . 18 ASP O 1 1 21 8525 1 1 18 ASP OD1 O -5.710 -1.769 -5.164 1.00 . A A . 18 ASP OD1 1 1 21 8526 1 1 18 ASP OD2 O -5.318 -3.895 -5.683 1.00 . A A . 18 ASP OD2 1 1 21 8527 1 1 19 ARG C C -2.252 1.617 -1.955 1.00 . A A . 19 ARG C 1 1 21 8528 1 1 19 ARG CA C -2.666 1.227 -3.373 1.00 . A A . 19 ARG CA 1 1 21 8529 1 1 19 ARG CB C -4.090 1.714 -3.645 1.00 . A A . 19 ARG CB 1 1 21 8530 1 1 19 ARG CD C -6.582 1.221 -3.597 1.00 . A A . 19 ARG CD 1 1 21 8531 1 1 19 ARG CG C -5.190 0.797 -3.129 1.00 . A A . 19 ARG CG 1 1 21 8532 1 1 19 ARG CZ C -8.430 -0.456 -3.282 1.00 . A A . 19 ARG CZ 1 1 21 8533 1 1 19 ARG H H -2.849 -0.727 -2.680 1.00 . A A . 19 ARG H 1 1 21 8534 1 1 19 ARG HA H -1.975 1.696 -4.077 1.00 . A A . 19 ARG HA 1 1 21 8535 1 1 19 ARG HB3 H -4.230 1.940 -4.703 1.00 . A A . 19 ARG HB3 1 1 21 8536 1 1 19 ARG HD3 H -6.666 1.016 -4.666 1.00 . A A . 19 ARG HD3 1 1 21 8537 1 1 19 ARG HE H -7.742 0.844 -1.888 1.00 . A A . 19 ARG HE 1 1 21 8538 1 1 19 ARG HG3 H -5.067 0.745 -2.060 1.00 . A A . 19 ARG HG3 1 1 21 8539 1 1 19 ARG HH11 H -7.161 -1.124 -4.746 1.00 . A A . 19 ARG HH11 1 1 21 8540 1 1 19 ARG HH12 H -8.719 -1.859 -4.767 1.00 . A A . 19 ARG HH12 1 1 21 8541 1 1 19 ARG HH21 H -9.764 -0.272 -1.727 1.00 . A A . 19 ARG HH21 1 1 21 8542 1 1 19 ARG HH22 H -10.176 -1.467 -2.925 1.00 . A A . 19 ARG HH22 1 1 21 8543 1 1 19 ARG N N -2.639 -0.206 -3.528 1.00 . A A . 19 ARG N 1 1 21 8544 1 1 19 ARG NE N -7.622 0.520 -2.831 1.00 . A A . 19 ARG NE 1 1 21 8545 1 1 19 ARG NH1 N -8.127 -1.140 -4.388 1.00 . A A . 19 ARG NH1 1 1 21 8546 1 1 19 ARG NH2 N -9.549 -0.745 -2.608 1.00 . A A . 19 ARG NH2 1 1 21 8547 1 1 19 ARG O O -2.494 0.872 -1.011 1.00 . A A . 19 ARG O 1 1 21 8548 1 1 20 CYS C C -3.101 4.394 -0.652 1.00 . A A . 20 CYS C 1 1 21 8549 1 1 20 CYS CA C -1.834 3.557 -0.539 1.00 . A A . 20 CYS CA 1 1 21 8550 1 1 20 CYS CB C -0.612 4.442 -0.296 1.00 . A A . 20 CYS CB 1 1 21 8551 1 1 20 CYS H H -1.637 3.394 -2.634 1.00 . A A . 20 CYS H 1 1 21 8552 1 1 20 CYS HA H -1.914 2.867 0.297 1.00 . A A . 20 CYS HA 1 1 21 8553 1 1 20 CYS HB3 H -0.525 5.171 -1.101 1.00 . A A . 20 CYS HB3 1 1 21 8554 1 1 20 CYS N N -1.731 2.835 -1.801 1.00 . A A . 20 CYS N 1 1 21 8555 1 1 20 CYS O O -3.167 5.280 -1.503 1.00 . A A . 20 CYS O 1 1 21 8556 1 1 20 CYS SG S -0.716 5.332 1.274 1.00 . A A . 20 CYS SG 1 1 21 8557 1 1 21 SER C C -6.324 4.328 1.115 1.00 . A A . 21 SER C 1 1 21 8558 1 1 21 SER CA C -5.491 4.587 -0.135 1.00 . A A . 21 SER CA 1 1 21 8559 1 1 21 SER CB C -6.091 3.900 -1.363 1.00 . A A . 21 SER CB 1 1 21 8560 1 1 21 SER H H -4.098 3.283 0.749 1.00 . A A . 21 SER H 1 1 21 8561 1 1 21 SER HA H -5.439 5.666 -0.294 1.00 . A A . 21 SER HA 1 1 21 8562 1 1 21 SER HB3 H -7.171 3.984 -1.316 1.00 . A A . 21 SER HB3 1 1 21 8563 1 1 21 SER HG H -4.755 4.905 -2.379 1.00 . A A . 21 SER HG 1 1 21 8564 1 1 21 SER N N -4.160 4.047 0.080 1.00 . A A . 21 SER N 1 1 21 8565 1 1 21 SER O O -6.088 3.338 1.798 1.00 . A A . 21 SER O 1 1 21 8566 1 1 21 SER OG O -5.646 4.555 -2.533 1.00 . A A . 21 SER OG 1 1 21 8567 1 1 22 TYR C C -7.016 5.086 3.895 1.00 . A A . 22 TYR C 1 1 21 8568 1 1 22 TYR CA C -7.999 5.178 2.715 1.00 . A A . 22 TYR CA 1 1 21 8569 1 1 22 TYR CB C -9.025 4.030 2.733 1.00 . A A . 22 TYR CB 1 1 21 8570 1 1 22 TYR CD1 C -9.924 3.742 0.374 1.00 . A A . 22 TYR CD1 1 1 21 8571 1 1 22 TYR CD2 C -11.439 4.503 2.117 1.00 . A A . 22 TYR CD2 1 1 21 8572 1 1 22 TYR CE1 C -10.988 3.719 -0.545 1.00 . A A . 22 TYR CE1 1 1 21 8573 1 1 22 TYR CE2 C -12.503 4.483 1.199 1.00 . A A . 22 TYR CE2 1 1 21 8574 1 1 22 TYR CG C -10.145 4.128 1.710 1.00 . A A . 22 TYR CG 1 1 21 8575 1 1 22 TYR CZ C -12.278 4.094 -0.132 1.00 . A A . 22 TYR CZ 1 1 21 8576 1 1 22 TYR H H -7.434 6.003 0.833 1.00 . A A . 22 TYR H 1 1 21 8577 1 1 22 TYR HA H -8.544 6.117 2.820 1.00 . A A . 22 TYR HA 1 1 21 8578 1 1 22 TYR HB3 H -9.486 4.007 3.721 1.00 . A A . 22 TYR HB3 1 1 21 8579 1 1 22 TYR HD1 H -8.941 3.449 0.050 1.00 . A A . 22 TYR HD1 1 1 21 8580 1 1 22 TYR HD2 H -11.629 4.785 3.143 1.00 . A A . 22 TYR HD2 1 1 21 8581 1 1 22 TYR HE1 H -10.806 3.426 -1.568 1.00 . A A . 22 TYR HE1 1 1 21 8582 1 1 22 TYR HE2 H -13.498 4.758 1.517 1.00 . A A . 22 TYR HE2 1 1 21 8583 1 1 22 TYR HH H -13.063 3.814 -1.901 1.00 . A A . 22 TYR HH 1 1 21 8584 1 1 22 TYR N N -7.269 5.217 1.446 1.00 . A A . 22 TYR N 1 1 21 8585 1 1 22 TYR O O -7.231 4.331 4.841 1.00 . A A . 22 TYR O 1 1 21 8586 1 1 22 TYR OH O -13.319 4.068 -1.012 1.00 . A A . 22 TYR OH 1 1 21 8587 1 1 23 GLY C C -4.246 4.416 5.079 1.00 . A A . 23 GLY C 1 1 21 8588 1 1 23 GLY CA C -4.830 5.806 4.803 1.00 . A A . 23 GLY CA 1 1 21 8589 1 1 23 GLY H H -5.785 6.421 3.007 1.00 . A A . 23 GLY H 1 1 21 8590 1 1 23 GLY HA2 H -4.028 6.450 4.442 1.00 . A A . 23 GLY HA2 1 1 21 8591 1 1 23 GLY HA3 H -5.216 6.215 5.737 1.00 . A A . 23 GLY HA3 1 1 21 8592 1 1 23 GLY N N -5.900 5.820 3.808 1.00 . A A . 23 GLY N 1 1 21 8593 1 1 23 GLY O O -3.558 4.231 6.083 1.00 . A A . 23 GLY O 1 1 21 8594 1 1 24 THR C C -3.299 1.651 3.156 1.00 . A A . 24 THR C 1 1 21 8595 1 1 24 THR CA C -4.195 2.042 4.330 1.00 . A A . 24 THR CA 1 1 21 8596 1 1 24 THR CB C -5.514 1.254 4.314 1.00 . A A . 24 THR CB 1 1 21 8597 1 1 24 THR CG2 C -5.318 -0.251 4.517 1.00 . A A . 24 THR CG2 1 1 21 8598 1 1 24 THR H H -5.006 3.695 3.349 1.00 . A A . 24 THR H 1 1 21 8599 1 1 24 THR HA H -3.684 1.866 5.272 1.00 . A A . 24 THR HA 1 1 21 8600 1 1 24 THR HB H -6.016 1.396 3.356 1.00 . A A . 24 THR HB 1 1 21 8601 1 1 24 THR HG1 H -6.591 2.648 5.171 1.00 . A A . 24 THR HG1 1 1 21 8602 1 1 24 THR HG21 H -4.874 -0.441 5.492 1.00 . A A . 24 THR HG21 1 1 21 8603 1 1 24 THR HG22 H -6.289 -0.746 4.474 1.00 . A A . 24 THR HG22 1 1 21 8604 1 1 24 THR HG23 H -4.680 -0.670 3.739 1.00 . A A . 24 THR HG23 1 1 21 8605 1 1 24 THR N N -4.503 3.454 4.190 1.00 . A A . 24 THR N 1 1 21 8606 1 1 24 THR O O -3.556 2.072 2.028 1.00 . A A . 24 THR O 1 1 21 8607 1 1 24 THR OG1 O -6.361 1.725 5.343 1.00 . A A . 24 THR OG1 1 1 21 8608 1 1 25 CYS C C -2.036 -1.041 1.946 1.00 . A A . 25 CYS C 1 1 21 8609 1 1 25 CYS CA C -1.426 0.311 2.339 1.00 . A A . 25 CYS CA 1 1 21 8610 1 1 25 CYS CB C 0.070 0.369 2.702 1.00 . A A . 25 CYS CB 1 1 21 8611 1 1 25 CYS H H -2.128 0.486 4.341 1.00 . A A . 25 CYS H 1 1 21 8612 1 1 25 CYS HA H -1.497 0.954 1.464 1.00 . A A . 25 CYS HA 1 1 21 8613 1 1 25 CYS HB3 H 0.208 0.906 3.638 1.00 . A A . 25 CYS HB3 1 1 21 8614 1 1 25 CYS N N -2.252 0.863 3.406 1.00 . A A . 25 CYS N 1 1 21 8615 1 1 25 CYS O O -1.811 -2.081 2.557 1.00 . A A . 25 CYS O 1 1 21 8616 1 1 25 CYS SG S 1.027 -1.139 2.794 1.00 . A A . 25 CYS SG 1 1 21 8617 1 1 26 TYR C C -2.549 -2.890 -0.470 1.00 . A A . 26 TYR C 1 1 21 8618 1 1 26 TYR CA C -3.578 -2.135 0.358 1.00 . A A . 26 TYR CA 1 1 21 8619 1 1 26 TYR CB C -4.666 -1.632 -0.593 1.00 . A A . 26 TYR CB 1 1 21 8620 1 1 26 TYR CD1 C -6.157 0.160 0.406 1.00 . A A . 26 TYR CD1 1 1 21 8621 1 1 26 TYR CD2 C -7.057 -2.069 0.044 1.00 . A A . 26 TYR CD2 1 1 21 8622 1 1 26 TYR CE1 C -7.464 0.655 0.552 1.00 . A A . 26 TYR CE1 1 1 21 8623 1 1 26 TYR CE2 C -8.359 -1.569 0.186 1.00 . A A . 26 TYR CE2 1 1 21 8624 1 1 26 TYR CG C -5.960 -1.187 0.054 1.00 . A A . 26 TYR CG 1 1 21 8625 1 1 26 TYR CZ C -8.567 -0.198 0.378 1.00 . A A . 26 TYR CZ 1 1 21 8626 1 1 26 TYR H H -3.006 -0.104 0.454 1.00 . A A . 26 TYR H 1 1 21 8627 1 1 26 TYR HA H -4.009 -2.779 1.127 1.00 . A A . 26 TYR HA 1 1 21 8628 1 1 26 TYR HB3 H -4.939 -2.439 -1.264 1.00 . A A . 26 TYR HB3 1 1 21 8629 1 1 26 TYR HD1 H -5.318 0.841 0.433 1.00 . A A . 26 TYR HD1 1 1 21 8630 1 1 26 TYR HD2 H -6.916 -3.110 -0.213 1.00 . A A . 26 TYR HD2 1 1 21 8631 1 1 26 TYR HE1 H -7.616 1.709 0.702 1.00 . A A . 26 TYR HE1 1 1 21 8632 1 1 26 TYR HE2 H -9.202 -2.229 0.039 1.00 . A A . 26 TYR HE2 1 1 21 8633 1 1 26 TYR HH H -9.957 1.166 0.390 1.00 . A A . 26 TYR HH 1 1 21 8634 1 1 26 TYR N N -2.923 -0.985 0.953 1.00 . A A . 26 TYR N 1 1 21 8635 1 1 26 TYR O O -1.917 -2.262 -1.320 1.00 . A A . 26 TYR O 1 1 21 8636 1 1 26 TYR OH O -9.747 0.335 -0.053 1.00 . A A . 26 TYR OH 1 1 21 8637 1 1 27 CYS C C -2.389 -5.916 -2.061 1.00 . A A . 27 CYS C 1 1 21 8638 1 1 27 CYS CA C -1.566 -5.050 -1.121 1.00 . A A . 27 CYS CA 1 1 21 8639 1 1 27 CYS CB C -0.522 -5.843 -0.329 1.00 . A A . 27 CYS CB 1 1 21 8640 1 1 27 CYS H H -2.980 -4.680 0.413 1.00 . A A . 27 CYS H 1 1 21 8641 1 1 27 CYS HA H -1.016 -4.386 -1.752 1.00 . A A . 27 CYS HA 1 1 21 8642 1 1 27 CYS HB3 H 0.190 -6.259 -1.043 1.00 . A A . 27 CYS HB3 1 1 21 8643 1 1 27 CYS N N -2.418 -4.213 -0.282 1.00 . A A . 27 CYS N 1 1 21 8644 1 1 27 CYS O O -3.456 -6.396 -1.681 1.00 . A A . 27 CYS O 1 1 21 8645 1 1 27 CYS SG S 0.449 -4.834 0.805 1.00 . A A . 27 CYS SG 1 1 21 8646 1 1 28 LYS C C -2.691 -8.216 -4.269 1.00 . A A . 28 LYS C 1 1 21 8647 1 1 28 LYS CA C -2.693 -6.686 -4.376 1.00 . A A . 28 LYS CA 1 1 21 8648 1 1 28 LYS CB C -2.082 -6.197 -5.696 1.00 . A A . 28 LYS CB 1 1 21 8649 1 1 28 LYS CD C -2.380 -6.420 -8.216 1.00 . A A . 28 LYS CD 1 1 21 8650 1 1 28 LYS CE C -2.031 -7.858 -8.640 1.00 . A A . 28 LYS CE 1 1 21 8651 1 1 28 LYS CG C -3.075 -6.352 -6.849 1.00 . A A . 28 LYS CG 1 1 21 8652 1 1 28 LYS H H -1.017 -5.727 -3.589 1.00 . A A . 28 LYS H 1 1 21 8653 1 1 28 LYS HA H -3.721 -6.321 -4.312 1.00 . A A . 28 LYS HA 1 1 21 8654 1 1 28 LYS HB3 H -1.147 -6.723 -5.880 1.00 . A A . 28 LYS HB3 1 1 21 8655 1 1 28 LYS HD3 H -1.495 -5.779 -8.212 1.00 . A A . 28 LYS HD3 1 1 21 8656 1 1 28 LYS HE3 H -1.504 -7.820 -9.596 1.00 . A A . 28 LYS HE3 1 1 21 8657 1 1 28 LYS HG3 H -3.707 -5.462 -6.807 1.00 . A A . 28 LYS HG3 1 1 21 8658 1 1 28 LYS HZ1 H -1.691 -8.663 -6.769 1.00 . A A . 28 LYS HZ1 1 1 21 8659 1 1 28 LYS HZ2 H -0.973 -9.501 -7.982 1.00 . A A . 28 LYS HZ2 1 1 21 8660 1 1 28 LYS HZ3 H -0.337 -8.068 -7.484 1.00 . A A . 28 LYS HZ3 1 1 21 8661 1 1 28 LYS N N -1.917 -6.095 -3.303 1.00 . A A . 28 LYS N 1 1 21 8662 1 1 28 LYS NZ N -1.194 -8.572 -7.653 1.00 . A A . 28 LYS NZ 1 1 21 8663 1 1 28 LYS O O -2.322 -8.905 -5.224 1.00 . A A . 28 LYS O 1 1 21 8664 1 1 29 THR C C -4.324 -10.533 -2.059 1.00 . A A . 29 THR C 1 1 21 8665 1 1 29 THR CA C -3.015 -10.139 -2.748 1.00 . A A . 29 THR CA 1 1 21 8666 1 1 29 THR CB C -1.779 -10.336 -1.849 1.00 . A A . 29 THR CB 1 1 21 8667 1 1 29 THR CG2 C -1.400 -11.815 -1.721 1.00 . A A . 29 THR CG2 1 1 21 8668 1 1 29 THR H H -3.415 -8.086 -2.398 1.00 . A A . 29 THR H 1 1 21 8669 1 1 29 THR HA H -2.900 -10.756 -3.640 1.00 . A A . 29 THR HA 1 1 21 8670 1 1 29 THR HB H -1.980 -9.925 -0.857 1.00 . A A . 29 THR HB 1 1 21 8671 1 1 29 THR HG1 H 0.083 -9.757 -1.817 1.00 . A A . 29 THR HG1 1 1 21 8672 1 1 29 THR HG21 H -2.223 -12.382 -1.285 1.00 . A A . 29 THR HG21 1 1 21 8673 1 1 29 THR HG22 H -1.163 -12.226 -2.701 1.00 . A A . 29 THR HG22 1 1 21 8674 1 1 29 THR HG23 H -0.529 -11.917 -1.072 1.00 . A A . 29 THR HG23 1 1 21 8675 1 1 29 THR N N -3.114 -8.735 -3.116 1.00 . A A . 29 THR N 1 1 21 8676 1 1 29 THR O O -4.339 -10.923 -0.894 1.00 . A A . 29 THR O 1 1 21 8677 1 1 29 THR OG1 O -0.672 -9.645 -2.400 1.00 . A A . 29 THR OG1 1 1 21 8678 1 1 30 THR C C -7.752 -10.805 -3.441 1.00 . A A . 30 THR C 1 1 21 8679 1 1 30 THR CA C -6.772 -10.671 -2.271 1.00 . A A . 30 THR CA 1 1 21 8680 1 1 30 THR CB C -7.191 -9.631 -1.209 1.00 . A A . 30 THR CB 1 1 21 8681 1 1 30 THR CG2 C -7.090 -8.172 -1.668 1.00 . A A . 30 THR CG2 1 1 21 8682 1 1 30 THR H H -5.344 -10.065 -3.734 1.00 . A A . 30 THR H 1 1 21 8683 1 1 30 THR HA H -6.739 -11.644 -1.777 1.00 . A A . 30 THR HA 1 1 21 8684 1 1 30 THR HB H -6.541 -9.745 -0.340 1.00 . A A . 30 THR HB 1 1 21 8685 1 1 30 THR HG1 H -8.567 -10.741 -0.385 1.00 . A A . 30 THR HG1 1 1 21 8686 1 1 30 THR HG21 H -7.301 -7.523 -0.819 1.00 . A A . 30 THR HG21 1 1 21 8687 1 1 30 THR HG22 H -6.087 -7.943 -2.031 1.00 . A A . 30 THR HG22 1 1 21 8688 1 1 30 THR HG23 H -7.822 -7.958 -2.445 1.00 . A A . 30 THR HG23 1 1 21 8689 1 1 30 THR N N -5.436 -10.383 -2.781 1.00 . A A . 30 THR N 1 1 21 8690 1 1 30 THR O O -8.438 -11.815 -3.566 1.00 . A A . 30 THR O 1 1 21 8691 1 1 30 THR OG1 O -8.515 -9.867 -0.781 1.00 . A A . 30 THR OG1 1 1 21 8692 1 1 31 NH2 HN1 H -7.237 -8.988 -4.212 1.00 . A A . 31 NH2 HN1 1 1 21 8693 1 1 31 NH2 HN2 H -8.431 -9.902 -5.115 1.00 . A A . 31 NH2 HN2 1 1 21 8694 1 1 31 NH2 N N -7.795 -9.819 -4.337 1.00 . A A . 31 NH2 N 1 1 22 8695 1 1 1 PCA C C -0.246 8.968 7.536 1.00 . A A . 1 PCA C 1 1 22 8696 1 1 1 PCA CA C 0.797 9.536 6.576 1.00 . A A . 1 PCA CA 1 1 22 8697 1 1 1 PCA CB C 2.015 10.107 7.314 1.00 . A A . 1 PCA CB 1 1 22 8698 1 1 1 PCA CD C 0.585 11.823 6.435 1.00 . A A . 1 PCA CD 1 1 22 8699 1 1 1 PCA CG C 1.608 11.565 7.529 1.00 . A A . 1 PCA CG 1 1 22 8700 1 1 1 PCA HA H 1.119 8.766 5.878 1.00 . A A . 1 PCA HA 1 1 22 8701 1 1 1 PCA HB2 H 2.879 10.075 6.650 1.00 . A A . 1 PCA HB2 1 1 22 8702 1 1 1 PCA HB3 H 2.243 9.586 8.247 1.00 . A A . 1 PCA HB3 1 1 22 8703 1 1 1 PCA HG2 H 1.131 11.689 8.503 1.00 . A A . 1 PCA HG2 1 1 22 8704 1 1 1 PCA HG3 H 2.466 12.230 7.443 1.00 . A A . 1 PCA HG3 1 1 22 8705 1 1 1 PCA N N 0.215 10.668 5.883 1.00 . A A . 1 PCA N 1 1 22 8706 1 1 1 PCA O O -0.329 9.397 8.683 1.00 . A A . 1 PCA O 1 1 22 8707 1 1 1 PCA OE O 0.283 12.950 6.078 1.00 . A A . 1 PCA OE 1 1 22 8708 1 1 2 THR C C -1.200 5.888 8.139 1.00 . A A . 2 THR C 1 1 22 8709 1 1 2 THR CA C -1.931 7.208 7.879 1.00 . A A . 2 THR CA 1 1 22 8710 1 1 2 THR CB C -3.309 7.115 7.201 1.00 . A A . 2 THR CB 1 1 22 8711 1 1 2 THR CG2 C -4.387 6.572 8.148 1.00 . A A . 2 THR CG2 1 1 22 8712 1 1 2 THR H H -0.898 7.706 6.098 1.00 . A A . 2 THR H 1 1 22 8713 1 1 2 THR HA H -2.092 7.650 8.856 1.00 . A A . 2 THR HA 1 1 22 8714 1 1 2 THR HB H -3.228 6.509 6.303 1.00 . A A . 2 THR HB 1 1 22 8715 1 1 2 THR HG1 H -2.997 8.859 6.391 1.00 . A A . 2 THR HG1 1 1 22 8716 1 1 2 THR HG21 H -4.474 7.228 9.016 1.00 . A A . 2 THR HG21 1 1 22 8717 1 1 2 THR HG22 H -5.347 6.554 7.636 1.00 . A A . 2 THR HG22 1 1 22 8718 1 1 2 THR HG23 H -4.157 5.565 8.492 1.00 . A A . 2 THR HG23 1 1 22 8719 1 1 2 THR N N -1.044 8.016 7.052 1.00 . A A . 2 THR N 1 1 22 8720 1 1 2 THR O O -0.085 5.904 8.653 1.00 . A A . 2 THR O 1 1 22 8721 1 1 2 THR OG1 O -3.733 8.404 6.806 1.00 . A A . 2 THR OG1 1 1 22 8722 1 1 3 GLN C C 0.104 3.573 6.694 1.00 . A A . 3 GLN C 1 1 22 8723 1 1 3 GLN CA C -1.019 3.492 7.737 1.00 . A A . 3 GLN CA 1 1 22 8724 1 1 3 GLN CB C -1.958 2.317 7.451 1.00 . A A . 3 GLN CB 1 1 22 8725 1 1 3 GLN CD C -4.156 1.260 8.193 1.00 . A A . 3 GLN CD 1 1 22 8726 1 1 3 GLN CG C -3.110 2.272 8.459 1.00 . A A . 3 GLN CG 1 1 22 8727 1 1 3 GLN H H -2.678 4.779 7.302 1.00 . A A . 3 GLN H 1 1 22 8728 1 1 3 GLN HA H -0.569 3.337 8.719 1.00 . A A . 3 GLN HA 1 1 22 8729 1 1 3 GLN HB3 H -1.399 1.380 7.494 1.00 . A A . 3 GLN HB3 1 1 22 8730 1 1 3 GLN HE21 H -4.903 1.779 10.021 1.00 . A A . 3 GLN HE21 1 1 22 8731 1 1 3 GLN HE22 H -5.684 0.521 9.133 1.00 . A A . 3 GLN HE22 1 1 22 8732 1 1 3 GLN HG3 H -3.721 3.163 8.478 1.00 . A A . 3 GLN HG3 1 1 22 8733 1 1 3 GLN N N -1.767 4.748 7.739 1.00 . A A . 3 GLN N 1 1 22 8734 1 1 3 GLN NE2 N -4.992 1.195 9.203 1.00 . A A . 3 GLN NE2 1 1 22 8735 1 1 3 GLN O O 1.169 2.989 6.867 1.00 . A A . 3 GLN O 1 1 22 8736 1 1 3 GLN OE1 O -4.240 0.590 7.168 1.00 . A A . 3 GLN OE1 1 1 22 8737 1 1 4 CYS C C 0.538 6.202 4.294 1.00 . A A . 4 CYS C 1 1 22 8738 1 1 4 CYS CA C 0.813 4.743 4.615 1.00 . A A . 4 CYS CA 1 1 22 8739 1 1 4 CYS CB C 0.664 3.928 3.332 1.00 . A A . 4 CYS CB 1 1 22 8740 1 1 4 CYS H H -1.056 4.764 5.542 1.00 . A A . 4 CYS H 1 1 22 8741 1 1 4 CYS HA H 1.836 4.637 4.979 1.00 . A A . 4 CYS HA 1 1 22 8742 1 1 4 CYS HB3 H 1.015 2.927 3.530 1.00 . A A . 4 CYS HB3 1 1 22 8743 1 1 4 CYS N N -0.153 4.317 5.615 1.00 . A A . 4 CYS N 1 1 22 8744 1 1 4 CYS O O -0.535 6.725 4.603 1.00 . A A . 4 CYS O 1 1 22 8745 1 1 4 CYS SG S -1.020 3.864 2.661 1.00 . A A . 4 CYS SG 1 1 22 8746 1 1 5 GLN C C 1.166 7.915 1.517 1.00 . A A . 5 GLN C 1 1 22 8747 1 1 5 GLN CA C 1.403 8.129 3.011 1.00 . A A . 5 GLN CA 1 1 22 8748 1 1 5 GLN CB C 2.715 8.897 3.210 1.00 . A A . 5 GLN CB 1 1 22 8749 1 1 5 GLN CD C 3.831 11.025 2.425 1.00 . A A . 5 GLN CD 1 1 22 8750 1 1 5 GLN CG C 2.529 10.386 2.893 1.00 . A A . 5 GLN CG 1 1 22 8751 1 1 5 GLN H H 2.364 6.304 3.449 1.00 . A A . 5 GLN H 1 1 22 8752 1 1 5 GLN HA H 0.584 8.714 3.431 1.00 . A A . 5 GLN HA 1 1 22 8753 1 1 5 GLN HB3 H 3.478 8.470 2.556 1.00 . A A . 5 GLN HB3 1 1 22 8754 1 1 5 GLN HE21 H 3.685 10.150 0.576 1.00 . A A . 5 GLN HE21 1 1 22 8755 1 1 5 GLN HE22 H 5.091 11.169 0.861 1.00 . A A . 5 GLN HE22 1 1 22 8756 1 1 5 GLN HG3 H 2.173 10.900 3.786 1.00 . A A . 5 GLN HG3 1 1 22 8757 1 1 5 GLN N N 1.515 6.836 3.657 1.00 . A A . 5 GLN N 1 1 22 8758 1 1 5 GLN NE2 N 4.233 10.757 1.186 1.00 . A A . 5 GLN NE2 1 1 22 8759 1 1 5 GLN O O 0.425 8.669 0.885 1.00 . A A . 5 GLN O 1 1 22 8760 1 1 5 GLN OE1 O 4.473 11.758 3.170 1.00 . A A . 5 GLN OE1 1 1 22 8761 1 1 6 SER C C 2.366 5.407 -0.879 1.00 . A A . 6 SER C 1 1 22 8762 1 1 6 SER CA C 1.971 6.838 -0.530 1.00 . A A . 6 SER CA 1 1 22 8763 1 1 6 SER CB C 3.015 7.845 -1.034 1.00 . A A . 6 SER CB 1 1 22 8764 1 1 6 SER H H 2.459 6.330 1.486 1.00 . A A . 6 SER H 1 1 22 8765 1 1 6 SER HA H 1.006 7.057 -0.989 1.00 . A A . 6 SER HA 1 1 22 8766 1 1 6 SER HB3 H 3.048 7.823 -2.124 1.00 . A A . 6 SER HB3 1 1 22 8767 1 1 6 SER HG H 1.752 9.199 -0.406 1.00 . A A . 6 SER HG 1 1 22 8768 1 1 6 SER N N 1.867 6.952 0.918 1.00 . A A . 6 SER N 1 1 22 8769 1 1 6 SER O O 2.950 4.723 -0.050 1.00 . A A . 6 SER O 1 1 22 8770 1 1 6 SER OG O 2.701 9.160 -0.601 1.00 . A A . 6 SER OG 1 1 22 8771 1 1 7 VAL C C 3.595 2.957 -2.066 1.00 . A A . 7 VAL C 1 1 22 8772 1 1 7 VAL CA C 2.231 3.533 -2.473 1.00 . A A . 7 VAL CA 1 1 22 8773 1 1 7 VAL CB C 1.933 3.415 -3.975 1.00 . A A . 7 VAL CB 1 1 22 8774 1 1 7 VAL CG1 C 3.027 4.022 -4.864 1.00 . A A . 7 VAL CG1 1 1 22 8775 1 1 7 VAL CG2 C 1.693 1.956 -4.342 1.00 . A A . 7 VAL CG2 1 1 22 8776 1 1 7 VAL H H 1.546 5.488 -2.750 1.00 . A A . 7 VAL H 1 1 22 8777 1 1 7 VAL HA H 1.480 2.950 -1.931 1.00 . A A . 7 VAL HA 1 1 22 8778 1 1 7 VAL HB H 1.002 3.946 -4.179 1.00 . A A . 7 VAL HB 1 1 22 8779 1 1 7 VAL HG11 H 3.213 5.058 -4.580 1.00 . A A . 7 VAL HG11 1 1 22 8780 1 1 7 VAL HG12 H 3.952 3.451 -4.784 1.00 . A A . 7 VAL HG12 1 1 22 8781 1 1 7 VAL HG13 H 2.698 3.999 -5.904 1.00 . A A . 7 VAL HG13 1 1 22 8782 1 1 7 VAL HG21 H 2.600 1.376 -4.177 1.00 . A A . 7 VAL HG21 1 1 22 8783 1 1 7 VAL HG22 H 0.890 1.573 -3.716 1.00 . A A . 7 VAL HG22 1 1 22 8784 1 1 7 VAL HG23 H 1.399 1.892 -5.388 1.00 . A A . 7 VAL HG23 1 1 22 8785 1 1 7 VAL N N 2.050 4.925 -2.085 1.00 . A A . 7 VAL N 1 1 22 8786 1 1 7 VAL O O 3.671 1.802 -1.658 1.00 . A A . 7 VAL O 1 1 22 8787 1 1 8 ARG C C 6.039 2.757 -0.309 1.00 . A A . 8 ARG C 1 1 22 8788 1 1 8 ARG CA C 6.001 3.409 -1.700 1.00 . A A . 8 ARG CA 1 1 22 8789 1 1 8 ARG CB C 6.889 4.657 -1.768 1.00 . A A . 8 ARG CB 1 1 22 8790 1 1 8 ARG CD C 9.271 5.460 -1.960 1.00 . A A . 8 ARG CD 1 1 22 8791 1 1 8 ARG CG C 8.357 4.237 -1.820 1.00 . A A . 8 ARG CG 1 1 22 8792 1 1 8 ARG CZ C 11.264 4.594 -3.202 1.00 . A A . 8 ARG CZ 1 1 22 8793 1 1 8 ARG H H 4.532 4.690 -2.500 1.00 . A A . 8 ARG H 1 1 22 8794 1 1 8 ARG HA H 6.372 2.684 -2.419 1.00 . A A . 8 ARG HA 1 1 22 8795 1 1 8 ARG HB3 H 6.702 5.298 -0.903 1.00 . A A . 8 ARG HB3 1 1 22 8796 1 1 8 ARG HD3 H 9.165 6.069 -1.059 1.00 . A A . 8 ARG HD3 1 1 22 8797 1 1 8 ARG HE H 11.247 5.182 -1.253 1.00 . A A . 8 ARG HE 1 1 22 8798 1 1 8 ARG HG3 H 8.472 3.569 -2.674 1.00 . A A . 8 ARG HG3 1 1 22 8799 1 1 8 ARG HH11 H 9.541 4.601 -4.277 1.00 . A A . 8 ARG HH11 1 1 22 8800 1 1 8 ARG HH12 H 10.932 4.060 -5.166 1.00 . A A . 8 ARG HH12 1 1 22 8801 1 1 8 ARG HH21 H 13.128 4.437 -2.377 1.00 . A A . 8 ARG HH21 1 1 22 8802 1 1 8 ARG HH22 H 13.025 3.947 -4.036 1.00 . A A . 8 ARG HH22 1 1 22 8803 1 1 8 ARG N N 4.661 3.763 -2.132 1.00 . A A . 8 ARG N 1 1 22 8804 1 1 8 ARG NE N 10.685 5.067 -2.086 1.00 . A A . 8 ARG NE 1 1 22 8805 1 1 8 ARG NH1 N 10.533 4.410 -4.308 1.00 . A A . 8 ARG NH1 1 1 22 8806 1 1 8 ARG NH2 N 12.571 4.305 -3.209 1.00 . A A . 8 ARG NH2 1 1 22 8807 1 1 8 ARG O O 6.759 1.780 -0.107 1.00 . A A . 8 ARG O 1 1 22 8808 1 1 9 ASP C C 4.680 1.225 1.791 1.00 . A A . 9 ASP C 1 1 22 8809 1 1 9 ASP CA C 5.073 2.691 1.956 1.00 . A A . 9 ASP CA 1 1 22 8810 1 1 9 ASP CB C 3.968 3.500 2.645 1.00 . A A . 9 ASP CB 1 1 22 8811 1 1 9 ASP CG C 4.422 4.899 3.016 1.00 . A A . 9 ASP CG 1 1 22 8812 1 1 9 ASP H H 4.610 4.030 0.432 1.00 . A A . 9 ASP H 1 1 22 8813 1 1 9 ASP HA H 5.998 2.758 2.528 1.00 . A A . 9 ASP HA 1 1 22 8814 1 1 9 ASP HB3 H 3.568 3.021 3.522 1.00 . A A . 9 ASP HB3 1 1 22 8815 1 1 9 ASP N N 5.252 3.274 0.641 1.00 . A A . 9 ASP N 1 1 22 8816 1 1 9 ASP O O 5.334 0.313 2.308 1.00 . A A . 9 ASP O 1 1 22 8817 1 1 9 ASP OD1 O 5.438 5.012 3.727 1.00 . A A . 9 ASP OD1 1 1 22 8818 1 1 9 ASP OD2 O 3.716 5.834 2.577 1.00 . A A . 9 ASP OD2 1 1 22 8819 1 1 10 CYS C C 4.353 -1.111 -0.065 1.00 . A A . 10 CYS C 1 1 22 8820 1 1 10 CYS CA C 3.258 -0.373 0.694 1.00 . A A . 10 CYS CA 1 1 22 8821 1 1 10 CYS CB C 1.919 -0.543 -0.034 1.00 . A A . 10 CYS CB 1 1 22 8822 1 1 10 CYS H H 3.226 1.754 0.470 1.00 . A A . 10 CYS H 1 1 22 8823 1 1 10 CYS HA H 3.180 -0.877 1.656 1.00 . A A . 10 CYS HA 1 1 22 8824 1 1 10 CYS HB3 H 2.196 -0.826 -1.008 1.00 . A A . 10 CYS HB3 1 1 22 8825 1 1 10 CYS N N 3.635 0.990 0.992 1.00 . A A . 10 CYS N 1 1 22 8826 1 1 10 CYS O O 4.489 -2.302 0.145 1.00 . A A . 10 CYS O 1 1 22 8827 1 1 10 CYS SG S 0.843 -1.803 0.705 1.00 . A A . 10 CYS SG 1 1 22 8828 1 1 11 GLN C C 7.170 -1.798 -0.777 1.00 . A A . 11 GLN C 1 1 22 8829 1 1 11 GLN CA C 6.142 -1.179 -1.728 1.00 . A A . 11 GLN CA 1 1 22 8830 1 1 11 GLN CB C 6.836 -0.279 -2.757 1.00 . A A . 11 GLN CB 1 1 22 8831 1 1 11 GLN CD C 6.640 0.991 -4.925 1.00 . A A . 11 GLN CD 1 1 22 8832 1 1 11 GLN CG C 5.890 0.187 -3.869 1.00 . A A . 11 GLN CG 1 1 22 8833 1 1 11 GLN H H 4.909 0.505 -1.161 1.00 . A A . 11 GLN H 1 1 22 8834 1 1 11 GLN HA H 5.676 -1.997 -2.281 1.00 . A A . 11 GLN HA 1 1 22 8835 1 1 11 GLN HB3 H 7.635 -0.859 -3.218 1.00 . A A . 11 GLN HB3 1 1 22 8836 1 1 11 GLN HE21 H 7.312 -0.701 -5.836 1.00 . A A . 11 GLN HE21 1 1 22 8837 1 1 11 GLN HE22 H 7.801 0.817 -6.567 1.00 . A A . 11 GLN HE22 1 1 22 8838 1 1 11 GLN HG3 H 5.102 0.807 -3.453 1.00 . A A . 11 GLN HG3 1 1 22 8839 1 1 11 GLN N N 5.099 -0.474 -0.977 1.00 . A A . 11 GLN N 1 1 22 8840 1 1 11 GLN NE2 N 7.310 0.309 -5.848 1.00 . A A . 11 GLN NE2 1 1 22 8841 1 1 11 GLN O O 7.708 -2.865 -1.055 1.00 . A A . 11 GLN O 1 1 22 8842 1 1 11 GLN OE1 O 6.632 2.219 -4.910 1.00 . A A . 11 GLN OE1 1 1 22 8843 1 1 12 GLN C C 7.556 -2.929 2.024 1.00 . A A . 12 GLN C 1 1 22 8844 1 1 12 GLN CA C 8.274 -1.728 1.392 1.00 . A A . 12 GLN CA 1 1 22 8845 1 1 12 GLN CB C 8.641 -0.672 2.444 1.00 . A A . 12 GLN CB 1 1 22 8846 1 1 12 GLN CD C 9.811 1.547 2.837 1.00 . A A . 12 GLN CD 1 1 22 8847 1 1 12 GLN CG C 9.449 0.475 1.819 1.00 . A A . 12 GLN CG 1 1 22 8848 1 1 12 GLN H H 7.010 -0.231 0.507 1.00 . A A . 12 GLN H 1 1 22 8849 1 1 12 GLN HA H 9.202 -2.090 0.945 1.00 . A A . 12 GLN HA 1 1 22 8850 1 1 12 GLN HB3 H 9.248 -1.144 3.219 1.00 . A A . 12 GLN HB3 1 1 22 8851 1 1 12 GLN HE21 H 7.854 1.881 3.294 1.00 . A A . 12 GLN HE21 1 1 22 8852 1 1 12 GLN HE22 H 9.022 2.865 4.152 1.00 . A A . 12 GLN HE22 1 1 22 8853 1 1 12 GLN HG3 H 8.882 0.951 1.020 1.00 . A A . 12 GLN HG3 1 1 22 8854 1 1 12 GLN N N 7.447 -1.134 0.349 1.00 . A A . 12 GLN N 1 1 22 8855 1 1 12 GLN NE2 N 8.811 2.143 3.480 1.00 . A A . 12 GLN NE2 1 1 22 8856 1 1 12 GLN O O 8.163 -3.973 2.242 1.00 . A A . 12 GLN O 1 1 22 8857 1 1 12 GLN OE1 O 10.981 1.851 3.039 1.00 . A A . 12 GLN OE1 1 1 22 8858 1 1 13 TYR C C 5.243 -5.074 2.248 1.00 . A A . 13 TYR C 1 1 22 8859 1 1 13 TYR CA C 5.489 -3.788 3.055 1.00 . A A . 13 TYR CA 1 1 22 8860 1 1 13 TYR CB C 4.144 -3.164 3.445 1.00 . A A . 13 TYR CB 1 1 22 8861 1 1 13 TYR CD1 C 3.855 -4.338 5.680 1.00 . A A . 13 TYR CD1 1 1 22 8862 1 1 13 TYR CD2 C 2.001 -4.343 4.106 1.00 . A A . 13 TYR CD2 1 1 22 8863 1 1 13 TYR CE1 C 3.101 -5.120 6.571 1.00 . A A . 13 TYR CE1 1 1 22 8864 1 1 13 TYR CE2 C 1.246 -5.124 4.996 1.00 . A A . 13 TYR CE2 1 1 22 8865 1 1 13 TYR CG C 3.319 -3.970 4.432 1.00 . A A . 13 TYR CG 1 1 22 8866 1 1 13 TYR CZ C 1.799 -5.523 6.222 1.00 . A A . 13 TYR CZ 1 1 22 8867 1 1 13 TYR H H 5.833 -1.873 2.148 1.00 . A A . 13 TYR H 1 1 22 8868 1 1 13 TYR HA H 6.042 -4.051 3.958 1.00 . A A . 13 TYR HA 1 1 22 8869 1 1 13 TYR HB3 H 3.562 -3.020 2.536 1.00 . A A . 13 TYR HB3 1 1 22 8870 1 1 13 TYR HD1 H 4.849 -4.022 5.962 1.00 . A A . 13 TYR HD1 1 1 22 8871 1 1 13 TYR HD2 H 1.566 -4.033 3.172 1.00 . A A . 13 TYR HD2 1 1 22 8872 1 1 13 TYR HE1 H 3.529 -5.410 7.518 1.00 . A A . 13 TYR HE1 1 1 22 8873 1 1 13 TYR HE2 H 0.240 -5.417 4.735 1.00 . A A . 13 TYR HE2 1 1 22 8874 1 1 13 TYR HH H 1.536 -6.513 7.881 1.00 . A A . 13 TYR HH 1 1 22 8875 1 1 13 TYR N N 6.268 -2.772 2.345 1.00 . A A . 13 TYR N 1 1 22 8876 1 1 13 TYR O O 5.236 -6.173 2.796 1.00 . A A . 13 TYR O 1 1 22 8877 1 1 13 TYR OH O 1.064 -6.290 7.077 1.00 . A A . 13 TYR OH 1 1 22 8878 1 1 14 CYS C C 5.105 -5.814 -1.282 1.00 . A A . 14 CYS C 1 1 22 8879 1 1 14 CYS CA C 4.364 -5.881 0.043 1.00 . A A . 14 CYS CA 1 1 22 8880 1 1 14 CYS CB C 2.885 -5.531 -0.200 1.00 . A A . 14 CYS CB 1 1 22 8881 1 1 14 CYS H H 5.075 -3.970 0.617 1.00 . A A . 14 CYS H 1 1 22 8882 1 1 14 CYS HA H 4.438 -6.889 0.455 1.00 . A A . 14 CYS HA 1 1 22 8883 1 1 14 CYS HB3 H 2.512 -5.939 -1.146 1.00 . A A . 14 CYS HB3 1 1 22 8884 1 1 14 CYS N N 4.955 -4.910 0.959 1.00 . A A . 14 CYS N 1 1 22 8885 1 1 14 CYS O O 5.388 -4.728 -1.778 1.00 . A A . 14 CYS O 1 1 22 8886 1 1 14 CYS SG S 1.789 -6.150 1.106 1.00 . A A . 14 CYS SG 1 1 22 8887 1 1 15 LEU C C 5.174 -6.350 -4.246 1.00 . A A . 15 LEU C 1 1 22 8888 1 1 15 LEU CA C 6.037 -7.042 -3.183 1.00 . A A . 15 LEU CA 1 1 22 8889 1 1 15 LEU CB C 6.335 -8.514 -3.528 1.00 . A A . 15 LEU CB 1 1 22 8890 1 1 15 LEU CD1 C 7.557 -7.975 -5.724 1.00 . A A . 15 LEU CD1 1 1 22 8891 1 1 15 LEU CD2 C 8.882 -8.478 -3.650 1.00 . A A . 15 LEU CD2 1 1 22 8892 1 1 15 LEU CG C 7.576 -8.758 -4.408 1.00 . A A . 15 LEU CG 1 1 22 8893 1 1 15 LEU H H 5.132 -7.835 -1.421 1.00 . A A . 15 LEU H 1 1 22 8894 1 1 15 LEU HA H 6.975 -6.494 -3.090 1.00 . A A . 15 LEU HA 1 1 22 8895 1 1 15 LEU HB3 H 5.464 -8.950 -4.019 1.00 . A A . 15 LEU HB3 1 1 22 8896 1 1 15 LEU HD11 H 7.736 -6.917 -5.542 1.00 . A A . 15 LEU HD11 1 1 22 8897 1 1 15 LEU HD12 H 8.350 -8.348 -6.376 1.00 . A A . 15 LEU HD12 1 1 22 8898 1 1 15 LEU HD13 H 6.600 -8.108 -6.228 1.00 . A A . 15 LEU HD13 1 1 22 8899 1 1 15 LEU HD21 H 9.730 -8.783 -4.264 1.00 . A A . 15 LEU HD21 1 1 22 8900 1 1 15 LEU HD22 H 8.984 -7.417 -3.421 1.00 . A A . 15 LEU HD22 1 1 22 8901 1 1 15 LEU HD23 H 8.903 -9.047 -2.721 1.00 . A A . 15 LEU HD23 1 1 22 8902 1 1 15 LEU HG H 7.575 -9.820 -4.660 1.00 . A A . 15 LEU HG 1 1 22 8903 1 1 15 LEU N N 5.372 -6.974 -1.888 1.00 . A A . 15 LEU N 1 1 22 8904 1 1 15 LEU O O 5.677 -5.545 -5.025 1.00 . A A . 15 LEU O 1 1 22 8905 1 1 16 THR C C 1.740 -5.418 -4.561 1.00 . A A . 16 THR C 1 1 22 8906 1 1 16 THR CA C 2.929 -6.101 -5.245 1.00 . A A . 16 THR CA 1 1 22 8907 1 1 16 THR CB C 2.447 -7.212 -6.189 1.00 . A A . 16 THR CB 1 1 22 8908 1 1 16 THR CG2 C 1.704 -6.612 -7.386 1.00 . A A . 16 THR CG2 1 1 22 8909 1 1 16 THR H H 3.514 -7.302 -3.581 1.00 . A A . 16 THR H 1 1 22 8910 1 1 16 THR HA H 3.423 -5.349 -5.860 1.00 . A A . 16 THR HA 1 1 22 8911 1 1 16 THR HB H 1.775 -7.885 -5.651 1.00 . A A . 16 THR HB 1 1 22 8912 1 1 16 THR HG1 H 4.037 -8.307 -5.941 1.00 . A A . 16 THR HG1 1 1 22 8913 1 1 16 THR HG21 H 2.373 -5.952 -7.938 1.00 . A A . 16 THR HG21 1 1 22 8914 1 1 16 THR HG22 H 1.369 -7.414 -8.044 1.00 . A A . 16 THR HG22 1 1 22 8915 1 1 16 THR HG23 H 0.839 -6.042 -7.049 1.00 . A A . 16 THR HG23 1 1 22 8916 1 1 16 THR N N 3.868 -6.655 -4.270 1.00 . A A . 16 THR N 1 1 22 8917 1 1 16 THR O O 0.664 -6.012 -4.439 1.00 . A A . 16 THR O 1 1 22 8918 1 1 16 THR OG1 O 3.549 -7.945 -6.684 1.00 . A A . 16 THR OG1 1 1 22 8919 1 1 17 PRO C C -0.276 -3.089 -4.608 1.00 . A A . 17 PRO C 1 1 22 8920 1 1 17 PRO CA C 0.780 -3.442 -3.567 1.00 . A A . 17 PRO CA 1 1 22 8921 1 1 17 PRO CB C 1.344 -2.241 -2.808 1.00 . A A . 17 PRO CB 1 1 22 8922 1 1 17 PRO CD C 3.064 -3.660 -3.445 1.00 . A A . 17 PRO CD 1 1 22 8923 1 1 17 PRO CG C 2.828 -2.222 -3.110 1.00 . A A . 17 PRO CG 1 1 22 8924 1 1 17 PRO HA H 0.409 -4.141 -2.836 1.00 . A A . 17 PRO HA 1 1 22 8925 1 1 17 PRO HB3 H 1.132 -2.369 -1.756 1.00 . A A . 17 PRO HB3 1 1 22 8926 1 1 17 PRO HD3 H 3.011 -4.073 -2.464 1.00 . A A . 17 PRO HD3 1 1 22 8927 1 1 17 PRO HG3 H 3.436 -1.953 -2.264 1.00 . A A . 17 PRO HG3 1 1 22 8928 1 1 17 PRO N N 1.893 -4.165 -4.109 1.00 . A A . 17 PRO N 1 1 22 8929 1 1 17 PRO O O -0.016 -3.105 -5.810 1.00 . A A . 17 PRO O 1 1 22 8930 1 1 18 ASP C C -2.406 -0.732 -4.946 1.00 . A A . 18 ASP C 1 1 22 8931 1 1 18 ASP CA C -2.559 -2.249 -4.927 1.00 . A A . 18 ASP CA 1 1 22 8932 1 1 18 ASP CB C -3.922 -2.689 -4.362 1.00 . A A . 18 ASP CB 1 1 22 8933 1 1 18 ASP CG C -5.037 -2.620 -5.399 1.00 . A A . 18 ASP CG 1 1 22 8934 1 1 18 ASP H H -1.597 -2.736 -3.120 1.00 . A A . 18 ASP H 1 1 22 8935 1 1 18 ASP HA H -2.444 -2.627 -5.939 1.00 . A A . 18 ASP HA 1 1 22 8936 1 1 18 ASP HB3 H -4.197 -2.065 -3.517 1.00 . A A . 18 ASP HB3 1 1 22 8937 1 1 18 ASP N N -1.478 -2.779 -4.122 1.00 . A A . 18 ASP N 1 1 22 8938 1 1 18 ASP O O -2.209 -0.141 -6.007 1.00 . A A . 18 ASP O 1 1 22 8939 1 1 18 ASP OD1 O -4.776 -3.051 -6.543 1.00 . A A . 18 ASP OD1 1 1 22 8940 1 1 18 ASP OD2 O -6.139 -2.145 -5.041 1.00 . A A . 18 ASP OD2 1 1 22 8941 1 1 19 ARG C C -2.149 1.659 -2.155 1.00 . A A . 19 ARG C 1 1 22 8942 1 1 19 ARG CA C -2.465 1.335 -3.609 1.00 . A A . 19 ARG CA 1 1 22 8943 1 1 19 ARG CB C -3.832 1.954 -3.959 1.00 . A A . 19 ARG CB 1 1 22 8944 1 1 19 ARG CD C -6.341 1.463 -4.450 1.00 . A A . 19 ARG CD 1 1 22 8945 1 1 19 ARG CG C -5.009 0.989 -3.860 1.00 . A A . 19 ARG CG 1 1 22 8946 1 1 19 ARG CZ C -8.108 0.102 -5.608 1.00 . A A . 19 ARG CZ 1 1 22 8947 1 1 19 ARG H H -2.775 -0.617 -2.932 1.00 . A A . 19 ARG H 1 1 22 8948 1 1 19 ARG HA H -1.688 1.761 -4.248 1.00 . A A . 19 ARG HA 1 1 22 8949 1 1 19 ARG HB3 H -3.794 2.417 -4.947 1.00 . A A . 19 ARG HB3 1 1 22 8950 1 1 19 ARG HD3 H -6.141 1.970 -5.397 1.00 . A A . 19 ARG HD3 1 1 22 8951 1 1 19 ARG HE H -6.690 -0.617 -4.423 1.00 . A A . 19 ARG HE 1 1 22 8952 1 1 19 ARG HG3 H -5.098 0.659 -2.835 1.00 . A A . 19 ARG HG3 1 1 22 8953 1 1 19 ARG HH11 H -8.591 2.067 -5.669 1.00 . A A . 19 ARG HH11 1 1 22 8954 1 1 19 ARG HH12 H -9.530 1.061 -6.738 1.00 . A A . 19 ARG HH12 1 1 22 8955 1 1 19 ARG HH21 H -7.634 -1.832 -5.768 1.00 . A A . 19 ARG HH21 1 1 22 8956 1 1 19 ARG HH22 H -9.041 -1.370 -6.737 1.00 . A A . 19 ARG HH22 1 1 22 8957 1 1 19 ARG N N -2.503 -0.106 -3.766 1.00 . A A . 19 ARG N 1 1 22 8958 1 1 19 ARG NE N -7.138 0.259 -4.703 1.00 . A A . 19 ARG NE 1 1 22 8959 1 1 19 ARG NH1 N -8.801 1.156 -6.049 1.00 . A A . 19 ARG NH1 1 1 22 8960 1 1 19 ARG NH2 N -8.333 -1.131 -6.061 1.00 . A A . 19 ARG NH2 1 1 22 8961 1 1 19 ARG O O -2.510 0.898 -1.263 1.00 . A A . 19 ARG O 1 1 22 8962 1 1 20 CYS C C -3.207 4.297 -0.940 1.00 . A A . 20 CYS C 1 1 22 8963 1 1 20 CYS CA C -1.903 3.552 -0.677 1.00 . A A . 20 CYS CA 1 1 22 8964 1 1 20 CYS CB C -0.780 4.511 -0.288 1.00 . A A . 20 CYS CB 1 1 22 8965 1 1 20 CYS H H -1.394 3.428 -2.714 1.00 . A A . 20 CYS H 1 1 22 8966 1 1 20 CYS HA H -2.041 2.854 0.143 1.00 . A A . 20 CYS HA 1 1 22 8967 1 1 20 CYS HB3 H -0.629 5.235 -1.085 1.00 . A A . 20 CYS HB3 1 1 22 8968 1 1 20 CYS N N -1.599 2.849 -1.914 1.00 . A A . 20 CYS N 1 1 22 8969 1 1 20 CYS O O -3.262 5.123 -1.850 1.00 . A A . 20 CYS O 1 1 22 8970 1 1 20 CYS SG S -1.145 5.387 1.250 1.00 . A A . 20 CYS SG 1 1 22 8971 1 1 21 SER C C -6.496 4.231 0.685 1.00 . A A . 21 SER C 1 1 22 8972 1 1 21 SER CA C -5.619 4.441 -0.545 1.00 . A A . 21 SER CA 1 1 22 8973 1 1 21 SER CB C -6.176 3.740 -1.793 1.00 . A A . 21 SER CB 1 1 22 8974 1 1 21 SER H H -4.246 3.205 0.451 1.00 . A A . 21 SER H 1 1 22 8975 1 1 21 SER HA H -5.561 5.517 -0.725 1.00 . A A . 21 SER HA 1 1 22 8976 1 1 21 SER HB3 H -7.261 3.750 -1.735 1.00 . A A . 21 SER HB3 1 1 22 8977 1 1 21 SER HG H -4.863 4.793 -2.781 1.00 . A A . 21 SER HG 1 1 22 8978 1 1 21 SER N N -4.294 3.927 -0.263 1.00 . A A . 21 SER N 1 1 22 8979 1 1 21 SER O O -6.288 3.282 1.429 1.00 . A A . 21 SER O 1 1 22 8980 1 1 21 SER OG O -5.762 4.464 -2.934 1.00 . A A . 21 SER OG 1 1 22 8981 1 1 22 TYR C C -7.495 5.054 3.416 1.00 . A A . 22 TYR C 1 1 22 8982 1 1 22 TYR CA C -8.308 5.097 2.109 1.00 . A A . 22 TYR CA 1 1 22 8983 1 1 22 TYR CB C -9.308 3.946 1.972 1.00 . A A . 22 TYR CB 1 1 22 8984 1 1 22 TYR CD1 C -11.625 4.918 2.248 1.00 . A A . 22 TYR CD1 1 1 22 8985 1 1 22 TYR CD2 C -10.809 3.367 3.938 1.00 . A A . 22 TYR CD2 1 1 22 8986 1 1 22 TYR CE1 C -12.855 5.008 2.922 1.00 . A A . 22 TYR CE1 1 1 22 8987 1 1 22 TYR CE2 C -12.038 3.460 4.612 1.00 . A A . 22 TYR CE2 1 1 22 8988 1 1 22 TYR CG C -10.598 4.101 2.754 1.00 . A A . 22 TYR CG 1 1 22 8989 1 1 22 TYR CZ C -13.060 4.276 4.105 1.00 . A A . 22 TYR CZ 1 1 22 8990 1 1 22 TYR H H -7.568 5.905 0.284 1.00 . A A . 22 TYR H 1 1 22 8991 1 1 22 TYR HA H -8.907 5.994 2.120 1.00 . A A . 22 TYR HA 1 1 22 8992 1 1 22 TYR HB3 H -8.791 3.058 2.301 1.00 . A A . 22 TYR HB3 1 1 22 8993 1 1 22 TYR HD1 H -11.478 5.467 1.328 1.00 . A A . 22 TYR HD1 1 1 22 8994 1 1 22 TYR HD2 H -10.029 2.729 4.330 1.00 . A A . 22 TYR HD2 1 1 22 8995 1 1 22 TYR HE1 H -13.639 5.631 2.520 1.00 . A A . 22 TYR HE1 1 1 22 8996 1 1 22 TYR HE2 H -12.198 2.896 5.519 1.00 . A A . 22 TYR HE2 1 1 22 8997 1 1 22 TYR HH H -14.888 4.921 4.322 1.00 . A A . 22 TYR HH 1 1 22 8998 1 1 22 TYR N N -7.443 5.141 0.932 1.00 . A A . 22 TYR N 1 1 22 8999 1 1 22 TYR O O -7.925 4.480 4.412 1.00 . A A . 22 TYR O 1 1 22 9000 1 1 22 TYR OH O -14.257 4.344 4.755 1.00 . A A . 22 TYR OH 1 1 22 9001 1 1 23 GLY C C -4.735 4.323 4.854 1.00 . A A . 23 GLY C 1 1 22 9002 1 1 23 GLY CA C -5.399 5.676 4.556 1.00 . A A . 23 GLY CA 1 1 22 9003 1 1 23 GLY H H -6.001 6.124 2.568 1.00 . A A . 23 GLY H 1 1 22 9004 1 1 23 GLY HA2 H -4.615 6.406 4.353 1.00 . A A . 23 GLY HA2 1 1 22 9005 1 1 23 GLY HA3 H -5.953 6.000 5.435 1.00 . A A . 23 GLY HA3 1 1 22 9006 1 1 23 GLY N N -6.299 5.656 3.409 1.00 . A A . 23 GLY N 1 1 22 9007 1 1 23 GLY O O -4.032 4.204 5.862 1.00 . A A . 23 GLY O 1 1 22 9008 1 1 24 THR C C -3.553 1.634 2.914 1.00 . A A . 24 THR C 1 1 22 9009 1 1 24 THR CA C -4.454 1.962 4.100 1.00 . A A . 24 THR CA 1 1 22 9010 1 1 24 THR CB C -5.668 1.020 4.171 1.00 . A A . 24 THR CB 1 1 22 9011 1 1 24 THR CG2 C -5.294 -0.463 4.084 1.00 . A A . 24 THR CG2 1 1 22 9012 1 1 24 THR H H -5.489 3.516 3.161 1.00 . A A . 24 THR H 1 1 22 9013 1 1 24 THR HA H -3.875 1.846 5.010 1.00 . A A . 24 THR HA 1 1 22 9014 1 1 24 THR HB H -6.357 1.249 3.354 1.00 . A A . 24 THR HB 1 1 22 9015 1 1 24 THR HG1 H -5.707 1.015 6.111 1.00 . A A . 24 THR HG1 1 1 22 9016 1 1 24 THR HG21 H -6.182 -1.068 4.277 1.00 . A A . 24 THR HG21 1 1 22 9017 1 1 24 THR HG22 H -4.929 -0.707 3.087 1.00 . A A . 24 THR HG22 1 1 22 9018 1 1 24 THR HG23 H -4.530 -0.711 4.821 1.00 . A A . 24 THR HG23 1 1 22 9019 1 1 24 THR N N -4.930 3.331 3.979 1.00 . A A . 24 THR N 1 1 22 9020 1 1 24 THR O O -3.846 2.005 1.776 1.00 . A A . 24 THR O 1 1 22 9021 1 1 24 THR OG1 O -6.326 1.232 5.402 1.00 . A A . 24 THR OG1 1 1 22 9022 1 1 25 CYS C C -2.322 -0.964 1.702 1.00 . A A . 25 CYS C 1 1 22 9023 1 1 25 CYS CA C -1.644 0.349 2.106 1.00 . A A . 25 CYS CA 1 1 22 9024 1 1 25 CYS CB C -0.151 0.319 2.488 1.00 . A A . 25 CYS CB 1 1 22 9025 1 1 25 CYS H H -2.267 0.625 4.116 1.00 . A A . 25 CYS H 1 1 22 9026 1 1 25 CYS HA H -1.676 1.007 1.242 1.00 . A A . 25 CYS HA 1 1 22 9027 1 1 25 CYS HB3 H 0.003 0.888 3.402 1.00 . A A . 25 CYS HB3 1 1 22 9028 1 1 25 CYS N N -2.451 0.927 3.170 1.00 . A A . 25 CYS N 1 1 22 9029 1 1 25 CYS O O -2.167 -2.011 2.326 1.00 . A A . 25 CYS O 1 1 22 9030 1 1 25 CYS SG S 0.698 -1.244 2.690 1.00 . A A . 25 CYS SG 1 1 22 9031 1 1 26 TYR C C -2.837 -2.792 -0.655 1.00 . A A . 26 TYR C 1 1 22 9032 1 1 26 TYR CA C -3.880 -2.000 0.111 1.00 . A A . 26 TYR CA 1 1 22 9033 1 1 26 TYR CB C -4.938 -1.486 -0.874 1.00 . A A . 26 TYR CB 1 1 22 9034 1 1 26 TYR CD1 C -7.194 -1.960 0.155 1.00 . A A . 26 TYR CD1 1 1 22 9035 1 1 26 TYR CD2 C -6.489 0.355 -0.081 1.00 . A A . 26 TYR CD2 1 1 22 9036 1 1 26 TYR CE1 C -8.443 -1.535 0.638 1.00 . A A . 26 TYR CE1 1 1 22 9037 1 1 26 TYR CE2 C -7.769 0.778 0.322 1.00 . A A . 26 TYR CE2 1 1 22 9038 1 1 26 TYR CG C -6.221 -1.017 -0.221 1.00 . A A . 26 TYR CG 1 1 22 9039 1 1 26 TYR CZ C -8.735 -0.163 0.708 1.00 . A A . 26 TYR CZ 1 1 22 9040 1 1 26 TYR H H -3.228 0.009 0.188 1.00 . A A . 26 TYR H 1 1 22 9041 1 1 26 TYR HA H -4.344 -2.618 0.881 1.00 . A A . 26 TYR HA 1 1 22 9042 1 1 26 TYR HB3 H -5.217 -2.303 -1.538 1.00 . A A . 26 TYR HB3 1 1 22 9043 1 1 26 TYR HD1 H -6.993 -3.017 0.053 1.00 . A A . 26 TYR HD1 1 1 22 9044 1 1 26 TYR HD2 H -5.720 1.080 -0.295 1.00 . A A . 26 TYR HD2 1 1 22 9045 1 1 26 TYR HE1 H -9.183 -2.269 0.919 1.00 . A A . 26 TYR HE1 1 1 22 9046 1 1 26 TYR HE2 H -8.014 1.826 0.354 1.00 . A A . 26 TYR HE2 1 1 22 9047 1 1 26 TYR HH H -10.536 -0.450 1.403 1.00 . A A . 26 TYR HH 1 1 22 9048 1 1 26 TYR N N -3.198 -0.866 0.702 1.00 . A A . 26 TYR N 1 1 22 9049 1 1 26 TYR O O -2.191 -2.209 -1.526 1.00 . A A . 26 TYR O 1 1 22 9050 1 1 26 TYR OH O -9.961 0.264 1.121 1.00 . A A . 26 TYR OH 1 1 22 9051 1 1 27 CYS C C -2.621 -5.650 -2.248 1.00 . A A . 27 CYS C 1 1 22 9052 1 1 27 CYS CA C -1.809 -4.939 -1.177 1.00 . A A . 27 CYS CA 1 1 22 9053 1 1 27 CYS CB C -0.928 -5.889 -0.359 1.00 . A A . 27 CYS CB 1 1 22 9054 1 1 27 CYS H H -3.251 -4.531 0.337 1.00 . A A . 27 CYS H 1 1 22 9055 1 1 27 CYS HA H -1.124 -4.270 -1.656 1.00 . A A . 27 CYS HA 1 1 22 9056 1 1 27 CYS HB3 H -0.207 -6.349 -1.041 1.00 . A A . 27 CYS HB3 1 1 22 9057 1 1 27 CYS N N -2.679 -4.092 -0.371 1.00 . A A . 27 CYS N 1 1 22 9058 1 1 27 CYS O O -3.780 -5.980 -2.009 1.00 . A A . 27 CYS O 1 1 22 9059 1 1 27 CYS SG S 0.052 -5.032 0.883 1.00 . A A . 27 CYS SG 1 1 22 9060 1 1 28 LYS C C -2.882 -8.049 -4.037 1.00 . A A . 28 LYS C 1 1 22 9061 1 1 28 LYS CA C -2.798 -6.586 -4.464 1.00 . A A . 28 LYS CA 1 1 22 9062 1 1 28 LYS CB C -2.116 -6.357 -5.821 1.00 . A A . 28 LYS CB 1 1 22 9063 1 1 28 LYS CD C -2.561 -6.017 -8.313 1.00 . A A . 28 LYS CD 1 1 22 9064 1 1 28 LYS CE C -1.992 -4.593 -8.467 1.00 . A A . 28 LYS CE 1 1 22 9065 1 1 28 LYS CG C -3.169 -6.308 -6.930 1.00 . A A . 28 LYS CG 1 1 22 9066 1 1 28 LYS H H -1.091 -5.667 -3.654 1.00 . A A . 28 LYS H 1 1 22 9067 1 1 28 LYS HA H -3.808 -6.173 -4.502 1.00 . A A . 28 LYS HA 1 1 22 9068 1 1 28 LYS HB3 H -1.377 -7.133 -6.021 1.00 . A A . 28 LYS HB3 1 1 22 9069 1 1 28 LYS HD3 H -3.327 -6.182 -9.073 1.00 . A A . 28 LYS HD3 1 1 22 9070 1 1 28 LYS HE3 H -1.510 -4.520 -9.445 1.00 . A A . 28 LYS HE3 1 1 22 9071 1 1 28 LYS HG3 H -3.906 -5.551 -6.668 1.00 . A A . 28 LYS HG3 1 1 22 9072 1 1 28 LYS HZ1 H -3.558 -3.587 -7.509 1.00 . A A . 28 LYS HZ1 1 1 22 9073 1 1 28 LYS HZ2 H -2.604 -2.626 -8.405 1.00 . A A . 28 LYS HZ2 1 1 22 9074 1 1 28 LYS HZ3 H -3.699 -3.617 -9.127 1.00 . A A . 28 LYS HZ3 1 1 22 9075 1 1 28 LYS N N -2.056 -5.885 -3.437 1.00 . A A . 28 LYS N 1 1 22 9076 1 1 28 LYS NZ N -3.026 -3.542 -8.380 1.00 . A A . 28 LYS NZ 1 1 22 9077 1 1 28 LYS O O -3.964 -8.624 -3.932 1.00 . A A . 28 LYS O 1 1 22 9078 1 1 29 THR C C -2.074 -10.099 -1.723 1.00 . A A . 29 THR C 1 1 22 9079 1 1 29 THR CA C -1.620 -9.991 -3.192 1.00 . A A . 29 THR CA 1 1 22 9080 1 1 29 THR CB C -0.159 -10.440 -3.384 1.00 . A A . 29 THR CB 1 1 22 9081 1 1 29 THR CG2 C -0.033 -11.963 -3.495 1.00 . A A . 29 THR CG2 1 1 22 9082 1 1 29 THR H H -0.864 -8.132 -3.843 1.00 . A A . 29 THR H 1 1 22 9083 1 1 29 THR HA H -2.262 -10.632 -3.797 1.00 . A A . 29 THR HA 1 1 22 9084 1 1 29 THR HB H 0.446 -10.090 -2.545 1.00 . A A . 29 THR HB 1 1 22 9085 1 1 29 THR HG1 H -0.139 -10.166 -5.312 1.00 . A A . 29 THR HG1 1 1 22 9086 1 1 29 THR HG21 H 1.014 -12.230 -3.634 1.00 . A A . 29 THR HG21 1 1 22 9087 1 1 29 THR HG22 H -0.396 -12.439 -2.584 1.00 . A A . 29 THR HG22 1 1 22 9088 1 1 29 THR HG23 H -0.610 -12.332 -4.343 1.00 . A A . 29 THR HG23 1 1 22 9089 1 1 29 THR N N -1.732 -8.630 -3.694 1.00 . A A . 29 THR N 1 1 22 9090 1 1 29 THR O O -1.384 -10.709 -0.909 1.00 . A A . 29 THR O 1 1 22 9091 1 1 29 THR OG1 O 0.369 -9.852 -4.559 1.00 . A A . 29 THR OG1 1 1 22 9092 1 1 30 THR C C -4.393 -11.166 0.039 1.00 . A A . 30 THR C 1 1 22 9093 1 1 30 THR CA C -3.808 -9.752 -0.033 1.00 . A A . 30 THR CA 1 1 22 9094 1 1 30 THR CB C -4.828 -8.653 0.314 1.00 . A A . 30 THR CB 1 1 22 9095 1 1 30 THR CG2 C -5.347 -8.777 1.752 1.00 . A A . 30 THR CG2 1 1 22 9096 1 1 30 THR H H -3.810 -9.111 -2.084 1.00 . A A . 30 THR H 1 1 22 9097 1 1 30 THR HA H -3.010 -9.675 0.707 1.00 . A A . 30 THR HA 1 1 22 9098 1 1 30 THR HB H -5.674 -8.686 -0.377 1.00 . A A . 30 THR HB 1 1 22 9099 1 1 30 THR HG1 H -4.181 -7.105 -0.683 1.00 . A A . 30 THR HG1 1 1 22 9100 1 1 30 THR HG21 H -6.007 -7.936 1.969 1.00 . A A . 30 THR HG21 1 1 22 9101 1 1 30 THR HG22 H -5.910 -9.699 1.889 1.00 . A A . 30 THR HG22 1 1 22 9102 1 1 30 THR HG23 H -4.512 -8.758 2.453 1.00 . A A . 30 THR HG23 1 1 22 9103 1 1 30 THR N N -3.243 -9.552 -1.367 1.00 . A A . 30 THR N 1 1 22 9104 1 1 30 THR O O -5.604 -11.359 -0.009 1.00 . A A . 30 THR O 1 1 22 9105 1 1 30 THR OG1 O -4.198 -7.392 0.237 1.00 . A A . 30 THR OG1 1 1 22 9106 1 1 31 NH2 HN1 H -2.531 -11.952 0.081 1.00 . A A . 31 NH2 HN1 1 1 22 9107 1 1 31 NH2 HN2 H -3.854 -13.119 0.174 1.00 . A A . 31 NH2 HN2 1 1 22 9108 1 1 31 NH2 N N -3.522 -12.168 0.126 1.00 . A A . 31 NH2 N 1 1 23 9109 1 1 1 PCA C C -0.658 8.463 8.033 1.00 . A A . 1 PCA C 1 1 23 9110 1 1 1 PCA CA C 0.297 9.290 7.174 1.00 . A A . 1 PCA CA 1 1 23 9111 1 1 1 PCA CB C 1.374 9.953 8.042 1.00 . A A . 1 PCA CB 1 1 23 9112 1 1 1 PCA CD C -0.289 11.515 7.285 1.00 . A A . 1 PCA CD 1 1 23 9113 1 1 1 PCA CG C 0.725 11.292 8.394 1.00 . A A . 1 PCA CG 1 1 23 9114 1 1 1 PCA HA H 0.762 8.674 6.404 1.00 . A A . 1 PCA HA 1 1 23 9115 1 1 1 PCA HB2 H 2.263 10.134 7.433 1.00 . A A . 1 PCA HB2 1 1 23 9116 1 1 1 PCA HB3 H 1.636 9.366 8.925 1.00 . A A . 1 PCA HB3 1 1 23 9117 1 1 1 PCA HG2 H 0.202 11.223 9.348 1.00 . A A . 1 PCA HG2 1 1 23 9118 1 1 1 PCA HG3 H 1.466 12.092 8.427 1.00 . A A . 1 PCA HG3 1 1 23 9119 1 1 1 PCA N N -0.430 10.394 6.577 1.00 . A A . 1 PCA N 1 1 23 9120 1 1 1 PCA O O -1.325 8.999 8.916 1.00 . A A . 1 PCA O 1 1 23 9121 1 1 1 PCA OE O -0.741 12.617 7.027 1.00 . A A . 1 PCA OE 1 1 23 9122 1 1 2 THR C C -0.770 4.904 8.616 1.00 . A A . 2 THR C 1 1 23 9123 1 1 2 THR CA C -1.530 6.228 8.580 1.00 . A A . 2 THR CA 1 1 23 9124 1 1 2 THR CB C -2.976 6.206 8.062 1.00 . A A . 2 THR CB 1 1 23 9125 1 1 2 THR CG2 C -3.928 5.399 8.953 1.00 . A A . 2 THR CG2 1 1 23 9126 1 1 2 THR H H -0.259 6.791 6.967 1.00 . A A . 2 THR H 1 1 23 9127 1 1 2 THR HA H -1.578 6.531 9.615 1.00 . A A . 2 THR HA 1 1 23 9128 1 1 2 THR HB H -2.955 5.821 7.049 1.00 . A A . 2 THR HB 1 1 23 9129 1 1 2 THR HG1 H -2.918 8.110 8.508 1.00 . A A . 2 THR HG1 1 1 23 9130 1 1 2 THR HG21 H -3.954 5.835 9.952 1.00 . A A . 2 THR HG21 1 1 23 9131 1 1 2 THR HG22 H -4.931 5.437 8.529 1.00 . A A . 2 THR HG22 1 1 23 9132 1 1 2 THR HG23 H -3.625 4.355 9.031 1.00 . A A . 2 THR HG23 1 1 23 9133 1 1 2 THR N N -0.747 7.160 7.776 1.00 . A A . 2 THR N 1 1 23 9134 1 1 2 THR O O 0.327 4.862 9.167 1.00 . A A . 2 THR O 1 1 23 9135 1 1 2 THR OG1 O -3.490 7.521 7.993 1.00 . A A . 2 THR OG1 1 1 23 9136 1 1 3 GLN C C 0.739 3.106 6.844 1.00 . A A . 3 GLN C 1 1 23 9137 1 1 3 GLN CA C -0.445 2.675 7.709 1.00 . A A . 3 GLN CA 1 1 23 9138 1 1 3 GLN CB C -1.218 1.601 6.942 1.00 . A A . 3 GLN CB 1 1 23 9139 1 1 3 GLN CD C -2.958 -0.199 7.080 1.00 . A A . 3 GLN CD 1 1 23 9140 1 1 3 GLN CG C -2.323 0.944 7.768 1.00 . A A . 3 GLN CG 1 1 23 9141 1 1 3 GLN H H -2.197 3.936 7.570 1.00 . A A . 3 GLN H 1 1 23 9142 1 1 3 GLN HA H -0.069 2.252 8.644 1.00 . A A . 3 GLN HA 1 1 23 9143 1 1 3 GLN HB3 H -0.508 0.823 6.652 1.00 . A A . 3 GLN HB3 1 1 23 9144 1 1 3 GLN HE21 H -4.117 -0.365 8.750 1.00 . A A . 3 GLN HE21 1 1 23 9145 1 1 3 GLN HE22 H -4.179 -1.617 7.562 1.00 . A A . 3 GLN HE22 1 1 23 9146 1 1 3 GLN HG3 H -3.174 1.577 7.984 1.00 . A A . 3 GLN HG3 1 1 23 9147 1 1 3 GLN N N -1.280 3.844 7.989 1.00 . A A . 3 GLN N 1 1 23 9148 1 1 3 GLN NE2 N -3.874 -0.744 7.847 1.00 . A A . 3 GLN NE2 1 1 23 9149 1 1 3 GLN O O 1.867 2.651 7.031 1.00 . A A . 3 GLN O 1 1 23 9150 1 1 3 GLN OE1 O -2.638 -0.594 5.960 1.00 . A A . 3 GLN OE1 1 1 23 9151 1 1 4 CYS C C 1.016 5.979 4.686 1.00 . A A . 4 CYS C 1 1 23 9152 1 1 4 CYS CA C 1.317 4.500 4.866 1.00 . A A . 4 CYS CA 1 1 23 9153 1 1 4 CYS CB C 1.085 3.788 3.532 1.00 . A A . 4 CYS CB 1 1 23 9154 1 1 4 CYS H H -0.523 4.309 5.827 1.00 . A A . 4 CYS H 1 1 23 9155 1 1 4 CYS HA H 2.357 4.382 5.176 1.00 . A A . 4 CYS HA 1 1 23 9156 1 1 4 CYS HB3 H 1.454 2.775 3.605 1.00 . A A . 4 CYS HB3 1 1 23 9157 1 1 4 CYS N N 0.426 3.964 5.871 1.00 . A A . 4 CYS N 1 1 23 9158 1 1 4 CYS O O -0.020 6.470 5.137 1.00 . A A . 4 CYS O 1 1 23 9159 1 1 4 CYS SG S -0.630 3.754 2.934 1.00 . A A . 4 CYS SG 1 1 23 9160 1 1 5 GLN C C 1.585 7.902 1.943 1.00 . A A . 5 GLN C 1 1 23 9161 1 1 5 GLN CA C 1.796 7.998 3.460 1.00 . A A . 5 GLN CA 1 1 23 9162 1 1 5 GLN CB C 3.066 8.789 3.789 1.00 . A A . 5 GLN CB 1 1 23 9163 1 1 5 GLN CD C 4.028 11.135 3.796 1.00 . A A . 5 GLN CD 1 1 23 9164 1 1 5 GLN CG C 2.759 10.289 3.802 1.00 . A A . 5 GLN CG 1 1 23 9165 1 1 5 GLN H H 2.782 6.166 3.740 1.00 . A A . 5 GLN H 1 1 23 9166 1 1 5 GLN HA H 0.944 8.515 3.901 1.00 . A A . 5 GLN HA 1 1 23 9167 1 1 5 GLN HB3 H 3.839 8.567 3.050 1.00 . A A . 5 GLN HB3 1 1 23 9168 1 1 5 GLN HE21 H 4.846 10.069 5.328 1.00 . A A . 5 GLN HE21 1 1 23 9169 1 1 5 GLN HE22 H 5.813 11.388 4.694 1.00 . A A . 5 GLN HE22 1 1 23 9170 1 1 5 GLN HG3 H 2.174 10.534 4.688 1.00 . A A . 5 GLN HG3 1 1 23 9171 1 1 5 GLN N N 1.932 6.661 4.008 1.00 . A A . 5 GLN N 1 1 23 9172 1 1 5 GLN NE2 N 4.967 10.842 4.692 1.00 . A A . 5 GLN NE2 1 1 23 9173 1 1 5 GLN O O 0.810 8.669 1.379 1.00 . A A . 5 GLN O 1 1 23 9174 1 1 5 GLN OE1 O 4.171 12.047 2.990 1.00 . A A . 5 GLN OE1 1 1 23 9175 1 1 6 SER C C 2.560 5.364 -0.541 1.00 . A A . 6 SER C 1 1 23 9176 1 1 6 SER CA C 2.161 6.774 -0.164 1.00 . A A . 6 SER CA 1 1 23 9177 1 1 6 SER CB C 3.004 7.782 -0.957 1.00 . A A . 6 SER CB 1 1 23 9178 1 1 6 SER H H 2.870 6.311 1.790 1.00 . A A . 6 SER H 1 1 23 9179 1 1 6 SER HA H 1.116 6.897 -0.458 1.00 . A A . 6 SER HA 1 1 23 9180 1 1 6 SER HB3 H 2.392 8.661 -1.086 1.00 . A A . 6 SER HB3 1 1 23 9181 1 1 6 SER HG H 4.094 8.146 0.623 1.00 . A A . 6 SER HG 1 1 23 9182 1 1 6 SER N N 2.279 6.975 1.273 1.00 . A A . 6 SER N 1 1 23 9183 1 1 6 SER O O 2.962 4.557 0.284 1.00 . A A . 6 SER O 1 1 23 9184 1 1 6 SER OG O 4.240 8.046 -0.323 1.00 . A A . 6 SER OG 1 1 23 9185 1 1 7 VAL C C 4.104 3.229 -1.950 1.00 . A A . 7 VAL C 1 1 23 9186 1 1 7 VAL CA C 2.706 3.744 -2.349 1.00 . A A . 7 VAL CA 1 1 23 9187 1 1 7 VAL CB C 2.434 3.787 -3.859 1.00 . A A . 7 VAL CB 1 1 23 9188 1 1 7 VAL CG1 C 3.509 4.536 -4.650 1.00 . A A . 7 VAL CG1 1 1 23 9189 1 1 7 VAL CG2 C 2.283 2.370 -4.379 1.00 . A A . 7 VAL CG2 1 1 23 9190 1 1 7 VAL H H 2.106 5.779 -2.456 1.00 . A A . 7 VAL H 1 1 23 9191 1 1 7 VAL HA H 1.968 3.088 -1.882 1.00 . A A . 7 VAL HA 1 1 23 9192 1 1 7 VAL HB H 1.478 4.289 -4.020 1.00 . A A . 7 VAL HB 1 1 23 9193 1 1 7 VAL HG11 H 4.441 3.978 -4.607 1.00 . A A . 7 VAL HG11 1 1 23 9194 1 1 7 VAL HG12 H 3.200 4.621 -5.693 1.00 . A A . 7 VAL HG12 1 1 23 9195 1 1 7 VAL HG13 H 3.659 5.537 -4.245 1.00 . A A . 7 VAL HG13 1 1 23 9196 1 1 7 VAL HG21 H 2.028 2.403 -5.435 1.00 . A A . 7 VAL HG21 1 1 23 9197 1 1 7 VAL HG22 H 3.215 1.830 -4.229 1.00 . A A . 7 VAL HG22 1 1 23 9198 1 1 7 VAL HG23 H 1.480 1.895 -3.819 1.00 . A A . 7 VAL HG23 1 1 23 9199 1 1 7 VAL N N 2.446 5.065 -1.828 1.00 . A A . 7 VAL N 1 1 23 9200 1 1 7 VAL O O 4.258 2.047 -1.654 1.00 . A A . 7 VAL O 1 1 23 9201 1 1 8 ARG C C 6.396 3.043 -0.044 1.00 . A A . 8 ARG C 1 1 23 9202 1 1 8 ARG CA C 6.433 3.872 -1.336 1.00 . A A . 8 ARG CA 1 1 23 9203 1 1 8 ARG CB C 7.139 5.206 -1.038 1.00 . A A . 8 ARG CB 1 1 23 9204 1 1 8 ARG CD C 7.192 6.303 -3.389 1.00 . A A . 8 ARG CD 1 1 23 9205 1 1 8 ARG CG C 7.982 5.776 -2.185 1.00 . A A . 8 ARG CG 1 1 23 9206 1 1 8 ARG CZ C 6.670 5.422 -5.672 1.00 . A A . 8 ARG CZ 1 1 23 9207 1 1 8 ARG H H 4.870 5.073 -2.136 1.00 . A A . 8 ARG H 1 1 23 9208 1 1 8 ARG HA H 7.023 3.311 -2.060 1.00 . A A . 8 ARG HA 1 1 23 9209 1 1 8 ARG HB3 H 7.842 5.035 -0.219 1.00 . A A . 8 ARG HB3 1 1 23 9210 1 1 8 ARG HD3 H 7.845 7.037 -3.864 1.00 . A A . 8 ARG HD3 1 1 23 9211 1 1 8 ARG HE H 6.845 4.277 -4.016 1.00 . A A . 8 ARG HE 1 1 23 9212 1 1 8 ARG HG3 H 8.720 5.039 -2.508 1.00 . A A . 8 ARG HG3 1 1 23 9213 1 1 8 ARG HH11 H 6.754 7.453 -5.586 1.00 . A A . 8 ARG HH11 1 1 23 9214 1 1 8 ARG HH12 H 6.521 6.809 -7.182 1.00 . A A . 8 ARG HH12 1 1 23 9215 1 1 8 ARG HH21 H 6.496 3.442 -6.009 1.00 . A A . 8 ARG HH21 1 1 23 9216 1 1 8 ARG HH22 H 6.338 4.425 -7.452 1.00 . A A . 8 ARG HH22 1 1 23 9217 1 1 8 ARG N N 5.100 4.125 -1.886 1.00 . A A . 8 ARG N 1 1 23 9218 1 1 8 ARG NE N 6.870 5.238 -4.356 1.00 . A A . 8 ARG NE 1 1 23 9219 1 1 8 ARG NH1 N 6.648 6.653 -6.193 1.00 . A A . 8 ARG NH1 1 1 23 9220 1 1 8 ARG NH2 N 6.488 4.358 -6.457 1.00 . A A . 8 ARG NH2 1 1 23 9221 1 1 8 ARG O O 7.196 2.123 0.128 1.00 . A A . 8 ARG O 1 1 23 9222 1 1 9 ASP C C 4.961 1.245 1.842 1.00 . A A . 9 ASP C 1 1 23 9223 1 1 9 ASP CA C 5.355 2.683 2.144 1.00 . A A . 9 ASP CA 1 1 23 9224 1 1 9 ASP CB C 4.260 3.410 2.910 1.00 . A A . 9 ASP CB 1 1 23 9225 1 1 9 ASP CG C 4.696 4.788 3.364 1.00 . A A . 9 ASP CG 1 1 23 9226 1 1 9 ASP H H 4.816 4.110 0.723 1.00 . A A . 9 ASP H 1 1 23 9227 1 1 9 ASP HA H 6.278 2.704 2.723 1.00 . A A . 9 ASP HA 1 1 23 9228 1 1 9 ASP HB3 H 3.869 2.865 3.750 1.00 . A A . 9 ASP HB3 1 1 23 9229 1 1 9 ASP N N 5.506 3.385 0.887 1.00 . A A . 9 ASP N 1 1 23 9230 1 1 9 ASP O O 5.651 0.301 2.236 1.00 . A A . 9 ASP O 1 1 23 9231 1 1 9 ASP OD1 O 5.553 4.860 4.264 1.00 . A A . 9 ASP OD1 1 1 23 9232 1 1 9 ASP OD2 O 4.127 5.753 2.809 1.00 . A A . 9 ASP OD2 1 1 23 9233 1 1 10 CYS C C 4.539 -1.054 0.027 1.00 . A A . 10 CYS C 1 1 23 9234 1 1 10 CYS CA C 3.452 -0.286 0.759 1.00 . A A . 10 CYS CA 1 1 23 9235 1 1 10 CYS CB C 2.107 -0.428 0.041 1.00 . A A . 10 CYS CB 1 1 23 9236 1 1 10 CYS H H 3.382 1.867 0.720 1.00 . A A . 10 CYS H 1 1 23 9237 1 1 10 CYS HA H 3.345 -0.824 1.687 1.00 . A A . 10 CYS HA 1 1 23 9238 1 1 10 CYS HB3 H 2.391 -0.680 -0.939 1.00 . A A . 10 CYS HB3 1 1 23 9239 1 1 10 CYS N N 3.866 1.064 1.094 1.00 . A A . 10 CYS N 1 1 23 9240 1 1 10 CYS O O 4.650 -2.250 0.239 1.00 . A A . 10 CYS O 1 1 23 9241 1 1 10 CYS SG S 1.074 -1.767 0.704 1.00 . A A . 10 CYS SG 1 1 23 9242 1 1 11 GLN C C 7.376 -1.797 -0.577 1.00 . A A . 11 GLN C 1 1 23 9243 1 1 11 GLN CA C 6.402 -1.111 -1.547 1.00 . A A . 11 GLN CA 1 1 23 9244 1 1 11 GLN CB C 7.159 -0.158 -2.478 1.00 . A A . 11 GLN CB 1 1 23 9245 1 1 11 GLN CD C 7.057 1.295 -4.528 1.00 . A A . 11 GLN CD 1 1 23 9246 1 1 11 GLN CG C 6.317 0.263 -3.687 1.00 . A A . 11 GLN CG 1 1 23 9247 1 1 11 GLN H H 5.170 0.575 -1.011 1.00 . A A . 11 GLN H 1 1 23 9248 1 1 11 GLN HA H 5.943 -1.886 -2.167 1.00 . A A . 11 GLN HA 1 1 23 9249 1 1 11 GLN HB3 H 8.049 -0.670 -2.846 1.00 . A A . 11 GLN HB3 1 1 23 9250 1 1 11 GLN HE21 H 8.420 -0.082 -5.120 1.00 . A A . 11 GLN HE21 1 1 23 9251 1 1 11 GLN HE22 H 8.670 1.531 -5.742 1.00 . A A . 11 GLN HE22 1 1 23 9252 1 1 11 GLN HG3 H 5.372 0.687 -3.358 1.00 . A A . 11 GLN HG3 1 1 23 9253 1 1 11 GLN N N 5.333 -0.411 -0.835 1.00 . A A . 11 GLN N 1 1 23 9254 1 1 11 GLN NE2 N 8.129 0.882 -5.194 1.00 . A A . 11 GLN NE2 1 1 23 9255 1 1 11 GLN O O 8.037 -2.762 -0.951 1.00 . A A . 11 GLN O 1 1 23 9256 1 1 11 GLN OE1 O 6.676 2.464 -4.587 1.00 . A A . 11 GLN OE1 1 1 23 9257 1 1 12 GLN C C 7.481 -3.044 2.374 1.00 . A A . 12 GLN C 1 1 23 9258 1 1 12 GLN CA C 8.286 -1.930 1.697 1.00 . A A . 12 GLN CA 1 1 23 9259 1 1 12 GLN CB C 8.757 -0.864 2.693 1.00 . A A . 12 GLN CB 1 1 23 9260 1 1 12 GLN CD C 9.762 1.452 2.769 1.00 . A A . 12 GLN CD 1 1 23 9261 1 1 12 GLN CG C 9.711 0.131 2.015 1.00 . A A . 12 GLN CG 1 1 23 9262 1 1 12 GLN H H 6.912 -0.504 0.932 1.00 . A A . 12 GLN H 1 1 23 9263 1 1 12 GLN HA H 9.178 -2.381 1.257 1.00 . A A . 12 GLN HA 1 1 23 9264 1 1 12 GLN HB3 H 9.278 -1.341 3.524 1.00 . A A . 12 GLN HB3 1 1 23 9265 1 1 12 GLN HE21 H 8.246 2.208 1.636 1.00 . A A . 12 GLN HE21 1 1 23 9266 1 1 12 GLN HE22 H 8.864 3.260 2.906 1.00 . A A . 12 GLN HE22 1 1 23 9267 1 1 12 GLN HG3 H 9.398 0.339 0.992 1.00 . A A . 12 GLN HG3 1 1 23 9268 1 1 12 GLN N N 7.484 -1.299 0.660 1.00 . A A . 12 GLN N 1 1 23 9269 1 1 12 GLN NE2 N 8.895 2.390 2.396 1.00 . A A . 12 GLN NE2 1 1 23 9270 1 1 12 GLN O O 8.002 -4.132 2.601 1.00 . A A . 12 GLN O 1 1 23 9271 1 1 12 GLN OE1 O 10.570 1.633 3.672 1.00 . A A . 12 GLN OE1 1 1 23 9272 1 1 13 TYR C C 4.994 -4.969 2.442 1.00 . A A . 13 TYR C 1 1 23 9273 1 1 13 TYR CA C 5.348 -3.771 3.350 1.00 . A A . 13 TYR CA 1 1 23 9274 1 1 13 TYR CB C 4.063 -3.099 3.859 1.00 . A A . 13 TYR CB 1 1 23 9275 1 1 13 TYR CD1 C 4.552 -2.365 6.243 1.00 . A A . 13 TYR CD1 1 1 23 9276 1 1 13 TYR CD2 C 3.781 -0.702 4.658 1.00 . A A . 13 TYR CD2 1 1 23 9277 1 1 13 TYR CE1 C 4.400 -1.429 7.287 1.00 . A A . 13 TYR CE1 1 1 23 9278 1 1 13 TYR CE2 C 3.631 0.229 5.694 1.00 . A A . 13 TYR CE2 1 1 23 9279 1 1 13 TYR CG C 4.214 -2.016 4.922 1.00 . A A . 13 TYR CG 1 1 23 9280 1 1 13 TYR CZ C 3.905 -0.142 7.016 1.00 . A A . 13 TYR CZ 1 1 23 9281 1 1 13 TYR H H 5.828 -1.873 2.468 1.00 . A A . 13 TYR H 1 1 23 9282 1 1 13 TYR HA H 5.880 -4.168 4.216 1.00 . A A . 13 TYR HA 1 1 23 9283 1 1 13 TYR HB3 H 3.429 -3.877 4.288 1.00 . A A . 13 TYR HB3 1 1 23 9284 1 1 13 TYR HD1 H 4.857 -3.377 6.474 1.00 . A A . 13 TYR HD1 1 1 23 9285 1 1 13 TYR HD2 H 3.468 -0.401 3.682 1.00 . A A . 13 TYR HD2 1 1 23 9286 1 1 13 TYR HE1 H 4.608 -1.719 8.306 1.00 . A A . 13 TYR HE1 1 1 23 9287 1 1 13 TYR HE2 H 3.260 1.218 5.467 1.00 . A A . 13 TYR HE2 1 1 23 9288 1 1 13 TYR HH H 3.122 1.495 7.724 1.00 . A A . 13 TYR HH 1 1 23 9289 1 1 13 TYR N N 6.208 -2.787 2.693 1.00 . A A . 13 TYR N 1 1 23 9290 1 1 13 TYR O O 4.653 -6.034 2.952 1.00 . A A . 13 TYR O 1 1 23 9291 1 1 13 TYR OH O 3.609 0.717 8.032 1.00 . A A . 13 TYR OH 1 1 23 9292 1 1 14 CYS C C 5.225 -5.605 -1.169 1.00 . A A . 14 CYS C 1 1 23 9293 1 1 14 CYS CA C 4.431 -5.700 0.126 1.00 . A A . 14 CYS CA 1 1 23 9294 1 1 14 CYS CB C 2.976 -5.295 -0.166 1.00 . A A . 14 CYS CB 1 1 23 9295 1 1 14 CYS H H 5.362 -3.918 0.754 1.00 . A A . 14 CYS H 1 1 23 9296 1 1 14 CYS HA H 4.454 -6.729 0.490 1.00 . A A . 14 CYS HA 1 1 23 9297 1 1 14 CYS HB3 H 2.634 -5.700 -1.125 1.00 . A A . 14 CYS HB3 1 1 23 9298 1 1 14 CYS N N 5.016 -4.798 1.116 1.00 . A A . 14 CYS N 1 1 23 9299 1 1 14 CYS O O 5.574 -4.510 -1.599 1.00 . A A . 14 CYS O 1 1 23 9300 1 1 14 CYS SG S 1.811 -5.856 1.103 1.00 . A A . 14 CYS SG 1 1 23 9301 1 1 15 LEU C C 5.328 -6.050 -4.163 1.00 . A A . 15 LEU C 1 1 23 9302 1 1 15 LEU CA C 6.159 -6.786 -3.103 1.00 . A A . 15 LEU CA 1 1 23 9303 1 1 15 LEU CB C 6.442 -8.249 -3.490 1.00 . A A . 15 LEU CB 1 1 23 9304 1 1 15 LEU CD1 C 7.676 -7.664 -5.670 1.00 . A A . 15 LEU CD1 1 1 23 9305 1 1 15 LEU CD2 C 8.990 -8.236 -3.609 1.00 . A A . 15 LEU CD2 1 1 23 9306 1 1 15 LEU CG C 7.683 -8.482 -4.375 1.00 . A A . 15 LEU CG 1 1 23 9307 1 1 15 LEU H H 5.168 -7.617 -1.408 1.00 . A A . 15 LEU H 1 1 23 9308 1 1 15 LEU HA H 7.102 -6.256 -2.975 1.00 . A A . 15 LEU HA 1 1 23 9309 1 1 15 LEU HB3 H 5.568 -8.659 -4.000 1.00 . A A . 15 LEU HB3 1 1 23 9310 1 1 15 LEU HD11 H 8.460 -8.031 -6.333 1.00 . A A . 15 LEU HD11 1 1 23 9311 1 1 15 LEU HD12 H 6.715 -7.763 -6.174 1.00 . A A . 15 LEU HD12 1 1 23 9312 1 1 15 LEU HD13 H 7.874 -6.613 -5.458 1.00 . A A . 15 LEU HD13 1 1 23 9313 1 1 15 LEU HD21 H 9.835 -8.533 -4.230 1.00 . A A . 15 LEU HD21 1 1 23 9314 1 1 15 LEU HD22 H 9.103 -7.184 -3.350 1.00 . A A . 15 LEU HD22 1 1 23 9315 1 1 15 LEU HD23 H 9.003 -8.832 -2.696 1.00 . A A . 15 LEU HD23 1 1 23 9316 1 1 15 LEU HG H 7.670 -9.534 -4.657 1.00 . A A . 15 LEU HG 1 1 23 9317 1 1 15 LEU N N 5.465 -6.746 -1.822 1.00 . A A . 15 LEU N 1 1 23 9318 1 1 15 LEU O O 5.857 -5.213 -4.891 1.00 . A A . 15 LEU O 1 1 23 9319 1 1 16 THR C C 1.901 -5.118 -4.638 1.00 . A A . 16 THR C 1 1 23 9320 1 1 16 THR CA C 3.125 -5.811 -5.249 1.00 . A A . 16 THR CA 1 1 23 9321 1 1 16 THR CB C 2.714 -6.940 -6.207 1.00 . A A . 16 THR CB 1 1 23 9322 1 1 16 THR CG2 C 2.091 -6.349 -7.474 1.00 . A A . 16 THR CG2 1 1 23 9323 1 1 16 THR H H 3.663 -7.052 -3.606 1.00 . A A . 16 THR H 1 1 23 9324 1 1 16 THR HA H 3.647 -5.063 -5.848 1.00 . A A . 16 THR HA 1 1 23 9325 1 1 16 THR HB H 1.993 -7.600 -5.717 1.00 . A A . 16 THR HB 1 1 23 9326 1 1 16 THR HG1 H 3.582 -8.401 -7.169 1.00 . A A . 16 THR HG1 1 1 23 9327 1 1 16 THR HG21 H 2.822 -5.720 -7.981 1.00 . A A . 16 THR HG21 1 1 23 9328 1 1 16 THR HG22 H 1.774 -7.150 -8.142 1.00 . A A . 16 THR HG22 1 1 23 9329 1 1 16 THR HG23 H 1.224 -5.740 -7.213 1.00 . A A . 16 THR HG23 1 1 23 9330 1 1 16 THR N N 4.023 -6.347 -4.227 1.00 . A A . 16 THR N 1 1 23 9331 1 1 16 THR O O 0.800 -5.677 -4.626 1.00 . A A . 16 THR O 1 1 23 9332 1 1 16 THR OG1 O 3.851 -7.703 -6.568 1.00 . A A . 16 THR OG1 1 1 23 9333 1 1 17 PRO C C -0.099 -2.792 -4.609 1.00 . A A . 17 PRO C 1 1 23 9334 1 1 17 PRO CA C 0.952 -3.167 -3.569 1.00 . A A . 17 PRO CA 1 1 23 9335 1 1 17 PRO CB C 1.533 -1.985 -2.799 1.00 . A A . 17 PRO CB 1 1 23 9336 1 1 17 PRO CD C 3.233 -3.437 -3.421 1.00 . A A . 17 PRO CD 1 1 23 9337 1 1 17 PRO CG C 3.030 -2.008 -3.039 1.00 . A A . 17 PRO CG 1 1 23 9338 1 1 17 PRO HA H 0.567 -3.850 -2.825 1.00 . A A . 17 PRO HA 1 1 23 9339 1 1 17 PRO HB3 H 1.264 -2.129 -1.767 1.00 . A A . 17 PRO HB3 1 1 23 9340 1 1 17 PRO HD3 H 3.155 -3.884 -2.458 1.00 . A A . 17 PRO HD3 1 1 23 9341 1 1 17 PRO HG3 H 3.624 -1.808 -2.165 1.00 . A A . 17 PRO HG3 1 1 23 9342 1 1 17 PRO N N 2.061 -3.896 -4.115 1.00 . A A . 17 PRO N 1 1 23 9343 1 1 17 PRO O O 0.202 -2.668 -5.794 1.00 . A A . 17 PRO O 1 1 23 9344 1 1 18 ASP C C -2.469 -0.639 -4.837 1.00 . A A . 18 ASP C 1 1 23 9345 1 1 18 ASP CA C -2.466 -2.164 -4.922 1.00 . A A . 18 ASP CA 1 1 23 9346 1 1 18 ASP CB C -3.763 -2.777 -4.359 1.00 . A A . 18 ASP CB 1 1 23 9347 1 1 18 ASP CG C -4.875 -2.905 -5.387 1.00 . A A . 18 ASP CG 1 1 23 9348 1 1 18 ASP H H -1.469 -2.673 -3.140 1.00 . A A . 18 ASP H 1 1 23 9349 1 1 18 ASP HA H -2.331 -2.477 -5.958 1.00 . A A . 18 ASP HA 1 1 23 9350 1 1 18 ASP HB3 H -4.143 -2.161 -3.552 1.00 . A A . 18 ASP HB3 1 1 23 9351 1 1 18 ASP N N -1.335 -2.628 -4.140 1.00 . A A . 18 ASP N 1 1 23 9352 1 1 18 ASP O O -2.332 0.051 -5.846 1.00 . A A . 18 ASP O 1 1 23 9353 1 1 18 ASP OD1 O -4.759 -2.324 -6.485 1.00 . A A . 18 ASP OD1 1 1 23 9354 1 1 18 ASP OD2 O -5.922 -3.490 -5.034 1.00 . A A . 18 ASP OD2 1 1 23 9355 1 1 19 ARG C C -2.197 1.609 -1.923 1.00 . A A . 19 ARG C 1 1 23 9356 1 1 19 ARG CA C -2.543 1.336 -3.383 1.00 . A A . 19 ARG CA 1 1 23 9357 1 1 19 ARG CB C -3.902 1.985 -3.690 1.00 . A A . 19 ARG CB 1 1 23 9358 1 1 19 ARG CD C -6.441 1.629 -4.033 1.00 . A A . 19 ARG CD 1 1 23 9359 1 1 19 ARG CG C -5.104 1.068 -3.513 1.00 . A A . 19 ARG CG 1 1 23 9360 1 1 19 ARG CZ C -7.220 -0.499 -5.035 1.00 . A A . 19 ARG CZ 1 1 23 9361 1 1 19 ARG H H -2.842 -0.654 -2.805 1.00 . A A . 19 ARG H 1 1 23 9362 1 1 19 ARG HA H -1.774 1.785 -4.012 1.00 . A A . 19 ARG HA 1 1 23 9363 1 1 19 ARG HB3 H -3.893 2.429 -4.687 1.00 . A A . 19 ARG HB3 1 1 23 9364 1 1 19 ARG HD3 H -6.291 2.143 -4.984 1.00 . A A . 19 ARG HD3 1 1 23 9365 1 1 19 ARG HE H -8.082 0.427 -3.448 1.00 . A A . 19 ARG HE 1 1 23 9366 1 1 19 ARG HG3 H -5.134 0.748 -2.481 1.00 . A A . 19 ARG HG3 1 1 23 9367 1 1 19 ARG HH11 H -5.964 0.540 -6.257 1.00 . A A . 19 ARG HH11 1 1 23 9368 1 1 19 ARG HH12 H -5.963 -1.171 -6.515 1.00 . A A . 19 ARG HH12 1 1 23 9369 1 1 19 ARG HH21 H -8.422 -1.810 -4.011 1.00 . A A . 19 ARG HH21 1 1 23 9370 1 1 19 ARG HH22 H -7.278 -2.516 -5.108 1.00 . A A . 19 ARG HH22 1 1 23 9371 1 1 19 ARG N N -2.596 -0.094 -3.618 1.00 . A A . 19 ARG N 1 1 23 9372 1 1 19 ARG NE N -7.413 0.533 -4.195 1.00 . A A . 19 ARG NE 1 1 23 9373 1 1 19 ARG NH1 N -6.402 -0.348 -6.080 1.00 . A A . 19 ARG NH1 1 1 23 9374 1 1 19 ARG NH2 N -7.782 -1.682 -4.777 1.00 . A A . 19 ARG NH2 1 1 23 9375 1 1 19 ARG O O -2.641 0.887 -1.038 1.00 . A A . 19 ARG O 1 1 23 9376 1 1 20 CYS C C -2.977 4.274 -0.596 1.00 . A A . 20 CYS C 1 1 23 9377 1 1 20 CYS CA C -1.714 3.437 -0.413 1.00 . A A . 20 CYS CA 1 1 23 9378 1 1 20 CYS CB C -0.511 4.317 -0.083 1.00 . A A . 20 CYS CB 1 1 23 9379 1 1 20 CYS H H -1.268 3.290 -2.471 1.00 . A A . 20 CYS H 1 1 23 9380 1 1 20 CYS HA H -1.847 2.740 0.409 1.00 . A A . 20 CYS HA 1 1 23 9381 1 1 20 CYS HB3 H -0.376 5.039 -0.887 1.00 . A A . 20 CYS HB3 1 1 23 9382 1 1 20 CYS N N -1.525 2.731 -1.673 1.00 . A A . 20 CYS N 1 1 23 9383 1 1 20 CYS O O -3.017 5.127 -1.482 1.00 . A A . 20 CYS O 1 1 23 9384 1 1 20 CYS SG S -0.739 5.228 1.466 1.00 . A A . 20 CYS SG 1 1 23 9385 1 1 21 SER C C -6.206 4.358 1.151 1.00 . A A . 21 SER C 1 1 23 9386 1 1 21 SER CA C -5.363 4.551 -0.104 1.00 . A A . 21 SER CA 1 1 23 9387 1 1 21 SER CB C -5.988 3.886 -1.337 1.00 . A A . 21 SER CB 1 1 23 9388 1 1 21 SER H H -4.021 3.208 0.803 1.00 . A A . 21 SER H 1 1 23 9389 1 1 21 SER HA H -5.262 5.625 -0.274 1.00 . A A . 21 SER HA 1 1 23 9390 1 1 21 SER HB3 H -7.070 3.946 -1.256 1.00 . A A . 21 SER HB3 1 1 23 9391 1 1 21 SER HG H -4.660 4.891 -2.356 1.00 . A A . 21 SER HG 1 1 23 9392 1 1 21 SER N N -4.055 3.964 0.125 1.00 . A A . 21 SER N 1 1 23 9393 1 1 21 SER O O -6.063 3.344 1.820 1.00 . A A . 21 SER O 1 1 23 9394 1 1 21 SER OG O -5.575 4.602 -2.484 1.00 . A A . 21 SER OG 1 1 23 9395 1 1 22 TYR C C -6.876 5.047 3.963 1.00 . A A . 22 TYR C 1 1 23 9396 1 1 22 TYR CA C -7.797 5.337 2.766 1.00 . A A . 22 TYR CA 1 1 23 9397 1 1 22 TYR CB C -8.972 4.347 2.695 1.00 . A A . 22 TYR CB 1 1 23 9398 1 1 22 TYR CD1 C -11.021 5.524 1.794 1.00 . A A . 22 TYR CD1 1 1 23 9399 1 1 22 TYR CD2 C -9.859 3.944 0.351 1.00 . A A . 22 TYR CD2 1 1 23 9400 1 1 22 TYR CE1 C -11.975 5.742 0.784 1.00 . A A . 22 TYR CE1 1 1 23 9401 1 1 22 TYR CE2 C -10.809 4.169 -0.661 1.00 . A A . 22 TYR CE2 1 1 23 9402 1 1 22 TYR CG C -9.964 4.619 1.582 1.00 . A A . 22 TYR CG 1 1 23 9403 1 1 22 TYR CZ C -11.871 5.062 -0.440 1.00 . A A . 22 TYR CZ 1 1 23 9404 1 1 22 TYR H H -7.134 6.144 0.911 1.00 . A A . 22 TYR H 1 1 23 9405 1 1 22 TYR HA H -8.210 6.337 2.911 1.00 . A A . 22 TYR HA 1 1 23 9406 1 1 22 TYR HB3 H -9.513 4.389 3.641 1.00 . A A . 22 TYR HB3 1 1 23 9407 1 1 22 TYR HD1 H -11.117 6.040 2.738 1.00 . A A . 22 TYR HD1 1 1 23 9408 1 1 22 TYR HD2 H -9.055 3.246 0.180 1.00 . A A . 22 TYR HD2 1 1 23 9409 1 1 22 TYR HE1 H -12.795 6.424 0.953 1.00 . A A . 22 TYR HE1 1 1 23 9410 1 1 22 TYR HE2 H -10.723 3.640 -1.599 1.00 . A A . 22 TYR HE2 1 1 23 9411 1 1 22 TYR HH H -12.659 4.751 -2.200 1.00 . A A . 22 TYR HH 1 1 23 9412 1 1 22 TYR N N -7.045 5.338 1.510 1.00 . A A . 22 TYR N 1 1 23 9413 1 1 22 TYR O O -7.204 4.241 4.832 1.00 . A A . 22 TYR O 1 1 23 9414 1 1 22 TYR OH O -12.807 5.272 -1.408 1.00 . A A . 22 TYR OH 1 1 23 9415 1 1 23 GLY C C -4.248 4.031 5.219 1.00 . A A . 23 GLY C 1 1 23 9416 1 1 23 GLY CA C -4.689 5.489 5.023 1.00 . A A . 23 GLY CA 1 1 23 9417 1 1 23 GLY H H -5.483 6.317 3.234 1.00 . A A . 23 GLY H 1 1 23 9418 1 1 23 GLY HA2 H -3.811 6.081 4.761 1.00 . A A . 23 GLY HA2 1 1 23 9419 1 1 23 GLY HA3 H -5.097 5.865 5.961 1.00 . A A . 23 GLY HA3 1 1 23 9420 1 1 23 GLY N N -5.693 5.670 3.978 1.00 . A A . 23 GLY N 1 1 23 9421 1 1 23 GLY O O -3.644 3.694 6.241 1.00 . A A . 23 GLY O 1 1 23 9422 1 1 24 THR C C -3.455 1.373 3.096 1.00 . A A . 24 THR C 1 1 23 9423 1 1 24 THR CA C -4.348 1.738 4.276 1.00 . A A . 24 THR CA 1 1 23 9424 1 1 24 THR CB C -5.722 1.057 4.180 1.00 . A A . 24 THR CB 1 1 23 9425 1 1 24 THR CG2 C -5.637 -0.467 4.301 1.00 . A A . 24 THR CG2 1 1 23 9426 1 1 24 THR H H -4.974 3.523 3.399 1.00 . A A . 24 THR H 1 1 23 9427 1 1 24 THR HA H -3.877 1.453 5.212 1.00 . A A . 24 THR HA 1 1 23 9428 1 1 24 THR HB H -6.178 1.292 3.220 1.00 . A A . 24 THR HB 1 1 23 9429 1 1 24 THR HG1 H -6.718 2.485 5.080 1.00 . A A . 24 THR HG1 1 1 23 9430 1 1 24 THR HG21 H -5.017 -0.883 3.508 1.00 . A A . 24 THR HG21 1 1 23 9431 1 1 24 THR HG22 H -5.223 -0.742 5.269 1.00 . A A . 24 THR HG22 1 1 23 9432 1 1 24 THR HG23 H -6.640 -0.888 4.217 1.00 . A A . 24 THR HG23 1 1 23 9433 1 1 24 THR N N -4.537 3.173 4.239 1.00 . A A . 24 THR N 1 1 23 9434 1 1 24 THR O O -3.684 1.857 1.988 1.00 . A A . 24 THR O 1 1 23 9435 1 1 24 THR OG1 O -6.566 1.538 5.209 1.00 . A A . 24 THR OG1 1 1 23 9436 1 1 25 CYS C C -2.194 -1.240 1.706 1.00 . A A . 25 CYS C 1 1 23 9437 1 1 25 CYS CA C -1.590 0.074 2.221 1.00 . A A . 25 CYS CA 1 1 23 9438 1 1 25 CYS CB C -0.095 0.138 2.590 1.00 . A A . 25 CYS CB 1 1 23 9439 1 1 25 CYS H H -2.321 0.119 4.230 1.00 . A A . 25 CYS H 1 1 23 9440 1 1 25 CYS HA H -1.654 0.776 1.393 1.00 . A A . 25 CYS HA 1 1 23 9441 1 1 25 CYS HB3 H 0.034 0.694 3.515 1.00 . A A . 25 CYS HB3 1 1 23 9442 1 1 25 CYS N N -2.429 0.548 3.314 1.00 . A A . 25 CYS N 1 1 23 9443 1 1 25 CYS O O -1.927 -2.336 2.190 1.00 . A A . 25 CYS O 1 1 23 9444 1 1 25 CYS SG S 0.863 -1.366 2.718 1.00 . A A . 25 CYS SG 1 1 23 9445 1 1 26 TYR C C -2.741 -2.926 -0.760 1.00 . A A . 26 TYR C 1 1 23 9446 1 1 26 TYR CA C -3.784 -2.191 0.069 1.00 . A A . 26 TYR CA 1 1 23 9447 1 1 26 TYR CB C -4.842 -1.607 -0.878 1.00 . A A . 26 TYR CB 1 1 23 9448 1 1 26 TYR CD1 C -7.192 -2.056 -0.072 1.00 . A A . 26 TYR CD1 1 1 23 9449 1 1 26 TYR CD2 C -6.265 0.173 0.245 1.00 . A A . 26 TYR CD2 1 1 23 9450 1 1 26 TYR CE1 C -8.410 -1.631 0.483 1.00 . A A . 26 TYR CE1 1 1 23 9451 1 1 26 TYR CE2 C -7.490 0.597 0.789 1.00 . A A . 26 TYR CE2 1 1 23 9452 1 1 26 TYR CG C -6.120 -1.153 -0.203 1.00 . A A . 26 TYR CG 1 1 23 9453 1 1 26 TYR CZ C -8.557 -0.307 0.924 1.00 . A A . 26 TYR CZ 1 1 23 9454 1 1 26 TYR H H -3.228 -0.172 0.350 1.00 . A A . 26 TYR H 1 1 23 9455 1 1 26 TYR HA H -4.249 -2.867 0.787 1.00 . A A . 26 TYR HA 1 1 23 9456 1 1 26 TYR HB3 H -5.129 -2.374 -1.594 1.00 . A A . 26 TYR HB3 1 1 23 9457 1 1 26 TYR HD1 H -7.087 -3.078 -0.404 1.00 . A A . 26 TYR HD1 1 1 23 9458 1 1 26 TYR HD2 H -5.442 0.868 0.168 1.00 . A A . 26 TYR HD2 1 1 23 9459 1 1 26 TYR HE1 H -9.231 -2.325 0.585 1.00 . A A . 26 TYR HE1 1 1 23 9460 1 1 26 TYR HE2 H -7.606 1.611 1.126 1.00 . A A . 26 TYR HE2 1 1 23 9461 1 1 26 TYR HH H -9.715 0.996 1.808 1.00 . A A . 26 TYR HH 1 1 23 9462 1 1 26 TYR N N -3.122 -1.096 0.757 1.00 . A A . 26 TYR N 1 1 23 9463 1 1 26 TYR O O -2.010 -2.262 -1.496 1.00 . A A . 26 TYR O 1 1 23 9464 1 1 26 TYR OH O -9.743 0.105 1.452 1.00 . A A . 26 TYR OH 1 1 23 9465 1 1 27 CYS C C -2.493 -5.960 -2.444 1.00 . A A . 27 CYS C 1 1 23 9466 1 1 27 CYS CA C -1.756 -5.076 -1.453 1.00 . A A . 27 CYS CA 1 1 23 9467 1 1 27 CYS CB C -0.796 -5.875 -0.568 1.00 . A A . 27 CYS CB 1 1 23 9468 1 1 27 CYS H H -3.331 -4.754 -0.075 1.00 . A A . 27 CYS H 1 1 23 9469 1 1 27 CYS HA H -1.157 -4.404 -2.035 1.00 . A A . 27 CYS HA 1 1 23 9470 1 1 27 CYS HB3 H -0.025 -6.299 -1.212 1.00 . A A . 27 CYS HB3 1 1 23 9471 1 1 27 CYS N N -2.689 -4.264 -0.679 1.00 . A A . 27 CYS N 1 1 23 9472 1 1 27 CYS O O -3.495 -6.574 -2.077 1.00 . A A . 27 CYS O 1 1 23 9473 1 1 27 CYS SG S 0.050 -4.860 0.655 1.00 . A A . 27 CYS SG 1 1 23 9474 1 1 28 LYS C C -2.614 -8.121 -4.776 1.00 . A A . 28 LYS C 1 1 23 9475 1 1 28 LYS CA C -2.713 -6.593 -4.828 1.00 . A A . 28 LYS CA 1 1 23 9476 1 1 28 LYS CB C -2.129 -5.970 -6.109 1.00 . A A . 28 LYS CB 1 1 23 9477 1 1 28 LYS CD C -3.725 -7.153 -7.705 1.00 . A A . 28 LYS CD 1 1 23 9478 1 1 28 LYS CE C -4.667 -6.941 -8.895 1.00 . A A . 28 LYS CE 1 1 23 9479 1 1 28 LYS CG C -3.170 -5.808 -7.219 1.00 . A A . 28 LYS CG 1 1 23 9480 1 1 28 LYS H H -1.113 -5.608 -3.914 1.00 . A A . 28 LYS H 1 1 23 9481 1 1 28 LYS HA H -3.762 -6.301 -4.748 1.00 . A A . 28 LYS HA 1 1 23 9482 1 1 28 LYS HB3 H -1.267 -6.533 -6.467 1.00 . A A . 28 LYS HB3 1 1 23 9483 1 1 28 LYS HD3 H -4.274 -7.628 -6.890 1.00 . A A . 28 LYS HD3 1 1 23 9484 1 1 28 LYS HE3 H -4.113 -6.476 -9.714 1.00 . A A . 28 LYS HE3 1 1 23 9485 1 1 28 LYS HG3 H -2.682 -5.284 -8.044 1.00 . A A . 28 LYS HG3 1 1 23 9486 1 1 28 LYS HZ1 H -5.782 -8.650 -8.625 1.00 . A A . 28 LYS HZ1 1 1 23 9487 1 1 28 LYS HZ2 H -5.863 -8.043 -10.151 1.00 . A A . 28 LYS HZ2 1 1 23 9488 1 1 28 LYS HZ3 H -4.515 -8.847 -9.658 1.00 . A A . 28 LYS HZ3 1 1 23 9489 1 1 28 LYS N N -2.007 -6.027 -3.691 1.00 . A A . 28 LYS N 1 1 23 9490 1 1 28 LYS NZ N -5.249 -8.216 -9.366 1.00 . A A . 28 LYS NZ 1 1 23 9491 1 1 28 LYS O O -1.996 -8.761 -5.623 1.00 . A A . 28 LYS O 1 1 23 9492 1 1 29 THR C C -4.377 -10.764 -3.235 1.00 . A A . 29 THR C 1 1 23 9493 1 1 29 THR CA C -3.032 -10.048 -3.286 1.00 . A A . 29 THR CA 1 1 23 9494 1 1 29 THR CB C -2.297 -10.009 -1.933 1.00 . A A . 29 THR CB 1 1 23 9495 1 1 29 THR CG2 C -0.855 -9.515 -2.093 1.00 . A A . 29 THR CG2 1 1 23 9496 1 1 29 THR H H -3.707 -8.051 -3.116 1.00 . A A . 29 THR H 1 1 23 9497 1 1 29 THR HA H -2.430 -10.623 -3.965 1.00 . A A . 29 THR HA 1 1 23 9498 1 1 29 THR HB H -2.262 -11.019 -1.520 1.00 . A A . 29 THR HB 1 1 23 9499 1 1 29 THR HG1 H -3.002 -8.255 -1.352 1.00 . A A . 29 THR HG1 1 1 23 9500 1 1 29 THR HG21 H -0.356 -9.534 -1.124 1.00 . A A . 29 THR HG21 1 1 23 9501 1 1 29 THR HG22 H -0.315 -10.168 -2.780 1.00 . A A . 29 THR HG22 1 1 23 9502 1 1 29 THR HG23 H -0.833 -8.498 -2.482 1.00 . A A . 29 THR HG23 1 1 23 9503 1 1 29 THR N N -3.222 -8.684 -3.738 1.00 . A A . 29 THR N 1 1 23 9504 1 1 29 THR O O -4.791 -11.429 -4.181 1.00 . A A . 29 THR O 1 1 23 9505 1 1 29 THR OG1 O -2.968 -9.160 -1.016 1.00 . A A . 29 THR OG1 1 1 23 9506 1 1 30 THR C C -6.915 -10.345 -0.593 1.00 . A A . 30 THR C 1 1 23 9507 1 1 30 THR CA C -6.364 -11.126 -1.792 1.00 . A A . 30 THR CA 1 1 23 9508 1 1 30 THR CB C -6.286 -12.648 -1.563 1.00 . A A . 30 THR CB 1 1 23 9509 1 1 30 THR CG2 C -5.362 -13.026 -0.399 1.00 . A A . 30 THR CG2 1 1 23 9510 1 1 30 THR H H -4.578 -10.007 -1.432 1.00 . A A . 30 THR H 1 1 23 9511 1 1 30 THR HA H -7.024 -10.940 -2.641 1.00 . A A . 30 THR HA 1 1 23 9512 1 1 30 THR HB H -5.901 -13.116 -2.471 1.00 . A A . 30 THR HB 1 1 23 9513 1 1 30 THR HG1 H -7.525 -14.139 -1.338 1.00 . A A . 30 THR HG1 1 1 23 9514 1 1 30 THR HG21 H -5.321 -14.113 -0.302 1.00 . A A . 30 THR HG21 1 1 23 9515 1 1 30 THR HG22 H -4.353 -12.660 -0.581 1.00 . A A . 30 THR HG22 1 1 23 9516 1 1 30 THR HG23 H -5.730 -12.606 0.537 1.00 . A A . 30 THR HG23 1 1 23 9517 1 1 30 THR N N -5.049 -10.599 -2.108 1.00 . A A . 30 THR N 1 1 23 9518 1 1 30 THR O O -6.358 -9.320 -0.207 1.00 . A A . 30 THR O 1 1 23 9519 1 1 30 THR OG1 O -7.576 -13.178 -1.323 1.00 . A A . 30 THR OG1 1 1 23 9520 1 1 31 NH2 HN1 H -8.365 -11.712 -0.335 1.00 . A A . 31 NH2 HN1 1 1 23 9521 1 1 31 NH2 HN2 H -8.404 -10.349 0.793 1.00 . A A . 31 NH2 HN2 1 1 23 9522 1 1 31 NH2 N N -8.004 -10.825 0.000 1.00 . A A . 31 NH2 N 1 1 24 9523 1 1 1 PCA C C -0.203 8.354 8.175 1.00 . A A . 1 PCA C 1 1 24 9524 1 1 1 PCA CA C 0.920 8.937 7.319 1.00 . A A . 1 PCA CA 1 1 24 9525 1 1 1 PCA CB C 2.288 8.644 7.950 1.00 . A A . 1 PCA CB 1 1 24 9526 1 1 1 PCA CD C 1.627 10.943 8.204 1.00 . A A . 1 PCA CD 1 1 24 9527 1 1 1 PCA CG C 2.507 9.874 8.832 1.00 . A A . 1 PCA CG 1 1 24 9528 1 1 1 PCA HA H 0.883 8.545 6.303 1.00 . A A . 1 PCA HA 1 1 24 9529 1 1 1 PCA HB2 H 3.049 8.626 7.169 1.00 . A A . 1 PCA HB2 1 1 24 9530 1 1 1 PCA HB3 H 2.309 7.711 8.515 1.00 . A A . 1 PCA HB3 1 1 24 9531 1 1 1 PCA HG2 H 2.166 9.680 9.850 1.00 . A A . 1 PCA HG2 1 1 24 9532 1 1 1 PCA HG3 H 3.556 10.171 8.838 1.00 . A A . 1 PCA HG3 1 1 24 9533 1 1 1 PCA N N 0.814 10.383 7.307 1.00 . A A . 1 PCA N 1 1 24 9534 1 1 1 PCA O O -0.318 8.700 9.347 1.00 . A A . 1 PCA O 1 1 24 9535 1 1 1 PCA OE O 1.797 12.132 8.412 1.00 . A A . 1 PCA OE 1 1 24 9536 1 1 2 THR C C -1.345 5.281 8.511 1.00 . A A . 2 THR C 1 1 24 9537 1 1 2 THR CA C -1.983 6.660 8.328 1.00 . A A . 2 THR CA 1 1 24 9538 1 1 2 THR CB C -3.337 6.718 7.609 1.00 . A A . 2 THR CB 1 1 24 9539 1 1 2 THR CG2 C -4.471 6.073 8.420 1.00 . A A . 2 THR CG2 1 1 24 9540 1 1 2 THR H H -0.850 7.232 6.622 1.00 . A A . 2 THR H 1 1 24 9541 1 1 2 THR HA H -2.156 7.022 9.331 1.00 . A A . 2 THR HA 1 1 24 9542 1 1 2 THR HB H -3.227 6.259 6.631 1.00 . A A . 2 THR HB 1 1 24 9543 1 1 2 THR HG1 H -2.919 8.561 7.138 1.00 . A A . 2 THR HG1 1 1 24 9544 1 1 2 THR HG21 H -5.408 6.167 7.872 1.00 . A A . 2 THR HG21 1 1 24 9545 1 1 2 THR HG22 H -4.285 5.017 8.608 1.00 . A A . 2 THR HG22 1 1 24 9546 1 1 2 THR HG23 H -4.575 6.588 9.374 1.00 . A A . 2 THR HG23 1 1 24 9547 1 1 2 THR N N -1.020 7.473 7.594 1.00 . A A . 2 THR N 1 1 24 9548 1 1 2 THR O O -0.307 5.182 9.162 1.00 . A A . 2 THR O 1 1 24 9549 1 1 2 THR OG1 O -3.702 8.066 7.398 1.00 . A A . 2 THR OG1 1 1 24 9550 1 1 3 GLN C C 0.137 3.347 6.853 1.00 . A A . 3 GLN C 1 1 24 9551 1 1 3 GLN CA C -1.093 3.013 7.695 1.00 . A A . 3 GLN CA 1 1 24 9552 1 1 3 GLN CB C -1.882 1.940 6.943 1.00 . A A . 3 GLN CB 1 1 24 9553 1 1 3 GLN CD C -3.726 0.251 7.052 1.00 . A A . 3 GLN CD 1 1 24 9554 1 1 3 GLN CG C -3.075 1.396 7.725 1.00 . A A . 3 GLN CG 1 1 24 9555 1 1 3 GLN H H -2.750 4.361 7.386 1.00 . A A . 3 GLN H 1 1 24 9556 1 1 3 GLN HA H -0.772 2.615 8.660 1.00 . A A . 3 GLN HA 1 1 24 9557 1 1 3 GLN HB3 H -1.203 1.109 6.744 1.00 . A A . 3 GLN HB3 1 1 24 9558 1 1 3 GLN HE21 H -5.017 0.255 8.630 1.00 . A A . 3 GLN HE21 1 1 24 9559 1 1 3 GLN HE22 H -5.064 -1.065 7.517 1.00 . A A . 3 GLN HE22 1 1 24 9560 1 1 3 GLN HG3 H -3.901 2.086 7.846 1.00 . A A . 3 GLN HG3 1 1 24 9561 1 1 3 GLN N N -1.881 4.229 7.889 1.00 . A A . 3 GLN N 1 1 24 9562 1 1 3 GLN NE2 N -4.729 -0.193 7.773 1.00 . A A . 3 GLN NE2 1 1 24 9563 1 1 3 GLN O O 1.224 2.820 7.069 1.00 . A A . 3 GLN O 1 1 24 9564 1 1 3 GLN OE1 O -3.346 -0.229 5.985 1.00 . A A . 3 GLN OE1 1 1 24 9565 1 1 4 CYS C C 0.667 6.096 4.585 1.00 . A A . 4 CYS C 1 1 24 9566 1 1 4 CYS CA C 0.877 4.621 4.862 1.00 . A A . 4 CYS CA 1 1 24 9567 1 1 4 CYS CB C 0.661 3.844 3.563 1.00 . A A . 4 CYS CB 1 1 24 9568 1 1 4 CYS H H -1.009 4.597 5.753 1.00 . A A . 4 CYS H 1 1 24 9569 1 1 4 CYS HA H 1.895 4.463 5.224 1.00 . A A . 4 CYS HA 1 1 24 9570 1 1 4 CYS HB3 H 0.965 2.819 3.715 1.00 . A A . 4 CYS HB3 1 1 24 9571 1 1 4 CYS N N -0.086 4.197 5.852 1.00 . A A . 4 CYS N 1 1 24 9572 1 1 4 CYS O O -0.367 6.670 4.937 1.00 . A A . 4 CYS O 1 1 24 9573 1 1 4 CYS SG S -1.033 3.878 2.916 1.00 . A A . 4 CYS SG 1 1 24 9574 1 1 5 GLN C C 1.512 7.916 1.849 1.00 . A A . 5 GLN C 1 1 24 9575 1 1 5 GLN CA C 1.666 8.015 3.368 1.00 . A A . 5 GLN CA 1 1 24 9576 1 1 5 GLN CB C 2.977 8.707 3.754 1.00 . A A . 5 GLN CB 1 1 24 9577 1 1 5 GLN CD C 3.385 10.897 2.511 1.00 . A A . 5 GLN CD 1 1 24 9578 1 1 5 GLN CG C 2.851 10.237 3.778 1.00 . A A . 5 GLN CG 1 1 24 9579 1 1 5 GLN H H 2.483 6.108 3.723 1.00 . A A . 5 GLN H 1 1 24 9580 1 1 5 GLN HA H 0.847 8.598 3.789 1.00 . A A . 5 GLN HA 1 1 24 9581 1 1 5 GLN HB3 H 3.791 8.395 3.099 1.00 . A A . 5 GLN HB3 1 1 24 9582 1 1 5 GLN HE21 H 1.697 10.434 1.464 1.00 . A A . 5 GLN HE21 1 1 24 9583 1 1 5 GLN HE22 H 2.949 11.299 0.583 1.00 . A A . 5 GLN HE22 1 1 24 9584 1 1 5 GLN HG3 H 3.440 10.590 4.620 1.00 . A A . 5 GLN HG3 1 1 24 9585 1 1 5 GLN N N 1.666 6.683 3.935 1.00 . A A . 5 GLN N 1 1 24 9586 1 1 5 GLN NE2 N 2.600 10.899 1.440 1.00 . A A . 5 GLN NE2 1 1 24 9587 1 1 5 GLN O O 0.879 8.781 1.243 1.00 . A A . 5 GLN O 1 1 24 9588 1 1 5 GLN OE1 O 4.499 11.410 2.491 1.00 . A A . 5 GLN OE1 1 1 24 9589 1 1 6 SER C C 2.546 5.315 -0.570 1.00 . A A . 6 SER C 1 1 24 9590 1 1 6 SER CA C 2.166 6.753 -0.231 1.00 . A A . 6 SER CA 1 1 24 9591 1 1 6 SER CB C 3.177 7.739 -0.831 1.00 . A A . 6 SER CB 1 1 24 9592 1 1 6 SER H H 2.625 6.199 1.777 1.00 . A A . 6 SER H 1 1 24 9593 1 1 6 SER HA H 1.177 6.951 -0.650 1.00 . A A . 6 SER HA 1 1 24 9594 1 1 6 SER HB3 H 3.460 7.430 -1.838 1.00 . A A . 6 SER HB3 1 1 24 9595 1 1 6 SER HG H 2.015 9.154 -0.168 1.00 . A A . 6 SER HG 1 1 24 9596 1 1 6 SER N N 2.122 6.905 1.220 1.00 . A A . 6 SER N 1 1 24 9597 1 1 6 SER O O 3.052 4.594 0.277 1.00 . A A . 6 SER O 1 1 24 9598 1 1 6 SER OG O 2.600 9.025 -0.925 1.00 . A A . 6 SER OG 1 1 24 9599 1 1 7 VAL C C 3.788 2.858 -1.776 1.00 . A A . 7 VAL C 1 1 24 9600 1 1 7 VAL CA C 2.459 3.492 -2.222 1.00 . A A . 7 VAL CA 1 1 24 9601 1 1 7 VAL CB C 2.219 3.428 -3.740 1.00 . A A . 7 VAL CB 1 1 24 9602 1 1 7 VAL CG1 C 3.370 4.020 -4.564 1.00 . A A . 7 VAL CG1 1 1 24 9603 1 1 7 VAL CG2 C 1.937 1.990 -4.158 1.00 . A A . 7 VAL CG2 1 1 24 9604 1 1 7 VAL H H 1.862 5.478 -2.486 1.00 . A A . 7 VAL H 1 1 24 9605 1 1 7 VAL HA H 1.660 2.935 -1.723 1.00 . A A . 7 VAL HA 1 1 24 9606 1 1 7 VAL HB H 1.316 3.999 -3.966 1.00 . A A . 7 VAL HB 1 1 24 9607 1 1 7 VAL HG11 H 3.093 4.023 -5.617 1.00 . A A . 7 VAL HG11 1 1 24 9608 1 1 7 VAL HG12 H 3.568 5.045 -4.253 1.00 . A A . 7 VAL HG12 1 1 24 9609 1 1 7 VAL HG13 H 4.274 3.425 -4.445 1.00 . A A . 7 VAL HG13 1 1 24 9610 1 1 7 VAL HG21 H 1.694 1.965 -5.220 1.00 . A A . 7 VAL HG21 1 1 24 9611 1 1 7 VAL HG22 H 2.810 1.375 -3.962 1.00 . A A . 7 VAL HG22 1 1 24 9612 1 1 7 VAL HG23 H 1.087 1.626 -3.583 1.00 . A A . 7 VAL HG23 1 1 24 9613 1 1 7 VAL N N 2.305 4.877 -1.809 1.00 . A A . 7 VAL N 1 1 24 9614 1 1 7 VAL O O 3.804 1.684 -1.422 1.00 . A A . 7 VAL O 1 1 24 9615 1 1 8 ARG C C 6.006 2.468 0.145 1.00 . A A . 8 ARG C 1 1 24 9616 1 1 8 ARG CA C 6.164 3.276 -1.150 1.00 . A A . 8 ARG CA 1 1 24 9617 1 1 8 ARG CB C 6.958 4.556 -0.844 1.00 . A A . 8 ARG CB 1 1 24 9618 1 1 8 ARG CD C 8.815 4.324 -2.571 1.00 . A A . 8 ARG CD 1 1 24 9619 1 1 8 ARG CG C 7.640 5.180 -2.070 1.00 . A A . 8 ARG CG 1 1 24 9620 1 1 8 ARG CZ C 8.751 3.822 -5.036 1.00 . A A . 8 ARG CZ 1 1 24 9621 1 1 8 ARG H H 4.761 4.580 -2.079 1.00 . A A . 8 ARG H 1 1 24 9622 1 1 8 ARG HA H 6.723 2.663 -1.853 1.00 . A A . 8 ARG HA 1 1 24 9623 1 1 8 ARG HB3 H 7.729 4.332 -0.103 1.00 . A A . 8 ARG HB3 1 1 24 9624 1 1 8 ARG HD3 H 9.130 3.637 -1.783 1.00 . A A . 8 ARG HD3 1 1 24 9625 1 1 8 ARG HE H 8.001 2.631 -3.598 1.00 . A A . 8 ARG HE 1 1 24 9626 1 1 8 ARG HG3 H 8.037 6.146 -1.752 1.00 . A A . 8 ARG HG3 1 1 24 9627 1 1 8 ARG HH11 H 9.426 5.698 -4.646 1.00 . A A . 8 ARG HH11 1 1 24 9628 1 1 8 ARG HH12 H 9.528 5.230 -6.316 1.00 . A A . 8 ARG HH12 1 1 24 9629 1 1 8 ARG HH21 H 8.054 2.042 -5.670 1.00 . A A . 8 ARG HH21 1 1 24 9630 1 1 8 ARG HH22 H 8.709 3.049 -6.953 1.00 . A A . 8 ARG HH22 1 1 24 9631 1 1 8 ARG N N 4.879 3.634 -1.756 1.00 . A A . 8 ARG N 1 1 24 9632 1 1 8 ARG NE N 8.461 3.526 -3.759 1.00 . A A . 8 ARG NE 1 1 24 9633 1 1 8 ARG NH1 N 9.286 5.003 -5.363 1.00 . A A . 8 ARG NH1 1 1 24 9634 1 1 8 ARG NH2 N 8.492 2.912 -5.978 1.00 . A A . 8 ARG NH2 1 1 24 9635 1 1 8 ARG O O 6.589 1.393 0.282 1.00 . A A . 8 ARG O 1 1 24 9636 1 1 9 ASP C C 4.445 0.933 2.109 1.00 . A A . 9 ASP C 1 1 24 9637 1 1 9 ASP CA C 4.921 2.361 2.356 1.00 . A A . 9 ASP CA 1 1 24 9638 1 1 9 ASP CB C 3.820 3.205 3.000 1.00 . A A . 9 ASP CB 1 1 24 9639 1 1 9 ASP CG C 4.310 4.566 3.456 1.00 . A A . 9 ASP CG 1 1 24 9640 1 1 9 ASP H H 4.672 3.825 0.900 1.00 . A A . 9 ASP H 1 1 24 9641 1 1 9 ASP HA H 5.809 2.349 2.991 1.00 . A A . 9 ASP HA 1 1 24 9642 1 1 9 ASP HB3 H 3.345 2.712 3.831 1.00 . A A . 9 ASP HB3 1 1 24 9643 1 1 9 ASP N N 5.214 2.986 1.084 1.00 . A A . 9 ASP N 1 1 24 9644 1 1 9 ASP O O 5.031 -0.038 2.596 1.00 . A A . 9 ASP O 1 1 24 9645 1 1 9 ASP OD1 O 5.120 4.607 4.401 1.00 . A A . 9 ASP OD1 1 1 24 9646 1 1 9 ASP OD2 O 3.816 5.553 2.869 1.00 . A A . 9 ASP OD2 1 1 24 9647 1 1 10 CYS C C 4.000 -1.365 0.273 1.00 . A A . 10 CYS C 1 1 24 9648 1 1 10 CYS CA C 2.927 -0.545 0.978 1.00 . A A . 10 CYS CA 1 1 24 9649 1 1 10 CYS CB C 1.615 -0.618 0.187 1.00 . A A . 10 CYS CB 1 1 24 9650 1 1 10 CYS H H 3.017 1.599 0.821 1.00 . A A . 10 CYS H 1 1 24 9651 1 1 10 CYS HA H 2.765 -1.039 1.931 1.00 . A A . 10 CYS HA 1 1 24 9652 1 1 10 CYS HB3 H 1.926 -0.882 -0.783 1.00 . A A . 10 CYS HB3 1 1 24 9653 1 1 10 CYS N N 3.396 0.790 1.291 1.00 . A A . 10 CYS N 1 1 24 9654 1 1 10 CYS O O 4.075 -2.557 0.511 1.00 . A A . 10 CYS O 1 1 24 9655 1 1 10 CYS SG S 0.464 -1.874 0.802 1.00 . A A . 10 CYS SG 1 1 24 9656 1 1 11 GLN C C 6.832 -2.140 -0.391 1.00 . A A . 11 GLN C 1 1 24 9657 1 1 11 GLN CA C 5.823 -1.514 -1.356 1.00 . A A . 11 GLN CA 1 1 24 9658 1 1 11 GLN CB C 6.498 -0.625 -2.409 1.00 . A A . 11 GLN CB 1 1 24 9659 1 1 11 GLN CD C 6.029 0.685 -4.554 1.00 . A A . 11 GLN CD 1 1 24 9660 1 1 11 GLN CG C 5.518 -0.343 -3.554 1.00 . A A . 11 GLN CG 1 1 24 9661 1 1 11 GLN H H 4.695 0.223 -0.779 1.00 . A A . 11 GLN H 1 1 24 9662 1 1 11 GLN HA H 5.337 -2.330 -1.893 1.00 . A A . 11 GLN HA 1 1 24 9663 1 1 11 GLN HB3 H 7.365 -1.148 -2.817 1.00 . A A . 11 GLN HB3 1 1 24 9664 1 1 11 GLN HE21 H 4.361 0.471 -5.691 1.00 . A A . 11 GLN HE21 1 1 24 9665 1 1 11 GLN HE22 H 5.521 1.634 -6.283 1.00 . A A . 11 GLN HE22 1 1 24 9666 1 1 11 GLN HG3 H 4.584 0.029 -3.142 1.00 . A A . 11 GLN HG3 1 1 24 9667 1 1 11 GLN N N 4.802 -0.772 -0.617 1.00 . A A . 11 GLN N 1 1 24 9668 1 1 11 GLN NE2 N 5.241 0.957 -5.591 1.00 . A A . 11 GLN NE2 1 1 24 9669 1 1 11 GLN O O 7.337 -3.230 -0.642 1.00 . A A . 11 GLN O 1 1 24 9670 1 1 11 GLN OE1 O 7.113 1.248 -4.414 1.00 . A A . 11 GLN OE1 1 1 24 9671 1 1 12 GLN C C 7.140 -3.275 2.402 1.00 . A A . 12 GLN C 1 1 24 9672 1 1 12 GLN CA C 7.890 -2.076 1.802 1.00 . A A . 12 GLN CA 1 1 24 9673 1 1 12 GLN CB C 8.237 -1.021 2.862 1.00 . A A . 12 GLN CB 1 1 24 9674 1 1 12 GLN CD C 9.178 1.335 3.132 1.00 . A A . 12 GLN CD 1 1 24 9675 1 1 12 GLN CG C 9.141 0.075 2.274 1.00 . A A . 12 GLN CG 1 1 24 9676 1 1 12 GLN H H 6.702 -0.550 0.868 1.00 . A A . 12 GLN H 1 1 24 9677 1 1 12 GLN HA H 8.828 -2.447 1.385 1.00 . A A . 12 GLN HA 1 1 24 9678 1 1 12 GLN HB3 H 8.758 -1.508 3.687 1.00 . A A . 12 GLN HB3 1 1 24 9679 1 1 12 GLN HE21 H 9.269 0.266 4.863 1.00 . A A . 12 GLN HE21 1 1 24 9680 1 1 12 GLN HE22 H 9.252 2.014 5.024 1.00 . A A . 12 GLN HE22 1 1 24 9681 1 1 12 GLN HG3 H 8.788 0.371 1.288 1.00 . A A . 12 GLN HG3 1 1 24 9682 1 1 12 GLN N N 7.109 -1.472 0.731 1.00 . A A . 12 GLN N 1 1 24 9683 1 1 12 GLN NE2 N 9.256 1.184 4.452 1.00 . A A . 12 GLN NE2 1 1 24 9684 1 1 12 GLN O O 7.746 -4.312 2.662 1.00 . A A . 12 GLN O 1 1 24 9685 1 1 12 GLN OE1 O 9.145 2.445 2.611 1.00 . A A . 12 GLN OE1 1 1 24 9686 1 1 13 TYR C C 4.551 -5.323 2.404 1.00 . A A . 13 TYR C 1 1 24 9687 1 1 13 TYR CA C 5.026 -4.165 3.305 1.00 . A A . 13 TYR CA 1 1 24 9688 1 1 13 TYR CB C 3.826 -3.496 3.991 1.00 . A A . 13 TYR CB 1 1 24 9689 1 1 13 TYR CD1 C 5.102 -2.691 6.036 1.00 . A A . 13 TYR CD1 1 1 24 9690 1 1 13 TYR CD2 C 3.522 -1.173 4.983 1.00 . A A . 13 TYR CD2 1 1 24 9691 1 1 13 TYR CE1 C 5.423 -1.700 6.979 1.00 . A A . 13 TYR CE1 1 1 24 9692 1 1 13 TYR CE2 C 3.840 -0.183 5.928 1.00 . A A . 13 TYR CE2 1 1 24 9693 1 1 13 TYR CG C 4.172 -2.422 5.013 1.00 . A A . 13 TYR CG 1 1 24 9694 1 1 13 TYR CZ C 4.799 -0.443 6.919 1.00 . A A . 13 TYR CZ 1 1 24 9695 1 1 13 TYR H H 5.395 -2.246 2.418 1.00 . A A . 13 TYR H 1 1 24 9696 1 1 13 TYR HA H 5.638 -4.629 4.079 1.00 . A A . 13 TYR HA 1 1 24 9697 1 1 13 TYR HB3 H 3.252 -4.271 4.501 1.00 . A A . 13 TYR HB3 1 1 24 9698 1 1 13 TYR HD1 H 5.565 -3.663 6.117 1.00 . A A . 13 TYR HD1 1 1 24 9699 1 1 13 TYR HD2 H 2.778 -0.961 4.233 1.00 . A A . 13 TYR HD2 1 1 24 9700 1 1 13 TYR HE1 H 6.140 -1.920 7.757 1.00 . A A . 13 TYR HE1 1 1 24 9701 1 1 13 TYR HE2 H 3.348 0.779 5.894 1.00 . A A . 13 TYR HE2 1 1 24 9702 1 1 13 TYR HH H 5.754 0.235 8.481 1.00 . A A . 13 TYR HH 1 1 24 9703 1 1 13 TYR N N 5.831 -3.138 2.638 1.00 . A A . 13 TYR N 1 1 24 9704 1 1 13 TYR O O 4.179 -6.373 2.921 1.00 . A A . 13 TYR O 1 1 24 9705 1 1 13 TYR OH O 5.093 0.513 7.845 1.00 . A A . 13 TYR OH 1 1 24 9706 1 1 14 CYS C C 4.606 -5.991 -1.185 1.00 . A A . 14 CYS C 1 1 24 9707 1 1 14 CYS CA C 3.835 -6.024 0.126 1.00 . A A . 14 CYS CA 1 1 24 9708 1 1 14 CYS CB C 2.395 -5.541 -0.131 1.00 . A A . 14 CYS CB 1 1 24 9709 1 1 14 CYS H H 4.864 -4.273 0.713 1.00 . A A . 14 CYS H 1 1 24 9710 1 1 14 CYS HA H 3.810 -7.047 0.503 1.00 . A A . 14 CYS HA 1 1 24 9711 1 1 14 CYS HB3 H 2.016 -5.914 -1.089 1.00 . A A . 14 CYS HB3 1 1 24 9712 1 1 14 CYS N N 4.507 -5.144 1.081 1.00 . A A . 14 CYS N 1 1 24 9713 1 1 14 CYS O O 4.988 -4.921 -1.644 1.00 . A A . 14 CYS O 1 1 24 9714 1 1 14 CYS SG S 1.205 -6.058 1.134 1.00 . A A . 14 CYS SG 1 1 24 9715 1 1 15 LEU C C 4.736 -6.452 -4.156 1.00 . A A . 15 LEU C 1 1 24 9716 1 1 15 LEU CA C 5.494 -7.251 -3.089 1.00 . A A . 15 LEU CA 1 1 24 9717 1 1 15 LEU CB C 5.661 -8.735 -3.467 1.00 . A A . 15 LEU CB 1 1 24 9718 1 1 15 LEU CD1 C 6.840 -8.323 -5.720 1.00 . A A . 15 LEU CD1 1 1 24 9719 1 1 15 LEU CD2 C 8.198 -8.879 -3.685 1.00 . A A . 15 LEU CD2 1 1 24 9720 1 1 15 LEU CG C 6.848 -9.078 -4.386 1.00 . A A . 15 LEU CG 1 1 24 9721 1 1 15 LEU H H 4.480 -8.006 -1.372 1.00 . A A . 15 LEU H 1 1 24 9722 1 1 15 LEU HA H 6.477 -6.800 -2.951 1.00 . A A . 15 LEU HA 1 1 24 9723 1 1 15 LEU HB3 H 4.740 -9.092 -3.932 1.00 . A A . 15 LEU HB3 1 1 24 9724 1 1 15 LEU HD11 H 7.101 -7.276 -5.568 1.00 . A A . 15 LEU HD11 1 1 24 9725 1 1 15 LEU HD12 H 7.579 -8.764 -6.388 1.00 . A A . 15 LEU HD12 1 1 24 9726 1 1 15 LEU HD13 H 5.860 -8.395 -6.188 1.00 . A A . 15 LEU HD13 1 1 24 9727 1 1 15 LEU HD21 H 8.391 -7.824 -3.496 1.00 . A A . 15 LEU HD21 1 1 24 9728 1 1 15 LEU HD22 H 8.211 -9.421 -2.739 1.00 . A A . 15 LEU HD22 1 1 24 9729 1 1 15 LEU HD23 H 8.997 -9.267 -4.320 1.00 . A A . 15 LEU HD23 1 1 24 9730 1 1 15 LEU HG H 6.764 -10.140 -4.618 1.00 . A A . 15 LEU HG 1 1 24 9731 1 1 15 LEU N N 4.795 -7.155 -1.814 1.00 . A A . 15 LEU N 1 1 24 9732 1 1 15 LEU O O 5.327 -5.642 -4.863 1.00 . A A . 15 LEU O 1 1 24 9733 1 1 16 THR C C 1.378 -5.299 -4.575 1.00 . A A . 16 THR C 1 1 24 9734 1 1 16 THR CA C 2.564 -6.002 -5.245 1.00 . A A . 16 THR CA 1 1 24 9735 1 1 16 THR CB C 2.084 -7.018 -6.293 1.00 . A A . 16 THR CB 1 1 24 9736 1 1 16 THR CG2 C 1.414 -6.306 -7.470 1.00 . A A . 16 THR CG2 1 1 24 9737 1 1 16 THR H H 2.988 -7.323 -3.624 1.00 . A A . 16 THR H 1 1 24 9738 1 1 16 THR HA H 3.131 -5.239 -5.779 1.00 . A A . 16 THR HA 1 1 24 9739 1 1 16 THR HB H 1.373 -7.712 -5.839 1.00 . A A . 16 THR HB 1 1 24 9740 1 1 16 THR HG1 H 3.660 -8.137 -6.063 1.00 . A A . 16 THR HG1 1 1 24 9741 1 1 16 THR HG21 H 1.094 -7.043 -8.208 1.00 . A A . 16 THR HG21 1 1 24 9742 1 1 16 THR HG22 H 0.545 -5.741 -7.133 1.00 . A A . 16 THR HG22 1 1 24 9743 1 1 16 THR HG23 H 2.124 -5.620 -7.936 1.00 . A A . 16 THR HG23 1 1 24 9744 1 1 16 THR N N 3.417 -6.671 -4.262 1.00 . A A . 16 THR N 1 1 24 9745 1 1 16 THR O O 0.267 -5.841 -4.540 1.00 . A A . 16 THR O 1 1 24 9746 1 1 16 THR OG1 O 3.179 -7.753 -6.798 1.00 . A A . 16 THR OG1 1 1 24 9747 1 1 17 PRO C C -0.499 -2.894 -4.606 1.00 . A A . 17 PRO C 1 1 24 9748 1 1 17 PRO CA C 0.480 -3.324 -3.518 1.00 . A A . 17 PRO CA 1 1 24 9749 1 1 17 PRO CB C 1.073 -2.179 -2.699 1.00 . A A . 17 PRO CB 1 1 24 9750 1 1 17 PRO CD C 2.752 -3.665 -3.329 1.00 . A A . 17 PRO CD 1 1 24 9751 1 1 17 PRO CG C 2.569 -2.236 -2.920 1.00 . A A . 17 PRO CG 1 1 24 9752 1 1 17 PRO HA H 0.039 -4.005 -2.808 1.00 . A A . 17 PRO HA 1 1 24 9753 1 1 17 PRO HB3 H 0.801 -2.323 -1.663 1.00 . A A . 17 PRO HB3 1 1 24 9754 1 1 17 PRO HD3 H 2.656 -4.119 -2.372 1.00 . A A . 17 PRO HD3 1 1 24 9755 1 1 17 PRO HG3 H 3.137 -2.053 -2.025 1.00 . A A . 17 PRO HG3 1 1 24 9756 1 1 17 PRO N N 1.575 -4.088 -4.038 1.00 . A A . 17 PRO N 1 1 24 9757 1 1 17 PRO O O -0.151 -2.826 -5.784 1.00 . A A . 17 PRO O 1 1 24 9758 1 1 18 ASP C C -2.467 -0.449 -4.903 1.00 . A A . 18 ASP C 1 1 24 9759 1 1 18 ASP CA C -2.726 -1.946 -5.009 1.00 . A A . 18 ASP CA 1 1 24 9760 1 1 18 ASP CB C -4.130 -2.334 -4.519 1.00 . A A . 18 ASP CB 1 1 24 9761 1 1 18 ASP CG C -5.255 -1.865 -5.436 1.00 . A A . 18 ASP CG 1 1 24 9762 1 1 18 ASP H H -1.913 -2.643 -3.198 1.00 . A A . 18 ASP H 1 1 24 9763 1 1 18 ASP HA H -2.601 -2.235 -6.047 1.00 . A A . 18 ASP HA 1 1 24 9764 1 1 18 ASP HB3 H -4.288 -1.881 -3.551 1.00 . A A . 18 ASP HB3 1 1 24 9765 1 1 18 ASP N N -1.731 -2.608 -4.191 1.00 . A A . 18 ASP N 1 1 24 9766 1 1 18 ASP O O -2.175 0.211 -5.897 1.00 . A A . 18 ASP O 1 1 24 9767 1 1 18 ASP OD1 O -5.019 -1.822 -6.663 1.00 . A A . 18 ASP OD1 1 1 24 9768 1 1 18 ASP OD2 O -6.342 -1.552 -4.897 1.00 . A A . 18 ASP OD2 1 1 24 9769 1 1 19 ARG C C -2.153 1.749 -1.964 1.00 . A A . 19 ARG C 1 1 24 9770 1 1 19 ARG CA C -2.427 1.513 -3.442 1.00 . A A . 19 ARG CA 1 1 24 9771 1 1 19 ARG CB C -3.718 2.266 -3.819 1.00 . A A . 19 ARG CB 1 1 24 9772 1 1 19 ARG CD C -6.243 2.026 -4.422 1.00 . A A . 19 ARG CD 1 1 24 9773 1 1 19 ARG CG C -4.969 1.400 -3.842 1.00 . A A . 19 ARG CG 1 1 24 9774 1 1 19 ARG CZ C -8.219 0.611 -3.765 1.00 . A A . 19 ARG CZ 1 1 24 9775 1 1 19 ARG H H -2.884 -0.466 -2.893 1.00 . A A . 19 ARG H 1 1 24 9776 1 1 19 ARG HA H -1.589 1.905 -4.022 1.00 . A A . 19 ARG HA 1 1 24 9777 1 1 19 ARG HB3 H -3.593 2.789 -4.768 1.00 . A A . 19 ARG HB3 1 1 24 9778 1 1 19 ARG HD3 H -6.017 2.409 -5.418 1.00 . A A . 19 ARG HD3 1 1 24 9779 1 1 19 ARG HE H -6.749 0.111 -4.959 1.00 . A A . 19 ARG HE 1 1 24 9780 1 1 19 ARG HG3 H -5.113 0.975 -2.855 1.00 . A A . 19 ARG HG3 1 1 24 9781 1 1 19 ARG HH11 H -8.742 2.520 -3.335 1.00 . A A . 19 ARG HH11 1 1 24 9782 1 1 19 ARG HH12 H -9.601 1.312 -2.402 1.00 . A A . 19 ARG HH12 1 1 24 9783 1 1 19 ARG HH21 H -7.815 -1.325 -4.080 1.00 . A A . 19 ARG HH21 1 1 24 9784 1 1 19 ARG HH22 H -9.218 -1.048 -3.036 1.00 . A A . 19 ARG HH22 1 1 24 9785 1 1 19 ARG N N -2.569 0.091 -3.682 1.00 . A A . 19 ARG N 1 1 24 9786 1 1 19 ARG NE N -7.197 0.933 -4.563 1.00 . A A . 19 ARG NE 1 1 24 9787 1 1 19 ARG NH1 N -8.922 1.551 -3.123 1.00 . A A . 19 ARG NH1 1 1 24 9788 1 1 19 ARG NH2 N -8.486 -0.688 -3.625 1.00 . A A . 19 ARG NH2 1 1 24 9789 1 1 19 ARG O O -2.643 1.009 -1.118 1.00 . A A . 19 ARG O 1 1 24 9790 1 1 20 CYS C C -3.054 4.409 -0.747 1.00 . A A . 20 CYS C 1 1 24 9791 1 1 20 CYS CA C -1.808 3.584 -0.438 1.00 . A A . 20 CYS CA 1 1 24 9792 1 1 20 CYS CB C -0.646 4.483 -0.026 1.00 . A A . 20 CYS CB 1 1 24 9793 1 1 20 CYS H H -1.186 3.434 -2.438 1.00 . A A . 20 CYS H 1 1 24 9794 1 1 20 CYS HA H -2.007 2.890 0.376 1.00 . A A . 20 CYS HA 1 1 24 9795 1 1 20 CYS HB3 H -0.446 5.196 -0.825 1.00 . A A . 20 CYS HB3 1 1 24 9796 1 1 20 CYS N N -1.498 2.869 -1.665 1.00 . A A . 20 CYS N 1 1 24 9797 1 1 20 CYS O O -3.013 5.258 -1.637 1.00 . A A . 20 CYS O 1 1 24 9798 1 1 20 CYS SG S -1.018 5.392 1.492 1.00 . A A . 20 CYS SG 1 1 24 9799 1 1 21 SER C C -6.397 4.607 0.745 1.00 . A A . 21 SER C 1 1 24 9800 1 1 21 SER CA C -5.463 4.733 -0.453 1.00 . A A . 21 SER CA 1 1 24 9801 1 1 21 SER CB C -6.038 4.101 -1.730 1.00 . A A . 21 SER CB 1 1 24 9802 1 1 21 SER H H -4.236 3.350 0.551 1.00 . A A . 21 SER H 1 1 24 9803 1 1 21 SER HA H -5.301 5.800 -0.617 1.00 . A A . 21 SER HA 1 1 24 9804 1 1 21 SER HB3 H -7.115 4.230 -1.708 1.00 . A A . 21 SER HB3 1 1 24 9805 1 1 21 SER HG H -4.604 5.067 -2.637 1.00 . A A . 21 SER HG 1 1 24 9806 1 1 21 SER N N -4.198 4.099 -0.136 1.00 . A A . 21 SER N 1 1 24 9807 1 1 21 SER O O -6.334 3.612 1.456 1.00 . A A . 21 SER O 1 1 24 9808 1 1 21 SER OG O -5.522 4.825 -2.828 1.00 . A A . 21 SER OG 1 1 24 9809 1 1 22 TYR C C -7.172 5.459 3.474 1.00 . A A . 22 TYR C 1 1 24 9810 1 1 22 TYR CA C -8.034 5.712 2.226 1.00 . A A . 22 TYR CA 1 1 24 9811 1 1 22 TYR CB C -9.239 4.760 2.146 1.00 . A A . 22 TYR CB 1 1 24 9812 1 1 22 TYR CD1 C -10.076 4.586 -0.246 1.00 . A A . 22 TYR CD1 1 1 24 9813 1 1 22 TYR CD2 C -11.368 5.882 1.358 1.00 . A A . 22 TYR CD2 1 1 24 9814 1 1 22 TYR CE1 C -11.037 4.850 -1.236 1.00 . A A . 22 TYR CE1 1 1 24 9815 1 1 22 TYR CE2 C -12.326 6.150 0.366 1.00 . A A . 22 TYR CE2 1 1 24 9816 1 1 22 TYR CG C -10.242 5.092 1.057 1.00 . A A . 22 TYR CG 1 1 24 9817 1 1 22 TYR CZ C -12.164 5.633 -0.929 1.00 . A A . 22 TYR CZ 1 1 24 9818 1 1 22 TYR H H -7.244 6.413 0.378 1.00 . A A . 22 TYR H 1 1 24 9819 1 1 22 TYR HA H -8.418 6.730 2.304 1.00 . A A . 22 TYR HA 1 1 24 9820 1 1 22 TYR HB3 H -9.768 4.796 3.101 1.00 . A A . 22 TYR HB3 1 1 24 9821 1 1 22 TYR HD1 H -9.209 3.997 -0.491 1.00 . A A . 22 TYR HD1 1 1 24 9822 1 1 22 TYR HD2 H -11.507 6.277 2.354 1.00 . A A . 22 TYR HD2 1 1 24 9823 1 1 22 TYR HE1 H -10.903 4.458 -2.233 1.00 . A A . 22 TYR HE1 1 1 24 9824 1 1 22 TYR HE2 H -13.193 6.750 0.601 1.00 . A A . 22 TYR HE2 1 1 24 9825 1 1 22 TYR HH H -12.906 5.503 -2.733 1.00 . A A . 22 TYR HH 1 1 24 9826 1 1 22 TYR N N -7.225 5.624 1.008 1.00 . A A . 22 TYR N 1 1 24 9827 1 1 22 TYR O O -7.560 4.720 4.375 1.00 . A A . 22 TYR O 1 1 24 9828 1 1 22 TYR OH O -13.104 5.894 -1.881 1.00 . A A . 22 TYR OH 1 1 24 9829 1 1 23 GLY C C -4.640 4.423 4.888 1.00 . A A . 23 GLY C 1 1 24 9830 1 1 23 GLY CA C -5.000 5.883 4.580 1.00 . A A . 23 GLY CA 1 1 24 9831 1 1 23 GLY H H -5.709 6.636 2.724 1.00 . A A . 23 GLY H 1 1 24 9832 1 1 23 GLY HA2 H -4.086 6.410 4.301 1.00 . A A . 23 GLY HA2 1 1 24 9833 1 1 23 GLY HA3 H -5.410 6.347 5.475 1.00 . A A . 23 GLY HA3 1 1 24 9834 1 1 23 GLY N N -5.966 6.041 3.496 1.00 . A A . 23 GLY N 1 1 24 9835 1 1 23 GLY O O -4.100 4.129 5.956 1.00 . A A . 23 GLY O 1 1 24 9836 1 1 24 THR C C -3.849 1.624 2.968 1.00 . A A . 24 THR C 1 1 24 9837 1 1 24 THR CA C -4.796 2.081 4.072 1.00 . A A . 24 THR CA 1 1 24 9838 1 1 24 THR CB C -6.189 1.445 3.922 1.00 . A A . 24 THR CB 1 1 24 9839 1 1 24 THR CG2 C -6.172 -0.072 4.129 1.00 . A A . 24 THR CG2 1 1 24 9840 1 1 24 THR H H -5.307 3.836 3.071 1.00 . A A . 24 THR H 1 1 24 9841 1 1 24 THR HA H -4.395 1.835 5.047 1.00 . A A . 24 THR HA 1 1 24 9842 1 1 24 THR HB H -6.577 1.639 2.922 1.00 . A A . 24 THR HB 1 1 24 9843 1 1 24 THR HG1 H -7.170 2.954 4.696 1.00 . A A . 24 THR HG1 1 1 24 9844 1 1 24 THR HG21 H -5.847 -0.308 5.140 1.00 . A A . 24 THR HG21 1 1 24 9845 1 1 24 THR HG22 H -7.180 -0.463 3.987 1.00 . A A . 24 THR HG22 1 1 24 9846 1 1 24 THR HG23 H -5.506 -0.554 3.412 1.00 . A A . 24 THR HG23 1 1 24 9847 1 1 24 THR N N -4.925 3.519 3.949 1.00 . A A . 24 THR N 1 1 24 9848 1 1 24 THR O O -3.990 2.066 1.828 1.00 . A A . 24 THR O 1 1 24 9849 1 1 24 THR OG1 O -7.074 2.009 4.870 1.00 . A A . 24 THR OG1 1 1 24 9850 1 1 25 CYS C C -2.708 -1.069 1.722 1.00 . A A . 25 CYS C 1 1 24 9851 1 1 25 CYS CA C -2.017 0.195 2.253 1.00 . A A . 25 CYS CA 1 1 24 9852 1 1 25 CYS CB C -0.547 0.107 2.710 1.00 . A A . 25 CYS CB 1 1 24 9853 1 1 25 CYS H H -2.841 0.374 4.222 1.00 . A A . 25 CYS H 1 1 24 9854 1 1 25 CYS HA H -1.960 0.889 1.416 1.00 . A A . 25 CYS HA 1 1 24 9855 1 1 25 CYS HB3 H -0.419 0.618 3.661 1.00 . A A . 25 CYS HB3 1 1 24 9856 1 1 25 CYS N N -2.875 0.767 3.285 1.00 . A A . 25 CYS N 1 1 24 9857 1 1 25 CYS O O -2.635 -2.156 2.289 1.00 . A A . 25 CYS O 1 1 24 9858 1 1 25 CYS SG S 0.249 -1.492 2.821 1.00 . A A . 25 CYS SG 1 1 24 9859 1 1 26 TYR C C -3.159 -2.775 -0.797 1.00 . A A . 26 TYR C 1 1 24 9860 1 1 26 TYR CA C -4.190 -1.939 -0.049 1.00 . A A . 26 TYR CA 1 1 24 9861 1 1 26 TYR CB C -5.137 -1.309 -1.077 1.00 . A A . 26 TYR CB 1 1 24 9862 1 1 26 TYR CD1 C -6.532 0.597 -0.166 1.00 . A A . 26 TYR CD1 1 1 24 9863 1 1 26 TYR CD2 C -7.595 -1.549 -0.588 1.00 . A A . 26 TYR CD2 1 1 24 9864 1 1 26 TYR CE1 C -7.800 1.187 -0.031 1.00 . A A . 26 TYR CE1 1 1 24 9865 1 1 26 TYR CE2 C -8.859 -0.948 -0.485 1.00 . A A . 26 TYR CE2 1 1 24 9866 1 1 26 TYR CG C -6.433 -0.758 -0.522 1.00 . A A . 26 TYR CG 1 1 24 9867 1 1 26 TYR CZ C -8.960 0.430 -0.247 1.00 . A A . 26 TYR CZ 1 1 24 9868 1 1 26 TYR H H -3.453 0.027 0.210 1.00 . A A . 26 TYR H 1 1 24 9869 1 1 26 TYR HA H -4.752 -2.562 0.649 1.00 . A A . 26 TYR HA 1 1 24 9870 1 1 26 TYR HB3 H -5.430 -2.081 -1.783 1.00 . A A . 26 TYR HB3 1 1 24 9871 1 1 26 TYR HD1 H -5.643 1.207 -0.100 1.00 . A A . 26 TYR HD1 1 1 24 9872 1 1 26 TYR HD2 H -7.526 -2.596 -0.848 1.00 . A A . 26 TYR HD2 1 1 24 9873 1 1 26 TYR HE1 H -7.878 2.247 0.127 1.00 . A A . 26 TYR HE1 1 1 24 9874 1 1 26 TYR HE2 H -9.751 -1.536 -0.650 1.00 . A A . 26 TYR HE2 1 1 24 9875 1 1 26 TYR HH H -10.299 1.827 -0.072 1.00 . A A . 26 TYR HH 1 1 24 9876 1 1 26 TYR N N -3.491 -0.882 0.659 1.00 . A A . 26 TYR N 1 1 24 9877 1 1 26 TYR O O -2.366 -2.188 -1.538 1.00 . A A . 26 TYR O 1 1 24 9878 1 1 26 TYR OH O -10.096 1.078 -0.641 1.00 . A A . 26 TYR OH 1 1 24 9879 1 1 27 CYS C C -3.130 -5.850 -2.408 1.00 . A A . 27 CYS C 1 1 24 9880 1 1 27 CYS CA C -2.334 -5.015 -1.415 1.00 . A A . 27 CYS CA 1 1 24 9881 1 1 27 CYS CB C -1.430 -5.879 -0.525 1.00 . A A . 27 CYS CB 1 1 24 9882 1 1 27 CYS H H -3.878 -4.537 -0.055 1.00 . A A . 27 CYS H 1 1 24 9883 1 1 27 CYS HA H -1.693 -4.398 -2.008 1.00 . A A . 27 CYS HA 1 1 24 9884 1 1 27 CYS HB3 H -0.691 -6.355 -1.169 1.00 . A A . 27 CYS HB3 1 1 24 9885 1 1 27 CYS N N -3.193 -4.110 -0.659 1.00 . A A . 27 CYS N 1 1 24 9886 1 1 27 CYS O O -4.249 -6.254 -2.111 1.00 . A A . 27 CYS O 1 1 24 9887 1 1 27 CYS SG S -0.502 -4.950 0.707 1.00 . A A . 27 CYS SG 1 1 24 9888 1 1 28 LYS C C -3.336 -8.273 -4.445 1.00 . A A . 28 LYS C 1 1 24 9889 1 1 28 LYS CA C -3.253 -6.763 -4.677 1.00 . A A . 28 LYS CA 1 1 24 9890 1 1 28 LYS CB C -2.526 -6.420 -5.988 1.00 . A A . 28 LYS CB 1 1 24 9891 1 1 28 LYS CD C -3.188 -5.565 -8.314 1.00 . A A . 28 LYS CD 1 1 24 9892 1 1 28 LYS CE C -3.276 -4.127 -7.776 1.00 . A A . 28 LYS CE 1 1 24 9893 1 1 28 LYS CG C -3.484 -6.554 -7.175 1.00 . A A . 28 LYS CG 1 1 24 9894 1 1 28 LYS H H -1.639 -5.750 -3.839 1.00 . A A . 28 LYS H 1 1 24 9895 1 1 28 LYS HA H -4.267 -6.361 -4.697 1.00 . A A . 28 LYS HA 1 1 24 9896 1 1 28 LYS HB3 H -1.663 -7.072 -6.128 1.00 . A A . 28 LYS HB3 1 1 24 9897 1 1 28 LYS HD3 H -3.917 -5.739 -9.108 1.00 . A A . 28 LYS HD3 1 1 24 9898 1 1 28 LYS HE3 H -2.267 -3.737 -7.629 1.00 . A A . 28 LYS HE3 1 1 24 9899 1 1 28 LYS HG3 H -4.495 -6.359 -6.821 1.00 . A A . 28 LYS HG3 1 1 24 9900 1 1 28 LYS HZ1 H -4.932 -3.601 -8.891 1.00 . A A . 28 LYS HZ1 1 1 24 9901 1 1 28 LYS HZ2 H -4.281 -2.392 -8.030 1.00 . A A . 28 LYS HZ2 1 1 24 9902 1 1 28 LYS HZ3 H -3.528 -2.890 -9.429 1.00 . A A . 28 LYS HZ3 1 1 24 9903 1 1 28 LYS N N -2.562 -6.088 -3.599 1.00 . A A . 28 LYS N 1 1 24 9904 1 1 28 LYS NZ N -4.049 -3.197 -8.622 1.00 . A A . 28 LYS NZ 1 1 24 9905 1 1 28 LYS O O -4.145 -8.955 -5.069 1.00 . A A . 28 LYS O 1 1 24 9906 1 1 29 THR C C -1.704 -10.096 -1.768 1.00 . A A . 29 THR C 1 1 24 9907 1 1 29 THR CA C -2.492 -10.154 -3.080 1.00 . A A . 29 THR CA 1 1 24 9908 1 1 29 THR CB C -1.912 -11.096 -4.156 1.00 . A A . 29 THR CB 1 1 24 9909 1 1 29 THR CG2 C -0.491 -10.711 -4.591 1.00 . A A . 29 THR CG2 1 1 24 9910 1 1 29 THR H H -1.870 -8.201 -3.026 1.00 . A A . 29 THR H 1 1 24 9911 1 1 29 THR HA H -3.516 -10.457 -2.851 1.00 . A A . 29 THR HA 1 1 24 9912 1 1 29 THR HB H -2.552 -11.055 -5.039 1.00 . A A . 29 THR HB 1 1 24 9913 1 1 29 THR HG1 H -2.802 -12.773 -3.703 1.00 . A A . 29 THR HG1 1 1 24 9914 1 1 29 THR HG21 H -0.484 -9.708 -5.015 1.00 . A A . 29 THR HG21 1 1 24 9915 1 1 29 THR HG22 H 0.200 -10.753 -3.749 1.00 . A A . 29 THR HG22 1 1 24 9916 1 1 29 THR HG23 H -0.153 -11.413 -5.353 1.00 . A A . 29 THR HG23 1 1 24 9917 1 1 29 THR N N -2.490 -8.795 -3.558 1.00 . A A . 29 THR N 1 1 24 9918 1 1 29 THR O O -1.625 -9.037 -1.142 1.00 . A A . 29 THR O 1 1 24 9919 1 1 29 THR OG1 O -1.901 -12.433 -3.697 1.00 . A A . 29 THR OG1 1 1 24 9920 1 1 30 THR C C 0.898 -10.588 -0.056 1.00 . A A . 30 THR C 1 1 24 9921 1 1 30 THR CA C -0.398 -11.411 -0.118 1.00 . A A . 30 THR CA 1 1 24 9922 1 1 30 THR CB C -0.154 -12.919 0.052 1.00 . A A . 30 THR CB 1 1 24 9923 1 1 30 THR CG2 C 0.156 -13.284 1.507 1.00 . A A . 30 THR CG2 1 1 24 9924 1 1 30 THR H H -1.226 -12.009 -1.985 1.00 . A A . 30 THR H 1 1 24 9925 1 1 30 THR HA H -1.058 -11.081 0.685 1.00 . A A . 30 THR HA 1 1 24 9926 1 1 30 THR HB H 0.674 -13.235 -0.587 1.00 . A A . 30 THR HB 1 1 24 9927 1 1 30 THR HG1 H -1.151 -14.564 -0.293 1.00 . A A . 30 THR HG1 1 1 24 9928 1 1 30 THR HG21 H 0.323 -14.357 1.591 1.00 . A A . 30 THR HG21 1 1 24 9929 1 1 30 THR HG22 H 1.055 -12.765 1.841 1.00 . A A . 30 THR HG22 1 1 24 9930 1 1 30 THR HG23 H -0.681 -13.004 2.149 1.00 . A A . 30 THR HG23 1 1 24 9931 1 1 30 THR N N -1.097 -11.209 -1.377 1.00 . A A . 30 THR N 1 1 24 9932 1 1 30 THR O O 1.998 -11.125 -0.122 1.00 . A A . 30 THR O 1 1 24 9933 1 1 30 THR OG1 O -1.317 -13.620 -0.354 1.00 . A A . 30 THR OG1 1 1 24 9934 1 1 31 NH2 HN1 H -0.151 -8.860 0.031 1.00 . A A . 31 NH2 HN1 1 1 24 9935 1 1 31 NH2 HN2 H 1.595 -8.691 0.167 1.00 . A A . 31 NH2 HN2 1 1 24 9936 1 1 31 NH2 N N 0.777 -9.270 0.074 1.00 . A A . 31 NH2 N 1 1 25 9937 1 1 1 PCA C C -0.956 9.328 6.899 1.00 . A A . 1 PCA C 1 1 25 9938 1 1 1 PCA CA C 0.085 10.035 6.034 1.00 . A A . 1 PCA CA 1 1 25 9939 1 1 1 PCA CB C 1.474 9.887 6.668 1.00 . A A . 1 PCA CB 1 1 25 9940 1 1 1 PCA CD C 0.561 12.090 6.952 1.00 . A A . 1 PCA CD 1 1 25 9941 1 1 1 PCA CG C 1.517 11.100 7.598 1.00 . A A . 1 PCA CG 1 1 25 9942 1 1 1 PCA HA H 0.062 9.635 5.021 1.00 . A A . 1 PCA HA 1 1 25 9943 1 1 1 PCA HB2 H 2.236 10.001 5.897 1.00 . A A . 1 PCA HB2 1 1 25 9944 1 1 1 PCA HB3 H 1.614 8.943 7.197 1.00 . A A . 1 PCA HB3 1 1 25 9945 1 1 1 PCA HG2 H 1.140 10.834 8.586 1.00 . A A . 1 PCA HG2 1 1 25 9946 1 1 1 PCA HG3 H 2.527 11.504 7.675 1.00 . A A . 1 PCA HG3 1 1 25 9947 1 1 1 PCA N N -0.160 11.466 6.022 1.00 . A A . 1 PCA N 1 1 25 9948 1 1 1 PCA O O -1.648 9.954 7.700 1.00 . A A . 1 PCA O 1 1 25 9949 1 1 1 PCA OE O 0.616 13.288 7.174 1.00 . A A . 1 PCA OE 1 1 25 9950 1 1 2 THR C C -1.173 5.855 7.829 1.00 . A A . 2 THR C 1 1 25 9951 1 1 2 THR CA C -1.889 7.191 7.640 1.00 . A A . 2 THR CA 1 1 25 9952 1 1 2 THR CB C -3.332 7.144 7.116 1.00 . A A . 2 THR CB 1 1 25 9953 1 1 2 THR CG2 C -4.315 6.552 8.132 1.00 . A A . 2 THR CG2 1 1 25 9954 1 1 2 THR H H -0.524 7.544 6.035 1.00 . A A . 2 THR H 1 1 25 9955 1 1 2 THR HA H -1.934 7.608 8.637 1.00 . A A . 2 THR HA 1 1 25 9956 1 1 2 THR HB H -3.335 6.579 6.188 1.00 . A A . 2 THR HB 1 1 25 9957 1 1 2 THR HG1 H -3.255 9.086 7.303 1.00 . A A . 2 THR HG1 1 1 25 9958 1 1 2 THR HG21 H -4.328 7.169 9.032 1.00 . A A . 2 THR HG21 1 1 25 9959 1 1 2 THR HG22 H -5.318 6.546 7.702 1.00 . A A . 2 THR HG22 1 1 25 9960 1 1 2 THR HG23 H -4.052 5.533 8.407 1.00 . A A . 2 THR HG23 1 1 25 9961 1 1 2 THR N N -1.069 8.010 6.756 1.00 . A A . 2 THR N 1 1 25 9962 1 1 2 THR O O -0.046 5.848 8.319 1.00 . A A . 2 THR O 1 1 25 9963 1 1 2 THR OG1 O -3.787 8.446 6.807 1.00 . A A . 2 THR OG1 1 1 25 9964 1 1 3 GLN C C 0.164 3.579 6.413 1.00 . A A . 3 GLN C 1 1 25 9965 1 1 3 GLN CA C -1.033 3.471 7.360 1.00 . A A . 3 GLN CA 1 1 25 9966 1 1 3 GLN CB C -1.945 2.336 6.895 1.00 . A A . 3 GLN CB 1 1 25 9967 1 1 3 GLN CD C -3.987 0.977 7.464 1.00 . A A . 3 GLN CD 1 1 25 9968 1 1 3 GLN CG C -3.130 2.123 7.838 1.00 . A A . 3 GLN CG 1 1 25 9969 1 1 3 GLN H H -2.691 4.798 7.009 1.00 . A A . 3 GLN H 1 1 25 9970 1 1 3 GLN HA H -0.663 3.234 8.359 1.00 . A A . 3 GLN HA 1 1 25 9971 1 1 3 GLN HB3 H -1.358 1.415 6.856 1.00 . A A . 3 GLN HB3 1 1 25 9972 1 1 3 GLN HE21 H -5.196 1.568 8.996 1.00 . A A . 3 GLN HE21 1 1 25 9973 1 1 3 GLN HE22 H -5.433 0.008 8.293 1.00 . A A . 3 GLN HE22 1 1 25 9974 1 1 3 GLN HG3 H -3.840 2.937 7.867 1.00 . A A . 3 GLN HG3 1 1 25 9975 1 1 3 GLN N N -1.761 4.738 7.404 1.00 . A A . 3 GLN N 1 1 25 9976 1 1 3 GLN NE2 N -5.013 0.882 8.280 1.00 . A A . 3 GLN NE2 1 1 25 9977 1 1 3 GLN O O 1.159 2.883 6.583 1.00 . A A . 3 GLN O 1 1 25 9978 1 1 3 GLN OE1 O -3.717 0.184 6.567 1.00 . A A . 3 GLN OE1 1 1 25 9979 1 1 4 CYS C C 1.078 6.219 4.155 1.00 . A A . 4 CYS C 1 1 25 9980 1 1 4 CYS CA C 1.046 4.720 4.398 1.00 . A A . 4 CYS CA 1 1 25 9981 1 1 4 CYS CB C 0.717 3.984 3.095 1.00 . A A . 4 CYS CB 1 1 25 9982 1 1 4 CYS H H -0.815 4.974 5.317 1.00 . A A . 4 CYS H 1 1 25 9983 1 1 4 CYS HA H 2.025 4.402 4.759 1.00 . A A . 4 CYS HA 1 1 25 9984 1 1 4 CYS HB3 H 0.953 2.941 3.261 1.00 . A A . 4 CYS HB3 1 1 25 9985 1 1 4 CYS N N 0.035 4.434 5.396 1.00 . A A . 4 CYS N 1 1 25 9986 1 1 4 CYS O O 0.074 6.910 4.346 1.00 . A A . 4 CYS O 1 1 25 9987 1 1 4 CYS SG S -1.006 4.100 2.535 1.00 . A A . 4 CYS SG 1 1 25 9988 1 1 5 GLN C C 1.949 8.056 1.718 1.00 . A A . 5 GLN C 1 1 25 9989 1 1 5 GLN CA C 2.422 8.036 3.173 1.00 . A A . 5 GLN CA 1 1 25 9990 1 1 5 GLN CB C 3.904 8.409 3.270 1.00 . A A . 5 GLN CB 1 1 25 9991 1 1 5 GLN CD C 5.511 10.316 2.851 1.00 . A A . 5 GLN CD 1 1 25 9992 1 1 5 GLN CG C 4.070 9.928 3.157 1.00 . A A . 5 GLN CG 1 1 25 9993 1 1 5 GLN H H 3.061 6.097 3.781 1.00 . A A . 5 GLN H 1 1 25 9994 1 1 5 GLN HA H 1.858 8.778 3.735 1.00 . A A . 5 GLN HA 1 1 25 9995 1 1 5 GLN HB3 H 4.462 7.909 2.477 1.00 . A A . 5 GLN HB3 1 1 25 9996 1 1 5 GLN HE21 H 6.202 9.330 4.491 1.00 . A A . 5 GLN HE21 1 1 25 9997 1 1 5 GLN HE22 H 7.408 10.147 3.513 1.00 . A A . 5 GLN HE22 1 1 25 9998 1 1 5 GLN HG3 H 3.769 10.400 4.091 1.00 . A A . 5 GLN HG3 1 1 25 9999 1 1 5 GLN N N 2.240 6.707 3.726 1.00 . A A . 5 GLN N 1 1 25 10000 1 1 5 GLN NE2 N 6.449 9.900 3.698 1.00 . A A . 5 GLN NE2 1 1 25 10001 1 1 5 GLN O O 1.328 9.018 1.273 1.00 . A A . 5 GLN O 1 1 25 10002 1 1 5 GLN OE1 O 5.787 10.977 1.856 1.00 . A A . 5 GLN OE1 1 1 25 10003 1 1 6 SER C C 2.412 5.442 -0.854 1.00 . A A . 6 SER C 1 1 25 10004 1 1 6 SER CA C 2.091 6.889 -0.475 1.00 . A A . 6 SER CA 1 1 25 10005 1 1 6 SER CB C 3.008 7.871 -1.223 1.00 . A A . 6 SER CB 1 1 25 10006 1 1 6 SER H H 2.725 6.214 1.421 1.00 . A A . 6 SER H 1 1 25 10007 1 1 6 SER HA H 1.051 7.096 -0.724 1.00 . A A . 6 SER HA 1 1 25 10008 1 1 6 SER HB3 H 3.109 7.577 -2.269 1.00 . A A . 6 SER HB3 1 1 25 10009 1 1 6 SER HG H 2.068 9.349 -0.347 1.00 . A A . 6 SER HG 1 1 25 10010 1 1 6 SER N N 2.295 7.011 0.964 1.00 . A A . 6 SER N 1 1 25 10011 1 1 6 SER O O 2.868 4.680 -0.008 1.00 . A A . 6 SER O 1 1 25 10012 1 1 6 SER OG O 2.465 9.175 -1.211 1.00 . A A . 6 SER OG 1 1 25 10013 1 1 7 VAL C C 3.769 3.120 -2.226 1.00 . A A . 7 VAL C 1 1 25 10014 1 1 7 VAL CA C 2.385 3.690 -2.583 1.00 . A A . 7 VAL CA 1 1 25 10015 1 1 7 VAL CB C 2.074 3.682 -4.087 1.00 . A A . 7 VAL CB 1 1 25 10016 1 1 7 VAL CG1 C 3.092 4.464 -4.929 1.00 . A A . 7 VAL CG1 1 1 25 10017 1 1 7 VAL CG2 C 1.950 2.250 -4.588 1.00 . A A . 7 VAL CG2 1 1 25 10018 1 1 7 VAL H H 1.767 5.669 -2.782 1.00 . A A . 7 VAL H 1 1 25 10019 1 1 7 VAL HA H 1.642 3.066 -2.080 1.00 . A A . 7 VAL HA 1 1 25 10020 1 1 7 VAL HB H 1.098 4.148 -4.231 1.00 . A A . 7 VAL HB 1 1 25 10021 1 1 7 VAL HG11 H 3.166 5.494 -4.581 1.00 . A A . 7 VAL HG11 1 1 25 10022 1 1 7 VAL HG12 H 4.075 3.997 -4.880 1.00 . A A . 7 VAL HG12 1 1 25 10023 1 1 7 VAL HG13 H 2.766 4.473 -5.969 1.00 . A A . 7 VAL HG13 1 1 25 10024 1 1 7 VAL HG21 H 2.910 1.744 -4.511 1.00 . A A . 7 VAL HG21 1 1 25 10025 1 1 7 VAL HG22 H 1.207 1.738 -3.980 1.00 . A A . 7 VAL HG22 1 1 25 10026 1 1 7 VAL HG23 H 1.622 2.264 -5.627 1.00 . A A . 7 VAL HG23 1 1 25 10027 1 1 7 VAL N N 2.189 5.048 -2.109 1.00 . A A . 7 VAL N 1 1 25 10028 1 1 7 VAL O O 3.894 1.925 -1.972 1.00 . A A . 7 VAL O 1 1 25 10029 1 1 8 ARG C C 6.057 2.854 -0.342 1.00 . A A . 8 ARG C 1 1 25 10030 1 1 8 ARG CA C 6.131 3.595 -1.682 1.00 . A A . 8 ARG CA 1 1 25 10031 1 1 8 ARG CB C 7.011 4.844 -1.540 1.00 . A A . 8 ARG CB 1 1 25 10032 1 1 8 ARG CD C 8.441 6.545 -2.713 1.00 . A A . 8 ARG CD 1 1 25 10033 1 1 8 ARG CG C 7.513 5.336 -2.901 1.00 . A A . 8 ARG CG 1 1 25 10034 1 1 8 ARG CZ C 10.304 6.236 -4.354 1.00 . A A . 8 ARG CZ 1 1 25 10035 1 1 8 ARG H H 4.636 4.926 -2.425 1.00 . A A . 8 ARG H 1 1 25 10036 1 1 8 ARG HA H 6.610 2.923 -2.389 1.00 . A A . 8 ARG HA 1 1 25 10037 1 1 8 ARG HB3 H 7.879 4.578 -0.933 1.00 . A A . 8 ARG HB3 1 1 25 10038 1 1 8 ARG HD3 H 9.133 6.377 -1.885 1.00 . A A . 8 ARG HD3 1 1 25 10039 1 1 8 ARG HE H 8.837 7.642 -4.483 1.00 . A A . 8 ARG HE 1 1 25 10040 1 1 8 ARG HG3 H 6.668 5.618 -3.534 1.00 . A A . 8 ARG HG3 1 1 25 10041 1 1 8 ARG HH11 H 10.272 4.872 -2.850 1.00 . A A . 8 ARG HH11 1 1 25 10042 1 1 8 ARG HH12 H 11.616 4.701 -3.937 1.00 . A A . 8 ARG HH12 1 1 25 10043 1 1 8 ARG HH21 H 10.597 7.442 -5.981 1.00 . A A . 8 ARG HH21 1 1 25 10044 1 1 8 ARG HH22 H 11.781 6.196 -5.778 1.00 . A A . 8 ARG HH22 1 1 25 10045 1 1 8 ARG N N 4.807 3.963 -2.186 1.00 . A A . 8 ARG N 1 1 25 10046 1 1 8 ARG NE N 9.187 6.862 -3.942 1.00 . A A . 8 ARG NE 1 1 25 10047 1 1 8 ARG NH1 N 10.777 5.191 -3.665 1.00 . A A . 8 ARG NH1 1 1 25 10048 1 1 8 ARG NH2 N 10.942 6.653 -5.453 1.00 . A A . 8 ARG NH2 1 1 25 10049 1 1 8 ARG O O 6.748 1.853 -0.150 1.00 . A A . 8 ARG O 1 1 25 10050 1 1 9 ASP C C 4.552 1.301 1.709 1.00 . A A . 9 ASP C 1 1 25 10051 1 1 9 ASP CA C 5.080 2.717 1.885 1.00 . A A . 9 ASP CA 1 1 25 10052 1 1 9 ASP CB C 4.140 3.538 2.781 1.00 . A A . 9 ASP CB 1 1 25 10053 1 1 9 ASP CG C 4.857 4.156 3.964 1.00 . A A . 9 ASP CG 1 1 25 10054 1 1 9 ASP H H 4.599 4.101 0.351 1.00 . A A . 9 ASP H 1 1 25 10055 1 1 9 ASP HA H 6.072 2.662 2.327 1.00 . A A . 9 ASP HA 1 1 25 10056 1 1 9 ASP HB3 H 3.356 2.898 3.181 1.00 . A A . 9 ASP HB3 1 1 25 10057 1 1 9 ASP N N 5.225 3.339 0.582 1.00 . A A . 9 ASP N 1 1 25 10058 1 1 9 ASP O O 5.118 0.339 2.230 1.00 . A A . 9 ASP O 1 1 25 10059 1 1 9 ASP OD1 O 5.718 3.460 4.545 1.00 . A A . 9 ASP OD1 1 1 25 10060 1 1 9 ASP OD2 O 4.509 5.322 4.249 1.00 . A A . 9 ASP OD2 1 1 25 10061 1 1 10 CYS C C 4.095 -1.035 -0.007 1.00 . A A . 10 CYS C 1 1 25 10062 1 1 10 CYS CA C 3.022 -0.208 0.691 1.00 . A A . 10 CYS CA 1 1 25 10063 1 1 10 CYS CB C 1.687 -0.363 -0.045 1.00 . A A . 10 CYS CB 1 1 25 10064 1 1 10 CYS H H 3.061 1.941 0.464 1.00 . A A . 10 CYS H 1 1 25 10065 1 1 10 CYS HA H 2.899 -0.654 1.675 1.00 . A A . 10 CYS HA 1 1 25 10066 1 1 10 CYS HB3 H 1.982 -0.691 -0.997 1.00 . A A . 10 CYS HB3 1 1 25 10067 1 1 10 CYS N N 3.477 1.146 0.928 1.00 . A A . 10 CYS N 1 1 25 10068 1 1 10 CYS O O 4.167 -2.225 0.243 1.00 . A A . 10 CYS O 1 1 25 10069 1 1 10 CYS SG S 0.602 -1.623 0.680 1.00 . A A . 10 CYS SG 1 1 25 10070 1 1 11 GLN C C 6.910 -1.874 -0.648 1.00 . A A . 11 GLN C 1 1 25 10071 1 1 11 GLN CA C 5.911 -1.234 -1.618 1.00 . A A . 11 GLN CA 1 1 25 10072 1 1 11 GLN CB C 6.599 -0.399 -2.703 1.00 . A A . 11 GLN CB 1 1 25 10073 1 1 11 GLN CD C 6.257 0.708 -4.950 1.00 . A A . 11 GLN CD 1 1 25 10074 1 1 11 GLN CG C 5.677 -0.249 -3.918 1.00 . A A . 11 GLN CG 1 1 25 10075 1 1 11 GLN H H 4.774 0.524 -1.123 1.00 . A A . 11 GLN H 1 1 25 10076 1 1 11 GLN HA H 5.402 -2.052 -2.136 1.00 . A A . 11 GLN HA 1 1 25 10077 1 1 11 GLN HB3 H 7.505 -0.913 -3.031 1.00 . A A . 11 GLN HB3 1 1 25 10078 1 1 11 GLN HE21 H 5.401 2.296 -4.034 1.00 . A A . 11 GLN HE21 1 1 25 10079 1 1 11 GLN HE22 H 6.327 2.645 -5.494 1.00 . A A . 11 GLN HE22 1 1 25 10080 1 1 11 GLN HG3 H 4.700 0.116 -3.603 1.00 . A A . 11 GLN HG3 1 1 25 10081 1 1 11 GLN N N 4.901 -0.458 -0.904 1.00 . A A . 11 GLN N 1 1 25 10082 1 1 11 GLN NE2 N 5.976 1.998 -4.805 1.00 . A A . 11 GLN NE2 1 1 25 10083 1 1 11 GLN O O 7.295 -3.023 -0.847 1.00 . A A . 11 GLN O 1 1 25 10084 1 1 11 GLN OE1 O 6.948 0.299 -5.877 1.00 . A A . 11 GLN OE1 1 1 25 10085 1 1 12 GLN C C 7.325 -2.840 2.252 1.00 . A A . 12 GLN C 1 1 25 10086 1 1 12 GLN CA C 8.125 -1.801 1.444 1.00 . A A . 12 GLN CA 1 1 25 10087 1 1 12 GLN CB C 8.832 -0.726 2.271 1.00 . A A . 12 GLN CB 1 1 25 10088 1 1 12 GLN CD C 8.684 1.133 4.008 1.00 . A A . 12 GLN CD 1 1 25 10089 1 1 12 GLN CG C 7.929 0.275 2.990 1.00 . A A . 12 GLN CG 1 1 25 10090 1 1 12 GLN H H 7.066 -0.217 0.593 1.00 . A A . 12 GLN H 1 1 25 10091 1 1 12 GLN HA H 8.932 -2.348 0.970 1.00 . A A . 12 GLN HA 1 1 25 10092 1 1 12 GLN HB3 H 9.538 -0.182 1.641 1.00 . A A . 12 GLN HB3 1 1 25 10093 1 1 12 GLN HE21 H 7.073 2.418 4.426 1.00 . A A . 12 GLN HE21 1 1 25 10094 1 1 12 GLN HE22 H 8.566 2.691 5.268 1.00 . A A . 12 GLN HE22 1 1 25 10095 1 1 12 GLN HG3 H 7.162 -0.305 3.494 1.00 . A A . 12 GLN HG3 1 1 25 10096 1 1 12 GLN N N 7.323 -1.177 0.418 1.00 . A A . 12 GLN N 1 1 25 10097 1 1 12 GLN NE2 N 8.051 2.143 4.601 1.00 . A A . 12 GLN NE2 1 1 25 10098 1 1 12 GLN O O 7.901 -3.801 2.754 1.00 . A A . 12 GLN O 1 1 25 10099 1 1 12 GLN OE1 O 9.861 0.899 4.267 1.00 . A A . 12 GLN OE1 1 1 25 10100 1 1 13 TYR C C 4.793 -4.877 2.372 1.00 . A A . 13 TYR C 1 1 25 10101 1 1 13 TYR CA C 5.126 -3.571 3.115 1.00 . A A . 13 TYR CA 1 1 25 10102 1 1 13 TYR CB C 3.830 -2.820 3.441 1.00 . A A . 13 TYR CB 1 1 25 10103 1 1 13 TYR CD1 C 3.585 -3.119 5.938 1.00 . A A . 13 TYR CD1 1 1 25 10104 1 1 13 TYR CD2 C 1.871 -4.051 4.482 1.00 . A A . 13 TYR CD2 1 1 25 10105 1 1 13 TYR CE1 C 2.895 -3.607 7.062 1.00 . A A . 13 TYR CE1 1 1 25 10106 1 1 13 TYR CE2 C 1.182 -4.537 5.605 1.00 . A A . 13 TYR CE2 1 1 25 10107 1 1 13 TYR CG C 3.080 -3.350 4.644 1.00 . A A . 13 TYR CG 1 1 25 10108 1 1 13 TYR CZ C 1.695 -4.320 6.895 1.00 . A A . 13 TYR CZ 1 1 25 10109 1 1 13 TYR H H 5.591 -1.831 1.967 1.00 . A A . 13 TYR H 1 1 25 10110 1 1 13 TYR HA H 5.627 -3.825 4.052 1.00 . A A . 13 TYR HA 1 1 25 10111 1 1 13 TYR HB3 H 3.175 -2.846 2.569 1.00 . A A . 13 TYR HB3 1 1 25 10112 1 1 13 TYR HD1 H 4.504 -2.568 6.070 1.00 . A A . 13 TYR HD1 1 1 25 10113 1 1 13 TYR HD2 H 1.460 -4.208 3.497 1.00 . A A . 13 TYR HD2 1 1 25 10114 1 1 13 TYR HE1 H 3.293 -3.427 8.049 1.00 . A A . 13 TYR HE1 1 1 25 10115 1 1 13 TYR HE2 H 0.254 -5.077 5.478 1.00 . A A . 13 TYR HE2 1 1 25 10116 1 1 13 TYR HH H 1.459 -4.593 8.809 1.00 . A A . 13 TYR HH 1 1 25 10117 1 1 13 TYR N N 6.004 -2.668 2.367 1.00 . A A . 13 TYR N 1 1 25 10118 1 1 13 TYR O O 4.616 -5.922 2.993 1.00 . A A . 13 TYR O 1 1 25 10119 1 1 13 TYR OH O 1.022 -4.797 7.979 1.00 . A A . 13 TYR OH 1 1 25 10120 1 1 14 CYS C C 4.763 -5.852 -1.127 1.00 . A A . 14 CYS C 1 1 25 10121 1 1 14 CYS CA C 3.989 -5.783 0.181 1.00 . A A . 14 CYS CA 1 1 25 10122 1 1 14 CYS CB C 2.544 -5.353 -0.136 1.00 . A A . 14 CYS CB 1 1 25 10123 1 1 14 CYS H H 4.865 -3.908 0.632 1.00 . A A . 14 CYS H 1 1 25 10124 1 1 14 CYS HA H 3.980 -6.765 0.656 1.00 . A A . 14 CYS HA 1 1 25 10125 1 1 14 CYS HB3 H 2.198 -5.783 -1.080 1.00 . A A . 14 CYS HB3 1 1 25 10126 1 1 14 CYS N N 4.627 -4.796 1.051 1.00 . A A . 14 CYS N 1 1 25 10127 1 1 14 CYS O O 5.083 -4.822 -1.710 1.00 . A A . 14 CYS O 1 1 25 10128 1 1 14 CYS SG S 1.314 -5.825 1.105 1.00 . A A . 14 CYS SG 1 1 25 10129 1 1 15 LEU C C 4.903 -6.723 -4.085 1.00 . A A . 15 LEU C 1 1 25 10130 1 1 15 LEU CA C 5.719 -7.252 -2.894 1.00 . A A . 15 LEU CA 1 1 25 10131 1 1 15 LEU CB C 6.093 -8.738 -3.066 1.00 . A A . 15 LEU CB 1 1 25 10132 1 1 15 LEU CD1 C 7.849 -8.321 -4.894 1.00 . A A . 15 LEU CD1 1 1 25 10133 1 1 15 LEU CD2 C 8.580 -8.614 -2.504 1.00 . A A . 15 LEU CD2 1 1 25 10134 1 1 15 LEU CG C 7.532 -9.000 -3.557 1.00 . A A . 15 LEU CG 1 1 25 10135 1 1 15 LEU H H 4.735 -7.878 -1.104 1.00 . A A . 15 LEU H 1 1 25 10136 1 1 15 LEU HA H 6.629 -6.655 -2.838 1.00 . A A . 15 LEU HA 1 1 25 10137 1 1 15 LEU HB3 H 5.394 -9.203 -3.764 1.00 . A A . 15 LEU HB3 1 1 25 10138 1 1 15 LEU HD11 H 7.086 -8.576 -5.630 1.00 . A A . 15 LEU HD11 1 1 25 10139 1 1 15 LEU HD12 H 7.894 -7.238 -4.776 1.00 . A A . 15 LEU HD12 1 1 25 10140 1 1 15 LEU HD13 H 8.815 -8.670 -5.255 1.00 . A A . 15 LEU HD13 1 1 25 10141 1 1 15 LEU HD21 H 8.356 -9.106 -1.559 1.00 . A A . 15 LEU HD21 1 1 25 10142 1 1 15 LEU HD22 H 9.565 -8.936 -2.840 1.00 . A A . 15 LEU HD22 1 1 25 10143 1 1 15 LEU HD23 H 8.605 -7.536 -2.347 1.00 . A A . 15 LEU HD23 1 1 25 10144 1 1 15 LEU HG H 7.617 -10.076 -3.712 1.00 . A A . 15 LEU HG 1 1 25 10145 1 1 15 LEU N N 5.009 -7.063 -1.633 1.00 . A A . 15 LEU N 1 1 25 10146 1 1 15 LEU O O 5.462 -6.425 -5.138 1.00 . A A . 15 LEU O 1 1 25 10147 1 1 16 THR C C 1.501 -5.367 -4.444 1.00 . A A . 16 THR C 1 1 25 10148 1 1 16 THR CA C 2.736 -6.064 -5.016 1.00 . A A . 16 THR CA 1 1 25 10149 1 1 16 THR CB C 2.360 -7.149 -6.038 1.00 . A A . 16 THR CB 1 1 25 10150 1 1 16 THR CG2 C 1.799 -6.509 -7.312 1.00 . A A . 16 THR CG2 1 1 25 10151 1 1 16 THR H H 3.142 -6.910 -3.094 1.00 . A A . 16 THR H 1 1 25 10152 1 1 16 THR HA H 3.304 -5.303 -5.554 1.00 . A A . 16 THR HA 1 1 25 10153 1 1 16 THR HB H 1.607 -7.812 -5.611 1.00 . A A . 16 THR HB 1 1 25 10154 1 1 16 THR HG1 H 4.281 -7.362 -6.309 1.00 . A A . 16 THR HG1 1 1 25 10155 1 1 16 THR HG21 H 2.551 -5.857 -7.758 1.00 . A A . 16 THR HG21 1 1 25 10156 1 1 16 THR HG22 H 1.543 -7.292 -8.025 1.00 . A A . 16 THR HG22 1 1 25 10157 1 1 16 THR HG23 H 0.913 -5.919 -7.080 1.00 . A A . 16 THR HG23 1 1 25 10158 1 1 16 THR N N 3.573 -6.624 -3.958 1.00 . A A . 16 THR N 1 1 25 10159 1 1 16 THR O O 0.402 -5.937 -4.434 1.00 . A A . 16 THR O 1 1 25 10160 1 1 16 THR OG1 O 3.492 -7.917 -6.394 1.00 . A A . 16 THR OG1 1 1 25 10161 1 1 17 PRO C C -0.448 -3.027 -4.611 1.00 . A A . 17 PRO C 1 1 25 10162 1 1 17 PRO CA C 0.549 -3.346 -3.502 1.00 . A A . 17 PRO CA 1 1 25 10163 1 1 17 PRO CB C 1.133 -2.119 -2.807 1.00 . A A . 17 PRO CB 1 1 25 10164 1 1 17 PRO CD C 2.847 -3.580 -3.367 1.00 . A A . 17 PRO CD 1 1 25 10165 1 1 17 PRO CG C 2.618 -2.123 -3.098 1.00 . A A . 17 PRO CG 1 1 25 10166 1 1 17 PRO HA H 0.114 -3.957 -2.725 1.00 . A A . 17 PRO HA 1 1 25 10167 1 1 17 PRO HB3 H 0.919 -2.214 -1.753 1.00 . A A . 17 PRO HB3 1 1 25 10168 1 1 17 PRO HD3 H 2.831 -3.926 -2.363 1.00 . A A . 17 PRO HD3 1 1 25 10169 1 1 17 PRO HG3 H 3.213 -1.816 -2.257 1.00 . A A . 17 PRO HG3 1 1 25 10170 1 1 17 PRO N N 1.656 -4.128 -3.963 1.00 . A A . 17 PRO N 1 1 25 10171 1 1 17 PRO O O -0.154 -3.152 -5.800 1.00 . A A . 17 PRO O 1 1 25 10172 1 1 18 ASP C C -2.556 -0.616 -5.016 1.00 . A A . 18 ASP C 1 1 25 10173 1 1 18 ASP CA C -2.723 -2.130 -5.000 1.00 . A A . 18 ASP CA 1 1 25 10174 1 1 18 ASP CB C -4.052 -2.566 -4.354 1.00 . A A . 18 ASP CB 1 1 25 10175 1 1 18 ASP CG C -5.276 -2.316 -5.222 1.00 . A A . 18 ASP CG 1 1 25 10176 1 1 18 ASP H H -1.758 -2.533 -3.183 1.00 . A A . 18 ASP H 1 1 25 10177 1 1 18 ASP HA H -2.653 -2.509 -6.021 1.00 . A A . 18 ASP HA 1 1 25 10178 1 1 18 ASP HB3 H -4.182 -2.021 -3.432 1.00 . A A . 18 ASP HB3 1 1 25 10179 1 1 18 ASP N N -1.642 -2.638 -4.182 1.00 . A A . 18 ASP N 1 1 25 10180 1 1 18 ASP O O -2.341 -0.012 -6.065 1.00 . A A . 18 ASP O 1 1 25 10181 1 1 18 ASP OD1 O -5.181 -2.576 -6.437 1.00 . A A . 18 ASP OD1 1 1 25 10182 1 1 18 ASP OD2 O -6.302 -1.875 -4.646 1.00 . A A . 18 ASP OD2 1 1 25 10183 1 1 19 ARG C C -2.231 1.766 -2.226 1.00 . A A . 19 ARG C 1 1 25 10184 1 1 19 ARG CA C -2.526 1.440 -3.683 1.00 . A A . 19 ARG CA 1 1 25 10185 1 1 19 ARG CB C -3.851 2.123 -4.074 1.00 . A A . 19 ARG CB 1 1 25 10186 1 1 19 ARG CD C -6.402 1.728 -4.531 1.00 . A A . 19 ARG CD 1 1 25 10187 1 1 19 ARG CG C -5.066 1.213 -3.984 1.00 . A A . 19 ARG CG 1 1 25 10188 1 1 19 ARG CZ C -8.251 0.268 -3.634 1.00 . A A . 19 ARG CZ 1 1 25 10189 1 1 19 ARG H H -2.879 -0.511 -2.992 1.00 . A A . 19 ARG H 1 1 25 10190 1 1 19 ARG HA H -1.715 1.825 -4.305 1.00 . A A . 19 ARG HA 1 1 25 10191 1 1 19 ARG HB3 H -3.778 2.578 -5.063 1.00 . A A . 19 ARG HB3 1 1 25 10192 1 1 19 ARG HD3 H -6.256 2.031 -5.571 1.00 . A A . 19 ARG HD3 1 1 25 10193 1 1 19 ARG HE H -6.819 -0.259 -4.860 1.00 . A A . 19 ARG HE 1 1 25 10194 1 1 19 ARG HG3 H -5.147 0.869 -2.962 1.00 . A A . 19 ARG HG3 1 1 25 10195 1 1 19 ARG HH11 H -8.878 2.175 -3.368 1.00 . A A . 19 ARG HH11 1 1 25 10196 1 1 19 ARG HH12 H -9.701 0.999 -2.378 1.00 . A A . 19 ARG HH12 1 1 25 10197 1 1 19 ARG HH21 H -7.735 -1.660 -3.776 1.00 . A A . 19 ARG HH21 1 1 25 10198 1 1 19 ARG HH22 H -9.089 -1.369 -2.673 1.00 . A A . 19 ARG HH22 1 1 25 10199 1 1 19 ARG N N -2.623 0.003 -3.832 1.00 . A A . 19 ARG N 1 1 25 10200 1 1 19 ARG NE N -7.294 0.571 -4.516 1.00 . A A . 19 ARG NE 1 1 25 10201 1 1 19 ARG NH1 N -8.990 1.222 -3.060 1.00 . A A . 19 ARG NH1 1 1 25 10202 1 1 19 ARG NH2 N -8.422 -1.022 -3.345 1.00 . A A . 19 ARG NH2 1 1 25 10203 1 1 19 ARG O O -2.678 1.057 -1.330 1.00 . A A . 19 ARG O 1 1 25 10204 1 1 20 CYS C C -3.149 4.466 -1.094 1.00 . A A . 20 CYS C 1 1 25 10205 1 1 20 CYS CA C -1.882 3.675 -0.789 1.00 . A A . 20 CYS CA 1 1 25 10206 1 1 20 CYS CB C -0.715 4.595 -0.442 1.00 . A A . 20 CYS CB 1 1 25 10207 1 1 20 CYS H H -1.330 3.453 -2.807 1.00 . A A . 20 CYS H 1 1 25 10208 1 1 20 CYS HA H -2.050 3.012 0.056 1.00 . A A . 20 CYS HA 1 1 25 10209 1 1 20 CYS HB3 H -0.538 5.279 -1.271 1.00 . A A . 20 CYS HB3 1 1 25 10210 1 1 20 CYS N N -1.601 2.916 -1.997 1.00 . A A . 20 CYS N 1 1 25 10211 1 1 20 CYS O O -3.148 5.290 -2.008 1.00 . A A . 20 CYS O 1 1 25 10212 1 1 20 CYS SG S -1.002 5.562 1.059 1.00 . A A . 20 CYS SG 1 1 25 10213 1 1 21 SER C C -6.455 4.617 0.463 1.00 . A A . 21 SER C 1 1 25 10214 1 1 21 SER CA C -5.557 4.727 -0.763 1.00 . A A . 21 SER CA 1 1 25 10215 1 1 21 SER CB C -6.145 4.021 -1.994 1.00 . A A . 21 SER CB 1 1 25 10216 1 1 21 SER H H -4.269 3.417 0.261 1.00 . A A . 21 SER H 1 1 25 10217 1 1 21 SER HA H -5.435 5.791 -0.975 1.00 . A A . 21 SER HA 1 1 25 10218 1 1 21 SER HB3 H -7.226 4.120 -1.951 1.00 . A A . 21 SER HB3 1 1 25 10219 1 1 21 SER HG H -4.757 4.983 -2.977 1.00 . A A . 21 SER HG 1 1 25 10220 1 1 21 SER N N -4.268 4.145 -0.448 1.00 . A A . 21 SER N 1 1 25 10221 1 1 21 SER O O -6.344 3.653 1.208 1.00 . A A . 21 SER O 1 1 25 10222 1 1 21 SER OG O -5.669 4.702 -3.138 1.00 . A A . 21 SER OG 1 1 25 10223 1 1 22 TYR C C -7.298 5.487 3.175 1.00 . A A . 22 TYR C 1 1 25 10224 1 1 22 TYR CA C -8.145 5.677 1.905 1.00 . A A . 22 TYR CA 1 1 25 10225 1 1 22 TYR CB C -9.308 4.692 1.781 1.00 . A A . 22 TYR CB 1 1 25 10226 1 1 22 TYR CD1 C -11.338 5.964 2.598 1.00 . A A . 22 TYR CD1 1 1 25 10227 1 1 22 TYR CD2 C -10.616 4.002 3.847 1.00 . A A . 22 TYR CD2 1 1 25 10228 1 1 22 TYR CE1 C -12.397 6.148 3.503 1.00 . A A . 22 TYR CE1 1 1 25 10229 1 1 22 TYR CE2 C -11.675 4.189 4.752 1.00 . A A . 22 TYR CE2 1 1 25 10230 1 1 22 TYR CG C -10.440 4.894 2.771 1.00 . A A . 22 TYR CG 1 1 25 10231 1 1 22 TYR CZ C -12.563 5.264 4.581 1.00 . A A . 22 TYR CZ 1 1 25 10232 1 1 22 TYR H H -7.360 6.386 0.057 1.00 . A A . 22 TYR H 1 1 25 10233 1 1 22 TYR HA H -8.605 6.652 1.947 1.00 . A A . 22 TYR HA 1 1 25 10234 1 1 22 TYR HB3 H -8.882 3.711 1.912 1.00 . A A . 22 TYR HB3 1 1 25 10235 1 1 22 TYR HD1 H -11.219 6.645 1.769 1.00 . A A . 22 TYR HD1 1 1 25 10236 1 1 22 TYR HD2 H -9.930 3.179 3.993 1.00 . A A . 22 TYR HD2 1 1 25 10237 1 1 22 TYR HE1 H -13.085 6.970 3.372 1.00 . A A . 22 TYR HE1 1 1 25 10238 1 1 22 TYR HE2 H -11.792 3.505 5.580 1.00 . A A . 22 TYR HE2 1 1 25 10239 1 1 22 TYR HH H -13.616 4.798 6.155 1.00 . A A . 22 TYR HH 1 1 25 10240 1 1 22 TYR N N -7.311 5.615 0.706 1.00 . A A . 22 TYR N 1 1 25 10241 1 1 22 TYR O O -7.656 4.738 4.081 1.00 . A A . 22 TYR O 1 1 25 10242 1 1 22 TYR OH O -13.594 5.452 5.454 1.00 . A A . 22 TYR OH 1 1 25 10243 1 1 23 GLY C C -4.720 4.606 4.632 1.00 . A A . 23 GLY C 1 1 25 10244 1 1 23 GLY CA C -5.166 6.039 4.303 1.00 . A A . 23 GLY CA 1 1 25 10245 1 1 23 GLY H H -5.891 6.729 2.430 1.00 . A A . 23 GLY H 1 1 25 10246 1 1 23 GLY HA2 H -4.285 6.618 4.026 1.00 . A A . 23 GLY HA2 1 1 25 10247 1 1 23 GLY HA3 H -5.612 6.486 5.192 1.00 . A A . 23 GLY HA3 1 1 25 10248 1 1 23 GLY N N -6.126 6.131 3.207 1.00 . A A . 23 GLY N 1 1 25 10249 1 1 23 GLY O O -4.171 4.364 5.707 1.00 . A A . 23 GLY O 1 1 25 10250 1 1 24 THR C C -3.789 1.805 2.739 1.00 . A A . 24 THR C 1 1 25 10251 1 1 24 THR CA C -4.742 2.243 3.848 1.00 . A A . 24 THR CA 1 1 25 10252 1 1 24 THR CB C -6.105 1.542 3.722 1.00 . A A . 24 THR CB 1 1 25 10253 1 1 24 THR CG2 C -6.016 0.031 3.950 1.00 . A A . 24 THR CG2 1 1 25 10254 1 1 24 THR H H -5.337 3.956 2.821 1.00 . A A . 24 THR H 1 1 25 10255 1 1 24 THR HA H -4.317 2.014 4.824 1.00 . A A . 24 THR HA 1 1 25 10256 1 1 24 THR HB H -6.507 1.702 2.721 1.00 . A A . 24 THR HB 1 1 25 10257 1 1 24 THR HG1 H -7.151 3.020 4.470 1.00 . A A . 24 THR HG1 1 1 25 10258 1 1 24 THR HG21 H -5.653 -0.175 4.955 1.00 . A A . 24 THR HG21 1 1 25 10259 1 1 24 THR HG22 H -7.009 -0.406 3.842 1.00 . A A . 24 THR HG22 1 1 25 10260 1 1 24 THR HG23 H -5.352 -0.432 3.221 1.00 . A A . 24 THR HG23 1 1 25 10261 1 1 24 THR N N -4.941 3.672 3.704 1.00 . A A . 24 THR N 1 1 25 10262 1 1 24 THR O O -3.989 2.171 1.581 1.00 . A A . 24 THR O 1 1 25 10263 1 1 24 THR OG1 O -7.014 2.081 4.661 1.00 . A A . 24 THR OG1 1 1 25 10264 1 1 25 CYS C C -2.556 -0.872 1.612 1.00 . A A . 25 CYS C 1 1 25 10265 1 1 25 CYS CA C -1.895 0.441 2.054 1.00 . A A . 25 CYS CA 1 1 25 10266 1 1 25 CYS CB C -0.419 0.423 2.494 1.00 . A A . 25 CYS CB 1 1 25 10267 1 1 25 CYS H H -2.647 0.725 4.028 1.00 . A A . 25 CYS H 1 1 25 10268 1 1 25 CYS HA H -1.880 1.091 1.182 1.00 . A A . 25 CYS HA 1 1 25 10269 1 1 25 CYS HB3 H -0.298 0.980 3.421 1.00 . A A . 25 CYS HB3 1 1 25 10270 1 1 25 CYS N N -2.750 1.038 3.072 1.00 . A A . 25 CYS N 1 1 25 10271 1 1 25 CYS O O -2.418 -1.926 2.224 1.00 . A A . 25 CYS O 1 1 25 10272 1 1 25 CYS SG S 0.442 -1.134 2.680 1.00 . A A . 25 CYS SG 1 1 25 10273 1 1 26 TYR C C -3.059 -2.704 -0.816 1.00 . A A . 26 TYR C 1 1 25 10274 1 1 26 TYR CA C -4.084 -1.871 -0.052 1.00 . A A . 26 TYR CA 1 1 25 10275 1 1 26 TYR CB C -5.106 -1.305 -1.048 1.00 . A A . 26 TYR CB 1 1 25 10276 1 1 26 TYR CD1 C -7.474 -1.621 -0.248 1.00 . A A . 26 TYR CD1 1 1 25 10277 1 1 26 TYR CD2 C -6.542 0.628 -0.256 1.00 . A A . 26 TYR CD2 1 1 25 10278 1 1 26 TYR CE1 C -8.743 -1.096 0.042 1.00 . A A . 26 TYR CE1 1 1 25 10279 1 1 26 TYR CE2 C -7.816 1.149 0.029 1.00 . A A . 26 TYR CE2 1 1 25 10280 1 1 26 TYR CG C -6.378 -0.757 -0.440 1.00 . A A . 26 TYR CG 1 1 25 10281 1 1 26 TYR CZ C -8.911 0.288 0.197 1.00 . A A . 26 TYR CZ 1 1 25 10282 1 1 26 TYR H H -3.408 0.128 0.090 1.00 . A A . 26 TYR H 1 1 25 10283 1 1 26 TYR HA H -4.588 -2.484 0.698 1.00 . A A . 26 TYR HA 1 1 25 10284 1 1 26 TYR HB3 H -5.424 -2.109 -1.708 1.00 . A A . 26 TYR HB3 1 1 25 10285 1 1 26 TYR HD1 H -7.357 -2.686 -0.392 1.00 . A A . 26 TYR HD1 1 1 25 10286 1 1 26 TYR HD2 H -5.700 1.292 -0.384 1.00 . A A . 26 TYR HD2 1 1 25 10287 1 1 26 TYR HE1 H -9.590 -1.759 0.160 1.00 . A A . 26 TYR HE1 1 1 25 10288 1 1 26 TYR HE2 H -7.967 2.213 0.080 1.00 . A A . 26 TYR HE2 1 1 25 10289 1 1 26 TYR HH H -10.174 1.698 0.665 1.00 . A A . 26 TYR HH 1 1 25 10290 1 1 26 TYR N N -3.392 -0.761 0.579 1.00 . A A . 26 TYR N 1 1 25 10291 1 1 26 TYR O O -2.247 -2.113 -1.533 1.00 . A A . 26 TYR O 1 1 25 10292 1 1 26 TYR OH O -10.166 0.804 0.314 1.00 . A A . 26 TYR OH 1 1 25 10293 1 1 27 CYS C C -3.124 -5.906 -2.321 1.00 . A A . 27 CYS C 1 1 25 10294 1 1 27 CYS CA C -2.283 -4.952 -1.491 1.00 . A A . 27 CYS CA 1 1 25 10295 1 1 27 CYS CB C -1.268 -5.712 -0.624 1.00 . A A . 27 CYS CB 1 1 25 10296 1 1 27 CYS H H -3.810 -4.478 -0.130 1.00 . A A . 27 CYS H 1 1 25 10297 1 1 27 CYS HA H -1.756 -4.358 -2.213 1.00 . A A . 27 CYS HA 1 1 25 10298 1 1 27 CYS HB3 H -0.522 -6.144 -1.288 1.00 . A A . 27 CYS HB3 1 1 25 10299 1 1 27 CYS N N -3.116 -4.041 -0.714 1.00 . A A . 27 CYS N 1 1 25 10300 1 1 27 CYS O O -4.254 -6.211 -1.948 1.00 . A A . 27 CYS O 1 1 25 10301 1 1 27 CYS SG S -0.361 -4.713 0.569 1.00 . A A . 27 CYS SG 1 1 25 10302 1 1 28 LYS C C -2.370 -8.427 -4.732 1.00 . A A . 28 LYS C 1 1 25 10303 1 1 28 LYS CA C -3.262 -7.233 -4.393 1.00 . A A . 28 LYS CA 1 1 25 10304 1 1 28 LYS CB C -3.680 -6.442 -5.639 1.00 . A A . 28 LYS CB 1 1 25 10305 1 1 28 LYS CD C -2.737 -5.195 -7.667 1.00 . A A . 28 LYS CD 1 1 25 10306 1 1 28 LYS CE C -2.878 -6.385 -8.631 1.00 . A A . 28 LYS CE 1 1 25 10307 1 1 28 LYS CG C -2.518 -5.616 -6.209 1.00 . A A . 28 LYS CG 1 1 25 10308 1 1 28 LYS H H -1.614 -6.103 -3.682 1.00 . A A . 28 LYS H 1 1 25 10309 1 1 28 LYS HA H -4.176 -7.631 -3.948 1.00 . A A . 28 LYS HA 1 1 25 10310 1 1 28 LYS HB3 H -4.490 -5.759 -5.377 1.00 . A A . 28 LYS HB3 1 1 25 10311 1 1 28 LYS HD3 H -1.890 -4.572 -7.966 1.00 . A A . 28 LYS HD3 1 1 25 10312 1 1 28 LYS HE3 H -2.739 -6.022 -9.651 1.00 . A A . 28 LYS HE3 1 1 25 10313 1 1 28 LYS HG3 H -1.564 -6.130 -6.110 1.00 . A A . 28 LYS HG3 1 1 25 10314 1 1 28 LYS HZ1 H -2.040 -7.842 -7.414 1.00 . A A . 28 LYS HZ1 1 1 25 10315 1 1 28 LYS HZ2 H -2.022 -8.220 -9.010 1.00 . A A . 28 LYS HZ2 1 1 25 10316 1 1 28 LYS HZ3 H -0.962 -7.111 -8.417 1.00 . A A . 28 LYS HZ3 1 1 25 10317 1 1 28 LYS N N -2.568 -6.365 -3.451 1.00 . A A . 28 LYS N 1 1 25 10318 1 1 28 LYS NZ N -1.905 -7.465 -8.352 1.00 . A A . 28 LYS NZ 1 1 25 10319 1 1 28 LYS O O -1.959 -8.605 -5.882 1.00 . A A . 28 LYS O 1 1 25 10320 1 1 29 THR C C -1.603 -11.143 -2.445 1.00 . A A . 29 THR C 1 1 25 10321 1 1 29 THR CA C -1.306 -10.451 -3.773 1.00 . A A . 29 THR CA 1 1 25 10322 1 1 29 THR CB C 0.189 -10.162 -3.998 1.00 . A A . 29 THR CB 1 1 25 10323 1 1 29 THR CG2 C 0.806 -9.221 -2.955 1.00 . A A . 29 THR CG2 1 1 25 10324 1 1 29 THR H H -2.451 -9.063 -2.791 1.00 . A A . 29 THR H 1 1 25 10325 1 1 29 THR HA H -1.680 -11.063 -4.597 1.00 . A A . 29 THR HA 1 1 25 10326 1 1 29 THR HB H 0.294 -9.696 -4.980 1.00 . A A . 29 THR HB 1 1 25 10327 1 1 29 THR HG1 H 1.041 -11.707 -3.147 1.00 . A A . 29 THR HG1 1 1 25 10328 1 1 29 THR HG21 H 0.736 -9.653 -1.956 1.00 . A A . 29 THR HG21 1 1 25 10329 1 1 29 THR HG22 H 1.856 -9.060 -3.196 1.00 . A A . 29 THR HG22 1 1 25 10330 1 1 29 THR HG23 H 0.293 -8.258 -2.964 1.00 . A A . 29 THR HG23 1 1 25 10331 1 1 29 THR N N -2.071 -9.231 -3.714 1.00 . A A . 29 THR N 1 1 25 10332 1 1 29 THR O O -1.793 -10.473 -1.432 1.00 . A A . 29 THR O 1 1 25 10333 1 1 29 THR OG1 O 0.925 -11.366 -4.038 1.00 . A A . 29 THR OG1 1 1 25 10334 1 1 30 THR C C -1.732 -14.762 -1.763 1.00 . A A . 30 THR C 1 1 25 10335 1 1 30 THR CA C -2.004 -13.317 -1.333 1.00 . A A . 30 THR CA 1 1 25 10336 1 1 30 THR CB C -3.445 -13.088 -0.829 1.00 . A A . 30 THR CB 1 1 25 10337 1 1 30 THR CG2 C -4.506 -13.440 -1.880 1.00 . A A . 30 THR CG2 1 1 25 10338 1 1 30 THR H H -1.542 -12.929 -3.351 1.00 . A A . 30 THR H 1 1 25 10339 1 1 30 THR HA H -1.311 -13.068 -0.528 1.00 . A A . 30 THR HA 1 1 25 10340 1 1 30 THR HB H -3.577 -12.037 -0.566 1.00 . A A . 30 THR HB 1 1 25 10341 1 1 30 THR HG1 H -3.372 -13.350 1.102 1.00 . A A . 30 THR HG1 1 1 25 10342 1 1 30 THR HG21 H -4.456 -14.497 -2.144 1.00 . A A . 30 THR HG21 1 1 25 10343 1 1 30 THR HG22 H -5.495 -13.229 -1.474 1.00 . A A . 30 THR HG22 1 1 25 10344 1 1 30 THR HG23 H -4.362 -12.839 -2.779 1.00 . A A . 30 THR HG23 1 1 25 10345 1 1 30 THR N N -1.713 -12.465 -2.473 1.00 . A A . 30 THR N 1 1 25 10346 1 1 30 THR O O -1.144 -14.988 -2.819 1.00 . A A . 30 THR O 1 1 25 10347 1 1 30 THR OG1 O -3.683 -13.848 0.339 1.00 . A A . 30 THR OG1 1 1 25 10348 1 1 31 NH2 HN1 H -2.719 -15.471 -0.159 1.00 . A A . 31 NH2 HN1 1 1 25 10349 1 1 31 NH2 HN2 H -2.011 -16.700 -1.214 1.00 . A A . 31 NH2 HN2 1 1 25 10350 1 1 31 NH2 N N -2.164 -15.735 -0.967 1.00 . A A . 31 NH2 N 1 1 stop_ save_
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