NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
616145 | 5vav | 30274 | cing | 4-filtered-FRED | STAR | entry | full | 89 |
data_FRED_restraints_with_modified_coordinates_PDB_code_5vav # This FRED archive file contains, for PDB entry <5vav>: # # - Coordinates and sequence information from the PDB mmCIF file # - NMR restraints from the PDB MR file # # In this file, the coordinates and NMR restraints share the same atom names, # and in this way can differ from the data deposited at the wwPDB. To achieve # this aim, the NMR restraints were parsed from their original format files, and # the coordinates and NMR restraints information were subsequently harmonized. # # Due to the complexity of this harmonization process and the filtering process # used in creating these files, the NMR restraints information in these files # may differ significantly from that in the originally deposited file. Other # modifications could have occurred to the NMR restraints information, or data # could have been lost because of parsing or conversion errors. The PDB file # remains the authoritative reference for the atomic coordinates and the # originally deposited restraints files remain the primary reference for these # data. # # This file is generated at the BioMagResBank (BMRB) in collaboration with the # PDBe (formerly MSD) group at the European Bioinformatics Institute (EBI) and # the CMBI/IMM group at the Radboud University of Nijmegen. # # Several software packages were used to produce this file: # # - Wattos (BMRB and CMBI/IMM). # - FormatConverter and NMRStarExport (PDBe). # - CCPN framework (http://www.ccpn.ac.uk/). # # More information about this process can be found in the references below. # Please cite the original reference for this PDB entry. # # JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL # Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED # containing converted and filtered sets of experimental NMR restraints and # coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12. # # WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL # Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy: # development of a software pipeline. Proteins 59, 687-696. # # JF Doreleijers, WF Vranken, C Schulte, J Lin, JR Wedell, CJ Penkett, GW Vuister, # G Vriend, JL Markley, and EL Ulrich (2009). The NMR Restraints Grid at BMRB for # 5,266 Protein and Nucleic Acid PDB Entries. J Biomol. NMR 45, 389?396. save_Conversion_project_for_entry_Name_1 _Study_list.Sf_category study_list _Study_list.Entry_ID 1 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 "Conversion project for entry 1" NMR . 1 1 stop_ save_ save_originalConstraints_1 _Entry.PDB_coordinate_file_version . _Entry.Sf_category entry_information _Entry.ID 1 _Entry.Title "Data for entry 1" _Entry.NMR_STAR_version 3.1.0.8 _Entry.Experimental_method NMR _Entry.Details . save_ save_assembly_5vav _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 5vav _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "all disulfide bound" _Assembly.Molecular_mass 1570.79 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 $cyc_MC12 A . 1 1 stop_ save_ save_cyc_MC12 _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name "cyc MC12" _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code GRCTQAWPPICFPD _Entity.Number_of_monomers 14 loop_ _Entity_comp_index.ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 GLY . 1 1 2 ARG . 1 1 3 CYS . 1 1 4 THR . 1 1 5 GLN . 1 1 6 ALA . 1 1 7 TRP . 1 1 8 PRO . 1 1 9 PRO . 1 1 10 ILE . 1 1 11 CYS . 1 1 12 PHE . 1 1 13 PRO . 1 1 14 ASP . 1 1 stop_ loop_ _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID GLY 1 1 1 1 ARG 2 2 1 1 CYS 3 3 1 1 THR 4 4 1 1 GLN 5 5 1 1 ALA 6 6 1 1 TRP 7 7 1 1 PRO 8 8 1 1 PRO 9 9 1 1 ILE 10 10 1 1 CYS 11 11 1 1 PHE 12 12 1 1 PRO 13 13 1 1 ASP 14 14 1 1 stop_ save_ save_DYANA/DIANA_distance_constraints_2_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID . _Distance_constraint_list.Block_ID . loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . 1 1 2 1 . . . 1 1 3 1 . . . 1 1 4 1 . . . 1 1 5 1 . . . 1 1 6 1 . . . 1 1 7 1 . . . 1 1 8 1 . . . 1 1 9 1 . . . 1 1 10 1 . . . 1 1 11 1 . . . 1 1 12 1 . . . 1 1 13 1 . . . 1 1 14 1 . . . 1 1 15 1 . . . 1 1 16 1 . . . 1 1 17 1 . . . 1 1 18 1 . . . 1 1 19 1 . . . 1 1 20 1 . . . 1 1 21 1 . . . 1 1 22 1 . . . 1 1 23 1 . . . 1 1 24 1 . . . 1 1 25 1 . . . 1 1 26 1 . . . 1 1 27 1 . . . 1 1 28 1 . . . 1 1 29 1 . . . 1 1 30 1 . . . 1 1 31 1 . . . 1 1 32 1 . . . 1 1 33 1 . . . 1 1 34 1 . . . 1 1 35 1 . . . 1 1 36 1 . . . 1 1 37 1 . . . 1 1 38 1 . . . 1 1 39 1 . . . 1 1 40 1 . . . 1 1 41 1 . . . 1 1 42 1 . . . 1 1 43 1 . . . 1 1 44 1 . . . 1 1 45 1 . . . 1 1 46 1 . . . 1 1 47 1 . . . 1 1 48 1 . . . 1 1 49 1 . . . 1 1 50 1 . . . 1 1 51 1 . . . 1 1 52 1 . . . 1 1 53 1 . . . 1 1 54 1 . . . 1 1 55 1 . . . 1 1 56 1 . . . 1 1 57 1 . . . 1 1 58 1 . . . 1 1 59 1 . . . 1 1 60 1 . . . 1 1 61 1 . . . 1 1 62 1 . . . 1 1 63 1 . . . 1 1 64 1 . . . 1 1 65 1 . . . 1 1 66 1 . . . 1 1 67 1 . . . 1 1 68 1 . . . 1 1 69 1 . . . 1 1 70 1 . . . 1 1 71 1 . . . 1 1 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 1 1 1 GLY H1 . 1 GLY H 1 1 1 1 2 1 1 2 ARG H . 2 ARG H 1 1 2 1 1 1 1 1 GLY H1 . 1 GLY H 1 1 2 1 2 1 1 2 ARG HA . 2 ARG HA 1 1 3 1 1 1 1 1 GLY H1 . 1 GLY H 1 1 3 1 2 1 1 13 PRO HA . 13 PRO HA 1 1 4 1 1 1 1 1 GLY H1 . 1 GLY H 1 1 4 1 2 1 1 14 ASP H . 14 ASP H 1 1 5 1 1 1 1 1 GLY H1 . 1 GLY H 1 1 5 1 2 1 1 14 ASP HA . 14 ASP HA 1 1 6 1 1 1 1 2 ARG H . 2 ARG H 1 1 6 1 2 1 1 2 ARG HB2 . 2 ARG HB2 1 1 7 1 1 1 1 2 ARG H . 2 ARG H 1 1 7 1 2 1 1 2 ARG QB . 2 ARG QB 1 1 8 1 1 1 1 2 ARG H . 2 ARG H 1 1 8 1 2 1 1 2 ARG HB3 . 2 ARG HB3 1 1 9 1 1 1 1 2 ARG H . 2 ARG H 1 1 9 1 2 1 1 2 ARG QD . 2 ARG QD 1 1 10 1 1 1 1 2 ARG H . 2 ARG H 1 1 10 1 2 1 1 2 ARG QG . 2 ARG QG 1 1 11 1 1 1 1 2 ARG HA . 2 ARG HA 1 1 11 1 2 1 1 2 ARG QD . 2 ARG QD 1 1 12 1 1 1 1 2 ARG HA . 2 ARG HA 1 1 12 1 2 1 1 2 ARG QG . 2 ARG QG 1 1 13 1 1 1 1 2 ARG HB2 . 2 ARG HB2 1 1 13 1 2 1 1 2 ARG HE . 2 ARG HE 1 1 14 1 1 1 1 2 ARG HB3 . 2 ARG HB3 1 1 14 1 2 1 1 2 ARG HE . 2 ARG HE 1 1 15 1 1 1 1 3 CYS H . 3 CYS H 1 1 15 1 2 1 1 3 CYS HB2 . 3 CYS HB2 1 1 16 1 1 1 1 3 CYS H . 3 CYS H 1 1 16 1 2 1 1 3 CYS QB . 3 CYS QB 1 1 17 1 1 1 1 3 CYS H . 3 CYS H 1 1 17 1 2 1 1 3 CYS HB3 . 3 CYS HB3 1 1 18 1 1 1 1 3 CYS HA . 3 CYS HA 1 1 18 1 2 1 1 4 THR H . 4 THR H 1 1 19 1 1 1 1 3 CYS HA . 3 CYS HA 1 1 19 1 2 1 1 11 CYS HA . 11 CYS HA 1 1 20 1 1 1 1 3 CYS HA . 3 CYS HA 1 1 20 1 2 1 1 12 PHE H . 12 PHE H 1 1 21 1 1 1 1 3 CYS QB . 3 CYS QB 1 1 21 1 2 1 1 4 THR H . 4 THR H 1 1 22 1 1 1 1 4 THR H . 4 THR H 1 1 22 1 2 1 1 4 THR MG . 4 THR QG2 1 1 23 1 1 1 1 4 THR H . 4 THR H 1 1 23 1 2 1 1 5 GLN H . 5 GLN H 1 1 24 1 1 1 1 4 THR H . 4 THR H 1 1 24 1 2 1 1 10 ILE H . 10 ILE H 1 1 25 1 1 1 1 4 THR H . 4 THR H 1 1 25 1 2 1 1 11 CYS HA . 11 CYS HA 1 1 26 1 1 1 1 4 THR HA . 4 THR HA 1 1 26 1 2 1 1 5 GLN H . 5 GLN H 1 1 27 1 1 1 1 4 THR HB . 4 THR HB 1 1 27 1 2 1 1 5 GLN H . 5 GLN H 1 1 28 1 1 1 1 5 GLN H . 5 GLN H 1 1 28 1 2 1 1 5 GLN QB . 5 GLN QB 1 1 29 1 1 1 1 5 GLN QB . 5 GLN QB 1 1 29 1 2 1 1 5 GLN QG . 5 GLN QG 1 1 30 1 1 1 1 6 ALA HA . 6 ALA HA 1 1 30 1 2 1 1 7 TRP H . 7 TRP H 1 1 31 1 1 1 1 6 ALA MB . 6 ALA QB 1 1 31 1 2 1 1 7 TRP H . 7 TRP H 1 1 32 1 1 1 1 7 TRP H . 7 TRP H 1 1 32 1 2 1 1 7 TRP QB . 7 TRP QB 1 1 33 1 1 1 1 7 TRP HA . 7 TRP HA 1 1 33 1 2 1 1 7 TRP HE3 . 7 TRP HE3 1 1 34 1 1 1 1 7 TRP HA . 7 TRP HA 1 1 34 1 2 1 1 8 PRO HA . 8 PRO HA 1 1 35 1 1 1 1 7 TRP HA . 7 TRP HA 1 1 35 1 2 1 1 9 PRO HD3 . 9 PRO HD3 1 1 36 1 1 1 1 7 TRP QB . 7 TRP QB 1 1 36 1 2 1 1 7 TRP HD1 . 7 TRP HD1 1 1 37 1 1 1 1 7 TRP HE3 . 7 TRP HE3 1 1 37 1 2 1 1 9 PRO HD3 . 9 PRO HD3 1 1 38 1 1 1 1 8 PRO HA . 8 PRO HA 1 1 38 1 2 1 1 9 PRO HA . 9 PRO HA 1 1 39 1 1 1 1 8 PRO HA . 8 PRO HA 1 1 39 1 2 1 1 9 PRO HD2 . 9 PRO HD2 1 1 40 1 1 1 1 8 PRO HA . 8 PRO HA 1 1 40 1 2 1 1 9 PRO HD3 . 9 PRO HD3 1 1 41 1 1 1 1 8 PRO QB . 8 PRO QB 1 1 41 1 2 1 1 9 PRO HD2 . 9 PRO HD2 1 1 42 1 1 1 1 10 ILE H . 10 ILE H 1 1 42 1 2 1 1 10 ILE HB . 10 ILE HB 1 1 43 1 1 1 1 10 ILE H . 10 ILE H 1 1 43 1 2 1 1 10 ILE MD . 10 ILE QD1 1 1 44 1 1 1 1 10 ILE H . 10 ILE H 1 1 44 1 2 1 1 10 ILE HG12 . 10 ILE HG12 1 1 45 1 1 1 1 10 ILE H . 10 ILE H 1 1 45 1 2 1 1 10 ILE QG . 10 ILE QG1 1 1 46 1 1 1 1 10 ILE H . 10 ILE H 1 1 46 1 2 1 1 10 ILE HG13 . 10 ILE HG13 1 1 47 1 1 1 1 10 ILE H . 10 ILE H 1 1 47 1 2 1 1 10 ILE MG . 10 ILE QG2 1 1 48 1 1 1 1 10 ILE HA . 10 ILE HA 1 1 48 1 2 1 1 10 ILE MD . 10 ILE QD1 1 1 49 1 1 1 1 10 ILE HA . 10 ILE HA 1 1 49 1 2 1 1 11 CYS H . 11 CYS H 1 1 50 1 1 1 1 10 ILE HB . 10 ILE HB 1 1 50 1 2 1 1 10 ILE MD . 10 ILE QD1 1 1 51 1 1 1 1 10 ILE MD . 10 ILE QD1 1 1 51 1 2 1 1 11 CYS H . 11 CYS H 1 1 52 1 1 1 1 10 ILE QG . 10 ILE QG1 1 1 52 1 2 1 1 10 ILE MG . 10 ILE QG2 1 1 53 1 1 1 1 10 ILE HG12 . 10 ILE HG12 1 1 53 1 2 1 1 10 ILE MG . 10 ILE QG2 1 1 54 1 1 1 1 10 ILE HG13 . 10 ILE HG13 1 1 54 1 2 1 1 10 ILE MG . 10 ILE QG2 1 1 55 1 1 1 1 11 CYS H . 11 CYS H 1 1 55 1 2 1 1 11 CYS HB2 . 11 CYS HB2 1 1 56 1 1 1 1 11 CYS H . 11 CYS H 1 1 56 1 2 1 1 11 CYS QB . 11 CYS QB 1 1 57 1 1 1 1 11 CYS H . 11 CYS H 1 1 57 1 2 1 1 11 CYS HB3 . 11 CYS HB3 1 1 58 1 1 1 1 11 CYS HA . 11 CYS HA 1 1 58 1 2 1 1 12 PHE H . 12 PHE H 1 1 59 1 1 1 1 11 CYS QB . 11 CYS QB 1 1 59 1 2 1 1 12 PHE H . 12 PHE H 1 1 60 1 1 1 1 12 PHE H . 12 PHE H 1 1 60 1 2 1 1 12 PHE HB2 . 12 PHE HB2 1 1 61 1 1 1 1 12 PHE H . 12 PHE H 1 1 61 1 2 1 1 12 PHE QB . 12 PHE QB 1 1 62 1 1 1 1 12 PHE H . 12 PHE H 1 1 62 1 2 1 1 12 PHE HB3 . 12 PHE HB3 1 1 63 1 1 1 1 12 PHE H . 12 PHE H 1 1 63 1 2 1 1 12 PHE QD . 12 PHE QD 1 1 64 1 1 1 1 12 PHE HA . 12 PHE HA 1 1 64 1 2 1 1 13 PRO QD . 13 PRO QD 1 1 65 1 1 1 1 12 PHE QB . 12 PHE QB 1 1 65 1 2 1 1 13 PRO QD . 13 PRO QD 1 1 66 1 1 1 1 12 PHE QB . 12 PHE QB 1 1 66 1 2 1 1 14 ASP H . 14 ASP H 1 1 67 1 1 1 1 12 PHE HB2 . 12 PHE HB2 1 1 67 1 2 1 1 14 ASP H . 14 ASP H 1 1 68 1 1 1 1 12 PHE HB3 . 12 PHE HB3 1 1 68 1 2 1 1 14 ASP H . 14 ASP H 1 1 69 1 1 1 1 13 PRO QB . 13 PRO QB 1 1 69 1 2 1 1 14 ASP H . 14 ASP H 1 1 70 1 1 1 1 13 PRO QD . 13 PRO QD 1 1 70 1 2 1 1 14 ASP H . 14 ASP H 1 1 71 1 1 1 1 14 ASP H . 14 ASP H 1 1 71 1 2 1 1 14 ASP QB . 14 ASP QB 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 . . . . . . . 3.42 1 1 2 1 . . . . . . . 5.33 1 1 3 1 . . . . . . . 5.5 1 1 4 1 . . . . . . . 3.67 1 1 5 1 . . . . . . . 3.97 1 1 6 1 . . . . . . . 3.83 1 1 7 1 . . . . . . . 3.3 1 1 8 1 . . . . . . . 3.83 1 1 9 1 . . . . . . . 5.5 1 1 10 1 . . . . . . . 4.14 1 1 11 1 . . . . . . . 4.83 1 1 12 1 . . . . . . . 3.9 1 1 13 1 . . . . . . . 5.5 1 1 14 1 . . . . . . . 5.5 1 1 15 1 . . . . . . . 3.98 1 1 16 1 . . . . . . . 3.29 1 1 17 1 . . . . . . . 3.98 1 1 18 1 . . . . . . . 3.04 1 1 19 1 . . . . . . . 3.01 1 1 20 1 . . . . . . . 4.42 1 1 21 1 . . . . . . . 4.21 1 1 22 1 . . . . . . . 3.67 1 1 23 1 . . . . . . . 4.53 1 1 24 1 . . . . . . . 4.24 1 1 25 1 . . . . . . . 4.15 1 1 26 1 . . . . . . . 3.31 1 1 27 1 . . . . . . . 3.57 1 1 28 1 . . . . . . . 3.5 1 1 29 1 . . . . . . . 2.31 1 1 30 1 . . . . . . . 3.53 1 1 31 1 . . . . . . . 4.07 1 1 32 1 . . . . . . . 3.64 1 1 33 1 . . . . . . . 5.5 1 1 34 1 . . . . . . . 2.88 1 1 35 1 . . . . . . . 3.78 1 1 36 1 . . . . . . . 3.24 1 1 37 1 . . . . . . . 5.5 1 1 38 1 . . . . . . . 4.41 1 1 39 1 . . . . . . . 3.63 1 1 40 1 . . . . . . . 2.97 1 1 41 1 . . . . . . . 3.87 1 1 42 1 . . . . . . . 4.02 1 1 43 1 . . . . . . . 5.17 1 1 44 1 . . . . . . . 5.01 1 1 45 1 . . . . . . . 4.23 1 1 46 1 . . . . . . . 5.01 1 1 47 1 . . . . . . . 4.48 1 1 48 1 . . . . . . . 3.94 1 1 49 1 . . . . . . . 3.24 1 1 50 1 . . . . . . . 3.33 1 1 51 1 . . . . . . . 4.77 1 1 52 1 . . . . . . . 2.54 1 1 53 1 . . . . . . . 3.35 1 1 54 1 . . . . . . . 3.35 1 1 55 1 . . . . . . . 4.08 1 1 56 1 . . . . . . . 3.34 1 1 57 1 . . . . . . . 4.08 1 1 58 1 . . . . . . . 3.06 1 1 59 1 . . . . . . . 4.21 1 1 60 1 . . . . . . . 4.05 1 1 61 1 . . . . . . . 3.33 1 1 62 1 . . . . . . . 4.05 1 1 63 1 . . . . . . . 4.66 1 1 64 1 . . . . . . . 3.1 1 1 65 1 . . . . . . . 3.46 1 1 66 1 . . . . . . . 3.7 1 1 67 1 . . . . . . . 4.56 1 1 68 1 . . . . . . . 4.56 1 1 69 1 . . . . . . . 4.05 1 1 70 1 . . . . . . . 4.26 1 1 71 1 . . . . . . . 3.53 1 1 stop_ save_ save_DYANA/DIANA_dihedral_3 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID 1 _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID . _Torsion_angle_constraint_list.Block_ID . loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 PHI 1 1 1 GLY C 1 1 2 ARG N 1 1 2 ARG CA 1 1 2 ARG C -87.7 -46.7 . 2 ARG . . 2 ARG . . 2 ARG . . 2 ARG . 1 1 2 PSI 1 1 2 ARG N 1 1 2 ARG CA 1 1 2 ARG C 1 1 3 CYS N 123.4 167.1 . 2 ARG . . 2 ARG . . 2 ARG . . 2 ARG . 1 1 3 PHI 1 1 2 ARG C 1 1 3 CYS N 1 1 3 CYS CA 1 1 3 CYS C -161.5 -116.49999 . 3 CYS . . 3 CYS . . 3 CYS . . 3 CYS . 1 1 4 PSI 1 1 3 CYS N 1 1 3 CYS CA 1 1 3 CYS C 1 1 4 THR N 131.8 171.8 . 3 CYS . . 3 CYS . . 3 CYS . . 3 CYS . 1 1 5 PHI 1 1 6 ALA C 1 1 7 TRP N 1 1 7 TRP CA 1 1 7 TRP C -105.0 -46.2 . 7 TRP . . 7 TRP . . 7 TRP . . 7 TRP . 1 1 6 PSI 1 1 7 TRP N 1 1 7 TRP CA 1 1 7 TRP C 1 1 8 PRO N 111.4 162.6 . 7 TRP . . 7 TRP . . 7 TRP . . 7 TRP . 1 1 7 PSI 1 1 8 PRO N 1 1 8 PRO CA 1 1 8 PRO C 1 1 9 PRO N 120.799995 173.3 . 8 PRO . . 8 PRO . . 8 PRO . . 8 PRO . 1 1 8 PHI 1 1 9 PRO C 1 1 10 ILE N 1 1 10 ILE CA 1 1 10 ILE C -117.3 -50.999996 . 10 ILE . . 10 ILE . . 10 ILE . . 10 ILE . 1 1 9 PSI 1 1 10 ILE N 1 1 10 ILE CA 1 1 10 ILE C 1 1 11 CYS N 109.4 160.9 . 10 ILE . . 10 ILE . . 10 ILE . . 10 ILE . 1 1 10 PHI 1 1 10 ILE C 1 1 11 CYS N 1 1 11 CYS CA 1 1 11 CYS C -150.0 -89.99999 . 11 CYS . . 11 CYS . . 11 CYS . . 11 CYS . 1 1 11 PSI 1 1 11 CYS N 1 1 11 CYS CA 1 1 11 CYS C 1 1 12 PHE N 130.9 170.9 . 11 CYS . . 11 CYS . . 11 CYS . . 11 CYS . 1 1 12 PHI 1 1 11 CYS C 1 1 12 PHE N 1 1 12 PHE CA 1 1 12 PHE C -126.49999 -39.6 . 12 PHE . . 12 PHE . . 12 PHE . . 12 PHE . 1 1 13 PSI 1 1 12 PHE N 1 1 12 PHE CA 1 1 12 PHE C 1 1 13 PRO N 86.6 187.7 . 12 PHE . . 12 PHE . . 12 PHE . . 12 PHE . 1 1 14 PSI 1 1 13 PRO N 1 1 13 PRO CA 1 1 13 PRO C 1 1 14 ASP N -49.899998 -9.9 . 13 PRO . . 13 PRO . . 13 PRO . . 13 PRO . 1 1 15 PHI 1 1 4 THR C 1 1 5 GLN N 1 1 5 GLN CA 1 1 5 GLN C -179.99998 -20.0 . 5 GLN . . 5 GLN . . 5 GLN . . 5 GLN . 1 1 16 PHI 1 1 3 CYS C 1 1 4 THR N 1 1 4 THR CA 1 1 4 THR C -179.99998 -20.0 . 4 THR . . 4 THR . . 4 THR . . 4 THR . 1 1 17 PHI 1 1 5 GLN C 1 1 6 ALA N 1 1 6 ALA CA 1 1 6 ALA C -150.0 -89.99999 . 6 ALA . . 6 ALA . . 6 ALA . . 6 ALA . 1 1 18 PHI 1 1 13 PRO C 1 1 14 ASP N 1 1 14 ASP CA 1 1 14 ASP C -179.99998 -20.0 . 14 ASP . . 14 ASP . . 14 ASP . . 14 ASP . 1 1 stop_ save_ save_conformer_family_coord_set_1 _Conformer_family_coord_set.Sf_category conformer_family_coord_set _Conformer_family_coord_set.Entry_ID 1 _Conformer_family_coord_set.ID 1 loop_ _Atom_site.Model_ID _Atom_site.ID _Atom_site.Label_entity_assembly_ID _Atom_site.Label_entity_ID _Atom_site.Label_comp_index_ID _Atom_site.Label_comp_ID _Atom_site.Label_atom_ID _Atom_site.Type_symbol _Atom_site.Cartn_x _Atom_site.Cartn_y _Atom_site.Cartn_z _Atom_site.Occupancy _Atom_site.Uncertainty _Atom_site.PDBX_label_asym_ID _Atom_site.PDB_strand_ID _Atom_site.PDB_ins_code _Atom_site.PDB_residue_no _Atom_site.PDB_residue_name _Atom_site.PDB_atom_name _Atom_site.Entry_ID _Atom_site.Conformer_family_coord_set_ID 1 1 1 1 1 GLY C C 3.401 0.721 -1.131 1.00 . A A . 1 GLY C 1 1 1 2 1 1 1 GLY CA C 2.071 0.001 -1.247 1.00 . A A . 1 GLY CA 1 1 1 3 1 1 1 GLY H1 H 1.811 -0.001 0.854 1.00 . A A . 1 GLY H1 1 1 1 4 1 1 1 GLY HA2 H 2.252 -1.021 -1.547 1.00 . A A . 1 GLY HA2 1 1 1 5 1 1 1 GLY HA3 H 1.477 0.488 -2.006 1.00 . A A . 1 GLY HA3 1 1 1 6 1 1 1 GLY N N 1.330 0.000 0.000 1.00 . A A . 1 GLY N 1 1 1 7 1 1 1 GLY O O 4.434 0.202 -1.554 1.00 . A A . 1 GLY O 1 1 1 8 1 1 2 ARG C C 5.609 1.968 0.463 1.00 . A A . 2 ARG C 1 1 1 9 1 1 2 ARG CA C 4.586 2.712 -0.390 1.00 . A A . 2 ARG CA 1 1 1 10 1 1 2 ARG CB C 4.254 4.060 0.254 1.00 . A A . 2 ARG CB 1 1 1 11 1 1 2 ARG CD C 4.692 6.498 -0.171 1.00 . A A . 2 ARG CD 1 1 1 12 1 1 2 ARG CG C 5.314 5.124 0.021 1.00 . A A . 2 ARG CG 1 1 1 13 1 1 2 ARG CZ C 5.351 8.857 0.036 1.00 . A A . 2 ARG CZ 1 1 1 14 1 1 2 ARG H H 2.520 2.279 -0.241 1.00 . A A . 2 ARG H 1 1 1 15 1 1 2 ARG HA H 5.008 2.885 -1.368 1.00 . A A . 2 ARG HA 1 1 1 16 1 1 2 ARG HB2 H 3.320 4.419 -0.152 1.00 . A A . 2 ARG HB2 1 1 1 17 1 1 2 ARG HB3 H 4.144 3.919 1.318 1.00 . A A . 2 ARG HB3 1 1 1 18 1 1 2 ARG HD2 H 4.462 6.632 -1.218 1.00 . A A . 2 ARG HD2 1 1 1 19 1 1 2 ARG HD3 H 3.781 6.549 0.406 1.00 . A A . 2 ARG HD3 1 1 1 20 1 1 2 ARG HE H 6.403 7.314 0.736 1.00 . A A . 2 ARG HE 1 1 1 21 1 1 2 ARG HG2 H 5.973 5.156 0.876 1.00 . A A . 2 ARG HG2 1 1 1 22 1 1 2 ARG HG3 H 5.880 4.868 -0.863 1.00 . A A . 2 ARG HG3 1 1 1 23 1 1 2 ARG HH11 H 3.602 8.545 -0.926 1.00 . A A . 2 ARG HH11 1 1 1 24 1 1 2 ARG HH12 H 4.078 10.203 -0.772 1.00 . A A . 2 ARG HH12 1 1 1 25 1 1 2 ARG HH21 H 7.041 9.494 0.944 1.00 . A A . 2 ARG HH21 1 1 1 26 1 1 2 ARG HH22 H 6.035 10.743 0.290 1.00 . A A . 2 ARG HH22 1 1 1 27 1 1 2 ARG N N 3.374 1.919 -0.558 1.00 . A A . 2 ARG N 1 1 1 28 1 1 2 ARG NE N 5.587 7.569 0.258 1.00 . A A . 2 ARG NE 1 1 1 29 1 1 2 ARG NH1 N 4.254 9.233 -0.607 1.00 . A A . 2 ARG NH1 1 1 1 30 1 1 2 ARG NH2 N 6.213 9.774 0.458 1.00 . A A . 2 ARG NH2 1 1 1 31 1 1 2 ARG O O 5.254 1.109 1.271 1.00 . A A . 2 ARG O 1 1 1 32 1 1 3 CYS C C 9.226 2.514 0.985 1.00 . A A . 3 CYS C 1 1 1 33 1 1 3 CYS CA C 7.958 1.666 1.028 1.00 . A A . 3 CYS CA 1 1 1 34 1 1 3 CYS CB C 8.243 0.272 0.467 1.00 . A A . 3 CYS CB 1 1 1 35 1 1 3 CYS H H 7.104 2.995 -0.381 1.00 . A A . 3 CYS H 1 1 1 36 1 1 3 CYS HA H 7.637 1.573 2.054 1.00 . A A . 3 CYS HA 1 1 1 37 1 1 3 CYS HB2 H 7.330 -0.139 0.063 1.00 . A A . 3 CYS HB2 1 1 1 38 1 1 3 CYS HB3 H 8.976 0.353 -0.322 1.00 . A A . 3 CYS HB3 1 1 1 39 1 1 3 CYS N N 6.882 2.303 0.277 1.00 . A A . 3 CYS N 1 1 1 40 1 1 3 CYS O O 9.385 3.371 0.115 1.00 . A A . 3 CYS O 1 1 1 41 1 1 3 CYS SG S 8.882 -0.908 1.699 1.00 . A A . 3 CYS SG 1 1 1 42 1 1 4 THR C C 12.480 2.306 1.209 1.00 . A A . 4 THR C 1 1 1 43 1 1 4 THR CA C 11.382 3.007 2.001 1.00 . A A . 4 THR CA 1 1 1 44 1 1 4 THR CB C 11.849 3.182 3.458 1.00 . A A . 4 THR CB 1 1 1 45 1 1 4 THR CG2 C 11.098 4.320 4.134 1.00 . A A . 4 THR CG2 1 1 1 46 1 1 4 THR H H 9.944 1.571 2.595 1.00 . A A . 4 THR H 1 1 1 47 1 1 4 THR HA H 11.216 3.987 1.578 1.00 . A A . 4 THR HA 1 1 1 48 1 1 4 THR HB H 12.904 3.417 3.457 1.00 . A A . 4 THR HB 1 1 1 49 1 1 4 THR HG1 H 12.128 1.254 3.767 1.00 . A A . 4 THR HG1 1 1 1 50 1 1 4 THR HG21 H 10.802 4.016 5.127 1.00 . A A . 4 THR HG21 1 1 1 51 1 1 4 THR HG22 H 10.220 4.565 3.555 1.00 . A A . 4 THR HG22 1 1 1 52 1 1 4 THR HG23 H 11.740 5.185 4.199 1.00 . A A . 4 THR HG23 1 1 1 53 1 1 4 THR N N 10.128 2.267 1.930 1.00 . A A . 4 THR N 1 1 1 54 1 1 4 THR O O 12.651 1.091 1.310 1.00 . A A . 4 THR O 1 1 1 55 1 1 4 THR OG1 O 11.642 1.968 4.188 1.00 . A A . 4 THR OG1 1 1 1 56 1 1 5 GLN C C 15.496 2.152 0.482 1.00 . A A . 5 GLN C 1 1 1 57 1 1 5 GLN CA C 14.302 2.531 -0.388 1.00 . A A . 5 GLN CA 1 1 1 58 1 1 5 GLN CB C 14.733 3.540 -1.453 1.00 . A A . 5 GLN CB 1 1 1 59 1 1 5 GLN CD C 13.196 2.982 -3.379 1.00 . A A . 5 GLN CD 1 1 1 60 1 1 5 GLN CG C 13.592 4.012 -2.341 1.00 . A A . 5 GLN CG 1 1 1 61 1 1 5 GLN H H 13.035 4.040 0.384 1.00 . A A . 5 GLN H 1 1 1 62 1 1 5 GLN HA H 13.933 1.642 -0.877 1.00 . A A . 5 GLN HA 1 1 1 63 1 1 5 GLN HB2 H 15.160 4.402 -0.963 1.00 . A A . 5 GLN HB2 1 1 1 64 1 1 5 GLN HB3 H 15.484 3.084 -2.082 1.00 . A A . 5 GLN HB3 1 1 1 65 1 1 5 GLN HE21 H 14.967 3.157 -4.265 1.00 . A A . 5 GLN HE21 1 1 1 66 1 1 5 GLN HE22 H 13.874 2.031 -4.988 1.00 . A A . 5 GLN HE22 1 1 1 67 1 1 5 GLN HG2 H 12.734 4.224 -1.720 1.00 . A A . 5 GLN HG2 1 1 1 68 1 1 5 GLN HG3 H 13.899 4.915 -2.849 1.00 . A A . 5 GLN HG3 1 1 1 69 1 1 5 GLN N N 13.221 3.079 0.421 1.00 . A A . 5 GLN N 1 1 1 70 1 1 5 GLN NE2 N 14.104 2.694 -4.305 1.00 . A A . 5 GLN NE2 1 1 1 71 1 1 5 GLN O O 16.171 1.155 0.227 1.00 . A A . 5 GLN O 1 1 1 72 1 1 5 GLN OE1 O 12.086 2.450 -3.351 1.00 . A A . 5 GLN OE1 1 1 1 73 1 1 6 ALA C C 16.362 2.199 3.771 1.00 . A A . 6 ALA C 1 1 1 74 1 1 6 ALA CA C 16.861 2.702 2.420 1.00 . A A . 6 ALA CA 1 1 1 75 1 1 6 ALA CB C 17.693 3.963 2.600 1.00 . A A . 6 ALA CB 1 1 1 76 1 1 6 ALA H H 15.175 3.733 1.663 1.00 . A A . 6 ALA H 1 1 1 77 1 1 6 ALA HA H 17.490 1.945 1.976 1.00 . A A . 6 ALA HA 1 1 1 78 1 1 6 ALA HB1 H 17.553 4.610 1.745 1.00 . A A . 6 ALA HB1 1 1 1 79 1 1 6 ALA HB2 H 17.379 4.477 3.496 1.00 . A A . 6 ALA HB2 1 1 1 80 1 1 6 ALA HB3 H 18.736 3.697 2.683 1.00 . A A . 6 ALA HB3 1 1 1 81 1 1 6 ALA N N 15.750 2.954 1.511 1.00 . A A . 6 ALA N 1 1 1 82 1 1 6 ALA O O 15.167 1.966 3.954 1.00 . A A . 6 ALA O 1 1 1 83 1 1 7 TRP C C 16.604 2.721 6.971 1.00 . A A . 7 TRP C 1 1 1 84 1 1 7 TRP CA C 16.936 1.556 6.046 1.00 . A A . 7 TRP CA 1 1 1 85 1 1 7 TRP CB C 18.086 0.735 6.632 1.00 . A A . 7 TRP CB 1 1 1 86 1 1 7 TRP CD1 C 17.280 -1.339 5.361 1.00 . A A . 7 TRP CD1 1 1 1 87 1 1 7 TRP CD2 C 18.494 -1.793 7.188 1.00 . A A . 7 TRP CD2 1 1 1 88 1 1 7 TRP CE2 C 18.116 -3.009 6.586 1.00 . A A . 7 TRP CE2 1 1 1 89 1 1 7 TRP CE3 C 19.265 -1.829 8.352 1.00 . A A . 7 TRP CE3 1 1 1 90 1 1 7 TRP CG C 17.949 -0.737 6.388 1.00 . A A . 7 TRP CG 1 1 1 91 1 1 7 TRP CH2 C 19.239 -4.251 8.252 1.00 . A A . 7 TRP CH2 1 1 1 92 1 1 7 TRP CZ2 C 18.483 -4.245 7.111 1.00 . A A . 7 TRP CZ2 1 1 1 93 1 1 7 TRP CZ3 C 19.629 -3.056 8.873 1.00 . A A . 7 TRP CZ3 1 1 1 94 1 1 7 TRP H H 18.220 2.235 4.506 1.00 . A A . 7 TRP H 1 1 1 95 1 1 7 TRP HA H 16.065 0.924 5.955 1.00 . A A . 7 TRP HA 1 1 1 96 1 1 7 TRP HB2 H 19.015 1.061 6.190 1.00 . A A . 7 TRP HB2 1 1 1 97 1 1 7 TRP HB3 H 18.124 0.895 7.700 1.00 . A A . 7 TRP HB3 1 1 1 98 1 1 7 TRP HD1 H 16.755 -0.807 4.583 1.00 . A A . 7 TRP HD1 1 1 1 99 1 1 7 TRP HE1 H 16.979 -3.356 4.857 1.00 . A A . 7 TRP HE1 1 1 1 100 1 1 7 TRP HE3 H 19.576 -0.919 8.845 1.00 . A A . 7 TRP HE3 1 1 1 101 1 1 7 TRP HH2 H 19.545 -5.186 8.694 1.00 . A A . 7 TRP HH2 1 1 1 102 1 1 7 TRP HZ2 H 18.191 -5.174 6.645 1.00 . A A . 7 TRP HZ2 1 1 1 103 1 1 7 TRP HZ3 H 20.225 -3.104 9.772 1.00 . A A . 7 TRP HZ3 1 1 1 104 1 1 7 TRP N N 17.283 2.033 4.712 1.00 . A A . 7 TRP N 1 1 1 105 1 1 7 TRP NE1 N 17.376 -2.705 5.474 1.00 . A A . 7 TRP NE1 1 1 1 106 1 1 7 TRP O O 16.957 3.872 6.711 1.00 . A A . 7 TRP O 1 1 1 107 1 1 8 PRO C C 14.392 0.553 7.459 1.00 . A A . 8 PRO C 1 1 1 108 1 1 8 PRO CA C 15.483 1.055 8.399 1.00 . A A . 8 PRO CA 1 1 1 109 1 1 8 PRO CB C 14.945 1.177 9.826 1.00 . A A . 8 PRO CB 1 1 1 110 1 1 8 PRO CD C 15.485 3.390 9.102 1.00 . A A . 8 PRO CD 1 1 1 111 1 1 8 PRO CG C 14.529 2.602 9.954 1.00 . A A . 8 PRO CG 1 1 1 112 1 1 8 PRO HA H 16.315 0.366 8.383 1.00 . A A . 8 PRO HA 1 1 1 113 1 1 8 PRO HB2 H 14.107 0.507 9.956 1.00 . A A . 8 PRO HB2 1 1 1 114 1 1 8 PRO HB3 H 15.724 0.928 10.531 1.00 . A A . 8 PRO HB3 1 1 1 115 1 1 8 PRO HD2 H 14.983 4.232 8.651 1.00 . A A . 8 PRO HD2 1 1 1 116 1 1 8 PRO HD3 H 16.329 3.722 9.690 1.00 . A A . 8 PRO HD3 1 1 1 117 1 1 8 PRO HG2 H 13.519 2.723 9.594 1.00 . A A . 8 PRO HG2 1 1 1 118 1 1 8 PRO HG3 H 14.602 2.914 10.985 1.00 . A A . 8 PRO HG3 1 1 1 119 1 1 8 PRO N N 15.909 2.420 8.078 1.00 . A A . 8 PRO N 1 1 1 120 1 1 8 PRO O O 13.795 1.315 6.699 1.00 . A A . 8 PRO O 1 1 1 121 1 1 9 PRO C C 11.688 -0.989 7.075 1.00 . A A . 9 PRO C 1 1 1 122 1 1 9 PRO CA C 13.102 -1.394 6.671 1.00 . A A . 9 PRO CA 1 1 1 123 1 1 9 PRO CB C 13.320 -2.889 6.914 1.00 . A A . 9 PRO CB 1 1 1 124 1 1 9 PRO CD C 14.796 -1.729 8.393 1.00 . A A . 9 PRO CD 1 1 1 125 1 1 9 PRO CG C 13.952 -2.966 8.261 1.00 . A A . 9 PRO CG 1 1 1 126 1 1 9 PRO HA H 13.254 -1.171 5.625 1.00 . A A . 9 PRO HA 1 1 1 127 1 1 9 PRO HB2 H 12.369 -3.402 6.893 1.00 . A A . 9 PRO HB2 1 1 1 128 1 1 9 PRO HB3 H 13.969 -3.291 6.150 1.00 . A A . 9 PRO HB3 1 1 1 129 1 1 9 PRO HD2 H 14.799 -1.381 9.416 1.00 . A A . 9 PRO HD2 1 1 1 130 1 1 9 PRO HD3 H 15.804 -1.921 8.056 1.00 . A A . 9 PRO HD3 1 1 1 131 1 1 9 PRO HG2 H 13.190 -2.983 9.024 1.00 . A A . 9 PRO HG2 1 1 1 132 1 1 9 PRO HG3 H 14.570 -3.849 8.326 1.00 . A A . 9 PRO HG3 1 1 1 133 1 1 9 PRO N N 14.124 -0.761 7.511 1.00 . A A . 9 PRO N 1 1 1 134 1 1 9 PRO O O 11.022 -1.696 7.831 1.00 . A A . 9 PRO O 1 1 1 135 1 1 10 ILE C C 8.992 0.571 5.649 1.00 . A A . 10 ILE C 1 1 1 136 1 1 10 ILE CA C 9.900 0.648 6.871 1.00 . A A . 10 ILE CA 1 1 1 137 1 1 10 ILE CB C 9.943 2.103 7.374 1.00 . A A . 10 ILE CB 1 1 1 138 1 1 10 ILE CD1 C 10.755 1.364 9.671 1.00 . A A . 10 ILE CD1 1 1 1 139 1 1 10 ILE CG1 C 10.997 2.255 8.473 1.00 . A A . 10 ILE CG1 1 1 1 140 1 1 10 ILE CG2 C 8.574 2.527 7.885 1.00 . A A . 10 ILE CG2 1 1 1 141 1 1 10 ILE H H 11.814 0.671 5.968 1.00 . A A . 10 ILE H 1 1 1 142 1 1 10 ILE HA H 9.486 0.029 7.654 1.00 . A A . 10 ILE HA 1 1 1 143 1 1 10 ILE HB H 10.204 2.741 6.544 1.00 . A A . 10 ILE HB 1 1 1 144 1 1 10 ILE HD11 H 9.708 1.391 9.934 1.00 . A A . 10 ILE HD11 1 1 1 145 1 1 10 ILE HD12 H 11.041 0.352 9.431 1.00 . A A . 10 ILE HD12 1 1 1 146 1 1 10 ILE HD13 H 11.344 1.716 10.506 1.00 . A A . 10 ILE HD13 1 1 1 147 1 1 10 ILE HG12 H 11.967 2.010 8.069 1.00 . A A . 10 ILE HG12 1 1 1 148 1 1 10 ILE HG13 H 11.003 3.280 8.816 1.00 . A A . 10 ILE HG13 1 1 1 149 1 1 10 ILE HG21 H 8.671 3.432 8.466 1.00 . A A . 10 ILE HG21 1 1 1 150 1 1 10 ILE HG22 H 7.918 2.708 7.047 1.00 . A A . 10 ILE HG22 1 1 1 151 1 1 10 ILE HG23 H 8.161 1.744 8.503 1.00 . A A . 10 ILE HG23 1 1 1 152 1 1 10 ILE N N 11.236 0.152 6.565 1.00 . A A . 10 ILE N 1 1 1 153 1 1 10 ILE O O 9.158 1.325 4.689 1.00 . A A . 10 ILE O 1 1 1 154 1 1 11 CYS C C 5.666 -0.195 5.030 1.00 . A A . 11 CYS C 1 1 1 155 1 1 11 CYS CA C 7.091 -0.519 4.589 1.00 . A A . 11 CYS CA 1 1 1 156 1 1 11 CYS CB C 7.159 -1.952 4.058 1.00 . A A . 11 CYS CB 1 1 1 157 1 1 11 CYS H H 7.946 -0.915 6.484 1.00 . A A . 11 CYS H 1 1 1 158 1 1 11 CYS HA H 7.374 0.162 3.801 1.00 . A A . 11 CYS HA 1 1 1 159 1 1 11 CYS HB2 H 8.018 -2.447 4.488 1.00 . A A . 11 CYS HB2 1 1 1 160 1 1 11 CYS HB3 H 6.263 -2.479 4.350 1.00 . A A . 11 CYS HB3 1 1 1 161 1 1 11 CYS N N 8.028 -0.343 5.691 1.00 . A A . 11 CYS N 1 1 1 162 1 1 11 CYS O O 5.208 -0.657 6.075 1.00 . A A . 11 CYS O 1 1 1 163 1 1 11 CYS SG S 7.305 -2.067 2.245 1.00 . A A . 11 CYS SG 1 1 1 164 1 1 12 PHE C C 2.613 -0.070 4.043 1.00 . A A . 12 PHE C 1 1 1 165 1 1 12 PHE CA C 3.598 0.988 4.532 1.00 . A A . 12 PHE CA 1 1 1 166 1 1 12 PHE CB C 3.272 2.339 3.892 1.00 . A A . 12 PHE CB 1 1 1 167 1 1 12 PHE CD1 C 2.415 4.323 5.168 1.00 . A A . 12 PHE CD1 1 1 1 168 1 1 12 PHE CD2 C 4.732 3.783 5.334 1.00 . A A . 12 PHE CD2 1 1 1 169 1 1 12 PHE CE1 C 2.600 5.396 6.019 1.00 . A A . 12 PHE CE1 1 1 1 170 1 1 12 PHE CE2 C 4.923 4.855 6.186 1.00 . A A . 12 PHE CE2 1 1 1 171 1 1 12 PHE CG C 3.477 3.505 4.817 1.00 . A A . 12 PHE CG 1 1 1 172 1 1 12 PHE CZ C 3.856 5.663 6.528 1.00 . A A . 12 PHE CZ 1 1 1 173 1 1 12 PHE H H 5.391 0.938 3.406 1.00 . A A . 12 PHE H 1 1 1 174 1 1 12 PHE HA H 3.511 1.076 5.603 1.00 . A A . 12 PHE HA 1 1 1 175 1 1 12 PHE HB2 H 3.906 2.485 3.031 1.00 . A A . 12 PHE HB2 1 1 1 176 1 1 12 PHE HB3 H 2.239 2.341 3.579 1.00 . A A . 12 PHE HB3 1 1 1 177 1 1 12 PHE HD1 H 1.432 4.115 4.770 1.00 . A A . 12 PHE HD1 1 1 1 178 1 1 12 PHE HD2 H 5.567 3.153 5.067 1.00 . A A . 12 PHE HD2 1 1 1 179 1 1 12 PHE HE1 H 1.764 6.026 6.284 1.00 . A A . 12 PHE HE1 1 1 1 180 1 1 12 PHE HE2 H 5.906 5.062 6.582 1.00 . A A . 12 PHE HE2 1 1 1 181 1 1 12 PHE HZ H 4.003 6.501 7.193 1.00 . A A . 12 PHE HZ 1 1 1 182 1 1 12 PHE N N 4.971 0.602 4.225 1.00 . A A . 12 PHE N 1 1 1 183 1 1 12 PHE O O 2.926 -0.897 3.186 1.00 . A A . 12 PHE O 1 1 1 184 1 1 13 PRO C C -0.195 -0.758 2.829 1.00 . A A . 13 PRO C 1 1 1 185 1 1 13 PRO CA C 0.338 -0.994 4.238 1.00 . A A . 13 PRO CA 1 1 1 186 1 1 13 PRO CB C -0.755 -0.723 5.275 1.00 . A A . 13 PRO CB 1 1 1 187 1 1 13 PRO CD C 0.952 0.913 5.629 1.00 . A A . 13 PRO CD 1 1 1 188 1 1 13 PRO CG C -0.533 0.688 5.699 1.00 . A A . 13 PRO CG 1 1 1 189 1 1 13 PRO HA H 0.675 -2.016 4.327 1.00 . A A . 13 PRO HA 1 1 1 190 1 1 13 PRO HB2 H -1.727 -0.851 4.820 1.00 . A A . 13 PRO HB2 1 1 1 191 1 1 13 PRO HB3 H -0.647 -1.405 6.104 1.00 . A A . 13 PRO HB3 1 1 1 192 1 1 13 PRO HD2 H 1.166 1.928 5.328 1.00 . A A . 13 PRO HD2 1 1 1 193 1 1 13 PRO HD3 H 1.412 0.695 6.581 1.00 . A A . 13 PRO HD3 1 1 1 194 1 1 13 PRO HG2 H -1.046 1.359 5.026 1.00 . A A . 13 PRO HG2 1 1 1 195 1 1 13 PRO HG3 H -0.886 0.827 6.710 1.00 . A A . 13 PRO HG3 1 1 1 196 1 1 13 PRO N N 1.394 -0.045 4.601 1.00 . A A . 13 PRO N 1 1 1 197 1 1 13 PRO O O -0.596 -1.697 2.141 1.00 . A A . 13 PRO O 1 1 1 198 1 1 14 ASP C C -0.004 0.008 0.005 1.00 . A A . 14 ASP C 1 1 1 199 1 1 14 ASP CA C -0.678 0.860 1.076 1.00 . A A . 14 ASP CA 1 1 1 200 1 1 14 ASP CB C -0.422 2.343 0.801 1.00 . A A . 14 ASP CB 1 1 1 201 1 1 14 ASP CG C -0.447 2.670 -0.679 1.00 . A A . 14 ASP CG 1 1 1 202 1 1 14 ASP H H 0.137 1.206 3.000 1.00 . A A . 14 ASP H 1 1 1 203 1 1 14 ASP HA H -1.741 0.676 1.048 1.00 . A A . 14 ASP HA 1 1 1 204 1 1 14 ASP HB2 H -1.184 2.930 1.293 1.00 . A A . 14 ASP HB2 1 1 1 205 1 1 14 ASP HB3 H 0.546 2.614 1.195 1.00 . A A . 14 ASP HB3 1 1 1 206 1 1 14 ASP N N -0.196 0.501 2.405 1.00 . A A . 14 ASP N 1 1 1 207 1 1 14 ASP O O -0.659 -0.782 -0.677 1.00 . A A . 14 ASP O 1 1 1 208 1 1 14 ASP OD1 O 0.628 2.632 -1.314 1.00 . A A . 14 ASP OD1 1 1 1 209 1 1 14 ASP OD2 O -1.542 2.962 -1.203 1.00 . A A . 14 ASP OD2 1 1 2 210 1 1 1 GLY C C 3.325 1.027 -1.128 1.00 . A A . 1 GLY C 1 1 2 211 1 1 1 GLY CA C 1.959 0.394 -1.303 1.00 . A A . 1 GLY CA 1 1 2 212 1 1 1 GLY H1 H 1.776 0.119 0.788 1.00 . A A . 1 GLY H1 1 1 2 213 1 1 1 GLY HA2 H 2.079 -0.570 -1.776 1.00 . A A . 1 GLY HA2 1 1 2 214 1 1 1 GLY HA3 H 1.362 1.026 -1.944 1.00 . A A . 1 GLY HA3 1 1 2 215 1 1 1 GLY N N 1.264 0.216 -0.042 1.00 . A A . 1 GLY N 1 1 2 216 1 1 1 GLY O O 4.344 0.424 -1.465 1.00 . A A . 1 GLY O 1 1 2 217 1 1 2 ARG C C 5.591 2.101 0.391 1.00 . A A . 2 ARG C 1 1 2 218 1 1 2 ARG CA C 4.598 2.963 -0.383 1.00 . A A . 2 ARG CA 1 1 2 219 1 1 2 ARG CB C 4.339 4.267 0.373 1.00 . A A . 2 ARG CB 1 1 2 220 1 1 2 ARG CD C 5.232 6.488 1.138 1.00 . A A . 2 ARG CD 1 1 2 221 1 1 2 ARG CG C 5.467 5.278 0.248 1.00 . A A . 2 ARG CG 1 1 2 222 1 1 2 ARG CZ C 3.537 8.245 1.427 1.00 . A A . 2 ARG CZ 1 1 2 223 1 1 2 ARG H H 2.502 2.675 -0.351 1.00 . A A . 2 ARG H 1 1 2 224 1 1 2 ARG HA H 5.019 3.195 -1.350 1.00 . A A . 2 ARG HA 1 1 2 225 1 1 2 ARG HB2 H 3.436 4.719 -0.010 1.00 . A A . 2 ARG HB2 1 1 2 226 1 1 2 ARG HB3 H 4.203 4.041 1.420 1.00 . A A . 2 ARG HB3 1 1 2 227 1 1 2 ARG HD2 H 5.060 6.147 2.148 1.00 . A A . 2 ARG HD2 1 1 2 228 1 1 2 ARG HD3 H 6.113 7.112 1.114 1.00 . A A . 2 ARG HD3 1 1 2 229 1 1 2 ARG HE H 3.697 7.067 -0.175 1.00 . A A . 2 ARG HE 1 1 2 230 1 1 2 ARG HG2 H 6.395 4.807 0.537 1.00 . A A . 2 ARG HG2 1 1 2 231 1 1 2 ARG HG3 H 5.532 5.605 -0.779 1.00 . A A . 2 ARG HG3 1 1 2 232 1 1 2 ARG HH11 H 4.824 8.045 2.970 1.00 . A A . 2 ARG HH11 1 1 2 233 1 1 2 ARG HH12 H 3.624 9.280 3.160 1.00 . A A . 2 ARG HH12 1 1 2 234 1 1 2 ARG HH21 H 2.112 8.690 0.064 1.00 . A A . 2 ARG HH21 1 1 2 235 1 1 2 ARG HH22 H 2.081 9.645 1.507 1.00 . A A . 2 ARG HH22 1 1 2 236 1 1 2 ARG N N 3.347 2.247 -0.600 1.00 . A A . 2 ARG N 1 1 2 237 1 1 2 ARG NE N 4.081 7.274 0.702 1.00 . A A . 2 ARG NE 1 1 2 238 1 1 2 ARG NH1 N 4.036 8.548 2.617 1.00 . A A . 2 ARG NH1 1 1 2 239 1 1 2 ARG NH2 N 2.490 8.915 0.961 1.00 . A A . 2 ARG NH2 1 1 2 240 1 1 2 ARG O O 5.199 1.209 1.145 1.00 . A A . 2 ARG O 1 1 2 241 1 1 3 CYS C C 9.245 2.393 0.860 1.00 . A A . 3 CYS C 1 1 2 242 1 1 3 CYS CA C 7.927 1.624 0.880 1.00 . A A . 3 CYS CA 1 1 2 243 1 1 3 CYS CB C 8.112 0.255 0.223 1.00 . A A . 3 CYS CB 1 1 2 244 1 1 3 CYS H H 7.128 3.097 -0.412 1.00 . A A . 3 CYS H 1 1 2 245 1 1 3 CYS HA H 7.623 1.482 1.906 1.00 . A A . 3 CYS HA 1 1 2 246 1 1 3 CYS HB2 H 7.158 -0.089 -0.150 1.00 . A A . 3 CYS HB2 1 1 2 247 1 1 3 CYS HB3 H 8.801 0.351 -0.603 1.00 . A A . 3 CYS HB3 1 1 2 248 1 1 3 CYS N N 6.877 2.374 0.201 1.00 . A A . 3 CYS N 1 1 2 249 1 1 3 CYS O O 9.420 3.328 0.078 1.00 . A A . 3 CYS O 1 1 2 250 1 1 3 CYS SG S 8.762 -1.026 1.343 1.00 . A A . 3 CYS SG 1 1 2 251 1 1 4 THR C C 12.573 1.744 1.251 1.00 . A A . 4 THR C 1 1 2 252 1 1 4 THR CA C 11.473 2.641 1.807 1.00 . A A . 4 THR CA 1 1 2 253 1 1 4 THR CB C 11.821 3.020 3.259 1.00 . A A . 4 THR CB 1 1 2 254 1 1 4 THR CG2 C 10.809 4.009 3.817 1.00 . A A . 4 THR CG2 1 1 2 255 1 1 4 THR H H 9.973 1.240 2.321 1.00 . A A . 4 THR H 1 1 2 256 1 1 4 THR HA H 11.431 3.548 1.220 1.00 . A A . 4 THR HA 1 1 2 257 1 1 4 THR HB H 12.798 3.483 3.270 1.00 . A A . 4 THR HB 1 1 2 258 1 1 4 THR HG1 H 12.621 1.875 4.651 1.00 . A A . 4 THR HG1 1 1 2 259 1 1 4 THR HG21 H 11.329 4.828 4.292 1.00 . A A . 4 THR HG21 1 1 2 260 1 1 4 THR HG22 H 10.182 3.511 4.542 1.00 . A A . 4 THR HG22 1 1 2 261 1 1 4 THR HG23 H 10.197 4.390 3.013 1.00 . A A . 4 THR HG23 1 1 2 262 1 1 4 THR N N 10.172 1.991 1.724 1.00 . A A . 4 THR N 1 1 2 263 1 1 4 THR O O 12.875 0.695 1.818 1.00 . A A . 4 THR O 1 1 2 264 1 1 4 THR OG1 O 11.851 1.846 4.078 1.00 . A A . 4 THR OG1 1 1 2 265 1 1 5 GLN C C 15.436 1.269 0.434 1.00 . A A . 5 GLN C 1 1 2 266 1 1 5 GLN CA C 14.233 1.395 -0.494 1.00 . A A . 5 GLN CA 1 1 2 267 1 1 5 GLN CB C 14.655 2.055 -1.808 1.00 . A A . 5 GLN CB 1 1 2 268 1 1 5 GLN CD C 15.332 4.186 -2.985 1.00 . A A . 5 GLN CD 1 1 2 269 1 1 5 GLN CG C 15.069 3.509 -1.654 1.00 . A A . 5 GLN CG 1 1 2 270 1 1 5 GLN H H 12.881 3.008 -0.267 1.00 . A A . 5 GLN H 1 1 2 271 1 1 5 GLN HA H 13.851 0.408 -0.704 1.00 . A A . 5 GLN HA 1 1 2 272 1 1 5 GLN HB2 H 15.489 1.507 -2.221 1.00 . A A . 5 GLN HB2 1 1 2 273 1 1 5 GLN HB3 H 13.827 2.011 -2.501 1.00 . A A . 5 GLN HB3 1 1 2 274 1 1 5 GLN HE21 H 16.355 5.628 -2.077 1.00 . A A . 5 GLN HE21 1 1 2 275 1 1 5 GLN HE22 H 16.229 5.764 -3.795 1.00 . A A . 5 GLN HE22 1 1 2 276 1 1 5 GLN HG2 H 14.279 4.043 -1.146 1.00 . A A . 5 GLN HG2 1 1 2 277 1 1 5 GLN HG3 H 15.970 3.552 -1.060 1.00 . A A . 5 GLN HG3 1 1 2 278 1 1 5 GLN N N 13.167 2.163 0.138 1.00 . A A . 5 GLN N 1 1 2 279 1 1 5 GLN NE2 N 16.043 5.307 -2.949 1.00 . A A . 5 GLN NE2 1 1 2 280 1 1 5 GLN O O 16.025 0.196 0.561 1.00 . A A . 5 GLN O 1 1 2 281 1 1 5 GLN OE1 O 14.900 3.707 -4.034 1.00 . A A . 5 GLN OE1 1 1 2 282 1 1 6 ALA C C 16.468 2.211 3.442 1.00 . A A . 6 ALA C 1 1 2 283 1 1 6 ALA CA C 16.930 2.385 1.999 1.00 . A A . 6 ALA CA 1 1 2 284 1 1 6 ALA CB C 17.718 3.677 1.847 1.00 . A A . 6 ALA CB 1 1 2 285 1 1 6 ALA H H 15.289 3.198 0.938 1.00 . A A . 6 ALA H 1 1 2 286 1 1 6 ALA HA H 17.580 1.562 1.737 1.00 . A A . 6 ALA HA 1 1 2 287 1 1 6 ALA HB1 H 17.486 4.130 0.894 1.00 . A A . 6 ALA HB1 1 1 2 288 1 1 6 ALA HB2 H 17.453 4.356 2.643 1.00 . A A . 6 ALA HB2 1 1 2 289 1 1 6 ALA HB3 H 18.775 3.461 1.894 1.00 . A A . 6 ALA HB3 1 1 2 290 1 1 6 ALA N N 15.797 2.373 1.081 1.00 . A A . 6 ALA N 1 1 2 291 1 1 6 ALA O O 15.404 2.695 3.825 1.00 . A A . 6 ALA O 1 1 2 292 1 1 7 TRP C C 16.655 2.590 6.358 1.00 . A A . 7 TRP C 1 1 2 293 1 1 7 TRP CA C 16.949 1.279 5.637 1.00 . A A . 7 TRP CA 1 1 2 294 1 1 7 TRP CB C 18.098 0.546 6.333 1.00 . A A . 7 TRP CB 1 1 2 295 1 1 7 TRP CD1 C 17.448 -1.717 5.319 1.00 . A A . 7 TRP CD1 1 1 2 296 1 1 7 TRP CD2 C 18.266 -1.840 7.401 1.00 . A A . 7 TRP CD2 1 1 2 297 1 1 7 TRP CE2 C 17.950 -3.142 6.964 1.00 . A A . 7 TRP CE2 1 1 2 298 1 1 7 TRP CE3 C 18.797 -1.671 8.682 1.00 . A A . 7 TRP CE3 1 1 2 299 1 1 7 TRP CG C 17.938 -0.944 6.334 1.00 . A A . 7 TRP CG 1 1 2 300 1 1 7 TRP CH2 C 18.670 -4.069 9.014 1.00 . A A . 7 TRP CH2 1 1 2 301 1 1 7 TRP CZ2 C 18.148 -4.264 7.764 1.00 . A A . 7 TRP CZ2 1 1 2 302 1 1 7 TRP CZ3 C 18.992 -2.786 9.475 1.00 . A A . 7 TRP CZ3 1 1 2 303 1 1 7 TRP H H 18.111 1.156 3.872 1.00 . A A . 7 TRP H 1 1 2 304 1 1 7 TRP HA H 16.066 0.658 5.670 1.00 . A A . 7 TRP HA 1 1 2 305 1 1 7 TRP HB2 H 19.023 0.781 5.829 1.00 . A A . 7 TRP HB2 1 1 2 306 1 1 7 TRP HB3 H 18.156 0.877 7.360 1.00 . A A . 7 TRP HB3 1 1 2 307 1 1 7 TRP HD1 H 17.110 -1.331 4.370 1.00 . A A . 7 TRP HD1 1 1 2 308 1 1 7 TRP HE1 H 17.150 -3.788 5.135 1.00 . A A . 7 TRP HE1 1 1 2 309 1 1 7 TRP HE3 H 19.052 -0.690 9.055 1.00 . A A . 7 TRP HE3 1 1 2 310 1 1 7 TRP HH2 H 18.839 -4.910 9.667 1.00 . A A . 7 TRP HH2 1 1 2 311 1 1 7 TRP HZ2 H 17.905 -5.260 7.422 1.00 . A A . 7 TRP HZ2 1 1 2 312 1 1 7 TRP HZ3 H 19.402 -2.674 10.468 1.00 . A A . 7 TRP HZ3 1 1 2 313 1 1 7 TRP N N 17.276 1.517 4.236 1.00 . A A . 7 TRP N 1 1 2 314 1 1 7 TRP NE1 N 17.453 -3.039 5.691 1.00 . A A . 7 TRP NE1 1 1 2 315 1 1 7 TRP O O 17.023 3.672 5.902 1.00 . A A . 7 TRP O 1 1 2 316 1 1 8 PRO C C 14.416 0.579 7.241 1.00 . A A . 8 PRO C 1 1 2 317 1 1 8 PRO CA C 15.534 1.210 8.064 1.00 . A A . 8 PRO CA 1 1 2 318 1 1 8 PRO CB C 15.026 1.581 9.460 1.00 . A A . 8 PRO CB 1 1 2 319 1 1 8 PRO CD C 15.591 3.629 8.365 1.00 . A A . 8 PRO CD 1 1 2 320 1 1 8 PRO CG C 14.638 3.015 9.352 1.00 . A A . 8 PRO CG 1 1 2 321 1 1 8 PRO HA H 16.354 0.511 8.152 1.00 . A A . 8 PRO HA 1 1 2 322 1 1 8 PRO HB2 H 14.179 0.959 9.714 1.00 . A A . 8 PRO HB2 1 1 2 323 1 1 8 PRO HB3 H 15.815 1.439 10.183 1.00 . A A . 8 PRO HB3 1 1 2 324 1 1 8 PRO HD2 H 15.094 4.394 7.786 1.00 . A A . 8 PRO HD2 1 1 2 325 1 1 8 PRO HD3 H 16.451 4.038 8.874 1.00 . A A . 8 PRO HD3 1 1 2 326 1 1 8 PRO HG2 H 13.623 3.095 8.994 1.00 . A A . 8 PRO HG2 1 1 2 327 1 1 8 PRO HG3 H 14.736 3.495 10.315 1.00 . A A . 8 PRO HG3 1 1 2 328 1 1 8 PRO N N 15.977 2.493 7.512 1.00 . A A . 8 PRO N 1 1 2 329 1 1 8 PRO O O 13.818 1.214 6.372 1.00 . A A . 8 PRO O 1 1 2 330 1 1 9 PRO C C 11.679 -0.948 7.166 1.00 . A A . 9 PRO C 1 1 2 331 1 1 9 PRO CA C 13.077 -1.445 6.815 1.00 . A A . 9 PRO CA 1 1 2 332 1 1 9 PRO CB C 13.273 -2.882 7.303 1.00 . A A . 9 PRO CB 1 1 2 333 1 1 9 PRO CD C 14.798 -1.520 8.541 1.00 . A A . 9 PRO CD 1 1 2 334 1 1 9 PRO CG C 13.930 -2.744 8.633 1.00 . A A . 9 PRO CG 1 1 2 335 1 1 9 PRO HA H 13.213 -1.405 5.744 1.00 . A A . 9 PRO HA 1 1 2 336 1 1 9 PRO HB2 H 12.312 -3.371 7.385 1.00 . A A . 9 PRO HB2 1 1 2 337 1 1 9 PRO HB3 H 13.899 -3.420 6.608 1.00 . A A . 9 PRO HB3 1 1 2 338 1 1 9 PRO HD2 H 14.827 -1.005 9.490 1.00 . A A . 9 PRO HD2 1 1 2 339 1 1 9 PRO HD3 H 15.795 -1.788 8.225 1.00 . A A . 9 PRO HD3 1 1 2 340 1 1 9 PRO HG2 H 13.182 -2.616 9.401 1.00 . A A . 9 PRO HG2 1 1 2 341 1 1 9 PRO HG3 H 14.533 -3.616 8.837 1.00 . A A . 9 PRO HG3 1 1 2 342 1 1 9 PRO N N 14.126 -0.701 7.518 1.00 . A A . 9 PRO N 1 1 2 343 1 1 9 PRO O O 10.995 -1.534 8.007 1.00 . A A . 9 PRO O 1 1 2 344 1 1 10 ILE C C 9.078 0.654 5.506 1.00 . A A . 10 ILE C 1 1 2 345 1 1 10 ILE CA C 9.941 0.706 6.762 1.00 . A A . 10 ILE CA 1 1 2 346 1 1 10 ILE CB C 10.042 2.166 7.242 1.00 . A A . 10 ILE CB 1 1 2 347 1 1 10 ILE CD1 C 10.381 1.521 9.681 1.00 . A A . 10 ILE CD1 1 1 2 348 1 1 10 ILE CG1 C 10.935 2.257 8.481 1.00 . A A . 10 ILE CG1 1 1 2 349 1 1 10 ILE CG2 C 8.658 2.723 7.538 1.00 . A A . 10 ILE CG2 1 1 2 350 1 1 10 ILE H H 11.849 0.554 5.859 1.00 . A A . 10 ILE H 1 1 2 351 1 1 10 ILE HA H 9.464 0.125 7.538 1.00 . A A . 10 ILE HA 1 1 2 352 1 1 10 ILE HB H 10.478 2.753 6.448 1.00 . A A . 10 ILE HB 1 1 2 353 1 1 10 ILE HD11 H 9.423 1.092 9.430 1.00 . A A . 10 ILE HD11 1 1 2 354 1 1 10 ILE HD12 H 11.064 0.736 9.969 1.00 . A A . 10 ILE HD12 1 1 2 355 1 1 10 ILE HD13 H 10.261 2.213 10.503 1.00 . A A . 10 ILE HD13 1 1 2 356 1 1 10 ILE HG12 H 11.902 1.837 8.252 1.00 . A A . 10 ILE HG12 1 1 2 357 1 1 10 ILE HG13 H 11.054 3.296 8.754 1.00 . A A . 10 ILE HG13 1 1 2 358 1 1 10 ILE HG21 H 8.213 3.086 6.623 1.00 . A A . 10 ILE HG21 1 1 2 359 1 1 10 ILE HG22 H 8.038 1.943 7.954 1.00 . A A . 10 ILE HG22 1 1 2 360 1 1 10 ILE HG23 H 8.740 3.534 8.245 1.00 . A A . 10 ILE HG23 1 1 2 361 1 1 10 ILE N N 11.259 0.133 6.518 1.00 . A A . 10 ILE N 1 1 2 362 1 1 10 ILE O O 9.324 1.378 4.540 1.00 . A A . 10 ILE O 1 1 2 363 1 1 11 CYS C C 5.725 -0.039 4.793 1.00 . A A . 11 CYS C 1 1 2 364 1 1 11 CYS CA C 7.163 -0.351 4.389 1.00 . A A . 11 CYS CA 1 1 2 365 1 1 11 CYS CB C 7.249 -1.770 3.823 1.00 . A A . 11 CYS CB 1 1 2 366 1 1 11 CYS H H 7.920 -0.755 6.325 1.00 . A A . 11 CYS H 1 1 2 367 1 1 11 CYS HA H 7.471 0.350 3.629 1.00 . A A . 11 CYS HA 1 1 2 368 1 1 11 CYS HB2 H 8.229 -2.174 4.032 1.00 . A A . 11 CYS HB2 1 1 2 369 1 1 11 CYS HB3 H 6.502 -2.386 4.300 1.00 . A A . 11 CYS HB3 1 1 2 370 1 1 11 CYS N N 8.065 -0.205 5.526 1.00 . A A . 11 CYS N 1 1 2 371 1 1 11 CYS O O 5.232 -0.534 5.807 1.00 . A A . 11 CYS O 1 1 2 372 1 1 11 CYS SG S 6.983 -1.869 2.023 1.00 . A A . 11 CYS SG 1 1 2 373 1 1 12 PHE C C 2.719 0.030 3.907 1.00 . A A . 12 PHE C 1 1 2 374 1 1 12 PHE CA C 3.676 1.164 4.265 1.00 . A A . 12 PHE CA 1 1 2 375 1 1 12 PHE CB C 3.306 2.425 3.481 1.00 . A A . 12 PHE CB 1 1 2 376 1 1 12 PHE CD1 C 4.944 4.136 4.309 1.00 . A A . 12 PHE CD1 1 1 2 377 1 1 12 PHE CD2 C 2.630 4.459 4.785 1.00 . A A . 12 PHE CD2 1 1 2 378 1 1 12 PHE CE1 C 5.249 5.308 4.976 1.00 . A A . 12 PHE CE1 1 1 2 379 1 1 12 PHE CE2 C 2.928 5.632 5.451 1.00 . A A . 12 PHE CE2 1 1 2 380 1 1 12 PHE CG C 3.633 3.699 4.206 1.00 . A A . 12 PHE CG 1 1 2 381 1 1 12 PHE CZ C 4.239 6.057 5.548 1.00 . A A . 12 PHE CZ 1 1 2 382 1 1 12 PHE H H 5.504 1.147 3.198 1.00 . A A . 12 PHE H 1 1 2 383 1 1 12 PHE HA H 3.592 1.369 5.321 1.00 . A A . 12 PHE HA 1 1 2 384 1 1 12 PHE HB2 H 3.844 2.429 2.545 1.00 . A A . 12 PHE HB2 1 1 2 385 1 1 12 PHE HB3 H 2.245 2.418 3.282 1.00 . A A . 12 PHE HB3 1 1 2 386 1 1 12 PHE HD1 H 5.735 3.550 3.862 1.00 . A A . 12 PHE HD1 1 1 2 387 1 1 12 PHE HD2 H 1.604 4.129 4.711 1.00 . A A . 12 PHE HD2 1 1 2 388 1 1 12 PHE HE1 H 6.275 5.636 5.049 1.00 . A A . 12 PHE HE1 1 1 2 389 1 1 12 PHE HE2 H 2.137 6.216 5.899 1.00 . A A . 12 PHE HE2 1 1 2 390 1 1 12 PHE HZ H 4.475 6.973 6.069 1.00 . A A . 12 PHE HZ 1 1 2 391 1 1 12 PHE N N 5.057 0.785 3.992 1.00 . A A . 12 PHE N 1 1 2 392 1 1 12 PHE O O 3.051 -0.878 3.144 1.00 . A A . 12 PHE O 1 1 2 393 1 1 13 PRO C C -0.075 -0.870 2.803 1.00 . A A . 13 PRO C 1 1 2 394 1 1 13 PRO CA C 0.473 -0.932 4.225 1.00 . A A . 13 PRO CA 1 1 2 395 1 1 13 PRO CB C -0.620 -0.578 5.235 1.00 . A A . 13 PRO CB 1 1 2 396 1 1 13 PRO CD C 1.040 1.136 5.388 1.00 . A A . 13 PRO CD 1 1 2 397 1 1 13 PRO CG C -0.438 0.878 5.497 1.00 . A A . 13 PRO CG 1 1 2 398 1 1 13 PRO HA H 0.842 -1.927 4.425 1.00 . A A . 13 PRO HA 1 1 2 399 1 1 13 PRO HB2 H -1.591 -0.784 4.806 1.00 . A A . 13 PRO HB2 1 1 2 400 1 1 13 PRO HB3 H -0.487 -1.160 6.135 1.00 . A A . 13 PRO HB3 1 1 2 401 1 1 13 PRO HD2 H 1.222 2.116 4.974 1.00 . A A . 13 PRO HD2 1 1 2 402 1 1 13 PRO HD3 H 1.512 1.039 6.355 1.00 . A A . 13 PRO HD3 1 1 2 403 1 1 13 PRO HG2 H -0.974 1.454 4.758 1.00 . A A . 13 PRO HG2 1 1 2 404 1 1 13 PRO HG3 H -0.788 1.119 6.490 1.00 . A A . 13 PRO HG3 1 1 2 405 1 1 13 PRO N N 1.503 0.082 4.470 1.00 . A A . 13 PRO N 1 1 2 406 1 1 13 PRO O O -0.210 -1.896 2.135 1.00 . A A . 13 PRO O 1 1 2 407 1 1 14 ASP C C -0.028 -0.139 -0.037 1.00 . A A . 14 ASP C 1 1 2 408 1 1 14 ASP CA C -0.919 0.532 1.003 1.00 . A A . 14 ASP CA 1 1 2 409 1 1 14 ASP CB C -1.049 2.025 0.694 1.00 . A A . 14 ASP CB 1 1 2 410 1 1 14 ASP CG C 0.124 2.829 1.220 1.00 . A A . 14 ASP CG 1 1 2 411 1 1 14 ASP H H -0.256 1.116 2.927 1.00 . A A . 14 ASP H 1 1 2 412 1 1 14 ASP HA H -1.899 0.080 0.965 1.00 . A A . 14 ASP HA 1 1 2 413 1 1 14 ASP HB2 H -1.103 2.161 -0.376 1.00 . A A . 14 ASP HB2 1 1 2 414 1 1 14 ASP HB3 H -1.953 2.402 1.148 1.00 . A A . 14 ASP HB3 1 1 2 415 1 1 14 ASP N N -0.387 0.337 2.347 1.00 . A A . 14 ASP N 1 1 2 416 1 1 14 ASP O O -0.431 -1.108 -0.682 1.00 . A A . 14 ASP O 1 1 2 417 1 1 14 ASP OD1 O 0.972 3.247 0.403 1.00 . A A . 14 ASP OD1 1 1 2 418 1 1 14 ASP OD2 O 0.195 3.040 2.449 1.00 . A A . 14 ASP OD2 1 1 3 419 1 1 1 GLY C C 2.954 0.601 -0.681 1.00 . A A . 1 GLY C 1 1 3 420 1 1 1 GLY CA C 1.519 0.115 -0.652 1.00 . A A . 1 GLY CA 1 1 3 421 1 1 1 GLY H1 H 1.355 0.850 1.327 1.00 . A A . 1 GLY H1 1 1 3 422 1 1 1 GLY HA2 H 1.509 -0.954 -0.807 1.00 . A A . 1 GLY HA2 1 1 3 423 1 1 1 GLY HA3 H 0.973 0.590 -1.454 1.00 . A A . 1 GLY HA3 1 1 3 424 1 1 1 GLY N N 0.857 0.412 0.605 1.00 . A A . 1 GLY N 1 1 3 425 1 1 1 GLY O O 3.886 -0.199 -0.756 1.00 . A A . 1 GLY O 1 1 3 426 1 1 2 ARG C C 5.363 1.869 0.406 1.00 . A A . 2 ARG C 1 1 3 427 1 1 2 ARG CA C 4.464 2.510 -0.647 1.00 . A A . 2 ARG CA 1 1 3 428 1 1 2 ARG CB C 4.378 4.019 -0.410 1.00 . A A . 2 ARG CB 1 1 3 429 1 1 2 ARG CD C 5.268 4.928 -2.577 1.00 . A A . 2 ARG CD 1 1 3 430 1 1 2 ARG CG C 4.057 4.815 -1.664 1.00 . A A . 2 ARG CG 1 1 3 431 1 1 2 ARG CZ C 7.228 6.386 -2.862 1.00 . A A . 2 ARG CZ 1 1 3 432 1 1 2 ARG H H 2.349 2.504 -0.565 1.00 . A A . 2 ARG H 1 1 3 433 1 1 2 ARG HA H 4.889 2.331 -1.623 1.00 . A A . 2 ARG HA 1 1 3 434 1 1 2 ARG HB2 H 3.607 4.213 0.320 1.00 . A A . 2 ARG HB2 1 1 3 435 1 1 2 ARG HB3 H 5.325 4.364 -0.023 1.00 . A A . 2 ARG HB3 1 1 3 436 1 1 2 ARG HD2 H 5.896 4.063 -2.429 1.00 . A A . 2 ARG HD2 1 1 3 437 1 1 2 ARG HD3 H 4.928 4.955 -3.602 1.00 . A A . 2 ARG HD3 1 1 3 438 1 1 2 ARG HE H 5.675 6.783 -1.675 1.00 . A A . 2 ARG HE 1 1 3 439 1 1 2 ARG HG2 H 3.262 4.319 -2.201 1.00 . A A . 2 ARG HG2 1 1 3 440 1 1 2 ARG HG3 H 3.739 5.806 -1.378 1.00 . A A . 2 ARG HG3 1 1 3 441 1 1 2 ARG HH11 H 7.271 4.682 -3.946 1.00 . A A . 2 ARG HH11 1 1 3 442 1 1 2 ARG HH12 H 8.646 5.718 -4.137 1.00 . A A . 2 ARG HH12 1 1 3 443 1 1 2 ARG HH21 H 7.480 8.156 -1.918 1.00 . A A . 2 ARG HH21 1 1 3 444 1 1 2 ARG HH22 H 8.764 7.693 -2.983 1.00 . A A . 2 ARG HH22 1 1 3 445 1 1 2 ARG N N 3.132 1.917 -0.624 1.00 . A A . 2 ARG N 1 1 3 446 1 1 2 ARG NE N 6.049 6.132 -2.305 1.00 . A A . 2 ARG NE 1 1 3 447 1 1 2 ARG NH1 N 7.759 5.524 -3.718 1.00 . A A . 2 ARG NH1 1 1 3 448 1 1 2 ARG NH2 N 7.877 7.504 -2.563 1.00 . A A . 2 ARG NH2 1 1 3 449 1 1 2 ARG O O 4.890 1.151 1.288 1.00 . A A . 2 ARG O 1 1 3 450 1 1 3 CYS C C 8.809 2.529 1.435 1.00 . A A . 3 CYS C 1 1 3 451 1 1 3 CYS CA C 7.628 1.580 1.250 1.00 . A A . 3 CYS CA 1 1 3 452 1 1 3 CYS CB C 8.125 0.217 0.764 1.00 . A A . 3 CYS CB 1 1 3 453 1 1 3 CYS H H 6.979 2.711 -0.418 1.00 . A A . 3 CYS H 1 1 3 454 1 1 3 CYS HA H 7.130 1.455 2.199 1.00 . A A . 3 CYS HA 1 1 3 455 1 1 3 CYS HB2 H 8.313 0.269 -0.299 1.00 . A A . 3 CYS HB2 1 1 3 456 1 1 3 CYS HB3 H 9.045 -0.025 1.275 1.00 . A A . 3 CYS HB3 1 1 3 457 1 1 3 CYS N N 6.662 2.132 0.307 1.00 . A A . 3 CYS N 1 1 3 458 1 1 3 CYS O O 9.001 3.460 0.653 1.00 . A A . 3 CYS O 1 1 3 459 1 1 3 CYS SG S 6.953 -1.147 1.052 1.00 . A A . 3 CYS SG 1 1 3 460 1 1 4 THR C C 11.965 2.685 1.936 1.00 . A A . 4 THR C 1 1 3 461 1 1 4 THR CA C 10.761 3.116 2.765 1.00 . A A . 4 THR CA 1 1 3 462 1 1 4 THR CB C 11.133 3.061 4.259 1.00 . A A . 4 THR CB 1 1 3 463 1 1 4 THR CG2 C 9.913 3.318 5.130 1.00 . A A . 4 THR CG2 1 1 3 464 1 1 4 THR H H 9.394 1.527 3.063 1.00 . A A . 4 THR H 1 1 3 465 1 1 4 THR HA H 10.511 4.137 2.515 1.00 . A A . 4 THR HA 1 1 3 466 1 1 4 THR HB H 11.868 3.827 4.459 1.00 . A A . 4 THR HB 1 1 3 467 1 1 4 THR HG1 H 12.617 1.887 4.815 1.00 . A A . 4 THR HG1 1 1 3 468 1 1 4 THR HG21 H 9.264 2.455 5.105 1.00 . A A . 4 THR HG21 1 1 3 469 1 1 4 THR HG22 H 9.380 4.180 4.759 1.00 . A A . 4 THR HG22 1 1 3 470 1 1 4 THR HG23 H 10.229 3.500 6.146 1.00 . A A . 4 THR HG23 1 1 3 471 1 1 4 THR N N 9.599 2.285 2.476 1.00 . A A . 4 THR N 1 1 3 472 1 1 4 THR O O 12.414 1.543 2.026 1.00 . A A . 4 THR O 1 1 3 473 1 1 4 THR OG1 O 11.692 1.782 4.577 1.00 . A A . 4 THR OG1 1 1 3 474 1 1 5 GLN C C 14.873 3.031 1.133 1.00 . A A . 5 GLN C 1 1 3 475 1 1 5 GLN CA C 13.638 3.320 0.287 1.00 . A A . 5 GLN CA 1 1 3 476 1 1 5 GLN CB C 13.912 4.494 -0.654 1.00 . A A . 5 GLN CB 1 1 3 477 1 1 5 GLN CD C 13.163 5.816 -2.673 1.00 . A A . 5 GLN CD 1 1 3 478 1 1 5 GLN CG C 12.915 4.604 -1.797 1.00 . A A . 5 GLN CG 1 1 3 479 1 1 5 GLN H H 12.082 4.499 1.104 1.00 . A A . 5 GLN H 1 1 3 480 1 1 5 GLN HA H 13.408 2.445 -0.302 1.00 . A A . 5 GLN HA 1 1 3 481 1 1 5 GLN HB2 H 13.877 5.412 -0.085 1.00 . A A . 5 GLN HB2 1 1 3 482 1 1 5 GLN HB3 H 14.899 4.379 -1.077 1.00 . A A . 5 GLN HB3 1 1 3 483 1 1 5 GLN HE21 H 13.887 4.655 -4.116 1.00 . A A . 5 GLN HE21 1 1 3 484 1 1 5 GLN HE22 H 13.861 6.349 -4.456 1.00 . A A . 5 GLN HE22 1 1 3 485 1 1 5 GLN HG2 H 12.988 3.717 -2.408 1.00 . A A . 5 GLN HG2 1 1 3 486 1 1 5 GLN HG3 H 11.920 4.674 -1.383 1.00 . A A . 5 GLN HG3 1 1 3 487 1 1 5 GLN N N 12.484 3.606 1.131 1.00 . A A . 5 GLN N 1 1 3 488 1 1 5 GLN NE2 N 13.691 5.584 -3.869 1.00 . A A . 5 GLN NE2 1 1 3 489 1 1 5 GLN O O 15.534 2.008 0.955 1.00 . A A . 5 GLN O 1 1 3 490 1 1 5 GLN OE1 O 12.883 6.949 -2.279 1.00 . A A . 5 GLN OE1 1 1 3 491 1 1 6 ALA C C 15.961 3.038 4.203 1.00 . A A . 6 ALA C 1 1 3 492 1 1 6 ALA CA C 16.336 3.783 2.927 1.00 . A A . 6 ALA CA 1 1 3 493 1 1 6 ALA CB C 16.933 5.141 3.262 1.00 . A A . 6 ALA CB 1 1 3 494 1 1 6 ALA H H 14.615 4.735 2.146 1.00 . A A . 6 ALA H 1 1 3 495 1 1 6 ALA HA H 17.082 3.211 2.394 1.00 . A A . 6 ALA HA 1 1 3 496 1 1 6 ALA HB1 H 16.618 5.864 2.524 1.00 . A A . 6 ALA HB1 1 1 3 497 1 1 6 ALA HB2 H 16.594 5.452 4.239 1.00 . A A . 6 ALA HB2 1 1 3 498 1 1 6 ALA HB3 H 18.010 5.071 3.260 1.00 . A A . 6 ALA HB3 1 1 3 499 1 1 6 ALA N N 15.180 3.941 2.052 1.00 . A A . 6 ALA N 1 1 3 500 1 1 6 ALA O O 14.781 2.882 4.518 1.00 . A A . 6 ALA O 1 1 3 501 1 1 7 TRP C C 16.226 2.779 7.267 1.00 . A A . 7 TRP C 1 1 3 502 1 1 7 TRP CA C 16.746 1.850 6.176 1.00 . A A . 7 TRP CA 1 1 3 503 1 1 7 TRP CB C 18.039 1.176 6.637 1.00 . A A . 7 TRP CB 1 1 3 504 1 1 7 TRP CD1 C 17.792 -0.739 4.951 1.00 . A A . 7 TRP CD1 1 1 3 505 1 1 7 TRP CD2 C 18.722 -1.341 6.897 1.00 . A A . 7 TRP CD2 1 1 3 506 1 1 7 TRP CE2 C 18.644 -2.475 6.067 1.00 . A A . 7 TRP CE2 1 1 3 507 1 1 7 TRP CE3 C 19.274 -1.477 8.174 1.00 . A A . 7 TRP CE3 1 1 3 508 1 1 7 TRP CG C 18.172 -0.241 6.164 1.00 . A A . 7 TRP CG 1 1 3 509 1 1 7 TRP CH2 C 19.633 -3.833 7.728 1.00 . A A . 7 TRP CH2 1 1 3 510 1 1 7 TRP CZ2 C 19.096 -3.728 6.473 1.00 . A A . 7 TRP CZ2 1 1 3 511 1 1 7 TRP CZ3 C 19.723 -2.721 8.576 1.00 . A A . 7 TRP CZ3 1 1 3 512 1 1 7 TRP H H 17.890 2.735 4.630 1.00 . A A . 7 TRP H 1 1 3 513 1 1 7 TRP HA H 16.003 1.089 5.983 1.00 . A A . 7 TRP HA 1 1 3 514 1 1 7 TRP HB2 H 18.883 1.733 6.259 1.00 . A A . 7 TRP HB2 1 1 3 515 1 1 7 TRP HB3 H 18.069 1.172 7.717 1.00 . A A . 7 TRP HB3 1 1 3 516 1 1 7 TRP HD1 H 17.337 -0.151 4.168 1.00 . A A . 7 TRP HD1 1 1 3 517 1 1 7 TRP HE1 H 17.893 -2.664 4.117 1.00 . A A . 7 TRP HE1 1 1 3 518 1 1 7 TRP HE3 H 19.352 -0.632 8.842 1.00 . A A . 7 TRP HE3 1 1 3 519 1 1 7 TRP HH2 H 19.995 -4.784 8.084 1.00 . A A . 7 TRP HH2 1 1 3 520 1 1 7 TRP HZ2 H 19.034 -4.594 5.831 1.00 . A A . 7 TRP HZ2 1 1 3 521 1 1 7 TRP HZ3 H 20.152 -2.845 9.559 1.00 . A A . 7 TRP HZ3 1 1 3 522 1 1 7 TRP N N 16.971 2.579 4.933 1.00 . A A . 7 TRP N 1 1 3 523 1 1 7 TRP NE1 N 18.072 -2.082 4.886 1.00 . A A . 7 TRP NE1 1 1 3 524 1 1 7 TRP O O 16.359 4.001 7.190 1.00 . A A . 7 TRP O 1 1 3 525 1 1 8 PRO C C 14.455 0.194 7.396 1.00 . A A . 8 PRO C 1 1 3 526 1 1 8 PRO CA C 15.455 0.737 8.411 1.00 . A A . 8 PRO CA 1 1 3 527 1 1 8 PRO CB C 14.932 0.539 9.835 1.00 . A A . 8 PRO CB 1 1 3 528 1 1 8 PRO CD C 15.047 2.898 9.466 1.00 . A A . 8 PRO CD 1 1 3 529 1 1 8 PRO CG C 14.267 1.827 10.178 1.00 . A A . 8 PRO CG 1 1 3 530 1 1 8 PRO HA H 16.398 0.223 8.296 1.00 . A A . 8 PRO HA 1 1 3 531 1 1 8 PRO HB2 H 14.232 -0.285 9.853 1.00 . A A . 8 PRO HB2 1 1 3 532 1 1 8 PRO HB3 H 15.757 0.332 10.500 1.00 . A A . 8 PRO HB3 1 1 3 533 1 1 8 PRO HD2 H 14.391 3.694 9.146 1.00 . A A . 8 PRO HD2 1 1 3 534 1 1 8 PRO HD3 H 15.827 3.284 10.105 1.00 . A A . 8 PRO HD3 1 1 3 535 1 1 8 PRO HG2 H 13.245 1.816 9.832 1.00 . A A . 8 PRO HG2 1 1 3 536 1 1 8 PRO HG3 H 14.302 1.986 11.245 1.00 . A A . 8 PRO HG3 1 1 3 537 1 1 8 PRO N N 15.619 2.190 8.308 1.00 . A A . 8 PRO N 1 1 3 538 1 1 8 PRO O O 13.715 0.942 6.756 1.00 . A A . 8 PRO O 1 1 3 539 1 1 9 PRO C C 12.068 -1.737 6.756 1.00 . A A . 9 PRO C 1 1 3 540 1 1 9 PRO CA C 13.524 -1.811 6.308 1.00 . A A . 9 PRO CA 1 1 3 541 1 1 9 PRO CB C 14.014 -3.261 6.320 1.00 . A A . 9 PRO CB 1 1 3 542 1 1 9 PRO CD C 15.284 -2.091 7.973 1.00 . A A . 9 PRO CD 1 1 3 543 1 1 9 PRO CG C 14.676 -3.426 7.645 1.00 . A A . 9 PRO CG 1 1 3 544 1 1 9 PRO HA H 13.613 -1.408 5.309 1.00 . A A . 9 PRO HA 1 1 3 545 1 1 9 PRO HB2 H 13.171 -3.929 6.213 1.00 . A A . 9 PRO HB2 1 1 3 546 1 1 9 PRO HB3 H 14.710 -3.417 5.509 1.00 . A A . 9 PRO HB3 1 1 3 547 1 1 9 PRO HD2 H 15.243 -1.908 9.036 1.00 . A A . 9 PRO HD2 1 1 3 548 1 1 9 PRO HD3 H 16.303 -2.043 7.619 1.00 . A A . 9 PRO HD3 1 1 3 549 1 1 9 PRO HG2 H 13.944 -3.698 8.390 1.00 . A A . 9 PRO HG2 1 1 3 550 1 1 9 PRO HG3 H 15.445 -4.182 7.579 1.00 . A A . 9 PRO HG3 1 1 3 551 1 1 9 PRO N N 14.430 -1.138 7.243 1.00 . A A . 9 PRO N 1 1 3 552 1 1 9 PRO O O 11.544 -2.678 7.352 1.00 . A A . 9 PRO O 1 1 3 553 1 1 10 ILE C C 9.146 -0.247 5.602 1.00 . A A . 10 ILE C 1 1 3 554 1 1 10 ILE CA C 10.025 -0.418 6.836 1.00 . A A . 10 ILE CA 1 1 3 555 1 1 10 ILE CB C 9.853 0.809 7.750 1.00 . A A . 10 ILE CB 1 1 3 556 1 1 10 ILE CD1 C 10.728 -0.436 9.790 1.00 . A A . 10 ILE CD1 1 1 3 557 1 1 10 ILE CG1 C 10.872 0.771 8.890 1.00 . A A . 10 ILE CG1 1 1 3 558 1 1 10 ILE CG2 C 8.436 0.864 8.301 1.00 . A A . 10 ILE CG2 1 1 3 559 1 1 10 ILE H H 11.893 0.100 5.987 1.00 . A A . 10 ILE H 1 1 3 560 1 1 10 ILE HA H 9.699 -1.295 7.378 1.00 . A A . 10 ILE HA 1 1 3 561 1 1 10 ILE HB H 10.017 1.696 7.158 1.00 . A A . 10 ILE HB 1 1 3 562 1 1 10 ILE HD11 H 11.604 -1.061 9.698 1.00 . A A . 10 ILE HD11 1 1 3 563 1 1 10 ILE HD12 H 10.621 -0.112 10.814 1.00 . A A . 10 ILE HD12 1 1 3 564 1 1 10 ILE HD13 H 9.853 -1.000 9.498 1.00 . A A . 10 ILE HD13 1 1 3 565 1 1 10 ILE HG12 H 11.868 0.756 8.474 1.00 . A A . 10 ILE HG12 1 1 3 566 1 1 10 ILE HG13 H 10.754 1.656 9.498 1.00 . A A . 10 ILE HG13 1 1 3 567 1 1 10 ILE HG21 H 8.199 -0.076 8.778 1.00 . A A . 10 ILE HG21 1 1 3 568 1 1 10 ILE HG22 H 8.362 1.662 9.025 1.00 . A A . 10 ILE HG22 1 1 3 569 1 1 10 ILE HG23 H 7.742 1.043 7.494 1.00 . A A . 10 ILE HG23 1 1 3 570 1 1 10 ILE N N 11.421 -0.614 6.464 1.00 . A A . 10 ILE N 1 1 3 571 1 1 10 ILE O O 9.599 0.245 4.567 1.00 . A A . 10 ILE O 1 1 3 572 1 1 11 CYS C C 5.599 -0.006 5.096 1.00 . A A . 11 CYS C 1 1 3 573 1 1 11 CYS CA C 6.942 -0.545 4.612 1.00 . A A . 11 CYS CA 1 1 3 574 1 1 11 CYS CB C 6.747 -1.907 3.944 1.00 . A A . 11 CYS CB 1 1 3 575 1 1 11 CYS H H 7.585 -1.038 6.568 1.00 . A A . 11 CYS H 1 1 3 576 1 1 11 CYS HA H 7.354 0.144 3.891 1.00 . A A . 11 CYS HA 1 1 3 577 1 1 11 CYS HB2 H 6.885 -2.684 4.682 1.00 . A A . 11 CYS HB2 1 1 3 578 1 1 11 CYS HB3 H 5.743 -1.966 3.551 1.00 . A A . 11 CYS HB3 1 1 3 579 1 1 11 CYS N N 7.887 -0.654 5.718 1.00 . A A . 11 CYS N 1 1 3 580 1 1 11 CYS O O 5.131 -0.357 6.179 1.00 . A A . 11 CYS O 1 1 3 581 1 1 11 CYS SG S 7.901 -2.236 2.574 1.00 . A A . 11 CYS SG 1 1 3 582 1 1 12 PHE C C 2.567 0.430 4.433 1.00 . A A . 12 PHE C 1 1 3 583 1 1 12 PHE CA C 3.695 1.438 4.631 1.00 . A A . 12 PHE CA 1 1 3 584 1 1 12 PHE CB C 3.436 2.684 3.781 1.00 . A A . 12 PHE CB 1 1 3 585 1 1 12 PHE CD1 C 4.859 4.745 3.629 1.00 . A A . 12 PHE CD1 1 1 3 586 1 1 12 PHE CD2 C 3.699 4.318 5.668 1.00 . A A . 12 PHE CD2 1 1 3 587 1 1 12 PHE CE1 C 5.388 5.903 4.168 1.00 . A A . 12 PHE CE1 1 1 3 588 1 1 12 PHE CE2 C 4.224 5.474 6.212 1.00 . A A . 12 PHE CE2 1 1 3 589 1 1 12 PHE CG C 4.009 3.941 4.371 1.00 . A A . 12 PHE CG 1 1 3 590 1 1 12 PHE CZ C 5.071 6.267 5.462 1.00 . A A . 12 PHE CZ 1 1 3 591 1 1 12 PHE H H 5.408 1.091 3.435 1.00 . A A . 12 PHE H 1 1 3 592 1 1 12 PHE HA H 3.730 1.722 5.671 1.00 . A A . 12 PHE HA 1 1 3 593 1 1 12 PHE HB2 H 3.878 2.544 2.806 1.00 . A A . 12 PHE HB2 1 1 3 594 1 1 12 PHE HB3 H 2.371 2.822 3.674 1.00 . A A . 12 PHE HB3 1 1 3 595 1 1 12 PHE HD1 H 5.108 4.461 2.616 1.00 . A A . 12 PHE HD1 1 1 3 596 1 1 12 PHE HD2 H 3.038 3.698 6.256 1.00 . A A . 12 PHE HD2 1 1 3 597 1 1 12 PHE HE1 H 6.049 6.520 3.578 1.00 . A A . 12 PHE HE1 1 1 3 598 1 1 12 PHE HE2 H 3.975 5.757 7.224 1.00 . A A . 12 PHE HE2 1 1 3 599 1 1 12 PHE HZ H 5.482 7.171 5.885 1.00 . A A . 12 PHE HZ 1 1 3 600 1 1 12 PHE N N 4.984 0.849 4.286 1.00 . A A . 12 PHE N 1 1 3 601 1 1 12 PHE O O 2.706 -0.564 3.719 1.00 . A A . 12 PHE O 1 1 3 602 1 1 13 PRO C C -0.407 -0.136 3.614 1.00 . A A . 13 PRO C 1 1 3 603 1 1 13 PRO CA C 0.246 -0.182 4.991 1.00 . A A . 13 PRO CA 1 1 3 604 1 1 13 PRO CB C -0.699 0.389 6.051 1.00 . A A . 13 PRO CB 1 1 3 605 1 1 13 PRO CD C 1.185 1.856 5.948 1.00 . A A . 13 PRO CD 1 1 3 606 1 1 13 PRO CG C -0.299 1.817 6.186 1.00 . A A . 13 PRO CG 1 1 3 607 1 1 13 PRO HA H 0.492 -1.204 5.238 1.00 . A A . 13 PRO HA 1 1 3 608 1 1 13 PRO HB2 H -1.722 0.294 5.713 1.00 . A A . 13 PRO HB2 1 1 3 609 1 1 13 PRO HB3 H -0.570 -0.147 6.980 1.00 . A A . 13 PRO HB3 1 1 3 610 1 1 13 PRO HD2 H 1.463 2.772 5.447 1.00 . A A . 13 PRO HD2 1 1 3 611 1 1 13 PRO HD3 H 1.720 1.756 6.881 1.00 . A A . 13 PRO HD3 1 1 3 612 1 1 13 PRO HG2 H -0.813 2.414 5.449 1.00 . A A . 13 PRO HG2 1 1 3 613 1 1 13 PRO HG3 H -0.527 2.170 7.181 1.00 . A A . 13 PRO HG3 1 1 3 614 1 1 13 PRO N N 1.422 0.690 5.080 1.00 . A A . 13 PRO N 1 1 3 615 1 1 13 PRO O O -0.796 -1.167 3.067 1.00 . A A . 13 PRO O 1 1 3 616 1 1 14 ASP C C -0.479 0.325 0.717 1.00 . A A . 14 ASP C 1 1 3 617 1 1 14 ASP CA C -1.129 1.246 1.745 1.00 . A A . 14 ASP CA 1 1 3 618 1 1 14 ASP CB C -1.001 2.702 1.297 1.00 . A A . 14 ASP CB 1 1 3 619 1 1 14 ASP CG C 0.338 3.308 1.669 1.00 . A A . 14 ASP CG 1 1 3 620 1 1 14 ASP H H -0.194 1.851 3.546 1.00 . A A . 14 ASP H 1 1 3 621 1 1 14 ASP HA H -2.175 0.993 1.825 1.00 . A A . 14 ASP HA 1 1 3 622 1 1 14 ASP HB2 H -1.112 2.753 0.223 1.00 . A A . 14 ASP HB2 1 1 3 623 1 1 14 ASP HB3 H -1.782 3.285 1.763 1.00 . A A . 14 ASP HB3 1 1 3 624 1 1 14 ASP N N -0.524 1.066 3.060 1.00 . A A . 14 ASP N 1 1 3 625 1 1 14 ASP O O -1.096 -0.633 0.249 1.00 . A A . 14 ASP O 1 1 3 626 1 1 14 ASP OD1 O 1.250 3.301 0.816 1.00 . A A . 14 ASP OD1 1 1 3 627 1 1 14 ASP OD2 O 0.473 3.790 2.813 1.00 . A A . 14 ASP OD2 1 1 4 628 1 1 1 GLY C C 3.267 0.307 -0.774 1.00 . A A . 1 GLY C 1 1 4 629 1 1 1 GLY CA C 1.852 -0.219 -0.643 1.00 . A A . 1 GLY CA 1 1 4 630 1 1 1 GLY H1 H 1.786 0.075 1.453 1.00 . A A . 1 GLY H1 1 1 4 631 1 1 1 GLY HA2 H 1.867 -1.294 -0.748 1.00 . A A . 1 GLY HA2 1 1 4 632 1 1 1 GLY HA3 H 1.250 0.201 -1.435 1.00 . A A . 1 GLY HA3 1 1 4 633 1 1 1 GLY N N 1.250 0.119 0.633 1.00 . A A . 1 GLY N 1 1 4 634 1 1 1 GLY O O 4.180 -0.434 -1.140 1.00 . A A . 1 GLY O 1 1 4 635 1 1 2 ARG C C 5.740 1.570 0.418 1.00 . A A . 2 ARG C 1 1 4 636 1 1 2 ARG CA C 4.765 2.213 -0.564 1.00 . A A . 2 ARG CA 1 1 4 637 1 1 2 ARG CB C 4.660 3.714 -0.286 1.00 . A A . 2 ARG CB 1 1 4 638 1 1 2 ARG CD C 3.645 5.889 -1.033 1.00 . A A . 2 ARG CD 1 1 4 639 1 1 2 ARG CG C 4.139 4.517 -1.466 1.00 . A A . 2 ARG CG 1 1 4 640 1 1 2 ARG CZ C 2.594 7.867 -2.046 1.00 . A A . 2 ARG CZ 1 1 4 641 1 1 2 ARG H H 2.684 2.127 -0.189 1.00 . A A . 2 ARG H 1 1 4 642 1 1 2 ARG HA H 5.135 2.068 -1.568 1.00 . A A . 2 ARG HA 1 1 4 643 1 1 2 ARG HB2 H 3.991 3.868 0.549 1.00 . A A . 2 ARG HB2 1 1 4 644 1 1 2 ARG HB3 H 5.638 4.089 -0.026 1.00 . A A . 2 ARG HB3 1 1 4 645 1 1 2 ARG HD2 H 2.808 5.760 -0.363 1.00 . A A . 2 ARG HD2 1 1 4 646 1 1 2 ARG HD3 H 4.445 6.397 -0.514 1.00 . A A . 2 ARG HD3 1 1 4 647 1 1 2 ARG HE H 3.418 6.365 -3.067 1.00 . A A . 2 ARG HE 1 1 4 648 1 1 2 ARG HG2 H 4.937 4.644 -2.183 1.00 . A A . 2 ARG HG2 1 1 4 649 1 1 2 ARG HG3 H 3.323 3.978 -1.924 1.00 . A A . 2 ARG HG3 1 1 4 650 1 1 2 ARG HH11 H 2.582 7.838 -0.026 1.00 . A A . 2 ARG HH11 1 1 4 651 1 1 2 ARG HH12 H 1.844 9.227 -0.753 1.00 . A A . 2 ARG HH12 1 1 4 652 1 1 2 ARG HH21 H 2.450 8.188 -4.036 1.00 . A A . 2 ARG HH21 1 1 4 653 1 1 2 ARG HH22 H 1.769 9.425 -3.034 1.00 . A A . 2 ARG HH22 1 1 4 654 1 1 2 ARG N N 3.451 1.589 -0.475 1.00 . A A . 2 ARG N 1 1 4 655 1 1 2 ARG NE N 3.223 6.703 -2.169 1.00 . A A . 2 ARG NE 1 1 4 656 1 1 2 ARG NH1 N 2.317 8.350 -0.843 1.00 . A A . 2 ARG NH1 1 1 4 657 1 1 2 ARG NH2 N 2.242 8.549 -3.128 1.00 . A A . 2 ARG NH2 1 1 4 658 1 1 2 ARG O O 5.332 0.979 1.418 1.00 . A A . 2 ARG O 1 1 4 659 1 1 3 CYS C C 9.245 2.078 1.119 1.00 . A A . 3 CYS C 1 1 4 660 1 1 3 CYS CA C 8.065 1.119 0.980 1.00 . A A . 3 CYS CA 1 1 4 661 1 1 3 CYS CB C 8.545 -0.218 0.413 1.00 . A A . 3 CYS CB 1 1 4 662 1 1 3 CYS H H 7.295 2.172 -0.687 1.00 . A A . 3 CYS H 1 1 4 663 1 1 3 CYS HA H 7.635 0.954 1.956 1.00 . A A . 3 CYS HA 1 1 4 664 1 1 3 CYS HB2 H 8.595 -0.147 -0.664 1.00 . A A . 3 CYS HB2 1 1 4 665 1 1 3 CYS HB3 H 9.530 -0.432 0.801 1.00 . A A . 3 CYS HB3 1 1 4 666 1 1 3 CYS N N 7.031 1.689 0.125 1.00 . A A . 3 CYS N 1 1 4 667 1 1 3 CYS O O 9.313 3.100 0.436 1.00 . A A . 3 CYS O 1 1 4 668 1 1 3 CYS SG S 7.468 -1.629 0.824 1.00 . A A . 3 CYS SG 1 1 4 669 1 1 4 THR C C 12.573 1.994 1.534 1.00 . A A . 4 THR C 1 1 4 670 1 1 4 THR CA C 11.350 2.568 2.238 1.00 . A A . 4 THR CA 1 1 4 671 1 1 4 THR CB C 11.654 2.706 3.742 1.00 . A A . 4 THR CB 1 1 4 672 1 1 4 THR CG2 C 10.625 3.596 4.423 1.00 . A A . 4 THR CG2 1 1 4 673 1 1 4 THR H H 10.063 0.912 2.522 1.00 . A A . 4 THR H 1 1 4 674 1 1 4 THR HA H 11.146 3.553 1.842 1.00 . A A . 4 THR HA 1 1 4 675 1 1 4 THR HB H 12.630 3.157 3.856 1.00 . A A . 4 THR HB 1 1 4 676 1 1 4 THR HG1 H 12.454 0.940 4.102 1.00 . A A . 4 THR HG1 1 1 4 677 1 1 4 THR HG21 H 10.901 3.738 5.458 1.00 . A A . 4 THR HG21 1 1 4 678 1 1 4 THR HG22 H 9.654 3.128 4.371 1.00 . A A . 4 THR HG22 1 1 4 679 1 1 4 THR HG23 H 10.592 4.553 3.925 1.00 . A A . 4 THR HG23 1 1 4 680 1 1 4 THR N N 10.173 1.739 2.008 1.00 . A A . 4 THR N 1 1 4 681 1 1 4 THR O O 13.052 0.916 1.883 1.00 . A A . 4 THR O 1 1 4 682 1 1 4 THR OG1 O 11.661 1.415 4.361 1.00 . A A . 4 THR OG1 1 1 4 683 1 1 5 GLN C C 15.448 2.104 0.708 1.00 . A A . 5 GLN C 1 1 4 684 1 1 5 GLN CA C 14.244 2.284 -0.211 1.00 . A A . 5 GLN CA 1 1 4 685 1 1 5 GLN CB C 14.575 3.292 -1.313 1.00 . A A . 5 GLN CB 1 1 4 686 1 1 5 GLN CD C 14.633 5.781 -1.743 1.00 . A A . 5 GLN CD 1 1 4 687 1 1 5 GLN CG C 14.982 4.658 -0.785 1.00 . A A . 5 GLN CG 1 1 4 688 1 1 5 GLN H H 12.649 3.573 0.310 1.00 . A A . 5 GLN H 1 1 4 689 1 1 5 GLN HA H 14.008 1.333 -0.665 1.00 . A A . 5 GLN HA 1 1 4 690 1 1 5 GLN HB2 H 15.387 2.903 -1.909 1.00 . A A . 5 GLN HB2 1 1 4 691 1 1 5 GLN HB3 H 13.706 3.418 -1.942 1.00 . A A . 5 GLN HB3 1 1 4 692 1 1 5 GLN HE21 H 15.009 7.132 -0.333 1.00 . A A . 5 GLN HE21 1 1 4 693 1 1 5 GLN HE22 H 14.506 7.761 -1.861 1.00 . A A . 5 GLN HE22 1 1 4 694 1 1 5 GLN HG2 H 14.474 4.834 0.151 1.00 . A A . 5 GLN HG2 1 1 4 695 1 1 5 GLN HG3 H 16.049 4.663 -0.621 1.00 . A A . 5 GLN HG3 1 1 4 696 1 1 5 GLN N N 13.075 2.722 0.542 1.00 . A A . 5 GLN N 1 1 4 697 1 1 5 GLN NE2 N 14.724 7.017 -1.264 1.00 . A A . 5 GLN NE2 1 1 4 698 1 1 5 GLN O O 16.265 1.206 0.508 1.00 . A A . 5 GLN O 1 1 4 699 1 1 5 GLN OE1 O 14.286 5.541 -2.899 1.00 . A A . 5 GLN OE1 1 1 4 700 1 1 6 ALA C C 16.247 2.146 3.927 1.00 . A A . 6 ALA C 1 1 4 701 1 1 6 ALA CA C 16.653 2.900 2.666 1.00 . A A . 6 ALA CA 1 1 4 702 1 1 6 ALA CB C 17.131 4.301 3.017 1.00 . A A . 6 ALA CB 1 1 4 703 1 1 6 ALA H H 14.867 3.659 1.822 1.00 . A A . 6 ALA H 1 1 4 704 1 1 6 ALA HA H 17.471 2.375 2.193 1.00 . A A . 6 ALA HA 1 1 4 705 1 1 6 ALA HB1 H 18.062 4.237 3.561 1.00 . A A . 6 ALA HB1 1 1 4 706 1 1 6 ALA HB2 H 17.281 4.868 2.110 1.00 . A A . 6 ALA HB2 1 1 4 707 1 1 6 ALA HB3 H 16.388 4.791 3.629 1.00 . A A . 6 ALA HB3 1 1 4 708 1 1 6 ALA N N 15.550 2.965 1.715 1.00 . A A . 6 ALA N 1 1 4 709 1 1 6 ALA O O 15.188 1.519 3.973 1.00 . A A . 6 ALA O 1 1 4 710 1 1 7 TRP C C 16.395 2.528 7.282 1.00 . A A . 7 TRP C 1 1 4 711 1 1 7 TRP CA C 16.823 1.532 6.210 1.00 . A A . 7 TRP CA 1 1 4 712 1 1 7 TRP CB C 18.060 0.762 6.676 1.00 . A A . 7 TRP CB 1 1 4 713 1 1 7 TRP CD1 C 17.523 -1.186 5.100 1.00 . A A . 7 TRP CD1 1 1 4 714 1 1 7 TRP CD2 C 18.638 -1.778 6.950 1.00 . A A . 7 TRP CD2 1 1 4 715 1 1 7 TRP CE2 C 18.407 -2.932 6.175 1.00 . A A . 7 TRP CE2 1 1 4 716 1 1 7 TRP CE3 C 19.326 -1.906 8.160 1.00 . A A . 7 TRP CE3 1 1 4 717 1 1 7 TRP CG C 18.065 -0.673 6.244 1.00 . A A . 7 TRP CG 1 1 4 718 1 1 7 TRP CH2 C 19.509 -4.290 7.763 1.00 . A A . 7 TRP CH2 1 1 4 719 1 1 7 TRP CZ2 C 18.839 -4.194 6.574 1.00 . A A . 7 TRP CZ2 1 1 4 720 1 1 7 TRP CZ3 C 19.753 -3.160 8.554 1.00 . A A . 7 TRP CZ3 1 1 4 721 1 1 7 TRP H H 17.922 2.725 4.851 1.00 . A A . 7 TRP H 1 1 4 722 1 1 7 TRP HA H 16.017 0.832 6.043 1.00 . A A . 7 TRP HA 1 1 4 723 1 1 7 TRP HB2 H 18.943 1.235 6.273 1.00 . A A . 7 TRP HB2 1 1 4 724 1 1 7 TRP HB3 H 18.104 0.786 7.756 1.00 . A A . 7 TRP HB3 1 1 4 725 1 1 7 TRP HD1 H 17.012 -0.599 4.353 1.00 . A A . 7 TRP HD1 1 1 4 726 1 1 7 TRP HE1 H 17.429 -3.138 4.331 1.00 . A A . 7 TRP HE1 1 1 4 727 1 1 7 TRP HE3 H 19.524 -1.047 8.783 1.00 . A A . 7 TRP HE3 1 1 4 728 1 1 7 TRP HH2 H 19.861 -5.249 8.110 1.00 . A A . 7 TRP HH2 1 1 4 729 1 1 7 TRP HZ2 H 18.659 -5.075 5.975 1.00 . A A . 7 TRP HZ2 1 1 4 730 1 1 7 TRP HZ3 H 20.286 -3.278 9.486 1.00 . A A . 7 TRP HZ3 1 1 4 731 1 1 7 TRP N N 17.094 2.210 4.948 1.00 . A A . 7 TRP N 1 1 4 732 1 1 7 TRP NE1 N 17.724 -2.544 5.053 1.00 . A A . 7 TRP NE1 1 1 4 733 1 1 7 TRP O O 16.629 3.732 7.174 1.00 . A A . 7 TRP O 1 1 4 734 1 1 8 PRO C C 14.415 0.105 7.491 1.00 . A A . 8 PRO C 1 1 4 735 1 1 8 PRO CA C 15.468 0.586 8.484 1.00 . A A . 8 PRO CA 1 1 4 736 1 1 8 PRO CB C 14.946 0.467 9.918 1.00 . A A . 8 PRO CB 1 1 4 737 1 1 8 PRO CD C 15.255 2.798 9.488 1.00 . A A . 8 PRO CD 1 1 4 738 1 1 8 PRO CG C 14.395 1.815 10.233 1.00 . A A . 8 PRO CG 1 1 4 739 1 1 8 PRO HA H 16.363 -0.009 8.374 1.00 . A A . 8 PRO HA 1 1 4 740 1 1 8 PRO HB2 H 14.180 -0.294 9.962 1.00 . A A . 8 PRO HB2 1 1 4 741 1 1 8 PRO HB3 H 15.758 0.208 10.580 1.00 . A A . 8 PRO HB3 1 1 4 742 1 1 8 PRO HD2 H 14.664 3.639 9.154 1.00 . A A . 8 PRO HD2 1 1 4 743 1 1 8 PRO HD3 H 16.072 3.133 10.111 1.00 . A A . 8 PRO HD3 1 1 4 744 1 1 8 PRO HG2 H 13.372 1.881 9.897 1.00 . A A . 8 PRO HG2 1 1 4 745 1 1 8 PRO HG3 H 14.455 1.996 11.297 1.00 . A A . 8 PRO HG3 1 1 4 746 1 1 8 PRO N N 15.753 2.018 8.344 1.00 . A A . 8 PRO N 1 1 4 747 1 1 8 PRO O O 13.696 0.896 6.880 1.00 . A A . 8 PRO O 1 1 4 748 1 1 9 PRO C C 11.918 -1.698 6.899 1.00 . A A . 9 PRO C 1 1 4 749 1 1 9 PRO CA C 13.355 -1.839 6.409 1.00 . A A . 9 PRO CA 1 1 4 750 1 1 9 PRO CB C 13.773 -3.311 6.393 1.00 . A A . 9 PRO CB 1 1 4 751 1 1 9 PRO CD C 15.144 -2.224 8.022 1.00 . A A . 9 PRO CD 1 1 4 752 1 1 9 PRO CG C 14.461 -3.524 7.697 1.00 . A A . 9 PRO CG 1 1 4 753 1 1 9 PRO HA H 13.437 -1.429 5.413 1.00 . A A . 9 PRO HA 1 1 4 754 1 1 9 PRO HB2 H 12.895 -3.936 6.303 1.00 . A A . 9 PRO HB2 1 1 4 755 1 1 9 PRO HB3 H 14.437 -3.492 5.562 1.00 . A A . 9 PRO HB3 1 1 4 756 1 1 9 PRO HD2 H 15.142 -2.053 9.088 1.00 . A A . 9 PRO HD2 1 1 4 757 1 1 9 PRO HD3 H 16.154 -2.223 7.640 1.00 . A A . 9 PRO HD3 1 1 4 758 1 1 9 PRO HG2 H 13.737 -3.768 8.459 1.00 . A A . 9 PRO HG2 1 1 4 759 1 1 9 PRO HG3 H 15.189 -4.316 7.602 1.00 . A A . 9 PRO HG3 1 1 4 760 1 1 9 PRO N N 14.319 -1.222 7.326 1.00 . A A . 9 PRO N 1 1 4 761 1 1 9 PRO O O 11.352 -2.631 7.468 1.00 . A A . 9 PRO O 1 1 4 762 1 1 10 ILE C C 9.066 0.020 5.888 1.00 . A A . 10 ILE C 1 1 4 763 1 1 10 ILE CA C 9.961 -0.264 7.089 1.00 . A A . 10 ILE CA 1 1 4 764 1 1 10 ILE CB C 9.886 0.925 8.065 1.00 . A A . 10 ILE CB 1 1 4 765 1 1 10 ILE CD1 C 8.265 2.159 9.590 1.00 . A A . 10 ILE CD1 1 1 4 766 1 1 10 ILE CG1 C 8.428 1.258 8.386 1.00 . A A . 10 ILE CG1 1 1 4 767 1 1 10 ILE CG2 C 10.595 2.137 7.478 1.00 . A A . 10 ILE CG2 1 1 4 768 1 1 10 ILE H H 11.836 0.179 6.214 1.00 . A A . 10 ILE H 1 1 4 769 1 1 10 ILE HA H 9.594 -1.145 7.597 1.00 . A A . 10 ILE HA 1 1 4 770 1 1 10 ILE HB H 10.394 0.648 8.976 1.00 . A A . 10 ILE HB 1 1 4 771 1 1 10 ILE HD11 H 7.382 1.870 10.140 1.00 . A A . 10 ILE HD11 1 1 4 772 1 1 10 ILE HD12 H 9.132 2.071 10.227 1.00 . A A . 10 ILE HD12 1 1 4 773 1 1 10 ILE HD13 H 8.163 3.184 9.261 1.00 . A A . 10 ILE HD13 1 1 4 774 1 1 10 ILE HG12 H 7.983 1.754 7.538 1.00 . A A . 10 ILE HG12 1 1 4 775 1 1 10 ILE HG13 H 7.892 0.340 8.583 1.00 . A A . 10 ILE HG13 1 1 4 776 1 1 10 ILE HG21 H 9.911 2.973 7.445 1.00 . A A . 10 ILE HG21 1 1 4 777 1 1 10 ILE HG22 H 11.443 2.391 8.095 1.00 . A A . 10 ILE HG22 1 1 4 778 1 1 10 ILE HG23 H 10.931 1.908 6.478 1.00 . A A . 10 ILE HG23 1 1 4 779 1 1 10 ILE N N 11.333 -0.526 6.673 1.00 . A A . 10 ILE N 1 1 4 780 1 1 10 ILE O O 9.237 1.026 5.198 1.00 . A A . 10 ILE O 1 1 4 781 1 1 11 CYS C C 5.862 -0.120 4.995 1.00 . A A . 11 CYS C 1 1 4 782 1 1 11 CYS CA C 7.187 -0.715 4.527 1.00 . A A . 11 CYS CA 1 1 4 783 1 1 11 CYS CB C 6.942 -2.065 3.850 1.00 . A A . 11 CYS CB 1 1 4 784 1 1 11 CYS H H 8.025 -1.652 6.230 1.00 . A A . 11 CYS H 1 1 4 785 1 1 11 CYS HA H 7.638 -0.042 3.814 1.00 . A A . 11 CYS HA 1 1 4 786 1 1 11 CYS HB2 H 7.011 -2.849 4.591 1.00 . A A . 11 CYS HB2 1 1 4 787 1 1 11 CYS HB3 H 5.951 -2.069 3.421 1.00 . A A . 11 CYS HB3 1 1 4 788 1 1 11 CYS N N 8.111 -0.870 5.644 1.00 . A A . 11 CYS N 1 1 4 789 1 1 11 CYS O O 5.272 -0.584 5.971 1.00 . A A . 11 CYS O 1 1 4 790 1 1 11 CYS SG S 8.125 -2.456 2.521 1.00 . A A . 11 CYS SG 1 1 4 791 1 1 12 PHE C C 2.967 0.616 4.464 1.00 . A A . 12 PHE C 1 1 4 792 1 1 12 PHE CA C 4.146 1.568 4.636 1.00 . A A . 12 PHE CA 1 1 4 793 1 1 12 PHE CB C 3.944 2.811 3.767 1.00 . A A . 12 PHE CB 1 1 4 794 1 1 12 PHE CD1 C 5.887 4.242 4.456 1.00 . A A . 12 PHE CD1 1 1 4 795 1 1 12 PHE CD2 C 3.681 5.061 4.846 1.00 . A A . 12 PHE CD2 1 1 4 796 1 1 12 PHE CE1 C 6.416 5.393 5.009 1.00 . A A . 12 PHE CE1 1 1 4 797 1 1 12 PHE CE2 C 4.205 6.214 5.399 1.00 . A A . 12 PHE CE2 1 1 4 798 1 1 12 PHE CG C 4.515 4.063 4.368 1.00 . A A . 12 PHE CG 1 1 4 799 1 1 12 PHE CZ C 5.573 6.380 5.482 1.00 . A A . 12 PHE CZ 1 1 4 800 1 1 12 PHE H H 5.917 1.233 3.525 1.00 . A A . 12 PHE H 1 1 4 801 1 1 12 PHE HA H 4.203 1.869 5.671 1.00 . A A . 12 PHE HA 1 1 4 802 1 1 12 PHE HB2 H 4.422 2.654 2.811 1.00 . A A . 12 PHE HB2 1 1 4 803 1 1 12 PHE HB3 H 2.887 2.966 3.615 1.00 . A A . 12 PHE HB3 1 1 4 804 1 1 12 PHE HD1 H 6.547 3.469 4.087 1.00 . A A . 12 PHE HD1 1 1 4 805 1 1 12 PHE HD2 H 2.611 4.932 4.783 1.00 . A A . 12 PHE HD2 1 1 4 806 1 1 12 PHE HE1 H 7.486 5.519 5.072 1.00 . A A . 12 PHE HE1 1 1 4 807 1 1 12 PHE HE2 H 3.544 6.984 5.769 1.00 . A A . 12 PHE HE2 1 1 4 808 1 1 12 PHE HZ H 5.985 7.280 5.913 1.00 . A A . 12 PHE HZ 1 1 4 809 1 1 12 PHE N N 5.401 0.909 4.293 1.00 . A A . 12 PHE N 1 1 4 810 1 1 12 PHE O O 3.053 -0.402 3.776 1.00 . A A . 12 PHE O 1 1 4 811 1 1 13 PRO C C -0.034 0.185 3.662 1.00 . A A . 13 PRO C 1 1 4 812 1 1 13 PRO CA C 0.618 0.140 5.040 1.00 . A A . 13 PRO CA 1 1 4 813 1 1 13 PRO CB C -0.294 0.786 6.085 1.00 . A A . 13 PRO CB 1 1 4 814 1 1 13 PRO CD C 1.664 2.150 5.944 1.00 . A A . 13 PRO CD 1 1 4 815 1 1 13 PRO CG C 0.180 2.195 6.184 1.00 . A A . 13 PRO CG 1 1 4 816 1 1 13 PRO HA H 0.811 -0.887 5.312 1.00 . A A . 13 PRO HA 1 1 4 817 1 1 13 PRO HB2 H -1.321 0.736 5.750 1.00 . A A . 13 PRO HB2 1 1 4 818 1 1 13 PRO HB3 H -0.191 0.268 7.027 1.00 . A A . 13 PRO HB3 1 1 4 819 1 1 13 PRO HD2 H 1.988 3.037 5.420 1.00 . A A . 13 PRO HD2 1 1 4 820 1 1 13 PRO HD3 H 2.194 2.046 6.879 1.00 . A A . 13 PRO HD3 1 1 4 821 1 1 13 PRO HG2 H -0.304 2.799 5.432 1.00 . A A . 13 PRO HG2 1 1 4 822 1 1 13 PRO HG3 H -0.028 2.583 7.170 1.00 . A A . 13 PRO HG3 1 1 4 823 1 1 13 PRO N N 1.838 0.952 5.106 1.00 . A A . 13 PRO N 1 1 4 824 1 1 13 PRO O O -0.643 -0.790 3.221 1.00 . A A . 13 PRO O 1 1 4 825 1 1 14 ASP C C -0.060 0.355 0.734 1.00 . A A . 14 ASP C 1 1 4 826 1 1 14 ASP CA C -0.479 1.493 1.659 1.00 . A A . 14 ASP CA 1 1 4 827 1 1 14 ASP CB C -0.051 2.836 1.063 1.00 . A A . 14 ASP CB 1 1 4 828 1 1 14 ASP CG C -0.221 2.881 -0.442 1.00 . A A . 14 ASP CG 1 1 4 829 1 1 14 ASP H H 0.594 2.064 3.393 1.00 . A A . 14 ASP H 1 1 4 830 1 1 14 ASP HA H -1.554 1.481 1.759 1.00 . A A . 14 ASP HA 1 1 4 831 1 1 14 ASP HB2 H -0.650 3.623 1.498 1.00 . A A . 14 ASP HB2 1 1 4 832 1 1 14 ASP HB3 H 0.989 3.010 1.296 1.00 . A A . 14 ASP HB3 1 1 4 833 1 1 14 ASP N N 0.097 1.322 2.988 1.00 . A A . 14 ASP N 1 1 4 834 1 1 14 ASP O O -0.900 -0.393 0.234 1.00 . A A . 14 ASP O 1 1 4 835 1 1 14 ASP OD1 O 0.774 2.643 -1.160 1.00 . A A . 14 ASP OD1 1 1 4 836 1 1 14 ASP OD2 O -1.348 3.155 -0.904 1.00 . A A . 14 ASP OD2 1 1 5 837 1 1 1 GLY C C 3.260 0.246 -0.528 1.00 . A A . 1 GLY C 1 1 5 838 1 1 1 GLY CA C 1.848 -0.288 -0.389 1.00 . A A . 1 GLY CA 1 1 5 839 1 1 1 GLY H1 H 1.388 1.284 0.953 1.00 . A A . 1 GLY H1 1 1 5 840 1 1 1 GLY HA2 H 1.884 -1.246 0.107 1.00 . A A . 1 GLY HA2 1 1 5 841 1 1 1 GLY HA3 H 1.427 -0.419 -1.375 1.00 . A A . 1 GLY HA3 1 1 5 842 1 1 1 GLY N N 0.990 0.602 0.372 1.00 . A A . 1 GLY N 1 1 5 843 1 1 1 GLY O O 4.218 -0.524 -0.595 1.00 . A A . 1 GLY O 1 1 5 844 1 1 2 ARG C C 5.664 1.683 0.348 1.00 . A A . 2 ARG C 1 1 5 845 1 1 2 ARG CA C 4.694 2.203 -0.708 1.00 . A A . 2 ARG CA 1 1 5 846 1 1 2 ARG CB C 4.560 3.723 -0.588 1.00 . A A . 2 ARG CB 1 1 5 847 1 1 2 ARG CD C 4.232 5.867 -1.857 1.00 . A A . 2 ARG CD 1 1 5 848 1 1 2 ARG CG C 4.810 4.461 -1.894 1.00 . A A . 2 ARG CG 1 1 5 849 1 1 2 ARG CZ C 6.196 7.318 -1.567 1.00 . A A . 2 ARG CZ 1 1 5 850 1 1 2 ARG H H 2.588 2.129 -0.515 1.00 . A A . 2 ARG H 1 1 5 851 1 1 2 ARG HA H 5.082 1.961 -1.686 1.00 . A A . 2 ARG HA 1 1 5 852 1 1 2 ARG HB2 H 3.561 3.959 -0.252 1.00 . A A . 2 ARG HB2 1 1 5 853 1 1 2 ARG HB3 H 5.271 4.078 0.142 1.00 . A A . 2 ARG HB3 1 1 5 854 1 1 2 ARG HD2 H 3.362 5.901 -2.496 1.00 . A A . 2 ARG HD2 1 1 5 855 1 1 2 ARG HD3 H 3.943 6.097 -0.843 1.00 . A A . 2 ARG HD3 1 1 5 856 1 1 2 ARG HE H 5.088 7.216 -3.223 1.00 . A A . 2 ARG HE 1 1 5 857 1 1 2 ARG HG2 H 5.874 4.525 -2.062 1.00 . A A . 2 ARG HG2 1 1 5 858 1 1 2 ARG HG3 H 4.348 3.912 -2.701 1.00 . A A . 2 ARG HG3 1 1 5 859 1 1 2 ARG HH11 H 5.738 6.177 0.035 1.00 . A A . 2 ARG HH11 1 1 5 860 1 1 2 ARG HH12 H 7.120 7.204 0.226 1.00 . A A . 2 ARG HH12 1 1 5 861 1 1 2 ARG HH21 H 6.906 8.573 -2.984 1.00 . A A . 2 ARG HH21 1 1 5 862 1 1 2 ARG HH22 H 7.783 8.567 -1.491 1.00 . A A . 2 ARG HH22 1 1 5 863 1 1 2 ARG N N 3.389 1.568 -0.573 1.00 . A A . 2 ARG N 1 1 5 864 1 1 2 ARG NE N 5.195 6.866 -2.315 1.00 . A A . 2 ARG NE 1 1 5 865 1 1 2 ARG NH1 N 6.365 6.863 -0.334 1.00 . A A . 2 ARG NH1 1 1 5 866 1 1 2 ARG NH2 N 7.030 8.227 -2.054 1.00 . A A . 2 ARG NH2 1 1 5 867 1 1 2 ARG O O 5.256 1.285 1.440 1.00 . A A . 2 ARG O 1 1 5 868 1 1 3 CYS C C 9.131 2.215 1.022 1.00 . A A . 3 CYS C 1 1 5 869 1 1 3 CYS CA C 7.980 1.216 0.935 1.00 . A A . 3 CYS CA 1 1 5 870 1 1 3 CYS CB C 8.508 -0.148 0.486 1.00 . A A . 3 CYS CB 1 1 5 871 1 1 3 CYS H H 7.216 2.018 -0.869 1.00 . A A . 3 CYS H 1 1 5 872 1 1 3 CYS HA H 7.533 1.116 1.912 1.00 . A A . 3 CYS HA 1 1 5 873 1 1 3 CYS HB2 H 7.788 -0.602 -0.180 1.00 . A A . 3 CYS HB2 1 1 5 874 1 1 3 CYS HB3 H 9.440 -0.009 -0.042 1.00 . A A . 3 CYS HB3 1 1 5 875 1 1 3 CYS N N 6.951 1.688 0.016 1.00 . A A . 3 CYS N 1 1 5 876 1 1 3 CYS O O 9.218 3.151 0.226 1.00 . A A . 3 CYS O 1 1 5 877 1 1 3 CYS SG S 8.811 -1.314 1.851 1.00 . A A . 3 CYS SG 1 1 5 878 1 1 4 THR C C 12.375 2.388 1.421 1.00 . A A . 4 THR C 1 1 5 879 1 1 4 THR CA C 11.157 2.891 2.188 1.00 . A A . 4 THR CA 1 1 5 880 1 1 4 THR CB C 11.522 3.021 3.679 1.00 . A A . 4 THR CB 1 1 5 881 1 1 4 THR CG2 C 10.391 3.675 4.458 1.00 . A A . 4 THR CG2 1 1 5 882 1 1 4 THR H H 9.889 1.247 2.598 1.00 . A A . 4 THR H 1 1 5 883 1 1 4 THR HA H 10.890 3.871 1.818 1.00 . A A . 4 THR HA 1 1 5 884 1 1 4 THR HB H 12.404 3.639 3.766 1.00 . A A . 4 THR HB 1 1 5 885 1 1 4 THR HG1 H 10.978 1.302 4.480 1.00 . A A . 4 THR HG1 1 1 5 886 1 1 4 THR HG21 H 9.956 4.466 3.865 1.00 . A A . 4 THR HG21 1 1 5 887 1 1 4 THR HG22 H 10.778 4.086 5.379 1.00 . A A . 4 THR HG22 1 1 5 888 1 1 4 THR HG23 H 9.635 2.937 4.683 1.00 . A A . 4 THR HG23 1 1 5 889 1 1 4 THR N N 10.013 2.010 1.996 1.00 . A A . 4 THR N 1 1 5 890 1 1 4 THR O O 12.683 1.197 1.442 1.00 . A A . 4 THR O 1 1 5 891 1 1 4 THR OG1 O 11.801 1.728 4.229 1.00 . A A . 4 THR OG1 1 1 5 892 1 1 5 GLN C C 15.440 2.695 0.888 1.00 . A A . 5 GLN C 1 1 5 893 1 1 5 GLN CA C 14.247 2.950 -0.028 1.00 . A A . 5 GLN CA 1 1 5 894 1 1 5 GLN CB C 14.581 4.062 -1.024 1.00 . A A . 5 GLN CB 1 1 5 895 1 1 5 GLN CD C 13.740 5.618 -2.828 1.00 . A A . 5 GLN CD 1 1 5 896 1 1 5 GLN CG C 13.412 4.455 -1.912 1.00 . A A . 5 GLN CG 1 1 5 897 1 1 5 GLN H H 12.767 4.236 0.769 1.00 . A A . 5 GLN H 1 1 5 898 1 1 5 GLN HA H 14.028 2.044 -0.573 1.00 . A A . 5 GLN HA 1 1 5 899 1 1 5 GLN HB2 H 14.900 4.936 -0.476 1.00 . A A . 5 GLN HB2 1 1 5 900 1 1 5 GLN HB3 H 15.390 3.729 -1.658 1.00 . A A . 5 GLN HB3 1 1 5 901 1 1 5 GLN HE21 H 14.306 4.361 -4.260 1.00 . A A . 5 GLN HE21 1 1 5 902 1 1 5 GLN HE22 H 14.423 6.040 -4.646 1.00 . A A . 5 GLN HE22 1 1 5 903 1 1 5 GLN HG2 H 13.135 3.606 -2.519 1.00 . A A . 5 GLN HG2 1 1 5 904 1 1 5 GLN HG3 H 12.578 4.734 -1.284 1.00 . A A . 5 GLN HG3 1 1 5 905 1 1 5 GLN N N 13.063 3.303 0.746 1.00 . A A . 5 GLN N 1 1 5 906 1 1 5 GLN NE2 N 14.204 5.309 -4.033 1.00 . A A . 5 GLN NE2 1 1 5 907 1 1 5 GLN O O 16.208 1.757 0.677 1.00 . A A . 5 GLN O 1 1 5 908 1 1 5 GLN OE1 O 13.578 6.780 -2.457 1.00 . A A . 5 GLN OE1 1 1 5 909 1 1 6 ALA C C 16.240 2.662 4.109 1.00 . A A . 6 ALA C 1 1 5 910 1 1 6 ALA CA C 16.687 3.403 2.854 1.00 . A A . 6 ALA CA 1 1 5 911 1 1 6 ALA CB C 17.243 4.772 3.216 1.00 . A A . 6 ALA CB 1 1 5 912 1 1 6 ALA H H 14.944 4.266 2.021 1.00 . A A . 6 ALA H 1 1 5 913 1 1 6 ALA HA H 17.474 2.838 2.375 1.00 . A A . 6 ALA HA 1 1 5 914 1 1 6 ALA HB1 H 16.947 5.490 2.465 1.00 . A A . 6 ALA HB1 1 1 5 915 1 1 6 ALA HB2 H 16.854 5.075 4.177 1.00 . A A . 6 ALA HB2 1 1 5 916 1 1 6 ALA HB3 H 18.320 4.723 3.262 1.00 . A A . 6 ALA HB3 1 1 5 917 1 1 6 ALA N N 15.589 3.538 1.905 1.00 . A A . 6 ALA N 1 1 5 918 1 1 6 ALA O O 15.062 2.342 4.266 1.00 . A A . 6 ALA O 1 1 5 919 1 1 7 TRP C C 16.438 2.660 7.324 1.00 . A A . 7 TRP C 1 1 5 920 1 1 7 TRP CA C 16.891 1.687 6.242 1.00 . A A . 7 TRP CA 1 1 5 921 1 1 7 TRP CB C 18.120 0.911 6.718 1.00 . A A . 7 TRP CB 1 1 5 922 1 1 7 TRP CD1 C 17.504 -1.096 5.249 1.00 . A A . 7 TRP CD1 1 1 5 923 1 1 7 TRP CD2 C 18.641 -1.628 7.104 1.00 . A A . 7 TRP CD2 1 1 5 924 1 1 7 TRP CE2 C 18.366 -2.811 6.391 1.00 . A A . 7 TRP CE2 1 1 5 925 1 1 7 TRP CE3 C 19.348 -1.714 8.306 1.00 . A A . 7 TRP CE3 1 1 5 926 1 1 7 TRP CG C 18.081 -0.543 6.356 1.00 . A A . 7 TRP CG 1 1 5 927 1 1 7 TRP CH2 C 19.466 -4.119 8.022 1.00 . A A . 7 TRP CH2 1 1 5 928 1 1 7 TRP CZ2 C 18.774 -4.063 6.842 1.00 . A A . 7 TRP CZ2 1 1 5 929 1 1 7 TRP CZ3 C 19.753 -2.958 8.752 1.00 . A A . 7 TRP CZ3 1 1 5 930 1 1 7 TRP H H 18.109 2.673 4.818 1.00 . A A . 7 TRP H 1 1 5 931 1 1 7 TRP HA H 16.090 0.990 6.043 1.00 . A A . 7 TRP HA 1 1 5 932 1 1 7 TRP HB2 H 19.004 1.342 6.274 1.00 . A A . 7 TRP HB2 1 1 5 933 1 1 7 TRP HB3 H 18.188 0.986 7.794 1.00 . A A . 7 TRP HB3 1 1 5 934 1 1 7 TRP HD1 H 16.993 -0.533 4.483 1.00 . A A . 7 TRP HD1 1 1 5 935 1 1 7 TRP HE1 H 17.347 -3.081 4.577 1.00 . A A . 7 TRP HE1 1 1 5 936 1 1 7 TRP HE3 H 19.579 -0.831 8.883 1.00 . A A . 7 TRP HE3 1 1 5 937 1 1 7 TRP HH2 H 19.800 -5.069 8.408 1.00 . A A . 7 TRP HH2 1 1 5 938 1 1 7 TRP HZ2 H 18.561 -4.967 6.290 1.00 . A A . 7 TRP HZ2 1 1 5 939 1 1 7 TRP HZ3 H 20.300 -3.045 9.679 1.00 . A A . 7 TRP HZ3 1 1 5 940 1 1 7 TRP N N 17.188 2.392 5.000 1.00 . A A . 7 TRP N 1 1 5 941 1 1 7 TRP NE1 N 17.671 -2.460 5.264 1.00 . A A . 7 TRP NE1 1 1 5 942 1 1 7 TRP O O 16.670 3.867 7.245 1.00 . A A . 7 TRP O 1 1 5 943 1 1 8 PRO C C 14.462 0.228 7.444 1.00 . A A . 8 PRO C 1 1 5 944 1 1 8 PRO CA C 15.493 0.692 8.467 1.00 . A A . 8 PRO CA 1 1 5 945 1 1 8 PRO CB C 14.942 0.543 9.887 1.00 . A A . 8 PRO CB 1 1 5 946 1 1 8 PRO CD C 15.252 2.883 9.512 1.00 . A A . 8 PRO CD 1 1 5 947 1 1 8 PRO CG C 14.380 1.882 10.219 1.00 . A A . 8 PRO CG 1 1 5 948 1 1 8 PRO HA H 16.392 0.102 8.364 1.00 . A A . 8 PRO HA 1 1 5 949 1 1 8 PRO HB2 H 14.178 -0.222 9.901 1.00 . A A . 8 PRO HB2 1 1 5 950 1 1 8 PRO HB3 H 15.741 0.272 10.561 1.00 . A A . 8 PRO HB3 1 1 5 951 1 1 8 PRO HD2 H 14.665 3.728 9.183 1.00 . A A . 8 PRO HD2 1 1 5 952 1 1 8 PRO HD3 H 16.054 3.207 10.157 1.00 . A A . 8 PRO HD3 1 1 5 953 1 1 8 PRO HG2 H 13.364 1.952 9.863 1.00 . A A . 8 PRO HG2 1 1 5 954 1 1 8 PRO HG3 H 14.418 2.041 11.286 1.00 . A A . 8 PRO HG3 1 1 5 955 1 1 8 PRO N N 15.776 2.127 8.362 1.00 . A A . 8 PRO N 1 1 5 956 1 1 8 PRO O O 13.791 1.031 6.795 1.00 . A A . 8 PRO O 1 1 5 957 1 1 9 PRO C C 11.932 -1.505 6.787 1.00 . A A . 9 PRO C 1 1 5 958 1 1 9 PRO CA C 13.381 -1.699 6.353 1.00 . A A . 9 PRO CA 1 1 5 959 1 1 9 PRO CB C 13.752 -3.184 6.376 1.00 . A A . 9 PRO CB 1 1 5 960 1 1 9 PRO CD C 15.097 -2.114 8.037 1.00 . A A . 9 PRO CD 1 1 5 961 1 1 9 PRO CG C 14.385 -3.397 7.707 1.00 . A A . 9 PRO CG 1 1 5 962 1 1 9 PRO HA H 13.513 -1.309 5.355 1.00 . A A . 9 PRO HA 1 1 5 963 1 1 9 PRO HB2 H 12.858 -3.782 6.262 1.00 . A A . 9 PRO HB2 1 1 5 964 1 1 9 PRO HB3 H 14.440 -3.399 5.572 1.00 . A A . 9 PRO HB3 1 1 5 965 1 1 9 PRO HD2 H 15.061 -1.925 9.099 1.00 . A A . 9 PRO HD2 1 1 5 966 1 1 9 PRO HD3 H 16.120 -2.151 7.692 1.00 . A A . 9 PRO HD3 1 1 5 967 1 1 9 PRO HG2 H 13.626 -3.605 8.446 1.00 . A A . 9 PRO HG2 1 1 5 968 1 1 9 PRO HG3 H 15.091 -4.213 7.651 1.00 . A A . 9 PRO HG3 1 1 5 969 1 1 9 PRO N N 14.330 -1.099 7.296 1.00 . A A . 9 PRO N 1 1 5 970 1 1 9 PRO O O 11.352 -2.366 7.450 1.00 . A A . 9 PRO O 1 1 5 971 1 1 10 ILE C C 9.076 -0.083 5.523 1.00 . A A . 10 ILE C 1 1 5 972 1 1 10 ILE CA C 9.971 -0.066 6.757 1.00 . A A . 10 ILE CA 1 1 5 973 1 1 10 ILE CB C 9.854 1.308 7.444 1.00 . A A . 10 ILE CB 1 1 5 974 1 1 10 ILE CD1 C 10.776 2.725 9.347 1.00 . A A . 10 ILE CD1 1 1 5 975 1 1 10 ILE CG1 C 10.813 1.392 8.633 1.00 . A A . 10 ILE CG1 1 1 5 976 1 1 10 ILE CG2 C 8.422 1.556 7.892 1.00 . A A . 10 ILE CG2 1 1 5 977 1 1 10 ILE H H 11.867 0.276 5.882 1.00 . A A . 10 ILE H 1 1 5 978 1 1 10 ILE HA H 9.628 -0.822 7.449 1.00 . A A . 10 ILE HA 1 1 5 979 1 1 10 ILE HB H 10.117 2.069 6.724 1.00 . A A . 10 ILE HB 1 1 5 980 1 1 10 ILE HD11 H 11.505 2.728 10.143 1.00 . A A . 10 ILE HD11 1 1 5 981 1 1 10 ILE HD12 H 11.002 3.515 8.647 1.00 . A A . 10 ILE HD12 1 1 5 982 1 1 10 ILE HD13 H 9.790 2.883 9.762 1.00 . A A . 10 ILE HD13 1 1 5 983 1 1 10 ILE HG12 H 10.557 0.626 9.348 1.00 . A A . 10 ILE HG12 1 1 5 984 1 1 10 ILE HG13 H 11.822 1.229 8.284 1.00 . A A . 10 ILE HG13 1 1 5 985 1 1 10 ILE HG21 H 8.364 2.505 8.404 1.00 . A A . 10 ILE HG21 1 1 5 986 1 1 10 ILE HG22 H 7.773 1.572 7.030 1.00 . A A . 10 ILE HG22 1 1 5 987 1 1 10 ILE HG23 H 8.112 0.767 8.561 1.00 . A A . 10 ILE HG23 1 1 5 988 1 1 10 ILE N N 11.353 -0.371 6.409 1.00 . A A . 10 ILE N 1 1 5 989 1 1 10 ILE O O 9.509 0.266 4.424 1.00 . A A . 10 ILE O 1 1 5 990 1 1 11 CYS C C 5.482 -0.108 5.077 1.00 . A A . 11 CYS C 1 1 5 991 1 1 11 CYS CA C 6.867 -0.551 4.615 1.00 . A A . 11 CYS CA 1 1 5 992 1 1 11 CYS CB C 6.798 -1.970 4.049 1.00 . A A . 11 CYS CB 1 1 5 993 1 1 11 CYS H H 7.539 -0.754 6.611 1.00 . A A . 11 CYS H 1 1 5 994 1 1 11 CYS HA H 7.206 0.120 3.840 1.00 . A A . 11 CYS HA 1 1 5 995 1 1 11 CYS HB2 H 7.598 -2.559 4.475 1.00 . A A . 11 CYS HB2 1 1 5 996 1 1 11 CYS HB3 H 5.850 -2.412 4.319 1.00 . A A . 11 CYS HB3 1 1 5 997 1 1 11 CYS N N 7.825 -0.489 5.712 1.00 . A A . 11 CYS N 1 1 5 998 1 1 11 CYS O O 4.989 -0.553 6.113 1.00 . A A . 11 CYS O 1 1 5 999 1 1 11 CYS SG S 6.954 -2.057 2.236 1.00 . A A . 11 CYS SG 1 1 5 1000 1 1 12 PHE C C 2.454 0.266 4.245 1.00 . A A . 12 PHE C 1 1 5 1001 1 1 12 PHE CA C 3.530 1.277 4.630 1.00 . A A . 12 PHE CA 1 1 5 1002 1 1 12 PHE CB C 3.275 2.607 3.917 1.00 . A A . 12 PHE CB 1 1 5 1003 1 1 12 PHE CD1 C 2.613 4.633 5.241 1.00 . A A . 12 PHE CD1 1 1 5 1004 1 1 12 PHE CD2 C 4.932 4.115 5.047 1.00 . A A . 12 PHE CD2 1 1 5 1005 1 1 12 PHE CE1 C 2.921 5.739 6.010 1.00 . A A . 12 PHE CE1 1 1 5 1006 1 1 12 PHE CE2 C 5.246 5.219 5.816 1.00 . A A . 12 PHE CE2 1 1 5 1007 1 1 12 PHE CG C 3.614 3.808 4.752 1.00 . A A . 12 PHE CG 1 1 5 1008 1 1 12 PHE CZ C 4.239 6.034 6.297 1.00 . A A . 12 PHE CZ 1 1 5 1009 1 1 12 PHE H H 5.303 1.091 3.486 1.00 . A A . 12 PHE H 1 1 5 1010 1 1 12 PHE HA H 3.493 1.437 5.696 1.00 . A A . 12 PHE HA 1 1 5 1011 1 1 12 PHE HB2 H 3.875 2.647 3.020 1.00 . A A . 12 PHE HB2 1 1 5 1012 1 1 12 PHE HB3 H 2.231 2.669 3.650 1.00 . A A . 12 PHE HB3 1 1 5 1013 1 1 12 PHE HD1 H 1.580 4.403 5.017 1.00 . A A . 12 PHE HD1 1 1 5 1014 1 1 12 PHE HD2 H 5.721 3.480 4.671 1.00 . A A . 12 PHE HD2 1 1 5 1015 1 1 12 PHE HE1 H 2.131 6.373 6.384 1.00 . A A . 12 PHE HE1 1 1 5 1016 1 1 12 PHE HE2 H 6.278 5.448 6.038 1.00 . A A . 12 PHE HE2 1 1 5 1017 1 1 12 PHE HZ H 4.482 6.897 6.898 1.00 . A A . 12 PHE HZ 1 1 5 1018 1 1 12 PHE N N 4.858 0.772 4.300 1.00 . A A . 12 PHE N 1 1 5 1019 1 1 12 PHE O O 2.672 -0.632 3.431 1.00 . A A . 12 PHE O 1 1 5 1020 1 1 13 PRO C C -0.443 -0.287 3.179 1.00 . A A . 13 PRO C 1 1 5 1021 1 1 13 PRO CA C 0.128 -0.476 4.580 1.00 . A A . 13 PRO CA 1 1 5 1022 1 1 13 PRO CB C -0.899 -0.063 5.637 1.00 . A A . 13 PRO CB 1 1 5 1023 1 1 13 PRO CD C 0.932 1.461 5.824 1.00 . A A . 13 PRO CD 1 1 5 1024 1 1 13 PRO CG C -0.561 1.350 5.962 1.00 . A A . 13 PRO CG 1 1 5 1025 1 1 13 PRO HA H 0.396 -1.513 4.722 1.00 . A A . 13 PRO HA 1 1 5 1026 1 1 13 PRO HB2 H -1.895 -0.148 5.226 1.00 . A A . 13 PRO HB2 1 1 5 1027 1 1 13 PRO HB3 H -0.806 -0.701 6.504 1.00 . A A . 13 PRO HB3 1 1 5 1028 1 1 13 PRO HD2 H 1.205 2.438 5.453 1.00 . A A . 13 PRO HD2 1 1 5 1029 1 1 13 PRO HD3 H 1.414 1.268 6.772 1.00 . A A . 13 PRO HD3 1 1 5 1030 1 1 13 PRO HG2 H -1.052 2.015 5.268 1.00 . A A . 13 PRO HG2 1 1 5 1031 1 1 13 PRO HG3 H -0.861 1.576 6.975 1.00 . A A . 13 PRO HG3 1 1 5 1032 1 1 13 PRO N N 1.263 0.414 4.844 1.00 . A A . 13 PRO N 1 1 5 1033 1 1 13 PRO O O -0.771 -1.258 2.497 1.00 . A A . 13 PRO O 1 1 5 1034 1 1 14 ASP C C -0.351 0.502 0.353 1.00 . A A . 14 ASP C 1 1 5 1035 1 1 14 ASP CA C -1.090 1.282 1.436 1.00 . A A . 14 ASP CA 1 1 5 1036 1 1 14 ASP CB C -0.981 2.784 1.164 1.00 . A A . 14 ASP CB 1 1 5 1037 1 1 14 ASP CG C 0.331 3.367 1.651 1.00 . A A . 14 ASP CG 1 1 5 1038 1 1 14 ASP H H -0.280 1.698 3.347 1.00 . A A . 14 ASP H 1 1 5 1039 1 1 14 ASP HA H -2.131 0.998 1.420 1.00 . A A . 14 ASP HA 1 1 5 1040 1 1 14 ASP HB2 H -1.058 2.957 0.101 1.00 . A A . 14 ASP HB2 1 1 5 1041 1 1 14 ASP HB3 H -1.790 3.293 1.668 1.00 . A A . 14 ASP HB3 1 1 5 1042 1 1 14 ASP N N -0.559 0.967 2.757 1.00 . A A . 14 ASP N 1 1 5 1043 1 1 14 ASP O O -0.953 0.055 -0.624 1.00 . A A . 14 ASP O 1 1 5 1044 1 1 14 ASP OD1 O 1.333 3.273 0.912 1.00 . A A . 14 ASP OD1 1 1 5 1045 1 1 14 ASP OD2 O 0.356 3.917 2.772 1.00 . A A . 14 ASP OD2 1 1 6 1046 1 1 1 GLY C C 3.083 0.231 -0.411 1.00 . A A . 1 GLY C 1 1 6 1047 1 1 1 GLY CA C 1.666 -0.269 -0.207 1.00 . A A . 1 GLY CA 1 1 6 1048 1 1 1 GLY H1 H 1.287 1.326 1.134 1.00 . A A . 1 GLY H1 1 1 6 1049 1 1 1 GLY HA2 H 1.701 -1.215 0.312 1.00 . A A . 1 GLY HA2 1 1 6 1050 1 1 1 GLY HA3 H 1.207 -0.417 -1.173 1.00 . A A . 1 GLY HA3 1 1 6 1051 1 1 1 GLY N N 0.855 0.658 0.561 1.00 . A A . 1 GLY N 1 1 6 1052 1 1 1 GLY O O 4.022 -0.560 -0.492 1.00 . A A . 1 GLY O 1 1 6 1053 1 1 2 ARG C C 5.503 1.763 0.431 1.00 . A A . 2 ARG C 1 1 6 1054 1 1 2 ARG CA C 4.548 2.153 -0.694 1.00 . A A . 2 ARG CA 1 1 6 1055 1 1 2 ARG CB C 4.426 3.676 -0.768 1.00 . A A . 2 ARG CB 1 1 6 1056 1 1 2 ARG CD C 4.742 3.922 -3.249 1.00 . A A . 2 ARG CD 1 1 6 1057 1 1 2 ARG CG C 3.818 4.176 -2.068 1.00 . A A . 2 ARG CG 1 1 6 1058 1 1 2 ARG CZ C 6.153 5.935 -3.272 1.00 . A A . 2 ARG CZ 1 1 6 1059 1 1 2 ARG H H 2.450 2.128 -0.423 1.00 . A A . 2 ARG H 1 1 6 1060 1 1 2 ARG HA H 4.944 1.787 -1.629 1.00 . A A . 2 ARG HA 1 1 6 1061 1 1 2 ARG HB2 H 3.804 4.016 0.048 1.00 . A A . 2 ARG HB2 1 1 6 1062 1 1 2 ARG HB3 H 5.409 4.110 -0.665 1.00 . A A . 2 ARG HB3 1 1 6 1063 1 1 2 ARG HD2 H 4.933 2.862 -3.318 1.00 . A A . 2 ARG HD2 1 1 6 1064 1 1 2 ARG HD3 H 4.253 4.259 -4.150 1.00 . A A . 2 ARG HD3 1 1 6 1065 1 1 2 ARG HE H 6.805 4.091 -2.881 1.00 . A A . 2 ARG HE 1 1 6 1066 1 1 2 ARG HG2 H 2.884 3.661 -2.240 1.00 . A A . 2 ARG HG2 1 1 6 1067 1 1 2 ARG HG3 H 3.637 5.237 -1.985 1.00 . A A . 2 ARG HG3 1 1 6 1068 1 1 2 ARG HH11 H 4.203 6.259 -3.688 1.00 . A A . 2 ARG HH11 1 1 6 1069 1 1 2 ARG HH12 H 5.208 7.670 -3.701 1.00 . A A . 2 ARG HH12 1 1 6 1070 1 1 2 ARG HH21 H 8.139 5.941 -2.895 1.00 . A A . 2 ARG HH21 1 1 6 1071 1 1 2 ARG HH22 H 7.447 7.488 -3.250 1.00 . A A . 2 ARG HH22 1 1 6 1072 1 1 2 ARG N N 3.237 1.549 -0.495 1.00 . A A . 2 ARG N 1 1 6 1073 1 1 2 ARG NE N 6.015 4.624 -3.108 1.00 . A A . 2 ARG NE 1 1 6 1074 1 1 2 ARG NH1 N 5.102 6.683 -3.579 1.00 . A A . 2 ARG NH1 1 1 6 1075 1 1 2 ARG NH2 N 7.344 6.502 -3.127 1.00 . A A . 2 ARG NH2 1 1 6 1076 1 1 2 ARG O O 5.083 1.539 1.566 1.00 . A A . 2 ARG O 1 1 6 1077 1 1 3 CYS C C 8.872 2.404 1.194 1.00 . A A . 3 CYS C 1 1 6 1078 1 1 3 CYS CA C 7.804 1.319 1.088 1.00 . A A . 3 CYS CA 1 1 6 1079 1 1 3 CYS CB C 8.452 -0.015 0.712 1.00 . A A . 3 CYS CB 1 1 6 1080 1 1 3 CYS H H 7.063 1.874 -0.815 1.00 . A A . 3 CYS H 1 1 6 1081 1 1 3 CYS HA H 7.318 1.216 2.046 1.00 . A A . 3 CYS HA 1 1 6 1082 1 1 3 CYS HB2 H 8.667 -0.016 -0.347 1.00 . A A . 3 CYS HB2 1 1 6 1083 1 1 3 CYS HB3 H 9.375 -0.125 1.262 1.00 . A A . 3 CYS HB3 1 1 6 1084 1 1 3 CYS N N 6.789 1.683 0.107 1.00 . A A . 3 CYS N 1 1 6 1085 1 1 3 CYS O O 8.895 3.349 0.404 1.00 . A A . 3 CYS O 1 1 6 1086 1 1 3 CYS SG S 7.416 -1.470 1.067 1.00 . A A . 3 CYS SG 1 1 6 1087 1 1 4 THR C C 12.002 2.960 1.452 1.00 . A A . 4 THR C 1 1 6 1088 1 1 4 THR CA C 10.828 3.229 2.386 1.00 . A A . 4 THR CA 1 1 6 1089 1 1 4 THR CB C 11.328 3.204 3.842 1.00 . A A . 4 THR CB 1 1 6 1090 1 1 4 THR CG2 C 10.369 3.951 4.757 1.00 . A A . 4 THR CG2 1 1 6 1091 1 1 4 THR H H 9.687 1.488 2.772 1.00 . A A . 4 THR H 1 1 6 1092 1 1 4 THR HA H 10.433 4.213 2.179 1.00 . A A . 4 THR HA 1 1 6 1093 1 1 4 THR HB H 12.293 3.690 3.884 1.00 . A A . 4 THR HB 1 1 6 1094 1 1 4 THR HG1 H 11.853 1.320 3.590 1.00 . A A . 4 THR HG1 1 1 6 1095 1 1 4 THR HG21 H 10.826 4.086 5.726 1.00 . A A . 4 THR HG21 1 1 6 1096 1 1 4 THR HG22 H 9.458 3.381 4.865 1.00 . A A . 4 THR HG22 1 1 6 1097 1 1 4 THR HG23 H 10.141 4.915 4.329 1.00 . A A . 4 THR HG23 1 1 6 1098 1 1 4 THR N N 9.758 2.262 2.176 1.00 . A A . 4 THR N 1 1 6 1099 1 1 4 THR O O 11.991 1.995 0.688 1.00 . A A . 4 THR O 1 1 6 1100 1 1 4 THR OG1 O 11.467 1.851 4.290 1.00 . A A . 4 THR OG1 1 1 6 1101 1 1 5 GLN C C 15.397 3.217 1.503 1.00 . A A . 5 GLN C 1 1 6 1102 1 1 5 GLN CA C 14.197 3.674 0.679 1.00 . A A . 5 GLN CA 1 1 6 1103 1 1 5 GLN CB C 14.517 4.995 -0.021 1.00 . A A . 5 GLN CB 1 1 6 1104 1 1 5 GLN CD C 13.827 6.607 -1.840 1.00 . A A . 5 GLN CD 1 1 6 1105 1 1 5 GLN CG C 13.381 5.516 -0.887 1.00 . A A . 5 GLN CG 1 1 6 1106 1 1 5 GLN H H 12.964 4.568 2.149 1.00 . A A . 5 GLN H 1 1 6 1107 1 1 5 GLN HA H 13.982 2.924 -0.067 1.00 . A A . 5 GLN HA 1 1 6 1108 1 1 5 GLN HB2 H 14.741 5.741 0.728 1.00 . A A . 5 GLN HB2 1 1 6 1109 1 1 5 GLN HB3 H 15.384 4.855 -0.649 1.00 . A A . 5 GLN HB3 1 1 6 1110 1 1 5 GLN HE21 H 12.748 5.802 -3.304 1.00 . A A . 5 GLN HE21 1 1 6 1111 1 1 5 GLN HE22 H 13.623 7.234 -3.715 1.00 . A A . 5 GLN HE22 1 1 6 1112 1 1 5 GLN HG2 H 12.981 4.696 -1.465 1.00 . A A . 5 GLN HG2 1 1 6 1113 1 1 5 GLN HG3 H 12.609 5.912 -0.244 1.00 . A A . 5 GLN HG3 1 1 6 1114 1 1 5 GLN N N 13.014 3.819 1.520 1.00 . A A . 5 GLN N 1 1 6 1115 1 1 5 GLN NE2 N 13.353 6.541 -3.079 1.00 . A A . 5 GLN NE2 1 1 6 1116 1 1 5 GLN O O 15.920 2.122 1.300 1.00 . A A . 5 GLN O 1 1 6 1117 1 1 5 GLN OE1 O 14.589 7.499 -1.468 1.00 . A A . 5 GLN OE1 1 1 6 1118 1 1 6 ALA C C 16.515 3.034 4.557 1.00 . A A . 6 ALA C 1 1 6 1119 1 1 6 ALA CA C 16.965 3.747 3.286 1.00 . A A . 6 ALA CA 1 1 6 1120 1 1 6 ALA CB C 17.733 5.013 3.634 1.00 . A A . 6 ALA CB 1 1 6 1121 1 1 6 ALA H H 15.369 4.923 2.545 1.00 . A A . 6 ALA H 1 1 6 1122 1 1 6 ALA HA H 17.626 3.094 2.734 1.00 . A A . 6 ALA HA 1 1 6 1123 1 1 6 ALA HB1 H 17.077 5.867 3.546 1.00 . A A . 6 ALA HB1 1 1 6 1124 1 1 6 ALA HB2 H 18.101 4.944 4.647 1.00 . A A . 6 ALA HB2 1 1 6 1125 1 1 6 ALA HB3 H 18.565 5.127 2.955 1.00 . A A . 6 ALA HB3 1 1 6 1126 1 1 6 ALA N N 15.828 4.064 2.431 1.00 . A A . 6 ALA N 1 1 6 1127 1 1 6 ALA O O 15.409 3.259 5.047 1.00 . A A . 6 ALA O 1 1 6 1128 1 1 7 TRP C C 16.695 2.367 7.436 1.00 . A A . 7 TRP C 1 1 6 1129 1 1 7 TRP CA C 17.067 1.425 6.297 1.00 . A A . 7 TRP CA 1 1 6 1130 1 1 7 TRP CB C 18.259 0.557 6.704 1.00 . A A . 7 TRP CB 1 1 6 1131 1 1 7 TRP CD1 C 17.585 -1.236 5.002 1.00 . A A . 7 TRP CD1 1 1 6 1132 1 1 7 TRP CD2 C 18.753 -2.016 6.747 1.00 . A A . 7 TRP CD2 1 1 6 1133 1 1 7 TRP CE2 C 18.447 -3.094 5.893 1.00 . A A . 7 TRP CE2 1 1 6 1134 1 1 7 TRP CE3 C 19.484 -2.265 7.911 1.00 . A A . 7 TRP CE3 1 1 6 1135 1 1 7 TRP CG C 18.193 -0.837 6.158 1.00 . A A . 7 TRP CG 1 1 6 1136 1 1 7 TRP CH2 C 19.562 -4.614 7.316 1.00 . A A . 7 TRP CH2 1 1 6 1137 1 1 7 TRP CZ2 C 18.847 -4.398 6.169 1.00 . A A . 7 TRP CZ2 1 1 6 1138 1 1 7 TRP CZ3 C 19.880 -3.561 8.184 1.00 . A A . 7 TRP CZ3 1 1 6 1139 1 1 7 TRP H H 18.244 2.035 4.646 1.00 . A A . 7 TRP H 1 1 6 1140 1 1 7 TRP HA H 16.223 0.785 6.084 1.00 . A A . 7 TRP HA 1 1 6 1141 1 1 7 TRP HB2 H 19.169 1.013 6.344 1.00 . A A . 7 TRP HB2 1 1 6 1142 1 1 7 TRP HB3 H 18.295 0.492 7.782 1.00 . A A . 7 TRP HB3 1 1 6 1143 1 1 7 TRP HD1 H 17.066 -0.573 4.327 1.00 . A A . 7 TRP HD1 1 1 6 1144 1 1 7 TRP HE1 H 17.387 -3.115 4.083 1.00 . A A . 7 TRP HE1 1 1 6 1145 1 1 7 TRP HE3 H 19.739 -1.467 8.593 1.00 . A A . 7 TRP HE3 1 1 6 1146 1 1 7 TRP HH2 H 19.892 -5.610 7.569 1.00 . A A . 7 TRP HH2 1 1 6 1147 1 1 7 TRP HZ2 H 18.611 -5.221 5.510 1.00 . A A . 7 TRP HZ2 1 1 6 1148 1 1 7 TRP HZ3 H 20.446 -3.773 9.080 1.00 . A A . 7 TRP HZ3 1 1 6 1149 1 1 7 TRP N N 17.377 2.172 5.083 1.00 . A A . 7 TRP N 1 1 6 1150 1 1 7 TRP NE1 N 17.734 -2.592 4.836 1.00 . A A . 7 TRP NE1 1 1 6 1151 1 1 7 TRP O O 17.000 3.560 7.411 1.00 . A A . 7 TRP O 1 1 6 1152 1 1 8 PRO C C 14.576 0.056 7.478 1.00 . A A . 8 PRO C 1 1 6 1153 1 1 8 PRO CA C 15.653 0.404 8.500 1.00 . A A . 8 PRO CA 1 1 6 1154 1 1 8 PRO CB C 15.120 0.216 9.923 1.00 . A A . 8 PRO CB 1 1 6 1155 1 1 8 PRO CD C 15.567 2.550 9.657 1.00 . A A . 8 PRO CD 1 1 6 1156 1 1 8 PRO CG C 14.649 1.569 10.333 1.00 . A A . 8 PRO CG 1 1 6 1157 1 1 8 PRO HA H 16.511 -0.233 8.348 1.00 . A A . 8 PRO HA 1 1 6 1158 1 1 8 PRO HB2 H 14.311 -0.500 9.915 1.00 . A A . 8 PRO HB2 1 1 6 1159 1 1 8 PRO HB3 H 15.914 -0.136 10.564 1.00 . A A . 8 PRO HB3 1 1 6 1160 1 1 8 PRO HD2 H 15.027 3.444 9.383 1.00 . A A . 8 PRO HD2 1 1 6 1161 1 1 8 PRO HD3 H 16.400 2.791 10.300 1.00 . A A . 8 PRO HD3 1 1 6 1162 1 1 8 PRO HG2 H 13.632 1.718 10.003 1.00 . A A . 8 PRO HG2 1 1 6 1163 1 1 8 PRO HG3 H 14.716 1.671 11.406 1.00 . A A . 8 PRO HG3 1 1 6 1164 1 1 8 PRO N N 16.021 1.823 8.460 1.00 . A A . 8 PRO N 1 1 6 1165 1 1 8 PRO O O 13.944 0.930 6.884 1.00 . A A . 8 PRO O 1 1 6 1166 1 1 9 PRO C C 11.932 -1.484 6.791 1.00 . A A . 9 PRO C 1 1 6 1167 1 1 9 PRO CA C 13.358 -1.744 6.317 1.00 . A A . 9 PRO CA 1 1 6 1168 1 1 9 PRO CB C 13.635 -3.248 6.258 1.00 . A A . 9 PRO CB 1 1 6 1169 1 1 9 PRO CD C 15.075 -2.347 7.940 1.00 . A A . 9 PRO CD 1 1 6 1170 1 1 9 PRO CG C 14.279 -3.566 7.564 1.00 . A A . 9 PRO CG 1 1 6 1171 1 1 9 PRO HA H 13.494 -1.312 5.337 1.00 . A A . 9 PRO HA 1 1 6 1172 1 1 9 PRO HB2 H 12.705 -3.784 6.135 1.00 . A A . 9 PRO HB2 1 1 6 1173 1 1 9 PRO HB3 H 14.294 -3.464 5.430 1.00 . A A . 9 PRO HB3 1 1 6 1174 1 1 9 PRO HD2 H 15.071 -2.210 9.012 1.00 . A A . 9 PRO HD2 1 1 6 1175 1 1 9 PRO HD3 H 16.087 -2.429 7.573 1.00 . A A . 9 PRO HD3 1 1 6 1176 1 1 9 PRO HG2 H 13.523 -3.765 8.307 1.00 . A A . 9 PRO HG2 1 1 6 1177 1 1 9 PRO HG3 H 14.931 -4.420 7.452 1.00 . A A . 9 PRO HG3 1 1 6 1178 1 1 9 PRO N N 14.359 -1.251 7.267 1.00 . A A . 9 PRO N 1 1 6 1179 1 1 9 PRO O O 11.383 -2.247 7.586 1.00 . A A . 9 PRO O 1 1 6 1180 1 1 10 ILE C C 9.049 -0.069 5.459 1.00 . A A . 10 ILE C 1 1 6 1181 1 1 10 ILE CA C 9.975 -0.044 6.670 1.00 . A A . 10 ILE CA 1 1 6 1182 1 1 10 ILE CB C 9.917 1.352 7.318 1.00 . A A . 10 ILE CB 1 1 6 1183 1 1 10 ILE CD1 C 11.036 2.847 9.047 1.00 . A A . 10 ILE CD1 1 1 6 1184 1 1 10 ILE CG1 C 10.981 1.476 8.410 1.00 . A A . 10 ILE CG1 1 1 6 1185 1 1 10 ILE CG2 C 8.531 1.615 7.889 1.00 . A A . 10 ILE CG2 1 1 6 1186 1 1 10 ILE H H 11.826 0.167 5.668 1.00 . A A . 10 ILE H 1 1 6 1187 1 1 10 ILE HA H 9.625 -0.768 7.392 1.00 . A A . 10 ILE HA 1 1 6 1188 1 1 10 ILE HB H 10.110 2.088 6.552 1.00 . A A . 10 ILE HB 1 1 6 1189 1 1 10 ILE HD11 H 10.337 3.504 8.551 1.00 . A A . 10 ILE HD11 1 1 6 1190 1 1 10 ILE HD12 H 10.780 2.770 10.093 1.00 . A A . 10 ILE HD12 1 1 6 1191 1 1 10 ILE HD13 H 12.035 3.249 8.950 1.00 . A A . 10 ILE HD13 1 1 6 1192 1 1 10 ILE HG12 H 10.776 0.758 9.188 1.00 . A A . 10 ILE HG12 1 1 6 1193 1 1 10 ILE HG13 H 11.951 1.269 7.982 1.00 . A A . 10 ILE HG13 1 1 6 1194 1 1 10 ILE HG21 H 7.812 1.651 7.084 1.00 . A A . 10 ILE HG21 1 1 6 1195 1 1 10 ILE HG22 H 8.267 0.821 8.571 1.00 . A A . 10 ILE HG22 1 1 6 1196 1 1 10 ILE HG23 H 8.531 2.557 8.415 1.00 . A A . 10 ILE HG23 1 1 6 1197 1 1 10 ILE N N 11.337 -0.403 6.298 1.00 . A A . 10 ILE N 1 1 6 1198 1 1 10 ILE O O 9.477 0.180 4.331 1.00 . A A . 10 ILE O 1 1 6 1199 1 1 11 CYS C C 5.418 0.019 5.131 1.00 . A A . 11 CYS C 1 1 6 1200 1 1 11 CYS CA C 6.789 -0.425 4.629 1.00 . A A . 11 CYS CA 1 1 6 1201 1 1 11 CYS CB C 6.701 -1.843 4.061 1.00 . A A . 11 CYS CB 1 1 6 1202 1 1 11 CYS H H 7.495 -0.558 6.620 1.00 . A A . 11 CYS H 1 1 6 1203 1 1 11 CYS HA H 7.107 0.247 3.847 1.00 . A A . 11 CYS HA 1 1 6 1204 1 1 11 CYS HB2 H 6.799 -2.553 4.869 1.00 . A A . 11 CYS HB2 1 1 6 1205 1 1 11 CYS HB3 H 5.739 -1.975 3.588 1.00 . A A . 11 CYS HB3 1 1 6 1206 1 1 11 CYS N N 7.777 -0.369 5.699 1.00 . A A . 11 CYS N 1 1 6 1207 1 1 11 CYS O O 4.945 -0.443 6.169 1.00 . A A . 11 CYS O 1 1 6 1208 1 1 11 CYS SG S 7.984 -2.230 2.827 1.00 . A A . 11 CYS SG 1 1 6 1209 1 1 12 PHE C C 2.379 0.412 4.413 1.00 . A A . 12 PHE C 1 1 6 1210 1 1 12 PHE CA C 3.467 1.426 4.754 1.00 . A A . 12 PHE CA 1 1 6 1211 1 1 12 PHE CB C 3.189 2.750 4.039 1.00 . A A . 12 PHE CB 1 1 6 1212 1 1 12 PHE CD1 C 4.553 4.853 4.151 1.00 . A A . 12 PHE CD1 1 1 6 1213 1 1 12 PHE CD2 C 3.352 4.176 6.097 1.00 . A A . 12 PHE CD2 1 1 6 1214 1 1 12 PHE CE1 C 5.032 5.959 4.827 1.00 . A A . 12 PHE CE1 1 1 6 1215 1 1 12 PHE CE2 C 3.828 5.281 6.778 1.00 . A A . 12 PHE CE2 1 1 6 1216 1 1 12 PHE CG C 3.708 3.950 4.777 1.00 . A A . 12 PHE CG 1 1 6 1217 1 1 12 PHE CZ C 4.670 6.173 6.143 1.00 . A A . 12 PHE CZ 1 1 6 1218 1 1 12 PHE H H 5.212 1.249 3.568 1.00 . A A . 12 PHE H 1 1 6 1219 1 1 12 PHE HA H 3.465 1.595 5.820 1.00 . A A . 12 PHE HA 1 1 6 1220 1 1 12 PHE HB2 H 3.658 2.731 3.066 1.00 . A A . 12 PHE HB2 1 1 6 1221 1 1 12 PHE HB3 H 2.123 2.868 3.918 1.00 . A A . 12 PHE HB3 1 1 6 1222 1 1 12 PHE HD1 H 4.837 4.687 3.121 1.00 . A A . 12 PHE HD1 1 1 6 1223 1 1 12 PHE HD2 H 2.695 3.479 6.595 1.00 . A A . 12 PHE HD2 1 1 6 1224 1 1 12 PHE HE1 H 5.690 6.655 4.328 1.00 . A A . 12 PHE HE1 1 1 6 1225 1 1 12 PHE HE2 H 3.543 5.445 7.807 1.00 . A A . 12 PHE HE2 1 1 6 1226 1 1 12 PHE HZ H 5.042 7.036 6.673 1.00 . A A . 12 PHE HZ 1 1 6 1227 1 1 12 PHE N N 4.784 0.918 4.385 1.00 . A A . 12 PHE N 1 1 6 1228 1 1 12 PHE O O 2.569 -0.491 3.598 1.00 . A A . 12 PHE O 1 1 6 1229 1 1 13 PRO C C -0.553 -0.149 3.453 1.00 . A A . 13 PRO C 1 1 6 1230 1 1 13 PRO CA C 0.067 -0.328 4.835 1.00 . A A . 13 PRO CA 1 1 6 1231 1 1 13 PRO CB C -0.924 0.091 5.924 1.00 . A A . 13 PRO CB 1 1 6 1232 1 1 13 PRO CD C 0.912 1.618 6.037 1.00 . A A . 13 PRO CD 1 1 6 1233 1 1 13 PRO CG C -0.575 1.507 6.228 1.00 . A A . 13 PRO CG 1 1 6 1234 1 1 13 PRO HA H 0.340 -1.364 4.974 1.00 . A A . 13 PRO HA 1 1 6 1235 1 1 13 PRO HB2 H -1.934 0.004 5.548 1.00 . A A . 13 PRO HB2 1 1 6 1236 1 1 13 PRO HB3 H -0.800 -0.540 6.791 1.00 . A A . 13 PRO HB3 1 1 6 1237 1 1 13 PRO HD2 H 1.172 2.592 5.650 1.00 . A A . 13 PRO HD2 1 1 6 1238 1 1 13 PRO HD3 H 1.427 1.431 6.968 1.00 . A A . 13 PRO HD3 1 1 6 1239 1 1 13 PRO HG2 H -1.091 2.167 5.546 1.00 . A A . 13 PRO HG2 1 1 6 1240 1 1 13 PRO HG3 H -0.840 1.739 7.249 1.00 . A A . 13 PRO HG3 1 1 6 1241 1 1 13 PRO N N 1.209 0.564 5.053 1.00 . A A . 13 PRO N 1 1 6 1242 1 1 13 PRO O O -0.975 -1.118 2.821 1.00 . A A . 13 PRO O 1 1 6 1243 1 1 14 ASP C C -0.487 0.588 0.589 1.00 . A A . 14 ASP C 1 1 6 1244 1 1 14 ASP CA C -1.173 1.401 1.682 1.00 . A A . 14 ASP CA 1 1 6 1245 1 1 14 ASP CB C -1.041 2.895 1.382 1.00 . A A . 14 ASP CB 1 1 6 1246 1 1 14 ASP CG C 0.305 3.453 1.800 1.00 . A A . 14 ASP CG 1 1 6 1247 1 1 14 ASP H H -0.253 1.825 3.541 1.00 . A A . 14 ASP H 1 1 6 1248 1 1 14 ASP HA H -2.220 1.139 1.705 1.00 . A A . 14 ASP HA 1 1 6 1249 1 1 14 ASP HB2 H -1.162 3.055 0.321 1.00 . A A . 14 ASP HB2 1 1 6 1250 1 1 14 ASP HB3 H -1.814 3.432 1.913 1.00 . A A . 14 ASP HB3 1 1 6 1251 1 1 14 ASP N N -0.606 1.095 2.990 1.00 . A A . 14 ASP N 1 1 6 1252 1 1 14 ASP O O -1.134 0.125 -0.352 1.00 . A A . 14 ASP O 1 1 6 1253 1 1 14 ASP OD1 O 1.267 3.336 1.012 1.00 . A A . 14 ASP OD1 1 1 6 1254 1 1 14 ASP OD2 O 0.396 4.008 2.915 1.00 . A A . 14 ASP OD2 1 1 7 1255 1 1 1 GLY C C 2.994 -0.099 -0.413 1.00 . A A . 1 GLY C 1 1 7 1256 1 1 1 GLY CA C 1.565 -0.537 -0.160 1.00 . A A . 1 GLY CA 1 1 7 1257 1 1 1 GLY H1 H 1.257 1.161 1.067 1.00 . A A . 1 GLY H1 1 1 7 1258 1 1 1 GLY HA2 H 1.576 -1.447 0.420 1.00 . A A . 1 GLY HA2 1 1 7 1259 1 1 1 GLY HA3 H 1.087 -0.732 -1.109 1.00 . A A . 1 GLY HA3 1 1 7 1260 1 1 1 GLY N N 0.795 0.465 0.554 1.00 . A A . 1 GLY N 1 1 7 1261 1 1 1 GLY O O 3.906 -0.925 -0.452 1.00 . A A . 1 GLY O 1 1 7 1262 1 1 2 ARG C C 5.461 1.446 0.321 1.00 . A A . 2 ARG C 1 1 7 1263 1 1 2 ARG CA C 4.518 1.750 -0.840 1.00 . A A . 2 ARG CA 1 1 7 1264 1 1 2 ARG CB C 4.437 3.261 -1.063 1.00 . A A . 2 ARG CB 1 1 7 1265 1 1 2 ARG CD C 5.843 5.295 -1.513 1.00 . A A . 2 ARG CD 1 1 7 1266 1 1 2 ARG CG C 5.618 3.827 -1.836 1.00 . A A . 2 ARG CG 1 1 7 1267 1 1 2 ARG CZ C 4.837 7.476 -2.039 1.00 . A A . 2 ARG CZ 1 1 7 1268 1 1 2 ARG H H 2.423 1.813 -0.544 1.00 . A A . 2 ARG H 1 1 7 1269 1 1 2 ARG HA H 4.904 1.283 -1.733 1.00 . A A . 2 ARG HA 1 1 7 1270 1 1 2 ARG HB2 H 3.535 3.485 -1.614 1.00 . A A . 2 ARG HB2 1 1 7 1271 1 1 2 ARG HB3 H 4.394 3.753 -0.103 1.00 . A A . 2 ARG HB3 1 1 7 1272 1 1 2 ARG HD2 H 5.822 5.422 -0.441 1.00 . A A . 2 ARG HD2 1 1 7 1273 1 1 2 ARG HD3 H 6.811 5.589 -1.891 1.00 . A A . 2 ARG HD3 1 1 7 1274 1 1 2 ARG HE H 4.086 5.712 -2.589 1.00 . A A . 2 ARG HE 1 1 7 1275 1 1 2 ARG HG2 H 6.507 3.272 -1.573 1.00 . A A . 2 ARG HG2 1 1 7 1276 1 1 2 ARG HG3 H 5.426 3.724 -2.893 1.00 . A A . 2 ARG HG3 1 1 7 1277 1 1 2 ARG HH11 H 6.548 7.565 -0.969 1.00 . A A . 2 ARG HH11 1 1 7 1278 1 1 2 ARG HH12 H 5.829 9.095 -1.346 1.00 . A A . 2 ARG HH12 1 1 7 1279 1 1 2 ARG HH21 H 3.130 7.721 -3.093 1.00 . A A . 2 ARG HH21 1 1 7 1280 1 1 2 ARG HH22 H 3.884 9.183 -2.554 1.00 . A A . 2 ARG HH22 1 1 7 1281 1 1 2 ARG N N 3.190 1.204 -0.586 1.00 . A A . 2 ARG N 1 1 7 1282 1 1 2 ARG NE N 4.821 6.150 -2.111 1.00 . A A . 2 ARG NE 1 1 7 1283 1 1 2 ARG NH1 N 5.819 8.096 -1.398 1.00 . A A . 2 ARG NH1 1 1 7 1284 1 1 2 ARG NH2 N 3.871 8.185 -2.609 1.00 . A A . 2 ARG NH2 1 1 7 1285 1 1 2 ARG O O 5.029 1.304 1.465 1.00 . A A . 2 ARG O 1 1 7 1286 1 1 3 CYS C C 8.783 2.185 1.117 1.00 . A A . 3 CYS C 1 1 7 1287 1 1 3 CYS CA C 7.756 1.059 1.034 1.00 . A A . 3 CYS CA 1 1 7 1288 1 1 3 CYS CB C 8.458 -0.265 0.726 1.00 . A A . 3 CYS CB 1 1 7 1289 1 1 3 CYS H H 7.035 1.471 -0.913 1.00 . A A . 3 CYS H 1 1 7 1290 1 1 3 CYS HA H 7.252 0.977 1.985 1.00 . A A . 3 CYS HA 1 1 7 1291 1 1 3 CYS HB2 H 8.732 -0.284 -0.319 1.00 . A A . 3 CYS HB2 1 1 7 1292 1 1 3 CYS HB3 H 9.351 -0.338 1.328 1.00 . A A . 3 CYS HB3 1 1 7 1293 1 1 3 CYS N N 6.751 1.347 0.018 1.00 . A A . 3 CYS N 1 1 7 1294 1 1 3 CYS O O 8.790 3.097 0.290 1.00 . A A . 3 CYS O 1 1 7 1295 1 1 3 CYS SG S 7.441 -1.740 1.057 1.00 . A A . 3 CYS SG 1 1 7 1296 1 1 4 THR C C 11.872 2.880 1.395 1.00 . A A . 4 THR C 1 1 7 1297 1 1 4 THR CA C 10.682 3.126 2.315 1.00 . A A . 4 THR CA 1 1 7 1298 1 1 4 THR CB C 11.173 3.156 3.774 1.00 . A A . 4 THR CB 1 1 7 1299 1 1 4 THR CG2 C 10.147 3.827 4.676 1.00 . A A . 4 THR CG2 1 1 7 1300 1 1 4 THR H H 9.594 1.362 2.748 1.00 . A A . 4 THR H 1 1 7 1301 1 1 4 THR HA H 10.252 4.089 2.081 1.00 . A A . 4 THR HA 1 1 7 1302 1 1 4 THR HB H 12.092 3.722 3.817 1.00 . A A . 4 THR HB 1 1 7 1303 1 1 4 THR HG1 H 11.714 1.280 3.500 1.00 . A A . 4 THR HG1 1 1 7 1304 1 1 4 THR HG21 H 9.780 4.723 4.199 1.00 . A A . 4 THR HG21 1 1 7 1305 1 1 4 THR HG22 H 10.609 4.083 5.618 1.00 . A A . 4 THR HG22 1 1 7 1306 1 1 4 THR HG23 H 9.325 3.150 4.851 1.00 . A A . 4 THR HG23 1 1 7 1307 1 1 4 THR N N 9.651 2.114 2.122 1.00 . A A . 4 THR N 1 1 7 1308 1 1 4 THR O O 11.906 1.894 0.659 1.00 . A A . 4 THR O 1 1 7 1309 1 1 4 THR OG1 O 11.422 1.824 4.236 1.00 . A A . 4 THR OG1 1 1 7 1310 1 1 5 GLN C C 15.259 3.308 1.460 1.00 . A A . 5 GLN C 1 1 7 1311 1 1 5 GLN CA C 14.040 3.661 0.613 1.00 . A A . 5 GLN CA 1 1 7 1312 1 1 5 GLN CB C 14.292 4.964 -0.147 1.00 . A A . 5 GLN CB 1 1 7 1313 1 1 5 GLN CD C 15.226 3.782 -2.175 1.00 . A A . 5 GLN CD 1 1 7 1314 1 1 5 GLN CG C 15.435 4.875 -1.145 1.00 . A A . 5 GLN CG 1 1 7 1315 1 1 5 GLN H H 12.762 4.545 2.050 1.00 . A A . 5 GLN H 1 1 7 1316 1 1 5 GLN HA H 13.870 2.867 -0.098 1.00 . A A . 5 GLN HA 1 1 7 1317 1 1 5 GLN HB2 H 13.395 5.234 -0.682 1.00 . A A . 5 GLN HB2 1 1 7 1318 1 1 5 GLN HB3 H 14.526 5.743 0.565 1.00 . A A . 5 GLN HB3 1 1 7 1319 1 1 5 GLN HE21 H 14.210 5.037 -3.336 1.00 . A A . 5 GLN HE21 1 1 7 1320 1 1 5 GLN HE22 H 14.388 3.430 -3.943 1.00 . A A . 5 GLN HE22 1 1 7 1321 1 1 5 GLN HG2 H 15.522 5.821 -1.660 1.00 . A A . 5 GLN HG2 1 1 7 1322 1 1 5 GLN HG3 H 16.350 4.673 -0.609 1.00 . A A . 5 GLN HG3 1 1 7 1323 1 1 5 GLN N N 12.847 3.781 1.443 1.00 . A A . 5 GLN N 1 1 7 1324 1 1 5 GLN NE2 N 14.538 4.116 -3.261 1.00 . A A . 5 GLN NE2 1 1 7 1325 1 1 5 GLN O O 15.870 2.256 1.276 1.00 . A A . 5 GLN O 1 1 7 1326 1 1 5 GLN OE1 O 15.677 2.651 -1.997 1.00 . A A . 5 GLN OE1 1 1 7 1327 1 1 6 ALA C C 16.337 3.241 4.532 1.00 . A A . 6 ALA C 1 1 7 1328 1 1 6 ALA CA C 16.751 3.976 3.262 1.00 . A A . 6 ALA CA 1 1 7 1329 1 1 6 ALA CB C 17.411 5.303 3.609 1.00 . A A . 6 ALA CB 1 1 7 1330 1 1 6 ALA H H 15.079 5.015 2.485 1.00 . A A . 6 ALA H 1 1 7 1331 1 1 6 ALA HA H 17.470 3.373 2.727 1.00 . A A . 6 ALA HA 1 1 7 1332 1 1 6 ALA HB1 H 16.807 6.114 3.231 1.00 . A A . 6 ALA HB1 1 1 7 1333 1 1 6 ALA HB2 H 17.501 5.390 4.682 1.00 . A A . 6 ALA HB2 1 1 7 1334 1 1 6 ALA HB3 H 18.392 5.344 3.160 1.00 . A A . 6 ALA HB3 1 1 7 1335 1 1 6 ALA N N 15.606 4.195 2.387 1.00 . A A . 6 ALA N 1 1 7 1336 1 1 6 ALA O O 15.253 3.469 5.068 1.00 . A A . 6 ALA O 1 1 7 1337 1 1 7 TRP C C 16.528 2.504 7.366 1.00 . A A . 7 TRP C 1 1 7 1338 1 1 7 TRP CA C 16.931 1.587 6.216 1.00 . A A . 7 TRP CA 1 1 7 1339 1 1 7 TRP CB C 18.158 0.763 6.611 1.00 . A A . 7 TRP CB 1 1 7 1340 1 1 7 TRP CD1 C 17.532 -1.046 4.908 1.00 . A A . 7 TRP CD1 1 1 7 1341 1 1 7 TRP CD2 C 18.763 -1.786 6.627 1.00 . A A . 7 TRP CD2 1 1 7 1342 1 1 7 TRP CE2 C 18.489 -2.871 5.771 1.00 . A A . 7 TRP CE2 1 1 7 1343 1 1 7 TRP CE3 C 19.525 -2.011 7.776 1.00 . A A . 7 TRP CE3 1 1 7 1344 1 1 7 TRP CG C 18.142 -0.629 6.056 1.00 . A A . 7 TRP CG 1 1 7 1345 1 1 7 TRP CH2 C 19.693 -4.350 7.163 1.00 . A A . 7 TRP CH2 1 1 7 1346 1 1 7 TRP CZ2 C 18.950 -4.158 6.030 1.00 . A A . 7 TRP CZ2 1 1 7 1347 1 1 7 TRP CZ3 C 19.981 -3.290 8.033 1.00 . A A . 7 TRP CZ3 1 1 7 1348 1 1 7 TRP H H 18.056 2.219 4.537 1.00 . A A . 7 TRP H 1 1 7 1349 1 1 7 TRP HA H 16.113 0.917 6.001 1.00 . A A . 7 TRP HA 1 1 7 1350 1 1 7 TRP HB2 H 19.047 1.256 6.249 1.00 . A A . 7 TRP HB2 1 1 7 1351 1 1 7 TRP HB3 H 18.203 0.693 7.689 1.00 . A A . 7 TRP HB3 1 1 7 1352 1 1 7 TRP HD1 H 16.973 -0.401 4.247 1.00 . A A . 7 TRP HD1 1 1 7 1353 1 1 7 TRP HE1 H 17.399 -2.926 3.979 1.00 . A A . 7 TRP HE1 1 1 7 1354 1 1 7 TRP HE3 H 19.757 -1.207 8.459 1.00 . A A . 7 TRP HE3 1 1 7 1355 1 1 7 TRP HH2 H 20.070 -5.332 7.403 1.00 . A A . 7 TRP HH2 1 1 7 1356 1 1 7 TRP HZ2 H 18.737 -4.986 5.369 1.00 . A A . 7 TRP HZ2 1 1 7 1357 1 1 7 TRP HZ3 H 20.571 -3.483 8.917 1.00 . A A . 7 TRP HZ3 1 1 7 1358 1 1 7 TRP N N 17.207 2.357 5.008 1.00 . A A . 7 TRP N 1 1 7 1359 1 1 7 TRP NE1 N 17.736 -2.394 4.730 1.00 . A A . 7 TRP NE1 1 1 7 1360 1 1 7 TRP O O 16.785 3.708 7.351 1.00 . A A . 7 TRP O 1 1 7 1361 1 1 8 PRO C C 14.501 0.111 7.394 1.00 . A A . 8 PRO C 1 1 7 1362 1 1 8 PRO CA C 15.568 0.492 8.415 1.00 . A A . 8 PRO CA 1 1 7 1363 1 1 8 PRO CB C 15.049 0.270 9.838 1.00 . A A . 8 PRO CB 1 1 7 1364 1 1 8 PRO CD C 15.402 2.622 9.592 1.00 . A A . 8 PRO CD 1 1 7 1365 1 1 8 PRO CG C 14.526 1.599 10.262 1.00 . A A . 8 PRO CG 1 1 7 1366 1 1 8 PRO HA H 16.450 -0.110 8.254 1.00 . A A . 8 PRO HA 1 1 7 1367 1 1 8 PRO HB2 H 14.268 -0.477 9.827 1.00 . A A . 8 PRO HB2 1 1 7 1368 1 1 8 PRO HB3 H 15.859 -0.056 10.473 1.00 . A A . 8 PRO HB3 1 1 7 1369 1 1 8 PRO HD2 H 14.826 3.497 9.329 1.00 . A A . 8 PRO HD2 1 1 7 1370 1 1 8 PRO HD3 H 16.228 2.890 10.234 1.00 . A A . 8 PRO HD3 1 1 7 1371 1 1 8 PRO HG2 H 13.503 1.712 9.938 1.00 . A A . 8 PRO HG2 1 1 7 1372 1 1 8 PRO HG3 H 14.594 1.694 11.336 1.00 . A A . 8 PRO HG3 1 1 7 1373 1 1 8 PRO N N 15.880 1.924 8.387 1.00 . A A . 8 PRO N 1 1 7 1374 1 1 8 PRO O O 13.833 0.965 6.810 1.00 . A A . 8 PRO O 1 1 7 1375 1 1 9 PRO C C 11.916 -1.525 6.704 1.00 . A A . 9 PRO C 1 1 7 1376 1 1 9 PRO CA C 13.349 -1.725 6.222 1.00 . A A . 9 PRO CA 1 1 7 1377 1 1 9 PRO CB C 13.686 -3.217 6.149 1.00 . A A . 9 PRO CB 1 1 7 1378 1 1 9 PRO CD C 15.096 -2.275 7.834 1.00 . A A . 9 PRO CD 1 1 7 1379 1 1 9 PRO CG C 14.347 -3.521 7.449 1.00 . A A . 9 PRO CG 1 1 7 1380 1 1 9 PRO HA H 13.465 -1.280 5.245 1.00 . A A . 9 PRO HA 1 1 7 1381 1 1 9 PRO HB2 H 12.776 -3.788 6.024 1.00 . A A . 9 PRO HB2 1 1 7 1382 1 1 9 PRO HB3 H 14.349 -3.399 5.317 1.00 . A A . 9 PRO HB3 1 1 7 1383 1 1 9 PRO HD2 H 15.091 -2.148 8.906 1.00 . A A . 9 PRO HD2 1 1 7 1384 1 1 9 PRO HD3 H 16.109 -2.314 7.461 1.00 . A A . 9 PRO HD3 1 1 7 1385 1 1 9 PRO HG2 H 13.601 -3.755 8.193 1.00 . A A . 9 PRO HG2 1 1 7 1386 1 1 9 PRO HG3 H 15.031 -4.347 7.328 1.00 . A A . 9 PRO HG3 1 1 7 1387 1 1 9 PRO N N 14.335 -1.201 7.173 1.00 . A A . 9 PRO N 1 1 7 1388 1 1 9 PRO O O 11.389 -2.336 7.466 1.00 . A A . 9 PRO O 1 1 7 1389 1 1 10 ILE C C 8.995 -0.139 5.424 1.00 . A A . 10 ILE C 1 1 7 1390 1 1 10 ILE CA C 9.919 -0.138 6.638 1.00 . A A . 10 ILE CA 1 1 7 1391 1 1 10 ILE CB C 9.821 1.228 7.342 1.00 . A A . 10 ILE CB 1 1 7 1392 1 1 10 ILE CD1 C 10.888 2.677 9.143 1.00 . A A . 10 ILE CD1 1 1 7 1393 1 1 10 ILE CG1 C 10.876 1.334 8.445 1.00 . A A . 10 ILE CG1 1 1 7 1394 1 1 10 ILE CG2 C 8.426 1.431 7.913 1.00 . A A . 10 ILE CG2 1 1 7 1395 1 1 10 ILE H H 11.765 0.166 5.648 1.00 . A A . 10 ILE H 1 1 7 1396 1 1 10 ILE HA H 9.590 -0.901 7.328 1.00 . A A . 10 ILE HA 1 1 7 1397 1 1 10 ILE HB H 9.999 2.000 6.608 1.00 . A A . 10 ILE HB 1 1 7 1398 1 1 10 ILE HD11 H 11.038 3.460 8.414 1.00 . A A . 10 ILE HD11 1 1 7 1399 1 1 10 ILE HD12 H 9.946 2.829 9.648 1.00 . A A . 10 ILE HD12 1 1 7 1400 1 1 10 ILE HD13 H 11.691 2.700 9.865 1.00 . A A . 10 ILE HD13 1 1 7 1401 1 1 10 ILE HG12 H 10.687 0.577 9.189 1.00 . A A . 10 ILE HG12 1 1 7 1402 1 1 10 ILE HG13 H 11.854 1.174 8.015 1.00 . A A . 10 ILE HG13 1 1 7 1403 1 1 10 ILE HG21 H 7.710 1.478 7.106 1.00 . A A . 10 ILE HG21 1 1 7 1404 1 1 10 ILE HG22 H 8.180 0.605 8.563 1.00 . A A . 10 ILE HG22 1 1 7 1405 1 1 10 ILE HG23 H 8.397 2.352 8.475 1.00 . A A . 10 ILE HG23 1 1 7 1406 1 1 10 ILE N N 11.292 -0.442 6.253 1.00 . A A . 10 ILE N 1 1 7 1407 1 1 10 ILE O O 9.416 0.172 4.310 1.00 . A A . 10 ILE O 1 1 7 1408 1 1 11 CYS C C 5.393 -0.023 5.060 1.00 . A A . 11 CYS C 1 1 7 1409 1 1 11 CYS CA C 6.748 -0.530 4.575 1.00 . A A . 11 CYS CA 1 1 7 1410 1 1 11 CYS CB C 6.608 -1.956 4.036 1.00 . A A . 11 CYS CB 1 1 7 1411 1 1 11 CYS H H 7.458 -0.727 6.559 1.00 . A A . 11 CYS H 1 1 7 1412 1 1 11 CYS HA H 7.096 0.112 3.781 1.00 . A A . 11 CYS HA 1 1 7 1413 1 1 11 CYS HB2 H 6.634 -2.649 4.865 1.00 . A A . 11 CYS HB2 1 1 7 1414 1 1 11 CYS HB3 H 5.661 -2.048 3.526 1.00 . A A . 11 CYS HB3 1 1 7 1415 1 1 11 CYS N N 7.733 -0.490 5.649 1.00 . A A . 11 CYS N 1 1 7 1416 1 1 11 CYS O O 4.897 -0.447 6.104 1.00 . A A . 11 CYS O 1 1 7 1417 1 1 11 CYS SG S 7.919 -2.441 2.868 1.00 . A A . 11 CYS SG 1 1 7 1418 1 1 12 PHE C C 2.384 0.449 4.391 1.00 . A A . 12 PHE C 1 1 7 1419 1 1 12 PHE CA C 3.503 1.454 4.647 1.00 . A A . 12 PHE CA 1 1 7 1420 1 1 12 PHE CB C 3.248 2.734 3.848 1.00 . A A . 12 PHE CB 1 1 7 1421 1 1 12 PHE CD1 C 4.665 4.804 3.799 1.00 . A A . 12 PHE CD1 1 1 7 1422 1 1 12 PHE CD2 C 3.479 4.290 5.803 1.00 . A A . 12 PHE CD2 1 1 7 1423 1 1 12 PHE CE1 C 5.182 5.940 4.393 1.00 . A A . 12 PHE CE1 1 1 7 1424 1 1 12 PHE CE2 C 3.993 5.425 6.401 1.00 . A A . 12 PHE CE2 1 1 7 1425 1 1 12 PHE CG C 3.808 3.967 4.496 1.00 . A A . 12 PHE CG 1 1 7 1426 1 1 12 PHE CZ C 4.846 6.250 5.696 1.00 . A A . 12 PHE CZ 1 1 7 1427 1 1 12 PHE H H 5.246 1.187 3.475 1.00 . A A . 12 PHE H 1 1 7 1428 1 1 12 PHE HA H 3.522 1.694 5.699 1.00 . A A . 12 PHE HA 1 1 7 1429 1 1 12 PHE HB2 H 3.701 2.637 2.873 1.00 . A A . 12 PHE HB2 1 1 7 1430 1 1 12 PHE HB3 H 2.184 2.871 3.734 1.00 . A A . 12 PHE HB3 1 1 7 1431 1 1 12 PHE HD1 H 4.929 4.562 2.779 1.00 . A A . 12 PHE HD1 1 1 7 1432 1 1 12 PHE HD2 H 2.812 3.645 6.356 1.00 . A A . 12 PHE HD2 1 1 7 1433 1 1 12 PHE HE1 H 5.849 6.583 3.838 1.00 . A A . 12 PHE HE1 1 1 7 1434 1 1 12 PHE HE2 H 3.729 5.665 7.420 1.00 . A A . 12 PHE HE2 1 1 7 1435 1 1 12 PHE HZ H 5.248 7.138 6.161 1.00 . A A . 12 PHE HZ 1 1 7 1436 1 1 12 PHE N N 4.800 0.888 4.295 1.00 . A A . 12 PHE N 1 1 7 1437 1 1 12 PHE O O 2.538 -0.511 3.637 1.00 . A A . 12 PHE O 1 1 7 1438 1 1 13 PRO C C -0.577 -0.097 3.513 1.00 . A A . 13 PRO C 1 1 7 1439 1 1 13 PRO CA C 0.060 -0.199 4.894 1.00 . A A . 13 PRO CA 1 1 7 1440 1 1 13 PRO CB C -0.901 0.319 5.966 1.00 . A A . 13 PRO CB 1 1 7 1441 1 1 13 PRO CD C 0.975 1.800 5.950 1.00 . A A . 13 PRO CD 1 1 7 1442 1 1 13 PRO CG C -0.512 1.743 6.169 1.00 . A A . 13 PRO CG 1 1 7 1443 1 1 13 PRO HA H 0.309 -1.230 5.099 1.00 . A A . 13 PRO HA 1 1 7 1444 1 1 13 PRO HB2 H -1.919 0.233 5.612 1.00 . A A . 13 PRO HB2 1 1 7 1445 1 1 13 PRO HB3 H -0.780 -0.256 6.872 1.00 . A A . 13 PRO HB3 1 1 7 1446 1 1 13 PRO HD2 H 1.253 2.738 5.494 1.00 . A A . 13 PRO HD2 1 1 7 1447 1 1 13 PRO HD3 H 1.499 1.662 6.885 1.00 . A A . 13 PRO HD3 1 1 7 1448 1 1 13 PRO HG2 H -1.021 2.368 5.451 1.00 . A A . 13 PRO HG2 1 1 7 1449 1 1 13 PRO HG3 H -0.754 2.049 7.175 1.00 . A A . 13 PRO HG3 1 1 7 1450 1 1 13 PRO N N 1.229 0.675 5.035 1.00 . A A . 13 PRO N 1 1 7 1451 1 1 13 PRO O O -1.028 -1.095 2.951 1.00 . A A . 13 PRO O 1 1 7 1452 1 1 14 ASP C C -0.548 0.440 0.608 1.00 . A A . 14 ASP C 1 1 7 1453 1 1 14 ASP CA C -1.190 1.348 1.652 1.00 . A A . 14 ASP CA 1 1 7 1454 1 1 14 ASP CB C -1.018 2.812 1.247 1.00 . A A . 14 ASP CB 1 1 7 1455 1 1 14 ASP CG C 0.350 3.357 1.609 1.00 . A A . 14 ASP CG 1 1 7 1456 1 1 14 ASP H H -0.233 1.872 3.467 1.00 . A A . 14 ASP H 1 1 7 1457 1 1 14 ASP HA H -2.243 1.121 1.710 1.00 . A A . 14 ASP HA 1 1 7 1458 1 1 14 ASP HB2 H -1.150 2.901 0.178 1.00 . A A . 14 ASP HB2 1 1 7 1459 1 1 14 ASP HB3 H -1.767 3.408 1.749 1.00 . A A . 14 ASP HB3 1 1 7 1460 1 1 14 ASP N N -0.609 1.115 2.970 1.00 . A A . 14 ASP N 1 1 7 1461 1 1 14 ASP O O -1.225 -0.071 -0.285 1.00 . A A . 14 ASP O 1 1 7 1462 1 1 14 ASP OD1 O 1.297 3.152 0.821 1.00 . A A . 14 ASP OD1 1 1 7 1463 1 1 14 ASP OD2 O 0.473 3.989 2.678 1.00 . A A . 14 ASP OD2 1 1 8 1464 1 1 1 GLY C C 3.324 0.565 -0.296 1.00 . A A . 1 GLY C 1 1 8 1465 1 1 1 GLY CA C 1.933 0.132 0.124 1.00 . A A . 1 GLY CA 1 1 8 1466 1 1 1 GLY H1 H 1.322 2.158 0.191 1.00 . A A . 1 GLY H1 1 1 8 1467 1 1 1 GLY HA2 H 1.985 -0.305 1.110 1.00 . A A . 1 GLY HA2 1 1 8 1468 1 1 1 GLY HA3 H 1.576 -0.614 -0.571 1.00 . A A . 1 GLY HA3 1 1 8 1469 1 1 1 GLY N N 0.992 1.236 0.150 1.00 . A A . 1 GLY N 1 1 8 1470 1 1 1 GLY O O 4.021 -0.164 -1.002 1.00 . A A . 1 GLY O 1 1 8 1471 1 1 2 ARG C C 6.124 1.651 0.671 1.00 . A A . 2 ARG C 1 1 8 1472 1 1 2 ARG CA C 5.043 2.284 -0.199 1.00 . A A . 2 ARG CA 1 1 8 1473 1 1 2 ARG CB C 5.063 3.805 -0.029 1.00 . A A . 2 ARG CB 1 1 8 1474 1 1 2 ARG CD C 3.092 4.749 -1.271 1.00 . A A . 2 ARG CD 1 1 8 1475 1 1 2 ARG CG C 4.601 4.562 -1.264 1.00 . A A . 2 ARG CG 1 1 8 1476 1 1 2 ARG CZ C 2.751 7.065 -2.020 1.00 . A A . 2 ARG CZ 1 1 8 1477 1 1 2 ARG H H 3.126 2.289 0.698 1.00 . A A . 2 ARG H 1 1 8 1478 1 1 2 ARG HA H 5.242 2.044 -1.233 1.00 . A A . 2 ARG HA 1 1 8 1479 1 1 2 ARG HB2 H 4.415 4.072 0.793 1.00 . A A . 2 ARG HB2 1 1 8 1480 1 1 2 ARG HB3 H 6.070 4.116 0.201 1.00 . A A . 2 ARG HB3 1 1 8 1481 1 1 2 ARG HD2 H 2.627 3.807 -1.521 1.00 . A A . 2 ARG HD2 1 1 8 1482 1 1 2 ARG HD3 H 2.776 5.055 -0.285 1.00 . A A . 2 ARG HD3 1 1 8 1483 1 1 2 ARG HE H 2.308 5.443 -3.093 1.00 . A A . 2 ARG HE 1 1 8 1484 1 1 2 ARG HG2 H 5.073 5.533 -1.277 1.00 . A A . 2 ARG HG2 1 1 8 1485 1 1 2 ARG HG3 H 4.891 4.007 -2.144 1.00 . A A . 2 ARG HG3 1 1 8 1486 1 1 2 ARG HH11 H 3.543 6.878 -0.172 1.00 . A A . 2 ARG HH11 1 1 8 1487 1 1 2 ARG HH12 H 3.298 8.505 -0.712 1.00 . A A . 2 ARG HH12 1 1 8 1488 1 1 2 ARG HH21 H 1.980 7.581 -3.816 1.00 . A A . 2 ARG HH21 1 1 8 1489 1 1 2 ARG HH22 H 2.408 8.904 -2.785 1.00 . A A . 2 ARG HH22 1 1 8 1490 1 1 2 ARG N N 3.727 1.754 0.138 1.00 . A A . 2 ARG N 1 1 8 1491 1 1 2 ARG NE N 2.670 5.757 -2.239 1.00 . A A . 2 ARG NE 1 1 8 1492 1 1 2 ARG NH1 N 3.237 7.520 -0.874 1.00 . A A . 2 ARG NH1 1 1 8 1493 1 1 2 ARG NH2 N 2.347 7.921 -2.950 1.00 . A A . 2 ARG NH2 1 1 8 1494 1 1 2 ARG O O 5.827 0.999 1.673 1.00 . A A . 2 ARG O 1 1 8 1495 1 1 3 CYS C C 9.590 2.346 1.232 1.00 . A A . 3 CYS C 1 1 8 1496 1 1 3 CYS CA C 8.506 1.292 1.023 1.00 . A A . 3 CYS CA 1 1 8 1497 1 1 3 CYS CB C 9.088 0.086 0.285 1.00 . A A . 3 CYS CB 1 1 8 1498 1 1 3 CYS H H 7.553 2.374 -0.527 1.00 . A A . 3 CYS H 1 1 8 1499 1 1 3 CYS HA H 8.142 0.972 1.988 1.00 . A A . 3 CYS HA 1 1 8 1500 1 1 3 CYS HB2 H 8.939 0.217 -0.777 1.00 . A A . 3 CYS HB2 1 1 8 1501 1 1 3 CYS HB3 H 10.147 0.024 0.489 1.00 . A A . 3 CYS HB3 1 1 8 1502 1 1 3 CYS N N 7.380 1.845 0.281 1.00 . A A . 3 CYS N 1 1 8 1503 1 1 3 CYS O O 9.522 3.442 0.674 1.00 . A A . 3 CYS O 1 1 8 1504 1 1 3 CYS SG S 8.338 -1.507 0.755 1.00 . A A . 3 CYS SG 1 1 8 1505 1 1 4 THR C C 12.981 2.450 1.671 1.00 . A A . 4 THR C 1 1 8 1506 1 1 4 THR CA C 11.687 2.923 2.324 1.00 . A A . 4 THR CA 1 1 8 1507 1 1 4 THR CB C 11.915 3.074 3.840 1.00 . A A . 4 THR CB 1 1 8 1508 1 1 4 THR CG2 C 10.808 3.902 4.474 1.00 . A A . 4 THR CG2 1 1 8 1509 1 1 4 THR H H 10.587 1.120 2.456 1.00 . A A . 4 THR H 1 1 8 1510 1 1 4 THR HA H 11.426 3.891 1.922 1.00 . A A . 4 THR HA 1 1 8 1511 1 1 4 THR HB H 12.858 3.579 3.998 1.00 . A A . 4 THR HB 1 1 8 1512 1 1 4 THR HG1 H 12.785 1.345 4.216 1.00 . A A . 4 THR HG1 1 1 8 1513 1 1 4 THR HG21 H 9.862 3.397 4.346 1.00 . A A . 4 THR HG21 1 1 8 1514 1 1 4 THR HG22 H 10.766 4.871 3.999 1.00 . A A . 4 THR HG22 1 1 8 1515 1 1 4 THR HG23 H 11.010 4.026 5.527 1.00 . A A . 4 THR HG23 1 1 8 1516 1 1 4 THR N N 10.589 2.007 2.040 1.00 . A A . 4 THR N 1 1 8 1517 1 1 4 THR O O 13.516 1.400 2.025 1.00 . A A . 4 THR O 1 1 8 1518 1 1 4 THR OG1 O 11.967 1.784 4.458 1.00 . A A . 4 THR OG1 1 1 8 1519 1 1 5 GLN C C 15.847 2.645 1.002 1.00 . A A . 5 GLN C 1 1 8 1520 1 1 5 GLN CA C 14.709 2.890 0.016 1.00 . A A . 5 GLN CA 1 1 8 1521 1 1 5 GLN CB C 15.093 4.006 -0.957 1.00 . A A . 5 GLN CB 1 1 8 1522 1 1 5 GLN CD C 15.062 3.018 -3.282 1.00 . A A . 5 GLN CD 1 1 8 1523 1 1 5 GLN CG C 14.366 3.928 -2.289 1.00 . A A . 5 GLN CG 1 1 8 1524 1 1 5 GLN H H 13.005 4.055 0.480 1.00 . A A . 5 GLN H 1 1 8 1525 1 1 5 GLN HA H 14.533 1.983 -0.542 1.00 . A A . 5 GLN HA 1 1 8 1526 1 1 5 GLN HB2 H 14.865 4.959 -0.501 1.00 . A A . 5 GLN HB2 1 1 8 1527 1 1 5 GLN HB3 H 16.155 3.953 -1.147 1.00 . A A . 5 GLN HB3 1 1 8 1528 1 1 5 GLN HE21 H 16.053 4.565 -4.043 1.00 . A A . 5 GLN HE21 1 1 8 1529 1 1 5 GLN HE22 H 16.384 3.032 -4.767 1.00 . A A . 5 GLN HE22 1 1 8 1530 1 1 5 GLN HG2 H 13.368 3.553 -2.119 1.00 . A A . 5 GLN HG2 1 1 8 1531 1 1 5 GLN HG3 H 14.308 4.921 -2.712 1.00 . A A . 5 GLN HG3 1 1 8 1532 1 1 5 GLN N N 13.478 3.231 0.718 1.00 . A A . 5 GLN N 1 1 8 1533 1 1 5 GLN NE2 N 15.919 3.596 -4.115 1.00 . A A . 5 GLN NE2 1 1 8 1534 1 1 5 GLN O O 16.697 1.782 0.782 1.00 . A A . 5 GLN O 1 1 8 1535 1 1 5 GLN OE1 O 14.833 1.808 -3.299 1.00 . A A . 5 GLN OE1 1 1 8 1536 1 1 6 ALA C C 16.403 2.418 4.272 1.00 . A A . 6 ALA C 1 1 8 1537 1 1 6 ALA CA C 16.890 3.275 3.108 1.00 . A A . 6 ALA CA 1 1 8 1538 1 1 6 ALA CB C 17.323 4.647 3.605 1.00 . A A . 6 ALA CB 1 1 8 1539 1 1 6 ALA H H 15.153 4.081 2.207 1.00 . A A . 6 ALA H 1 1 8 1540 1 1 6 ALA HA H 17.746 2.797 2.655 1.00 . A A . 6 ALA HA 1 1 8 1541 1 1 6 ALA HB1 H 17.472 5.304 2.761 1.00 . A A . 6 ALA HB1 1 1 8 1542 1 1 6 ALA HB2 H 16.558 5.054 4.249 1.00 . A A . 6 ALA HB2 1 1 8 1543 1 1 6 ALA HB3 H 18.247 4.554 4.157 1.00 . A A . 6 ALA HB3 1 1 8 1544 1 1 6 ALA N N 15.857 3.411 2.088 1.00 . A A . 6 ALA N 1 1 8 1545 1 1 6 ALA O O 15.351 1.785 4.191 1.00 . A A . 6 ALA O 1 1 8 1546 1 1 7 TRP C C 16.314 2.523 7.649 1.00 . A A . 7 TRP C 1 1 8 1547 1 1 7 TRP CA C 16.824 1.620 6.531 1.00 . A A . 7 TRP CA 1 1 8 1548 1 1 7 TRP CB C 18.032 0.818 7.018 1.00 . A A . 7 TRP CB 1 1 8 1549 1 1 7 TRP CD1 C 17.572 -1.018 5.290 1.00 . A A . 7 TRP CD1 1 1 8 1550 1 1 7 TRP CD2 C 18.633 -1.729 7.130 1.00 . A A . 7 TRP CD2 1 1 8 1551 1 1 7 TRP CE2 C 18.442 -2.827 6.268 1.00 . A A . 7 TRP CE2 1 1 8 1552 1 1 7 TRP CE3 C 19.282 -1.936 8.350 1.00 . A A . 7 TRP CE3 1 1 8 1553 1 1 7 TRP CG C 18.069 -0.582 6.485 1.00 . A A . 7 TRP CG 1 1 8 1554 1 1 7 TRP CH2 C 19.508 -4.284 7.791 1.00 . A A . 7 TRP CH2 1 1 8 1555 1 1 7 TRP CZ2 C 18.876 -4.110 6.590 1.00 . A A . 7 TRP CZ2 1 1 8 1556 1 1 7 TRP CZ3 C 19.711 -3.210 8.668 1.00 . A A . 7 TRP CZ3 1 1 8 1557 1 1 7 TRP H H 18.004 2.927 5.356 1.00 . A A . 7 TRP H 1 1 8 1558 1 1 7 TRP HA H 16.037 0.935 6.251 1.00 . A A . 7 TRP HA 1 1 8 1559 1 1 7 TRP HB2 H 18.937 1.318 6.706 1.00 . A A . 7 TRP HB2 1 1 8 1560 1 1 7 TRP HB3 H 18.009 0.765 8.097 1.00 . A A . 7 TRP HB3 1 1 8 1561 1 1 7 TRP HD1 H 17.078 -0.384 4.569 1.00 . A A . 7 TRP HD1 1 1 8 1562 1 1 7 TRP HE1 H 17.528 -2.911 4.382 1.00 . A A . 7 TRP HE1 1 1 8 1563 1 1 7 TRP HE3 H 19.448 -1.121 9.039 1.00 . A A . 7 TRP HE3 1 1 8 1564 1 1 7 TRP HH2 H 19.860 -5.262 8.081 1.00 . A A . 7 TRP HH2 1 1 8 1565 1 1 7 TRP HZ2 H 18.727 -4.948 5.924 1.00 . A A . 7 TRP HZ2 1 1 8 1566 1 1 7 TRP HZ3 H 20.214 -3.389 9.607 1.00 . A A . 7 TRP HZ3 1 1 8 1567 1 1 7 TRP N N 17.176 2.401 5.351 1.00 . A A . 7 TRP N 1 1 8 1568 1 1 7 TRP NE1 N 17.792 -2.367 5.153 1.00 . A A . 7 TRP NE1 1 1 8 1569 1 1 7 TRP O O 16.543 3.732 7.656 1.00 . A A . 7 TRP O 1 1 8 1570 1 1 8 PRO C C 14.348 0.083 7.522 1.00 . A A . 8 PRO C 1 1 8 1571 1 1 8 PRO CA C 15.326 0.485 8.621 1.00 . A A . 8 PRO CA 1 1 8 1572 1 1 8 PRO CB C 14.708 0.246 10.001 1.00 . A A . 8 PRO CB 1 1 8 1573 1 1 8 PRO CD C 15.022 2.606 9.786 1.00 . A A . 8 PRO CD 1 1 8 1574 1 1 8 PRO CG C 14.124 1.561 10.387 1.00 . A A . 8 PRO CG 1 1 8 1575 1 1 8 PRO HA H 16.232 -0.095 8.525 1.00 . A A . 8 PRO HA 1 1 8 1576 1 1 8 PRO HB2 H 13.948 -0.519 9.930 1.00 . A A . 8 PRO HB2 1 1 8 1577 1 1 8 PRO HB3 H 15.475 -0.064 10.694 1.00 . A A . 8 PRO HB3 1 1 8 1578 1 1 8 PRO HD2 H 14.448 3.468 9.482 1.00 . A A . 8 PRO HD2 1 1 8 1579 1 1 8 PRO HD3 H 15.792 2.891 10.489 1.00 . A A . 8 PRO HD3 1 1 8 1580 1 1 8 PRO HG2 H 13.125 1.651 9.988 1.00 . A A . 8 PRO HG2 1 1 8 1581 1 1 8 PRO HG3 H 14.109 1.654 11.463 1.00 . A A . 8 PRO HG3 1 1 8 1582 1 1 8 PRO N N 15.605 1.924 8.618 1.00 . A A . 8 PRO N 1 1 8 1583 1 1 8 PRO O O 13.658 0.917 6.936 1.00 . A A . 8 PRO O 1 1 8 1584 1 1 9 PRO C C 11.924 -1.685 6.609 1.00 . A A . 9 PRO C 1 1 8 1585 1 1 9 PRO CA C 13.392 -1.768 6.206 1.00 . A A . 9 PRO CA 1 1 8 1586 1 1 9 PRO CB C 13.832 -3.230 6.090 1.00 . A A . 9 PRO CB 1 1 8 1587 1 1 9 PRO CD C 15.077 -2.277 7.895 1.00 . A A . 9 PRO CD 1 1 8 1588 1 1 9 PRO CG C 14.437 -3.550 7.413 1.00 . A A . 9 PRO CG 1 1 8 1589 1 1 9 PRO HA H 13.533 -1.272 5.258 1.00 . A A . 9 PRO HA 1 1 8 1590 1 1 9 PRO HB2 H 12.972 -3.852 5.887 1.00 . A A . 9 PRO HB2 1 1 8 1591 1 1 9 PRO HB3 H 14.553 -3.330 5.292 1.00 . A A . 9 PRO HB3 1 1 8 1592 1 1 9 PRO HD2 H 15.002 -2.200 8.970 1.00 . A A . 9 PRO HD2 1 1 8 1593 1 1 9 PRO HD3 H 16.110 -2.232 7.583 1.00 . A A . 9 PRO HD3 1 1 8 1594 1 1 9 PRO HG2 H 13.668 -3.867 8.101 1.00 . A A . 9 PRO HG2 1 1 8 1595 1 1 9 PRO HG3 H 15.182 -4.323 7.299 1.00 . A A . 9 PRO HG3 1 1 8 1596 1 1 9 PRO N N 14.284 -1.226 7.236 1.00 . A A . 9 PRO N 1 1 8 1597 1 1 9 PRO O O 11.339 -2.667 7.068 1.00 . A A . 9 PRO O 1 1 8 1598 1 1 10 ILE C C 9.112 0.065 5.545 1.00 . A A . 10 ILE C 1 1 8 1599 1 1 10 ILE CA C 9.932 -0.297 6.778 1.00 . A A . 10 ILE CA 1 1 8 1600 1 1 10 ILE CB C 9.772 0.814 7.832 1.00 . A A . 10 ILE CB 1 1 8 1601 1 1 10 ILE CD1 C 8.994 3.138 7.143 1.00 . A A . 10 ILE CD1 1 1 8 1602 1 1 10 ILE CG1 C 10.154 2.171 7.236 1.00 . A A . 10 ILE CG1 1 1 8 1603 1 1 10 ILE CG2 C 10.621 0.509 9.057 1.00 . A A . 10 ILE CG2 1 1 8 1604 1 1 10 ILE H H 11.851 0.237 6.065 1.00 . A A . 10 ILE H 1 1 8 1605 1 1 10 ILE HA H 9.550 -1.218 7.194 1.00 . A A . 10 ILE HA 1 1 8 1606 1 1 10 ILE HB H 8.737 0.842 8.139 1.00 . A A . 10 ILE HB 1 1 8 1607 1 1 10 ILE HD11 H 8.849 3.427 6.112 1.00 . A A . 10 ILE HD11 1 1 8 1608 1 1 10 ILE HD12 H 8.098 2.663 7.514 1.00 . A A . 10 ILE HD12 1 1 8 1609 1 1 10 ILE HD13 H 9.209 4.015 7.735 1.00 . A A . 10 ILE HD13 1 1 8 1610 1 1 10 ILE HG12 H 10.915 2.625 7.851 1.00 . A A . 10 ILE HG12 1 1 8 1611 1 1 10 ILE HG13 H 10.543 2.021 6.240 1.00 . A A . 10 ILE HG13 1 1 8 1612 1 1 10 ILE HG21 H 11.666 0.615 8.805 1.00 . A A . 10 ILE HG21 1 1 8 1613 1 1 10 ILE HG22 H 10.371 1.199 9.848 1.00 . A A . 10 ILE HG22 1 1 8 1614 1 1 10 ILE HG23 H 10.430 -0.501 9.385 1.00 . A A . 10 ILE HG23 1 1 8 1615 1 1 10 ILE N N 11.333 -0.507 6.434 1.00 . A A . 10 ILE N 1 1 8 1616 1 1 10 ILE O O 9.615 0.692 4.613 1.00 . A A . 10 ILE O 1 1 8 1617 1 1 11 CYS C C 5.551 0.297 4.926 1.00 . A A . 11 CYS C 1 1 8 1618 1 1 11 CYS CA C 6.952 -0.051 4.429 1.00 . A A . 11 CYS CA 1 1 8 1619 1 1 11 CYS CB C 6.885 -1.253 3.485 1.00 . A A . 11 CYS CB 1 1 8 1620 1 1 11 CYS H H 7.500 -0.831 6.319 1.00 . A A . 11 CYS H 1 1 8 1621 1 1 11 CYS HA H 7.350 0.796 3.892 1.00 . A A . 11 CYS HA 1 1 8 1622 1 1 11 CYS HB2 H 6.526 -2.112 4.033 1.00 . A A . 11 CYS HB2 1 1 8 1623 1 1 11 CYS HB3 H 6.199 -1.032 2.681 1.00 . A A . 11 CYS HB3 1 1 8 1624 1 1 11 CYS N N 7.844 -0.334 5.546 1.00 . A A . 11 CYS N 1 1 8 1625 1 1 11 CYS O O 5.065 -0.279 5.899 1.00 . A A . 11 CYS O 1 1 8 1626 1 1 11 CYS SG S 8.486 -1.702 2.740 1.00 . A A . 11 CYS SG 1 1 8 1627 1 1 12 PHE C C 2.523 0.658 4.154 1.00 . A A . 12 PHE C 1 1 8 1628 1 1 12 PHE CA C 3.564 1.670 4.623 1.00 . A A . 12 PHE CA 1 1 8 1629 1 1 12 PHE CB C 3.259 3.046 4.027 1.00 . A A . 12 PHE CB 1 1 8 1630 1 1 12 PHE CD1 C 3.312 4.275 6.214 1.00 . A A . 12 PHE CD1 1 1 8 1631 1 1 12 PHE CD2 C 4.541 5.174 4.379 1.00 . A A . 12 PHE CD2 1 1 8 1632 1 1 12 PHE CE1 C 3.728 5.324 7.011 1.00 . A A . 12 PHE CE1 1 1 8 1633 1 1 12 PHE CE2 C 4.961 6.225 5.172 1.00 . A A . 12 PHE CE2 1 1 8 1634 1 1 12 PHE CG C 3.713 4.188 4.891 1.00 . A A . 12 PHE CG 1 1 8 1635 1 1 12 PHE CZ C 4.553 6.301 6.489 1.00 . A A . 12 PHE CZ 1 1 8 1636 1 1 12 PHE H H 5.349 1.667 3.483 1.00 . A A . 12 PHE H 1 1 8 1637 1 1 12 PHE HA H 3.525 1.737 5.699 1.00 . A A . 12 PHE HA 1 1 8 1638 1 1 12 PHE HB2 H 3.755 3.135 3.072 1.00 . A A . 12 PHE HB2 1 1 8 1639 1 1 12 PHE HB3 H 2.193 3.140 3.884 1.00 . A A . 12 PHE HB3 1 1 8 1640 1 1 12 PHE HD1 H 2.666 3.511 6.623 1.00 . A A . 12 PHE HD1 1 1 8 1641 1 1 12 PHE HD2 H 4.860 5.116 3.348 1.00 . A A . 12 PHE HD2 1 1 8 1642 1 1 12 PHE HE1 H 3.408 5.381 8.041 1.00 . A A . 12 PHE HE1 1 1 8 1643 1 1 12 PHE HE2 H 5.606 6.988 4.761 1.00 . A A . 12 PHE HE2 1 1 8 1644 1 1 12 PHE HZ H 4.881 7.121 7.111 1.00 . A A . 12 PHE HZ 1 1 8 1645 1 1 12 PHE N N 4.908 1.244 4.250 1.00 . A A . 12 PHE N 1 1 8 1646 1 1 12 PHE O O 2.769 -0.156 3.263 1.00 . A A . 12 PHE O 1 1 8 1647 1 1 13 PRO C C -0.358 0.092 3.054 1.00 . A A . 13 PRO C 1 1 8 1648 1 1 13 PRO CA C 0.229 -0.198 4.431 1.00 . A A . 13 PRO CA 1 1 8 1649 1 1 13 PRO CB C -0.806 0.082 5.523 1.00 . A A . 13 PRO CB 1 1 8 1650 1 1 13 PRO CD C 0.969 1.652 5.838 1.00 . A A . 13 PRO CD 1 1 8 1651 1 1 13 PRO CG C -0.518 1.473 5.971 1.00 . A A . 13 PRO CG 1 1 8 1652 1 1 13 PRO HA H 0.536 -1.232 4.479 1.00 . A A . 13 PRO HA 1 1 8 1653 1 1 13 PRO HB2 H -1.801 -0.003 5.110 1.00 . A A . 13 PRO HB2 1 1 8 1654 1 1 13 PRO HB3 H -0.683 -0.625 6.330 1.00 . A A . 13 PRO HB3 1 1 8 1655 1 1 13 PRO HD2 H 1.204 2.667 5.553 1.00 . A A . 13 PRO HD2 1 1 8 1656 1 1 13 PRO HD3 H 1.464 1.394 6.763 1.00 . A A . 13 PRO HD3 1 1 8 1657 1 1 13 PRO HG2 H -1.038 2.177 5.339 1.00 . A A . 13 PRO HG2 1 1 8 1658 1 1 13 PRO HG3 H -0.819 1.597 7.001 1.00 . A A . 13 PRO HG3 1 1 8 1659 1 1 13 PRO N N 1.332 0.708 4.768 1.00 . A A . 13 PRO N 1 1 8 1660 1 1 13 PRO O O -0.702 -0.826 2.309 1.00 . A A . 13 PRO O 1 1 8 1661 1 1 14 ASP C C -0.319 1.051 0.290 1.00 . A A . 14 ASP C 1 1 8 1662 1 1 14 ASP CA C -1.015 1.784 1.433 1.00 . A A . 14 ASP CA 1 1 8 1663 1 1 14 ASP CB C -0.867 3.296 1.250 1.00 . A A . 14 ASP CB 1 1 8 1664 1 1 14 ASP CG C 0.442 3.820 1.808 1.00 . A A . 14 ASP CG 1 1 8 1665 1 1 14 ASP H H -0.179 2.060 3.358 1.00 . A A . 14 ASP H 1 1 8 1666 1 1 14 ASP HA H -2.064 1.531 1.420 1.00 . A A . 14 ASP HA 1 1 8 1667 1 1 14 ASP HB2 H -0.907 3.531 0.197 1.00 . A A . 14 ASP HB2 1 1 8 1668 1 1 14 ASP HB3 H -1.680 3.794 1.758 1.00 . A A . 14 ASP HB3 1 1 8 1669 1 1 14 ASP N N -0.470 1.374 2.721 1.00 . A A . 14 ASP N 1 1 8 1670 1 1 14 ASP O O -0.954 0.314 -0.466 1.00 . A A . 14 ASP O 1 1 8 1671 1 1 14 ASP OD1 O 1.464 3.747 1.094 1.00 . A A . 14 ASP OD1 1 1 8 1672 1 1 14 ASP OD2 O 0.444 4.306 2.959 1.00 . A A . 14 ASP OD2 1 1 9 1673 1 1 1 GLY C C 3.466 0.960 -0.912 1.00 . A A . 1 GLY C 1 1 9 1674 1 1 1 GLY CA C 2.110 0.304 -1.083 1.00 . A A . 1 GLY CA 1 1 9 1675 1 1 1 GLY H1 H 1.406 1.419 0.574 1.00 . A A . 1 GLY H1 1 1 9 1676 1 1 1 GLY HA2 H 2.219 -0.763 -0.954 1.00 . A A . 1 GLY HA2 1 1 9 1677 1 1 1 GLY HA3 H 1.752 0.501 -2.083 1.00 . A A . 1 GLY HA3 1 1 9 1678 1 1 1 GLY N N 1.132 0.794 -0.130 1.00 . A A . 1 GLY N 1 1 9 1679 1 1 1 GLY O O 4.498 0.346 -1.182 1.00 . A A . 1 GLY O 1 1 9 1680 1 1 2 ARG C C 5.687 2.145 0.581 1.00 . A A . 2 ARG C 1 1 9 1681 1 1 2 ARG CA C 4.702 2.952 -0.260 1.00 . A A . 2 ARG CA 1 1 9 1682 1 1 2 ARG CB C 4.414 4.292 0.419 1.00 . A A . 2 ARG CB 1 1 9 1683 1 1 2 ARG CD C 5.285 6.525 1.176 1.00 . A A . 2 ARG CD 1 1 9 1684 1 1 2 ARG CG C 5.632 5.195 0.525 1.00 . A A . 2 ARG CG 1 1 9 1685 1 1 2 ARG CZ C 5.415 8.073 -0.729 1.00 . A A . 2 ARG CZ 1 1 9 1686 1 1 2 ARG H H 2.608 2.647 -0.266 1.00 . A A . 2 ARG H 1 1 9 1687 1 1 2 ARG HA H 5.142 3.137 -1.229 1.00 . A A . 2 ARG HA 1 1 9 1688 1 1 2 ARG HB2 H 3.656 4.813 -0.146 1.00 . A A . 2 ARG HB2 1 1 9 1689 1 1 2 ARG HB3 H 4.045 4.105 1.416 1.00 . A A . 2 ARG HB3 1 1 9 1690 1 1 2 ARG HD2 H 4.571 6.348 1.966 1.00 . A A . 2 ARG HD2 1 1 9 1691 1 1 2 ARG HD3 H 6.184 6.952 1.593 1.00 . A A . 2 ARG HD3 1 1 9 1692 1 1 2 ARG HE H 3.752 7.660 0.292 1.00 . A A . 2 ARG HE 1 1 9 1693 1 1 2 ARG HG2 H 6.385 4.701 1.122 1.00 . A A . 2 ARG HG2 1 1 9 1694 1 1 2 ARG HG3 H 6.019 5.380 -0.466 1.00 . A A . 2 ARG HG3 1 1 9 1695 1 1 2 ARG HH11 H 7.164 7.196 -0.225 1.00 . A A . 2 ARG HH11 1 1 9 1696 1 1 2 ARG HH12 H 7.241 8.290 -1.567 1.00 . A A . 2 ARG HH12 1 1 9 1697 1 1 2 ARG HH21 H 3.842 9.102 -1.473 1.00 . A A . 2 ARG HH21 1 1 9 1698 1 1 2 ARG HH22 H 5.351 9.374 -2.275 1.00 . A A . 2 ARG HH22 1 1 9 1699 1 1 2 ARG N N 3.463 2.211 -0.464 1.00 . A A . 2 ARG N 1 1 9 1700 1 1 2 ARG NE N 4.710 7.469 0.221 1.00 . A A . 2 ARG NE 1 1 9 1701 1 1 2 ARG NH1 N 6.713 7.834 -0.850 1.00 . A A . 2 ARG NH1 1 1 9 1702 1 1 2 ARG NH2 N 4.820 8.919 -1.561 1.00 . A A . 2 ARG NH2 1 1 9 1703 1 1 2 ARG O O 5.291 1.424 1.498 1.00 . A A . 2 ARG O 1 1 9 1704 1 1 3 CYS C C 9.369 2.222 0.795 1.00 . A A . 3 CYS C 1 1 9 1705 1 1 3 CYS CA C 8.012 1.551 0.986 1.00 . A A . 3 CYS CA 1 1 9 1706 1 1 3 CYS CB C 8.079 0.096 0.516 1.00 . A A . 3 CYS CB 1 1 9 1707 1 1 3 CYS H H 7.224 2.859 -0.480 1.00 . A A . 3 CYS H 1 1 9 1708 1 1 3 CYS HA H 7.760 1.570 2.035 1.00 . A A . 3 CYS HA 1 1 9 1709 1 1 3 CYS HB2 H 7.141 -0.390 0.740 1.00 . A A . 3 CYS HB2 1 1 9 1710 1 1 3 CYS HB3 H 8.243 0.078 -0.551 1.00 . A A . 3 CYS HB3 1 1 9 1711 1 1 3 CYS N N 6.971 2.269 0.262 1.00 . A A . 3 CYS N 1 1 9 1712 1 1 3 CYS O O 9.704 2.671 -0.302 1.00 . A A . 3 CYS O 1 1 9 1713 1 1 3 CYS SG S 9.406 -0.877 1.298 1.00 . A A . 3 CYS SG 1 1 9 1714 1 1 4 THR C C 12.479 1.985 1.143 1.00 . A A . 4 THR C 1 1 9 1715 1 1 4 THR CA C 11.468 2.902 1.822 1.00 . A A . 4 THR CA 1 1 9 1716 1 1 4 THR CB C 11.977 3.253 3.233 1.00 . A A . 4 THR CB 1 1 9 1717 1 1 4 THR CG2 C 11.164 4.390 3.834 1.00 . A A . 4 THR CG2 1 1 9 1718 1 1 4 THR H H 9.826 1.910 2.716 1.00 . A A . 4 THR H 1 1 9 1719 1 1 4 THR HA H 11.389 3.818 1.253 1.00 . A A . 4 THR HA 1 1 9 1720 1 1 4 THR HB H 13.008 3.566 3.160 1.00 . A A . 4 THR HB 1 1 9 1721 1 1 4 THR HG1 H 12.187 1.326 3.596 1.00 . A A . 4 THR HG1 1 1 9 1722 1 1 4 THR HG21 H 11.552 5.334 3.483 1.00 . A A . 4 THR HG21 1 1 9 1723 1 1 4 THR HG22 H 11.232 4.350 4.911 1.00 . A A . 4 THR HG22 1 1 9 1724 1 1 4 THR HG23 H 10.132 4.291 3.535 1.00 . A A . 4 THR HG23 1 1 9 1725 1 1 4 THR N N 10.149 2.286 1.870 1.00 . A A . 4 THR N 1 1 9 1726 1 1 4 THR O O 12.669 0.842 1.558 1.00 . A A . 4 THR O 1 1 9 1727 1 1 4 THR OG1 O 11.898 2.102 4.082 1.00 . A A . 4 THR OG1 1 1 9 1728 1 1 5 GLN C C 15.308 1.376 0.252 1.00 . A A . 5 GLN C 1 1 9 1729 1 1 5 GLN CA C 14.117 1.718 -0.637 1.00 . A A . 5 GLN CA 1 1 9 1730 1 1 5 GLN CB C 14.590 2.493 -1.868 1.00 . A A . 5 GLN CB 1 1 9 1731 1 1 5 GLN CD C 15.419 4.698 -2.782 1.00 . A A . 5 GLN CD 1 1 9 1732 1 1 5 GLN CG C 15.158 3.865 -1.542 1.00 . A A . 5 GLN CG 1 1 9 1733 1 1 5 GLN H H 12.930 3.411 -0.183 1.00 . A A . 5 GLN H 1 1 9 1734 1 1 5 GLN HA H 13.648 0.801 -0.958 1.00 . A A . 5 GLN HA 1 1 9 1735 1 1 5 GLN HB2 H 15.356 1.919 -2.368 1.00 . A A . 5 GLN HB2 1 1 9 1736 1 1 5 GLN HB3 H 13.754 2.624 -2.539 1.00 . A A . 5 GLN HB3 1 1 9 1737 1 1 5 GLN HE21 H 13.505 5.231 -2.855 1.00 . A A . 5 GLN HE21 1 1 9 1738 1 1 5 GLN HE22 H 14.513 5.880 -4.099 1.00 . A A . 5 GLN HE22 1 1 9 1739 1 1 5 GLN HG2 H 14.455 4.392 -0.915 1.00 . A A . 5 GLN HG2 1 1 9 1740 1 1 5 GLN HG3 H 16.089 3.737 -1.010 1.00 . A A . 5 GLN HG3 1 1 9 1741 1 1 5 GLN N N 13.125 2.494 0.099 1.00 . A A . 5 GLN N 1 1 9 1742 1 1 5 GLN NE2 N 14.373 5.334 -3.299 1.00 . A A . 5 GLN NE2 1 1 9 1743 1 1 5 GLN O O 15.846 0.271 0.186 1.00 . A A . 5 GLN O 1 1 9 1744 1 1 5 GLN OE1 O 16.547 4.770 -3.270 1.00 . A A . 5 GLN OE1 1 1 9 1745 1 1 6 ALA C C 16.364 1.796 3.393 1.00 . A A . 6 ALA C 1 1 9 1746 1 1 6 ALA CA C 16.843 2.129 1.983 1.00 . A A . 6 ALA CA 1 1 9 1747 1 1 6 ALA CB C 17.730 3.365 2.004 1.00 . A A . 6 ALA CB 1 1 9 1748 1 1 6 ALA H H 15.247 3.191 1.087 1.00 . A A . 6 ALA H 1 1 9 1749 1 1 6 ALA HA H 17.428 1.302 1.608 1.00 . A A . 6 ALA HA 1 1 9 1750 1 1 6 ALA HB1 H 18.298 3.414 1.086 1.00 . A A . 6 ALA HB1 1 1 9 1751 1 1 6 ALA HB2 H 17.115 4.248 2.095 1.00 . A A . 6 ALA HB2 1 1 9 1752 1 1 6 ALA HB3 H 18.407 3.308 2.843 1.00 . A A . 6 ALA HB3 1 1 9 1753 1 1 6 ALA N N 15.716 2.331 1.081 1.00 . A A . 6 ALA N 1 1 9 1754 1 1 6 ALA O O 15.166 1.654 3.634 1.00 . A A . 6 ALA O 1 1 9 1755 1 1 7 TRP C C 16.781 2.625 6.521 1.00 . A A . 7 TRP C 1 1 9 1756 1 1 7 TRP CA C 16.982 1.354 5.704 1.00 . A A . 7 TRP CA 1 1 9 1757 1 1 7 TRP CB C 18.089 0.502 6.328 1.00 . A A . 7 TRP CB 1 1 9 1758 1 1 7 TRP CD1 C 17.092 -1.629 5.311 1.00 . A A . 7 TRP CD1 1 1 9 1759 1 1 7 TRP CD2 C 18.249 -1.963 7.200 1.00 . A A . 7 TRP CD2 1 1 9 1760 1 1 7 TRP CE2 C 17.758 -3.204 6.748 1.00 . A A . 7 TRP CE2 1 1 9 1761 1 1 7 TRP CE3 C 19.009 -1.927 8.372 1.00 . A A . 7 TRP CE3 1 1 9 1762 1 1 7 TRP CG C 17.812 -0.970 6.266 1.00 . A A . 7 TRP CG 1 1 9 1763 1 1 7 TRP CH2 C 18.748 -4.328 8.573 1.00 . A A . 7 TRP CH2 1 1 9 1764 1 1 7 TRP CZ2 C 18.002 -4.394 7.429 1.00 . A A . 7 TRP CZ2 1 1 9 1765 1 1 7 TRP CZ3 C 19.250 -3.108 9.047 1.00 . A A . 7 TRP CZ3 1 1 9 1766 1 1 7 TRP H H 18.247 1.796 4.065 1.00 . A A . 7 TRP H 1 1 9 1767 1 1 7 TRP HA H 16.062 0.789 5.706 1.00 . A A . 7 TRP HA 1 1 9 1768 1 1 7 TRP HB2 H 19.016 0.689 5.806 1.00 . A A . 7 TRP HB2 1 1 9 1769 1 1 7 TRP HB3 H 18.203 0.778 7.366 1.00 . A A . 7 TRP HB3 1 1 9 1770 1 1 7 TRP HD1 H 16.624 -1.151 4.465 1.00 . A A . 7 TRP HD1 1 1 9 1771 1 1 7 TRP HE1 H 16.599 -3.655 5.058 1.00 . A A . 7 TRP HE1 1 1 9 1772 1 1 7 TRP HE3 H 19.404 -0.996 8.752 1.00 . A A . 7 TRP HE3 1 1 9 1773 1 1 7 TRP HH2 H 18.961 -5.226 9.133 1.00 . A A . 7 TRP HH2 1 1 9 1774 1 1 7 TRP HZ2 H 17.623 -5.342 7.076 1.00 . A A . 7 TRP HZ2 1 1 9 1775 1 1 7 TRP HZ3 H 19.835 -3.099 9.955 1.00 . A A . 7 TRP HZ3 1 1 9 1776 1 1 7 TRP N N 17.308 1.672 4.318 1.00 . A A . 7 TRP N 1 1 9 1777 1 1 7 TRP NE1 N 17.054 -2.973 5.595 1.00 . A A . 7 TRP NE1 1 1 9 1778 1 1 7 TRP O O 17.211 3.713 6.137 1.00 . A A . 7 TRP O 1 1 9 1779 1 1 8 PRO C C 14.429 0.701 7.294 1.00 . A A . 8 PRO C 1 1 9 1780 1 1 8 PRO CA C 15.594 1.199 8.142 1.00 . A A . 8 PRO CA 1 1 9 1781 1 1 8 PRO CB C 15.127 1.500 9.569 1.00 . A A . 8 PRO CB 1 1 9 1782 1 1 8 PRO CD C 15.808 3.582 8.613 1.00 . A A . 8 PRO CD 1 1 9 1783 1 1 8 PRO CG C 14.829 2.959 9.570 1.00 . A A . 8 PRO CG 1 1 9 1784 1 1 8 PRO HA H 16.368 0.446 8.166 1.00 . A A . 8 PRO HA 1 1 9 1785 1 1 8 PRO HB2 H 14.245 0.916 9.792 1.00 . A A . 8 PRO HB2 1 1 9 1786 1 1 8 PRO HB3 H 15.913 1.257 10.268 1.00 . A A . 8 PRO HB3 1 1 9 1787 1 1 8 PRO HD2 H 15.354 4.417 8.099 1.00 . A A . 8 PRO HD2 1 1 9 1788 1 1 8 PRO HD3 H 16.698 3.899 9.137 1.00 . A A . 8 PRO HD3 1 1 9 1789 1 1 8 PRO HG2 H 13.817 3.128 9.234 1.00 . A A . 8 PRO HG2 1 1 9 1790 1 1 8 PRO HG3 H 14.969 3.361 10.563 1.00 . A A . 8 PRO HG3 1 1 9 1791 1 1 8 PRO N N 16.111 2.489 7.675 1.00 . A A . 8 PRO N 1 1 9 1792 1 1 8 PRO O O 13.862 1.433 6.483 1.00 . A A . 8 PRO O 1 1 9 1793 1 1 9 PRO C C 11.599 -0.644 7.154 1.00 . A A . 9 PRO C 1 1 9 1794 1 1 9 PRO CA C 12.959 -1.199 6.745 1.00 . A A . 9 PRO CA 1 1 9 1795 1 1 9 PRO CB C 13.069 -2.678 7.126 1.00 . A A . 9 PRO CB 1 1 9 1796 1 1 9 PRO CD C 14.692 -1.507 8.434 1.00 . A A . 9 PRO CD 1 1 9 1797 1 1 9 PRO CG C 13.749 -2.678 8.452 1.00 . A A . 9 PRO CG 1 1 9 1798 1 1 9 PRO HA H 13.085 -1.091 5.678 1.00 . A A . 9 PRO HA 1 1 9 1799 1 1 9 PRO HB2 H 12.081 -3.111 7.188 1.00 . A A . 9 PRO HB2 1 1 9 1800 1 1 9 PRO HB3 H 13.652 -3.202 6.384 1.00 . A A . 9 PRO HB3 1 1 9 1801 1 1 9 PRO HD2 H 14.764 -1.065 9.417 1.00 . A A . 9 PRO HD2 1 1 9 1802 1 1 9 PRO HD3 H 15.667 -1.812 8.083 1.00 . A A . 9 PRO HD3 1 1 9 1803 1 1 9 PRO HG2 H 13.019 -2.560 9.239 1.00 . A A . 9 PRO HG2 1 1 9 1804 1 1 9 PRO HG3 H 14.298 -3.598 8.583 1.00 . A A . 9 PRO HG3 1 1 9 1805 1 1 9 PRO N N 14.061 -0.575 7.484 1.00 . A A . 9 PRO N 1 1 9 1806 1 1 9 PRO O O 10.892 -1.243 7.965 1.00 . A A . 9 PRO O 1 1 9 1807 1 1 10 ILE C C 9.083 1.228 5.653 1.00 . A A . 10 ILE C 1 1 9 1808 1 1 10 ILE CA C 9.963 1.138 6.895 1.00 . A A . 10 ILE CA 1 1 9 1809 1 1 10 ILE CB C 10.162 2.552 7.473 1.00 . A A . 10 ILE CB 1 1 9 1810 1 1 10 ILE CD1 C 10.406 1.661 9.845 1.00 . A A . 10 ILE CD1 1 1 9 1811 1 1 10 ILE CG1 C 11.018 2.492 8.739 1.00 . A A . 10 ILE CG1 1 1 9 1812 1 1 10 ILE CG2 C 8.816 3.197 7.767 1.00 . A A . 10 ILE CG2 1 1 9 1813 1 1 10 ILE H H 11.846 0.933 5.951 1.00 . A A . 10 ILE H 1 1 9 1814 1 1 10 ILE HA H 9.460 0.534 7.636 1.00 . A A . 10 ILE HA 1 1 9 1815 1 1 10 ILE HB H 10.667 3.152 6.732 1.00 . A A . 10 ILE HB 1 1 9 1816 1 1 10 ILE HD11 H 9.375 1.445 9.605 1.00 . A A . 10 ILE HD11 1 1 9 1817 1 1 10 ILE HD12 H 10.954 0.736 9.946 1.00 . A A . 10 ILE HD12 1 1 9 1818 1 1 10 ILE HD13 H 10.451 2.209 10.775 1.00 . A A . 10 ILE HD13 1 1 9 1819 1 1 10 ILE HG12 H 11.979 2.066 8.497 1.00 . A A . 10 ILE HG12 1 1 9 1820 1 1 10 ILE HG13 H 11.159 3.495 9.117 1.00 . A A . 10 ILE HG13 1 1 9 1821 1 1 10 ILE HG21 H 8.950 4.004 8.472 1.00 . A A . 10 ILE HG21 1 1 9 1822 1 1 10 ILE HG22 H 8.396 3.586 6.852 1.00 . A A . 10 ILE HG22 1 1 9 1823 1 1 10 ILE HG23 H 8.147 2.461 8.186 1.00 . A A . 10 ILE HG23 1 1 9 1824 1 1 10 ILE N N 11.239 0.504 6.589 1.00 . A A . 10 ILE N 1 1 9 1825 1 1 10 ILE O O 9.380 1.975 4.720 1.00 . A A . 10 ILE O 1 1 9 1826 1 1 11 CYS C C 5.624 0.445 5.007 1.00 . A A . 11 CYS C 1 1 9 1827 1 1 11 CYS CA C 7.071 0.456 4.522 1.00 . A A . 11 CYS CA 1 1 9 1828 1 1 11 CYS CB C 7.330 -0.758 3.628 1.00 . A A . 11 CYS CB 1 1 9 1829 1 1 11 CYS H H 7.813 -0.112 6.421 1.00 . A A . 11 CYS H 1 1 9 1830 1 1 11 CYS HA H 7.238 1.356 3.949 1.00 . A A . 11 CYS HA 1 1 9 1831 1 1 11 CYS HB2 H 6.962 -1.645 4.124 1.00 . A A . 11 CYS HB2 1 1 9 1832 1 1 11 CYS HB3 H 6.802 -0.629 2.695 1.00 . A A . 11 CYS HB3 1 1 9 1833 1 1 11 CYS N N 7.996 0.463 5.648 1.00 . A A . 11 CYS N 1 1 9 1834 1 1 11 CYS O O 5.342 0.063 6.143 1.00 . A A . 11 CYS O 1 1 9 1835 1 1 11 CYS SG S 9.088 -1.033 3.239 1.00 . A A . 11 CYS SG 1 1 9 1836 1 1 12 PHE C C 2.519 -0.157 3.704 1.00 . A A . 12 PHE C 1 1 9 1837 1 1 12 PHE CA C 3.293 0.906 4.478 1.00 . A A . 12 PHE CA 1 1 9 1838 1 1 12 PHE CB C 2.715 2.291 4.182 1.00 . A A . 12 PHE CB 1 1 9 1839 1 1 12 PHE CD1 C 1.803 3.541 6.158 1.00 . A A . 12 PHE CD1 1 1 9 1840 1 1 12 PHE CD2 C 4.081 3.892 5.548 1.00 . A A . 12 PHE CD2 1 1 9 1841 1 1 12 PHE CE1 C 1.942 4.432 7.205 1.00 . A A . 12 PHE CE1 1 1 9 1842 1 1 12 PHE CE2 C 4.227 4.783 6.594 1.00 . A A . 12 PHE CE2 1 1 9 1843 1 1 12 PHE CG C 2.869 3.260 5.319 1.00 . A A . 12 PHE CG 1 1 9 1844 1 1 12 PHE CZ C 3.156 5.055 7.423 1.00 . A A . 12 PHE CZ 1 1 9 1845 1 1 12 PHE H H 4.998 1.158 3.247 1.00 . A A . 12 PHE H 1 1 9 1846 1 1 12 PHE HA H 3.200 0.704 5.534 1.00 . A A . 12 PHE HA 1 1 9 1847 1 1 12 PHE HB2 H 3.216 2.707 3.322 1.00 . A A . 12 PHE HB2 1 1 9 1848 1 1 12 PHE HB3 H 1.661 2.195 3.968 1.00 . A A . 12 PHE HB3 1 1 9 1849 1 1 12 PHE HD1 H 0.853 3.054 5.988 1.00 . A A . 12 PHE HD1 1 1 9 1850 1 1 12 PHE HD2 H 4.920 3.681 4.900 1.00 . A A . 12 PHE HD2 1 1 9 1851 1 1 12 PHE HE1 H 1.103 4.642 7.851 1.00 . A A . 12 PHE HE1 1 1 9 1852 1 1 12 PHE HE2 H 5.176 5.269 6.762 1.00 . A A . 12 PHE HE2 1 1 9 1853 1 1 12 PHE HZ H 3.267 5.751 8.241 1.00 . A A . 12 PHE HZ 1 1 9 1854 1 1 12 PHE N N 4.711 0.866 4.138 1.00 . A A . 12 PHE N 1 1 9 1855 1 1 12 PHE O O 2.971 -0.667 2.679 1.00 . A A . 12 PHE O 1 1 9 1856 1 1 13 PRO C C -0.124 -1.022 2.254 1.00 . A A . 13 PRO C 1 1 9 1857 1 1 13 PRO CA C 0.460 -1.505 3.577 1.00 . A A . 13 PRO CA 1 1 9 1858 1 1 13 PRO CB C -0.652 -1.711 4.609 1.00 . A A . 13 PRO CB 1 1 9 1859 1 1 13 PRO CD C 0.721 0.068 5.424 1.00 . A A . 13 PRO CD 1 1 9 1860 1 1 13 PRO CG C -0.694 -0.438 5.381 1.00 . A A . 13 PRO CG 1 1 9 1861 1 1 13 PRO HA H 0.985 -2.436 3.420 1.00 . A A . 13 PRO HA 1 1 9 1862 1 1 13 PRO HB2 H -1.588 -1.898 4.101 1.00 . A A . 13 PRO HB2 1 1 9 1863 1 1 13 PRO HB3 H -0.408 -2.550 5.244 1.00 . A A . 13 PRO HB3 1 1 9 1864 1 1 13 PRO HD2 H 0.738 1.147 5.395 1.00 . A A . 13 PRO HD2 1 1 9 1865 1 1 13 PRO HD3 H 1.225 -0.296 6.307 1.00 . A A . 13 PRO HD3 1 1 9 1866 1 1 13 PRO HG2 H -1.332 0.274 4.879 1.00 . A A . 13 PRO HG2 1 1 9 1867 1 1 13 PRO HG3 H -1.055 -0.627 6.381 1.00 . A A . 13 PRO HG3 1 1 9 1868 1 1 13 PRO N N 1.323 -0.500 4.205 1.00 . A A . 13 PRO N 1 1 9 1869 1 1 13 PRO O O -0.263 -1.796 1.307 1.00 . A A . 13 PRO O 1 1 9 1870 1 1 14 ASP C C -0.177 0.514 -0.232 1.00 . A A . 14 ASP C 1 1 9 1871 1 1 14 ASP CA C -1.031 0.847 0.987 1.00 . A A . 14 ASP CA 1 1 9 1872 1 1 14 ASP CB C -1.154 2.364 1.140 1.00 . A A . 14 ASP CB 1 1 9 1873 1 1 14 ASP CG C 0.015 2.967 1.893 1.00 . A A . 14 ASP CG 1 1 9 1874 1 1 14 ASP H H -0.328 0.828 2.984 1.00 . A A . 14 ASP H 1 1 9 1875 1 1 14 ASP HA H -2.016 0.428 0.846 1.00 . A A . 14 ASP HA 1 1 9 1876 1 1 14 ASP HB2 H -1.197 2.816 0.159 1.00 . A A . 14 ASP HB2 1 1 9 1877 1 1 14 ASP HB3 H -2.062 2.593 1.677 1.00 . A A . 14 ASP HB3 1 1 9 1878 1 1 14 ASP N N -0.463 0.261 2.196 1.00 . A A . 14 ASP N 1 1 9 1879 1 1 14 ASP O O -0.700 0.220 -1.308 1.00 . A A . 14 ASP O 1 1 9 1880 1 1 14 ASP OD1 O 1.095 3.126 1.285 1.00 . A A . 14 ASP OD1 1 1 9 1881 1 1 14 ASP OD2 O -0.149 3.280 3.091 1.00 . A A . 14 ASP OD2 1 1 10 1882 1 1 1 GLY C C 3.705 0.651 -0.499 1.00 . A A . 1 GLY C 1 1 10 1883 1 1 1 GLY CA C 2.270 0.174 -0.402 1.00 . A A . 1 GLY CA 1 1 10 1884 1 1 1 GLY H1 H 1.842 1.715 0.986 1.00 . A A . 1 GLY H1 1 1 10 1885 1 1 1 GLY HA2 H 2.254 -0.795 0.074 1.00 . A A . 1 GLY HA2 1 1 10 1886 1 1 1 GLY HA3 H 1.866 0.080 -1.400 1.00 . A A . 1 GLY HA3 1 1 10 1887 1 1 1 GLY N N 1.432 1.084 0.358 1.00 . A A . 1 GLY N 1 1 10 1888 1 1 1 GLY O O 4.632 -0.157 -0.563 1.00 . A A . 1 GLY O 1 1 10 1889 1 1 2 ARG C C 6.117 2.045 0.527 1.00 . A A . 2 ARG C 1 1 10 1890 1 1 2 ARG CA C 5.223 2.550 -0.602 1.00 . A A . 2 ARG CA 1 1 10 1891 1 1 2 ARG CB C 5.139 4.077 -0.557 1.00 . A A . 2 ARG CB 1 1 10 1892 1 1 2 ARG CD C 4.092 6.171 -1.470 1.00 . A A . 2 ARG CD 1 1 10 1893 1 1 2 ARG CG C 4.265 4.671 -1.649 1.00 . A A . 2 ARG CG 1 1 10 1894 1 1 2 ARG CZ C 1.768 6.616 -2.136 1.00 . A A . 2 ARG CZ 1 1 10 1895 1 1 2 ARG H H 3.112 2.560 -0.456 1.00 . A A . 2 ARG H 1 1 10 1896 1 1 2 ARG HA H 5.652 2.250 -1.547 1.00 . A A . 2 ARG HA 1 1 10 1897 1 1 2 ARG HB2 H 4.736 4.376 0.399 1.00 . A A . 2 ARG HB2 1 1 10 1898 1 1 2 ARG HB3 H 6.134 4.483 -0.662 1.00 . A A . 2 ARG HB3 1 1 10 1899 1 1 2 ARG HD2 H 3.803 6.367 -0.448 1.00 . A A . 2 ARG HD2 1 1 10 1900 1 1 2 ARG HD3 H 5.035 6.656 -1.676 1.00 . A A . 2 ARG HD3 1 1 10 1901 1 1 2 ARG HE H 3.378 7.178 -3.171 1.00 . A A . 2 ARG HE 1 1 10 1902 1 1 2 ARG HG2 H 4.726 4.486 -2.608 1.00 . A A . 2 ARG HG2 1 1 10 1903 1 1 2 ARG HG3 H 3.295 4.199 -1.617 1.00 . A A . 2 ARG HG3 1 1 10 1904 1 1 2 ARG HH11 H 1.976 5.604 -0.400 1.00 . A A . 2 ARG HH11 1 1 10 1905 1 1 2 ARG HH12 H 0.343 5.924 -0.881 1.00 . A A . 2 ARG HH12 1 1 10 1906 1 1 2 ARG HH21 H 1.232 7.605 -3.815 1.00 . A A . 2 ARG HH21 1 1 10 1907 1 1 2 ARG HH22 H -0.080 7.062 -2.824 1.00 . A A . 2 ARG HH22 1 1 10 1908 1 1 2 ARG N N 3.890 1.967 -0.510 1.00 . A A . 2 ARG N 1 1 10 1909 1 1 2 ARG NE N 3.073 6.716 -2.363 1.00 . A A . 2 ARG NE 1 1 10 1910 1 1 2 ARG NH1 N 1.326 5.997 -1.050 1.00 . A A . 2 ARG NH1 1 1 10 1911 1 1 2 ARG NH2 N 0.902 7.137 -2.996 1.00 . A A . 2 ARG NH2 1 1 10 1912 1 1 2 ARG O O 5.649 1.792 1.637 1.00 . A A . 2 ARG O 1 1 10 1913 1 1 3 CYS C C 9.589 2.337 1.276 1.00 . A A . 3 CYS C 1 1 10 1914 1 1 3 CYS CA C 8.366 1.426 1.224 1.00 . A A . 3 CYS CA 1 1 10 1915 1 1 3 CYS CB C 8.796 -0.006 0.901 1.00 . A A . 3 CYS CB 1 1 10 1916 1 1 3 CYS H H 7.719 2.120 -0.668 1.00 . A A . 3 CYS H 1 1 10 1917 1 1 3 CYS HA H 7.882 1.439 2.189 1.00 . A A . 3 CYS HA 1 1 10 1918 1 1 3 CYS HB2 H 7.921 -0.588 0.649 1.00 . A A . 3 CYS HB2 1 1 10 1919 1 1 3 CYS HB3 H 9.467 0.010 0.055 1.00 . A A . 3 CYS HB3 1 1 10 1920 1 1 3 CYS N N 7.406 1.901 0.235 1.00 . A A . 3 CYS N 1 1 10 1921 1 1 3 CYS O O 9.901 3.032 0.309 1.00 . A A . 3 CYS O 1 1 10 1922 1 1 3 CYS SG S 9.647 -0.853 2.271 1.00 . A A . 3 CYS SG 1 1 10 1923 1 1 4 THR C C 12.651 2.588 1.816 1.00 . A A . 4 THR C 1 1 10 1924 1 1 4 THR CA C 11.467 3.153 2.592 1.00 . A A . 4 THR CA 1 1 10 1925 1 1 4 THR CB C 11.851 3.269 4.079 1.00 . A A . 4 THR CB 1 1 10 1926 1 1 4 THR CG2 C 10.917 4.226 4.806 1.00 . A A . 4 THR CG2 1 1 10 1927 1 1 4 THR H H 9.980 1.753 3.147 1.00 . A A . 4 THR H 1 1 10 1928 1 1 4 THR HA H 11.245 4.143 2.220 1.00 . A A . 4 THR HA 1 1 10 1929 1 1 4 THR HB H 12.859 3.653 4.146 1.00 . A A . 4 THR HB 1 1 10 1930 1 1 4 THR HG1 H 12.640 1.533 4.579 1.00 . A A . 4 THR HG1 1 1 10 1931 1 1 4 THR HG21 H 10.880 5.166 4.274 1.00 . A A . 4 THR HG21 1 1 10 1932 1 1 4 THR HG22 H 11.283 4.393 5.808 1.00 . A A . 4 THR HG22 1 1 10 1933 1 1 4 THR HG23 H 9.927 3.798 4.850 1.00 . A A . 4 THR HG23 1 1 10 1934 1 1 4 THR N N 10.279 2.328 2.412 1.00 . A A . 4 THR N 1 1 10 1935 1 1 4 THR O O 13.112 1.481 2.091 1.00 . A A . 4 THR O 1 1 10 1936 1 1 4 THR OG1 O 11.799 1.980 4.700 1.00 . A A . 4 THR OG1 1 1 10 1937 1 1 5 GLN C C 15.474 2.595 0.903 1.00 . A A . 5 GLN C 1 1 10 1938 1 1 5 GLN CA C 14.269 2.930 0.030 1.00 . A A . 5 GLN CA 1 1 10 1939 1 1 5 GLN CB C 14.640 4.022 -0.974 1.00 . A A . 5 GLN CB 1 1 10 1940 1 1 5 GLN CD C 15.333 4.359 -3.381 1.00 . A A . 5 GLN CD 1 1 10 1941 1 1 5 GLN CG C 15.497 3.523 -2.126 1.00 . A A . 5 GLN CG 1 1 10 1942 1 1 5 GLN H H 12.727 4.228 0.675 1.00 . A A . 5 GLN H 1 1 10 1943 1 1 5 GLN HA H 13.973 2.043 -0.509 1.00 . A A . 5 GLN HA 1 1 10 1944 1 1 5 GLN HB2 H 13.733 4.441 -1.384 1.00 . A A . 5 GLN HB2 1 1 10 1945 1 1 5 GLN HB3 H 15.185 4.799 -0.459 1.00 . A A . 5 GLN HB3 1 1 10 1946 1 1 5 GLN HE21 H 14.476 2.829 -4.317 1.00 . A A . 5 GLN HE21 1 1 10 1947 1 1 5 GLN HE22 H 14.639 4.279 -5.242 1.00 . A A . 5 GLN HE22 1 1 10 1948 1 1 5 GLN HG2 H 16.534 3.553 -1.826 1.00 . A A . 5 GLN HG2 1 1 10 1949 1 1 5 GLN HG3 H 15.218 2.504 -2.350 1.00 . A A . 5 GLN HG3 1 1 10 1950 1 1 5 GLN N N 13.138 3.356 0.846 1.00 . A A . 5 GLN N 1 1 10 1951 1 1 5 GLN NE2 N 14.759 3.762 -4.419 1.00 . A A . 5 GLN NE2 1 1 10 1952 1 1 5 GLN O O 16.231 1.672 0.605 1.00 . A A . 5 GLN O 1 1 10 1953 1 1 5 GLN OE1 O 15.718 5.527 -3.417 1.00 . A A . 5 GLN OE1 1 1 10 1954 1 1 6 ALA C C 16.316 2.328 4.116 1.00 . A A . 6 ALA C 1 1 10 1955 1 1 6 ALA CA C 16.757 3.134 2.899 1.00 . A A . 6 ALA CA 1 1 10 1956 1 1 6 ALA CB C 17.352 4.465 3.333 1.00 . A A . 6 ALA CB 1 1 10 1957 1 1 6 ALA H H 15.008 4.073 2.166 1.00 . A A . 6 ALA H 1 1 10 1958 1 1 6 ALA HA H 17.521 2.581 2.372 1.00 . A A . 6 ALA HA 1 1 10 1959 1 1 6 ALA HB1 H 18.428 4.424 3.243 1.00 . A A . 6 ALA HB1 1 1 10 1960 1 1 6 ALA HB2 H 16.969 5.253 2.702 1.00 . A A . 6 ALA HB2 1 1 10 1961 1 1 6 ALA HB3 H 17.084 4.662 4.360 1.00 . A A . 6 ALA HB3 1 1 10 1962 1 1 6 ALA N N 15.645 3.352 1.982 1.00 . A A . 6 ALA N 1 1 10 1963 1 1 6 ALA O O 15.211 1.785 4.145 1.00 . A A . 6 ALA O 1 1 10 1964 1 1 7 TRP C C 16.457 2.458 7.457 1.00 . A A . 7 TRP C 1 1 10 1965 1 1 7 TRP CA C 16.883 1.514 6.338 1.00 . A A . 7 TRP CA 1 1 10 1966 1 1 7 TRP CB C 18.100 0.699 6.777 1.00 . A A . 7 TRP CB 1 1 10 1967 1 1 7 TRP CD1 C 17.551 -1.160 5.101 1.00 . A A . 7 TRP CD1 1 1 10 1968 1 1 7 TRP CD2 C 18.609 -1.866 6.945 1.00 . A A . 7 TRP CD2 1 1 10 1969 1 1 7 TRP CE2 C 18.367 -2.977 6.113 1.00 . A A . 7 TRP CE2 1 1 10 1970 1 1 7 TRP CE3 C 19.265 -2.067 8.163 1.00 . A A . 7 TRP CE3 1 1 10 1971 1 1 7 TRP CG C 18.079 -0.714 6.279 1.00 . A A . 7 TRP CG 1 1 10 1972 1 1 7 TRP CH2 C 19.398 -4.434 7.659 1.00 . A A . 7 TRP CH2 1 1 10 1973 1 1 7 TRP CZ2 C 18.758 -4.267 6.462 1.00 . A A . 7 TRP CZ2 1 1 10 1974 1 1 7 TRP CZ3 C 19.652 -3.348 8.507 1.00 . A A . 7 TRP CZ3 1 1 10 1975 1 1 7 TRP H H 18.049 2.710 5.036 1.00 . A A . 7 TRP H 1 1 10 1976 1 1 7 TRP HA H 16.068 0.840 6.122 1.00 . A A . 7 TRP HA 1 1 10 1977 1 1 7 TRP HB2 H 18.996 1.171 6.404 1.00 . A A . 7 TRP HB2 1 1 10 1978 1 1 7 TRP HB3 H 18.135 0.672 7.857 1.00 . A A . 7 TRP HB3 1 1 10 1979 1 1 7 TRP HD1 H 17.072 -0.526 4.371 1.00 . A A . 7 TRP HD1 1 1 10 1980 1 1 7 TRP HE1 H 17.427 -3.072 4.240 1.00 . A A . 7 TRP HE1 1 1 10 1981 1 1 7 TRP HE3 H 19.469 -1.242 8.830 1.00 . A A . 7 TRP HE3 1 1 10 1982 1 1 7 TRP HH2 H 19.718 -5.417 7.969 1.00 . A A . 7 TRP HH2 1 1 10 1983 1 1 7 TRP HZ2 H 18.570 -5.114 5.819 1.00 . A A . 7 TRP HZ2 1 1 10 1984 1 1 7 TRP HZ3 H 20.160 -3.522 9.444 1.00 . A A . 7 TRP HZ3 1 1 10 1985 1 1 7 TRP N N 17.184 2.255 5.118 1.00 . A A . 7 TRP N 1 1 10 1986 1 1 7 TRP NE1 N 17.720 -2.520 4.995 1.00 . A A . 7 TRP NE1 1 1 10 1987 1 1 7 TRP O O 16.717 3.661 7.419 1.00 . A A . 7 TRP O 1 1 10 1988 1 1 8 PRO C C 14.425 0.070 7.499 1.00 . A A . 8 PRO C 1 1 10 1989 1 1 8 PRO CA C 15.470 0.473 8.533 1.00 . A A . 8 PRO CA 1 1 10 1990 1 1 8 PRO CB C 14.922 0.286 9.949 1.00 . A A . 8 PRO CB 1 1 10 1991 1 1 8 PRO CD C 15.285 2.630 9.656 1.00 . A A . 8 PRO CD 1 1 10 1992 1 1 8 PRO CG C 14.393 1.626 10.331 1.00 . A A . 8 PRO CG 1 1 10 1993 1 1 8 PRO HA H 16.355 -0.134 8.404 1.00 . A A . 8 PRO HA 1 1 10 1994 1 1 8 PRO HB2 H 14.139 -0.460 9.939 1.00 . A A . 8 PRO HB2 1 1 10 1995 1 1 8 PRO HB3 H 15.717 -0.027 10.609 1.00 . A A . 8 PRO HB3 1 1 10 1996 1 1 8 PRO HD2 H 14.717 3.500 9.360 1.00 . A A . 8 PRO HD2 1 1 10 1997 1 1 8 PRO HD3 H 16.098 2.912 10.309 1.00 . A A . 8 PRO HD3 1 1 10 1998 1 1 8 PRO HG2 H 13.377 1.732 9.983 1.00 . A A . 8 PRO HG2 1 1 10 1999 1 1 8 PRO HG3 H 14.439 1.746 11.404 1.00 . A A . 8 PRO HG3 1 1 10 2000 1 1 8 PRO N N 15.787 1.904 8.478 1.00 . A A . 8 PRO N 1 1 10 2001 1 1 8 PRO O O 13.738 0.909 6.915 1.00 . A A . 8 PRO O 1 1 10 2002 1 1 9 PRO C C 11.895 -1.634 6.771 1.00 . A A . 9 PRO C 1 1 10 2003 1 1 9 PRO CA C 13.338 -1.788 6.301 1.00 . A A . 9 PRO CA 1 1 10 2004 1 1 9 PRO CB C 13.717 -3.269 6.218 1.00 . A A . 9 PRO CB 1 1 10 2005 1 1 9 PRO CD C 15.084 -2.301 7.924 1.00 . A A . 9 PRO CD 1 1 10 2006 1 1 9 PRO CG C 14.375 -3.565 7.522 1.00 . A A . 9 PRO CG 1 1 10 2007 1 1 9 PRO HA H 13.449 -1.331 5.329 1.00 . A A . 9 PRO HA 1 1 10 2008 1 1 9 PRO HB2 H 12.826 -3.865 6.080 1.00 . A A . 9 PRO HB2 1 1 10 2009 1 1 9 PRO HB3 H 14.393 -3.425 5.391 1.00 . A A . 9 PRO HB3 1 1 10 2010 1 1 9 PRO HD2 H 15.066 -2.183 8.997 1.00 . A A . 9 PRO HD2 1 1 10 2011 1 1 9 PRO HD3 H 16.102 -2.308 7.561 1.00 . A A . 9 PRO HD3 1 1 10 2012 1 1 9 PRO HG2 H 13.630 -3.827 8.258 1.00 . A A . 9 PRO HG2 1 1 10 2013 1 1 9 PRO HG3 H 15.084 -4.370 7.400 1.00 . A A . 9 PRO HG3 1 1 10 2014 1 1 9 PRO N N 14.299 -1.244 7.265 1.00 . A A . 9 PRO N 1 1 10 2015 1 1 9 PRO O O 11.304 -2.571 7.308 1.00 . A A . 9 PRO O 1 1 10 2016 1 1 10 ILE C C 9.090 0.158 5.757 1.00 . A A . 10 ILE C 1 1 10 2017 1 1 10 ILE CA C 9.960 -0.172 6.965 1.00 . A A . 10 ILE CA 1 1 10 2018 1 1 10 ILE CB C 9.890 0.995 7.968 1.00 . A A . 10 ILE CB 1 1 10 2019 1 1 10 ILE CD1 C 8.279 1.913 9.712 1.00 . A A . 10 ILE CD1 1 1 10 2020 1 1 10 ILE CG1 C 8.435 1.285 8.345 1.00 . A A . 10 ILE CG1 1 1 10 2021 1 1 10 ILE CG2 C 10.549 2.235 7.385 1.00 . A A . 10 ILE CG2 1 1 10 2022 1 1 10 ILE H H 11.857 0.260 6.131 1.00 . A A . 10 ILE H 1 1 10 2023 1 1 10 ILE HA H 9.570 -1.058 7.445 1.00 . A A . 10 ILE HA 1 1 10 2024 1 1 10 ILE HB H 10.434 0.710 8.856 1.00 . A A . 10 ILE HB 1 1 10 2025 1 1 10 ILE HD11 H 8.010 1.152 10.430 1.00 . A A . 10 ILE HD11 1 1 10 2026 1 1 10 ILE HD12 H 9.210 2.374 10.006 1.00 . A A . 10 ILE HD12 1 1 10 2027 1 1 10 ILE HD13 H 7.502 2.663 9.677 1.00 . A A . 10 ILE HD13 1 1 10 2028 1 1 10 ILE HG12 H 8.010 1.960 7.620 1.00 . A A . 10 ILE HG12 1 1 10 2029 1 1 10 ILE HG13 H 7.878 0.359 8.338 1.00 . A A . 10 ILE HG13 1 1 10 2030 1 1 10 ILE HG21 H 10.675 2.975 8.162 1.00 . A A . 10 ILE HG21 1 1 10 2031 1 1 10 ILE HG22 H 11.515 1.973 6.980 1.00 . A A . 10 ILE HG22 1 1 10 2032 1 1 10 ILE HG23 H 9.927 2.639 6.601 1.00 . A A . 10 ILE HG23 1 1 10 2033 1 1 10 ILE N N 11.334 -0.447 6.564 1.00 . A A . 10 ILE N 1 1 10 2034 1 1 10 ILE O O 9.384 1.085 5.002 1.00 . A A . 10 ILE O 1 1 10 2035 1 1 11 CYS C C 5.735 0.063 4.963 1.00 . A A . 11 CYS C 1 1 10 2036 1 1 11 CYS CA C 7.103 -0.395 4.466 1.00 . A A . 11 CYS CA 1 1 10 2037 1 1 11 CYS CB C 6.957 -1.680 3.649 1.00 . A A . 11 CYS CB 1 1 10 2038 1 1 11 CYS H H 7.836 -1.330 6.217 1.00 . A A . 11 CYS H 1 1 10 2039 1 1 11 CYS HA H 7.519 0.376 3.836 1.00 . A A . 11 CYS HA 1 1 10 2040 1 1 11 CYS HB2 H 6.533 -2.450 4.276 1.00 . A A . 11 CYS HB2 1 1 10 2041 1 1 11 CYS HB3 H 6.293 -1.495 2.817 1.00 . A A . 11 CYS HB3 1 1 10 2042 1 1 11 CYS N N 8.018 -0.606 5.581 1.00 . A A . 11 CYS N 1 1 10 2043 1 1 11 CYS O O 5.225 -0.443 5.964 1.00 . A A . 11 CYS O 1 1 10 2044 1 1 11 CYS SG S 8.526 -2.316 2.977 1.00 . A A . 11 CYS SG 1 1 10 2045 1 1 12 PHE C C 2.727 0.583 4.222 1.00 . A A . 12 PHE C 1 1 10 2046 1 1 12 PHE CA C 3.836 1.549 4.628 1.00 . A A . 12 PHE CA 1 1 10 2047 1 1 12 PHE CB C 3.607 2.911 3.970 1.00 . A A . 12 PHE CB 1 1 10 2048 1 1 12 PHE CD1 C 3.767 4.234 6.097 1.00 . A A . 12 PHE CD1 1 1 10 2049 1 1 12 PHE CD2 C 5.017 4.973 4.206 1.00 . A A . 12 PHE CD2 1 1 10 2050 1 1 12 PHE CE1 C 4.256 5.292 6.839 1.00 . A A . 12 PHE CE1 1 1 10 2051 1 1 12 PHE CE2 C 5.511 6.033 4.944 1.00 . A A . 12 PHE CE2 1 1 10 2052 1 1 12 PHE CG C 4.141 4.062 4.774 1.00 . A A . 12 PHE CG 1 1 10 2053 1 1 12 PHE CZ C 5.129 6.193 6.262 1.00 . A A . 12 PHE CZ 1 1 10 2054 1 1 12 PHE H H 5.602 1.385 3.470 1.00 . A A . 12 PHE H 1 1 10 2055 1 1 12 PHE HA H 3.819 1.669 5.700 1.00 . A A . 12 PHE HA 1 1 10 2056 1 1 12 PHE HB2 H 4.095 2.925 3.007 1.00 . A A . 12 PHE HB2 1 1 10 2057 1 1 12 PHE HB3 H 2.547 3.063 3.834 1.00 . A A . 12 PHE HB3 1 1 10 2058 1 1 12 PHE HD1 H 3.083 3.529 6.550 1.00 . A A . 12 PHE HD1 1 1 10 2059 1 1 12 PHE HD2 H 5.316 4.850 3.175 1.00 . A A . 12 PHE HD2 1 1 10 2060 1 1 12 PHE HE1 H 3.956 5.413 7.869 1.00 . A A . 12 PHE HE1 1 1 10 2061 1 1 12 PHE HE2 H 6.193 6.736 4.490 1.00 . A A . 12 PHE HE2 1 1 10 2062 1 1 12 PHE HZ H 5.513 7.020 6.840 1.00 . A A . 12 PHE HZ 1 1 10 2063 1 1 12 PHE N N 5.145 1.022 4.258 1.00 . A A . 12 PHE N 1 1 10 2064 1 1 12 PHE O O 2.908 -0.289 3.372 1.00 . A A . 12 PHE O 1 1 10 2065 1 1 13 PRO C C -0.200 0.148 3.183 1.00 . A A . 13 PRO C 1 1 10 2066 1 1 13 PRO CA C 0.387 -0.109 4.567 1.00 . A A . 13 PRO CA 1 1 10 2067 1 1 13 PRO CB C -0.613 0.292 5.654 1.00 . A A . 13 PRO CB 1 1 10 2068 1 1 13 PRO CD C 1.262 1.758 5.869 1.00 . A A . 13 PRO CD 1 1 10 2069 1 1 13 PRO CG C -0.231 1.683 6.027 1.00 . A A . 13 PRO CG 1 1 10 2070 1 1 13 PRO HA H 0.628 -1.157 4.665 1.00 . A A . 13 PRO HA 1 1 10 2071 1 1 13 PRO HB2 H -1.617 0.250 5.257 1.00 . A A . 13 PRO HB2 1 1 10 2072 1 1 13 PRO HB3 H -0.524 -0.380 6.495 1.00 . A A . 13 PRO HB3 1 1 10 2073 1 1 13 PRO HD2 H 1.557 2.740 5.530 1.00 . A A . 13 PRO HD2 1 1 10 2074 1 1 13 PRO HD3 H 1.753 1.516 6.801 1.00 . A A . 13 PRO HD3 1 1 10 2075 1 1 13 PRO HG2 H -0.714 2.386 5.365 1.00 . A A . 13 PRO HG2 1 1 10 2076 1 1 13 PRO HG3 H -0.510 1.877 7.052 1.00 . A A . 13 PRO HG3 1 1 10 2077 1 1 13 PRO N N 1.550 0.740 4.845 1.00 . A A . 13 PRO N 1 1 10 2078 1 1 13 PRO O O -0.710 -0.766 2.535 1.00 . A A . 13 PRO O 1 1 10 2079 1 1 14 ASP C C 0.090 1.033 0.315 1.00 . A A . 14 ASP C 1 1 10 2080 1 1 14 ASP CA C -0.646 1.773 1.427 1.00 . A A . 14 ASP CA 1 1 10 2081 1 1 14 ASP CB C -0.522 3.284 1.220 1.00 . A A . 14 ASP CB 1 1 10 2082 1 1 14 ASP CG C 0.824 3.821 1.668 1.00 . A A . 14 ASP CG 1 1 10 2083 1 1 14 ASP H H 0.295 2.081 3.299 1.00 . A A . 14 ASP H 1 1 10 2084 1 1 14 ASP HA H -1.689 1.500 1.396 1.00 . A A . 14 ASP HA 1 1 10 2085 1 1 14 ASP HB2 H -0.647 3.508 0.171 1.00 . A A . 14 ASP HB2 1 1 10 2086 1 1 14 ASP HB3 H -1.295 3.783 1.786 1.00 . A A . 14 ASP HB3 1 1 10 2087 1 1 14 ASP N N -0.123 1.397 2.736 1.00 . A A . 14 ASP N 1 1 10 2088 1 1 14 ASP O O -0.510 0.647 -0.690 1.00 . A A . 14 ASP O 1 1 10 2089 1 1 14 ASP OD1 O 1.785 3.750 0.874 1.00 . A A . 14 ASP OD1 1 1 10 2090 1 1 14 ASP OD2 O 0.915 4.312 2.812 1.00 . A A . 14 ASP OD2 1 1 11 2091 1 1 1 GLY C C 3.249 1.145 -0.998 1.00 . A A . 1 GLY C 1 1 11 2092 1 1 1 GLY CA C 1.937 0.433 -1.259 1.00 . A A . 1 GLY CA 1 1 11 2093 1 1 1 GLY H1 H 1.687 0.066 0.812 1.00 . A A . 1 GLY H1 1 1 11 2094 1 1 1 GLY HA2 H 2.139 -0.499 -1.765 1.00 . A A . 1 GLY HA2 1 1 11 2095 1 1 1 GLY HA3 H 1.325 1.053 -1.898 1.00 . A A . 1 GLY HA3 1 1 11 2096 1 1 1 GLY N N 1.205 0.154 -0.037 1.00 . A A . 1 GLY N 1 1 11 2097 1 1 1 GLY O O 4.312 0.665 -1.391 1.00 . A A . 1 GLY O 1 1 11 2098 1 1 2 ARG C C 5.419 2.213 0.662 1.00 . A A . 2 ARG C 1 1 11 2099 1 1 2 ARG CA C 4.367 3.077 -0.027 1.00 . A A . 2 ARG CA 1 1 11 2100 1 1 2 ARG CB C 4.005 4.266 0.865 1.00 . A A . 2 ARG CB 1 1 11 2101 1 1 2 ARG CD C 6.059 5.246 1.931 1.00 . A A . 2 ARG CD 1 1 11 2102 1 1 2 ARG CG C 5.027 5.391 0.824 1.00 . A A . 2 ARG CG 1 1 11 2103 1 1 2 ARG CZ C 7.604 7.093 1.436 1.00 . A A . 2 ARG CZ 1 1 11 2104 1 1 2 ARG H H 2.299 2.627 -0.049 1.00 . A A . 2 ARG H 1 1 11 2105 1 1 2 ARG HA H 4.773 3.445 -0.957 1.00 . A A . 2 ARG HA 1 1 11 2106 1 1 2 ARG HB2 H 3.053 4.664 0.546 1.00 . A A . 2 ARG HB2 1 1 11 2107 1 1 2 ARG HB3 H 3.920 3.923 1.885 1.00 . A A . 2 ARG HB3 1 1 11 2108 1 1 2 ARG HD2 H 5.705 5.771 2.806 1.00 . A A . 2 ARG HD2 1 1 11 2109 1 1 2 ARG HD3 H 6.174 4.198 2.163 1.00 . A A . 2 ARG HD3 1 1 11 2110 1 1 2 ARG HE H 8.079 5.157 1.357 1.00 . A A . 2 ARG HE 1 1 11 2111 1 1 2 ARG HG2 H 5.534 5.370 -0.130 1.00 . A A . 2 ARG HG2 1 1 11 2112 1 1 2 ARG HG3 H 4.515 6.334 0.941 1.00 . A A . 2 ARG HG3 1 1 11 2113 1 1 2 ARG HH11 H 5.737 7.663 1.955 1.00 . A A . 2 ARG HH11 1 1 11 2114 1 1 2 ARG HH12 H 6.836 8.955 1.604 1.00 . A A . 2 ARG HH12 1 1 11 2115 1 1 2 ARG HH21 H 9.536 6.850 0.892 1.00 . A A . 2 ARG HH21 1 1 11 2116 1 1 2 ARG HH22 H 8.996 8.491 0.998 1.00 . A A . 2 ARG HH22 1 1 11 2117 1 1 2 ARG N N 3.175 2.295 -0.336 1.00 . A A . 2 ARG N 1 1 11 2118 1 1 2 ARG NE N 7.357 5.792 1.545 1.00 . A A . 2 ARG NE 1 1 11 2119 1 1 2 ARG NH1 N 6.647 7.976 1.685 1.00 . A A . 2 ARG NH1 1 1 11 2120 1 1 2 ARG NH2 N 8.811 7.512 1.080 1.00 . A A . 2 ARG NH2 1 1 11 2121 1 1 2 ARG O O 5.090 1.306 1.427 1.00 . A A . 2 ARG O 1 1 11 2122 1 1 3 CYS C C 9.095 2.533 0.876 1.00 . A A . 3 CYS C 1 1 11 2123 1 1 3 CYS CA C 7.788 1.751 0.976 1.00 . A A . 3 CYS CA 1 1 11 2124 1 1 3 CYS CB C 7.939 0.395 0.285 1.00 . A A . 3 CYS CB 1 1 11 2125 1 1 3 CYS H H 6.886 3.236 -0.232 1.00 . A A . 3 CYS H 1 1 11 2126 1 1 3 CYS HA H 7.559 1.590 2.019 1.00 . A A . 3 CYS HA 1 1 11 2127 1 1 3 CYS HB2 H 7.005 -0.144 0.359 1.00 . A A . 3 CYS HB2 1 1 11 2128 1 1 3 CYS HB3 H 8.174 0.554 -0.757 1.00 . A A . 3 CYS HB3 1 1 11 2129 1 1 3 CYS N N 6.687 2.501 0.385 1.00 . A A . 3 CYS N 1 1 11 2130 1 1 3 CYS O O 9.324 3.260 -0.092 1.00 . A A . 3 CYS O 1 1 11 2131 1 1 3 CYS SG S 9.243 -0.661 0.994 1.00 . A A . 3 CYS SG 1 1 11 2132 1 1 4 THR C C 12.321 2.235 1.246 1.00 . A A . 4 THR C 1 1 11 2133 1 1 4 THR CA C 11.232 3.071 1.908 1.00 . A A . 4 THR CA 1 1 11 2134 1 1 4 THR CB C 11.662 3.404 3.350 1.00 . A A . 4 THR CB 1 1 11 2135 1 1 4 THR CG2 C 10.692 4.385 3.990 1.00 . A A . 4 THR CG2 1 1 11 2136 1 1 4 THR H H 9.710 1.787 2.625 1.00 . A A . 4 THR H 1 1 11 2137 1 1 4 THR HA H 11.122 3.998 1.364 1.00 . A A . 4 THR HA 1 1 11 2138 1 1 4 THR HB H 12.643 3.857 3.321 1.00 . A A . 4 THR HB 1 1 11 2139 1 1 4 THR HG1 H 12.215 1.535 3.652 1.00 . A A . 4 THR HG1 1 1 11 2140 1 1 4 THR HG21 H 9.704 3.951 4.015 1.00 . A A . 4 THR HG21 1 1 11 2141 1 1 4 THR HG22 H 10.670 5.298 3.414 1.00 . A A . 4 THR HG22 1 1 11 2142 1 1 4 THR HG23 H 11.014 4.603 4.997 1.00 . A A . 4 THR HG23 1 1 11 2143 1 1 4 THR N N 9.949 2.380 1.882 1.00 . A A . 4 THR N 1 1 11 2144 1 1 4 THR O O 12.622 1.128 1.690 1.00 . A A . 4 THR O 1 1 11 2145 1 1 4 THR OG1 O 11.723 2.206 4.132 1.00 . A A . 4 THR OG1 1 1 11 2146 1 1 5 GLN C C 15.164 1.816 0.363 1.00 . A A . 5 GLN C 1 1 11 2147 1 1 5 GLN CA C 13.964 2.075 -0.542 1.00 . A A . 5 GLN CA 1 1 11 2148 1 1 5 GLN CB C 14.397 2.887 -1.764 1.00 . A A . 5 GLN CB 1 1 11 2149 1 1 5 GLN CD C 16.123 3.062 -3.601 1.00 . A A . 5 GLN CD 1 1 11 2150 1 1 5 GLN CG C 15.340 2.137 -2.690 1.00 . A A . 5 GLN CG 1 1 11 2151 1 1 5 GLN H H 12.624 3.659 -0.125 1.00 . A A . 5 GLN H 1 1 11 2152 1 1 5 GLN HA H 13.568 1.127 -0.874 1.00 . A A . 5 GLN HA 1 1 11 2153 1 1 5 GLN HB2 H 13.519 3.164 -2.327 1.00 . A A . 5 GLN HB2 1 1 11 2154 1 1 5 GLN HB3 H 14.897 3.783 -1.427 1.00 . A A . 5 GLN HB3 1 1 11 2155 1 1 5 GLN HE21 H 16.742 1.514 -4.684 1.00 . A A . 5 GLN HE21 1 1 11 2156 1 1 5 GLN HE22 H 17.305 3.063 -5.199 1.00 . A A . 5 GLN HE22 1 1 11 2157 1 1 5 GLN HG2 H 16.039 1.572 -2.091 1.00 . A A . 5 GLN HG2 1 1 11 2158 1 1 5 GLN HG3 H 14.761 1.459 -3.300 1.00 . A A . 5 GLN HG3 1 1 11 2159 1 1 5 GLN N N 12.908 2.773 0.181 1.00 . A A . 5 GLN N 1 1 11 2160 1 1 5 GLN NE2 N 16.792 2.489 -4.595 1.00 . A A . 5 GLN NE2 1 1 11 2161 1 1 5 GLN O O 15.743 0.730 0.347 1.00 . A A . 5 GLN O 1 1 11 2162 1 1 5 GLN OE1 O 16.127 4.279 -3.414 1.00 . A A . 5 GLN OE1 1 1 11 2163 1 1 6 ALA C C 16.217 2.178 3.424 1.00 . A A . 6 ALA C 1 1 11 2164 1 1 6 ALA CA C 16.663 2.701 2.063 1.00 . A A . 6 ALA CA 1 1 11 2165 1 1 6 ALA CB C 17.363 4.044 2.215 1.00 . A A . 6 ALA CB 1 1 11 2166 1 1 6 ALA H H 15.032 3.662 1.117 1.00 . A A . 6 ALA H 1 1 11 2167 1 1 6 ALA HA H 17.367 2.003 1.633 1.00 . A A . 6 ALA HA 1 1 11 2168 1 1 6 ALA HB1 H 16.736 4.712 2.787 1.00 . A A . 6 ALA HB1 1 1 11 2169 1 1 6 ALA HB2 H 18.303 3.903 2.728 1.00 . A A . 6 ALA HB2 1 1 11 2170 1 1 6 ALA HB3 H 17.545 4.467 1.239 1.00 . A A . 6 ALA HB3 1 1 11 2171 1 1 6 ALA N N 15.533 2.821 1.150 1.00 . A A . 6 ALA N 1 1 11 2172 1 1 6 ALA O O 15.082 1.727 3.584 1.00 . A A . 6 ALA O 1 1 11 2173 1 1 7 TRP C C 16.486 2.939 6.670 1.00 . A A . 7 TRP C 1 1 11 2174 1 1 7 TRP CA C 16.813 1.770 5.747 1.00 . A A . 7 TRP CA 1 1 11 2175 1 1 7 TRP CB C 17.993 0.975 6.309 1.00 . A A . 7 TRP CB 1 1 11 2176 1 1 7 TRP CD1 C 17.238 -1.133 5.061 1.00 . A A . 7 TRP CD1 1 1 11 2177 1 1 7 TRP CD2 C 18.381 -1.537 6.944 1.00 . A A . 7 TRP CD2 1 1 11 2178 1 1 7 TRP CE2 C 18.028 -2.769 6.359 1.00 . A A . 7 TRP CE2 1 1 11 2179 1 1 7 TRP CE3 C 19.107 -1.542 8.138 1.00 . A A . 7 TRP CE3 1 1 11 2180 1 1 7 TRP CG C 17.867 -0.504 6.097 1.00 . A A . 7 TRP CG 1 1 11 2181 1 1 7 TRP CH2 C 19.086 -3.966 8.099 1.00 . A A . 7 TRP CH2 1 1 11 2182 1 1 7 TRP CZ2 C 18.375 -3.991 6.930 1.00 . A A . 7 TRP CZ2 1 1 11 2183 1 1 7 TRP CZ3 C 19.451 -2.755 8.704 1.00 . A A . 7 TRP CZ3 1 1 11 2184 1 1 7 TRP H H 18.003 2.609 4.210 1.00 . A A . 7 TRP H 1 1 11 2185 1 1 7 TRP HA H 15.951 1.123 5.686 1.00 . A A . 7 TRP HA 1 1 11 2186 1 1 7 TRP HB2 H 18.902 1.304 5.829 1.00 . A A . 7 TRP HB2 1 1 11 2187 1 1 7 TRP HB3 H 18.065 1.155 7.372 1.00 . A A . 7 TRP HB3 1 1 11 2188 1 1 7 TRP HD1 H 16.744 -0.621 4.249 1.00 . A A . 7 TRP HD1 1 1 11 2189 1 1 7 TRP HE1 H 16.959 -3.162 4.597 1.00 . A A . 7 TRP HE1 1 1 11 2190 1 1 7 TRP HE3 H 19.397 -0.620 8.619 1.00 . A A . 7 TRP HE3 1 1 11 2191 1 1 7 TRP HH2 H 19.376 -4.889 8.576 1.00 . A A . 7 TRP HH2 1 1 11 2192 1 1 7 TRP HZ2 H 18.102 -4.932 6.476 1.00 . A A . 7 TRP HZ2 1 1 11 2193 1 1 7 TRP HZ3 H 20.011 -2.779 9.627 1.00 . A A . 7 TRP HZ3 1 1 11 2194 1 1 7 TRP N N 17.115 2.239 4.400 1.00 . A A . 7 TRP N 1 1 11 2195 1 1 7 TRP NE1 N 17.331 -2.495 5.212 1.00 . A A . 7 TRP NE1 1 1 11 2196 1 1 7 TRP O O 16.830 4.090 6.399 1.00 . A A . 7 TRP O 1 1 11 2197 1 1 8 PRO C C 14.293 0.761 7.199 1.00 . A A . 8 PRO C 1 1 11 2198 1 1 8 PRO CA C 15.393 1.274 8.121 1.00 . A A . 8 PRO CA 1 1 11 2199 1 1 8 PRO CB C 14.873 1.402 9.555 1.00 . A A . 8 PRO CB 1 1 11 2200 1 1 8 PRO CD C 15.392 3.614 8.812 1.00 . A A . 8 PRO CD 1 1 11 2201 1 1 8 PRO CG C 14.451 2.825 9.680 1.00 . A A . 8 PRO CG 1 1 11 2202 1 1 8 PRO HA H 16.229 0.590 8.099 1.00 . A A . 8 PRO HA 1 1 11 2203 1 1 8 PRO HB2 H 14.040 0.728 9.699 1.00 . A A . 8 PRO HB2 1 1 11 2204 1 1 8 PRO HB3 H 15.662 1.162 10.251 1.00 . A A . 8 PRO HB3 1 1 11 2205 1 1 8 PRO HD2 H 14.879 4.451 8.362 1.00 . A A . 8 PRO HD2 1 1 11 2206 1 1 8 PRO HD3 H 16.241 3.953 9.387 1.00 . A A . 8 PRO HD3 1 1 11 2207 1 1 8 PRO HG2 H 13.435 2.939 9.332 1.00 . A A . 8 PRO HG2 1 1 11 2208 1 1 8 PRO HG3 H 14.535 3.143 10.709 1.00 . A A . 8 PRO HG3 1 1 11 2209 1 1 8 PRO N N 15.808 2.640 7.788 1.00 . A A . 8 PRO N 1 1 11 2210 1 1 8 PRO O O 13.626 1.527 6.502 1.00 . A A . 8 PRO O 1 1 11 2211 1 1 9 PRO C C 11.661 -0.905 6.837 1.00 . A A . 9 PRO C 1 1 11 2212 1 1 9 PRO CA C 13.077 -1.211 6.360 1.00 . A A . 9 PRO CA 1 1 11 2213 1 1 9 PRO CB C 13.383 -2.702 6.515 1.00 . A A . 9 PRO CB 1 1 11 2214 1 1 9 PRO CD C 14.855 -1.539 7.996 1.00 . A A . 9 PRO CD 1 1 11 2215 1 1 9 PRO CG C 14.073 -2.812 7.831 1.00 . A A . 9 PRO CG 1 1 11 2216 1 1 9 PRO HA H 13.174 -0.928 5.322 1.00 . A A . 9 PRO HA 1 1 11 2217 1 1 9 PRO HB2 H 12.460 -3.265 6.504 1.00 . A A . 9 PRO HB2 1 1 11 2218 1 1 9 PRO HB3 H 14.020 -3.029 5.707 1.00 . A A . 9 PRO HB3 1 1 11 2219 1 1 9 PRO HD2 H 14.881 -1.243 9.035 1.00 . A A . 9 PRO HD2 1 1 11 2220 1 1 9 PRO HD3 H 15.857 -1.659 7.611 1.00 . A A . 9 PRO HD3 1 1 11 2221 1 1 9 PRO HG2 H 13.343 -2.909 8.621 1.00 . A A . 9 PRO HG2 1 1 11 2222 1 1 9 PRO HG3 H 14.738 -3.662 7.827 1.00 . A A . 9 PRO HG3 1 1 11 2223 1 1 9 PRO N N 14.097 -0.566 7.192 1.00 . A A . 9 PRO N 1 1 11 2224 1 1 9 PRO O O 11.020 -1.737 7.479 1.00 . A A . 9 PRO O 1 1 11 2225 1 1 10 ILE C C 8.969 0.988 5.693 1.00 . A A . 10 ILE C 1 1 11 2226 1 1 10 ILE CA C 9.839 0.705 6.913 1.00 . A A . 10 ILE CA 1 1 11 2227 1 1 10 ILE CB C 9.877 1.960 7.804 1.00 . A A . 10 ILE CB 1 1 11 2228 1 1 10 ILE CD1 C 8.388 3.272 9.399 1.00 . A A . 10 ILE CD1 1 1 11 2229 1 1 10 ILE CG1 C 8.456 2.400 8.164 1.00 . A A . 10 ILE CG1 1 1 11 2230 1 1 10 ILE CG2 C 10.624 3.085 7.104 1.00 . A A . 10 ILE CG2 1 1 11 2231 1 1 10 ILE H H 11.739 0.910 6.004 1.00 . A A . 10 ILE H 1 1 11 2232 1 1 10 ILE HA H 9.395 -0.101 7.479 1.00 . A A . 10 ILE HA 1 1 11 2233 1 1 10 ILE HB H 10.411 1.715 8.710 1.00 . A A . 10 ILE HB 1 1 11 2234 1 1 10 ILE HD11 H 7.435 3.131 9.887 1.00 . A A . 10 ILE HD11 1 1 11 2235 1 1 10 ILE HD12 H 9.184 3.002 10.076 1.00 . A A . 10 ILE HD12 1 1 11 2236 1 1 10 ILE HD13 H 8.495 4.309 9.113 1.00 . A A . 10 ILE HD13 1 1 11 2237 1 1 10 ILE HG12 H 8.040 2.959 7.341 1.00 . A A . 10 ILE HG12 1 1 11 2238 1 1 10 ILE HG13 H 7.851 1.523 8.343 1.00 . A A . 10 ILE HG13 1 1 11 2239 1 1 10 ILE HG21 H 11.538 2.699 6.676 1.00 . A A . 10 ILE HG21 1 1 11 2240 1 1 10 ILE HG22 H 10.005 3.494 6.319 1.00 . A A . 10 ILE HG22 1 1 11 2241 1 1 10 ILE HG23 H 10.860 3.860 7.818 1.00 . A A . 10 ILE HG23 1 1 11 2242 1 1 10 ILE N N 11.180 0.292 6.518 1.00 . A A . 10 ILE N 1 1 11 2243 1 1 10 ILE O O 9.278 1.866 4.886 1.00 . A A . 10 ILE O 1 1 11 2244 1 1 11 CYS C C 5.511 0.323 4.909 1.00 . A A . 11 CYS C 1 1 11 2245 1 1 11 CYS CA C 6.962 0.410 4.443 1.00 . A A . 11 CYS CA 1 1 11 2246 1 1 11 CYS CB C 7.230 -0.649 3.373 1.00 . A A . 11 CYS CB 1 1 11 2247 1 1 11 CYS H H 7.685 -0.444 6.240 1.00 . A A . 11 CYS H 1 1 11 2248 1 1 11 CYS HA H 7.132 1.389 4.020 1.00 . A A . 11 CYS HA 1 1 11 2249 1 1 11 CYS HB2 H 6.869 -1.604 3.724 1.00 . A A . 11 CYS HB2 1 1 11 2250 1 1 11 CYS HB3 H 6.700 -0.380 2.471 1.00 . A A . 11 CYS HB3 1 1 11 2251 1 1 11 CYS N N 7.879 0.240 5.564 1.00 . A A . 11 CYS N 1 1 11 2252 1 1 11 CYS O O 5.181 -0.456 5.804 1.00 . A A . 11 CYS O 1 1 11 2253 1 1 11 CYS SG S 8.989 -0.846 2.946 1.00 . A A . 11 CYS SG 1 1 11 2254 1 1 12 PHE C C 2.500 -0.030 4.000 1.00 . A A . 12 PHE C 1 1 11 2255 1 1 12 PHE CA C 3.234 1.141 4.648 1.00 . A A . 12 PHE CA 1 1 11 2256 1 1 12 PHE CB C 2.592 2.462 4.215 1.00 . A A . 12 PHE CB 1 1 11 2257 1 1 12 PHE CD1 C 3.238 4.782 4.920 1.00 . A A . 12 PHE CD1 1 1 11 2258 1 1 12 PHE CD2 C 2.265 3.333 6.545 1.00 . A A . 12 PHE CD2 1 1 11 2259 1 1 12 PHE CE1 C 3.338 5.783 5.868 1.00 . A A . 12 PHE CE1 1 1 11 2260 1 1 12 PHE CE2 C 2.362 4.330 7.497 1.00 . A A . 12 PHE CE2 1 1 11 2261 1 1 12 PHE CG C 2.700 3.547 5.248 1.00 . A A . 12 PHE CG 1 1 11 2262 1 1 12 PHE CZ C 2.901 5.556 7.158 1.00 . A A . 12 PHE CZ 1 1 11 2263 1 1 12 PHE H H 4.972 1.725 3.590 1.00 . A A . 12 PHE H 1 1 11 2264 1 1 12 PHE HA H 3.159 1.049 5.720 1.00 . A A . 12 PHE HA 1 1 11 2265 1 1 12 PHE HB2 H 3.076 2.811 3.315 1.00 . A A . 12 PHE HB2 1 1 11 2266 1 1 12 PHE HB3 H 1.545 2.295 4.014 1.00 . A A . 12 PHE HB3 1 1 11 2267 1 1 12 PHE HD1 H 3.580 4.960 3.911 1.00 . A A . 12 PHE HD1 1 1 11 2268 1 1 12 PHE HD2 H 1.845 2.374 6.812 1.00 . A A . 12 PHE HD2 1 1 11 2269 1 1 12 PHE HE1 H 3.759 6.740 5.600 1.00 . A A . 12 PHE HE1 1 1 11 2270 1 1 12 PHE HE2 H 2.020 4.150 8.505 1.00 . A A . 12 PHE HE2 1 1 11 2271 1 1 12 PHE HZ H 2.977 6.337 7.900 1.00 . A A . 12 PHE HZ 1 1 11 2272 1 1 12 PHE N N 4.649 1.127 4.296 1.00 . A A . 12 PHE N 1 1 11 2273 1 1 12 PHE O O 2.973 -0.636 3.038 1.00 . A A . 12 PHE O 1 1 11 2274 1 1 13 PRO C C -0.106 -1.149 2.663 1.00 . A A . 13 PRO C 1 1 11 2275 1 1 13 PRO CA C 0.492 -1.457 4.031 1.00 . A A . 13 PRO CA 1 1 11 2276 1 1 13 PRO CB C -0.613 -1.587 5.082 1.00 . A A . 13 PRO CB 1 1 11 2277 1 1 13 PRO CD C 0.692 0.322 5.687 1.00 . A A . 13 PRO CD 1 1 11 2278 1 1 13 PRO CG C -0.704 -0.236 5.705 1.00 . A A . 13 PRO CG 1 1 11 2279 1 1 13 PRO HA H 1.051 -2.380 3.979 1.00 . A A . 13 PRO HA 1 1 11 2280 1 1 13 PRO HB2 H -1.541 -1.863 4.600 1.00 . A A . 13 PRO HB2 1 1 11 2281 1 1 13 PRO HB3 H -0.340 -2.338 5.807 1.00 . A A . 13 PRO HB3 1 1 11 2282 1 1 13 PRO HD2 H 0.669 1.391 5.537 1.00 . A A . 13 PRO HD2 1 1 11 2283 1 1 13 PRO HD3 H 1.207 0.079 6.605 1.00 . A A . 13 PRO HD3 1 1 11 2284 1 1 13 PRO HG2 H -1.366 0.391 5.128 1.00 . A A . 13 PRO HG2 1 1 11 2285 1 1 13 PRO HG3 H -1.059 -0.325 6.721 1.00 . A A . 13 PRO HG3 1 1 11 2286 1 1 13 PRO N N 1.317 -0.357 4.540 1.00 . A A . 13 PRO N 1 1 11 2287 1 1 13 PRO O O -0.360 -2.054 1.868 1.00 . A A . 13 PRO O 1 1 11 2288 1 1 14 ASP C C -0.116 -0.032 -0.047 1.00 . A A . 14 ASP C 1 1 11 2289 1 1 14 ASP CA C -0.896 0.561 1.122 1.00 . A A . 14 ASP CA 1 1 11 2290 1 1 14 ASP CB C -0.898 2.088 1.028 1.00 . A A . 14 ASP CB 1 1 11 2291 1 1 14 ASP CG C -0.853 2.579 -0.406 1.00 . A A . 14 ASP CG 1 1 11 2292 1 1 14 ASP H H -0.105 0.808 3.070 1.00 . A A . 14 ASP H 1 1 11 2293 1 1 14 ASP HA H -1.914 0.205 1.076 1.00 . A A . 14 ASP HA 1 1 11 2294 1 1 14 ASP HB2 H -1.797 2.469 1.491 1.00 . A A . 14 ASP HB2 1 1 11 2295 1 1 14 ASP HB3 H -0.036 2.475 1.550 1.00 . A A . 14 ASP HB3 1 1 11 2296 1 1 14 ASP N N -0.329 0.133 2.395 1.00 . A A . 14 ASP N 1 1 11 2297 1 1 14 ASP O O -0.669 -0.769 -0.865 1.00 . A A . 14 ASP O 1 1 11 2298 1 1 14 ASP OD1 O 0.261 2.836 -0.910 1.00 . A A . 14 ASP OD1 1 1 11 2299 1 1 14 ASP OD2 O -1.930 2.706 -1.024 1.00 . A A . 14 ASP OD2 1 1 12 2300 1 1 1 GLY C C 3.344 -0.117 -0.467 1.00 . A A . 1 GLY C 1 1 12 2301 1 1 1 GLY CA C 1.902 -0.505 -0.209 1.00 . A A . 1 GLY CA 1 1 12 2302 1 1 1 GLY H1 H 1.604 1.119 1.117 1.00 . A A . 1 GLY H1 1 1 12 2303 1 1 1 GLY HA2 H 1.883 -1.393 0.405 1.00 . A A . 1 GLY HA2 1 1 12 2304 1 1 1 GLY HA3 H 1.426 -0.722 -1.153 1.00 . A A . 1 GLY HA3 1 1 12 2305 1 1 1 GLY N N 1.156 0.545 0.461 1.00 . A A . 1 GLY N 1 1 12 2306 1 1 1 GLY O O 4.234 -0.968 -0.457 1.00 . A A . 1 GLY O 1 1 12 2307 1 1 2 ARG C C 5.845 1.397 0.220 1.00 . A A . 2 ARG C 1 1 12 2308 1 1 2 ARG CA C 4.921 1.669 -0.964 1.00 . A A . 2 ARG CA 1 1 12 2309 1 1 2 ARG CB C 4.883 3.169 -1.259 1.00 . A A . 2 ARG CB 1 1 12 2310 1 1 2 ARG CD C 4.562 5.503 -0.384 1.00 . A A . 2 ARG CD 1 1 12 2311 1 1 2 ARG CG C 4.529 4.020 -0.050 1.00 . A A . 2 ARG CG 1 1 12 2312 1 1 2 ARG CZ C 6.945 6.073 -0.187 1.00 . A A . 2 ARG CZ 1 1 12 2313 1 1 2 ARG H H 2.826 1.801 -0.693 1.00 . A A . 2 ARG H 1 1 12 2314 1 1 2 ARG HA H 5.303 1.150 -1.830 1.00 . A A . 2 ARG HA 1 1 12 2315 1 1 2 ARG HB2 H 5.854 3.479 -1.618 1.00 . A A . 2 ARG HB2 1 1 12 2316 1 1 2 ARG HB3 H 4.148 3.354 -2.029 1.00 . A A . 2 ARG HB3 1 1 12 2317 1 1 2 ARG HD2 H 3.793 5.712 -1.113 1.00 . A A . 2 ARG HD2 1 1 12 2318 1 1 2 ARG HD3 H 4.366 6.065 0.517 1.00 . A A . 2 ARG HD3 1 1 12 2319 1 1 2 ARG HE H 5.909 6.078 -1.891 1.00 . A A . 2 ARG HE 1 1 12 2320 1 1 2 ARG HG2 H 3.536 3.759 0.283 1.00 . A A . 2 ARG HG2 1 1 12 2321 1 1 2 ARG HG3 H 5.240 3.821 0.738 1.00 . A A . 2 ARG HG3 1 1 12 2322 1 1 2 ARG HH11 H 6.045 5.574 1.551 1.00 . A A . 2 ARG HH11 1 1 12 2323 1 1 2 ARG HH12 H 7.725 5.978 1.675 1.00 . A A . 2 ARG HH12 1 1 12 2324 1 1 2 ARG HH21 H 8.122 6.612 -1.740 1.00 . A A . 2 ARG HH21 1 1 12 2325 1 1 2 ARG HH22 H 8.905 6.569 -0.197 1.00 . A A . 2 ARG HH22 1 1 12 2326 1 1 2 ARG N N 3.577 1.171 -0.699 1.00 . A A . 2 ARG N 1 1 12 2327 1 1 2 ARG NE N 5.854 5.914 -0.927 1.00 . A A . 2 ARG NE 1 1 12 2328 1 1 2 ARG NH1 N 6.901 5.858 1.120 1.00 . A A . 2 ARG NH1 1 1 12 2329 1 1 2 ARG NH2 N 8.084 6.449 -0.755 1.00 . A A . 2 ARG NH2 1 1 12 2330 1 1 2 ARG O O 5.417 1.424 1.374 1.00 . A A . 2 ARG O 1 1 12 2331 1 1 3 CYS C C 9.219 1.889 0.943 1.00 . A A . 3 CYS C 1 1 12 2332 1 1 3 CYS CA C 8.098 0.854 0.964 1.00 . A A . 3 CYS CA 1 1 12 2333 1 1 3 CYS CB C 8.681 -0.549 0.780 1.00 . A A . 3 CYS CB 1 1 12 2334 1 1 3 CYS H H 7.394 1.125 -1.014 1.00 . A A . 3 CYS H 1 1 12 2335 1 1 3 CYS HA H 7.597 0.904 1.918 1.00 . A A . 3 CYS HA 1 1 12 2336 1 1 3 CYS HB2 H 9.263 -0.571 -0.130 1.00 . A A . 3 CYS HB2 1 1 12 2337 1 1 3 CYS HB3 H 9.323 -0.776 1.618 1.00 . A A . 3 CYS HB3 1 1 12 2338 1 1 3 CYS N N 7.113 1.133 -0.075 1.00 . A A . 3 CYS N 1 1 12 2339 1 1 3 CYS O O 9.297 2.718 0.035 1.00 . A A . 3 CYS O 1 1 12 2340 1 1 3 CYS SG S 7.427 -1.866 0.666 1.00 . A A . 3 CYS SG 1 1 12 2341 1 1 4 THR C C 12.445 2.211 1.367 1.00 . A A . 4 THR C 1 1 12 2342 1 1 4 THR CA C 11.201 2.769 2.048 1.00 . A A . 4 THR CA 1 1 12 2343 1 1 4 THR CB C 11.535 3.093 3.516 1.00 . A A . 4 THR CB 1 1 12 2344 1 1 4 THR CG2 C 10.488 4.018 4.118 1.00 . A A . 4 THR CG2 1 1 12 2345 1 1 4 THR H H 9.969 1.153 2.643 1.00 . A A . 4 THR H 1 1 12 2346 1 1 4 THR HA H 10.913 3.686 1.555 1.00 . A A . 4 THR HA 1 1 12 2347 1 1 4 THR HB H 12.494 3.588 3.551 1.00 . A A . 4 THR HB 1 1 12 2348 1 1 4 THR HG1 H 12.524 1.617 4.373 1.00 . A A . 4 THR HG1 1 1 12 2349 1 1 4 THR HG21 H 9.585 3.459 4.318 1.00 . A A . 4 THR HG21 1 1 12 2350 1 1 4 THR HG22 H 10.271 4.816 3.423 1.00 . A A . 4 THR HG22 1 1 12 2351 1 1 4 THR HG23 H 10.864 4.435 5.040 1.00 . A A . 4 THR HG23 1 1 12 2352 1 1 4 THR N N 10.085 1.836 1.950 1.00 . A A . 4 THR N 1 1 12 2353 1 1 4 THR O O 12.957 1.161 1.754 1.00 . A A . 4 THR O 1 1 12 2354 1 1 4 THR OG1 O 11.606 1.884 4.281 1.00 . A A . 4 THR OG1 1 1 12 2355 1 1 5 GLN C C 15.330 2.443 0.532 1.00 . A A . 5 GLN C 1 1 12 2356 1 1 5 GLN CA C 14.112 2.495 -0.383 1.00 . A A . 5 GLN CA 1 1 12 2357 1 1 5 GLN CB C 14.379 3.442 -1.555 1.00 . A A . 5 GLN CB 1 1 12 2358 1 1 5 GLN CD C 14.896 5.801 -2.296 1.00 . A A . 5 GLN CD 1 1 12 2359 1 1 5 GLN CG C 14.766 4.847 -1.124 1.00 . A A . 5 GLN CG 1 1 12 2360 1 1 5 GLN H H 12.474 3.749 0.090 1.00 . A A . 5 GLN H 1 1 12 2361 1 1 5 GLN HA H 13.925 1.504 -0.769 1.00 . A A . 5 GLN HA 1 1 12 2362 1 1 5 GLN HB2 H 15.183 3.037 -2.153 1.00 . A A . 5 GLN HB2 1 1 12 2363 1 1 5 GLN HB3 H 13.488 3.506 -2.160 1.00 . A A . 5 GLN HB3 1 1 12 2364 1 1 5 GLN HE21 H 13.509 6.991 -1.513 1.00 . A A . 5 GLN HE21 1 1 12 2365 1 1 5 GLN HE22 H 14.180 7.509 -3.018 1.00 . A A . 5 GLN HE22 1 1 12 2366 1 1 5 GLN HG2 H 14.008 5.226 -0.455 1.00 . A A . 5 GLN HG2 1 1 12 2367 1 1 5 GLN HG3 H 15.713 4.804 -0.607 1.00 . A A . 5 GLN HG3 1 1 12 2368 1 1 5 GLN N N 12.927 2.920 0.351 1.00 . A A . 5 GLN N 1 1 12 2369 1 1 5 GLN NE2 N 14.116 6.875 -2.274 1.00 . A A . 5 GLN NE2 1 1 12 2370 1 1 5 GLN O O 16.190 1.574 0.389 1.00 . A A . 5 GLN O 1 1 12 2371 1 1 5 GLN OE1 O 15.689 5.575 -3.210 1.00 . A A . 5 GLN OE1 1 1 12 2372 1 1 6 ALA C C 16.085 2.960 3.797 1.00 . A A . 6 ALA C 1 1 12 2373 1 1 6 ALA CA C 16.510 3.439 2.413 1.00 . A A . 6 ALA CA 1 1 12 2374 1 1 6 ALA CB C 17.062 4.855 2.489 1.00 . A A . 6 ALA CB 1 1 12 2375 1 1 6 ALA H H 14.681 4.044 1.537 1.00 . A A . 6 ALA H 1 1 12 2376 1 1 6 ALA HA H 17.294 2.792 2.045 1.00 . A A . 6 ALA HA 1 1 12 2377 1 1 6 ALA HB1 H 18.065 4.828 2.890 1.00 . A A . 6 ALA HB1 1 1 12 2378 1 1 6 ALA HB2 H 17.080 5.287 1.500 1.00 . A A . 6 ALA HB2 1 1 12 2379 1 1 6 ALA HB3 H 16.432 5.452 3.132 1.00 . A A . 6 ALA HB3 1 1 12 2380 1 1 6 ALA N N 15.398 3.379 1.473 1.00 . A A . 6 ALA N 1 1 12 2381 1 1 6 ALA O O 14.995 3.283 4.269 1.00 . A A . 6 ALA O 1 1 12 2382 1 1 7 TRP C C 16.246 2.783 6.721 1.00 . A A . 7 TRP C 1 1 12 2383 1 1 7 TRP CA C 16.665 1.664 5.773 1.00 . A A . 7 TRP CA 1 1 12 2384 1 1 7 TRP CB C 17.890 0.937 6.333 1.00 . A A . 7 TRP CB 1 1 12 2385 1 1 7 TRP CD1 C 17.284 -1.178 5.018 1.00 . A A . 7 TRP CD1 1 1 12 2386 1 1 7 TRP CD2 C 18.482 -1.557 6.871 1.00 . A A . 7 TRP CD2 1 1 12 2387 1 1 7 TRP CE2 C 18.218 -2.792 6.247 1.00 . A A . 7 TRP CE2 1 1 12 2388 1 1 7 TRP CE3 C 19.224 -1.548 8.056 1.00 . A A . 7 TRP CE3 1 1 12 2389 1 1 7 TRP CG C 17.877 -0.538 6.069 1.00 . A A . 7 TRP CG 1 1 12 2390 1 1 7 TRP CH2 C 19.392 -3.962 7.929 1.00 . A A . 7 TRP CH2 1 1 12 2391 1 1 7 TRP CZ2 C 18.668 -4.002 6.768 1.00 . A A . 7 TRP CZ2 1 1 12 2392 1 1 7 TRP CZ3 C 19.670 -2.749 8.572 1.00 . A A . 7 TRP CZ3 1 1 12 2393 1 1 7 TRP H H 17.805 1.965 4.015 1.00 . A A . 7 TRP H 1 1 12 2394 1 1 7 TRP HA H 15.851 0.960 5.683 1.00 . A A . 7 TRP HA 1 1 12 2395 1 1 7 TRP HB2 H 18.781 1.348 5.883 1.00 . A A . 7 TRP HB2 1 1 12 2396 1 1 7 TRP HB3 H 17.929 1.085 7.402 1.00 . A A . 7 TRP HB3 1 1 12 2397 1 1 7 TRP HD1 H 16.739 -0.678 4.232 1.00 . A A . 7 TRP HD1 1 1 12 2398 1 1 7 TRP HE1 H 17.157 -3.205 4.485 1.00 . A A . 7 TRP HE1 1 1 12 2399 1 1 7 TRP HE3 H 19.449 -0.623 8.566 1.00 . A A . 7 TRP HE3 1 1 12 2400 1 1 7 TRP HH2 H 19.760 -4.876 8.368 1.00 . A A . 7 TRP HH2 1 1 12 2401 1 1 7 TRP HZ2 H 18.462 -4.945 6.284 1.00 . A A . 7 TRP HZ2 1 1 12 2402 1 1 7 TRP HZ3 H 20.245 -2.761 9.487 1.00 . A A . 7 TRP HZ3 1 1 12 2403 1 1 7 TRP N N 16.952 2.188 4.443 1.00 . A A . 7 TRP N 1 1 12 2404 1 1 7 TRP NE1 N 17.484 -2.533 5.119 1.00 . A A . 7 TRP NE1 1 1 12 2405 1 1 7 TRP O O 16.499 3.963 6.476 1.00 . A A . 7 TRP O 1 1 12 2406 1 1 8 PRO C C 14.230 0.428 7.194 1.00 . A A . 8 PRO C 1 1 12 2407 1 1 8 PRO CA C 15.285 1.006 8.131 1.00 . A A . 8 PRO CA 1 1 12 2408 1 1 8 PRO CB C 14.753 1.060 9.565 1.00 . A A . 8 PRO CB 1 1 12 2409 1 1 8 PRO CD C 15.099 3.322 8.873 1.00 . A A . 8 PRO CD 1 1 12 2410 1 1 8 PRO CG C 14.221 2.442 9.720 1.00 . A A . 8 PRO CG 1 1 12 2411 1 1 8 PRO HA H 16.171 0.389 8.097 1.00 . A A . 8 PRO HA 1 1 12 2412 1 1 8 PRO HB2 H 13.976 0.320 9.692 1.00 . A A . 8 PRO HB2 1 1 12 2413 1 1 8 PRO HB3 H 15.558 0.867 10.259 1.00 . A A . 8 PRO HB3 1 1 12 2414 1 1 8 PRO HD2 H 14.522 4.126 8.440 1.00 . A A . 8 PRO HD2 1 1 12 2415 1 1 8 PRO HD3 H 15.917 3.714 9.458 1.00 . A A . 8 PRO HD3 1 1 12 2416 1 1 8 PRO HG2 H 13.200 2.484 9.372 1.00 . A A . 8 PRO HG2 1 1 12 2417 1 1 8 PRO HG3 H 14.278 2.744 10.756 1.00 . A A . 8 PRO HG3 1 1 12 2418 1 1 8 PRO N N 15.591 2.407 7.829 1.00 . A A . 8 PRO N 1 1 12 2419 1 1 8 PRO O O 13.512 1.154 6.505 1.00 . A A . 8 PRO O 1 1 12 2420 1 1 9 PRO C C 11.728 -1.420 6.789 1.00 . A A . 9 PRO C 1 1 12 2421 1 1 9 PRO CA C 13.165 -1.614 6.317 1.00 . A A . 9 PRO CA 1 1 12 2422 1 1 9 PRO CB C 13.579 -3.081 6.451 1.00 . A A . 9 PRO CB 1 1 12 2423 1 1 9 PRO CD C 14.954 -1.837 7.959 1.00 . A A . 9 PRO CD 1 1 12 2424 1 1 9 PRO CG C 14.268 -3.161 7.770 1.00 . A A . 9 PRO CG 1 1 12 2425 1 1 9 PRO HA H 13.248 -1.308 5.284 1.00 . A A . 9 PRO HA 1 1 12 2426 1 1 9 PRO HB2 H 12.699 -3.710 6.425 1.00 . A A . 9 PRO HB2 1 1 12 2427 1 1 9 PRO HB3 H 14.243 -3.348 5.643 1.00 . A A . 9 PRO HB3 1 1 12 2428 1 1 9 PRO HD2 H 14.953 -1.557 9.002 1.00 . A A . 9 PRO HD2 1 1 12 2429 1 1 9 PRO HD3 H 15.964 -1.877 7.579 1.00 . A A . 9 PRO HD3 1 1 12 2430 1 1 9 PRO HG2 H 13.543 -3.324 8.553 1.00 . A A . 9 PRO HG2 1 1 12 2431 1 1 9 PRO HG3 H 14.994 -3.961 7.756 1.00 . A A . 9 PRO HG3 1 1 12 2432 1 1 9 PRO N N 14.131 -0.909 7.165 1.00 . A A . 9 PRO N 1 1 12 2433 1 1 9 PRO O O 11.151 -2.300 7.428 1.00 . A A . 9 PRO O 1 1 12 2434 1 1 10 ILE C C 8.898 0.245 5.639 1.00 . A A . 10 ILE C 1 1 12 2435 1 1 10 ILE CA C 9.787 0.044 6.862 1.00 . A A . 10 ILE CA 1 1 12 2436 1 1 10 ILE CB C 9.723 1.307 7.741 1.00 . A A . 10 ILE CB 1 1 12 2437 1 1 10 ILE CD1 C 8.160 2.308 9.483 1.00 . A A . 10 ILE CD1 1 1 12 2438 1 1 10 ILE CG1 C 8.278 1.593 8.156 1.00 . A A . 10 ILE CG1 1 1 12 2439 1 1 10 ILE CG2 C 10.314 2.498 7.002 1.00 . A A . 10 ILE CG2 1 1 12 2440 1 1 10 ILE H H 11.668 0.398 5.960 1.00 . A A . 10 ILE H 1 1 12 2441 1 1 10 ILE HA H 9.409 -0.790 7.435 1.00 . A A . 10 ILE HA 1 1 12 2442 1 1 10 ILE HB H 10.315 1.132 8.626 1.00 . A A . 10 ILE HB 1 1 12 2443 1 1 10 ILE HD11 H 8.976 2.011 10.126 1.00 . A A . 10 ILE HD11 1 1 12 2444 1 1 10 ILE HD12 H 8.197 3.375 9.323 1.00 . A A . 10 ILE HD12 1 1 12 2445 1 1 10 ILE HD13 H 7.222 2.047 9.951 1.00 . A A . 10 ILE HD13 1 1 12 2446 1 1 10 ILE HG12 H 7.810 2.210 7.405 1.00 . A A . 10 ILE HG12 1 1 12 2447 1 1 10 ILE HG13 H 7.741 0.658 8.233 1.00 . A A . 10 ILE HG13 1 1 12 2448 1 1 10 ILE HG21 H 9.615 2.840 6.253 1.00 . A A . 10 ILE HG21 1 1 12 2449 1 1 10 ILE HG22 H 10.507 3.296 7.703 1.00 . A A . 10 ILE HG22 1 1 12 2450 1 1 10 ILE HG23 H 11.237 2.205 6.526 1.00 . A A . 10 ILE HG23 1 1 12 2451 1 1 10 ILE N N 11.157 -0.263 6.470 1.00 . A A . 10 ILE N 1 1 12 2452 1 1 10 ILE O O 9.199 1.059 4.765 1.00 . A A . 10 ILE O 1 1 12 2453 1 1 11 CYS C C 5.471 -0.024 4.960 1.00 . A A . 11 CYS C 1 1 12 2454 1 1 11 CYS CA C 6.865 -0.406 4.470 1.00 . A A . 11 CYS CA 1 1 12 2455 1 1 11 CYS CB C 6.804 -1.734 3.712 1.00 . A A . 11 CYS CB 1 1 12 2456 1 1 11 CYS H H 7.613 -1.133 6.311 1.00 . A A . 11 CYS H 1 1 12 2457 1 1 11 CYS HA H 7.221 0.363 3.802 1.00 . A A . 11 CYS HA 1 1 12 2458 1 1 11 CYS HB2 H 7.808 -2.111 3.582 1.00 . A A . 11 CYS HB2 1 1 12 2459 1 1 11 CYS HB3 H 6.230 -2.443 4.290 1.00 . A A . 11 CYS HB3 1 1 12 2460 1 1 11 CYS N N 7.800 -0.502 5.584 1.00 . A A . 11 CYS N 1 1 12 2461 1 1 11 CYS O O 4.947 -0.621 5.900 1.00 . A A . 11 CYS O 1 1 12 2462 1 1 11 CYS SG S 6.041 -1.615 2.062 1.00 . A A . 11 CYS SG 1 1 12 2463 1 1 12 PHE C C 2.482 0.423 4.277 1.00 . A A . 12 PHE C 1 1 12 2464 1 1 12 PHE CA C 3.545 1.438 4.687 1.00 . A A . 12 PHE CA 1 1 12 2465 1 1 12 PHE CB C 3.252 2.791 4.034 1.00 . A A . 12 PHE CB 1 1 12 2466 1 1 12 PHE CD1 C 2.828 5.026 5.093 1.00 . A A . 12 PHE CD1 1 1 12 2467 1 1 12 PHE CD2 C 4.959 4.006 5.414 1.00 . A A . 12 PHE CD2 1 1 12 2468 1 1 12 PHE CE1 C 3.226 6.107 5.857 1.00 . A A . 12 PHE CE1 1 1 12 2469 1 1 12 PHE CE2 C 5.363 5.084 6.179 1.00 . A A . 12 PHE CE2 1 1 12 2470 1 1 12 PHE CG C 3.688 3.964 4.864 1.00 . A A . 12 PHE CG 1 1 12 2471 1 1 12 PHE CZ C 4.496 6.136 6.399 1.00 . A A . 12 PHE CZ 1 1 12 2472 1 1 12 PHE H H 5.346 1.412 3.574 1.00 . A A . 12 PHE H 1 1 12 2473 1 1 12 PHE HA H 3.521 1.553 5.759 1.00 . A A . 12 PHE HA 1 1 12 2474 1 1 12 PHE HB2 H 3.768 2.845 3.087 1.00 . A A . 12 PHE HB2 1 1 12 2475 1 1 12 PHE HB3 H 2.189 2.879 3.866 1.00 . A A . 12 PHE HB3 1 1 12 2476 1 1 12 PHE HD1 H 1.834 5.004 4.668 1.00 . A A . 12 PHE HD1 1 1 12 2477 1 1 12 PHE HD2 H 5.639 3.184 5.242 1.00 . A A . 12 PHE HD2 1 1 12 2478 1 1 12 PHE HE1 H 2.546 6.928 6.027 1.00 . A A . 12 PHE HE1 1 1 12 2479 1 1 12 PHE HE2 H 6.356 5.105 6.602 1.00 . A A . 12 PHE HE2 1 1 12 2480 1 1 12 PHE HZ H 4.809 6.979 6.997 1.00 . A A . 12 PHE HZ 1 1 12 2481 1 1 12 PHE N N 4.877 0.975 4.316 1.00 . A A . 12 PHE N 1 1 12 2482 1 1 12 PHE O O 2.709 -0.444 3.432 1.00 . A A . 12 PHE O 1 1 12 2483 1 1 13 PRO C C -0.414 -0.145 3.217 1.00 . A A . 13 PRO C 1 1 12 2484 1 1 13 PRO CA C 0.173 -0.370 4.606 1.00 . A A . 13 PRO CA 1 1 12 2485 1 1 13 PRO CB C -0.853 -0.011 5.684 1.00 . A A . 13 PRO CB 1 1 12 2486 1 1 13 PRO CD C 0.954 1.539 5.907 1.00 . A A . 13 PRO CD 1 1 12 2487 1 1 13 PRO CG C -0.536 1.398 6.053 1.00 . A A . 13 PRO CG 1 1 12 2488 1 1 13 PRO HA H 0.459 -1.407 4.711 1.00 . A A . 13 PRO HA 1 1 12 2489 1 1 13 PRO HB2 H -1.851 -0.098 5.279 1.00 . A A . 13 PRO HB2 1 1 12 2490 1 1 13 PRO HB3 H -0.741 -0.674 6.528 1.00 . A A . 13 PRO HB3 1 1 12 2491 1 1 13 PRO HD2 H 1.207 2.531 5.566 1.00 . A A . 13 PRO HD2 1 1 12 2492 1 1 13 PRO HD3 H 1.447 1.322 6.844 1.00 . A A . 13 PRO HD3 1 1 12 2493 1 1 13 PRO HG2 H -1.044 2.076 5.385 1.00 . A A . 13 PRO HG2 1 1 12 2494 1 1 13 PRO HG3 H -0.831 1.584 7.075 1.00 . A A . 13 PRO HG3 1 1 12 2495 1 1 13 PRO N N 1.294 0.530 4.890 1.00 . A A . 13 PRO N 1 1 12 2496 1 1 13 PRO O O -0.893 -1.081 2.576 1.00 . A A . 13 PRO O 1 1 12 2497 1 1 14 ASP C C -0.177 0.672 0.345 1.00 . A A . 14 ASP C 1 1 12 2498 1 1 14 ASP CA C -0.899 1.448 1.442 1.00 . A A . 14 ASP CA 1 1 12 2499 1 1 14 ASP CB C -0.762 2.951 1.195 1.00 . A A . 14 ASP CB 1 1 12 2500 1 1 14 ASP CG C 0.683 3.382 1.036 1.00 . A A . 14 ASP CG 1 1 12 2501 1 1 14 ASP H H 0.022 1.803 3.315 1.00 . A A . 14 ASP H 1 1 12 2502 1 1 14 ASP HA H -1.946 1.184 1.423 1.00 . A A . 14 ASP HA 1 1 12 2503 1 1 14 ASP HB2 H -1.297 3.212 0.294 1.00 . A A . 14 ASP HB2 1 1 12 2504 1 1 14 ASP HB3 H -1.189 3.487 2.030 1.00 . A A . 14 ASP HB3 1 1 12 2505 1 1 14 ASP N N -0.373 1.101 2.757 1.00 . A A . 14 ASP N 1 1 12 2506 1 1 14 ASP O O -0.749 0.389 -0.708 1.00 . A A . 14 ASP O 1 1 12 2507 1 1 14 ASP OD1 O 1.231 3.224 -0.075 1.00 . A A . 14 ASP OD1 1 1 12 2508 1 1 14 ASP OD2 O 1.266 3.879 2.023 1.00 . A A . 14 ASP OD2 1 1 13 2509 1 1 1 GLY C C 3.291 0.575 -0.386 1.00 . A A . 1 GLY C 1 1 13 2510 1 1 1 GLY CA C 1.854 0.125 -0.210 1.00 . A A . 1 GLY CA 1 1 13 2511 1 1 1 GLY H1 H 1.513 1.535 1.332 1.00 . A A . 1 GLY H1 1 1 13 2512 1 1 1 GLY HA2 H 1.848 -0.846 0.261 1.00 . A A . 1 GLY HA2 1 1 13 2513 1 1 1 GLY HA3 H 1.393 0.045 -1.183 1.00 . A A . 1 GLY HA3 1 1 13 2514 1 1 1 GLY N N 1.080 1.046 0.602 1.00 . A A . 1 GLY N 1 1 13 2515 1 1 1 GLY O O 4.200 -0.250 -0.483 1.00 . A A . 1 GLY O 1 1 13 2516 1 1 2 ARG C C 5.756 2.001 0.533 1.00 . A A . 2 ARG C 1 1 13 2517 1 1 2 ARG CA C 4.834 2.445 -0.599 1.00 . A A . 2 ARG CA 1 1 13 2518 1 1 2 ARG CB C 4.769 3.973 -0.648 1.00 . A A . 2 ARG CB 1 1 13 2519 1 1 2 ARG CD C 5.954 6.102 -1.263 1.00 . A A . 2 ARG CD 1 1 13 2520 1 1 2 ARG CG C 6.113 4.631 -0.911 1.00 . A A . 2 ARG CG 1 1 13 2521 1 1 2 ARG CZ C 5.756 6.182 -3.712 1.00 . A A . 2 ARG CZ 1 1 13 2522 1 1 2 ARG H H 2.733 2.495 -0.347 1.00 . A A . 2 ARG H 1 1 13 2523 1 1 2 ARG HA H 5.230 2.081 -1.534 1.00 . A A . 2 ARG HA 1 1 13 2524 1 1 2 ARG HB2 H 4.089 4.268 -1.433 1.00 . A A . 2 ARG HB2 1 1 13 2525 1 1 2 ARG HB3 H 4.394 4.336 0.297 1.00 . A A . 2 ARG HB3 1 1 13 2526 1 1 2 ARG HD2 H 5.426 6.596 -0.461 1.00 . A A . 2 ARG HD2 1 1 13 2527 1 1 2 ARG HD3 H 6.935 6.541 -1.371 1.00 . A A . 2 ARG HD3 1 1 13 2528 1 1 2 ARG HE H 4.257 6.507 -2.436 1.00 . A A . 2 ARG HE 1 1 13 2529 1 1 2 ARG HG2 H 6.724 4.549 -0.024 1.00 . A A . 2 ARG HG2 1 1 13 2530 1 1 2 ARG HG3 H 6.598 4.124 -1.732 1.00 . A A . 2 ARG HG3 1 1 13 2531 1 1 2 ARG HH11 H 7.604 5.749 -3.023 1.00 . A A . 2 ARG HH11 1 1 13 2532 1 1 2 ARG HH12 H 7.450 5.808 -4.747 1.00 . A A . 2 ARG HH12 1 1 13 2533 1 1 2 ARG HH21 H 4.042 6.588 -4.705 1.00 . A A . 2 ARG HH21 1 1 13 2534 1 1 2 ARG HH22 H 5.424 6.287 -5.703 1.00 . A A . 2 ARG HH22 1 1 13 2535 1 1 2 ARG N N 3.497 1.887 -0.430 1.00 . A A . 2 ARG N 1 1 13 2536 1 1 2 ARG NE N 5.210 6.290 -2.506 1.00 . A A . 2 ARG NE 1 1 13 2537 1 1 2 ARG NH1 N 7.042 5.890 -3.838 1.00 . A A . 2 ARG NH1 1 1 13 2538 1 1 2 ARG NH2 N 5.013 6.368 -4.796 1.00 . A A . 2 ARG NH2 1 1 13 2539 1 1 2 ARG O O 5.340 1.913 1.689 1.00 . A A . 2 ARG O 1 1 13 2540 1 1 3 CYS C C 9.126 2.297 1.301 1.00 . A A . 3 CYS C 1 1 13 2541 1 1 3 CYS CA C 7.991 1.284 1.178 1.00 . A A . 3 CYS CA 1 1 13 2542 1 1 3 CYS CB C 8.554 -0.086 0.796 1.00 . A A . 3 CYS CB 1 1 13 2543 1 1 3 CYS H H 7.281 1.810 -0.746 1.00 . A A . 3 CYS H 1 1 13 2544 1 1 3 CYS HA H 7.491 1.205 2.132 1.00 . A A . 3 CYS HA 1 1 13 2545 1 1 3 CYS HB2 H 7.741 -0.728 0.489 1.00 . A A . 3 CYS HB2 1 1 13 2546 1 1 3 CYS HB3 H 9.242 0.034 -0.028 1.00 . A A . 3 CYS HB3 1 1 13 2547 1 1 3 CYS N N 7.009 1.721 0.192 1.00 . A A . 3 CYS N 1 1 13 2548 1 1 3 CYS O O 9.385 3.071 0.379 1.00 . A A . 3 CYS O 1 1 13 2549 1 1 3 CYS SG S 9.442 -0.927 2.145 1.00 . A A . 3 CYS SG 1 1 13 2550 1 1 4 THR C C 12.134 2.812 1.875 1.00 . A A . 4 THR C 1 1 13 2551 1 1 4 THR CA C 10.907 3.202 2.691 1.00 . A A . 4 THR CA 1 1 13 2552 1 1 4 THR CB C 11.287 3.238 4.183 1.00 . A A . 4 THR CB 1 1 13 2553 1 1 4 THR CG2 C 10.242 3.996 4.989 1.00 . A A . 4 THR CG2 1 1 13 2554 1 1 4 THR H H 9.546 1.645 3.143 1.00 . A A . 4 THR H 1 1 13 2555 1 1 4 THR HA H 10.591 4.192 2.397 1.00 . A A . 4 THR HA 1 1 13 2556 1 1 4 THR HB H 12.236 3.745 4.285 1.00 . A A . 4 THR HB 1 1 13 2557 1 1 4 THR HG1 H 12.342 1.674 4.755 1.00 . A A . 4 THR HG1 1 1 13 2558 1 1 4 THR HG21 H 10.023 4.935 4.503 1.00 . A A . 4 THR HG21 1 1 13 2559 1 1 4 THR HG22 H 10.621 4.184 5.983 1.00 . A A . 4 THR HG22 1 1 13 2560 1 1 4 THR HG23 H 9.340 3.405 5.053 1.00 . A A . 4 THR HG23 1 1 13 2561 1 1 4 THR N N 9.801 2.285 2.446 1.00 . A A . 4 THR N 1 1 13 2562 1 1 4 THR O O 12.628 1.690 1.979 1.00 . A A . 4 THR O 1 1 13 2563 1 1 4 THR OG1 O 11.413 1.905 4.690 1.00 . A A . 4 THR OG1 1 1 13 2564 1 1 5 GLN C C 15.016 3.191 1.089 1.00 . A A . 5 GLN C 1 1 13 2565 1 1 5 GLN CA C 13.793 3.499 0.232 1.00 . A A . 5 GLN CA 1 1 13 2566 1 1 5 GLN CB C 14.073 4.708 -0.662 1.00 . A A . 5 GLN CB 1 1 13 2567 1 1 5 GLN CD C 14.555 3.537 -2.848 1.00 . A A . 5 GLN CD 1 1 13 2568 1 1 5 GLN CG C 15.096 4.435 -1.752 1.00 . A A . 5 GLN CG 1 1 13 2569 1 1 5 GLN H H 12.184 4.622 1.027 1.00 . A A . 5 GLN H 1 1 13 2570 1 1 5 GLN HA H 13.581 2.644 -0.391 1.00 . A A . 5 GLN HA 1 1 13 2571 1 1 5 GLN HB2 H 13.151 5.015 -1.132 1.00 . A A . 5 GLN HB2 1 1 13 2572 1 1 5 GLN HB3 H 14.441 5.517 -0.048 1.00 . A A . 5 GLN HB3 1 1 13 2573 1 1 5 GLN HE21 H 13.687 5.094 -3.729 1.00 . A A . 5 GLN HE21 1 1 13 2574 1 1 5 GLN HE22 H 13.468 3.570 -4.512 1.00 . A A . 5 GLN HE22 1 1 13 2575 1 1 5 GLN HG2 H 15.394 5.374 -2.193 1.00 . A A . 5 GLN HG2 1 1 13 2576 1 1 5 GLN HG3 H 15.957 3.957 -1.308 1.00 . A A . 5 GLN HG3 1 1 13 2577 1 1 5 GLN N N 12.622 3.747 1.065 1.00 . A A . 5 GLN N 1 1 13 2578 1 1 5 GLN NE2 N 13.830 4.126 -3.792 1.00 . A A . 5 GLN NE2 1 1 13 2579 1 1 5 GLN O O 15.812 2.313 0.759 1.00 . A A . 5 GLN O 1 1 13 2580 1 1 5 GLN OE1 O 14.787 2.328 -2.847 1.00 . A A . 5 GLN OE1 1 1 13 2581 1 1 6 ALA C C 15.912 2.784 4.238 1.00 . A A . 6 ALA C 1 1 13 2582 1 1 6 ALA CA C 16.284 3.724 3.096 1.00 . A A . 6 ALA CA 1 1 13 2583 1 1 6 ALA CB C 16.760 5.061 3.645 1.00 . A A . 6 ALA CB 1 1 13 2584 1 1 6 ALA H H 14.491 4.606 2.401 1.00 . A A . 6 ALA H 1 1 13 2585 1 1 6 ALA HA H 17.094 3.285 2.532 1.00 . A A . 6 ALA HA 1 1 13 2586 1 1 6 ALA HB1 H 16.466 5.149 4.681 1.00 . A A . 6 ALA HB1 1 1 13 2587 1 1 6 ALA HB2 H 17.836 5.118 3.569 1.00 . A A . 6 ALA HB2 1 1 13 2588 1 1 6 ALA HB3 H 16.315 5.863 3.074 1.00 . A A . 6 ALA HB3 1 1 13 2589 1 1 6 ALA N N 15.159 3.921 2.191 1.00 . A A . 6 ALA N 1 1 13 2590 1 1 6 ALA O O 14.862 2.143 4.210 1.00 . A A . 6 ALA O 1 1 13 2591 1 1 7 TRP C C 16.078 2.656 7.594 1.00 . A A . 7 TRP C 1 1 13 2592 1 1 7 TRP CA C 16.543 1.843 6.392 1.00 . A A . 7 TRP CA 1 1 13 2593 1 1 7 TRP CB C 17.813 1.068 6.745 1.00 . A A . 7 TRP CB 1 1 13 2594 1 1 7 TRP CD1 C 17.345 -0.634 4.886 1.00 . A A . 7 TRP CD1 1 1 13 2595 1 1 7 TRP CD2 C 18.555 -1.441 6.590 1.00 . A A . 7 TRP CD2 1 1 13 2596 1 1 7 TRP CE2 C 18.369 -2.468 5.645 1.00 . A A . 7 TRP CE2 1 1 13 2597 1 1 7 TRP CE3 C 19.288 -1.715 7.748 1.00 . A A . 7 TRP CE3 1 1 13 2598 1 1 7 TRP CG C 17.892 -0.276 6.086 1.00 . A A . 7 TRP CG 1 1 13 2599 1 1 7 TRP CH2 C 19.604 -3.988 6.966 1.00 . A A . 7 TRP CH2 1 1 13 2600 1 1 7 TRP CZ2 C 18.890 -3.747 5.824 1.00 . A A . 7 TRP CZ2 1 1 13 2601 1 1 7 TRP CZ3 C 19.804 -2.985 7.924 1.00 . A A . 7 TRP CZ3 1 1 13 2602 1 1 7 TRP H H 17.601 3.241 5.205 1.00 . A A . 7 TRP H 1 1 13 2603 1 1 7 TRP HA H 15.767 1.141 6.124 1.00 . A A . 7 TRP HA 1 1 13 2604 1 1 7 TRP HB2 H 18.675 1.641 6.437 1.00 . A A . 7 TRP HB2 1 1 13 2605 1 1 7 TRP HB3 H 17.849 0.918 7.814 1.00 . A A . 7 TRP HB3 1 1 13 2606 1 1 7 TRP HD1 H 16.775 0.031 4.256 1.00 . A A . 7 TRP HD1 1 1 13 2607 1 1 7 TRP HE1 H 17.346 -2.440 3.814 1.00 . A A . 7 TRP HE1 1 1 13 2608 1 1 7 TRP HE3 H 19.453 -0.955 8.498 1.00 . A A . 7 TRP HE3 1 1 13 2609 1 1 7 TRP HH2 H 20.025 -4.965 7.145 1.00 . A A . 7 TRP HH2 1 1 13 2610 1 1 7 TRP HZ2 H 18.745 -4.530 5.094 1.00 . A A . 7 TRP HZ2 1 1 13 2611 1 1 7 TRP HZ3 H 20.372 -3.216 8.813 1.00 . A A . 7 TRP HZ3 1 1 13 2612 1 1 7 TRP N N 16.781 2.706 5.240 1.00 . A A . 7 TRP N 1 1 13 2613 1 1 7 TRP NE1 N 17.628 -1.951 4.615 1.00 . A A . 7 TRP NE1 1 1 13 2614 1 1 7 TRP O O 16.265 3.871 7.663 1.00 . A A . 7 TRP O 1 1 13 2615 1 1 8 PRO C C 14.193 0.154 7.441 1.00 . A A . 8 PRO C 1 1 13 2616 1 1 8 PRO CA C 15.228 0.526 8.497 1.00 . A A . 8 PRO CA 1 1 13 2617 1 1 8 PRO CB C 14.712 0.180 9.896 1.00 . A A . 8 PRO CB 1 1 13 2618 1 1 8 PRO CD C 14.930 2.559 9.811 1.00 . A A . 8 PRO CD 1 1 13 2619 1 1 8 PRO CG C 14.110 1.446 10.402 1.00 . A A . 8 PRO CG 1 1 13 2620 1 1 8 PRO HA H 16.145 -0.012 8.307 1.00 . A A . 8 PRO HA 1 1 13 2621 1 1 8 PRO HB2 H 13.976 -0.608 9.827 1.00 . A A . 8 PRO HB2 1 1 13 2622 1 1 8 PRO HB3 H 15.534 -0.141 10.518 1.00 . A A . 8 PRO HB3 1 1 13 2623 1 1 8 PRO HD2 H 14.306 3.416 9.600 1.00 . A A . 8 PRO HD2 1 1 13 2624 1 1 8 PRO HD3 H 15.734 2.831 10.479 1.00 . A A . 8 PRO HD3 1 1 13 2625 1 1 8 PRO HG2 H 13.084 1.521 10.074 1.00 . A A . 8 PRO HG2 1 1 13 2626 1 1 8 PRO HG3 H 14.164 1.472 11.480 1.00 . A A . 8 PRO HG3 1 1 13 2627 1 1 8 PRO N N 15.457 1.972 8.568 1.00 . A A . 8 PRO N 1 1 13 2628 1 1 8 PRO O O 13.421 0.990 6.971 1.00 . A A . 8 PRO O 1 1 13 2629 1 1 9 PRO C C 11.801 -1.673 6.561 1.00 . A A . 9 PRO C 1 1 13 2630 1 1 9 PRO CA C 13.238 -1.644 6.053 1.00 . A A . 9 PRO CA 1 1 13 2631 1 1 9 PRO CB C 13.741 -3.066 5.791 1.00 . A A . 9 PRO CB 1 1 13 2632 1 1 9 PRO CD C 15.066 -2.183 7.575 1.00 . A A . 9 PRO CD 1 1 13 2633 1 1 9 PRO CG C 14.457 -3.450 7.040 1.00 . A A . 9 PRO CG 1 1 13 2634 1 1 9 PRO HA H 13.284 -1.070 5.138 1.00 . A A . 9 PRO HA 1 1 13 2635 1 1 9 PRO HB2 H 12.901 -3.718 5.599 1.00 . A A . 9 PRO HB2 1 1 13 2636 1 1 9 PRO HB3 H 14.406 -3.065 4.940 1.00 . A A . 9 PRO HB3 1 1 13 2637 1 1 9 PRO HD2 H 15.066 -2.191 8.655 1.00 . A A . 9 PRO HD2 1 1 13 2638 1 1 9 PRO HD3 H 16.069 -2.058 7.196 1.00 . A A . 9 PRO HD3 1 1 13 2639 1 1 9 PRO HG2 H 13.758 -3.860 7.752 1.00 . A A . 9 PRO HG2 1 1 13 2640 1 1 9 PRO HG3 H 15.230 -4.170 6.813 1.00 . A A . 9 PRO HG3 1 1 13 2641 1 1 9 PRO N N 14.174 -1.131 7.057 1.00 . A A . 9 PRO N 1 1 13 2642 1 1 9 PRO O O 11.289 -2.726 6.942 1.00 . A A . 9 PRO O 1 1 13 2643 1 1 10 ILE C C 8.856 0.060 5.901 1.00 . A A . 10 ILE C 1 1 13 2644 1 1 10 ILE CA C 9.777 -0.405 7.024 1.00 . A A . 10 ILE CA 1 1 13 2645 1 1 10 ILE CB C 9.653 0.568 8.211 1.00 . A A . 10 ILE CB 1 1 13 2646 1 1 10 ILE CD1 C 9.256 3.061 7.887 1.00 . A A . 10 ILE CD1 1 1 13 2647 1 1 10 ILE CG1 C 10.256 1.927 7.849 1.00 . A A . 10 ILE CG1 1 1 13 2648 1 1 10 ILE CG2 C 10.334 -0.009 9.443 1.00 . A A . 10 ILE CG2 1 1 13 2649 1 1 10 ILE H H 11.617 0.293 6.248 1.00 . A A . 10 ILE H 1 1 13 2650 1 1 10 ILE HA H 9.459 -1.385 7.353 1.00 . A A . 10 ILE HA 1 1 13 2651 1 1 10 ILE HB H 8.605 0.696 8.436 1.00 . A A . 10 ILE HB 1 1 13 2652 1 1 10 ILE HD11 H 8.662 3.049 6.985 1.00 . A A . 10 ILE HD11 1 1 13 2653 1 1 10 ILE HD12 H 8.611 2.945 8.745 1.00 . A A . 10 ILE HD12 1 1 13 2654 1 1 10 ILE HD13 H 9.782 4.003 7.958 1.00 . A A . 10 ILE HD13 1 1 13 2655 1 1 10 ILE HG12 H 11.047 2.160 8.545 1.00 . A A . 10 ILE HG12 1 1 13 2656 1 1 10 ILE HG13 H 10.664 1.877 6.850 1.00 . A A . 10 ILE HG13 1 1 13 2657 1 1 10 ILE HG21 H 9.840 0.356 10.332 1.00 . A A . 10 ILE HG21 1 1 13 2658 1 1 10 ILE HG22 H 10.274 -1.086 9.416 1.00 . A A . 10 ILE HG22 1 1 13 2659 1 1 10 ILE HG23 H 11.370 0.295 9.457 1.00 . A A . 10 ILE HG23 1 1 13 2660 1 1 10 ILE N N 11.156 -0.512 6.564 1.00 . A A . 10 ILE N 1 1 13 2661 1 1 10 ILE O O 9.022 1.154 5.361 1.00 . A A . 10 ILE O 1 1 13 2662 1 1 11 CYS C C 5.586 -0.045 5.083 1.00 . A A . 11 CYS C 1 1 13 2663 1 1 11 CYS CA C 6.935 -0.452 4.497 1.00 . A A . 11 CYS CA 1 1 13 2664 1 1 11 CYS CB C 6.756 -1.648 3.559 1.00 . A A . 11 CYS CB 1 1 13 2665 1 1 11 CYS H H 7.803 -1.636 6.023 1.00 . A A . 11 CYS H 1 1 13 2666 1 1 11 CYS HA H 7.335 0.378 3.936 1.00 . A A . 11 CYS HA 1 1 13 2667 1 1 11 CYS HB2 H 6.234 -2.433 4.085 1.00 . A A . 11 CYS HB2 1 1 13 2668 1 1 11 CYS HB3 H 6.169 -1.341 2.706 1.00 . A A . 11 CYS HB3 1 1 13 2669 1 1 11 CYS N N 7.884 -0.777 5.555 1.00 . A A . 11 CYS N 1 1 13 2670 1 1 11 CYS O O 5.211 -0.485 6.169 1.00 . A A . 11 CYS O 1 1 13 2671 1 1 11 CYS SG S 8.320 -2.345 2.936 1.00 . A A . 11 CYS SG 1 1 13 2672 1 1 12 PHE C C 2.449 0.330 4.322 1.00 . A A . 12 PHE C 1 1 13 2673 1 1 12 PHE CA C 3.555 1.266 4.801 1.00 . A A . 12 PHE CA 1 1 13 2674 1 1 12 PHE CB C 3.295 2.684 4.289 1.00 . A A . 12 PHE CB 1 1 13 2675 1 1 12 PHE CD1 C 5.158 3.993 5.345 1.00 . A A . 12 PHE CD1 1 1 13 2676 1 1 12 PHE CD2 C 2.914 4.528 5.948 1.00 . A A . 12 PHE CD2 1 1 13 2677 1 1 12 PHE CE1 C 5.625 4.979 6.194 1.00 . A A . 12 PHE CE1 1 1 13 2678 1 1 12 PHE CE2 C 3.375 5.516 6.798 1.00 . A A . 12 PHE CE2 1 1 13 2679 1 1 12 PHE CG C 3.799 3.757 5.213 1.00 . A A . 12 PHE CG 1 1 13 2680 1 1 12 PHE CZ C 4.732 5.741 6.922 1.00 . A A . 12 PHE CZ 1 1 13 2681 1 1 12 PHE H H 5.215 1.114 3.496 1.00 . A A . 12 PHE H 1 1 13 2682 1 1 12 PHE HA H 3.559 1.277 5.880 1.00 . A A . 12 PHE HA 1 1 13 2683 1 1 12 PHE HB2 H 3.785 2.811 3.336 1.00 . A A . 12 PHE HB2 1 1 13 2684 1 1 12 PHE HB3 H 2.232 2.825 4.164 1.00 . A A . 12 PHE HB3 1 1 13 2685 1 1 12 PHE HD1 H 5.857 3.397 4.776 1.00 . A A . 12 PHE HD1 1 1 13 2686 1 1 12 PHE HD2 H 1.852 4.353 5.854 1.00 . A A . 12 PHE HD2 1 1 13 2687 1 1 12 PHE HE1 H 6.686 5.152 6.288 1.00 . A A . 12 PHE HE1 1 1 13 2688 1 1 12 PHE HE2 H 2.675 6.110 7.366 1.00 . A A . 12 PHE HE2 1 1 13 2689 1 1 12 PHE HZ H 5.094 6.512 7.585 1.00 . A A . 12 PHE HZ 1 1 13 2690 1 1 12 PHE N N 4.862 0.798 4.355 1.00 . A A . 12 PHE N 1 1 13 2691 1 1 12 PHE O O 2.626 -0.455 3.390 1.00 . A A . 12 PHE O 1 1 13 2692 1 1 13 PRO C C -0.489 -0.039 3.290 1.00 . A A . 13 PRO C 1 1 13 2693 1 1 13 PRO CA C 0.122 -0.419 4.634 1.00 . A A . 13 PRO CA 1 1 13 2694 1 1 13 PRO CB C -0.864 -0.136 5.770 1.00 . A A . 13 PRO CB 1 1 13 2695 1 1 13 PRO CD C 0.999 1.326 6.096 1.00 . A A . 13 PRO CD 1 1 13 2696 1 1 13 PRO CG C -0.491 1.218 6.267 1.00 . A A . 13 PRO CG 1 1 13 2697 1 1 13 PRO HA H 0.376 -1.469 4.629 1.00 . A A . 13 PRO HA 1 1 13 2698 1 1 13 PRO HB2 H -1.874 -0.152 5.385 1.00 . A A . 13 PRO HB2 1 1 13 2699 1 1 13 PRO HB3 H -0.755 -0.884 6.541 1.00 . A A . 13 PRO HB3 1 1 13 2700 1 1 13 PRO HD2 H 1.278 2.339 5.847 1.00 . A A . 13 PRO HD2 1 1 13 2701 1 1 13 PRO HD3 H 1.506 1.002 6.992 1.00 . A A . 13 PRO HD3 1 1 13 2702 1 1 13 PRO HG2 H -0.992 1.974 5.683 1.00 . A A . 13 PRO HG2 1 1 13 2703 1 1 13 PRO HG3 H -0.756 1.311 7.310 1.00 . A A . 13 PRO HG3 1 1 13 2704 1 1 13 PRO N N 1.280 0.413 4.975 1.00 . A A . 13 PRO N 1 1 13 2705 1 1 13 PRO O O -0.992 -0.895 2.562 1.00 . A A . 13 PRO O 1 1 13 2706 1 1 14 ASP C C -0.260 1.128 0.520 1.00 . A A . 14 ASP C 1 1 13 2707 1 1 14 ASP CA C -0.991 1.743 1.709 1.00 . A A . 14 ASP CA 1 1 13 2708 1 1 14 ASP CB C -0.894 3.268 1.650 1.00 . A A . 14 ASP CB 1 1 13 2709 1 1 14 ASP CG C 0.540 3.756 1.608 1.00 . A A . 14 ASP CG 1 1 13 2710 1 1 14 ASP H H -0.028 1.883 3.590 1.00 . A A . 14 ASP H 1 1 13 2711 1 1 14 ASP HA H -2.030 1.455 1.665 1.00 . A A . 14 ASP HA 1 1 13 2712 1 1 14 ASP HB2 H -1.400 3.620 0.763 1.00 . A A . 14 ASP HB2 1 1 13 2713 1 1 14 ASP HB3 H -1.373 3.686 2.523 1.00 . A A . 14 ASP HB3 1 1 13 2714 1 1 14 ASP N N -0.442 1.249 2.967 1.00 . A A . 14 ASP N 1 1 13 2715 1 1 14 ASP O O -0.840 0.946 -0.551 1.00 . A A . 14 ASP O 1 1 13 2716 1 1 14 ASP OD1 O 1.129 3.777 0.507 1.00 . A A . 14 ASP OD1 1 1 13 2717 1 1 14 ASP OD2 O 1.074 4.119 2.677 1.00 . A A . 14 ASP OD2 1 1 14 2718 1 1 1 GLY C C 2.814 0.649 -1.004 1.00 . A A . 1 GLY C 1 1 14 2719 1 1 1 GLY CA C 1.403 0.096 -1.056 1.00 . A A . 1 GLY CA 1 1 14 2720 1 1 1 GLY H1 H 1.133 0.708 0.953 1.00 . A A . 1 GLY H1 1 1 14 2721 1 1 1 GLY HA2 H 1.447 -0.950 -1.320 1.00 . A A . 1 GLY HA2 1 1 14 2722 1 1 1 GLY HA3 H 0.850 0.626 -1.817 1.00 . A A . 1 GLY HA3 1 1 14 2723 1 1 1 GLY N N 0.707 0.232 0.210 1.00 . A A . 1 GLY N 1 1 14 2724 1 1 1 GLY O O 3.779 -0.069 -1.268 1.00 . A A . 1 GLY O 1 1 14 2725 1 1 2 ARG C C 5.193 1.769 0.294 1.00 . A A . 2 ARG C 1 1 14 2726 1 1 2 ARG CA C 4.237 2.577 -0.580 1.00 . A A . 2 ARG CA 1 1 14 2727 1 1 2 ARG CB C 4.091 3.993 -0.020 1.00 . A A . 2 ARG CB 1 1 14 2728 1 1 2 ARG CD C 4.998 6.335 0.063 1.00 . A A . 2 ARG CD 1 1 14 2729 1 1 2 ARG CG C 5.284 4.888 -0.309 1.00 . A A . 2 ARG CG 1 1 14 2730 1 1 2 ARG CZ C 7.071 6.942 1.238 1.00 . A A . 2 ARG CZ 1 1 14 2731 1 1 2 ARG H H 2.128 2.448 -0.463 1.00 . A A . 2 ARG H 1 1 14 2732 1 1 2 ARG HA H 4.644 2.634 -1.579 1.00 . A A . 2 ARG HA 1 1 14 2733 1 1 2 ARG HB2 H 3.213 4.449 -0.453 1.00 . A A . 2 ARG HB2 1 1 14 2734 1 1 2 ARG HB3 H 3.965 3.932 1.051 1.00 . A A . 2 ARG HB3 1 1 14 2735 1 1 2 ARG HD2 H 4.403 6.783 -0.719 1.00 . A A . 2 ARG HD2 1 1 14 2736 1 1 2 ARG HD3 H 4.446 6.351 0.990 1.00 . A A . 2 ARG HD3 1 1 14 2737 1 1 2 ARG HE H 6.426 7.790 -0.449 1.00 . A A . 2 ARG HE 1 1 14 2738 1 1 2 ARG HG2 H 6.131 4.541 0.266 1.00 . A A . 2 ARG HG2 1 1 14 2739 1 1 2 ARG HG3 H 5.516 4.835 -1.362 1.00 . A A . 2 ARG HG3 1 1 14 2740 1 1 2 ARG HH11 H 6.000 5.467 2.110 1.00 . A A . 2 ARG HH11 1 1 14 2741 1 1 2 ARG HH12 H 7.464 5.905 2.927 1.00 . A A . 2 ARG HH12 1 1 14 2742 1 1 2 ARG HH21 H 8.355 8.375 0.619 1.00 . A A . 2 ARG HH21 1 1 14 2743 1 1 2 ARG HH22 H 8.802 7.560 2.079 1.00 . A A . 2 ARG HH22 1 1 14 2744 1 1 2 ARG N N 2.935 1.928 -0.663 1.00 . A A . 2 ARG N 1 1 14 2745 1 1 2 ARG NE N 6.225 7.111 0.228 1.00 . A A . 2 ARG NE 1 1 14 2746 1 1 2 ARG NH1 N 6.824 6.031 2.168 1.00 . A A . 2 ARG NH1 1 1 14 2747 1 1 2 ARG NH2 N 8.166 7.687 1.318 1.00 . A A . 2 ARG NH2 1 1 14 2748 1 1 2 ARG O O 4.764 1.008 1.162 1.00 . A A . 2 ARG O 1 1 14 2749 1 1 3 CYS C C 8.830 1.985 0.807 1.00 . A A . 3 CYS C 1 1 14 2750 1 1 3 CYS CA C 7.506 1.226 0.822 1.00 . A A . 3 CYS CA 1 1 14 2751 1 1 3 CYS CB C 7.705 -0.182 0.256 1.00 . A A . 3 CYS CB 1 1 14 2752 1 1 3 CYS H H 6.770 2.559 -0.648 1.00 . A A . 3 CYS H 1 1 14 2753 1 1 3 CYS HA H 7.161 1.148 1.842 1.00 . A A . 3 CYS HA 1 1 14 2754 1 1 3 CYS HB2 H 7.486 -0.170 -0.802 1.00 . A A . 3 CYS HB2 1 1 14 2755 1 1 3 CYS HB3 H 8.734 -0.478 0.402 1.00 . A A . 3 CYS HB3 1 1 14 2756 1 1 3 CYS N N 6.489 1.939 0.058 1.00 . A A . 3 CYS N 1 1 14 2757 1 1 3 CYS O O 9.042 2.869 -0.024 1.00 . A A . 3 CYS O 1 1 14 2758 1 1 3 CYS SG S 6.648 -1.450 1.025 1.00 . A A . 3 CYS SG 1 1 14 2759 1 1 4 THR C C 12.116 1.399 1.236 1.00 . A A . 4 THR C 1 1 14 2760 1 1 4 THR CA C 11.020 2.280 1.826 1.00 . A A . 4 THR CA 1 1 14 2761 1 1 4 THR CB C 11.377 2.615 3.286 1.00 . A A . 4 THR CB 1 1 14 2762 1 1 4 THR CG2 C 10.423 3.658 3.850 1.00 . A A . 4 THR CG2 1 1 14 2763 1 1 4 THR H H 9.490 0.921 2.365 1.00 . A A . 4 THR H 1 1 14 2764 1 1 4 THR HA H 10.975 3.204 1.267 1.00 . A A . 4 THR HA 1 1 14 2765 1 1 4 THR HB H 12.380 3.014 3.313 1.00 . A A . 4 THR HB 1 1 14 2766 1 1 4 THR HG1 H 11.481 0.661 3.534 1.00 . A A . 4 THR HG1 1 1 14 2767 1 1 4 THR HG21 H 10.974 4.554 4.095 1.00 . A A . 4 THR HG21 1 1 14 2768 1 1 4 THR HG22 H 9.952 3.270 4.741 1.00 . A A . 4 THR HG22 1 1 14 2769 1 1 4 THR HG23 H 9.668 3.890 3.115 1.00 . A A . 4 THR HG23 1 1 14 2770 1 1 4 THR N N 9.718 1.633 1.732 1.00 . A A . 4 THR N 1 1 14 2771 1 1 4 THR O O 12.105 0.181 1.410 1.00 . A A . 4 THR O 1 1 14 2772 1 1 4 THR OG1 O 11.323 1.430 4.088 1.00 . A A . 4 THR OG1 1 1 14 2773 1 1 5 GLN C C 15.308 1.103 0.915 1.00 . A A . 5 GLN C 1 1 14 2774 1 1 5 GLN CA C 14.163 1.295 -0.074 1.00 . A A . 5 GLN CA 1 1 14 2775 1 1 5 GLN CB C 14.665 2.037 -1.314 1.00 . A A . 5 GLN CB 1 1 14 2776 1 1 5 GLN CD C 15.673 4.152 -2.259 1.00 . A A . 5 GLN CD 1 1 14 2777 1 1 5 GLN CG C 15.131 3.455 -1.027 1.00 . A A . 5 GLN CG 1 1 14 2778 1 1 5 GLN H H 13.014 2.997 0.437 1.00 . A A . 5 GLN H 1 1 14 2779 1 1 5 GLN HA H 13.795 0.325 -0.372 1.00 . A A . 5 GLN HA 1 1 14 2780 1 1 5 GLN HB2 H 15.492 1.488 -1.738 1.00 . A A . 5 GLN HB2 1 1 14 2781 1 1 5 GLN HB3 H 13.865 2.085 -2.039 1.00 . A A . 5 GLN HB3 1 1 14 2782 1 1 5 GLN HE21 H 17.007 2.701 -2.524 1.00 . A A . 5 GLN HE21 1 1 14 2783 1 1 5 GLN HE22 H 17.046 3.979 -3.686 1.00 . A A . 5 GLN HE22 1 1 14 2784 1 1 5 GLN HG2 H 14.296 4.026 -0.648 1.00 . A A . 5 GLN HG2 1 1 14 2785 1 1 5 GLN HG3 H 15.910 3.420 -0.279 1.00 . A A . 5 GLN HG3 1 1 14 2786 1 1 5 GLN N N 13.060 2.024 0.540 1.00 . A A . 5 GLN N 1 1 14 2787 1 1 5 GLN NE2 N 16.677 3.551 -2.886 1.00 . A A . 5 GLN NE2 1 1 14 2788 1 1 5 GLN O O 15.978 0.071 0.911 1.00 . A A . 5 GLN O 1 1 14 2789 1 1 5 GLN OE1 O 15.195 5.220 -2.643 1.00 . A A . 5 GLN OE1 1 1 14 2790 1 1 6 ALA C C 16.078 1.452 4.069 1.00 . A A . 6 ALA C 1 1 14 2791 1 1 6 ALA CA C 16.587 2.044 2.759 1.00 . A A . 6 ALA CA 1 1 14 2792 1 1 6 ALA CB C 17.168 3.430 2.995 1.00 . A A . 6 ALA CB 1 1 14 2793 1 1 6 ALA H H 14.957 2.901 1.716 1.00 . A A . 6 ALA H 1 1 14 2794 1 1 6 ALA HA H 17.374 1.412 2.371 1.00 . A A . 6 ALA HA 1 1 14 2795 1 1 6 ALA HB1 H 16.491 4.003 3.611 1.00 . A A . 6 ALA HB1 1 1 14 2796 1 1 6 ALA HB2 H 18.121 3.341 3.494 1.00 . A A . 6 ALA HB2 1 1 14 2797 1 1 6 ALA HB3 H 17.303 3.930 2.047 1.00 . A A . 6 ALA HB3 1 1 14 2798 1 1 6 ALA N N 15.525 2.104 1.762 1.00 . A A . 6 ALA N 1 1 14 2799 1 1 6 ALA O O 14.948 0.970 4.145 1.00 . A A . 6 ALA O 1 1 14 2800 1 1 7 TRP C C 16.263 2.081 7.389 1.00 . A A . 7 TRP C 1 1 14 2801 1 1 7 TRP CA C 16.554 0.955 6.403 1.00 . A A . 7 TRP CA 1 1 14 2802 1 1 7 TRP CB C 17.673 0.064 6.943 1.00 . A A . 7 TRP CB 1 1 14 2803 1 1 7 TRP CD1 C 19.529 1.806 7.246 1.00 . A A . 7 TRP CD1 1 1 14 2804 1 1 7 TRP CD2 C 20.100 0.067 5.954 1.00 . A A . 7 TRP CD2 1 1 14 2805 1 1 7 TRP CE2 C 21.199 0.944 6.039 1.00 . A A . 7 TRP CE2 1 1 14 2806 1 1 7 TRP CE3 C 20.226 -1.099 5.195 1.00 . A A . 7 TRP CE3 1 1 14 2807 1 1 7 TRP CG C 19.042 0.637 6.734 1.00 . A A . 7 TRP CG 1 1 14 2808 1 1 7 TRP CH2 C 22.501 -0.459 4.656 1.00 . A A . 7 TRP CH2 1 1 14 2809 1 1 7 TRP CZ2 C 22.405 0.690 5.392 1.00 . A A . 7 TRP CZ2 1 1 14 2810 1 1 7 TRP CZ3 C 21.424 -1.349 4.553 1.00 . A A . 7 TRP CZ3 1 1 14 2811 1 1 7 TRP H H 17.807 1.886 4.972 1.00 . A A . 7 TRP H 1 1 14 2812 1 1 7 TRP HA H 15.661 0.361 6.279 1.00 . A A . 7 TRP HA 1 1 14 2813 1 1 7 TRP HB2 H 17.531 -0.079 8.004 1.00 . A A . 7 TRP HB2 1 1 14 2814 1 1 7 TRP HB3 H 17.632 -0.894 6.445 1.00 . A A . 7 TRP HB3 1 1 14 2815 1 1 7 TRP HD1 H 18.965 2.473 7.880 1.00 . A A . 7 TRP HD1 1 1 14 2816 1 1 7 TRP HE1 H 21.390 2.763 7.068 1.00 . A A . 7 TRP HE1 1 1 14 2817 1 1 7 TRP HE3 H 19.407 -1.797 5.104 1.00 . A A . 7 TRP HE3 1 1 14 2818 1 1 7 TRP HH2 H 23.417 -0.695 4.137 1.00 . A A . 7 TRP HH2 1 1 14 2819 1 1 7 TRP HZ2 H 23.245 1.366 5.462 1.00 . A A . 7 TRP HZ2 1 1 14 2820 1 1 7 TRP HZ3 H 21.539 -2.246 3.961 1.00 . A A . 7 TRP HZ3 1 1 14 2821 1 1 7 TRP N N 16.919 1.490 5.096 1.00 . A A . 7 TRP N 1 1 14 2822 1 1 7 TRP NE1 N 20.825 1.997 6.832 1.00 . A A . 7 TRP NE1 1 1 14 2823 1 1 7 TRP O O 16.712 3.215 7.223 1.00 . A A . 7 TRP O 1 1 14 2824 1 1 8 PRO C C 13.876 0.062 7.629 1.00 . A A . 8 PRO C 1 1 14 2825 1 1 8 PRO CA C 14.953 0.417 8.648 1.00 . A A . 8 PRO CA 1 1 14 2826 1 1 8 PRO CB C 14.354 0.488 10.055 1.00 . A A . 8 PRO CB 1 1 14 2827 1 1 8 PRO CD C 15.092 2.695 9.508 1.00 . A A . 8 PRO CD 1 1 14 2828 1 1 8 PRO CG C 14.039 1.930 10.260 1.00 . A A . 8 PRO CG 1 1 14 2829 1 1 8 PRO HA H 15.731 -0.331 8.624 1.00 . A A . 8 PRO HA 1 1 14 2830 1 1 8 PRO HB2 H 13.463 -0.123 10.102 1.00 . A A . 8 PRO HB2 1 1 14 2831 1 1 8 PRO HB3 H 15.077 0.136 10.776 1.00 . A A . 8 PRO HB3 1 1 14 2832 1 1 8 PRO HD2 H 14.675 3.601 9.093 1.00 . A A . 8 PRO HD2 1 1 14 2833 1 1 8 PRO HD3 H 15.927 2.923 10.154 1.00 . A A . 8 PRO HD3 1 1 14 2834 1 1 8 PRO HG2 H 13.059 2.151 9.864 1.00 . A A . 8 PRO HG2 1 1 14 2835 1 1 8 PRO HG3 H 14.082 2.168 11.313 1.00 . A A . 8 PRO HG3 1 1 14 2836 1 1 8 PRO N N 15.493 1.764 8.441 1.00 . A A . 8 PRO N 1 1 14 2837 1 1 8 PRO O O 13.374 0.915 6.897 1.00 . A A . 8 PRO O 1 1 14 2838 1 1 9 PRO C C 11.090 -1.243 7.019 1.00 . A A . 9 PRO C 1 1 14 2839 1 1 9 PRO CA C 12.489 -1.726 6.652 1.00 . A A . 9 PRO CA 1 1 14 2840 1 1 9 PRO CB C 12.586 -3.246 6.801 1.00 . A A . 9 PRO CB 1 1 14 2841 1 1 9 PRO CD C 14.067 -2.300 8.420 1.00 . A A . 9 PRO CD 1 1 14 2842 1 1 9 PRO CG C 13.143 -3.459 8.166 1.00 . A A . 9 PRO CG 1 1 14 2843 1 1 9 PRO HA H 12.708 -1.447 5.632 1.00 . A A . 9 PRO HA 1 1 14 2844 1 1 9 PRO HB2 H 11.602 -3.683 6.702 1.00 . A A . 9 PRO HB2 1 1 14 2845 1 1 9 PRO HB3 H 13.240 -3.645 6.040 1.00 . A A . 9 PRO HB3 1 1 14 2846 1 1 9 PRO HD2 H 14.044 -2.021 9.464 1.00 . A A . 9 PRO HD2 1 1 14 2847 1 1 9 PRO HD3 H 15.074 -2.546 8.116 1.00 . A A . 9 PRO HD3 1 1 14 2848 1 1 9 PRO HG2 H 12.345 -3.468 8.891 1.00 . A A . 9 PRO HG2 1 1 14 2849 1 1 9 PRO HG3 H 13.692 -4.389 8.197 1.00 . A A . 9 PRO HG3 1 1 14 2850 1 1 9 PRO N N 13.511 -1.228 7.578 1.00 . A A . 9 PRO N 1 1 14 2851 1 1 9 PRO O O 10.338 -1.946 7.695 1.00 . A A . 9 PRO O 1 1 14 2852 1 1 10 ILE C C 8.557 0.531 5.605 1.00 . A A . 10 ILE C 1 1 14 2853 1 1 10 ILE CA C 9.438 0.535 6.850 1.00 . A A . 10 ILE CA 1 1 14 2854 1 1 10 ILE CB C 9.557 1.978 7.376 1.00 . A A . 10 ILE CB 1 1 14 2855 1 1 10 ILE CD1 C 9.845 1.174 9.774 1.00 . A A . 10 ILE CD1 1 1 14 2856 1 1 10 ILE CG1 C 10.408 2.012 8.647 1.00 . A A . 10 ILE CG1 1 1 14 2857 1 1 10 ILE CG2 C 8.177 2.561 7.640 1.00 . A A . 10 ILE CG2 1 1 14 2858 1 1 10 ILE H H 11.390 0.472 6.037 1.00 . A A . 10 ILE H 1 1 14 2859 1 1 10 ILE HA H 8.966 -0.067 7.613 1.00 . A A . 10 ILE HA 1 1 14 2860 1 1 10 ILE HB H 10.035 2.576 6.615 1.00 . A A . 10 ILE HB 1 1 14 2861 1 1 10 ILE HD11 H 8.862 1.536 10.034 1.00 . A A . 10 ILE HD11 1 1 14 2862 1 1 10 ILE HD12 H 9.780 0.144 9.459 1.00 . A A . 10 ILE HD12 1 1 14 2863 1 1 10 ILE HD13 H 10.494 1.248 10.635 1.00 . A A . 10 ILE HD13 1 1 14 2864 1 1 10 ILE HG12 H 11.396 1.642 8.421 1.00 . A A . 10 ILE HG12 1 1 14 2865 1 1 10 ILE HG13 H 10.481 3.032 8.995 1.00 . A A . 10 ILE HG13 1 1 14 2866 1 1 10 ILE HG21 H 7.530 1.791 8.032 1.00 . A A . 10 ILE HG21 1 1 14 2867 1 1 10 ILE HG22 H 8.257 3.362 8.360 1.00 . A A . 10 ILE HG22 1 1 14 2868 1 1 10 ILE HG23 H 7.765 2.944 6.719 1.00 . A A . 10 ILE HG23 1 1 14 2869 1 1 10 ILE N N 10.747 -0.040 6.570 1.00 . A A . 10 ILE N 1 1 14 2870 1 1 10 ILE O O 8.795 1.285 4.661 1.00 . A A . 10 ILE O 1 1 14 2871 1 1 11 CYS C C 5.229 0.068 4.867 1.00 . A A . 11 CYS C 1 1 14 2872 1 1 11 CYS CA C 6.621 -0.425 4.482 1.00 . A A . 11 CYS CA 1 1 14 2873 1 1 11 CYS CB C 6.544 -1.872 3.990 1.00 . A A . 11 CYS CB 1 1 14 2874 1 1 11 CYS H H 7.401 -0.898 6.392 1.00 . A A . 11 CYS H 1 1 14 2875 1 1 11 CYS HA H 7.002 0.197 3.686 1.00 . A A . 11 CYS HA 1 1 14 2876 1 1 11 CYS HB2 H 6.820 -2.533 4.798 1.00 . A A . 11 CYS HB2 1 1 14 2877 1 1 11 CYS HB3 H 5.530 -2.087 3.687 1.00 . A A . 11 CYS HB3 1 1 14 2878 1 1 11 CYS N N 7.539 -0.322 5.610 1.00 . A A . 11 CYS N 1 1 14 2879 1 1 11 CYS O O 4.679 -0.331 5.894 1.00 . A A . 11 CYS O 1 1 14 2880 1 1 11 CYS SG S 7.636 -2.236 2.578 1.00 . A A . 11 CYS SG 1 1 14 2881 1 1 12 PHE C C 2.263 0.417 4.104 1.00 . A A . 12 PHE C 1 1 14 2882 1 1 12 PHE CA C 3.337 1.485 4.289 1.00 . A A . 12 PHE CA 1 1 14 2883 1 1 12 PHE CB C 3.063 2.666 3.355 1.00 . A A . 12 PHE CB 1 1 14 2884 1 1 12 PHE CD1 C 4.740 4.325 4.212 1.00 . A A . 12 PHE CD1 1 1 14 2885 1 1 12 PHE CD2 C 2.432 4.922 4.255 1.00 . A A . 12 PHE CD2 1 1 14 2886 1 1 12 PHE CE1 C 5.071 5.549 4.761 1.00 . A A . 12 PHE CE1 1 1 14 2887 1 1 12 PHE CE2 C 2.757 6.148 4.803 1.00 . A A . 12 PHE CE2 1 1 14 2888 1 1 12 PHE CG C 3.419 3.998 3.952 1.00 . A A . 12 PHE CG 1 1 14 2889 1 1 12 PHE CZ C 4.077 6.462 5.058 1.00 . A A . 12 PHE CZ 1 1 14 2890 1 1 12 PHE H H 5.152 1.217 3.233 1.00 . A A . 12 PHE H 1 1 14 2891 1 1 12 PHE HA H 3.311 1.832 5.310 1.00 . A A . 12 PHE HA 1 1 14 2892 1 1 12 PHE HB2 H 3.641 2.543 2.452 1.00 . A A . 12 PHE HB2 1 1 14 2893 1 1 12 PHE HB3 H 2.013 2.683 3.106 1.00 . A A . 12 PHE HB3 1 1 14 2894 1 1 12 PHE HD1 H 5.518 3.611 3.980 1.00 . A A . 12 PHE HD1 1 1 14 2895 1 1 12 PHE HD2 H 1.398 4.678 4.057 1.00 . A A . 12 PHE HD2 1 1 14 2896 1 1 12 PHE HE1 H 6.104 5.791 4.959 1.00 . A A . 12 PHE HE1 1 1 14 2897 1 1 12 PHE HE2 H 1.978 6.860 5.035 1.00 . A A . 12 PHE HE2 1 1 14 2898 1 1 12 PHE HZ H 4.334 7.419 5.487 1.00 . A A . 12 PHE HZ 1 1 14 2899 1 1 12 PHE N N 4.664 0.937 4.036 1.00 . A A . 12 PHE N 1 1 14 2900 1 1 12 PHE O O 2.478 -0.611 3.463 1.00 . A A . 12 PHE O 1 1 14 2901 1 1 13 PRO C C -0.642 -0.332 3.189 1.00 . A A . 13 PRO C 1 1 14 2902 1 1 13 PRO CA C -0.054 -0.263 4.595 1.00 . A A . 13 PRO CA 1 1 14 2903 1 1 13 PRO CB C -1.073 0.329 5.572 1.00 . A A . 13 PRO CB 1 1 14 2904 1 1 13 PRO CD C 0.750 1.870 5.461 1.00 . A A . 13 PRO CD 1 1 14 2905 1 1 13 PRO CG C -0.741 1.780 5.633 1.00 . A A . 13 PRO CG 1 1 14 2906 1 1 13 PRO HA H 0.222 -1.256 4.917 1.00 . A A . 13 PRO HA 1 1 14 2907 1 1 13 PRO HB2 H -2.073 0.167 5.194 1.00 . A A . 13 PRO HB2 1 1 14 2908 1 1 13 PRO HB3 H -0.967 -0.142 6.537 1.00 . A A . 13 PRO HB3 1 1 14 2909 1 1 13 PRO HD2 H 1.013 2.765 4.916 1.00 . A A . 13 PRO HD2 1 1 14 2910 1 1 13 PRO HD3 H 1.243 1.853 6.421 1.00 . A A . 13 PRO HD3 1 1 14 2911 1 1 13 PRO HG2 H -1.244 2.306 4.836 1.00 . A A . 13 PRO HG2 1 1 14 2912 1 1 13 PRO HG3 H -1.032 2.182 6.592 1.00 . A A . 13 PRO HG3 1 1 14 2913 1 1 13 PRO N N 1.077 0.665 4.681 1.00 . A A . 13 PRO N 1 1 14 2914 1 1 13 PRO O O -0.902 -1.416 2.668 1.00 . A A . 13 PRO O 1 1 14 2915 1 1 14 ASP C C -0.616 0.015 0.275 1.00 . A A . 14 ASP C 1 1 14 2916 1 1 14 ASP CA C -1.402 0.902 1.235 1.00 . A A . 14 ASP CA 1 1 14 2917 1 1 14 ASP CB C -1.397 2.347 0.734 1.00 . A A . 14 ASP CB 1 1 14 2918 1 1 14 ASP CG C -0.135 3.091 1.125 1.00 . A A . 14 ASP CG 1 1 14 2919 1 1 14 ASP H H -0.619 1.662 3.049 1.00 . A A . 14 ASP H 1 1 14 2920 1 1 14 ASP HA H -2.422 0.550 1.277 1.00 . A A . 14 ASP HA 1 1 14 2921 1 1 14 ASP HB2 H -1.473 2.348 -0.344 1.00 . A A . 14 ASP HB2 1 1 14 2922 1 1 14 ASP HB3 H -2.245 2.869 1.151 1.00 . A A . 14 ASP HB3 1 1 14 2923 1 1 14 ASP N N -0.847 0.831 2.581 1.00 . A A . 14 ASP N 1 1 14 2924 1 1 14 ASP O O -1.120 -1.004 -0.199 1.00 . A A . 14 ASP O 1 1 14 2925 1 1 14 ASP OD1 O 0.720 3.315 0.242 1.00 . A A . 14 ASP OD1 1 1 14 2926 1 1 14 ASP OD2 O -0.003 3.451 2.313 1.00 . A A . 14 ASP OD2 1 1 15 2927 1 1 1 GLY C C 3.401 0.227 -0.542 1.00 . A A . 1 GLY C 1 1 15 2928 1 1 1 GLY CA C 2.030 -0.417 -0.471 1.00 . A A . 1 GLY CA 1 1 15 2929 1 1 1 GLY H1 H 1.604 0.485 1.397 1.00 . A A . 1 GLY H1 1 1 15 2930 1 1 1 GLY HA2 H 2.149 -1.472 -0.272 1.00 . A A . 1 GLY HA2 1 1 15 2931 1 1 1 GLY HA3 H 1.538 -0.295 -1.425 1.00 . A A . 1 GLY HA3 1 1 15 2932 1 1 1 GLY N N 1.197 0.165 0.564 1.00 . A A . 1 GLY N 1 1 15 2933 1 1 1 GLY O O 4.401 -0.451 -0.778 1.00 . A A . 1 GLY O 1 1 15 2934 1 1 2 ARG C C 5.747 1.628 0.525 1.00 . A A . 2 ARG C 1 1 15 2935 1 1 2 ARG CA C 4.705 2.275 -0.384 1.00 . A A . 2 ARG CA 1 1 15 2936 1 1 2 ARG CB C 4.484 3.731 0.031 1.00 . A A . 2 ARG CB 1 1 15 2937 1 1 2 ARG CD C 5.122 6.143 -0.267 1.00 . A A . 2 ARG CD 1 1 15 2938 1 1 2 ARG CG C 5.466 4.701 -0.605 1.00 . A A . 2 ARG CG 1 1 15 2939 1 1 2 ARG CZ C 5.386 8.383 -1.245 1.00 . A A . 2 ARG CZ 1 1 15 2940 1 1 2 ARG H H 2.616 2.025 -0.155 1.00 . A A . 2 ARG H 1 1 15 2941 1 1 2 ARG HA H 5.068 2.251 -1.401 1.00 . A A . 2 ARG HA 1 1 15 2942 1 1 2 ARG HB2 H 3.485 4.026 -0.252 1.00 . A A . 2 ARG HB2 1 1 15 2943 1 1 2 ARG HB3 H 4.583 3.805 1.104 1.00 . A A . 2 ARG HB3 1 1 15 2944 1 1 2 ARG HD2 H 4.048 6.239 -0.206 1.00 . A A . 2 ARG HD2 1 1 15 2945 1 1 2 ARG HD3 H 5.559 6.388 0.690 1.00 . A A . 2 ARG HD3 1 1 15 2946 1 1 2 ARG HE H 6.166 6.710 -2.001 1.00 . A A . 2 ARG HE 1 1 15 2947 1 1 2 ARG HG2 H 6.459 4.485 -0.242 1.00 . A A . 2 ARG HG2 1 1 15 2948 1 1 2 ARG HG3 H 5.437 4.576 -1.678 1.00 . A A . 2 ARG HG3 1 1 15 2949 1 1 2 ARG HH11 H 4.286 8.320 0.448 1.00 . A A . 2 ARG HH11 1 1 15 2950 1 1 2 ARG HH12 H 4.480 9.892 -0.252 1.00 . A A . 2 ARG HH12 1 1 15 2951 1 1 2 ARG HH21 H 6.429 8.775 -2.932 1.00 . A A . 2 ARG HH21 1 1 15 2952 1 1 2 ARG HH22 H 5.699 10.150 -2.176 1.00 . A A . 2 ARG HH22 1 1 15 2953 1 1 2 ARG N N 3.448 1.539 -0.339 1.00 . A A . 2 ARG N 1 1 15 2954 1 1 2 ARG NE N 5.624 7.076 -1.271 1.00 . A A . 2 ARG NE 1 1 15 2955 1 1 2 ARG NH1 N 4.657 8.908 -0.270 1.00 . A A . 2 ARG NH1 1 1 15 2956 1 1 2 ARG NH2 N 5.878 9.167 -2.196 1.00 . A A . 2 ARG NH2 1 1 15 2957 1 1 2 ARG O O 5.405 0.914 1.468 1.00 . A A . 2 ARG O 1 1 15 2958 1 1 3 CYS C C 9.268 2.313 1.124 1.00 . A A . 3 CYS C 1 1 15 2959 1 1 3 CYS CA C 8.110 1.325 1.023 1.00 . A A . 3 CYS CA 1 1 15 2960 1 1 3 CYS CB C 8.597 0.013 0.404 1.00 . A A . 3 CYS CB 1 1 15 2961 1 1 3 CYS H H 7.228 2.459 -0.531 1.00 . A A . 3 CYS H 1 1 15 2962 1 1 3 CYS HA H 7.734 1.127 2.016 1.00 . A A . 3 CYS HA 1 1 15 2963 1 1 3 CYS HB2 H 8.614 0.117 -0.672 1.00 . A A . 3 CYS HB2 1 1 15 2964 1 1 3 CYS HB3 H 9.596 -0.193 0.756 1.00 . A A . 3 CYS HB3 1 1 15 2965 1 1 3 CYS N N 7.018 1.882 0.234 1.00 . A A . 3 CYS N 1 1 15 2966 1 1 3 CYS O O 9.273 3.352 0.462 1.00 . A A . 3 CYS O 1 1 15 2967 1 1 3 CYS SG S 7.558 -1.428 0.804 1.00 . A A . 3 CYS SG 1 1 15 2968 1 1 4 THR C C 12.654 2.233 1.504 1.00 . A A . 4 THR C 1 1 15 2969 1 1 4 THR CA C 11.413 2.841 2.146 1.00 . A A . 4 THR CA 1 1 15 2970 1 1 4 THR CB C 11.691 3.089 3.641 1.00 . A A . 4 THR CB 1 1 15 2971 1 1 4 THR CG2 C 10.610 3.966 4.254 1.00 . A A . 4 THR CG2 1 1 15 2972 1 1 4 THR H H 10.189 1.142 2.457 1.00 . A A . 4 THR H 1 1 15 2973 1 1 4 THR HA H 11.206 3.792 1.677 1.00 . A A . 4 THR HA 1 1 15 2974 1 1 4 THR HB H 12.641 3.595 3.735 1.00 . A A . 4 THR HB 1 1 15 2975 1 1 4 THR HG1 H 12.174 1.182 3.782 1.00 . A A . 4 THR HG1 1 1 15 2976 1 1 4 THR HG21 H 9.714 3.382 4.403 1.00 . A A . 4 THR HG21 1 1 15 2977 1 1 4 THR HG22 H 10.397 4.791 3.591 1.00 . A A . 4 THR HG22 1 1 15 2978 1 1 4 THR HG23 H 10.953 4.347 5.204 1.00 . A A . 4 THR HG23 1 1 15 2979 1 1 4 THR N N 10.250 1.983 1.957 1.00 . A A . 4 THR N 1 1 15 2980 1 1 4 THR O O 13.141 1.190 1.939 1.00 . A A . 4 THR O 1 1 15 2981 1 1 4 THR OG1 O 11.755 1.841 4.341 1.00 . A A . 4 THR OG1 1 1 15 2982 1 1 5 GLN C C 15.524 2.265 0.724 1.00 . A A . 5 GLN C 1 1 15 2983 1 1 5 GLN CA C 14.348 2.415 -0.234 1.00 . A A . 5 GLN CA 1 1 15 2984 1 1 5 GLN CB C 14.717 3.375 -1.367 1.00 . A A . 5 GLN CB 1 1 15 2985 1 1 5 GLN CD C 14.362 3.987 -3.792 1.00 . A A . 5 GLN CD 1 1 15 2986 1 1 5 GLN CG C 13.810 3.260 -2.582 1.00 . A A . 5 GLN CG 1 1 15 2987 1 1 5 GLN H H 12.729 3.718 0.168 1.00 . A A . 5 GLN H 1 1 15 2988 1 1 5 GLN HA H 14.117 1.449 -0.655 1.00 . A A . 5 GLN HA 1 1 15 2989 1 1 5 GLN HB2 H 14.661 4.388 -0.997 1.00 . A A . 5 GLN HB2 1 1 15 2990 1 1 5 GLN HB3 H 15.730 3.171 -1.680 1.00 . A A . 5 GLN HB3 1 1 15 2991 1 1 5 GLN HE21 H 13.352 5.627 -3.298 1.00 . A A . 5 GLN HE21 1 1 15 2992 1 1 5 GLN HE22 H 14.309 5.738 -4.732 1.00 . A A . 5 GLN HE22 1 1 15 2993 1 1 5 GLN HG2 H 13.694 2.216 -2.831 1.00 . A A . 5 GLN HG2 1 1 15 2994 1 1 5 GLN HG3 H 12.846 3.680 -2.336 1.00 . A A . 5 GLN HG3 1 1 15 2995 1 1 5 GLN N N 13.162 2.892 0.467 1.00 . A A . 5 GLN N 1 1 15 2996 1 1 5 GLN NE2 N 13.968 5.244 -3.958 1.00 . A A . 5 GLN NE2 1 1 15 2997 1 1 5 GLN O O 16.333 1.348 0.591 1.00 . A A . 5 GLN O 1 1 15 2998 1 1 5 GLN OE1 O 15.133 3.425 -4.570 1.00 . A A . 5 GLN OE1 1 1 15 2999 1 1 6 ALA C C 16.261 2.395 3.933 1.00 . A A . 6 ALA C 1 1 15 3000 1 1 6 ALA CA C 16.689 3.140 2.673 1.00 . A A . 6 ALA CA 1 1 15 3001 1 1 6 ALA CB C 17.132 4.554 3.019 1.00 . A A . 6 ALA CB 1 1 15 3002 1 1 6 ALA H H 14.937 3.880 1.746 1.00 . A A . 6 ALA H 1 1 15 3003 1 1 6 ALA HA H 17.530 2.624 2.231 1.00 . A A . 6 ALA HA 1 1 15 3004 1 1 6 ALA HB1 H 18.050 4.515 3.587 1.00 . A A . 6 ALA HB1 1 1 15 3005 1 1 6 ALA HB2 H 17.295 5.113 2.109 1.00 . A A . 6 ALA HB2 1 1 15 3006 1 1 6 ALA HB3 H 16.366 5.038 3.606 1.00 . A A . 6 ALA HB3 1 1 15 3007 1 1 6 ALA N N 15.613 3.173 1.691 1.00 . A A . 6 ALA N 1 1 15 3008 1 1 6 ALA O O 15.204 1.764 3.963 1.00 . A A . 6 ALA O 1 1 15 3009 1 1 7 TRP C C 16.343 2.809 7.288 1.00 . A A . 7 TRP C 1 1 15 3010 1 1 7 TRP CA C 16.793 1.804 6.233 1.00 . A A . 7 TRP CA 1 1 15 3011 1 1 7 TRP CB C 18.023 1.041 6.728 1.00 . A A . 7 TRP CB 1 1 15 3012 1 1 7 TRP CD1 C 17.436 -0.955 5.231 1.00 . A A . 7 TRP CD1 1 1 15 3013 1 1 7 TRP CD2 C 18.634 -1.487 7.047 1.00 . A A . 7 TRP CD2 1 1 15 3014 1 1 7 TRP CE2 C 18.380 -2.663 6.316 1.00 . A A . 7 TRP CE2 1 1 15 3015 1 1 7 TRP CE3 C 19.373 -1.575 8.230 1.00 . A A . 7 TRP CE3 1 1 15 3016 1 1 7 TRP CG C 18.022 -0.405 6.336 1.00 . A A . 7 TRP CG 1 1 15 3017 1 1 7 TRP CH2 C 19.560 -3.968 7.892 1.00 . A A . 7 TRP CH2 1 1 15 3018 1 1 7 TRP CZ2 C 18.839 -3.911 6.731 1.00 . A A . 7 TRP CZ2 1 1 15 3019 1 1 7 TRP CZ3 C 19.827 -2.814 8.640 1.00 . A A . 7 TRP CZ3 1 1 15 3020 1 1 7 TRP H H 17.915 2.991 4.885 1.00 . A A . 7 TRP H 1 1 15 3021 1 1 7 TRP HA H 15.992 1.102 6.056 1.00 . A A . 7 TRP HA 1 1 15 3022 1 1 7 TRP HB2 H 18.911 1.497 6.317 1.00 . A A . 7 TRP HB2 1 1 15 3023 1 1 7 TRP HB3 H 18.060 1.095 7.806 1.00 . A A . 7 TRP HB3 1 1 15 3024 1 1 7 TRP HD1 H 16.889 -0.393 4.490 1.00 . A A . 7 TRP HD1 1 1 15 3025 1 1 7 TRP HE1 H 17.326 -2.929 4.521 1.00 . A A . 7 TRP HE1 1 1 15 3026 1 1 7 TRP HE3 H 19.589 -0.697 8.820 1.00 . A A . 7 TRP HE3 1 1 15 3027 1 1 7 TRP HH2 H 19.934 -4.914 8.251 1.00 . A A . 7 TRP HH2 1 1 15 3028 1 1 7 TRP HZ2 H 18.641 -4.810 6.165 1.00 . A A . 7 TRP HZ2 1 1 15 3029 1 1 7 TRP HZ3 H 20.400 -2.902 9.552 1.00 . A A . 7 TRP HZ3 1 1 15 3030 1 1 7 TRP N N 17.087 2.472 4.970 1.00 . A A . 7 TRP N 1 1 15 3031 1 1 7 TRP NE1 N 17.647 -2.312 5.213 1.00 . A A . 7 TRP NE1 1 1 15 3032 1 1 7 TRP O O 16.578 4.012 7.174 1.00 . A A . 7 TRP O 1 1 15 3033 1 1 8 PRO C C 14.364 0.384 7.480 1.00 . A A . 8 PRO C 1 1 15 3034 1 1 8 PRO CA C 15.397 0.875 8.488 1.00 . A A . 8 PRO CA 1 1 15 3035 1 1 8 PRO CB C 14.849 0.767 9.913 1.00 . A A . 8 PRO CB 1 1 15 3036 1 1 8 PRO CD C 15.162 3.095 9.470 1.00 . A A . 8 PRO CD 1 1 15 3037 1 1 8 PRO CG C 14.290 2.116 10.207 1.00 . A A . 8 PRO CG 1 1 15 3038 1 1 8 PRO HA H 16.295 0.281 8.400 1.00 . A A . 8 PRO HA 1 1 15 3039 1 1 8 PRO HB2 H 14.083 0.005 9.949 1.00 . A A . 8 PRO HB2 1 1 15 3040 1 1 8 PRO HB3 H 15.649 0.515 10.592 1.00 . A A . 8 PRO HB3 1 1 15 3041 1 1 8 PRO HD2 H 14.576 3.932 9.118 1.00 . A A . 8 PRO HD2 1 1 15 3042 1 1 8 PRO HD3 H 15.966 3.436 10.105 1.00 . A A . 8 PRO HD3 1 1 15 3043 1 1 8 PRO HG2 H 13.273 2.178 9.851 1.00 . A A . 8 PRO HG2 1 1 15 3044 1 1 8 PRO HG3 H 14.330 2.306 11.270 1.00 . A A . 8 PRO HG3 1 1 15 3045 1 1 8 PRO N N 15.682 2.306 8.341 1.00 . A A . 8 PRO N 1 1 15 3046 1 1 8 PRO O O 13.666 1.169 6.838 1.00 . A A . 8 PRO O 1 1 15 3047 1 1 9 PRO C C 11.867 -1.410 6.862 1.00 . A A . 9 PRO C 1 1 15 3048 1 1 9 PRO CA C 13.314 -1.571 6.410 1.00 . A A . 9 PRO CA 1 1 15 3049 1 1 9 PRO CB C 13.719 -3.047 6.431 1.00 . A A . 9 PRO CB 1 1 15 3050 1 1 9 PRO CD C 15.061 -1.941 8.070 1.00 . A A . 9 PRO CD 1 1 15 3051 1 1 9 PRO CG C 14.375 -3.241 7.754 1.00 . A A . 9 PRO CG 1 1 15 3052 1 1 9 PRO HA H 13.422 -1.181 5.408 1.00 . A A . 9 PRO HA 1 1 15 3053 1 1 9 PRO HB2 H 12.839 -3.666 6.331 1.00 . A A . 9 PRO HB2 1 1 15 3054 1 1 9 PRO HB3 H 14.402 -3.248 5.619 1.00 . A A . 9 PRO HB3 1 1 15 3055 1 1 9 PRO HD2 H 15.035 -1.749 9.133 1.00 . A A . 9 PRO HD2 1 1 15 3056 1 1 9 PRO HD3 H 16.080 -1.955 7.712 1.00 . A A . 9 PRO HD3 1 1 15 3057 1 1 9 PRO HG2 H 13.632 -3.465 8.503 1.00 . A A . 9 PRO HG2 1 1 15 3058 1 1 9 PRO HG3 H 15.099 -4.040 7.691 1.00 . A A . 9 PRO HG3 1 1 15 3059 1 1 9 PRO N N 14.261 -0.946 7.337 1.00 . A A . 9 PRO N 1 1 15 3060 1 1 9 PRO O O 11.297 -2.307 7.483 1.00 . A A . 9 PRO O 1 1 15 3061 1 1 10 ILE C C 9.021 0.209 5.686 1.00 . A A . 10 ILE C 1 1 15 3062 1 1 10 ILE CA C 9.896 0.016 6.920 1.00 . A A . 10 ILE CA 1 1 15 3063 1 1 10 ILE CB C 9.794 1.270 7.809 1.00 . A A . 10 ILE CB 1 1 15 3064 1 1 10 ILE CD1 C 7.799 0.420 9.141 1.00 . A A . 10 ILE CD1 1 1 15 3065 1 1 10 ILE CG1 C 8.343 1.503 8.235 1.00 . A A . 10 ILE CG1 1 1 15 3066 1 1 10 ILE CG2 C 10.337 2.486 7.073 1.00 . A A . 10 ILE CG2 1 1 15 3067 1 1 10 ILE H H 11.784 0.415 6.051 1.00 . A A . 10 ILE H 1 1 15 3068 1 1 10 ILE HA H 9.527 -0.830 7.482 1.00 . A A . 10 ILE HA 1 1 15 3069 1 1 10 ILE HB H 10.399 1.111 8.688 1.00 . A A . 10 ILE HB 1 1 15 3070 1 1 10 ILE HD11 H 7.692 0.809 10.143 1.00 . A A . 10 ILE HD11 1 1 15 3071 1 1 10 ILE HD12 H 6.836 0.095 8.776 1.00 . A A . 10 ILE HD12 1 1 15 3072 1 1 10 ILE HD13 H 8.482 -0.417 9.152 1.00 . A A . 10 ILE HD13 1 1 15 3073 1 1 10 ILE HG12 H 8.276 2.441 8.763 1.00 . A A . 10 ILE HG12 1 1 15 3074 1 1 10 ILE HG13 H 7.719 1.544 7.354 1.00 . A A . 10 ILE HG13 1 1 15 3075 1 1 10 ILE HG21 H 9.602 2.835 6.363 1.00 . A A . 10 ILE HG21 1 1 15 3076 1 1 10 ILE HG22 H 10.550 3.270 7.784 1.00 . A A . 10 ILE HG22 1 1 15 3077 1 1 10 ILE HG23 H 11.243 2.217 6.551 1.00 . A A . 10 ILE HG23 1 1 15 3078 1 1 10 ILE N N 11.278 -0.261 6.547 1.00 . A A . 10 ILE N 1 1 15 3079 1 1 10 ILE O O 9.346 0.998 4.799 1.00 . A A . 10 ILE O 1 1 15 3080 1 1 11 CYS C C 5.580 -0.075 4.992 1.00 . A A . 11 CYS C 1 1 15 3081 1 1 11 CYS CA C 6.985 -0.427 4.513 1.00 . A A . 11 CYS CA 1 1 15 3082 1 1 11 CYS CB C 6.958 -1.747 3.740 1.00 . A A . 11 CYS CB 1 1 15 3083 1 1 11 CYS H H 7.705 -1.130 6.375 1.00 . A A . 11 CYS H 1 1 15 3084 1 1 11 CYS HA H 7.335 0.357 3.858 1.00 . A A . 11 CYS HA 1 1 15 3085 1 1 11 CYS HB2 H 6.952 -2.567 4.444 1.00 . A A . 11 CYS HB2 1 1 15 3086 1 1 11 CYS HB3 H 6.060 -1.786 3.142 1.00 . A A . 11 CYS HB3 1 1 15 3087 1 1 11 CYS N N 7.909 -0.517 5.637 1.00 . A A . 11 CYS N 1 1 15 3088 1 1 11 CYS O O 5.056 -0.692 5.919 1.00 . A A . 11 CYS O 1 1 15 3089 1 1 11 CYS SG S 8.379 -1.986 2.626 1.00 . A A . 11 CYS SG 1 1 15 3090 1 1 12 PHE C C 2.599 0.285 4.357 1.00 . A A . 12 PHE C 1 1 15 3091 1 1 12 PHE CA C 3.629 1.354 4.712 1.00 . A A . 12 PHE CA 1 1 15 3092 1 1 12 PHE CB C 3.287 2.665 4.001 1.00 . A A . 12 PHE CB 1 1 15 3093 1 1 12 PHE CD1 C 5.073 4.217 4.836 1.00 . A A . 12 PHE CD1 1 1 15 3094 1 1 12 PHE CD2 C 2.802 4.708 5.375 1.00 . A A . 12 PHE CD2 1 1 15 3095 1 1 12 PHE CE1 C 5.484 5.342 5.526 1.00 . A A . 12 PHE CE1 1 1 15 3096 1 1 12 PHE CE2 C 3.207 5.834 6.066 1.00 . A A . 12 PHE CE2 1 1 15 3097 1 1 12 PHE CG C 3.729 3.888 4.752 1.00 . A A . 12 PHE CG 1 1 15 3098 1 1 12 PHE CZ C 4.550 6.151 6.143 1.00 . A A . 12 PHE CZ 1 1 15 3099 1 1 12 PHE H H 5.443 1.373 3.620 1.00 . A A . 12 PHE H 1 1 15 3100 1 1 12 PHE HA H 3.609 1.517 5.778 1.00 . A A . 12 PHE HA 1 1 15 3101 1 1 12 PHE HB2 H 3.767 2.678 3.034 1.00 . A A . 12 PHE HB2 1 1 15 3102 1 1 12 PHE HB3 H 2.217 2.725 3.868 1.00 . A A . 12 PHE HB3 1 1 15 3103 1 1 12 PHE HD1 H 5.805 3.584 4.354 1.00 . A A . 12 PHE HD1 1 1 15 3104 1 1 12 PHE HD2 H 1.752 4.461 5.316 1.00 . A A . 12 PHE HD2 1 1 15 3105 1 1 12 PHE HE1 H 6.534 5.586 5.584 1.00 . A A . 12 PHE HE1 1 1 15 3106 1 1 12 PHE HE2 H 2.475 6.465 6.547 1.00 . A A . 12 PHE HE2 1 1 15 3107 1 1 12 PHE HZ H 4.868 7.030 6.682 1.00 . A A . 12 PHE HZ 1 1 15 3108 1 1 12 PHE N N 4.974 0.920 4.352 1.00 . A A . 12 PHE N 1 1 15 3109 1 1 12 PHE O O 2.846 -0.604 3.542 1.00 . A A . 12 PHE O 1 1 15 3110 1 1 13 PRO C C -0.289 -0.427 3.364 1.00 . A A . 13 PRO C 1 1 15 3111 1 1 13 PRO CA C 0.325 -0.577 4.751 1.00 . A A . 13 PRO CA 1 1 15 3112 1 1 13 PRO CB C -0.697 -0.214 5.831 1.00 . A A . 13 PRO CB 1 1 15 3113 1 1 13 PRO CD C 1.054 1.407 5.968 1.00 . A A . 13 PRO CD 1 1 15 3114 1 1 13 PRO CG C -0.427 1.217 6.142 1.00 . A A . 13 PRO CG 1 1 15 3115 1 1 13 PRO HA H 0.651 -1.598 4.891 1.00 . A A . 13 PRO HA 1 1 15 3116 1 1 13 PRO HB2 H -1.697 -0.354 5.445 1.00 . A A . 13 PRO HB2 1 1 15 3117 1 1 13 PRO HB3 H -0.549 -0.841 6.697 1.00 . A A . 13 PRO HB3 1 1 15 3118 1 1 13 PRO HD2 H 1.266 2.394 5.586 1.00 . A A . 13 PRO HD2 1 1 15 3119 1 1 13 PRO HD3 H 1.568 1.244 6.904 1.00 . A A . 13 PRO HD3 1 1 15 3120 1 1 13 PRO HG2 H -0.969 1.851 5.457 1.00 . A A . 13 PRO HG2 1 1 15 3121 1 1 13 PRO HG3 H -0.715 1.432 7.161 1.00 . A A . 13 PRO HG3 1 1 15 3122 1 1 13 PRO N N 1.417 0.373 4.984 1.00 . A A . 13 PRO N 1 1 15 3123 1 1 13 PRO O O -0.737 -1.404 2.764 1.00 . A A . 13 PRO O 1 1 15 3124 1 1 14 ASP C C -0.141 0.276 0.465 1.00 . A A . 14 ASP C 1 1 15 3125 1 1 14 ASP CA C -0.863 1.080 1.541 1.00 . A A . 14 ASP CA 1 1 15 3126 1 1 14 ASP CB C -0.768 2.574 1.228 1.00 . A A . 14 ASP CB 1 1 15 3127 1 1 14 ASP CG C 0.649 3.010 0.908 1.00 . A A . 14 ASP CG 1 1 15 3128 1 1 14 ASP H H 0.068 1.540 3.386 1.00 . A A . 14 ASP H 1 1 15 3129 1 1 14 ASP HA H -1.902 0.790 1.553 1.00 . A A . 14 ASP HA 1 1 15 3130 1 1 14 ASP HB2 H -1.394 2.798 0.377 1.00 . A A . 14 ASP HB2 1 1 15 3131 1 1 14 ASP HB3 H -1.114 3.137 2.083 1.00 . A A . 14 ASP HB3 1 1 15 3132 1 1 14 ASP N N -0.305 0.802 2.860 1.00 . A A . 14 ASP N 1 1 15 3133 1 1 14 ASP O O -0.775 -0.357 -0.381 1.00 . A A . 14 ASP O 1 1 15 3134 1 1 14 ASP OD1 O 1.568 2.648 1.672 1.00 . A A . 14 ASP OD1 1 1 15 3135 1 1 14 ASP OD2 O 0.838 3.712 -0.107 1.00 . A A . 14 ASP OD2 1 1 16 3136 1 1 1 GLY C C 3.284 1.015 -1.115 1.00 . A A . 1 GLY C 1 1 16 3137 1 1 1 GLY CA C 1.815 0.664 -1.237 1.00 . A A . 1 GLY CA 1 1 16 3138 1 1 1 GLY H1 H 1.718 0.371 0.858 1.00 . A A . 1 GLY H1 1 1 16 3139 1 1 1 GLY HA2 H 1.720 -0.260 -1.787 1.00 . A A . 1 GLY HA2 1 1 16 3140 1 1 1 GLY HA3 H 1.313 1.450 -1.783 1.00 . A A . 1 GLY HA3 1 1 16 3141 1 1 1 GLY N N 1.172 0.509 0.055 1.00 . A A . 1 GLY N 1 1 16 3142 1 1 1 GLY O O 4.143 0.133 -1.132 1.00 . A A . 1 GLY O 1 1 16 3143 1 1 2 ARG C C 5.683 2.020 0.237 1.00 . A A . 2 ARG C 1 1 16 3144 1 1 2 ARG CA C 4.951 2.772 -0.871 1.00 . A A . 2 ARG CA 1 1 16 3145 1 1 2 ARG CB C 4.980 4.275 -0.589 1.00 . A A . 2 ARG CB 1 1 16 3146 1 1 2 ARG CD C 6.154 6.460 -0.993 1.00 . A A . 2 ARG CD 1 1 16 3147 1 1 2 ARG CG C 6.284 4.945 -0.992 1.00 . A A . 2 ARG CG 1 1 16 3148 1 1 2 ARG CZ C 5.518 8.224 0.597 1.00 . A A . 2 ARG CZ 1 1 16 3149 1 1 2 ARG H H 2.846 2.962 -0.986 1.00 . A A . 2 ARG H 1 1 16 3150 1 1 2 ARG HA H 5.450 2.581 -1.809 1.00 . A A . 2 ARG HA 1 1 16 3151 1 1 2 ARG HB2 H 4.175 4.747 -1.132 1.00 . A A . 2 ARG HB2 1 1 16 3152 1 1 2 ARG HB3 H 4.832 4.433 0.469 1.00 . A A . 2 ARG HB3 1 1 16 3153 1 1 2 ARG HD2 H 7.056 6.885 -1.408 1.00 . A A . 2 ARG HD2 1 1 16 3154 1 1 2 ARG HD3 H 5.311 6.735 -1.609 1.00 . A A . 2 ARG HD3 1 1 16 3155 1 1 2 ARG HE H 6.153 6.404 1.108 1.00 . A A . 2 ARG HE 1 1 16 3156 1 1 2 ARG HG2 H 7.055 4.661 -0.292 1.00 . A A . 2 ARG HG2 1 1 16 3157 1 1 2 ARG HG3 H 6.555 4.615 -1.984 1.00 . A A . 2 ARG HG3 1 1 16 3158 1 1 2 ARG HH11 H 5.356 8.736 -1.350 1.00 . A A . 2 ARG HH11 1 1 16 3159 1 1 2 ARG HH12 H 4.911 9.970 -0.219 1.00 . A A . 2 ARG HH12 1 1 16 3160 1 1 2 ARG HH21 H 5.570 8.020 2.608 1.00 . A A . 2 ARG HH21 1 1 16 3161 1 1 2 ARG HH22 H 5.034 9.563 2.032 1.00 . A A . 2 ARG HH22 1 1 16 3162 1 1 2 ARG N N 3.575 2.306 -0.993 1.00 . A A . 2 ARG N 1 1 16 3163 1 1 2 ARG NE N 5.953 6.993 0.352 1.00 . A A . 2 ARG NE 1 1 16 3164 1 1 2 ARG NH1 N 5.239 9.044 -0.406 1.00 . A A . 2 ARG NH1 1 1 16 3165 1 1 2 ARG NH2 N 5.361 8.636 1.849 1.00 . A A . 2 ARG NH2 1 1 16 3166 1 1 2 ARG O O 5.059 1.456 1.136 1.00 . A A . 2 ARG O 1 1 16 3167 1 1 3 CYS C C 9.214 1.966 1.252 1.00 . A A . 3 CYS C 1 1 16 3168 1 1 3 CYS CA C 7.827 1.335 1.162 1.00 . A A . 3 CYS CA 1 1 16 3169 1 1 3 CYS CB C 7.952 -0.151 0.820 1.00 . A A . 3 CYS CB 1 1 16 3170 1 1 3 CYS H H 7.450 2.485 -0.574 1.00 . A A . 3 CYS H 1 1 16 3171 1 1 3 CYS HA H 7.338 1.435 2.119 1.00 . A A . 3 CYS HA 1 1 16 3172 1 1 3 CYS HB2 H 6.984 -0.619 0.927 1.00 . A A . 3 CYS HB2 1 1 16 3173 1 1 3 CYS HB3 H 8.283 -0.250 -0.204 1.00 . A A . 3 CYS HB3 1 1 16 3174 1 1 3 CYS N N 7.010 2.017 0.167 1.00 . A A . 3 CYS N 1 1 16 3175 1 1 3 CYS O O 9.802 2.348 0.239 1.00 . A A . 3 CYS O 1 1 16 3176 1 1 3 CYS SG S 9.126 -1.061 1.874 1.00 . A A . 3 CYS SG 1 1 16 3177 1 1 4 THR C C 12.132 1.865 1.970 1.00 . A A . 4 THR C 1 1 16 3178 1 1 4 THR CA C 11.049 2.656 2.695 1.00 . A A . 4 THR CA 1 1 16 3179 1 1 4 THR CB C 11.390 2.716 4.196 1.00 . A A . 4 THR CB 1 1 16 3180 1 1 4 THR CG2 C 10.228 3.291 4.992 1.00 . A A . 4 THR CG2 1 1 16 3181 1 1 4 THR H H 9.215 1.749 3.239 1.00 . A A . 4 THR H 1 1 16 3182 1 1 4 THR HA H 11.035 3.665 2.309 1.00 . A A . 4 THR HA 1 1 16 3183 1 1 4 THR HB H 12.250 3.357 4.328 1.00 . A A . 4 THR HB 1 1 16 3184 1 1 4 THR HG1 H 11.260 0.749 4.138 1.00 . A A . 4 THR HG1 1 1 16 3185 1 1 4 THR HG21 H 9.908 4.220 4.543 1.00 . A A . 4 THR HG21 1 1 16 3186 1 1 4 THR HG22 H 10.543 3.471 6.009 1.00 . A A . 4 THR HG22 1 1 16 3187 1 1 4 THR HG23 H 9.408 2.589 4.988 1.00 . A A . 4 THR HG23 1 1 16 3188 1 1 4 THR N N 9.732 2.072 2.472 1.00 . A A . 4 THR N 1 1 16 3189 1 1 4 THR O O 12.358 0.692 2.267 1.00 . A A . 4 THR O 1 1 16 3190 1 1 4 THR OG1 O 11.705 1.406 4.679 1.00 . A A . 4 THR OG1 1 1 16 3191 1 1 5 GLN C C 15.070 1.585 1.135 1.00 . A A . 5 GLN C 1 1 16 3192 1 1 5 GLN CA C 13.857 1.869 0.254 1.00 . A A . 5 GLN CA 1 1 16 3193 1 1 5 GLN CB C 14.266 2.747 -0.930 1.00 . A A . 5 GLN CB 1 1 16 3194 1 1 5 GLN CD C 13.640 1.371 -2.954 1.00 . A A . 5 GLN CD 1 1 16 3195 1 1 5 GLN CG C 13.347 2.611 -2.133 1.00 . A A . 5 GLN CG 1 1 16 3196 1 1 5 GLN H H 12.570 3.447 0.830 1.00 . A A . 5 GLN H 1 1 16 3197 1 1 5 GLN HA H 13.472 0.932 -0.120 1.00 . A A . 5 GLN HA 1 1 16 3198 1 1 5 GLN HB2 H 14.262 3.779 -0.615 1.00 . A A . 5 GLN HB2 1 1 16 3199 1 1 5 GLN HB3 H 15.266 2.475 -1.235 1.00 . A A . 5 GLN HB3 1 1 16 3200 1 1 5 GLN HE21 H 14.578 2.467 -4.322 1.00 . A A . 5 GLN HE21 1 1 16 3201 1 1 5 GLN HE22 H 14.515 0.770 -4.635 1.00 . A A . 5 GLN HE22 1 1 16 3202 1 1 5 GLN HG2 H 12.326 2.562 -1.787 1.00 . A A . 5 GLN HG2 1 1 16 3203 1 1 5 GLN HG3 H 13.471 3.480 -2.763 1.00 . A A . 5 GLN HG3 1 1 16 3204 1 1 5 GLN N N 12.797 2.514 1.021 1.00 . A A . 5 GLN N 1 1 16 3205 1 1 5 GLN NE2 N 14.311 1.554 -4.085 1.00 . A A . 5 GLN NE2 1 1 16 3206 1 1 5 GLN O O 15.719 0.548 0.998 1.00 . A A . 5 GLN O 1 1 16 3207 1 1 5 GLN OE1 O 13.266 0.260 -2.576 1.00 . A A . 5 GLN OE1 1 1 16 3208 1 1 6 ALA C C 16.042 1.951 4.337 1.00 . A A . 6 ALA C 1 1 16 3209 1 1 6 ALA CA C 16.503 2.360 2.942 1.00 . A A . 6 ALA CA 1 1 16 3210 1 1 6 ALA CB C 17.303 3.653 3.006 1.00 . A A . 6 ALA CB 1 1 16 3211 1 1 6 ALA H H 14.813 3.317 2.099 1.00 . A A . 6 ALA H 1 1 16 3212 1 1 6 ALA HA H 17.145 1.588 2.545 1.00 . A A . 6 ALA HA 1 1 16 3213 1 1 6 ALA HB1 H 16.660 4.457 3.334 1.00 . A A . 6 ALA HB1 1 1 16 3214 1 1 6 ALA HB2 H 18.118 3.537 3.704 1.00 . A A . 6 ALA HB2 1 1 16 3215 1 1 6 ALA HB3 H 17.696 3.882 2.027 1.00 . A A . 6 ALA HB3 1 1 16 3216 1 1 6 ALA N N 15.369 2.512 2.038 1.00 . A A . 6 ALA N 1 1 16 3217 1 1 6 ALA O O 14.954 2.324 4.775 1.00 . A A . 6 ALA O 1 1 16 3218 1 1 7 TRP C C 16.131 1.888 7.262 1.00 . A A . 7 TRP C 1 1 16 3219 1 1 7 TRP CA C 16.552 0.722 6.374 1.00 . A A . 7 TRP CA 1 1 16 3220 1 1 7 TRP CB C 17.752 0.002 6.990 1.00 . A A . 7 TRP CB 1 1 16 3221 1 1 7 TRP CD1 C 19.433 1.918 7.261 1.00 . A A . 7 TRP CD1 1 1 16 3222 1 1 7 TRP CD2 C 20.145 0.246 5.952 1.00 . A A . 7 TRP CD2 1 1 16 3223 1 1 7 TRP CE2 C 21.154 1.227 6.017 1.00 . A A . 7 TRP CE2 1 1 16 3224 1 1 7 TRP CE3 C 20.370 -0.901 5.186 1.00 . A A . 7 TRP CE3 1 1 16 3225 1 1 7 TRP CG C 19.053 0.707 6.755 1.00 . A A . 7 TRP CG 1 1 16 3226 1 1 7 TRP CH2 C 22.559 -0.039 4.602 1.00 . A A . 7 TRP CH2 1 1 16 3227 1 1 7 TRP CZ2 C 22.366 1.094 5.345 1.00 . A A . 7 TRP CZ2 1 1 16 3228 1 1 7 TRP CZ3 C 21.573 -1.031 4.519 1.00 . A A . 7 TRP CZ3 1 1 16 3229 1 1 7 TRP H H 17.729 0.918 4.624 1.00 . A A . 7 TRP H 1 1 16 3230 1 1 7 TRP HA H 15.728 0.028 6.296 1.00 . A A . 7 TRP HA 1 1 16 3231 1 1 7 TRP HB2 H 17.606 -0.080 8.057 1.00 . A A . 7 TRP HB2 1 1 16 3232 1 1 7 TRP HB3 H 17.827 -0.988 6.564 1.00 . A A . 7 TRP HB3 1 1 16 3233 1 1 7 TRP HD1 H 18.820 2.525 7.909 1.00 . A A . 7 TRP HD1 1 1 16 3234 1 1 7 TRP HE1 H 21.187 3.054 7.048 1.00 . A A . 7 TRP HE1 1 1 16 3235 1 1 7 TRP HE3 H 19.622 -1.677 5.110 1.00 . A A . 7 TRP HE3 1 1 16 3236 1 1 7 TRP HH2 H 23.483 -0.183 4.064 1.00 . A A . 7 TRP HH2 1 1 16 3237 1 1 7 TRP HZ2 H 23.136 1.850 5.399 1.00 . A A . 7 TRP HZ2 1 1 16 3238 1 1 7 TRP HZ3 H 21.764 -1.911 3.921 1.00 . A A . 7 TRP HZ3 1 1 16 3239 1 1 7 TRP N N 16.875 1.182 5.028 1.00 . A A . 7 TRP N 1 1 16 3240 1 1 7 TRP NE1 N 20.695 2.237 6.821 1.00 . A A . 7 TRP NE1 1 1 16 3241 1 1 7 TRP O O 16.467 3.045 7.008 1.00 . A A . 7 TRP O 1 1 16 3242 1 1 8 PRO C C 13.955 -0.338 7.642 1.00 . A A . 8 PRO C 1 1 16 3243 1 1 8 PRO CA C 14.972 0.206 8.640 1.00 . A A . 8 PRO CA 1 1 16 3244 1 1 8 PRO CB C 14.344 0.328 10.030 1.00 . A A . 8 PRO CB 1 1 16 3245 1 1 8 PRO CD C 14.866 2.548 9.312 1.00 . A A . 8 PRO CD 1 1 16 3246 1 1 8 PRO CG C 13.882 1.742 10.114 1.00 . A A . 8 PRO CG 1 1 16 3247 1 1 8 PRO HA H 15.822 -0.459 8.684 1.00 . A A . 8 PRO HA 1 1 16 3248 1 1 8 PRO HB2 H 13.519 -0.364 10.117 1.00 . A A . 8 PRO HB2 1 1 16 3249 1 1 8 PRO HB3 H 15.086 0.110 10.784 1.00 . A A . 8 PRO HB3 1 1 16 3250 1 1 8 PRO HD2 H 14.369 3.370 8.820 1.00 . A A . 8 PRO HD2 1 1 16 3251 1 1 8 PRO HD3 H 15.662 2.910 9.946 1.00 . A A . 8 PRO HD3 1 1 16 3252 1 1 8 PRO HG2 H 12.893 1.830 9.691 1.00 . A A . 8 PRO HG2 1 1 16 3253 1 1 8 PRO HG3 H 13.882 2.068 11.143 1.00 . A A . 8 PRO HG3 1 1 16 3254 1 1 8 PRO N N 15.379 1.579 8.328 1.00 . A A . 8 PRO N 1 1 16 3255 1 1 8 PRO O O 13.371 0.401 6.849 1.00 . A A . 8 PRO O 1 1 16 3256 1 1 9 PRO C C 11.340 -1.985 7.111 1.00 . A A . 9 PRO C 1 1 16 3257 1 1 9 PRO CA C 12.788 -2.333 6.787 1.00 . A A . 9 PRO CA 1 1 16 3258 1 1 9 PRO CB C 13.051 -3.819 7.043 1.00 . A A . 9 PRO CB 1 1 16 3259 1 1 9 PRO CD C 14.397 -2.603 8.600 1.00 . A A . 9 PRO CD 1 1 16 3260 1 1 9 PRO CG C 13.611 -3.872 8.423 1.00 . A A . 9 PRO CG 1 1 16 3261 1 1 9 PRO HA H 12.989 -2.103 5.750 1.00 . A A . 9 PRO HA 1 1 16 3262 1 1 9 PRO HB2 H 12.124 -4.369 6.971 1.00 . A A . 9 PRO HB2 1 1 16 3263 1 1 9 PRO HB3 H 13.756 -4.194 6.317 1.00 . A A . 9 PRO HB3 1 1 16 3264 1 1 9 PRO HD2 H 14.329 -2.256 9.621 1.00 . A A . 9 PRO HD2 1 1 16 3265 1 1 9 PRO HD3 H 15.429 -2.755 8.319 1.00 . A A . 9 PRO HD3 1 1 16 3266 1 1 9 PRO HG2 H 12.808 -3.920 9.143 1.00 . A A . 9 PRO HG2 1 1 16 3267 1 1 9 PRO HG3 H 14.259 -4.730 8.523 1.00 . A A . 9 PRO HG3 1 1 16 3268 1 1 9 PRO N N 13.736 -1.661 7.681 1.00 . A A . 9 PRO N 1 1 16 3269 1 1 9 PRO O O 10.627 -2.772 7.735 1.00 . A A . 9 PRO O 1 1 16 3270 1 1 10 ILE C C 8.792 -0.147 5.617 1.00 . A A . 10 ILE C 1 1 16 3271 1 1 10 ILE CA C 9.546 -0.351 6.927 1.00 . A A . 10 ILE CA 1 1 16 3272 1 1 10 ILE CB C 9.522 0.962 7.731 1.00 . A A . 10 ILE CB 1 1 16 3273 1 1 10 ILE CD1 C 10.231 2.021 9.934 1.00 . A A . 10 ILE CD1 1 1 16 3274 1 1 10 ILE CG1 C 10.226 0.775 9.076 1.00 . A A . 10 ILE CG1 1 1 16 3275 1 1 10 ILE CG2 C 8.089 1.431 7.937 1.00 . A A . 10 ILE CG2 1 1 16 3276 1 1 10 ILE H H 11.525 -0.219 6.192 1.00 . A A . 10 ILE H 1 1 16 3277 1 1 10 ILE HA H 9.042 -1.113 7.505 1.00 . A A . 10 ILE HA 1 1 16 3278 1 1 10 ILE HB H 10.043 1.716 7.161 1.00 . A A . 10 ILE HB 1 1 16 3279 1 1 10 ILE HD11 H 9.214 2.314 10.150 1.00 . A A . 10 ILE HD11 1 1 16 3280 1 1 10 ILE HD12 H 10.753 1.821 10.857 1.00 . A A . 10 ILE HD12 1 1 16 3281 1 1 10 ILE HD13 H 10.730 2.820 9.404 1.00 . A A . 10 ILE HD13 1 1 16 3282 1 1 10 ILE HG12 H 9.730 -0.006 9.630 1.00 . A A . 10 ILE HG12 1 1 16 3283 1 1 10 ILE HG13 H 11.253 0.489 8.900 1.00 . A A . 10 ILE HG13 1 1 16 3284 1 1 10 ILE HG21 H 7.540 0.679 8.485 1.00 . A A . 10 ILE HG21 1 1 16 3285 1 1 10 ILE HG22 H 8.090 2.354 8.497 1.00 . A A . 10 ILE HG22 1 1 16 3286 1 1 10 ILE HG23 H 7.621 1.591 6.978 1.00 . A A . 10 ILE HG23 1 1 16 3287 1 1 10 ILE N N 10.910 -0.802 6.683 1.00 . A A . 10 ILE N 1 1 16 3288 1 1 10 ILE O O 9.359 0.318 4.628 1.00 . A A . 10 ILE O 1 1 16 3289 1 1 11 CYS C C 5.267 0.100 4.808 1.00 . A A . 11 CYS C 1 1 16 3290 1 1 11 CYS CA C 6.676 -0.349 4.431 1.00 . A A . 11 CYS CA 1 1 16 3291 1 1 11 CYS CB C 6.613 -1.670 3.661 1.00 . A A . 11 CYS CB 1 1 16 3292 1 1 11 CYS H H 7.114 -0.861 6.438 1.00 . A A . 11 CYS H 1 1 16 3293 1 1 11 CYS HA H 7.125 0.404 3.801 1.00 . A A . 11 CYS HA 1 1 16 3294 1 1 11 CYS HB2 H 6.175 -2.427 4.295 1.00 . A A . 11 CYS HB2 1 1 16 3295 1 1 11 CYS HB3 H 5.994 -1.538 2.786 1.00 . A A . 11 CYS HB3 1 1 16 3296 1 1 11 CYS N N 7.510 -0.495 5.618 1.00 . A A . 11 CYS N 1 1 16 3297 1 1 11 CYS O O 4.669 -0.419 5.751 1.00 . A A . 11 CYS O 1 1 16 3298 1 1 11 CYS SG S 8.235 -2.285 3.106 1.00 . A A . 11 CYS SG 1 1 16 3299 1 1 12 PHE C C 2.349 0.513 4.089 1.00 . A A . 12 PHE C 1 1 16 3300 1 1 12 PHE CA C 3.405 1.590 4.320 1.00 . A A . 12 PHE CA 1 1 16 3301 1 1 12 PHE CB C 3.124 2.796 3.422 1.00 . A A . 12 PHE CB 1 1 16 3302 1 1 12 PHE CD1 C 2.624 5.074 4.349 1.00 . A A . 12 PHE CD1 1 1 16 3303 1 1 12 PHE CD2 C 4.898 4.362 4.257 1.00 . A A . 12 PHE CD2 1 1 16 3304 1 1 12 PHE CE1 C 3.020 6.278 4.900 1.00 . A A . 12 PHE CE1 1 1 16 3305 1 1 12 PHE CE2 C 5.299 5.564 4.809 1.00 . A A . 12 PHE CE2 1 1 16 3306 1 1 12 PHE CG C 3.557 4.103 4.021 1.00 . A A . 12 PHE CG 1 1 16 3307 1 1 12 PHE CZ C 4.359 6.523 5.130 1.00 . A A . 12 PHE CZ 1 1 16 3308 1 1 12 PHE H H 5.269 1.443 3.327 1.00 . A A . 12 PHE H 1 1 16 3309 1 1 12 PHE HA H 3.364 1.902 5.352 1.00 . A A . 12 PHE HA 1 1 16 3310 1 1 12 PHE HB2 H 3.649 2.670 2.487 1.00 . A A . 12 PHE HB2 1 1 16 3311 1 1 12 PHE HB3 H 2.063 2.853 3.230 1.00 . A A . 12 PHE HB3 1 1 16 3312 1 1 12 PHE HD1 H 1.575 4.883 4.169 1.00 . A A . 12 PHE HD1 1 1 16 3313 1 1 12 PHE HD2 H 5.635 3.613 4.005 1.00 . A A . 12 PHE HD2 1 1 16 3314 1 1 12 PHE HE1 H 2.282 7.026 5.150 1.00 . A A . 12 PHE HE1 1 1 16 3315 1 1 12 PHE HE2 H 6.347 5.754 4.987 1.00 . A A . 12 PHE HE2 1 1 16 3316 1 1 12 PHE HZ H 4.670 7.463 5.562 1.00 . A A . 12 PHE HZ 1 1 16 3317 1 1 12 PHE N N 4.743 1.069 4.065 1.00 . A A . 12 PHE N 1 1 16 3318 1 1 12 PHE O O 2.587 -0.492 3.419 1.00 . A A . 12 PHE O 1 1 16 3319 1 1 13 PRO C C -0.533 -0.248 3.116 1.00 . A A . 13 PRO C 1 1 16 3320 1 1 13 PRO CA C 0.037 -0.215 4.530 1.00 . A A . 13 PRO CA 1 1 16 3321 1 1 13 PRO CB C -1.002 0.331 5.513 1.00 . A A . 13 PRO CB 1 1 16 3322 1 1 13 PRO CD C 0.800 1.901 5.472 1.00 . A A . 13 PRO CD 1 1 16 3323 1 1 13 PRO CG C -0.692 1.783 5.624 1.00 . A A . 13 PRO CG 1 1 16 3324 1 1 13 PRO HA H 0.323 -1.214 4.825 1.00 . A A . 13 PRO HA 1 1 16 3325 1 1 13 PRO HB2 H -1.995 0.167 5.119 1.00 . A A . 13 PRO HB2 1 1 16 3326 1 1 13 PRO HB3 H -0.900 -0.169 6.465 1.00 . A A . 13 PRO HB3 1 1 16 3327 1 1 13 PRO HD2 H 1.056 2.816 4.959 1.00 . A A . 13 PRO HD2 1 1 16 3328 1 1 13 PRO HD3 H 1.282 1.860 6.438 1.00 . A A . 13 PRO HD3 1 1 16 3329 1 1 13 PRO HG2 H -1.193 2.327 4.838 1.00 . A A . 13 PRO HG2 1 1 16 3330 1 1 13 PRO HG3 H -1.000 2.151 6.592 1.00 . A A . 13 PRO HG3 1 1 16 3331 1 1 13 PRO N N 1.153 0.725 4.659 1.00 . A A . 13 PRO N 1 1 16 3332 1 1 13 PRO O O -1.004 -1.286 2.650 1.00 . A A . 13 PRO O 1 1 16 3333 1 1 14 ASP C C -0.129 0.198 0.109 1.00 . A A . 14 ASP C 1 1 16 3334 1 1 14 ASP CA C -0.999 0.995 1.076 1.00 . A A . 14 ASP CA 1 1 16 3335 1 1 14 ASP CB C -1.059 2.459 0.639 1.00 . A A . 14 ASP CB 1 1 16 3336 1 1 14 ASP CG C 0.209 3.217 0.978 1.00 . A A . 14 ASP CG 1 1 16 3337 1 1 14 ASP H H -0.101 1.687 2.864 1.00 . A A . 14 ASP H 1 1 16 3338 1 1 14 ASP HA H -1.997 0.584 1.065 1.00 . A A . 14 ASP HA 1 1 16 3339 1 1 14 ASP HB2 H -1.208 2.503 -0.430 1.00 . A A . 14 ASP HB2 1 1 16 3340 1 1 14 ASP HB3 H -1.889 2.942 1.134 1.00 . A A . 14 ASP HB3 1 1 16 3341 1 1 14 ASP N N -0.488 0.893 2.438 1.00 . A A . 14 ASP N 1 1 16 3342 1 1 14 ASP O O -0.583 -0.778 -0.490 1.00 . A A . 14 ASP O 1 1 16 3343 1 1 14 ASP OD1 O 1.123 3.256 0.127 1.00 . A A . 14 ASP OD1 1 1 16 3344 1 1 14 ASP OD2 O 0.288 3.772 2.094 1.00 . A A . 14 ASP OD2 1 1 17 3345 1 1 1 GLY C C 2.974 0.760 -1.015 1.00 . A A . 1 GLY C 1 1 17 3346 1 1 1 GLY CA C 1.536 0.281 -1.032 1.00 . A A . 1 GLY CA 1 1 17 3347 1 1 1 GLY H1 H 1.427 0.524 1.069 1.00 . A A . 1 GLY H1 1 1 17 3348 1 1 1 GLY HA2 H 1.518 -0.761 -1.313 1.00 . A A . 1 GLY HA2 1 1 17 3349 1 1 1 GLY HA3 H 0.988 0.852 -1.767 1.00 . A A . 1 GLY HA3 1 1 17 3350 1 1 1 GLY N N 0.886 0.432 0.257 1.00 . A A . 1 GLY N 1 1 17 3351 1 1 1 GLY O O 3.901 -0.032 -1.184 1.00 . A A . 1 GLY O 1 1 17 3352 1 1 2 ARG C C 5.385 1.909 0.223 1.00 . A A . 2 ARG C 1 1 17 3353 1 1 2 ARG CA C 4.496 2.644 -0.777 1.00 . A A . 2 ARG CA 1 1 17 3354 1 1 2 ARG CB C 4.418 4.127 -0.412 1.00 . A A . 2 ARG CB 1 1 17 3355 1 1 2 ARG CD C 5.624 6.284 -0.873 1.00 . A A . 2 ARG CD 1 1 17 3356 1 1 2 ARG CG C 5.764 4.833 -0.439 1.00 . A A . 2 ARG CG 1 1 17 3357 1 1 2 ARG CZ C 4.484 8.325 -0.113 1.00 . A A . 2 ARG CZ 1 1 17 3358 1 1 2 ARG H H 2.382 2.641 -0.684 1.00 . A A . 2 ARG H 1 1 17 3359 1 1 2 ARG HA H 4.927 2.547 -1.762 1.00 . A A . 2 ARG HA 1 1 17 3360 1 1 2 ARG HB2 H 3.762 4.624 -1.111 1.00 . A A . 2 ARG HB2 1 1 17 3361 1 1 2 ARG HB3 H 4.008 4.220 0.583 1.00 . A A . 2 ARG HB3 1 1 17 3362 1 1 2 ARG HD2 H 6.587 6.765 -0.790 1.00 . A A . 2 ARG HD2 1 1 17 3363 1 1 2 ARG HD3 H 5.297 6.308 -1.901 1.00 . A A . 2 ARG HD3 1 1 17 3364 1 1 2 ARG HE H 4.117 6.490 0.578 1.00 . A A . 2 ARG HE 1 1 17 3365 1 1 2 ARG HG2 H 6.195 4.805 0.551 1.00 . A A . 2 ARG HG2 1 1 17 3366 1 1 2 ARG HG3 H 6.415 4.320 -1.132 1.00 . A A . 2 ARG HG3 1 1 17 3367 1 1 2 ARG HH11 H 5.880 8.614 -1.544 1.00 . A A . 2 ARG HH11 1 1 17 3368 1 1 2 ARG HH12 H 5.068 10.045 -1.000 1.00 . A A . 2 ARG HH12 1 1 17 3369 1 1 2 ARG HH21 H 3.042 8.367 1.303 1.00 . A A . 2 ARG HH21 1 1 17 3370 1 1 2 ARG HH22 H 3.455 9.903 0.621 1.00 . A A . 2 ARG HH22 1 1 17 3371 1 1 2 ARG N N 3.161 2.060 -0.812 1.00 . A A . 2 ARG N 1 1 17 3372 1 1 2 ARG NE N 4.659 7.010 -0.051 1.00 . A A . 2 ARG NE 1 1 17 3373 1 1 2 ARG NH1 N 5.203 9.054 -0.954 1.00 . A A . 2 ARG NH1 1 1 17 3374 1 1 2 ARG NH2 N 3.586 8.913 0.668 1.00 . A A . 2 ARG NH2 1 1 17 3375 1 1 2 ARG O O 4.895 1.309 1.180 1.00 . A A . 2 ARG O 1 1 17 3376 1 1 3 CYS C C 8.964 2.074 0.926 1.00 . A A . 3 CYS C 1 1 17 3377 1 1 3 CYS CA C 7.650 1.300 0.873 1.00 . A A . 3 CYS CA 1 1 17 3378 1 1 3 CYS CB C 7.907 -0.131 0.397 1.00 . A A . 3 CYS CB 1 1 17 3379 1 1 3 CYS H H 7.023 2.455 -0.786 1.00 . A A . 3 CYS H 1 1 17 3380 1 1 3 CYS HA H 7.224 1.269 1.864 1.00 . A A . 3 CYS HA 1 1 17 3381 1 1 3 CYS HB2 H 7.923 -0.146 -0.683 1.00 . A A . 3 CYS HB2 1 1 17 3382 1 1 3 CYS HB3 H 8.866 -0.460 0.770 1.00 . A A . 3 CYS HB3 1 1 17 3383 1 1 3 CYS N N 6.692 1.960 -0.006 1.00 . A A . 3 CYS N 1 1 17 3384 1 1 3 CYS O O 9.198 2.978 0.123 1.00 . A A . 3 CYS O 1 1 17 3385 1 1 3 CYS SG S 6.655 -1.335 0.947 1.00 . A A . 3 CYS SG 1 1 17 3386 1 1 4 THR C C 12.230 1.545 1.419 1.00 . A A . 4 THR C 1 1 17 3387 1 1 4 THR CA C 11.109 2.373 2.037 1.00 . A A . 4 THR CA 1 1 17 3388 1 1 4 THR CB C 11.431 2.625 3.522 1.00 . A A . 4 THR CB 1 1 17 3389 1 1 4 THR CG2 C 10.366 3.501 4.165 1.00 . A A . 4 THR CG2 1 1 17 3390 1 1 4 THR H H 9.575 0.985 2.487 1.00 . A A . 4 THR H 1 1 17 3391 1 1 4 THR HA H 11.059 3.327 1.533 1.00 . A A . 4 THR HA 1 1 17 3392 1 1 4 THR HB H 12.382 3.134 3.587 1.00 . A A . 4 THR HB 1 1 17 3393 1 1 4 THR HG1 H 12.283 0.890 3.911 1.00 . A A . 4 THR HG1 1 1 17 3394 1 1 4 THR HG21 H 9.387 3.120 3.915 1.00 . A A . 4 THR HG21 1 1 17 3395 1 1 4 THR HG22 H 10.463 4.513 3.800 1.00 . A A . 4 THR HG22 1 1 17 3396 1 1 4 THR HG23 H 10.493 3.492 5.237 1.00 . A A . 4 THR HG23 1 1 17 3397 1 1 4 THR N N 9.819 1.713 1.877 1.00 . A A . 4 THR N 1 1 17 3398 1 1 4 THR O O 12.238 0.319 1.524 1.00 . A A . 4 THR O 1 1 17 3399 1 1 4 THR OG1 O 11.518 1.380 4.223 1.00 . A A . 4 THR OG1 1 1 17 3400 1 1 5 GLN C C 15.480 1.439 1.101 1.00 . A A . 5 GLN C 1 1 17 3401 1 1 5 GLN CA C 14.301 1.550 0.141 1.00 . A A . 5 GLN CA 1 1 17 3402 1 1 5 GLN CB C 14.725 2.300 -1.123 1.00 . A A . 5 GLN CB 1 1 17 3403 1 1 5 GLN CD C 12.665 3.580 -1.830 1.00 . A A . 5 GLN CD 1 1 17 3404 1 1 5 GLN CG C 13.612 2.440 -2.149 1.00 . A A . 5 GLN CG 1 1 17 3405 1 1 5 GLN H H 13.112 3.200 0.726 1.00 . A A . 5 GLN H 1 1 17 3406 1 1 5 GLN HA H 13.981 0.555 -0.132 1.00 . A A . 5 GLN HA 1 1 17 3407 1 1 5 GLN HB2 H 15.057 3.289 -0.846 1.00 . A A . 5 GLN HB2 1 1 17 3408 1 1 5 GLN HB3 H 15.545 1.769 -1.584 1.00 . A A . 5 GLN HB3 1 1 17 3409 1 1 5 GLN HE21 H 14.005 4.904 -2.466 1.00 . A A . 5 GLN HE21 1 1 17 3410 1 1 5 GLN HE22 H 12.514 5.561 -1.893 1.00 . A A . 5 GLN HE22 1 1 17 3411 1 1 5 GLN HG2 H 14.054 2.621 -3.118 1.00 . A A . 5 GLN HG2 1 1 17 3412 1 1 5 GLN HG3 H 13.048 1.520 -2.178 1.00 . A A . 5 GLN HG3 1 1 17 3413 1 1 5 GLN N N 13.174 2.224 0.775 1.00 . A A . 5 GLN N 1 1 17 3414 1 1 5 GLN NE2 N 13.105 4.806 -2.088 1.00 . A A . 5 GLN NE2 1 1 17 3415 1 1 5 GLN O O 16.205 0.444 1.098 1.00 . A A . 5 GLN O 1 1 17 3416 1 1 5 GLN OE1 O 11.549 3.362 -1.357 1.00 . A A . 5 GLN OE1 1 1 17 3417 1 1 6 ALA C C 16.322 1.884 4.219 1.00 . A A . 6 ALA C 1 1 17 3418 1 1 6 ALA CA C 16.758 2.486 2.888 1.00 . A A . 6 ALA CA 1 1 17 3419 1 1 6 ALA CB C 17.263 3.907 3.089 1.00 . A A . 6 ALA CB 1 1 17 3420 1 1 6 ALA H H 15.057 3.233 1.876 1.00 . A A . 6 ALA H 1 1 17 3421 1 1 6 ALA HA H 17.570 1.896 2.486 1.00 . A A . 6 ALA HA 1 1 17 3422 1 1 6 ALA HB1 H 18.343 3.913 3.060 1.00 . A A . 6 ALA HB1 1 1 17 3423 1 1 6 ALA HB2 H 16.878 4.540 2.303 1.00 . A A . 6 ALA HB2 1 1 17 3424 1 1 6 ALA HB3 H 16.926 4.276 4.046 1.00 . A A . 6 ALA HB3 1 1 17 3425 1 1 6 ALA N N 15.668 2.468 1.921 1.00 . A A . 6 ALA N 1 1 17 3426 1 1 6 ALA O O 15.308 2.287 4.790 1.00 . A A . 6 ALA O 1 1 17 3427 1 1 7 TRP C C 16.561 1.287 7.079 1.00 . A A . 7 TRP C 1 1 17 3428 1 1 7 TRP CA C 16.784 0.262 5.973 1.00 . A A . 7 TRP CA 1 1 17 3429 1 1 7 TRP CB C 17.914 -0.691 6.365 1.00 . A A . 7 TRP CB 1 1 17 3430 1 1 7 TRP CD1 C 20.111 -0.031 5.223 1.00 . A A . 7 TRP CD1 1 1 17 3431 1 1 7 TRP CD2 C 19.948 0.628 7.357 1.00 . A A . 7 TRP CD2 1 1 17 3432 1 1 7 TRP CE2 C 21.193 1.050 6.850 1.00 . A A . 7 TRP CE2 1 1 17 3433 1 1 7 TRP CE3 C 19.623 0.932 8.681 1.00 . A A . 7 TRP CE3 1 1 17 3434 1 1 7 TRP CG C 19.272 -0.061 6.300 1.00 . A A . 7 TRP CG 1 1 17 3435 1 1 7 TRP CH2 C 21.766 2.041 8.916 1.00 . A A . 7 TRP CH2 1 1 17 3436 1 1 7 TRP CZ2 C 22.110 1.758 7.622 1.00 . A A . 7 TRP CZ2 1 1 17 3437 1 1 7 TRP CZ3 C 20.534 1.634 9.447 1.00 . A A . 7 TRP CZ3 1 1 17 3438 1 1 7 TRP H H 17.888 0.642 4.207 1.00 . A A . 7 TRP H 1 1 17 3439 1 1 7 TRP HA H 15.876 -0.307 5.837 1.00 . A A . 7 TRP HA 1 1 17 3440 1 1 7 TRP HB2 H 17.753 -1.034 7.376 1.00 . A A . 7 TRP HB2 1 1 17 3441 1 1 7 TRP HB3 H 17.907 -1.540 5.696 1.00 . A A . 7 TRP HB3 1 1 17 3442 1 1 7 TRP HD1 H 19.886 -0.473 4.264 1.00 . A A . 7 TRP HD1 1 1 17 3443 1 1 7 TRP HE1 H 22.024 0.789 4.941 1.00 . A A . 7 TRP HE1 1 1 17 3444 1 1 7 TRP HE3 H 18.679 0.627 9.109 1.00 . A A . 7 TRP HE3 1 1 17 3445 1 1 7 TRP HH2 H 22.447 2.587 9.550 1.00 . A A . 7 TRP HH2 1 1 17 3446 1 1 7 TRP HZ2 H 23.063 2.079 7.227 1.00 . A A . 7 TRP HZ2 1 1 17 3447 1 1 7 TRP HZ3 H 20.301 1.878 10.473 1.00 . A A . 7 TRP HZ3 1 1 17 3448 1 1 7 TRP N N 17.092 0.920 4.708 1.00 . A A . 7 TRP N 1 1 17 3449 1 1 7 TRP NE1 N 21.269 0.635 5.546 1.00 . A A . 7 TRP NE1 1 1 17 3450 1 1 7 TRP O O 17.041 2.419 7.015 1.00 . A A . 7 TRP O 1 1 17 3451 1 1 8 PRO C C 14.119 -0.677 7.194 1.00 . A A . 8 PRO C 1 1 17 3452 1 1 8 PRO CA C 15.239 -0.460 8.206 1.00 . A A . 8 PRO CA 1 1 17 3453 1 1 8 PRO CB C 14.688 -0.518 9.633 1.00 . A A . 8 PRO CB 1 1 17 3454 1 1 8 PRO CD C 15.478 1.712 9.290 1.00 . A A . 8 PRO CD 1 1 17 3455 1 1 8 PRO CG C 14.426 0.903 9.996 1.00 . A A . 8 PRO CG 1 1 17 3456 1 1 8 PRO HA H 15.992 -1.224 8.078 1.00 . A A . 8 PRO HA 1 1 17 3457 1 1 8 PRO HB2 H 13.780 -1.105 9.648 1.00 . A A . 8 PRO HB2 1 1 17 3458 1 1 8 PRO HB3 H 15.422 -0.963 10.288 1.00 . A A . 8 PRO HB3 1 1 17 3459 1 1 8 PRO HD2 H 15.078 2.667 8.985 1.00 . A A . 8 PRO HD2 1 1 17 3460 1 1 8 PRO HD3 H 16.340 1.847 9.927 1.00 . A A . 8 PRO HD3 1 1 17 3461 1 1 8 PRO HG2 H 13.442 1.192 9.660 1.00 . A A . 8 PRO HG2 1 1 17 3462 1 1 8 PRO HG3 H 14.511 1.030 11.065 1.00 . A A . 8 PRO HG3 1 1 17 3463 1 1 8 PRO N N 15.815 0.885 8.119 1.00 . A A . 8 PRO N 1 1 17 3464 1 1 8 PRO O O 13.615 0.263 6.578 1.00 . A A . 8 PRO O 1 1 17 3465 1 1 9 PRO C C 11.280 -1.843 6.548 1.00 . A A . 9 PRO C 1 1 17 3466 1 1 9 PRO CA C 12.653 -2.314 6.080 1.00 . A A . 9 PRO CA 1 1 17 3467 1 1 9 PRO CB C 12.714 -3.843 6.058 1.00 . A A . 9 PRO CB 1 1 17 3468 1 1 9 PRO CD C 14.274 -3.115 7.717 1.00 . A A . 9 PRO CD 1 1 17 3469 1 1 9 PRO CG C 13.312 -4.217 7.371 1.00 . A A . 9 PRO CG 1 1 17 3470 1 1 9 PRO HA H 12.845 -1.930 5.089 1.00 . A A . 9 PRO HA 1 1 17 3471 1 1 9 PRO HB2 H 11.716 -4.245 5.949 1.00 . A A . 9 PRO HB2 1 1 17 3472 1 1 9 PRO HB3 H 13.332 -4.171 5.236 1.00 . A A . 9 PRO HB3 1 1 17 3473 1 1 9 PRO HD2 H 14.294 -2.952 8.784 1.00 . A A . 9 PRO HD2 1 1 17 3474 1 1 9 PRO HD3 H 15.263 -3.348 7.350 1.00 . A A . 9 PRO HD3 1 1 17 3475 1 1 9 PRO HG2 H 12.538 -4.288 8.120 1.00 . A A . 9 PRO HG2 1 1 17 3476 1 1 9 PRO HG3 H 13.836 -5.157 7.281 1.00 . A A . 9 PRO HG3 1 1 17 3477 1 1 9 PRO N N 13.718 -1.945 7.016 1.00 . A A . 9 PRO N 1 1 17 3478 1 1 9 PRO O O 10.501 -2.621 7.100 1.00 . A A . 9 PRO O 1 1 17 3479 1 1 10 ILE C C 8.773 0.142 5.527 1.00 . A A . 10 ILE C 1 1 17 3480 1 1 10 ILE CA C 9.711 0.008 6.722 1.00 . A A . 10 ILE CA 1 1 17 3481 1 1 10 ILE CB C 9.893 1.391 7.375 1.00 . A A . 10 ILE CB 1 1 17 3482 1 1 10 ILE CD1 C 10.473 0.320 9.610 1.00 . A A . 10 ILE CD1 1 1 17 3483 1 1 10 ILE CG1 C 10.884 1.304 8.537 1.00 . A A . 10 ILE CG1 1 1 17 3484 1 1 10 ILE CG2 C 8.553 1.931 7.854 1.00 . A A . 10 ILE CG2 1 1 17 3485 1 1 10 ILE H H 11.652 0.004 5.881 1.00 . A A . 10 ILE H 1 1 17 3486 1 1 10 ILE HA H 9.260 -0.654 7.448 1.00 . A A . 10 ILE HA 1 1 17 3487 1 1 10 ILE HB H 10.281 2.068 6.630 1.00 . A A . 10 ILE HB 1 1 17 3488 1 1 10 ILE HD11 H 10.752 -0.679 9.309 1.00 . A A . 10 ILE HD11 1 1 17 3489 1 1 10 ILE HD12 H 10.967 0.570 10.537 1.00 . A A . 10 ILE HD12 1 1 17 3490 1 1 10 ILE HD13 H 9.402 0.367 9.750 1.00 . A A . 10 ILE HD13 1 1 17 3491 1 1 10 ILE HG12 H 11.847 0.999 8.159 1.00 . A A . 10 ILE HG12 1 1 17 3492 1 1 10 ILE HG13 H 10.975 2.278 8.997 1.00 . A A . 10 ILE HG13 1 1 17 3493 1 1 10 ILE HG21 H 8.667 2.352 8.842 1.00 . A A . 10 ILE HG21 1 1 17 3494 1 1 10 ILE HG22 H 8.211 2.697 7.175 1.00 . A A . 10 ILE HG22 1 1 17 3495 1 1 10 ILE HG23 H 7.832 1.129 7.886 1.00 . A A . 10 ILE HG23 1 1 17 3496 1 1 10 ILE N N 10.990 -0.565 6.324 1.00 . A A . 10 ILE N 1 1 17 3497 1 1 10 ILE O O 8.986 0.977 4.648 1.00 . A A . 10 ILE O 1 1 17 3498 1 1 11 CYS C C 5.431 -0.081 4.892 1.00 . A A . 11 CYS C 1 1 17 3499 1 1 11 CYS CA C 6.760 -0.659 4.417 1.00 . A A . 11 CYS CA 1 1 17 3500 1 1 11 CYS CB C 6.547 -2.069 3.863 1.00 . A A . 11 CYS CB 1 1 17 3501 1 1 11 CYS H H 7.617 -1.329 6.233 1.00 . A A . 11 CYS H 1 1 17 3502 1 1 11 CYS HA H 7.154 -0.030 3.634 1.00 . A A . 11 CYS HA 1 1 17 3503 1 1 11 CYS HB2 H 6.777 -2.790 4.634 1.00 . A A . 11 CYS HB2 1 1 17 3504 1 1 11 CYS HB3 H 5.513 -2.180 3.570 1.00 . A A . 11 CYS HB3 1 1 17 3505 1 1 11 CYS N N 7.733 -0.685 5.503 1.00 . A A . 11 CYS N 1 1 17 3506 1 1 11 CYS O O 4.900 -0.484 5.928 1.00 . A A . 11 CYS O 1 1 17 3507 1 1 11 CYS SG S 7.579 -2.462 2.414 1.00 . A A . 11 CYS SG 1 1 17 3508 1 1 12 PHE C C 2.458 0.568 4.179 1.00 . A A . 12 PHE C 1 1 17 3509 1 1 12 PHE CA C 3.630 1.501 4.469 1.00 . A A . 12 PHE CA 1 1 17 3510 1 1 12 PHE CB C 3.462 2.807 3.689 1.00 . A A . 12 PHE CB 1 1 17 3511 1 1 12 PHE CD1 C 5.313 4.033 4.859 1.00 . A A . 12 PHE CD1 1 1 17 3512 1 1 12 PHE CD2 C 3.200 5.115 4.637 1.00 . A A . 12 PHE CD2 1 1 17 3513 1 1 12 PHE CE1 C 5.814 5.138 5.522 1.00 . A A . 12 PHE CE1 1 1 17 3514 1 1 12 PHE CE2 C 3.695 6.223 5.299 1.00 . A A . 12 PHE CE2 1 1 17 3515 1 1 12 PHE CG C 4.003 4.009 4.409 1.00 . A A . 12 PHE CG 1 1 17 3516 1 1 12 PHE CZ C 5.003 6.234 5.743 1.00 . A A . 12 PHE CZ 1 1 17 3517 1 1 12 PHE H H 5.368 1.145 3.314 1.00 . A A . 12 PHE H 1 1 17 3518 1 1 12 PHE HA H 3.645 1.722 5.525 1.00 . A A . 12 PHE HA 1 1 17 3519 1 1 12 PHE HB2 H 3.982 2.724 2.747 1.00 . A A . 12 PHE HB2 1 1 17 3520 1 1 12 PHE HB3 H 2.412 2.974 3.503 1.00 . A A . 12 PHE HB3 1 1 17 3521 1 1 12 PHE HD1 H 5.948 3.175 4.687 1.00 . A A . 12 PHE HD1 1 1 17 3522 1 1 12 PHE HD2 H 2.177 5.108 4.292 1.00 . A A . 12 PHE HD2 1 1 17 3523 1 1 12 PHE HE1 H 6.837 5.142 5.867 1.00 . A A . 12 PHE HE1 1 1 17 3524 1 1 12 PHE HE2 H 3.059 7.079 5.471 1.00 . A A . 12 PHE HE2 1 1 17 3525 1 1 12 PHE HZ H 5.392 7.098 6.260 1.00 . A A . 12 PHE HZ 1 1 17 3526 1 1 12 PHE N N 4.897 0.866 4.127 1.00 . A A . 12 PHE N 1 1 17 3527 1 1 12 PHE O O 2.569 -0.390 3.414 1.00 . A A . 12 PHE O 1 1 17 3528 1 1 13 PRO C C -0.512 0.210 3.238 1.00 . A A . 13 PRO C 1 1 17 3529 1 1 13 PRO CA C 0.091 0.051 4.630 1.00 . A A . 13 PRO CA 1 1 17 3530 1 1 13 PRO CB C -0.859 0.611 5.692 1.00 . A A . 13 PRO CB 1 1 17 3531 1 1 13 PRO CD C 1.101 1.979 5.731 1.00 . A A . 13 PRO CD 1 1 17 3532 1 1 13 PRO CG C -0.390 2.006 5.921 1.00 . A A . 13 PRO CG 1 1 17 3533 1 1 13 PRO HA H 0.275 -0.995 4.825 1.00 . A A . 13 PRO HA 1 1 17 3534 1 1 13 PRO HB2 H -1.873 0.591 5.318 1.00 . A A . 13 PRO HB2 1 1 17 3535 1 1 13 PRO HB3 H -0.789 0.018 6.591 1.00 . A A . 13 PRO HB3 1 1 17 3536 1 1 13 PRO HD2 H 1.443 2.905 5.294 1.00 . A A . 13 PRO HD2 1 1 17 3537 1 1 13 PRO HD3 H 1.599 1.798 6.673 1.00 . A A . 13 PRO HD3 1 1 17 3538 1 1 13 PRO HG2 H -0.847 2.670 5.204 1.00 . A A . 13 PRO HG2 1 1 17 3539 1 1 13 PRO HG3 H -0.633 2.314 6.928 1.00 . A A . 13 PRO HG3 1 1 17 3540 1 1 13 PRO N N 1.306 0.853 4.805 1.00 . A A . 13 PRO N 1 1 17 3541 1 1 13 PRO O O -1.092 -0.729 2.692 1.00 . A A . 13 PRO O 1 1 17 3542 1 1 14 ASP C C -0.430 0.637 0.336 1.00 . A A . 14 ASP C 1 1 17 3543 1 1 14 ASP CA C -0.902 1.683 1.341 1.00 . A A . 14 ASP CA 1 1 17 3544 1 1 14 ASP CB C -0.475 3.078 0.882 1.00 . A A . 14 ASP CB 1 1 17 3545 1 1 14 ASP CG C -0.631 3.269 -0.614 1.00 . A A . 14 ASP CG 1 1 17 3546 1 1 14 ASP H H 0.101 2.110 3.156 1.00 . A A . 14 ASP H 1 1 17 3547 1 1 14 ASP HA H -1.979 1.647 1.399 1.00 . A A . 14 ASP HA 1 1 17 3548 1 1 14 ASP HB2 H -1.082 3.817 1.386 1.00 . A A . 14 ASP HB2 1 1 17 3549 1 1 14 ASP HB3 H 0.562 3.233 1.141 1.00 . A A . 14 ASP HB3 1 1 17 3550 1 1 14 ASP N N -0.372 1.402 2.670 1.00 . A A . 14 ASP N 1 1 17 3551 1 1 14 ASP O O -1.240 -0.061 -0.275 1.00 . A A . 14 ASP O 1 1 17 3552 1 1 14 ASP OD1 O 0.348 3.020 -1.349 1.00 . A A . 14 ASP OD1 1 1 17 3553 1 1 14 ASP OD2 O -1.732 3.665 -1.049 1.00 . A A . 14 ASP OD2 1 1 18 3554 1 1 1 GLY C C 3.017 1.404 -1.164 1.00 . A A . 1 GLY C 1 1 18 3555 1 1 1 GLY CA C 1.573 0.990 -1.363 1.00 . A A . 1 GLY CA 1 1 18 3556 1 1 1 GLY H1 H 1.340 0.665 0.717 1.00 . A A . 1 GLY H1 1 1 18 3557 1 1 1 GLY HA2 H 1.548 0.039 -1.873 1.00 . A A . 1 GLY HA2 1 1 18 3558 1 1 1 GLY HA3 H 1.080 1.730 -1.977 1.00 . A A . 1 GLY HA3 1 1 18 3559 1 1 1 GLY N N 0.852 0.869 -0.109 1.00 . A A . 1 GLY N 1 1 18 3560 1 1 1 GLY O O 3.936 0.660 -1.509 1.00 . A A . 1 GLY O 1 1 18 3561 1 1 2 ARG C C 5.405 2.085 0.394 1.00 . A A . 2 ARG C 1 1 18 3562 1 1 2 ARG CA C 4.563 3.106 -0.366 1.00 . A A . 2 ARG CA 1 1 18 3563 1 1 2 ARG CB C 4.498 4.417 0.420 1.00 . A A . 2 ARG CB 1 1 18 3564 1 1 2 ARG CD C 5.720 6.456 1.236 1.00 . A A . 2 ARG CD 1 1 18 3565 1 1 2 ARG CG C 5.856 5.066 0.633 1.00 . A A . 2 ARG CG 1 1 18 3566 1 1 2 ARG CZ C 4.554 8.556 0.709 1.00 . A A . 2 ARG CZ 1 1 18 3567 1 1 2 ARG H H 2.447 3.140 -0.353 1.00 . A A . 2 ARG H 1 1 18 3568 1 1 2 ARG HA H 5.024 3.293 -1.324 1.00 . A A . 2 ARG HA 1 1 18 3569 1 1 2 ARG HB2 H 3.870 5.114 -0.116 1.00 . A A . 2 ARG HB2 1 1 18 3570 1 1 2 ARG HB3 H 4.061 4.221 1.387 1.00 . A A . 2 ARG HB3 1 1 18 3571 1 1 2 ARG HD2 H 5.147 6.383 2.149 1.00 . A A . 2 ARG HD2 1 1 18 3572 1 1 2 ARG HD3 H 6.706 6.835 1.459 1.00 . A A . 2 ARG HD3 1 1 18 3573 1 1 2 ARG HE H 4.962 7.117 -0.610 1.00 . A A . 2 ARG HE 1 1 18 3574 1 1 2 ARG HG2 H 6.438 4.451 1.303 1.00 . A A . 2 ARG HG2 1 1 18 3575 1 1 2 ARG HG3 H 6.361 5.144 -0.318 1.00 . A A . 2 ARG HG3 1 1 18 3576 1 1 2 ARG HH11 H 5.106 8.351 2.642 1.00 . A A . 2 ARG HH11 1 1 18 3577 1 1 2 ARG HH12 H 4.284 9.827 2.257 1.00 . A A . 2 ARG HH12 1 1 18 3578 1 1 2 ARG HH21 H 3.879 9.056 -1.129 1.00 . A A . 2 ARG HH21 1 1 18 3579 1 1 2 ARG HH22 H 3.586 10.226 0.112 1.00 . A A . 2 ARG HH22 1 1 18 3580 1 1 2 ARG N N 3.219 2.593 -0.607 1.00 . A A . 2 ARG N 1 1 18 3581 1 1 2 ARG NE N 5.049 7.383 0.328 1.00 . A A . 2 ARG NE 1 1 18 3582 1 1 2 ARG NH1 N 4.656 8.943 1.973 1.00 . A A . 2 ARG NH1 1 1 18 3583 1 1 2 ARG NH2 N 3.958 9.344 -0.176 1.00 . A A . 2 ARG NH2 1 1 18 3584 1 1 2 ARG O O 4.875 1.240 1.115 1.00 . A A . 2 ARG O 1 1 18 3585 1 1 3 CYS C C 9.054 1.823 0.917 1.00 . A A . 3 CYS C 1 1 18 3586 1 1 3 CYS CA C 7.638 1.256 0.896 1.00 . A A . 3 CYS CA 1 1 18 3587 1 1 3 CYS CB C 7.632 -0.106 0.199 1.00 . A A . 3 CYS CB 1 1 18 3588 1 1 3 CYS H H 7.085 2.867 -0.360 1.00 . A A . 3 CYS H 1 1 18 3589 1 1 3 CYS HA H 7.299 1.130 1.914 1.00 . A A . 3 CYS HA 1 1 18 3590 1 1 3 CYS HB2 H 6.640 -0.301 -0.184 1.00 . A A . 3 CYS HB2 1 1 18 3591 1 1 3 CYS HB3 H 8.331 -0.083 -0.624 1.00 . A A . 3 CYS HB3 1 1 18 3592 1 1 3 CYS N N 6.721 2.171 0.228 1.00 . A A . 3 CYS N 1 1 18 3593 1 1 3 CYS O O 9.529 2.376 -0.076 1.00 . A A . 3 CYS O 1 1 18 3594 1 1 3 CYS SG S 8.090 -1.498 1.280 1.00 . A A . 3 CYS SG 1 1 18 3595 1 1 4 THR C C 12.097 1.215 1.596 1.00 . A A . 4 THR C 1 1 18 3596 1 1 4 THR CA C 11.087 2.180 2.206 1.00 . A A . 4 THR CA 1 1 18 3597 1 1 4 THR CB C 11.442 2.407 3.688 1.00 . A A . 4 THR CB 1 1 18 3598 1 1 4 THR CG2 C 10.368 3.232 4.381 1.00 . A A . 4 THR CG2 1 1 18 3599 1 1 4 THR H H 9.294 1.233 2.811 1.00 . A A . 4 THR H 1 1 18 3600 1 1 4 THR HA H 11.154 3.129 1.693 1.00 . A A . 4 THR HA 1 1 18 3601 1 1 4 THR HB H 12.378 2.944 3.741 1.00 . A A . 4 THR HB 1 1 18 3602 1 1 4 THR HG1 H 12.496 1.043 4.646 1.00 . A A . 4 THR HG1 1 1 18 3603 1 1 4 THR HG21 H 10.700 3.493 5.375 1.00 . A A . 4 THR HG21 1 1 18 3604 1 1 4 THR HG22 H 9.457 2.656 4.445 1.00 . A A . 4 THR HG22 1 1 18 3605 1 1 4 THR HG23 H 10.186 4.133 3.815 1.00 . A A . 4 THR HG23 1 1 18 3606 1 1 4 THR N N 9.726 1.682 2.055 1.00 . A A . 4 THR N 1 1 18 3607 1 1 4 THR O O 12.218 0.071 2.033 1.00 . A A . 4 THR O 1 1 18 3608 1 1 4 THR OG1 O 11.587 1.148 4.355 1.00 . A A . 4 THR OG1 1 1 18 3609 1 1 5 GLN C C 15.058 0.690 0.787 1.00 . A A . 5 GLN C 1 1 18 3610 1 1 5 GLN CA C 13.820 0.861 -0.086 1.00 . A A . 5 GLN CA 1 1 18 3611 1 1 5 GLN CB C 14.209 1.485 -1.427 1.00 . A A . 5 GLN CB 1 1 18 3612 1 1 5 GLN CD C 15.148 3.492 -2.642 1.00 . A A . 5 GLN CD 1 1 18 3613 1 1 5 GLN CG C 14.698 2.920 -1.312 1.00 . A A . 5 GLN CG 1 1 18 3614 1 1 5 GLN H H 12.678 2.605 0.281 1.00 . A A . 5 GLN H 1 1 18 3615 1 1 5 GLN HA H 13.384 -0.110 -0.265 1.00 . A A . 5 GLN HA 1 1 18 3616 1 1 5 GLN HB2 H 14.996 0.893 -1.871 1.00 . A A . 5 GLN HB2 1 1 18 3617 1 1 5 GLN HB3 H 13.349 1.473 -2.080 1.00 . A A . 5 GLN HB3 1 1 18 3618 1 1 5 GLN HE21 H 17.022 3.602 -1.988 1.00 . A A . 5 GLN HE21 1 1 18 3619 1 1 5 GLN HE22 H 16.758 4.147 -3.606 1.00 . A A . 5 GLN HE22 1 1 18 3620 1 1 5 GLN HG2 H 13.895 3.531 -0.928 1.00 . A A . 5 GLN HG2 1 1 18 3621 1 1 5 GLN HG3 H 15.531 2.948 -0.624 1.00 . A A . 5 GLN HG3 1 1 18 3622 1 1 5 GLN N N 12.820 1.684 0.584 1.00 . A A . 5 GLN N 1 1 18 3623 1 1 5 GLN NE2 N 16.440 3.777 -2.758 1.00 . A A . 5 GLN NE2 1 1 18 3624 1 1 5 GLN O O 15.673 -0.376 0.807 1.00 . A A . 5 GLN O 1 1 18 3625 1 1 5 GLN OE1 O 14.343 3.676 -3.555 1.00 . A A . 5 GLN OE1 1 1 18 3626 1 1 6 ALA C C 16.182 1.380 3.817 1.00 . A A . 6 ALA C 1 1 18 3627 1 1 6 ALA CA C 16.583 1.713 2.384 1.00 . A A . 6 ALA CA 1 1 18 3628 1 1 6 ALA CB C 17.319 3.044 2.336 1.00 . A A . 6 ALA CB 1 1 18 3629 1 1 6 ALA H H 14.888 2.569 1.449 1.00 . A A . 6 ALA H 1 1 18 3630 1 1 6 ALA HA H 17.252 0.946 2.021 1.00 . A A . 6 ALA HA 1 1 18 3631 1 1 6 ALA HB1 H 16.877 3.671 1.575 1.00 . A A . 6 ALA HB1 1 1 18 3632 1 1 6 ALA HB2 H 17.242 3.532 3.295 1.00 . A A . 6 ALA HB2 1 1 18 3633 1 1 6 ALA HB3 H 18.359 2.871 2.101 1.00 . A A . 6 ALA HB3 1 1 18 3634 1 1 6 ALA N N 15.419 1.747 1.508 1.00 . A A . 6 ALA N 1 1 18 3635 1 1 6 ALA O O 15.136 1.818 4.296 1.00 . A A . 6 ALA O 1 1 18 3636 1 1 7 TRP C C 16.439 1.430 6.736 1.00 . A A . 7 TRP C 1 1 18 3637 1 1 7 TRP CA C 16.749 0.211 5.874 1.00 . A A . 7 TRP CA 1 1 18 3638 1 1 7 TRP CB C 17.945 -0.547 6.453 1.00 . A A . 7 TRP CB 1 1 18 3639 1 1 7 TRP CD1 C 20.095 0.028 5.183 1.00 . A A . 7 TRP CD1 1 1 18 3640 1 1 7 TRP CD2 C 19.863 1.103 7.133 1.00 . A A . 7 TRP CD2 1 1 18 3641 1 1 7 TRP CE2 C 21.076 1.505 6.540 1.00 . A A . 7 TRP CE2 1 1 18 3642 1 1 7 TRP CE3 C 19.503 1.650 8.368 1.00 . A A . 7 TRP CE3 1 1 18 3643 1 1 7 TRP CG C 19.251 0.158 6.248 1.00 . A A . 7 TRP CG 1 1 18 3644 1 1 7 TRP CH2 C 21.552 2.946 8.350 1.00 . A A . 7 TRP CH2 1 1 18 3645 1 1 7 TRP CZ2 C 21.929 2.426 7.142 1.00 . A A . 7 TRP CZ2 1 1 18 3646 1 1 7 TRP CZ3 C 20.351 2.564 8.964 1.00 . A A . 7 TRP CZ3 1 1 18 3647 1 1 7 TRP H H 17.836 0.285 4.059 1.00 . A A . 7 TRP H 1 1 18 3648 1 1 7 TRP HA H 15.888 -0.441 5.870 1.00 . A A . 7 TRP HA 1 1 18 3649 1 1 7 TRP HB2 H 17.800 -0.679 7.515 1.00 . A A . 7 TRP HB2 1 1 18 3650 1 1 7 TRP HB3 H 18.011 -1.516 5.979 1.00 . A A . 7 TRP HB3 1 1 18 3651 1 1 7 TRP HD1 H 19.913 -0.620 4.339 1.00 . A A . 7 TRP HD1 1 1 18 3652 1 1 7 TRP HE1 H 21.942 0.916 4.723 1.00 . A A . 7 TRP HE1 1 1 18 3653 1 1 7 TRP HE3 H 18.582 1.369 8.856 1.00 . A A . 7 TRP HE3 1 1 18 3654 1 1 7 TRP HH2 H 22.183 3.663 8.852 1.00 . A A . 7 TRP HH2 1 1 18 3655 1 1 7 TRP HZ2 H 22.858 2.731 6.682 1.00 . A A . 7 TRP HZ2 1 1 18 3656 1 1 7 TRP HZ3 H 20.090 2.998 9.918 1.00 . A A . 7 TRP HZ3 1 1 18 3657 1 1 7 TRP N N 17.018 0.603 4.495 1.00 . A A . 7 TRP N 1 1 18 3658 1 1 7 TRP NE1 N 21.195 0.834 5.352 1.00 . A A . 7 TRP NE1 1 1 18 3659 1 1 7 TRP O O 16.834 2.554 6.428 1.00 . A A . 7 TRP O 1 1 18 3660 1 1 8 PRO C C 14.149 -0.642 7.284 1.00 . A A . 8 PRO C 1 1 18 3661 1 1 8 PRO CA C 15.239 -0.130 8.219 1.00 . A A . 8 PRO CA 1 1 18 3662 1 1 8 PRO CB C 14.680 0.078 9.629 1.00 . A A . 8 PRO CB 1 1 18 3663 1 1 8 PRO CD C 15.305 2.236 8.811 1.00 . A A . 8 PRO CD 1 1 18 3664 1 1 8 PRO CG C 14.309 1.520 9.681 1.00 . A A . 8 PRO CG 1 1 18 3665 1 1 8 PRO HA H 16.048 -0.844 8.253 1.00 . A A . 8 PRO HA 1 1 18 3666 1 1 8 PRO HB2 H 13.818 -0.558 9.775 1.00 . A A . 8 PRO HB2 1 1 18 3667 1 1 8 PRO HB3 H 15.438 -0.160 10.360 1.00 . A A . 8 PRO HB3 1 1 18 3668 1 1 8 PRO HD2 H 14.838 3.071 8.310 1.00 . A A . 8 PRO HD2 1 1 18 3669 1 1 8 PRO HD3 H 16.148 2.569 9.398 1.00 . A A . 8 PRO HD3 1 1 18 3670 1 1 8 PRO HG2 H 13.310 1.656 9.296 1.00 . A A . 8 PRO HG2 1 1 18 3671 1 1 8 PRO HG3 H 14.373 1.879 10.697 1.00 . A A . 8 PRO HG3 1 1 18 3672 1 1 8 PRO N N 15.715 1.205 7.843 1.00 . A A . 8 PRO N 1 1 18 3673 1 1 8 PRO O O 13.588 0.102 6.480 1.00 . A A . 8 PRO O 1 1 18 3674 1 1 9 PRO C C 11.407 -2.120 6.921 1.00 . A A . 9 PRO C 1 1 18 3675 1 1 9 PRO CA C 12.815 -2.583 6.562 1.00 . A A . 9 PRO CA 1 1 18 3676 1 1 9 PRO CB C 12.984 -4.072 6.875 1.00 . A A . 9 PRO CB 1 1 18 3677 1 1 9 PRO CD C 14.470 -2.889 8.327 1.00 . A A . 9 PRO CD 1 1 18 3678 1 1 9 PRO CG C 13.592 -4.106 8.235 1.00 . A A . 9 PRO CG 1 1 18 3679 1 1 9 PRO HA H 12.991 -2.413 5.510 1.00 . A A . 9 PRO HA 1 1 18 3680 1 1 9 PRO HB2 H 12.018 -4.557 6.861 1.00 . A A . 9 PRO HB2 1 1 18 3681 1 1 9 PRO HB3 H 13.633 -4.526 6.142 1.00 . A A . 9 PRO HB3 1 1 18 3682 1 1 9 PRO HD2 H 14.466 -2.496 9.333 1.00 . A A . 9 PRO HD2 1 1 18 3683 1 1 9 PRO HD3 H 15.477 -3.126 8.016 1.00 . A A . 9 PRO HD3 1 1 18 3684 1 1 9 PRO HG2 H 12.816 -4.066 8.985 1.00 . A A . 9 PRO HG2 1 1 18 3685 1 1 9 PRO HG3 H 14.182 -5.003 8.351 1.00 . A A . 9 PRO HG3 1 1 18 3686 1 1 9 PRO N N 13.841 -1.943 7.390 1.00 . A A . 9 PRO N 1 1 18 3687 1 1 9 PRO O O 10.713 -2.765 7.707 1.00 . A A . 9 PRO O 1 1 18 3688 1 1 10 ILE C C 8.826 -0.420 5.328 1.00 . A A . 10 ILE C 1 1 18 3689 1 1 10 ILE CA C 9.667 -0.451 6.600 1.00 . A A . 10 ILE CA 1 1 18 3690 1 1 10 ILE CB C 9.750 0.973 7.181 1.00 . A A . 10 ILE CB 1 1 18 3691 1 1 10 ILE CD1 C 10.790 2.361 9.044 1.00 . A A . 10 ILE CD1 1 1 18 3692 1 1 10 ILE CG1 C 10.645 0.990 8.422 1.00 . A A . 10 ILE CG1 1 1 18 3693 1 1 10 ILE CG2 C 8.359 1.490 7.518 1.00 . A A . 10 ILE CG2 1 1 18 3694 1 1 10 ILE H H 11.591 -0.530 5.724 1.00 . A A . 10 ILE H 1 1 18 3695 1 1 10 ILE HA H 9.179 -1.086 7.325 1.00 . A A . 10 ILE HA 1 1 18 3696 1 1 10 ILE HB H 10.176 1.620 6.430 1.00 . A A . 10 ILE HB 1 1 18 3697 1 1 10 ILE HD11 H 11.463 2.305 9.886 1.00 . A A . 10 ILE HD11 1 1 18 3698 1 1 10 ILE HD12 H 11.184 3.049 8.312 1.00 . A A . 10 ILE HD12 1 1 18 3699 1 1 10 ILE HD13 H 9.823 2.708 9.380 1.00 . A A . 10 ILE HD13 1 1 18 3700 1 1 10 ILE HG12 H 10.229 0.330 9.167 1.00 . A A . 10 ILE HG12 1 1 18 3701 1 1 10 ILE HG13 H 11.631 0.642 8.149 1.00 . A A . 10 ILE HG13 1 1 18 3702 1 1 10 ILE HG21 H 7.765 1.537 6.617 1.00 . A A . 10 ILE HG21 1 1 18 3703 1 1 10 ILE HG22 H 7.888 0.821 8.223 1.00 . A A . 10 ILE HG22 1 1 18 3704 1 1 10 ILE HG23 H 8.436 2.475 7.951 1.00 . A A . 10 ILE HG23 1 1 18 3705 1 1 10 ILE N N 10.992 -0.999 6.341 1.00 . A A . 10 ILE N 1 1 18 3706 1 1 10 ILE O O 9.348 -0.220 4.231 1.00 . A A . 10 ILE O 1 1 18 3707 1 1 11 CYS C C 5.231 -0.100 4.760 1.00 . A A . 11 CYS C 1 1 18 3708 1 1 11 CYS CA C 6.607 -0.614 4.347 1.00 . A A . 11 CYS CA 1 1 18 3709 1 1 11 CYS CB C 6.483 -2.020 3.758 1.00 . A A . 11 CYS CB 1 1 18 3710 1 1 11 CYS H H 7.165 -0.774 6.383 1.00 . A A . 11 CYS H 1 1 18 3711 1 1 11 CYS HA H 7.014 0.046 3.596 1.00 . A A . 11 CYS HA 1 1 18 3712 1 1 11 CYS HB2 H 7.398 -2.563 3.946 1.00 . A A . 11 CYS HB2 1 1 18 3713 1 1 11 CYS HB3 H 5.662 -2.532 4.239 1.00 . A A . 11 CYS HB3 1 1 18 3714 1 1 11 CYS N N 7.522 -0.619 5.482 1.00 . A A . 11 CYS N 1 1 18 3715 1 1 11 CYS O O 4.693 -0.496 5.793 1.00 . A A . 11 CYS O 1 1 18 3716 1 1 11 CYS SG S 6.182 -2.051 1.962 1.00 . A A . 11 CYS SG 1 1 18 3717 1 1 12 PHE C C 2.245 0.381 3.835 1.00 . A A . 12 PHE C 1 1 18 3718 1 1 12 PHE CA C 3.354 1.354 4.224 1.00 . A A . 12 PHE CA 1 1 18 3719 1 1 12 PHE CB C 3.176 2.674 3.471 1.00 . A A . 12 PHE CB 1 1 18 3720 1 1 12 PHE CD1 C 2.825 4.908 4.559 1.00 . A A . 12 PHE CD1 1 1 18 3721 1 1 12 PHE CD2 C 5.009 3.954 4.611 1.00 . A A . 12 PHE CD2 1 1 18 3722 1 1 12 PHE CE1 C 3.285 6.009 5.256 1.00 . A A . 12 PHE CE1 1 1 18 3723 1 1 12 PHE CE2 C 5.475 5.052 5.309 1.00 . A A . 12 PHE CE2 1 1 18 3724 1 1 12 PHE CG C 3.680 3.869 4.229 1.00 . A A . 12 PHE CG 1 1 18 3725 1 1 12 PHE CZ C 4.613 6.081 5.631 1.00 . A A . 12 PHE CZ 1 1 18 3726 1 1 12 PHE H H 5.146 1.062 3.135 1.00 . A A . 12 PHE H 1 1 18 3727 1 1 12 PHE HA H 3.295 1.544 5.284 1.00 . A A . 12 PHE HA 1 1 18 3728 1 1 12 PHE HB2 H 3.714 2.623 2.537 1.00 . A A . 12 PHE HB2 1 1 18 3729 1 1 12 PHE HB3 H 2.126 2.826 3.269 1.00 . A A . 12 PHE HB3 1 1 18 3730 1 1 12 PHE HD1 H 1.786 4.853 4.265 1.00 . A A . 12 PHE HD1 1 1 18 3731 1 1 12 PHE HD2 H 5.685 3.150 4.359 1.00 . A A . 12 PHE HD2 1 1 18 3732 1 1 12 PHE HE1 H 2.608 6.812 5.506 1.00 . A A . 12 PHE HE1 1 1 18 3733 1 1 12 PHE HE2 H 6.514 5.106 5.600 1.00 . A A . 12 PHE HE2 1 1 18 3734 1 1 12 PHE HZ H 4.974 6.940 6.176 1.00 . A A . 12 PHE HZ 1 1 18 3735 1 1 12 PHE N N 4.667 0.785 3.944 1.00 . A A . 12 PHE N 1 1 18 3736 1 1 12 PHE O O 2.445 -0.547 3.051 1.00 . A A . 12 PHE O 1 1 18 3737 1 1 13 PRO C C -0.644 -0.076 2.705 1.00 . A A . 13 PRO C 1 1 18 3738 1 1 13 PRO CA C -0.119 -0.252 4.126 1.00 . A A . 13 PRO CA 1 1 18 3739 1 1 13 PRO CB C -1.155 0.232 5.143 1.00 . A A . 13 PRO CB 1 1 18 3740 1 1 13 PRO CD C 0.736 1.682 5.342 1.00 . A A . 13 PRO CD 1 1 18 3741 1 1 13 PRO CG C -0.764 1.638 5.441 1.00 . A A . 13 PRO CG 1 1 18 3742 1 1 13 PRO HA H 0.100 -1.295 4.301 1.00 . A A . 13 PRO HA 1 1 18 3743 1 1 13 PRO HB2 H -2.143 0.179 4.707 1.00 . A A . 13 PRO HB2 1 1 18 3744 1 1 13 PRO HB3 H -1.112 -0.385 6.028 1.00 . A A . 13 PRO HB3 1 1 18 3745 1 1 13 PRO HD2 H 1.061 2.635 4.953 1.00 . A A . 13 PRO HD2 1 1 18 3746 1 1 13 PRO HD3 H 1.183 1.493 6.306 1.00 . A A . 13 PRO HD3 1 1 18 3747 1 1 13 PRO HG2 H -1.207 2.304 4.717 1.00 . A A . 13 PRO HG2 1 1 18 3748 1 1 13 PRO HG3 H -1.081 1.903 6.439 1.00 . A A . 13 PRO HG3 1 1 18 3749 1 1 13 PRO N N 1.046 0.595 4.398 1.00 . A A . 13 PRO N 1 1 18 3750 1 1 13 PRO O O -0.925 -1.054 2.011 1.00 . A A . 13 PRO O 1 1 18 3751 1 1 14 ASP C C -0.477 0.709 -0.116 1.00 . A A . 14 ASP C 1 1 18 3752 1 1 14 ASP CA C -1.266 1.478 0.939 1.00 . A A . 14 ASP CA 1 1 18 3753 1 1 14 ASP CB C -1.174 2.981 0.668 1.00 . A A . 14 ASP CB 1 1 18 3754 1 1 14 ASP CG C 0.101 3.591 1.216 1.00 . A A . 14 ASP CG 1 1 18 3755 1 1 14 ASP H H -0.535 1.912 2.878 1.00 . A A . 14 ASP H 1 1 18 3756 1 1 14 ASP HA H -2.301 1.175 0.889 1.00 . A A . 14 ASP HA 1 1 18 3757 1 1 14 ASP HB2 H -1.203 3.150 -0.399 1.00 . A A . 14 ASP HB2 1 1 18 3758 1 1 14 ASP HB3 H -2.017 3.475 1.129 1.00 . A A . 14 ASP HB3 1 1 18 3759 1 1 14 ASP N N -0.775 1.175 2.278 1.00 . A A . 14 ASP N 1 1 18 3760 1 1 14 ASP O O -1.018 -0.164 -0.796 1.00 . A A . 14 ASP O 1 1 18 3761 1 1 14 ASP OD1 O 1.005 3.898 0.411 1.00 . A A . 14 ASP OD1 1 1 18 3762 1 1 14 ASP OD2 O 0.193 3.763 2.449 1.00 . A A . 14 ASP OD2 1 1 19 3763 1 1 1 GLY C C 2.891 1.706 -0.998 1.00 . A A . 1 GLY C 1 1 19 3764 1 1 1 GLY CA C 1.480 1.187 -1.188 1.00 . A A . 1 GLY CA 1 1 19 3765 1 1 1 GLY H1 H 1.258 0.990 0.908 1.00 . A A . 1 GLY H1 1 1 19 3766 1 1 1 GLY HA2 H 1.525 0.219 -1.665 1.00 . A A . 1 GLY HA2 1 1 19 3767 1 1 1 GLY HA3 H 0.942 1.869 -1.830 1.00 . A A . 1 GLY HA3 1 1 19 3768 1 1 1 GLY N N 0.762 1.058 0.066 1.00 . A A . 1 GLY N 1 1 19 3769 1 1 1 GLY O O 3.859 1.049 -1.383 1.00 . A A . 1 GLY O 1 1 19 3770 1 1 2 ARG C C 5.207 2.566 0.650 1.00 . A A . 2 ARG C 1 1 19 3771 1 1 2 ARG CA C 4.313 3.497 -0.165 1.00 . A A . 2 ARG CA 1 1 19 3772 1 1 2 ARG CB C 4.151 4.832 0.564 1.00 . A A . 2 ARG CB 1 1 19 3773 1 1 2 ARG CD C 6.269 5.894 -0.275 1.00 . A A . 2 ARG CD 1 1 19 3774 1 1 2 ARG CG C 5.471 5.479 0.951 1.00 . A A . 2 ARG CG 1 1 19 3775 1 1 2 ARG CZ C 6.449 7.813 -1.802 1.00 . A A . 2 ARG CZ 1 1 19 3776 1 1 2 ARG H H 2.202 3.364 -0.118 1.00 . A A . 2 ARG H 1 1 19 3777 1 1 2 ARG HA H 4.777 3.673 -1.123 1.00 . A A . 2 ARG HA 1 1 19 3778 1 1 2 ARG HB2 H 3.615 5.516 -0.078 1.00 . A A . 2 ARG HB2 1 1 19 3779 1 1 2 ARG HB3 H 3.577 4.670 1.463 1.00 . A A . 2 ARG HB3 1 1 19 3780 1 1 2 ARG HD2 H 7.317 5.915 -0.016 1.00 . A A . 2 ARG HD2 1 1 19 3781 1 1 2 ARG HD3 H 6.106 5.166 -1.057 1.00 . A A . 2 ARG HD3 1 1 19 3782 1 1 2 ARG HE H 5.148 7.671 -0.296 1.00 . A A . 2 ARG HE 1 1 19 3783 1 1 2 ARG HG2 H 5.270 6.355 1.549 1.00 . A A . 2 ARG HG2 1 1 19 3784 1 1 2 ARG HG3 H 6.052 4.773 1.526 1.00 . A A . 2 ARG HG3 1 1 19 3785 1 1 2 ARG HH11 H 7.749 6.311 -2.168 1.00 . A A . 2 ARG HH11 1 1 19 3786 1 1 2 ARG HH12 H 7.865 7.669 -3.237 1.00 . A A . 2 ARG HH12 1 1 19 3787 1 1 2 ARG HH21 H 5.291 9.466 -1.697 1.00 . A A . 2 ARG HH21 1 1 19 3788 1 1 2 ARG HH22 H 6.466 9.464 -2.967 1.00 . A A . 2 ARG HH22 1 1 19 3789 1 1 2 ARG N N 3.010 2.888 -0.403 1.00 . A A . 2 ARG N 1 1 19 3790 1 1 2 ARG NE N 5.875 7.212 -0.765 1.00 . A A . 2 ARG NE 1 1 19 3791 1 1 2 ARG NH1 N 7.435 7.215 -2.455 1.00 . A A . 2 ARG NH1 1 1 19 3792 1 1 2 ARG NH2 N 6.034 9.013 -2.187 1.00 . A A . 2 ARG NH2 1 1 19 3793 1 1 2 ARG O O 4.725 1.795 1.481 1.00 . A A . 2 ARG O 1 1 19 3794 1 1 3 CYS C C 8.821 2.512 1.235 1.00 . A A . 3 CYS C 1 1 19 3795 1 1 3 CYS CA C 7.473 1.808 1.116 1.00 . A A . 3 CYS CA 1 1 19 3796 1 1 3 CYS CB C 7.646 0.469 0.396 1.00 . A A . 3 CYS CB 1 1 19 3797 1 1 3 CYS H H 6.835 3.278 -0.268 1.00 . A A . 3 CYS H 1 1 19 3798 1 1 3 CYS HA H 7.087 1.626 2.107 1.00 . A A . 3 CYS HA 1 1 19 3799 1 1 3 CYS HB2 H 7.606 0.635 -0.671 1.00 . A A . 3 CYS HB2 1 1 19 3800 1 1 3 CYS HB3 H 8.608 0.052 0.654 1.00 . A A . 3 CYS HB3 1 1 19 3801 1 1 3 CYS N N 6.511 2.643 0.406 1.00 . A A . 3 CYS N 1 1 19 3802 1 1 3 CYS O O 9.164 3.364 0.414 1.00 . A A . 3 CYS O 1 1 19 3803 1 1 3 CYS SG S 6.374 -0.768 0.810 1.00 . A A . 3 CYS SG 1 1 19 3804 1 1 4 THR C C 11.982 1.985 1.743 1.00 . A A . 4 THR C 1 1 19 3805 1 1 4 THR CA C 10.893 2.747 2.490 1.00 . A A . 4 THR CA 1 1 19 3806 1 1 4 THR CB C 11.242 2.781 3.990 1.00 . A A . 4 THR CB 1 1 19 3807 1 1 4 THR CG2 C 10.175 3.525 4.777 1.00 . A A . 4 THR CG2 1 1 19 3808 1 1 4 THR H H 9.254 1.466 2.882 1.00 . A A . 4 THR H 1 1 19 3809 1 1 4 THR HA H 10.864 3.764 2.125 1.00 . A A . 4 THR HA 1 1 19 3810 1 1 4 THR HB H 12.184 3.295 4.113 1.00 . A A . 4 THR HB 1 1 19 3811 1 1 4 THR HG1 H 12.237 1.101 4.271 1.00 . A A . 4 THR HG1 1 1 19 3812 1 1 4 THR HG21 H 10.391 3.455 5.833 1.00 . A A . 4 THR HG21 1 1 19 3813 1 1 4 THR HG22 H 9.208 3.087 4.577 1.00 . A A . 4 THR HG22 1 1 19 3814 1 1 4 THR HG23 H 10.168 4.563 4.480 1.00 . A A . 4 THR HG23 1 1 19 3815 1 1 4 THR N N 9.583 2.150 2.262 1.00 . A A . 4 THR N 1 1 19 3816 1 1 4 THR O O 12.031 0.756 1.786 1.00 . A A . 4 THR O 1 1 19 3817 1 1 4 THR OG1 O 11.369 1.446 4.493 1.00 . A A . 4 THR OG1 1 1 19 3818 1 1 5 GLN C C 15.173 1.923 1.183 1.00 . A A . 5 GLN C 1 1 19 3819 1 1 5 GLN CA C 13.940 2.113 0.305 1.00 . A A . 5 GLN CA 1 1 19 3820 1 1 5 GLN CB C 14.292 2.976 -0.908 1.00 . A A . 5 GLN CB 1 1 19 3821 1 1 5 GLN CD C 13.940 1.334 -2.795 1.00 . A A . 5 GLN CD 1 1 19 3822 1 1 5 GLN CG C 14.935 2.197 -2.044 1.00 . A A . 5 GLN CG 1 1 19 3823 1 1 5 GLN H H 12.760 3.697 1.066 1.00 . A A . 5 GLN H 1 1 19 3824 1 1 5 GLN HA H 13.605 1.146 -0.038 1.00 . A A . 5 GLN HA 1 1 19 3825 1 1 5 GLN HB2 H 13.389 3.436 -1.281 1.00 . A A . 5 GLN HB2 1 1 19 3826 1 1 5 GLN HB3 H 14.979 3.750 -0.597 1.00 . A A . 5 GLN HB3 1 1 19 3827 1 1 5 GLN HE21 H 12.847 2.935 -3.237 1.00 . A A . 5 GLN HE21 1 1 19 3828 1 1 5 GLN HE22 H 12.250 1.429 -3.837 1.00 . A A . 5 GLN HE22 1 1 19 3829 1 1 5 GLN HG2 H 15.378 2.895 -2.738 1.00 . A A . 5 GLN HG2 1 1 19 3830 1 1 5 GLN HG3 H 15.705 1.560 -1.635 1.00 . A A . 5 GLN HG3 1 1 19 3831 1 1 5 GLN N N 12.852 2.722 1.061 1.00 . A A . 5 GLN N 1 1 19 3832 1 1 5 GLN NE2 N 12.908 1.962 -3.345 1.00 . A A . 5 GLN NE2 1 1 19 3833 1 1 5 GLN O O 15.884 0.926 1.063 1.00 . A A . 5 GLN O 1 1 19 3834 1 1 5 GLN OE1 O 14.098 0.116 -2.881 1.00 . A A . 5 GLN OE1 1 1 19 3835 1 1 6 ALA C C 16.203 2.119 4.267 1.00 . A A . 6 ALA C 1 1 19 3836 1 1 6 ALA CA C 16.565 2.823 2.964 1.00 . A A . 6 ALA CA 1 1 19 3837 1 1 6 ALA CB C 17.092 4.222 3.246 1.00 . A A . 6 ALA CB 1 1 19 3838 1 1 6 ALA H H 14.816 3.656 2.113 1.00 . A A . 6 ALA H 1 1 19 3839 1 1 6 ALA HA H 17.347 2.264 2.470 1.00 . A A . 6 ALA HA 1 1 19 3840 1 1 6 ALA HB1 H 17.971 4.156 3.870 1.00 . A A . 6 ALA HB1 1 1 19 3841 1 1 6 ALA HB2 H 17.346 4.706 2.315 1.00 . A A . 6 ALA HB2 1 1 19 3842 1 1 6 ALA HB3 H 16.332 4.797 3.755 1.00 . A A . 6 ALA HB3 1 1 19 3843 1 1 6 ALA N N 15.420 2.886 2.065 1.00 . A A . 6 ALA N 1 1 19 3844 1 1 6 ALA O O 15.156 2.386 4.857 1.00 . A A . 6 ALA O 1 1 19 3845 1 1 7 TRP C C 16.521 1.422 7.096 1.00 . A A . 7 TRP C 1 1 19 3846 1 1 7 TRP CA C 16.844 0.477 5.944 1.00 . A A . 7 TRP CA 1 1 19 3847 1 1 7 TRP CB C 18.071 -0.368 6.290 1.00 . A A . 7 TRP CB 1 1 19 3848 1 1 7 TRP CD1 C 20.178 0.585 5.188 1.00 . A A . 7 TRP CD1 1 1 19 3849 1 1 7 TRP CD2 C 19.958 1.104 7.355 1.00 . A A . 7 TRP CD2 1 1 19 3850 1 1 7 TRP CE2 C 21.148 1.684 6.873 1.00 . A A . 7 TRP CE2 1 1 19 3851 1 1 7 TRP CE3 C 19.610 1.297 8.695 1.00 . A A . 7 TRP CE3 1 1 19 3852 1 1 7 TRP CG C 19.353 0.406 6.261 1.00 . A A . 7 TRP CG 1 1 19 3853 1 1 7 TRP CH2 C 21.623 2.614 8.991 1.00 . A A . 7 TRP CH2 1 1 19 3854 1 1 7 TRP CZ2 C 21.988 2.441 7.684 1.00 . A A . 7 TRP CZ2 1 1 19 3855 1 1 7 TRP CZ3 C 20.445 2.049 9.499 1.00 . A A . 7 TRP CZ3 1 1 19 3856 1 1 7 TRP H H 17.891 1.051 4.196 1.00 . A A . 7 TRP H 1 1 19 3857 1 1 7 TRP HA H 16.000 -0.178 5.783 1.00 . A A . 7 TRP HA 1 1 19 3858 1 1 7 TRP HB2 H 17.950 -0.777 7.283 1.00 . A A . 7 TRP HB2 1 1 19 3859 1 1 7 TRP HB3 H 18.153 -1.178 5.580 1.00 . A A . 7 TRP HB3 1 1 19 3860 1 1 7 TRP HD1 H 19.996 0.176 4.206 1.00 . A A . 7 TRP HD1 1 1 19 3861 1 1 7 TRP HE1 H 21.991 1.620 4.953 1.00 . A A . 7 TRP HE1 1 1 19 3862 1 1 7 TRP HE3 H 18.706 0.869 9.104 1.00 . A A . 7 TRP HE3 1 1 19 3863 1 1 7 TRP HH2 H 22.245 3.194 9.655 1.00 . A A . 7 TRP HH2 1 1 19 3864 1 1 7 TRP HZ2 H 22.899 2.884 7.308 1.00 . A A . 7 TRP HZ2 1 1 19 3865 1 1 7 TRP HZ3 H 20.193 2.208 10.537 1.00 . A A . 7 TRP HZ3 1 1 19 3866 1 1 7 TRP N N 17.074 1.220 4.710 1.00 . A A . 7 TRP N 1 1 19 3867 1 1 7 TRP NE1 N 21.260 1.352 5.549 1.00 . A A . 7 TRP NE1 1 1 19 3868 1 1 7 TRP O O 16.882 2.599 7.085 1.00 . A A . 7 TRP O 1 1 19 3869 1 1 8 PRO C C 14.293 -0.786 7.117 1.00 . A A . 8 PRO C 1 1 19 3870 1 1 8 PRO CA C 15.388 -0.502 8.139 1.00 . A A . 8 PRO CA 1 1 19 3871 1 1 8 PRO CB C 14.852 -0.682 9.562 1.00 . A A . 8 PRO CB 1 1 19 3872 1 1 8 PRO CD C 15.408 1.631 9.323 1.00 . A A . 8 PRO CD 1 1 19 3873 1 1 8 PRO CG C 14.446 0.686 9.990 1.00 . A A . 8 PRO CG 1 1 19 3874 1 1 8 PRO HA H 16.215 -1.178 7.977 1.00 . A A . 8 PRO HA 1 1 19 3875 1 1 8 PRO HB2 H 14.009 -1.358 9.548 1.00 . A A . 8 PRO HB2 1 1 19 3876 1 1 8 PRO HB3 H 15.629 -1.080 10.196 1.00 . A A . 8 PRO HB3 1 1 19 3877 1 1 8 PRO HD2 H 14.911 2.553 9.062 1.00 . A A . 8 PRO HD2 1 1 19 3878 1 1 8 PRO HD3 H 16.254 1.824 9.966 1.00 . A A . 8 PRO HD3 1 1 19 3879 1 1 8 PRO HG2 H 13.437 0.888 9.666 1.00 . A A . 8 PRO HG2 1 1 19 3880 1 1 8 PRO HG3 H 14.521 0.772 11.064 1.00 . A A . 8 PRO HG3 1 1 19 3881 1 1 8 PRO N N 15.824 0.898 8.115 1.00 . A A . 8 PRO N 1 1 19 3882 1 1 8 PRO O O 13.700 0.125 6.538 1.00 . A A . 8 PRO O 1 1 19 3883 1 1 9 PRO C C 11.580 -2.194 6.418 1.00 . A A . 9 PRO C 1 1 19 3884 1 1 9 PRO CA C 12.991 -2.511 5.934 1.00 . A A . 9 PRO CA 1 1 19 3885 1 1 9 PRO CB C 13.201 -4.025 5.851 1.00 . A A . 9 PRO CB 1 1 19 3886 1 1 9 PRO CD C 14.685 -3.216 7.541 1.00 . A A . 9 PRO CD 1 1 19 3887 1 1 9 PRO CG C 13.834 -4.392 7.149 1.00 . A A . 9 PRO CG 1 1 19 3888 1 1 9 PRO HA H 13.144 -2.071 4.960 1.00 . A A . 9 PRO HA 1 1 19 3889 1 1 9 PRO HB2 H 12.246 -4.517 5.724 1.00 . A A . 9 PRO HB2 1 1 19 3890 1 1 9 PRO HB3 H 13.846 -4.258 5.018 1.00 . A A . 9 PRO HB3 1 1 19 3891 1 1 9 PRO HD2 H 14.691 -3.095 8.614 1.00 . A A . 9 PRO HD2 1 1 19 3892 1 1 9 PRO HD3 H 15.692 -3.337 7.168 1.00 . A A . 9 PRO HD3 1 1 19 3893 1 1 9 PRO HG2 H 13.072 -4.567 7.893 1.00 . A A . 9 PRO HG2 1 1 19 3894 1 1 9 PRO HG3 H 14.447 -5.272 7.022 1.00 . A A . 9 PRO HG3 1 1 19 3895 1 1 9 PRO N N 14.017 -2.078 6.887 1.00 . A A . 9 PRO N 1 1 19 3896 1 1 9 PRO O O 10.985 -2.965 7.172 1.00 . A A . 9 PRO O 1 1 19 3897 1 1 10 ILE C C 8.790 -0.549 5.155 1.00 . A A . 10 ILE C 1 1 19 3898 1 1 10 ILE CA C 9.709 -0.640 6.368 1.00 . A A . 10 ILE CA 1 1 19 3899 1 1 10 ILE CB C 9.728 0.722 7.087 1.00 . A A . 10 ILE CB 1 1 19 3900 1 1 10 ILE CD1 C 10.947 2.058 8.878 1.00 . A A . 10 ILE CD1 1 1 19 3901 1 1 10 ILE CG1 C 10.748 0.706 8.227 1.00 . A A . 10 ILE CG1 1 1 19 3902 1 1 10 ILE CG2 C 8.342 1.062 7.613 1.00 . A A . 10 ILE CG2 1 1 19 3903 1 1 10 ILE H H 11.575 -0.485 5.382 1.00 . A A . 10 ILE H 1 1 19 3904 1 1 10 ILE HA H 9.315 -1.380 7.050 1.00 . A A . 10 ILE HA 1 1 19 3905 1 1 10 ILE HB H 10.011 1.478 6.371 1.00 . A A . 10 ILE HB 1 1 19 3906 1 1 10 ILE HD11 H 10.058 2.327 9.429 1.00 . A A . 10 ILE HD11 1 1 19 3907 1 1 10 ILE HD12 H 11.790 2.013 9.551 1.00 . A A . 10 ILE HD12 1 1 19 3908 1 1 10 ILE HD13 H 11.135 2.800 8.115 1.00 . A A . 10 ILE HD13 1 1 19 3909 1 1 10 ILE HG12 H 10.418 0.018 8.989 1.00 . A A . 10 ILE HG12 1 1 19 3910 1 1 10 ILE HG13 H 11.703 0.379 7.842 1.00 . A A . 10 ILE HG13 1 1 19 3911 1 1 10 ILE HG21 H 7.764 0.156 7.717 1.00 . A A . 10 ILE HG21 1 1 19 3912 1 1 10 ILE HG22 H 8.431 1.544 8.575 1.00 . A A . 10 ILE HG22 1 1 19 3913 1 1 10 ILE HG23 H 7.847 1.727 6.922 1.00 . A A . 10 ILE HG23 1 1 19 3914 1 1 10 ILE N N 11.051 -1.057 5.980 1.00 . A A . 10 ILE N 1 1 19 3915 1 1 10 ILE O O 9.235 -0.254 4.045 1.00 . A A . 10 ILE O 1 1 19 3916 1 1 11 CYS C C 5.152 -0.333 4.835 1.00 . A A . 11 CYS C 1 1 19 3917 1 1 11 CYS CA C 6.520 -0.749 4.299 1.00 . A A . 11 CYS CA 1 1 19 3918 1 1 11 CYS CB C 6.416 -2.108 3.605 1.00 . A A . 11 CYS CB 1 1 19 3919 1 1 11 CYS H H 7.209 -1.033 6.280 1.00 . A A . 11 CYS H 1 1 19 3920 1 1 11 CYS HA H 6.851 -0.013 3.583 1.00 . A A . 11 CYS HA 1 1 19 3921 1 1 11 CYS HB2 H 6.885 -2.858 4.226 1.00 . A A . 11 CYS HB2 1 1 19 3922 1 1 11 CYS HB3 H 5.374 -2.358 3.474 1.00 . A A . 11 CYS HB3 1 1 19 3923 1 1 11 CYS N N 7.504 -0.803 5.373 1.00 . A A . 11 CYS N 1 1 19 3924 1 1 11 CYS O O 4.667 -0.884 5.823 1.00 . A A . 11 CYS O 1 1 19 3925 1 1 11 CYS SG S 7.213 -2.169 1.968 1.00 . A A . 11 CYS SG 1 1 19 3926 1 1 12 PHE C C 2.114 0.268 3.996 1.00 . A A . 12 PHE C 1 1 19 3927 1 1 12 PHE CA C 3.225 1.132 4.584 1.00 . A A . 12 PHE CA 1 1 19 3928 1 1 12 PHE CB C 3.042 2.587 4.146 1.00 . A A . 12 PHE CB 1 1 19 3929 1 1 12 PHE CD1 C 2.571 4.403 5.812 1.00 . A A . 12 PHE CD1 1 1 19 3930 1 1 12 PHE CD2 C 4.830 3.702 5.509 1.00 . A A . 12 PHE CD2 1 1 19 3931 1 1 12 PHE CE1 C 2.980 5.322 6.761 1.00 . A A . 12 PHE CE1 1 1 19 3932 1 1 12 PHE CE2 C 5.244 4.618 6.457 1.00 . A A . 12 PHE CE2 1 1 19 3933 1 1 12 PHE CG C 3.490 3.584 5.176 1.00 . A A . 12 PHE CG 1 1 19 3934 1 1 12 PHE CZ C 4.318 5.430 7.083 1.00 . A A . 12 PHE CZ 1 1 19 3935 1 1 12 PHE H H 4.974 1.042 3.394 1.00 . A A . 12 PHE H 1 1 19 3936 1 1 12 PHE HA H 3.174 1.080 5.661 1.00 . A A . 12 PHE HA 1 1 19 3937 1 1 12 PHE HB2 H 3.614 2.760 3.247 1.00 . A A . 12 PHE HB2 1 1 19 3938 1 1 12 PHE HB3 H 1.997 2.765 3.943 1.00 . A A . 12 PHE HB3 1 1 19 3939 1 1 12 PHE HD1 H 1.523 4.320 5.560 1.00 . A A . 12 PHE HD1 1 1 19 3940 1 1 12 PHE HD2 H 5.555 3.069 5.020 1.00 . A A . 12 PHE HD2 1 1 19 3941 1 1 12 PHE HE1 H 2.253 5.955 7.248 1.00 . A A . 12 PHE HE1 1 1 19 3942 1 1 12 PHE HE2 H 6.292 4.701 6.707 1.00 . A A . 12 PHE HE2 1 1 19 3943 1 1 12 PHE HZ H 4.640 6.146 7.824 1.00 . A A . 12 PHE HZ 1 1 19 3944 1 1 12 PHE N N 4.536 0.642 4.175 1.00 . A A . 12 PHE N 1 1 19 3945 1 1 12 PHE O O 2.309 -0.463 3.025 1.00 . A A . 12 PHE O 1 1 19 3946 1 1 13 PRO C C -0.782 0.072 2.808 1.00 . A A . 13 PRO C 1 1 19 3947 1 1 13 PRO CA C -0.249 -0.413 4.151 1.00 . A A . 13 PRO CA 1 1 19 3948 1 1 13 PRO CB C -1.280 -0.166 5.256 1.00 . A A . 13 PRO CB 1 1 19 3949 1 1 13 PRO CD C 0.613 1.204 5.760 1.00 . A A . 13 PRO CD 1 1 19 3950 1 1 13 PRO CG C -0.886 1.140 5.856 1.00 . A A . 13 PRO CG 1 1 19 3951 1 1 13 PRO HA H -0.031 -1.470 4.091 1.00 . A A . 13 PRO HA 1 1 19 3952 1 1 13 PRO HB2 H -2.270 -0.121 4.825 1.00 . A A . 13 PRO HB2 1 1 19 3953 1 1 13 PRO HB3 H -1.233 -0.964 5.982 1.00 . A A . 13 PRO HB3 1 1 19 3954 1 1 13 PRO HD2 H 0.937 2.220 5.590 1.00 . A A . 13 PRO HD2 1 1 19 3955 1 1 13 PRO HD3 H 1.066 0.807 6.657 1.00 . A A . 13 PRO HD3 1 1 19 3956 1 1 13 PRO HG2 H -1.333 1.949 5.298 1.00 . A A . 13 PRO HG2 1 1 19 3957 1 1 13 PRO HG3 H -1.197 1.177 6.889 1.00 . A A . 13 PRO HG3 1 1 19 3958 1 1 13 PRO N N 0.918 0.353 4.598 1.00 . A A . 13 PRO N 1 1 19 3959 1 1 13 PRO O O -1.294 -0.716 2.011 1.00 . A A . 13 PRO O 1 1 19 3960 1 1 14 ASP C C -0.564 1.207 0.112 1.00 . A A . 14 ASP C 1 1 19 3961 1 1 14 ASP CA C -1.126 1.961 1.313 1.00 . A A . 14 ASP CA 1 1 19 3962 1 1 14 ASP CB C -0.725 3.435 1.238 1.00 . A A . 14 ASP CB 1 1 19 3963 1 1 14 ASP CG C -0.797 3.984 -0.173 1.00 . A A . 14 ASP CG 1 1 19 3964 1 1 14 ASP H H -0.241 1.948 3.236 1.00 . A A . 14 ASP H 1 1 19 3965 1 1 14 ASP HA H -2.203 1.889 1.295 1.00 . A A . 14 ASP HA 1 1 19 3966 1 1 14 ASP HB2 H -1.389 4.014 1.864 1.00 . A A . 14 ASP HB2 1 1 19 3967 1 1 14 ASP HB3 H 0.288 3.545 1.597 1.00 . A A . 14 ASP HB3 1 1 19 3968 1 1 14 ASP N N -0.658 1.371 2.562 1.00 . A A . 14 ASP N 1 1 19 3969 1 1 14 ASP O O -1.312 0.621 -0.672 1.00 . A A . 14 ASP O 1 1 19 3970 1 1 14 ASP OD1 O 0.241 3.976 -0.867 1.00 . A A . 14 ASP OD1 1 1 19 3971 1 1 14 ASP OD2 O -1.892 4.422 -0.584 1.00 . A A . 14 ASP OD2 1 1 20 3972 1 1 1 GLY C C 3.300 0.288 -0.059 1.00 . A A . 1 GLY C 1 1 20 3973 1 1 1 GLY CA C 1.856 -0.085 0.211 1.00 . A A . 1 GLY CA 1 1 20 3974 1 1 1 GLY H1 H 1.559 1.610 1.445 1.00 . A A . 1 GLY H1 1 1 20 3975 1 1 1 GLY HA2 H 1.833 -0.943 0.866 1.00 . A A . 1 GLY HA2 1 1 20 3976 1 1 1 GLY HA3 H 1.383 -0.346 -0.724 1.00 . A A . 1 GLY HA3 1 1 20 3977 1 1 1 GLY N N 1.109 0.996 0.828 1.00 . A A . 1 GLY N 1 1 20 3978 1 1 1 GLY O O 4.188 -0.564 -0.011 1.00 . A A . 1 GLY O 1 1 20 3979 1 1 2 ARG C C 5.851 1.636 0.478 1.00 . A A . 2 ARG C 1 1 20 3980 1 1 2 ARG CA C 4.883 2.047 -0.627 1.00 . A A . 2 ARG CA 1 1 20 3981 1 1 2 ARG CB C 4.880 3.569 -0.777 1.00 . A A . 2 ARG CB 1 1 20 3982 1 1 2 ARG CD C 3.316 4.224 -2.632 1.00 . A A . 2 ARG CD 1 1 20 3983 1 1 2 ARG CG C 4.768 4.039 -2.219 1.00 . A A . 2 ARG CG 1 1 20 3984 1 1 2 ARG CZ C 2.049 5.051 -4.570 1.00 . A A . 2 ARG CZ 1 1 20 3985 1 1 2 ARG H H 2.787 2.196 -0.369 1.00 . A A . 2 ARG H 1 1 20 3986 1 1 2 ARG HA H 5.207 1.603 -1.557 1.00 . A A . 2 ARG HA 1 1 20 3987 1 1 2 ARG HB2 H 4.045 3.973 -0.224 1.00 . A A . 2 ARG HB2 1 1 20 3988 1 1 2 ARG HB3 H 5.798 3.961 -0.365 1.00 . A A . 2 ARG HB3 1 1 20 3989 1 1 2 ARG HD2 H 2.801 3.282 -2.519 1.00 . A A . 2 ARG HD2 1 1 20 3990 1 1 2 ARG HD3 H 2.864 4.962 -1.987 1.00 . A A . 2 ARG HD3 1 1 20 3991 1 1 2 ARG HE H 4.008 4.677 -4.565 1.00 . A A . 2 ARG HE 1 1 20 3992 1 1 2 ARG HG2 H 5.283 4.983 -2.321 1.00 . A A . 2 ARG HG2 1 1 20 3993 1 1 2 ARG HG3 H 5.226 3.304 -2.863 1.00 . A A . 2 ARG HG3 1 1 20 3994 1 1 2 ARG HH11 H 0.952 4.756 -2.899 1.00 . A A . 2 ARG HH11 1 1 20 3995 1 1 2 ARG HH12 H 0.070 5.338 -4.272 1.00 . A A . 2 ARG HH12 1 1 20 3996 1 1 2 ARG HH21 H 2.858 5.445 -6.380 1.00 . A A . 2 ARG HH21 1 1 20 3997 1 1 2 ARG HH22 H 1.156 5.729 -6.252 1.00 . A A . 2 ARG HH22 1 1 20 3998 1 1 2 ARG N N 3.536 1.564 -0.345 1.00 . A A . 2 ARG N 1 1 20 3999 1 1 2 ARG NE N 3.195 4.667 -4.019 1.00 . A A . 2 ARG NE 1 1 20 4000 1 1 2 ARG NH1 N 0.932 5.047 -3.855 1.00 . A A . 2 ARG NH1 1 1 20 4001 1 1 2 ARG NH2 N 2.018 5.440 -5.838 1.00 . A A . 2 ARG NH2 1 1 20 4002 1 1 2 ARG O O 5.446 1.404 1.618 1.00 . A A . 2 ARG O 1 1 20 4003 1 1 3 CYS C C 9.279 2.195 1.136 1.00 . A A . 3 CYS C 1 1 20 4004 1 1 3 CYS CA C 8.157 1.162 1.096 1.00 . A A . 3 CYS CA 1 1 20 4005 1 1 3 CYS CB C 8.727 -0.213 0.742 1.00 . A A . 3 CYS CB 1 1 20 4006 1 1 3 CYS H H 7.392 1.743 -0.791 1.00 . A A . 3 CYS H 1 1 20 4007 1 1 3 CYS HA H 7.696 1.111 2.070 1.00 . A A . 3 CYS HA 1 1 20 4008 1 1 3 CYS HB2 H 8.122 -0.656 -0.035 1.00 . A A . 3 CYS HB2 1 1 20 4009 1 1 3 CYS HB3 H 9.738 -0.093 0.381 1.00 . A A . 3 CYS HB3 1 1 20 4010 1 1 3 CYS N N 7.131 1.546 0.134 1.00 . A A . 3 CYS N 1 1 20 4011 1 1 3 CYS O O 9.337 3.099 0.301 1.00 . A A . 3 CYS O 1 1 20 4012 1 1 3 CYS SG S 8.772 -1.381 2.140 1.00 . A A . 3 CYS SG 1 1 20 4013 1 1 4 THR C C 12.488 2.524 1.438 1.00 . A A . 4 THR C 1 1 20 4014 1 1 4 THR CA C 11.289 2.977 2.263 1.00 . A A . 4 THR CA 1 1 20 4015 1 1 4 THR CB C 11.715 3.107 3.738 1.00 . A A . 4 THR CB 1 1 20 4016 1 1 4 THR CG2 C 10.906 4.185 4.442 1.00 . A A . 4 THR CG2 1 1 20 4017 1 1 4 THR H H 10.069 1.316 2.748 1.00 . A A . 4 THR H 1 1 20 4018 1 1 4 THR HA H 10.971 3.949 1.915 1.00 . A A . 4 THR HA 1 1 20 4019 1 1 4 THR HB H 12.760 3.381 3.772 1.00 . A A . 4 THR HB 1 1 20 4020 1 1 4 THR HG1 H 12.078 1.184 3.985 1.00 . A A . 4 THR HG1 1 1 20 4021 1 1 4 THR HG21 H 9.869 3.889 4.482 1.00 . A A . 4 THR HG21 1 1 20 4022 1 1 4 THR HG22 H 10.995 5.114 3.898 1.00 . A A . 4 THR HG22 1 1 20 4023 1 1 4 THR HG23 H 11.281 4.318 5.446 1.00 . A A . 4 THR HG23 1 1 20 4024 1 1 4 THR N N 10.170 2.056 2.113 1.00 . A A . 4 THR N 1 1 20 4025 1 1 4 THR O O 12.506 1.412 0.911 1.00 . A A . 4 THR O 1 1 20 4026 1 1 4 THR OG1 O 11.539 1.855 4.411 1.00 . A A . 4 THR OG1 1 1 20 4027 1 1 5 GLN C C 15.851 2.735 1.497 1.00 . A A . 5 GLN C 1 1 20 4028 1 1 5 GLN CA C 14.692 3.080 0.568 1.00 . A A . 5 GLN CA 1 1 20 4029 1 1 5 GLN CB C 15.074 4.260 -0.328 1.00 . A A . 5 GLN CB 1 1 20 4030 1 1 5 GLN CD C 15.511 6.746 -0.433 1.00 . A A . 5 GLN CD 1 1 20 4031 1 1 5 GLN CG C 15.455 5.512 0.446 1.00 . A A . 5 GLN CG 1 1 20 4032 1 1 5 GLN H H 13.415 4.263 1.772 1.00 . A A . 5 GLN H 1 1 20 4033 1 1 5 GLN HA H 14.477 2.224 -0.053 1.00 . A A . 5 GLN HA 1 1 20 4034 1 1 5 GLN HB2 H 15.914 3.973 -0.942 1.00 . A A . 5 GLN HB2 1 1 20 4035 1 1 5 GLN HB3 H 14.236 4.499 -0.966 1.00 . A A . 5 GLN HB3 1 1 20 4036 1 1 5 GLN HE21 H 14.215 7.679 0.752 1.00 . A A . 5 GLN HE21 1 1 20 4037 1 1 5 GLN HE22 H 14.775 8.584 -0.609 1.00 . A A . 5 GLN HE22 1 1 20 4038 1 1 5 GLN HG2 H 14.724 5.676 1.223 1.00 . A A . 5 GLN HG2 1 1 20 4039 1 1 5 GLN HG3 H 16.426 5.362 0.893 1.00 . A A . 5 GLN HG3 1 1 20 4040 1 1 5 GLN N N 13.488 3.392 1.330 1.00 . A A . 5 GLN N 1 1 20 4041 1 1 5 GLN NE2 N 14.757 7.774 -0.060 1.00 . A A . 5 GLN NE2 1 1 20 4042 1 1 5 GLN O O 16.676 1.878 1.184 1.00 . A A . 5 GLN O 1 1 20 4043 1 1 5 GLN OE1 O 16.225 6.776 -1.436 1.00 . A A . 5 GLN OE1 1 1 20 4044 1 1 6 ALA C C 16.495 2.224 4.714 1.00 . A A . 6 ALA C 1 1 20 4045 1 1 6 ALA CA C 16.963 3.173 3.616 1.00 . A A . 6 ALA CA 1 1 20 4046 1 1 6 ALA CB C 17.430 4.490 4.218 1.00 . A A . 6 ALA CB 1 1 20 4047 1 1 6 ALA H H 15.219 4.081 2.834 1.00 . A A . 6 ALA H 1 1 20 4048 1 1 6 ALA HA H 17.800 2.725 3.100 1.00 . A A . 6 ALA HA 1 1 20 4049 1 1 6 ALA HB1 H 17.178 5.300 3.549 1.00 . A A . 6 ALA HB1 1 1 20 4050 1 1 6 ALA HB2 H 16.943 4.644 5.170 1.00 . A A . 6 ALA HB2 1 1 20 4051 1 1 6 ALA HB3 H 18.500 4.461 4.362 1.00 . A A . 6 ALA HB3 1 1 20 4052 1 1 6 ALA N N 15.906 3.410 2.641 1.00 . A A . 6 ALA N 1 1 20 4053 1 1 6 ALA O O 15.378 1.708 4.666 1.00 . A A . 6 ALA O 1 1 20 4054 1 1 7 TRP C C 16.717 1.907 8.073 1.00 . A A . 7 TRP C 1 1 20 4055 1 1 7 TRP CA C 17.028 1.110 6.811 1.00 . A A . 7 TRP CA 1 1 20 4056 1 1 7 TRP CB C 18.183 0.143 7.074 1.00 . A A . 7 TRP CB 1 1 20 4057 1 1 7 TRP CD1 C 17.118 -1.570 5.493 1.00 . A A . 7 TRP CD1 1 1 20 4058 1 1 7 TRP CD2 C 19.321 -1.841 5.796 1.00 . A A . 7 TRP CD2 1 1 20 4059 1 1 7 TRP CE2 C 18.862 -2.838 4.913 1.00 . A A . 7 TRP CE2 1 1 20 4060 1 1 7 TRP CE3 C 20.676 -1.811 6.132 1.00 . A A . 7 TRP CE3 1 1 20 4061 1 1 7 TRP CG C 18.189 -1.040 6.154 1.00 . A A . 7 TRP CG 1 1 20 4062 1 1 7 TRP CH2 C 21.034 -3.743 4.713 1.00 . A A . 7 TRP CH2 1 1 20 4063 1 1 7 TRP CZ2 C 19.712 -3.796 4.366 1.00 . A A . 7 TRP CZ2 1 1 20 4064 1 1 7 TRP CZ3 C 21.519 -2.762 5.589 1.00 . A A . 7 TRP CZ3 1 1 20 4065 1 1 7 TRP H H 18.230 2.439 5.683 1.00 . A A . 7 TRP H 1 1 20 4066 1 1 7 TRP HA H 16.152 0.543 6.533 1.00 . A A . 7 TRP HA 1 1 20 4067 1 1 7 TRP HB2 H 19.119 0.668 6.949 1.00 . A A . 7 TRP HB2 1 1 20 4068 1 1 7 TRP HB3 H 18.113 -0.222 8.088 1.00 . A A . 7 TRP HB3 1 1 20 4069 1 1 7 TRP HD1 H 16.112 -1.185 5.560 1.00 . A A . 7 TRP HD1 1 1 20 4070 1 1 7 TRP HE1 H 16.929 -3.200 4.182 1.00 . A A . 7 TRP HE1 1 1 20 4071 1 1 7 TRP HE3 H 21.069 -1.063 6.806 1.00 . A A . 7 TRP HE3 1 1 20 4072 1 1 7 TRP HH2 H 21.728 -4.466 4.313 1.00 . A A . 7 TRP HH2 1 1 20 4073 1 1 7 TRP HZ2 H 19.354 -4.558 3.689 1.00 . A A . 7 TRP HZ2 1 1 20 4074 1 1 7 TRP HZ3 H 22.570 -2.756 5.838 1.00 . A A . 7 TRP HZ3 1 1 20 4075 1 1 7 TRP N N 17.354 1.998 5.701 1.00 . A A . 7 TRP N 1 1 20 4076 1 1 7 TRP NE1 N 17.515 -2.652 4.746 1.00 . A A . 7 TRP NE1 1 1 20 4077 1 1 7 TRP O O 17.110 3.065 8.216 1.00 . A A . 7 TRP O 1 1 20 4078 1 1 8 PRO C C 14.432 -0.222 7.793 1.00 . A A . 8 PRO C 1 1 20 4079 1 1 8 PRO CA C 15.524 -0.103 8.851 1.00 . A A . 8 PRO CA 1 1 20 4080 1 1 8 PRO CB C 14.968 -0.450 10.235 1.00 . A A . 8 PRO CB 1 1 20 4081 1 1 8 PRO CD C 15.588 1.858 10.300 1.00 . A A . 8 PRO CD 1 1 20 4082 1 1 8 PRO CG C 14.595 0.862 10.833 1.00 . A A . 8 PRO CG 1 1 20 4083 1 1 8 PRO HA H 16.334 -0.775 8.608 1.00 . A A . 8 PRO HA 1 1 20 4084 1 1 8 PRO HB2 H 14.108 -1.096 10.128 1.00 . A A . 8 PRO HB2 1 1 20 4085 1 1 8 PRO HB3 H 15.728 -0.947 10.818 1.00 . A A . 8 PRO HB3 1 1 20 4086 1 1 8 PRO HD2 H 15.118 2.820 10.157 1.00 . A A . 8 PRO HD2 1 1 20 4087 1 1 8 PRO HD3 H 16.432 1.943 10.969 1.00 . A A . 8 PRO HD3 1 1 20 4088 1 1 8 PRO HG2 H 13.594 1.132 10.531 1.00 . A A . 8 PRO HG2 1 1 20 4089 1 1 8 PRO HG3 H 14.661 0.807 11.909 1.00 . A A . 8 PRO HG3 1 1 20 4090 1 1 8 PRO N N 15.997 1.275 9.011 1.00 . A A . 8 PRO N 1 1 20 4091 1 1 8 PRO O O 13.834 0.767 7.370 1.00 . A A . 8 PRO O 1 1 20 4092 1 1 9 PRO C C 11.730 -1.515 6.866 1.00 . A A . 9 PRO C 1 1 20 4093 1 1 9 PRO CA C 13.144 -1.739 6.341 1.00 . A A . 9 PRO CA 1 1 20 4094 1 1 9 PRO CB C 13.363 -3.218 6.011 1.00 . A A . 9 PRO CB 1 1 20 4095 1 1 9 PRO CD C 14.840 -2.687 7.815 1.00 . A A . 9 PRO CD 1 1 20 4096 1 1 9 PRO CG C 13.997 -3.788 7.233 1.00 . A A . 9 PRO CG 1 1 20 4097 1 1 9 PRO HA H 13.295 -1.144 5.452 1.00 . A A . 9 PRO HA 1 1 20 4098 1 1 9 PRO HB2 H 12.412 -3.688 5.802 1.00 . A A . 9 PRO HB2 1 1 20 4099 1 1 9 PRO HB3 H 14.012 -3.307 5.153 1.00 . A A . 9 PRO HB3 1 1 20 4100 1 1 9 PRO HD2 H 14.843 -2.743 8.893 1.00 . A A . 9 PRO HD2 1 1 20 4101 1 1 9 PRO HD3 H 15.848 -2.739 7.429 1.00 . A A . 9 PRO HD3 1 1 20 4102 1 1 9 PRO HG2 H 13.235 -4.088 7.936 1.00 . A A . 9 PRO HG2 1 1 20 4103 1 1 9 PRO HG3 H 14.616 -4.632 6.966 1.00 . A A . 9 PRO HG3 1 1 20 4104 1 1 9 PRO N N 14.165 -1.461 7.354 1.00 . A A . 9 PRO N 1 1 20 4105 1 1 9 PRO O O 11.167 -2.373 7.547 1.00 . A A . 9 PRO O 1 1 20 4106 1 1 10 ILE C C 8.876 0.160 5.794 1.00 . A A . 10 ILE C 1 1 20 4107 1 1 10 ILE CA C 9.812 -0.022 6.984 1.00 . A A . 10 ILE CA 1 1 20 4108 1 1 10 ILE CB C 9.799 1.262 7.834 1.00 . A A . 10 ILE CB 1 1 20 4109 1 1 10 ILE CD1 C 8.295 2.463 9.498 1.00 . A A . 10 ILE CD1 1 1 20 4110 1 1 10 ILE CG1 C 8.369 1.608 8.253 1.00 . A A . 10 ILE CG1 1 1 20 4111 1 1 10 ILE CG2 C 10.425 2.414 7.062 1.00 . A A . 10 ILE CG2 1 1 20 4112 1 1 10 ILE H H 11.660 0.285 6.000 1.00 . A A . 10 ILE H 1 1 20 4113 1 1 10 ILE HA H 9.448 -0.837 7.593 1.00 . A A . 10 ILE HA 1 1 20 4114 1 1 10 ILE HB H 10.394 1.088 8.718 1.00 . A A . 10 ILE HB 1 1 20 4115 1 1 10 ILE HD11 H 8.133 3.494 9.219 1.00 . A A . 10 ILE HD11 1 1 20 4116 1 1 10 ILE HD12 H 7.479 2.126 10.119 1.00 . A A . 10 ILE HD12 1 1 20 4117 1 1 10 ILE HD13 H 9.222 2.382 10.047 1.00 . A A . 10 ILE HD13 1 1 20 4118 1 1 10 ILE HG12 H 7.887 2.146 7.452 1.00 . A A . 10 ILE HG12 1 1 20 4119 1 1 10 ILE HG13 H 7.827 0.694 8.444 1.00 . A A . 10 ILE HG13 1 1 20 4120 1 1 10 ILE HG21 H 11.393 2.114 6.689 1.00 . A A . 10 ILE HG21 1 1 20 4121 1 1 10 ILE HG22 H 9.787 2.679 6.232 1.00 . A A . 10 ILE HG22 1 1 20 4122 1 1 10 ILE HG23 H 10.539 3.266 7.715 1.00 . A A . 10 ILE HG23 1 1 20 4123 1 1 10 ILE N N 11.161 -0.358 6.545 1.00 . A A . 10 ILE N 1 1 20 4124 1 1 10 ILE O O 9.162 0.932 4.878 1.00 . A A . 10 ILE O 1 1 20 4125 1 1 11 CYS C C 5.483 0.174 5.228 1.00 . A A . 11 CYS C 1 1 20 4126 1 1 11 CYS CA C 6.776 -0.472 4.738 1.00 . A A . 11 CYS CA 1 1 20 4127 1 1 11 CYS CB C 6.483 -1.865 4.178 1.00 . A A . 11 CYS CB 1 1 20 4128 1 1 11 CYS H H 7.584 -1.153 6.571 1.00 . A A . 11 CYS H 1 1 20 4129 1 1 11 CYS HA H 7.195 0.141 3.954 1.00 . A A . 11 CYS HA 1 1 20 4130 1 1 11 CYS HB2 H 7.077 -2.592 4.713 1.00 . A A . 11 CYS HB2 1 1 20 4131 1 1 11 CYS HB3 H 5.436 -2.089 4.321 1.00 . A A . 11 CYS HB3 1 1 20 4132 1 1 11 CYS N N 7.756 -0.554 5.814 1.00 . A A . 11 CYS N 1 1 20 4133 1 1 11 CYS O O 4.979 -0.158 6.301 1.00 . A A . 11 CYS O 1 1 20 4134 1 1 11 CYS SG S 6.853 -2.047 2.404 1.00 . A A . 11 CYS SG 1 1 20 4135 1 1 12 PHE C C 2.510 0.880 4.599 1.00 . A A . 12 PHE C 1 1 20 4136 1 1 12 PHE CA C 3.719 1.791 4.787 1.00 . A A . 12 PHE CA 1 1 20 4137 1 1 12 PHE CB C 3.557 3.053 3.937 1.00 . A A . 12 PHE CB 1 1 20 4138 1 1 12 PHE CD1 C 5.142 4.992 3.772 1.00 . A A . 12 PHE CD1 1 1 20 4139 1 1 12 PHE CD2 C 3.963 4.663 5.819 1.00 . A A . 12 PHE CD2 1 1 20 4140 1 1 12 PHE CE1 C 5.767 6.103 4.307 1.00 . A A . 12 PHE CE1 1 1 20 4141 1 1 12 PHE CE2 C 4.584 5.773 6.358 1.00 . A A . 12 PHE CE2 1 1 20 4142 1 1 12 PHE CG C 4.234 4.260 4.521 1.00 . A A . 12 PHE CG 1 1 20 4143 1 1 12 PHE CZ C 5.488 6.494 5.602 1.00 . A A . 12 PHE CZ 1 1 20 4144 1 1 12 PHE H H 5.401 1.320 3.591 1.00 . A A . 12 PHE H 1 1 20 4145 1 1 12 PHE HA H 3.784 2.074 5.826 1.00 . A A . 12 PHE HA 1 1 20 4146 1 1 12 PHE HB2 H 3.979 2.877 2.960 1.00 . A A . 12 PHE HB2 1 1 20 4147 1 1 12 PHE HB3 H 2.506 3.278 3.835 1.00 . A A . 12 PHE HB3 1 1 20 4148 1 1 12 PHE HD1 H 5.361 4.686 2.759 1.00 . A A . 12 PHE HD1 1 1 20 4149 1 1 12 PHE HD2 H 3.258 4.100 6.412 1.00 . A A . 12 PHE HD2 1 1 20 4150 1 1 12 PHE HE1 H 6.473 6.664 3.712 1.00 . A A . 12 PHE HE1 1 1 20 4151 1 1 12 PHE HE2 H 4.365 6.077 7.371 1.00 . A A . 12 PHE HE2 1 1 20 4152 1 1 12 PHE HZ H 5.974 7.362 6.021 1.00 . A A . 12 PHE HZ 1 1 20 4153 1 1 12 PHE N N 4.952 1.098 4.434 1.00 . A A . 12 PHE N 1 1 20 4154 1 1 12 PHE O O 2.562 -0.125 3.889 1.00 . A A . 12 PHE O 1 1 20 4155 1 1 13 PRO C C -0.506 0.559 3.799 1.00 . A A . 13 PRO C 1 1 20 4156 1 1 13 PRO CA C 0.149 0.464 5.173 1.00 . A A . 13 PRO CA 1 1 20 4157 1 1 13 PRO CB C -0.740 1.115 6.235 1.00 . A A . 13 PRO CB 1 1 20 4158 1 1 13 PRO CD C 1.259 2.421 6.116 1.00 . A A . 13 PRO CD 1 1 20 4159 1 1 13 PRO CG C -0.222 2.506 6.362 1.00 . A A . 13 PRO CG 1 1 20 4160 1 1 13 PRO HA H 0.310 -0.574 5.422 1.00 . A A . 13 PRO HA 1 1 20 4161 1 1 13 PRO HB2 H -1.769 1.104 5.903 1.00 . A A . 13 PRO HB2 1 1 20 4162 1 1 13 PRO HB3 H -0.650 0.574 7.165 1.00 . A A . 13 PRO HB3 1 1 20 4163 1 1 13 PRO HD2 H 1.609 3.309 5.610 1.00 . A A . 13 PRO HD2 1 1 20 4164 1 1 13 PRO HD3 H 1.789 2.281 7.046 1.00 . A A . 13 PRO HD3 1 1 20 4165 1 1 13 PRO HG2 H -0.689 3.141 5.625 1.00 . A A . 13 PRO HG2 1 1 20 4166 1 1 13 PRO HG3 H -0.415 2.880 7.357 1.00 . A A . 13 PRO HG3 1 1 20 4167 1 1 13 PRO N N 1.393 1.236 5.251 1.00 . A A . 13 PRO N 1 1 20 4168 1 1 13 PRO O O -1.142 -0.388 3.337 1.00 . A A . 13 PRO O 1 1 20 4169 1 1 14 ASP C C -0.237 1.045 0.787 1.00 . A A . 14 ASP C 1 1 20 4170 1 1 14 ASP CA C -0.921 1.926 1.828 1.00 . A A . 14 ASP CA 1 1 20 4171 1 1 14 ASP CB C -0.796 3.397 1.431 1.00 . A A . 14 ASP CB 1 1 20 4172 1 1 14 ASP CG C 0.644 3.869 1.400 1.00 . A A . 14 ASP CG 1 1 20 4173 1 1 14 ASP H H 0.172 2.426 3.571 1.00 . A A . 14 ASP H 1 1 20 4174 1 1 14 ASP HA H -1.966 1.662 1.873 1.00 . A A . 14 ASP HA 1 1 20 4175 1 1 14 ASP HB2 H -1.221 3.535 0.447 1.00 . A A . 14 ASP HB2 1 1 20 4176 1 1 14 ASP HB3 H -1.340 4.002 2.141 1.00 . A A . 14 ASP HB3 1 1 20 4177 1 1 14 ASP N N -0.346 1.708 3.150 1.00 . A A . 14 ASP N 1 1 20 4178 1 1 14 ASP O O -0.855 0.639 -0.199 1.00 . A A . 14 ASP O 1 1 20 4179 1 1 14 ASP OD1 O 1.307 3.685 0.358 1.00 . A A . 14 ASP OD1 1 1 20 4180 1 1 14 ASP OD2 O 1.108 4.423 2.419 1.00 . A A . 14 ASP OD2 1 1 stop_ save_
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