NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
408139 | 1yt6 | 6511 | cing | 4-filtered-FRED | STAR | entry | full | 60 |
data_FRED_restraints_with_modified_coordinates_PDB_code_1yt6 # This FRED archive file contains, for PDB entry <1yt6>: # # - Coordinates and sequence information from the PDB mmCIF file # - NMR restraints from the PDB MR file # # In this file, the coordinates and NMR restraints share the same atom names, # and in this way can differ from the data deposited at the wwPDB. To achieve # this aim, the NMR restraints were parsed from their original format files, and # the coordinates and NMR restraints information were subsequently harmonized. # # Due to the complexity of this harmonization process and the filtering process # used in creating these files, the NMR restraints information in these files # may differ significantly from that in the originally deposited file. Other # modifications could have occurred to the NMR restraints information, or data # could have been lost because of parsing or conversion errors. The PDB file # remains the authoritative reference for the atomic coordinates and the # originally deposited restraints files remain the primary reference for these # data. # # This file is generated at the BioMagResBank (BMRB) in collaboration with the # PDBe (formerly MSD) group at the European Bioinformatics Institute (EBI) and # the CMBI/IMM group at the Radboud University of Nijmegen. # # Several software packages were used to produce this file: # # - Wattos (BMRB and CMBI/IMM). # - FormatConverter and NMRStarExport (PDBe). # - CCPN framework (http://www.ccpn.ac.uk/). # # More information about this process can be found in the references below. # Please cite the original reference for this PDB entry. # # JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL # Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED # containing converted and filtered sets of experimental NMR restraints and # coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12. # # WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL # Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy: # development of a software pipeline. Proteins 59, 687-696. # # JF Doreleijers, W Vranken, C Penkett, J Lin, CF Schulte, G Vuister, G Vriend, # JL Markley, EL Ulrich. BioMagResBank database `NMR Restraints Grid` with # curated sets of experimental NMR restraints for over 4,000 protein and nucleic # acid PDB entries. (in preparation) save_Conversion_project_for_entry_Name_1 _Study_list.Sf_category study_list _Study_list.Entry_ID 1 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 "Conversion project for entry 1" NMR . 1 1 stop_ save_ save_originalConstraints_1 _Entry.Sf_category entry_information _Entry.ID 1 _Entry.Title "Data for entry 1" _Entry.NMR_STAR_version 3.1.0.8 _Entry.Experimental_method NMR _Entry.Details . save_ save_assembly_1yt6 _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 1yt6 _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "all disulfide bound" _Assembly.Molecular_mass 1045.17 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 $peptide_SD A . 1 1 stop_ save_ save_peptide_SD _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name "peptide SD" _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code ACLPWSDGPC _Entity.Number_of_monomers 10 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 ALA . 1 1 2 CYS . 1 1 3 LEU . 1 1 4 PRO . 1 1 5 TRP . 1 1 6 SER . 1 1 7 ASP . 1 1 8 GLY . 1 1 9 PRO . 1 1 10 CYS . 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 ALA 1 1 1 1 CYS 2 2 1 1 LEU 3 3 1 1 PRO 4 4 1 1 TRP 5 5 1 1 SER 6 6 1 1 ASP 7 7 1 1 GLY 8 8 1 1 PRO 9 9 1 1 CYS 10 10 1 1 stop_ save_ save_CNS/XPLOR_distance_constraints_2_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID . _Distance_constraint_list.Block_ID . loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . 1 1 2 1 . . . 1 1 3 1 . . . 1 1 4 1 . . . 1 1 5 1 . . . 1 1 6 1 . . . 1 1 7 1 . . . 1 1 8 1 . . . 1 1 9 1 . . . 1 1 10 1 . . . 1 1 11 1 . . . 1 1 12 1 . . . 1 1 13 1 . . . 1 1 14 1 . . . 1 1 15 1 . . . 1 1 16 1 . . . 1 1 17 1 . . . 1 1 18 1 . . . 1 1 19 1 . . . 1 1 20 1 . . . 1 1 21 1 . . . 1 1 22 1 . . . 1 1 23 1 . . . 1 1 24 1 . . . 1 1 25 1 . . . 1 1 26 1 . . . 1 1 27 1 . . . 1 1 28 1 . . . 1 1 29 1 . . . 1 1 30 1 . . . 1 1 31 1 . . . 1 1 32 1 . . . 1 1 33 1 . . . 1 1 34 1 . . . 1 1 35 1 . . . 1 1 36 1 . . . 1 1 37 1 . . . 1 1 38 1 . . . 1 1 39 1 . . . 1 1 40 1 . . . 1 1 41 1 . . . 1 1 42 1 . . . 1 1 43 1 . . . 1 1 44 1 . . . 1 1 45 1 . . . 1 1 46 1 . . . 1 1 47 1 . . . 1 1 48 1 . . . 1 1 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 ALA HA . 1 . HA 1 1 1 1 2 1 1 2 CYS H . 2 . HN 1 1 2 1 1 1 1 1 ALA MB . 1 . HB# 1 1 2 1 2 1 1 2 CYS H . 2 . HN 1 1 3 1 1 1 1 2 CYS HA . 2 . HA 1 1 3 1 2 1 1 3 LEU H . 3 . HN 1 1 4 1 1 1 1 2 CYS H . 2 . HN 1 1 4 1 2 1 1 2 CYS HB3 . 2 . HB1 1 1 5 1 1 1 1 2 CYS H . 2 . HN 1 1 5 1 2 1 1 2 CYS HB2 . 2 . HB2 1 1 6 1 1 1 1 2 CYS HB3 . 2 . HB1 1 1 6 1 2 1 1 3 LEU H . 3 . HN 1 1 7 1 1 1 1 2 CYS HB2 . 2 . HB2 1 1 7 1 2 1 1 3 LEU H . 3 . HN 1 1 8 1 1 1 1 3 LEU H . 3 . HN 1 1 8 1 2 1 1 6 SER QB . 6 . HB# 1 1 9 1 1 1 1 3 LEU HA . 3 . HA 1 1 9 1 2 1 1 4 PRO QD . 4 . HD# 1 1 10 1 1 1 1 3 LEU HA . 3 . HA 1 1 10 1 2 1 1 6 SER H . 6 . HN 1 1 11 1 1 1 1 3 LEU H . 3 . HN 1 1 11 1 2 1 1 3 LEU HB3 . 3 . HB1 1 1 12 1 1 1 1 3 LEU H . 3 . HN 1 1 12 1 2 1 1 3 LEU HB2 . 3 . HB2 1 1 13 1 1 1 1 3 LEU HB3 . 3 . HB1 1 1 13 1 2 1 1 4 PRO QD . 4 . HD# 1 1 14 1 1 1 1 3 LEU HB3 . 3 . HB1 1 1 14 1 2 1 1 5 TRP H . 5 . HN 1 1 15 1 1 1 1 3 LEU HB2 . 3 . HB2 1 1 15 1 2 1 1 6 SER H . 6 . HN 1 1 16 1 1 1 1 3 LEU HB2 . 3 . HB2 1 1 16 1 2 1 1 6 SER QB . 6 . HB# 1 1 17 1 1 1 1 3 LEU HB2 . 3 . HB2 1 1 17 1 2 1 1 7 ASP H . 7 . HN 1 1 18 1 1 1 1 3 LEU H . 3 . HN 1 1 18 1 2 1 1 3 LEU QD . 3 . HD# 1 1 19 1 1 1 1 3 LEU QD . 3 . HD# 1 1 19 1 2 1 1 5 TRP HE1 . 5 . HE1 1 1 20 1 1 1 1 3 LEU QD . 3 . HD# 1 1 20 1 2 1 1 5 TRP HZ2 . 5 . HZ2 1 1 21 1 1 1 1 3 LEU MD1 . 3 . HD1# 1 1 21 1 2 1 1 7 ASP HA . 7 . HA 1 1 22 1 1 1 1 3 LEU MD2 . 3 . HD2# 1 1 22 1 2 1 1 7 ASP HA . 7 . HA 1 1 23 1 1 1 1 3 LEU H . 3 . HN 1 1 23 1 2 1 1 3 LEU HG . 3 . HG 1 1 24 1 1 1 1 4 PRO HA . 4 . HA 1 1 24 1 2 1 1 5 TRP H . 5 . HN 1 1 25 1 1 1 1 4 PRO QB . 4 . HB# 1 1 25 1 2 1 1 5 TRP H . 5 . HN 1 1 26 1 1 1 1 4 PRO QB . 4 . HB# 1 1 26 1 2 1 1 5 TRP HD1 . 5 . HD1 1 1 27 1 1 1 1 4 PRO QB . 4 . HB# 1 1 27 1 2 1 1 5 TRP HE3 . 5 . HE3 1 1 28 1 1 1 1 3 LEU QD . 3 . HD# 1 1 28 1 2 1 1 4 PRO QD . 4 . HD# 1 1 29 1 1 1 1 4 PRO QD . 4 . HD# 1 1 29 1 2 1 1 5 TRP HD1 . 5 . HD1 1 1 30 1 1 1 1 4 PRO QD . 4 . HD# 1 1 30 1 2 1 1 5 TRP HE3 . 5 . HE3 1 1 31 1 1 1 1 5 TRP HA . 5 . HA 1 1 31 1 2 1 1 6 SER H . 6 . HN 1 1 32 1 1 1 1 5 TRP H . 5 . HN 1 1 32 1 2 1 1 5 TRP QB . 5 . HB# 1 1 33 1 1 1 1 5 TRP QB . 5 . HB# 1 1 33 1 2 1 1 6 SER H . 6 . HN 1 1 34 1 1 1 1 5 TRP H . 5 . HN 1 1 34 1 2 1 1 6 SER H . 6 . HN 1 1 35 1 1 1 1 6 SER HA . 6 . HA 1 1 35 1 2 1 1 7 ASP H . 7 . HN 1 1 36 1 1 1 1 6 SER H . 6 . HN 1 1 36 1 2 1 1 6 SER QB . 6 . HB# 1 1 37 1 1 1 1 6 SER QB . 6 . HB# 1 1 37 1 2 1 1 7 ASP H . 7 . HN 1 1 38 1 1 1 1 6 SER H . 6 . HN 1 1 38 1 2 1 1 7 ASP H . 7 . HN 1 1 39 1 1 1 1 7 ASP HA . 7 . HA 1 1 39 1 2 1 1 8 GLY H . 8 . HN 1 1 40 1 1 1 1 7 ASP H . 7 . HN 1 1 40 1 2 1 1 7 ASP QB . 7 . HB# 1 1 41 1 1 1 1 7 ASP QB . 7 . HB# 1 1 41 1 2 1 1 8 GLY H . 8 . HN 1 1 42 1 1 1 1 8 GLY QA . 8 . HA# 1 1 42 1 2 1 1 9 PRO QD . 9 . HD# 1 1 43 1 1 1 1 7 ASP H . 7 . HN 1 1 43 1 2 1 1 8 GLY H . 8 . HN 1 1 44 1 1 1 1 8 GLY H . 8 . HN 1 1 44 1 2 1 1 9 PRO QD . 9 . HD# 1 1 45 1 1 1 1 9 PRO HA . 9 . HA 1 1 45 1 2 1 1 10 CYS H . 10 . HN 1 1 46 1 1 1 1 9 PRO QB . 9 . HB# 1 1 46 1 2 1 1 10 CYS H . 10 . HN 1 1 47 1 1 1 1 10 CYS H . 10 . HN 1 1 47 1 2 1 1 10 CYS HB3 . 10 . HB1 1 1 48 1 1 1 1 10 CYS H . 10 . HN 1 1 48 1 2 1 1 10 CYS HB2 . 10 . HB2 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 . . . . . 2.0 1.8 3.0 1 1 2 1 . . . . . 2.0 1.8 5.0 1 1 3 1 . . . . . 2.0 1.8 3.0 1 1 4 1 . . . . . 2.0 1.8 3.0 1 1 5 1 . . . . . 2.0 1.8 4.0 1 1 6 1 . . . . . 2.0 1.8 4.0 1 1 7 1 . . . . . 2.0 1.8 4.0 1 1 8 1 . . . . . 2.0 1.8 6.0 1 1 9 1 . . . . . 2.0 1.8 6.0 1 1 10 1 . . . . . 2.0 1.8 5.0 1 1 11 1 . . . . . 2.0 1.8 5.0 1 1 12 1 . . . . . 2.0 1.8 4.0 1 1 13 1 . . . . . 2.0 1.8 6.0 1 1 14 1 . . . . . 2.0 1.8 6.0 1 1 15 1 . . . . . 2.0 1.8 5.0 1 1 16 1 . . . . . 2.0 1.8 6.0 1 1 17 1 . . . . . 2.0 1.8 6.0 1 1 18 1 . . . . . 2.0 1.8 6.7 1 1 19 1 . . . . . 2.0 1.8 7.4 1 1 20 1 . . . . . 2.0 1.8 7.4 1 1 21 1 . . . . . 2.0 1.8 6.5 1 1 22 1 . . . . . 2.0 1.8 6.5 1 1 23 1 . . . . . 2.0 1.8 4.0 1 1 24 1 . . . . . 2.0 1.8 4.0 1 1 25 1 . . . . . 2.0 1.8 6.0 1 1 26 1 . . . . . 2.0 1.8 6.0 1 1 27 1 . . . . . 2.0 1.8 6.0 1 1 28 1 . . . . . 2.0 1.8 8.4 1 1 29 1 . . . . . 2.0 1.8 6.0 1 1 30 1 . . . . . 2.0 1.8 6.0 1 1 31 1 . . . . . 2.0 1.8 4.0 1 1 32 1 . . . . . 2.0 1.8 5.0 1 1 33 1 . . . . . 2.0 1.8 5.0 1 1 34 1 . . . . . 2.0 1.8 4.0 1 1 35 1 . . . . . 2.0 1.8 3.0 1 1 36 1 . . . . . 2.0 1.8 5.0 1 1 37 1 . . . . . 2.0 1.8 5.0 1 1 38 1 . . . . . 2.0 1.8 4.0 1 1 39 1 . . . . . 2.0 1.8 5.0 1 1 40 1 . . . . . 2.0 1.8 5.0 1 1 41 1 . . . . . 2.0 1.8 6.0 1 1 42 1 . . . . . 2.0 1.8 5.0 1 1 43 1 . . . . . 2.0 1.8 4.0 1 1 44 1 . . . . . 2.0 1.8 6.0 1 1 45 1 . . . . . 2.0 1.8 3.0 1 1 46 1 . . . . . 2.0 1.8 6.0 1 1 47 1 . . . . . 2.0 1.8 4.0 1 1 48 1 . . . . . 2.0 1.8 4.0 1 1 stop_ save_ save_CNS/XPLOR_distance_constraints_3_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 2 _Distance_constraint_list.Constraint_type "hydrogen bond" _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 2 2 1 . . . 1 2 3 1 . . . 1 2 4 1 . . . 1 2 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 3 LEU O . 3 . O 1 2 1 1 2 1 1 6 SER N . 6 . N 1 2 2 1 1 1 1 3 LEU O . 3 . O 1 2 2 1 2 1 1 6 SER H . 6 . HN 1 2 3 1 1 1 1 3 LEU N . 3 . N 1 2 3 1 2 1 1 7 ASP O . 7 . O 1 2 4 1 1 1 1 3 LEU H . 3 . HN 1 2 4 1 2 1 1 7 ASP O . 7 . O 1 2 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 . . . . . 3.0 2.7 3.4 1 2 2 1 . . . . . 2.0 1.7 2.4 1 2 3 1 . . . . . 3.0 2.7 3.4 1 2 4 1 . . . . . 2.0 1.7 2.4 1 2 stop_ save_ save_CNS/XPLOR_dihedral_4 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID 1 _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID . _Torsion_angle_constraint_list.Block_ID . loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 . 1 1 1 ALA C 1 1 2 CYS N 1 1 2 CYS CA 1 1 2 CYS C -179.99998 -20.0 . 1 . C . 2 . N . 2 . CA . 2 . C 1 1 2 . 1 1 2 CYS N 1 1 2 CYS CA 1 1 2 CYS CB 1 1 2 CYS SG -120.0 0.0 . 2 . N . 2 . CA . 2 . CB . 2 . SG 1 1 3 . 1 1 2 CYS C 1 1 3 LEU N 1 1 3 LEU CA 1 1 3 LEU C -179.99998 -20.0 . 2 . C . 3 . N . 3 . CA . 3 . C 1 1 4 . 1 1 3 LEU N 1 1 3 LEU CA 1 1 3 LEU CB 1 1 3 LEU CG -120.0 0.0 . 3 . N . 3 . CA . 3 . CB . 3 . CG 1 1 5 . 1 1 4 PRO C 1 1 5 TRP N 1 1 5 TRP CA 1 1 5 TRP C -179.99998 -20.0 . 4 . C . 5 . N . 5 . CA . 5 . C 1 1 6 . 1 1 6 SER C 1 1 7 ASP N 1 1 7 ASP CA 1 1 7 ASP C -179.99998 -20.0 . 6 . C . 7 . N . 7 . CA . 7 . C 1 1 7 . 1 1 9 PRO C 1 1 10 CYS N 1 1 10 CYS CA 1 1 10 CYS C -179.99998 -20.0 . 9 . C . 10 . N . 10 . CA . 10 . C 1 1 8 . 1 1 10 CYS N 1 1 10 CYS CA 1 1 10 CYS CB 1 1 10 CYS SG -120.0 0.0 . 10 . N . 10 . CA . 10 . CB . 10 . SG 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 ALA C C 2.163 3.884 1.940 1.00 . A A . 1 ALA C 1 1 1 2 1 1 1 ALA CA C 2.931 4.983 2.666 1.00 . A A . 1 ALA CA 1 1 1 3 1 1 1 ALA CB C 2.066 6.226 2.808 1.00 . A A . 1 ALA CB 1 1 1 4 1 1 1 ALA H1 H 4.519 6.237 2.297 1.00 . A A . 1 ALA H1 1 1 1 5 1 1 1 ALA H2 H 3.982 5.342 0.935 1.00 . A A . 1 ALA H2 1 1 1 6 1 1 1 ALA H3 H 4.884 4.567 2.173 1.00 . A A . 1 ALA H3 1 1 1 7 1 1 1 ALA HA H 3.182 4.634 3.658 1.00 . A A . 1 ALA HA 1 1 1 8 1 1 1 ALA HB1 H 2.653 7.026 3.233 1.00 . A A . 1 ALA HB1 1 1 1 9 1 1 1 ALA HB2 H 1.229 6.010 3.456 1.00 . A A . 1 ALA HB2 1 1 1 10 1 1 1 ALA HB3 H 1.702 6.524 1.836 1.00 . A A . 1 ALA HB3 1 1 1 11 1 1 1 ALA N N 4.193 5.312 1.953 1.00 . A A . 1 ALA N 1 1 1 12 1 1 1 ALA O O 1.702 4.079 0.815 1.00 . A A . 1 ALA O 1 1 1 13 1 1 2 CYS C C 0.135 2.004 1.196 1.00 . A A . 2 CYS C 1 1 1 14 1 1 2 CYS CA C 1.344 1.576 2.027 1.00 . A A . 2 CYS CA 1 1 1 15 1 1 2 CYS CB C 0.888 0.620 3.140 1.00 . A A . 2 CYS CB 1 1 1 16 1 1 2 CYS H H 2.444 2.635 3.473 1.00 . A A . 2 CYS H 1 1 1 17 1 1 2 CYS HA H 2.038 1.055 1.385 1.00 . A A . 2 CYS HA 1 1 1 18 1 1 2 CYS HB2 H -0.178 0.477 3.075 1.00 . A A . 2 CYS HB2 1 1 1 19 1 1 2 CYS HB3 H 1.379 -0.321 2.985 1.00 . A A . 2 CYS HB3 1 1 1 20 1 1 2 CYS N N 2.042 2.726 2.590 1.00 . A A . 2 CYS N 1 1 1 21 1 1 2 CYS O O -0.470 3.045 1.452 1.00 . A A . 2 CYS O 1 1 1 22 1 1 2 CYS SG S 1.270 1.143 4.850 1.00 . A A . 2 CYS SG 1 1 1 23 1 1 3 LEU C C -2.603 0.765 -0.198 1.00 . A A . 3 LEU C 1 1 1 24 1 1 3 LEU CA C -1.344 1.492 -0.670 1.00 . A A . 3 LEU CA 1 1 1 25 1 1 3 LEU CB C -1.026 1.100 -2.114 1.00 . A A . 3 LEU CB 1 1 1 26 1 1 3 LEU CD1 C 0.967 0.712 -3.588 1.00 . A A . 3 LEU CD1 1 1 1 27 1 1 3 LEU CD2 C -0.049 2.992 -3.436 1.00 . A A . 3 LEU CD2 1 1 1 28 1 1 3 LEU CG C 0.259 1.707 -2.682 1.00 . A A . 3 LEU CG 1 1 1 29 1 1 3 LEU H H 0.313 0.379 0.043 1.00 . A A . 3 LEU H 1 1 1 30 1 1 3 LEU HA H -1.521 2.556 -0.627 1.00 . A A . 3 LEU HA 1 1 1 31 1 1 3 LEU HB2 H -0.945 0.024 -2.162 1.00 . A A . 3 LEU HB2 1 1 1 32 1 1 3 LEU HB3 H -1.850 1.410 -2.739 1.00 . A A . 3 LEU HB3 1 1 1 33 1 1 3 LEU HD11 H 0.624 -0.287 -3.363 1.00 . A A . 3 LEU HD11 1 1 1 34 1 1 3 LEU HD12 H 2.033 0.771 -3.424 1.00 . A A . 3 LEU HD12 1 1 1 35 1 1 3 LEU HD13 H 0.748 0.944 -4.620 1.00 . A A . 3 LEU HD13 1 1 1 36 1 1 3 LEU HD21 H 0.640 3.099 -4.261 1.00 . A A . 3 LEU HD21 1 1 1 37 1 1 3 LEU HD22 H 0.054 3.835 -2.769 1.00 . A A . 3 LEU HD22 1 1 1 38 1 1 3 LEU HD23 H -1.060 2.955 -3.814 1.00 . A A . 3 LEU HD23 1 1 1 39 1 1 3 LEU HG H 0.926 1.949 -1.867 1.00 . A A . 3 LEU HG 1 1 1 40 1 1 3 LEU N N -0.210 1.194 0.199 1.00 . A A . 3 LEU N 1 1 1 41 1 1 3 LEU O O -2.521 -0.301 0.413 1.00 . A A . 3 LEU O 1 1 1 42 1 1 4 PRO C C -5.246 -0.674 -0.628 1.00 . A A . 4 PRO C 1 1 1 43 1 1 4 PRO CA C -5.069 0.737 -0.079 1.00 . A A . 4 PRO CA 1 1 1 44 1 1 4 PRO CB C -6.114 1.678 -0.688 1.00 . A A . 4 PRO CB 1 1 1 45 1 1 4 PRO CD C -3.976 2.605 -1.201 1.00 . A A . 4 PRO CD 1 1 1 46 1 1 4 PRO CG C -5.399 2.969 -0.885 1.00 . A A . 4 PRO CG 1 1 1 47 1 1 4 PRO HA H -5.179 0.719 0.996 1.00 . A A . 4 PRO HA 1 1 1 48 1 1 4 PRO HB2 H -6.463 1.272 -1.626 1.00 . A A . 4 PRO HB2 1 1 1 49 1 1 4 PRO HB3 H -6.944 1.788 -0.006 1.00 . A A . 4 PRO HB3 1 1 1 50 1 1 4 PRO HD2 H -3.849 2.467 -2.265 1.00 . A A . 4 PRO HD2 1 1 1 51 1 1 4 PRO HD3 H -3.302 3.363 -0.832 1.00 . A A . 4 PRO HD3 1 1 1 52 1 1 4 PRO HG2 H -5.839 3.511 -1.709 1.00 . A A . 4 PRO HG2 1 1 1 53 1 1 4 PRO HG3 H -5.444 3.556 0.020 1.00 . A A . 4 PRO HG3 1 1 1 54 1 1 4 PRO N N -3.789 1.335 -0.477 1.00 . A A . 4 PRO N 1 1 1 55 1 1 4 PRO O O -5.516 -1.614 0.120 1.00 . A A . 4 PRO O 1 1 1 56 1 1 5 TRP C C -3.884 -2.831 -2.698 1.00 . A A . 5 TRP C 1 1 1 57 1 1 5 TRP CA C -5.231 -2.118 -2.591 1.00 . A A . 5 TRP CA 1 1 1 58 1 1 5 TRP CB C -5.859 -1.973 -3.986 1.00 . A A . 5 TRP CB 1 1 1 59 1 1 5 TRP CD1 C -6.611 0.255 -5.008 1.00 . A A . 5 TRP CD1 1 1 1 60 1 1 5 TRP CD2 C -4.390 -0.018 -4.938 1.00 . A A . 5 TRP CD2 1 1 1 61 1 1 5 TRP CE2 C -4.670 1.235 -5.517 1.00 . A A . 5 TRP CE2 1 1 1 62 1 1 5 TRP CE3 C -3.056 -0.407 -4.790 1.00 . A A . 5 TRP CE3 1 1 1 63 1 1 5 TRP CG C -5.646 -0.630 -4.620 1.00 . A A . 5 TRP CG 1 1 1 64 1 1 5 TRP CH2 C -2.369 1.692 -5.788 1.00 . A A . 5 TRP CH2 1 1 1 65 1 1 5 TRP CZ2 C -3.666 2.099 -5.946 1.00 . A A . 5 TRP CZ2 1 1 1 66 1 1 5 TRP CZ3 C -2.060 0.452 -5.216 1.00 . A A . 5 TRP CZ3 1 1 1 67 1 1 5 TRP H H -4.872 -0.029 -2.481 1.00 . A A . 5 TRP H 1 1 1 68 1 1 5 TRP HA H -5.887 -2.717 -1.977 1.00 . A A . 5 TRP HA 1 1 1 69 1 1 5 TRP HB2 H -5.433 -2.718 -4.641 1.00 . A A . 5 TRP HB2 1 1 1 70 1 1 5 TRP HB3 H -6.924 -2.139 -3.909 1.00 . A A . 5 TRP HB3 1 1 1 71 1 1 5 TRP HD1 H -7.672 0.082 -4.900 1.00 . A A . 5 TRP HD1 1 1 1 72 1 1 5 TRP HE1 H -6.517 2.154 -5.898 1.00 . A A . 5 TRP HE1 1 1 1 73 1 1 5 TRP HE3 H -2.797 -1.358 -4.351 1.00 . A A . 5 TRP HE3 1 1 1 74 1 1 5 TRP HH2 H -1.559 2.330 -6.108 1.00 . A A . 5 TRP HH2 1 1 1 75 1 1 5 TRP HZ2 H -3.888 3.058 -6.389 1.00 . A A . 5 TRP HZ2 1 1 1 76 1 1 5 TRP HZ3 H -1.023 0.167 -5.110 1.00 . A A . 5 TRP HZ3 1 1 1 77 1 1 5 TRP N N -5.090 -0.816 -1.940 1.00 . A A . 5 TRP N 1 1 1 78 1 1 5 TRP NE1 N -6.033 1.378 -5.548 1.00 . A A . 5 TRP NE1 1 1 1 79 1 1 5 TRP O O -3.773 -3.870 -3.349 1.00 . A A . 5 TRP O 1 1 1 80 1 1 6 SER C C -0.650 -2.224 -0.998 1.00 . A A . 6 SER C 1 1 1 81 1 1 6 SER CA C -1.527 -2.855 -2.074 1.00 . A A . 6 SER CA 1 1 1 82 1 1 6 SER CB C -0.884 -2.668 -3.450 1.00 . A A . 6 SER CB 1 1 1 83 1 1 6 SER H H -3.011 -1.445 -1.548 1.00 . A A . 6 SER H 1 1 1 84 1 1 6 SER HA H -1.624 -3.911 -1.871 1.00 . A A . 6 SER HA 1 1 1 85 1 1 6 SER HB2 H -0.839 -1.614 -3.684 1.00 . A A . 6 SER HB2 1 1 1 86 1 1 6 SER HB3 H 0.116 -3.076 -3.436 1.00 . A A . 6 SER HB3 1 1 1 87 1 1 6 SER HG H -1.434 -2.931 -5.312 1.00 . A A . 6 SER HG 1 1 1 88 1 1 6 SER N N -2.863 -2.270 -2.053 1.00 . A A . 6 SER N 1 1 1 89 1 1 6 SER O O 0.350 -1.572 -1.299 1.00 . A A . 6 SER O 1 1 1 90 1 1 6 SER OG O -1.631 -3.326 -4.459 1.00 . A A . 6 SER OG 1 1 1 91 1 1 7 ASP C C 1.211 -2.078 1.228 1.00 . A A . 7 ASP C 1 1 1 92 1 1 7 ASP CA C -0.293 -1.865 1.392 1.00 . A A . 7 ASP CA 1 1 1 93 1 1 7 ASP CB C -0.770 -2.485 2.712 1.00 . A A . 7 ASP CB 1 1 1 94 1 1 7 ASP CG C -1.178 -3.941 2.572 1.00 . A A . 7 ASP CG 1 1 1 95 1 1 7 ASP H H -1.847 -2.944 0.434 1.00 . A A . 7 ASP H 1 1 1 96 1 1 7 ASP HA H -0.488 -0.803 1.419 1.00 . A A . 7 ASP HA 1 1 1 97 1 1 7 ASP HB2 H 0.028 -2.426 3.437 1.00 . A A . 7 ASP HB2 1 1 1 98 1 1 7 ASP HB3 H -1.620 -1.926 3.076 1.00 . A A . 7 ASP HB3 1 1 1 99 1 1 7 ASP N N -1.037 -2.419 0.261 1.00 . A A . 7 ASP N 1 1 1 100 1 1 7 ASP O O 1.954 -1.128 0.982 1.00 . A A . 7 ASP O 1 1 1 101 1 1 7 ASP OD1 O -0.279 -4.802 2.474 1.00 . A A . 7 ASP OD1 1 1 1 102 1 1 7 ASP OD2 O -2.396 -4.217 2.560 1.00 . A A . 7 ASP OD2 1 1 1 103 1 1 8 GLY C C 3.848 -3.325 2.488 1.00 . A A . 8 GLY C 1 1 1 104 1 1 8 GLY CA C 3.064 -3.627 1.224 1.00 . A A . 8 GLY CA 1 1 1 105 1 1 8 GLY H H 1.017 -4.043 1.555 1.00 . A A . 8 GLY H 1 1 1 106 1 1 8 GLY HA2 H 3.175 -4.675 0.987 1.00 . A A . 8 GLY HA2 1 1 1 107 1 1 8 GLY HA3 H 3.470 -3.040 0.413 1.00 . A A . 8 GLY HA3 1 1 1 108 1 1 8 GLY N N 1.652 -3.324 1.362 1.00 . A A . 8 GLY N 1 1 1 109 1 1 8 GLY O O 3.269 -3.235 3.571 1.00 . A A . 8 GLY O 1 1 1 110 1 1 9 PRO C C 5.840 -1.440 4.046 1.00 . A A . 9 PRO C 1 1 1 111 1 1 9 PRO CA C 6.030 -2.864 3.536 1.00 . A A . 9 PRO CA 1 1 1 112 1 1 9 PRO CB C 7.445 -3.050 2.986 1.00 . A A . 9 PRO CB 1 1 1 113 1 1 9 PRO CD C 5.951 -3.248 1.129 1.00 . A A . 9 PRO CD 1 1 1 114 1 1 9 PRO CG C 7.321 -2.772 1.528 1.00 . A A . 9 PRO CG 1 1 1 115 1 1 9 PRO HA H 5.859 -3.561 4.344 1.00 . A A . 9 PRO HA 1 1 1 116 1 1 9 PRO HB2 H 8.116 -2.354 3.467 1.00 . A A . 9 PRO HB2 1 1 1 117 1 1 9 PRO HB3 H 7.775 -4.062 3.168 1.00 . A A . 9 PRO HB3 1 1 1 118 1 1 9 PRO HD2 H 5.533 -2.602 0.371 1.00 . A A . 9 PRO HD2 1 1 1 119 1 1 9 PRO HD3 H 5.994 -4.268 0.775 1.00 . A A . 9 PRO HD3 1 1 1 120 1 1 9 PRO HG2 H 7.417 -1.712 1.348 1.00 . A A . 9 PRO HG2 1 1 1 121 1 1 9 PRO HG3 H 8.080 -3.317 0.985 1.00 . A A . 9 PRO HG3 1 1 1 122 1 1 9 PRO N N 5.177 -3.160 2.382 1.00 . A A . 9 PRO N 1 1 1 123 1 1 9 PRO O O 6.474 -0.505 3.557 1.00 . A A . 9 PRO O 1 1 1 124 1 1 10 CYS C C 5.909 0.556 6.363 1.00 . A A . 10 CYS C 1 1 1 125 1 1 10 CYS CA C 4.691 0.030 5.610 1.00 . A A . 10 CYS CA 1 1 1 126 1 1 10 CYS CB C 3.487 -0.044 6.550 1.00 . A A . 10 CYS CB 1 1 1 127 1 1 10 CYS H H 4.490 -2.065 5.382 1.00 . A A . 10 CYS H 1 1 1 128 1 1 10 CYS HA H 4.464 0.707 4.800 1.00 . A A . 10 CYS HA 1 1 1 129 1 1 10 CYS HB2 H 3.696 -0.755 7.335 1.00 . A A . 10 CYS HB2 1 1 1 130 1 1 10 CYS HB3 H 3.322 0.930 6.988 1.00 . A A . 10 CYS HB3 1 1 1 131 1 1 10 CYS N N 4.964 -1.281 5.033 1.00 . A A . 10 CYS N 1 1 1 132 1 1 10 CYS O O 7.026 0.064 6.098 1.00 . A A . 10 CYS O 1 1 1 133 1 1 10 CYS OXT O 5.735 1.455 7.212 1.00 . A A . 10 CYS OXT 1 1 1 134 1 1 10 CYS SG S 1.939 -0.557 5.737 1.00 . A A . 10 CYS SG 1 1 2 135 1 1 1 ALA C C 2.705 3.699 1.620 1.00 . A A . 1 ALA C 1 1 2 136 1 1 1 ALA CA C 3.105 4.998 2.311 1.00 . A A . 1 ALA CA 1 1 2 137 1 1 1 ALA CB C 2.040 6.063 2.092 1.00 . A A . 1 ALA CB 1 1 2 138 1 1 1 ALA H1 H 4.569 6.439 2.185 1.00 . A A . 1 ALA H1 1 1 2 139 1 1 1 ALA H2 H 4.396 5.469 0.779 1.00 . A A . 1 ALA H2 1 1 2 140 1 1 1 ALA H3 H 5.151 4.826 2.180 1.00 . A A . 1 ALA H3 1 1 2 141 1 1 1 ALA HA H 3.184 4.818 3.373 1.00 . A A . 1 ALA HA 1 1 2 142 1 1 1 ALA HB1 H 2.188 6.871 2.793 1.00 . A A . 1 ALA HB1 1 1 2 143 1 1 1 ALA HB2 H 1.062 5.630 2.244 1.00 . A A . 1 ALA HB2 1 1 2 144 1 1 1 ALA HB3 H 2.111 6.443 1.083 1.00 . A A . 1 ALA HB3 1 1 2 145 1 1 1 ALA N N 4.424 5.476 1.819 1.00 . A A . 1 ALA N 1 1 2 146 1 1 1 ALA O O 3.330 3.286 0.644 1.00 . A A . 1 ALA O 1 1 2 147 1 1 2 CYS C C 0.121 2.063 0.506 1.00 . A A . 2 CYS C 1 1 2 148 1 1 2 CYS CA C 1.176 1.813 1.577 1.00 . A A . 2 CYS CA 1 1 2 149 1 1 2 CYS CB C 0.594 0.953 2.694 1.00 . A A . 2 CYS CB 1 1 2 150 1 1 2 CYS H H 1.200 3.432 2.913 1.00 . A A . 2 CYS H 1 1 2 151 1 1 2 CYS HA H 2.012 1.296 1.134 1.00 . A A . 2 CYS HA 1 1 2 152 1 1 2 CYS HB2 H 0.701 1.482 3.625 1.00 . A A . 2 CYS HB2 1 1 2 153 1 1 2 CYS HB3 H -0.450 0.793 2.503 1.00 . A A . 2 CYS HB3 1 1 2 154 1 1 2 CYS N N 1.660 3.059 2.135 1.00 . A A . 2 CYS N 1 1 2 155 1 1 2 CYS O O -0.475 3.138 0.441 1.00 . A A . 2 CYS O 1 1 2 156 1 1 2 CYS SG S 1.394 -0.672 2.895 1.00 . A A . 2 CYS SG 1 1 2 157 1 1 3 LEU C C -2.505 1.104 -0.856 1.00 . A A . 3 LEU C 1 1 2 158 1 1 3 LEU CA C -1.081 1.154 -1.402 1.00 . A A . 3 LEU CA 1 1 2 159 1 1 3 LEU CB C -0.872 0.011 -2.391 1.00 . A A . 3 LEU CB 1 1 2 160 1 1 3 LEU CD1 C 1.287 0.365 -3.627 1.00 . A A . 3 LEU CD1 1 1 2 161 1 1 3 LEU CD2 C -0.730 -0.477 -4.844 1.00 . A A . 3 LEU CD2 1 1 2 162 1 1 3 LEU CG C -0.230 0.416 -3.719 1.00 . A A . 3 LEU CG 1 1 2 163 1 1 3 LEU H H 0.411 0.228 -0.221 1.00 . A A . 3 LEU H 1 1 2 164 1 1 3 LEU HA H -0.931 2.093 -1.912 1.00 . A A . 3 LEU HA 1 1 2 165 1 1 3 LEU HB2 H -0.247 -0.731 -1.915 1.00 . A A . 3 LEU HB2 1 1 2 166 1 1 3 LEU HB3 H -1.832 -0.436 -2.604 1.00 . A A . 3 LEU HB3 1 1 2 167 1 1 3 LEU HD11 H 1.716 0.953 -4.425 1.00 . A A . 3 LEU HD11 1 1 2 168 1 1 3 LEU HD12 H 1.620 -0.658 -3.715 1.00 . A A . 3 LEU HD12 1 1 2 169 1 1 3 LEU HD13 H 1.604 0.766 -2.675 1.00 . A A . 3 LEU HD13 1 1 2 170 1 1 3 LEU HD21 H -0.471 -1.504 -4.631 1.00 . A A . 3 LEU HD21 1 1 2 171 1 1 3 LEU HD22 H -0.273 -0.175 -5.775 1.00 . A A . 3 LEU HD22 1 1 2 172 1 1 3 LEU HD23 H -1.804 -0.387 -4.924 1.00 . A A . 3 LEU HD23 1 1 2 173 1 1 3 LEU HG H -0.513 1.432 -3.948 1.00 . A A . 3 LEU HG 1 1 2 174 1 1 3 LEU N N -0.101 1.059 -0.329 1.00 . A A . 3 LEU N 1 1 2 175 1 1 3 LEU O O -2.715 0.875 0.335 1.00 . A A . 3 LEU O 1 1 2 176 1 1 4 PRO C C -5.303 -0.090 -0.760 1.00 . A A . 4 PRO C 1 1 2 177 1 1 4 PRO CA C -4.919 1.269 -1.331 1.00 . A A . 4 PRO CA 1 1 2 178 1 1 4 PRO CB C -5.677 1.536 -2.638 1.00 . A A . 4 PRO CB 1 1 2 179 1 1 4 PRO CD C -3.351 1.572 -3.168 1.00 . A A . 4 PRO CD 1 1 2 180 1 1 4 PRO CG C -4.676 2.167 -3.545 1.00 . A A . 4 PRO CG 1 1 2 181 1 1 4 PRO HA H -5.149 2.040 -0.610 1.00 . A A . 4 PRO HA 1 1 2 182 1 1 4 PRO HB2 H -6.041 0.603 -3.041 1.00 . A A . 4 PRO HB2 1 1 2 183 1 1 4 PRO HB3 H -6.507 2.198 -2.445 1.00 . A A . 4 PRO HB3 1 1 2 184 1 1 4 PRO HD2 H -3.178 0.656 -3.715 1.00 . A A . 4 PRO HD2 1 1 2 185 1 1 4 PRO HD3 H -2.554 2.278 -3.344 1.00 . A A . 4 PRO HD3 1 1 2 186 1 1 4 PRO HG2 H -4.914 1.935 -4.573 1.00 . A A . 4 PRO HG2 1 1 2 187 1 1 4 PRO HG3 H -4.664 3.237 -3.392 1.00 . A A . 4 PRO HG3 1 1 2 188 1 1 4 PRO N N -3.509 1.306 -1.729 1.00 . A A . 4 PRO N 1 1 2 189 1 1 4 PRO O O -6.180 -0.191 0.098 1.00 . A A . 4 PRO O 1 1 2 190 1 1 5 TRP C C -3.780 -2.952 0.181 1.00 . A A . 5 TRP C 1 1 2 191 1 1 5 TRP CA C -4.887 -2.490 -0.767 1.00 . A A . 5 TRP CA 1 1 2 192 1 1 5 TRP CB C -5.020 -3.474 -1.941 1.00 . A A . 5 TRP CB 1 1 2 193 1 1 5 TRP CD1 C -3.398 -2.857 -3.827 1.00 . A A . 5 TRP CD1 1 1 2 194 1 1 5 TRP CD2 C -5.525 -2.284 -4.223 1.00 . A A . 5 TRP CD2 1 1 2 195 1 1 5 TRP CE2 C -4.743 -1.897 -5.328 1.00 . A A . 5 TRP CE2 1 1 2 196 1 1 5 TRP CE3 C -6.898 -2.026 -4.247 1.00 . A A . 5 TRP CE3 1 1 2 197 1 1 5 TRP CG C -4.645 -2.899 -3.275 1.00 . A A . 5 TRP CG 1 1 2 198 1 1 5 TRP CH2 C -6.636 -1.026 -6.438 1.00 . A A . 5 TRP CH2 1 1 2 199 1 1 5 TRP CZ2 C -5.289 -1.266 -6.442 1.00 . A A . 5 TRP CZ2 1 1 2 200 1 1 5 TRP CZ3 C -7.439 -1.399 -5.354 1.00 . A A . 5 TRP CZ3 1 1 2 201 1 1 5 TRP H H -3.935 -0.984 -1.913 1.00 . A A . 5 TRP H 1 1 2 202 1 1 5 TRP HA H -5.818 -2.473 -0.220 1.00 . A A . 5 TRP HA 1 1 2 203 1 1 5 TRP HB2 H -4.384 -4.327 -1.760 1.00 . A A . 5 TRP HB2 1 1 2 204 1 1 5 TRP HB3 H -6.047 -3.808 -2.000 1.00 . A A . 5 TRP HB3 1 1 2 205 1 1 5 TRP HD1 H -2.510 -3.244 -3.351 1.00 . A A . 5 TRP HD1 1 1 2 206 1 1 5 TRP HE1 H -2.681 -2.112 -5.655 1.00 . A A . 5 TRP HE1 1 1 2 207 1 1 5 TRP HE3 H -7.533 -2.306 -3.420 1.00 . A A . 5 TRP HE3 1 1 2 208 1 1 5 TRP HH2 H -7.101 -0.538 -7.282 1.00 . A A . 5 TRP HH2 1 1 2 209 1 1 5 TRP HZ2 H -4.683 -0.972 -7.287 1.00 . A A . 5 TRP HZ2 1 1 2 210 1 1 5 TRP HZ3 H -8.498 -1.191 -5.389 1.00 . A A . 5 TRP HZ3 1 1 2 211 1 1 5 TRP N N -4.629 -1.133 -1.237 1.00 . A A . 5 TRP N 1 1 2 212 1 1 5 TRP NE1 N -3.448 -2.258 -5.062 1.00 . A A . 5 TRP NE1 1 1 2 213 1 1 5 TRP O O -3.641 -4.144 0.453 1.00 . A A . 5 TRP O 1 1 2 214 1 1 6 SER C C -0.732 -2.947 0.923 1.00 . A A . 6 SER C 1 1 2 215 1 1 6 SER CA C -1.914 -2.284 1.618 1.00 . A A . 6 SER CA 1 1 2 216 1 1 6 SER CB C -2.412 -3.160 2.760 1.00 . A A . 6 SER CB 1 1 2 217 1 1 6 SER H H -3.173 -1.063 0.437 1.00 . A A . 6 SER H 1 1 2 218 1 1 6 SER HA H -1.581 -1.342 2.029 1.00 . A A . 6 SER HA 1 1 2 219 1 1 6 SER HB2 H -1.836 -2.944 3.645 1.00 . A A . 6 SER HB2 1 1 2 220 1 1 6 SER HB3 H -3.452 -2.941 2.940 1.00 . A A . 6 SER HB3 1 1 2 221 1 1 6 SER HG H -1.883 -4.996 3.197 1.00 . A A . 6 SER HG 1 1 2 222 1 1 6 SER N N -3.003 -1.994 0.688 1.00 . A A . 6 SER N 1 1 2 223 1 1 6 SER O O -0.111 -3.864 1.463 1.00 . A A . 6 SER O 1 1 2 224 1 1 6 SER OG O -2.279 -4.538 2.452 1.00 . A A . 6 SER OG 1 1 2 225 1 1 7 ASP C C 1.927 -2.093 -0.830 1.00 . A A . 7 ASP C 1 1 2 226 1 1 7 ASP CA C 0.707 -2.981 -1.029 1.00 . A A . 7 ASP CA 1 1 2 227 1 1 7 ASP CB C 0.356 -3.071 -2.516 1.00 . A A . 7 ASP CB 1 1 2 228 1 1 7 ASP CG C 1.185 -4.112 -3.243 1.00 . A A . 7 ASP CG 1 1 2 229 1 1 7 ASP H H -0.934 -1.724 -0.624 1.00 . A A . 7 ASP H 1 1 2 230 1 1 7 ASP HA H 0.932 -3.970 -0.658 1.00 . A A . 7 ASP HA 1 1 2 231 1 1 7 ASP HB2 H -0.686 -3.333 -2.619 1.00 . A A . 7 ASP HB2 1 1 2 232 1 1 7 ASP HB3 H 0.529 -2.113 -2.980 1.00 . A A . 7 ASP HB3 1 1 2 233 1 1 7 ASP N N -0.413 -2.461 -0.264 1.00 . A A . 7 ASP N 1 1 2 234 1 1 7 ASP O O 2.071 -1.059 -1.480 1.00 . A A . 7 ASP O 1 1 2 235 1 1 7 ASP OD1 O 1.451 -5.179 -2.652 1.00 . A A . 7 ASP OD1 1 1 2 236 1 1 7 ASP OD2 O 1.568 -3.860 -4.405 1.00 . A A . 7 ASP OD2 1 1 2 237 1 1 8 GLY C C 4.546 -2.034 1.758 1.00 . A A . 8 GLY C 1 1 2 238 1 1 8 GLY CA C 3.988 -1.733 0.379 1.00 . A A . 8 GLY CA 1 1 2 239 1 1 8 GLY H H 2.606 -3.324 0.582 1.00 . A A . 8 GLY H 1 1 2 240 1 1 8 GLY HA2 H 4.740 -1.966 -0.361 1.00 . A A . 8 GLY HA2 1 1 2 241 1 1 8 GLY HA3 H 3.753 -0.680 0.320 1.00 . A A . 8 GLY HA3 1 1 2 242 1 1 8 GLY N N 2.790 -2.499 0.089 1.00 . A A . 8 GLY N 1 1 2 243 1 1 8 GLY O O 4.315 -3.116 2.298 1.00 . A A . 8 GLY O 1 1 2 244 1 1 9 PRO C C 4.807 -1.305 4.785 1.00 . A A . 9 PRO C 1 1 2 245 1 1 9 PRO CA C 5.871 -1.276 3.692 1.00 . A A . 9 PRO CA 1 1 2 246 1 1 9 PRO CB C 6.781 -0.055 3.858 1.00 . A A . 9 PRO CB 1 1 2 247 1 1 9 PRO CD C 5.613 0.232 1.792 1.00 . A A . 9 PRO CD 1 1 2 248 1 1 9 PRO CG C 6.197 0.979 2.959 1.00 . A A . 9 PRO CG 1 1 2 249 1 1 9 PRO HA H 6.461 -2.179 3.741 1.00 . A A . 9 PRO HA 1 1 2 250 1 1 9 PRO HB2 H 6.771 0.266 4.890 1.00 . A A . 9 PRO HB2 1 1 2 251 1 1 9 PRO HB3 H 7.788 -0.310 3.564 1.00 . A A . 9 PRO HB3 1 1 2 252 1 1 9 PRO HD2 H 4.723 0.727 1.433 1.00 . A A . 9 PRO HD2 1 1 2 253 1 1 9 PRO HD3 H 6.341 0.141 0.999 1.00 . A A . 9 PRO HD3 1 1 2 254 1 1 9 PRO HG2 H 5.424 1.524 3.480 1.00 . A A . 9 PRO HG2 1 1 2 255 1 1 9 PRO HG3 H 6.971 1.652 2.623 1.00 . A A . 9 PRO HG3 1 1 2 256 1 1 9 PRO N N 5.288 -1.089 2.360 1.00 . A A . 9 PRO N 1 1 2 257 1 1 9 PRO O O 4.781 -0.444 5.665 1.00 . A A . 9 PRO O 1 1 2 258 1 1 10 CYS C C 3.229 -3.472 6.765 1.00 . A A . 10 CYS C 1 1 2 259 1 1 10 CYS CA C 2.859 -2.444 5.700 1.00 . A A . 10 CYS CA 1 1 2 260 1 1 10 CYS CB C 1.558 -2.854 5.006 1.00 . A A . 10 CYS CB 1 1 2 261 1 1 10 CYS H H 4.001 -2.954 3.994 1.00 . A A . 10 CYS H 1 1 2 262 1 1 10 CYS HA H 2.716 -1.485 6.176 1.00 . A A . 10 CYS HA 1 1 2 263 1 1 10 CYS HB2 H 1.797 -3.399 4.105 1.00 . A A . 10 CYS HB2 1 1 2 264 1 1 10 CYS HB3 H 0.992 -3.493 5.667 1.00 . A A . 10 CYS HB3 1 1 2 265 1 1 10 CYS N N 3.929 -2.300 4.720 1.00 . A A . 10 CYS N 1 1 2 266 1 1 10 CYS O O 2.326 -3.898 7.515 1.00 . A A . 10 CYS O 1 1 2 267 1 1 10 CYS OXT O 4.420 -3.844 6.839 1.00 . A A . 10 CYS OXT 1 1 2 268 1 1 10 CYS SG S 0.490 -1.453 4.537 1.00 . A A . 10 CYS SG 1 1 3 269 1 1 1 ALA C C -0.570 3.409 3.179 1.00 . A A . 1 ALA C 1 1 3 270 1 1 1 ALA CA C -1.870 3.274 3.963 1.00 . A A . 1 ALA CA 1 1 3 271 1 1 1 ALA CB C -3.059 3.273 3.014 1.00 . A A . 1 ALA CB 1 1 3 272 1 1 1 ALA H1 H -2.694 4.060 5.676 1.00 . A A . 1 ALA H1 1 1 3 273 1 1 1 ALA H2 H -2.345 5.214 4.454 1.00 . A A . 1 ALA H2 1 1 3 274 1 1 1 ALA H3 H -1.073 4.531 5.382 1.00 . A A . 1 ALA H3 1 1 3 275 1 1 1 ALA HA H -1.862 2.332 4.492 1.00 . A A . 1 ALA HA 1 1 3 276 1 1 1 ALA HB1 H -2.945 2.475 2.295 1.00 . A A . 1 ALA HB1 1 1 3 277 1 1 1 ALA HB2 H -3.107 4.220 2.497 1.00 . A A . 1 ALA HB2 1 1 3 278 1 1 1 ALA HB3 H -3.968 3.123 3.576 1.00 . A A . 1 ALA HB3 1 1 3 279 1 1 1 ALA N N -2.008 4.368 4.959 1.00 . A A . 1 ALA N 1 1 3 280 1 1 1 ALA O O -0.210 4.501 2.738 1.00 . A A . 1 ALA O 1 1 3 281 1 1 2 CYS C C 1.154 2.116 0.791 1.00 . A A . 2 CYS C 1 1 3 282 1 1 2 CYS CA C 1.383 2.281 2.280 1.00 . A A . 2 CYS CA 1 1 3 283 1 1 2 CYS CB C 2.275 1.167 2.825 1.00 . A A . 2 CYS CB 1 1 3 284 1 1 2 CYS H H -0.200 1.451 3.377 1.00 . A A . 2 CYS H 1 1 3 285 1 1 2 CYS HA H 1.862 3.203 2.434 1.00 . A A . 2 CYS HA 1 1 3 286 1 1 2 CYS HB2 H 1.756 0.669 3.630 1.00 . A A . 2 CYS HB2 1 1 3 287 1 1 2 CYS HB3 H 2.466 0.458 2.043 1.00 . A A . 2 CYS HB3 1 1 3 288 1 1 2 CYS N N 0.132 2.293 3.007 1.00 . A A . 2 CYS N 1 1 3 289 1 1 2 CYS O O 1.234 3.069 0.016 1.00 . A A . 2 CYS O 1 1 3 290 1 1 2 CYS SG S 3.876 1.741 3.478 1.00 . A A . 2 CYS SG 1 1 3 291 1 1 3 LEU C C -0.733 1.070 -1.440 1.00 . A A . 3 LEU C 1 1 3 292 1 1 3 LEU CA C 0.625 0.545 -0.974 1.00 . A A . 3 LEU CA 1 1 3 293 1 1 3 LEU CB C 0.689 -0.973 -1.156 1.00 . A A . 3 LEU CB 1 1 3 294 1 1 3 LEU CD1 C 3.038 -1.429 -0.407 1.00 . A A . 3 LEU CD1 1 1 3 295 1 1 3 LEU CD2 C 1.937 -2.952 -2.059 1.00 . A A . 3 LEU CD2 1 1 3 296 1 1 3 LEU CG C 2.058 -1.517 -1.567 1.00 . A A . 3 LEU CG 1 1 3 297 1 1 3 LEU H H 0.838 0.218 1.110 1.00 . A A . 3 LEU H 1 1 3 298 1 1 3 LEU HA H 1.397 1.002 -1.574 1.00 . A A . 3 LEU HA 1 1 3 299 1 1 3 LEU HB2 H 0.404 -1.438 -0.223 1.00 . A A . 3 LEU HB2 1 1 3 300 1 1 3 LEU HB3 H -0.027 -1.256 -1.913 1.00 . A A . 3 LEU HB3 1 1 3 301 1 1 3 LEU HD11 H 2.668 -0.727 0.326 1.00 . A A . 3 LEU HD11 1 1 3 302 1 1 3 LEU HD12 H 3.998 -1.096 -0.772 1.00 . A A . 3 LEU HD12 1 1 3 303 1 1 3 LEU HD13 H 3.144 -2.402 0.049 1.00 . A A . 3 LEU HD13 1 1 3 304 1 1 3 LEU HD21 H 2.200 -3.630 -1.261 1.00 . A A . 3 LEU HD21 1 1 3 305 1 1 3 LEU HD22 H 2.603 -3.103 -2.895 1.00 . A A . 3 LEU HD22 1 1 3 306 1 1 3 LEU HD23 H 0.920 -3.141 -2.371 1.00 . A A . 3 LEU HD23 1 1 3 307 1 1 3 LEU HG H 2.447 -0.917 -2.377 1.00 . A A . 3 LEU HG 1 1 3 308 1 1 3 LEU N N 0.874 0.899 0.420 1.00 . A A . 3 LEU N 1 1 3 309 1 1 3 LEU O O -1.634 1.287 -0.630 1.00 . A A . 3 LEU O 1 1 3 310 1 1 4 PRO C C -3.335 0.884 -2.985 1.00 . A A . 4 PRO C 1 1 3 311 1 1 4 PRO CA C -2.151 1.776 -3.334 1.00 . A A . 4 PRO CA 1 1 3 312 1 1 4 PRO CB C -1.892 1.745 -4.844 1.00 . A A . 4 PRO CB 1 1 3 313 1 1 4 PRO CD C 0.127 1.041 -3.794 1.00 . A A . 4 PRO CD 1 1 3 314 1 1 4 PRO CG C -0.410 1.793 -4.977 1.00 . A A . 4 PRO CG 1 1 3 315 1 1 4 PRO HA H -2.358 2.789 -3.020 1.00 . A A . 4 PRO HA 1 1 3 316 1 1 4 PRO HB2 H -2.298 0.834 -5.261 1.00 . A A . 4 PRO HB2 1 1 3 317 1 1 4 PRO HB3 H -2.358 2.600 -5.310 1.00 . A A . 4 PRO HB3 1 1 3 318 1 1 4 PRO HD2 H 0.211 -0.012 -4.022 1.00 . A A . 4 PRO HD2 1 1 3 319 1 1 4 PRO HD3 H 1.082 1.443 -3.492 1.00 . A A . 4 PRO HD3 1 1 3 320 1 1 4 PRO HG2 H -0.107 1.314 -5.897 1.00 . A A . 4 PRO HG2 1 1 3 321 1 1 4 PRO HG3 H -0.071 2.818 -4.956 1.00 . A A . 4 PRO HG3 1 1 3 322 1 1 4 PRO N N -0.896 1.278 -2.759 1.00 . A A . 4 PRO N 1 1 3 323 1 1 4 PRO O O -4.464 1.353 -2.846 1.00 . A A . 4 PRO O 1 1 3 324 1 1 5 TRP C C -3.916 -1.891 -1.088 1.00 . A A . 5 TRP C 1 1 3 325 1 1 5 TRP CA C -4.098 -1.379 -2.513 1.00 . A A . 5 TRP CA 1 1 3 326 1 1 5 TRP CB C -4.076 -2.552 -3.500 1.00 . A A . 5 TRP CB 1 1 3 327 1 1 5 TRP CD1 C -1.618 -3.278 -3.516 1.00 . A A . 5 TRP CD1 1 1 3 328 1 1 5 TRP CD2 C -2.368 -2.541 -5.491 1.00 . A A . 5 TRP CD2 1 1 3 329 1 1 5 TRP CE2 C -1.017 -2.909 -5.634 1.00 . A A . 5 TRP CE2 1 1 3 330 1 1 5 TRP CE3 C -3.053 -2.046 -6.604 1.00 . A A . 5 TRP CE3 1 1 3 331 1 1 5 TRP CG C -2.734 -2.789 -4.129 1.00 . A A . 5 TRP CG 1 1 3 332 1 1 5 TRP CH2 C -1.034 -2.311 -7.918 1.00 . A A . 5 TRP CH2 1 1 3 333 1 1 5 TRP CZ2 C -0.339 -2.798 -6.845 1.00 . A A . 5 TRP CZ2 1 1 3 334 1 1 5 TRP CZ3 C -2.379 -1.936 -7.805 1.00 . A A . 5 TRP CZ3 1 1 3 335 1 1 5 TRP H H -2.141 -0.716 -2.969 1.00 . A A . 5 TRP H 1 1 3 336 1 1 5 TRP HA H -5.054 -0.880 -2.582 1.00 . A A . 5 TRP HA 1 1 3 337 1 1 5 TRP HB2 H -4.363 -3.454 -2.982 1.00 . A A . 5 TRP HB2 1 1 3 338 1 1 5 TRP HB3 H -4.786 -2.358 -4.292 1.00 . A A . 5 TRP HB3 1 1 3 339 1 1 5 TRP HD1 H -1.571 -3.559 -2.475 1.00 . A A . 5 TRP HD1 1 1 3 340 1 1 5 TRP HE1 H 0.322 -3.679 -4.214 1.00 . A A . 5 TRP HE1 1 1 3 341 1 1 5 TRP HE3 H -4.088 -1.751 -6.535 1.00 . A A . 5 TRP HE3 1 1 3 342 1 1 5 TRP HH2 H -0.547 -2.206 -8.877 1.00 . A A . 5 TRP HH2 1 1 3 343 1 1 5 TRP HZ2 H 0.698 -3.083 -6.949 1.00 . A A . 5 TRP HZ2 1 1 3 344 1 1 5 TRP HZ3 H -2.892 -1.555 -8.676 1.00 . A A . 5 TRP HZ3 1 1 3 345 1 1 5 TRP N N -3.063 -0.408 -2.846 1.00 . A A . 5 TRP N 1 1 3 346 1 1 5 TRP NE1 N -0.581 -3.356 -4.414 1.00 . A A . 5 TRP NE1 1 1 3 347 1 1 5 TRP O O -4.224 -3.044 -0.786 1.00 . A A . 5 TRP O 1 1 3 348 1 1 6 SER C C -2.175 -2.510 1.302 1.00 . A A . 6 SER C 1 1 3 349 1 1 6 SER CA C -3.186 -1.375 1.179 1.00 . A A . 6 SER CA 1 1 3 350 1 1 6 SER CB C -4.502 -1.770 1.851 1.00 . A A . 6 SER CB 1 1 3 351 1 1 6 SER H H -3.188 -0.118 -0.522 1.00 . A A . 6 SER H 1 1 3 352 1 1 6 SER HA H -2.788 -0.504 1.678 1.00 . A A . 6 SER HA 1 1 3 353 1 1 6 SER HB2 H -4.421 -1.612 2.916 1.00 . A A . 6 SER HB2 1 1 3 354 1 1 6 SER HB3 H -5.301 -1.159 1.457 1.00 . A A . 6 SER HB3 1 1 3 355 1 1 6 SER HG H -5.498 -3.197 0.948 1.00 . A A . 6 SER HG 1 1 3 356 1 1 6 SER N N -3.413 -1.022 -0.217 1.00 . A A . 6 SER N 1 1 3 357 1 1 6 SER O O -2.419 -3.628 0.847 1.00 . A A . 6 SER O 1 1 3 358 1 1 6 SER OG O -4.811 -3.134 1.615 1.00 . A A . 6 SER OG 1 1 3 359 1 1 7 ASP C C 1.172 -2.603 2.910 1.00 . A A . 7 ASP C 1 1 3 360 1 1 7 ASP CA C 0.014 -3.201 2.118 1.00 . A A . 7 ASP CA 1 1 3 361 1 1 7 ASP CB C 0.513 -3.722 0.767 1.00 . A A . 7 ASP CB 1 1 3 362 1 1 7 ASP CG C 0.526 -5.236 0.700 1.00 . A A . 7 ASP CG 1 1 3 363 1 1 7 ASP H H -0.908 -1.304 2.267 1.00 . A A . 7 ASP H 1 1 3 364 1 1 7 ASP HA H -0.403 -4.024 2.679 1.00 . A A . 7 ASP HA 1 1 3 365 1 1 7 ASP HB2 H -0.133 -3.351 -0.015 1.00 . A A . 7 ASP HB2 1 1 3 366 1 1 7 ASP HB3 H 1.518 -3.363 0.598 1.00 . A A . 7 ASP HB3 1 1 3 367 1 1 7 ASP N N -1.040 -2.213 1.925 1.00 . A A . 7 ASP N 1 1 3 368 1 1 7 ASP O O 1.670 -1.526 2.581 1.00 . A A . 7 ASP O 1 1 3 369 1 1 7 ASP OD1 O -0.373 -5.865 1.296 1.00 . A A . 7 ASP OD1 1 1 3 370 1 1 7 ASP OD2 O 1.436 -5.794 0.051 1.00 . A A . 7 ASP OD2 1 1 3 371 1 1 8 GLY C C 3.961 -2.607 4.005 1.00 . A A . 8 GLY C 1 1 3 372 1 1 8 GLY CA C 2.681 -2.834 4.788 1.00 . A A . 8 GLY CA 1 1 3 373 1 1 8 GLY H H 1.149 -4.157 4.171 1.00 . A A . 8 GLY H 1 1 3 374 1 1 8 GLY HA2 H 2.388 -1.904 5.251 1.00 . A A . 8 GLY HA2 1 1 3 375 1 1 8 GLY HA3 H 2.871 -3.563 5.562 1.00 . A A . 8 GLY HA3 1 1 3 376 1 1 8 GLY N N 1.589 -3.308 3.957 1.00 . A A . 8 GLY N 1 1 3 377 1 1 8 GLY O O 4.450 -1.480 3.928 1.00 . A A . 8 GLY O 1 1 3 378 1 1 9 PRO C C 5.699 -2.479 1.562 1.00 . A A . 9 PRO C 1 1 3 379 1 1 9 PRO CA C 5.773 -3.565 2.630 1.00 . A A . 9 PRO CA 1 1 3 380 1 1 9 PRO CB C 5.920 -4.951 1.980 1.00 . A A . 9 PRO CB 1 1 3 381 1 1 9 PRO CD C 4.031 -5.046 3.445 1.00 . A A . 9 PRO CD 1 1 3 382 1 1 9 PRO CG C 4.611 -5.639 2.196 1.00 . A A . 9 PRO CG 1 1 3 383 1 1 9 PRO HA H 6.623 -3.375 3.269 1.00 . A A . 9 PRO HA 1 1 3 384 1 1 9 PRO HB2 H 6.133 -4.835 0.928 1.00 . A A . 9 PRO HB2 1 1 3 385 1 1 9 PRO HB3 H 6.727 -5.487 2.456 1.00 . A A . 9 PRO HB3 1 1 3 386 1 1 9 PRO HD2 H 2.952 -5.067 3.409 1.00 . A A . 9 PRO HD2 1 1 3 387 1 1 9 PRO HD3 H 4.394 -5.568 4.318 1.00 . A A . 9 PRO HD3 1 1 3 388 1 1 9 PRO HG2 H 3.957 -5.456 1.356 1.00 . A A . 9 PRO HG2 1 1 3 389 1 1 9 PRO HG3 H 4.771 -6.699 2.325 1.00 . A A . 9 PRO HG3 1 1 3 390 1 1 9 PRO N N 4.535 -3.667 3.409 1.00 . A A . 9 PRO N 1 1 3 391 1 1 9 PRO O O 5.310 -2.738 0.423 1.00 . A A . 9 PRO O 1 1 3 392 1 1 10 CYS C C 7.086 -0.317 -0.093 1.00 . A A . 10 CYS C 1 1 3 393 1 1 10 CYS CA C 6.054 -0.132 1.016 1.00 . A A . 10 CYS CA 1 1 3 394 1 1 10 CYS CB C 6.321 1.174 1.770 1.00 . A A . 10 CYS CB 1 1 3 395 1 1 10 CYS H H 6.377 -1.118 2.861 1.00 . A A . 10 CYS H 1 1 3 396 1 1 10 CYS HA H 5.071 -0.086 0.572 1.00 . A A . 10 CYS HA 1 1 3 397 1 1 10 CYS HB2 H 6.588 0.943 2.790 1.00 . A A . 10 CYS HB2 1 1 3 398 1 1 10 CYS HB3 H 7.141 1.695 1.298 1.00 . A A . 10 CYS HB3 1 1 3 399 1 1 10 CYS N N 6.076 -1.261 1.939 1.00 . A A . 10 CYS N 1 1 3 400 1 1 10 CYS O O 6.689 -0.704 -1.211 1.00 . A A . 10 CYS O 1 1 3 401 1 1 10 CYS OXT O 8.283 -0.071 0.167 1.00 . A A . 10 CYS OXT 1 1 3 402 1 1 10 CYS SG S 4.897 2.311 1.818 1.00 . A A . 10 CYS SG 1 1 4 403 1 1 1 ALA C C 1.505 3.814 2.327 1.00 . A A . 1 ALA C 1 1 4 404 1 1 1 ALA CA C 1.316 4.904 3.377 1.00 . A A . 1 ALA CA 1 1 4 405 1 1 1 ALA CB C -0.159 5.058 3.718 1.00 . A A . 1 ALA CB 1 1 4 406 1 1 1 ALA H1 H 1.617 6.311 1.907 1.00 . A A . 1 ALA H1 1 1 4 407 1 1 1 ALA H2 H 2.906 6.161 3.030 1.00 . A A . 1 ALA H2 1 1 4 408 1 1 1 ALA H3 H 1.454 6.953 3.487 1.00 . A A . 1 ALA H3 1 1 4 409 1 1 1 ALA HA H 1.839 4.614 4.277 1.00 . A A . 1 ALA HA 1 1 4 410 1 1 1 ALA HB1 H -0.645 4.096 3.657 1.00 . A A . 1 ALA HB1 1 1 4 411 1 1 1 ALA HB2 H -0.621 5.739 3.018 1.00 . A A . 1 ALA HB2 1 1 4 412 1 1 1 ALA HB3 H -0.258 5.449 4.719 1.00 . A A . 1 ALA HB3 1 1 4 413 1 1 1 ALA N N 1.874 6.199 2.908 1.00 . A A . 1 ALA N 1 1 4 414 1 1 1 ALA O O 1.850 4.099 1.180 1.00 . A A . 1 ALA O 1 1 4 415 1 1 2 CYS C C 0.621 1.607 0.564 1.00 . A A . 2 CYS C 1 1 4 416 1 1 2 CYS CA C 1.439 1.426 1.844 1.00 . A A . 2 CYS CA 1 1 4 417 1 1 2 CYS CB C 1.020 0.126 2.547 1.00 . A A . 2 CYS CB 1 1 4 418 1 1 2 CYS H H 1.032 2.402 3.655 1.00 . A A . 2 CYS H 1 1 4 419 1 1 2 CYS HA H 2.483 1.355 1.578 1.00 . A A . 2 CYS HA 1 1 4 420 1 1 2 CYS HB2 H 0.244 -0.355 1.974 1.00 . A A . 2 CYS HB2 1 1 4 421 1 1 2 CYS HB3 H 1.877 -0.513 2.583 1.00 . A A . 2 CYS HB3 1 1 4 422 1 1 2 CYS N N 1.288 2.565 2.732 1.00 . A A . 2 CYS N 1 1 4 423 1 1 2 CYS O O 0.112 2.691 0.284 1.00 . A A . 2 CYS O 1 1 4 424 1 1 2 CYS SG S 0.412 0.296 4.262 1.00 . A A . 2 CYS SG 1 1 4 425 1 1 3 LEU C C -1.668 1.086 -1.239 1.00 . A A . 3 LEU C 1 1 4 426 1 1 3 LEU CA C -0.250 0.561 -1.459 1.00 . A A . 3 LEU CA 1 1 4 427 1 1 3 LEU CB C -0.301 -0.841 -2.072 1.00 . A A . 3 LEU CB 1 1 4 428 1 1 3 LEU CD1 C 0.476 -0.965 -4.455 1.00 . A A . 3 LEU CD1 1 1 4 429 1 1 3 LEU CD2 C 2.118 -0.417 -2.649 1.00 . A A . 3 LEU CD2 1 1 4 430 1 1 3 LEU CG C 0.862 -1.204 -3.005 1.00 . A A . 3 LEU CG 1 1 4 431 1 1 3 LEU H H 0.928 -0.307 0.071 1.00 . A A . 3 LEU H 1 1 4 432 1 1 3 LEU HA H 0.265 1.223 -2.139 1.00 . A A . 3 LEU HA 1 1 4 433 1 1 3 LEU HB2 H -0.321 -1.558 -1.266 1.00 . A A . 3 LEU HB2 1 1 4 434 1 1 3 LEU HB3 H -1.221 -0.931 -2.631 1.00 . A A . 3 LEU HB3 1 1 4 435 1 1 3 LEU HD11 H 0.055 0.023 -4.557 1.00 . A A . 3 LEU HD11 1 1 4 436 1 1 3 LEU HD12 H -0.254 -1.701 -4.758 1.00 . A A . 3 LEU HD12 1 1 4 437 1 1 3 LEU HD13 H 1.353 -1.050 -5.079 1.00 . A A . 3 LEU HD13 1 1 4 438 1 1 3 LEU HD21 H 2.050 0.577 -3.067 1.00 . A A . 3 LEU HD21 1 1 4 439 1 1 3 LEU HD22 H 2.984 -0.919 -3.054 1.00 . A A . 3 LEU HD22 1 1 4 440 1 1 3 LEU HD23 H 2.209 -0.350 -1.575 1.00 . A A . 3 LEU HD23 1 1 4 441 1 1 3 LEU HG H 1.085 -2.255 -2.892 1.00 . A A . 3 LEU HG 1 1 4 442 1 1 3 LEU N N 0.501 0.531 -0.208 1.00 . A A . 3 LEU N 1 1 4 443 1 1 3 LEU O O -2.137 1.175 -0.104 1.00 . A A . 3 LEU O 1 1 4 444 1 1 4 PRO C C -4.652 1.046 -1.431 1.00 . A A . 4 PRO C 1 1 4 445 1 1 4 PRO CA C -3.743 1.952 -2.253 1.00 . A A . 4 PRO CA 1 1 4 446 1 1 4 PRO CB C -4.195 1.976 -3.714 1.00 . A A . 4 PRO CB 1 1 4 447 1 1 4 PRO CD C -1.888 1.359 -3.721 1.00 . A A . 4 PRO CD 1 1 4 448 1 1 4 PRO CG C -2.935 2.109 -4.496 1.00 . A A . 4 PRO CG 1 1 4 449 1 1 4 PRO HA H -3.770 2.953 -1.847 1.00 . A A . 4 PRO HA 1 1 4 450 1 1 4 PRO HB2 H -4.711 1.055 -3.949 1.00 . A A . 4 PRO HB2 1 1 4 451 1 1 4 PRO HB3 H -4.852 2.816 -3.878 1.00 . A A . 4 PRO HB3 1 1 4 452 1 1 4 PRO HD2 H -1.836 0.333 -4.054 1.00 . A A . 4 PRO HD2 1 1 4 453 1 1 4 PRO HD3 H -0.926 1.840 -3.822 1.00 . A A . 4 PRO HD3 1 1 4 454 1 1 4 PRO HG2 H -3.062 1.672 -5.476 1.00 . A A . 4 PRO HG2 1 1 4 455 1 1 4 PRO HG3 H -2.664 3.151 -4.581 1.00 . A A . 4 PRO HG3 1 1 4 456 1 1 4 PRO N N -2.372 1.438 -2.329 1.00 . A A . 4 PRO N 1 1 4 457 1 1 4 PRO O O -5.420 1.513 -0.590 1.00 . A A . 4 PRO O 1 1 4 458 1 1 5 TRP C C -4.491 -2.079 -0.044 1.00 . A A . 5 TRP C 1 1 4 459 1 1 5 TRP CA C -5.363 -1.236 -0.967 1.00 . A A . 5 TRP CA 1 1 4 460 1 1 5 TRP CB C -6.111 -2.140 -1.954 1.00 . A A . 5 TRP CB 1 1 4 461 1 1 5 TRP CD1 C -4.353 -3.237 -3.463 1.00 . A A . 5 TRP CD1 1 1 4 462 1 1 5 TRP CD2 C -5.605 -1.690 -4.486 1.00 . A A . 5 TRP CD2 1 1 4 463 1 1 5 TRP CE2 C -4.687 -2.211 -5.417 1.00 . A A . 5 TRP CE2 1 1 4 464 1 1 5 TRP CE3 C -6.499 -0.700 -4.904 1.00 . A A . 5 TRP CE3 1 1 4 465 1 1 5 TRP CG C -5.376 -2.361 -3.242 1.00 . A A . 5 TRP CG 1 1 4 466 1 1 5 TRP CH2 C -5.524 -0.805 -7.120 1.00 . A A . 5 TRP CH2 1 1 4 467 1 1 5 TRP CZ2 C -4.638 -1.775 -6.739 1.00 . A A . 5 TRP CZ2 1 1 4 468 1 1 5 TRP CZ3 C -6.449 -0.268 -6.216 1.00 . A A . 5 TRP CZ3 1 1 4 469 1 1 5 TRP H H -3.922 -0.563 -2.363 1.00 . A A . 5 TRP H 1 1 4 470 1 1 5 TRP HA H -6.083 -0.699 -0.369 1.00 . A A . 5 TRP HA 1 1 4 471 1 1 5 TRP HB2 H -6.274 -3.104 -1.495 1.00 . A A . 5 TRP HB2 1 1 4 472 1 1 5 TRP HB3 H -7.066 -1.693 -2.187 1.00 . A A . 5 TRP HB3 1 1 4 473 1 1 5 TRP HD1 H -3.943 -3.894 -2.710 1.00 . A A . 5 TRP HD1 1 1 4 474 1 1 5 TRP HE1 H -3.213 -3.684 -5.169 1.00 . A A . 5 TRP HE1 1 1 4 475 1 1 5 TRP HE3 H -7.220 -0.274 -4.221 1.00 . A A . 5 TRP HE3 1 1 4 476 1 1 5 TRP HH2 H -5.520 -0.437 -8.135 1.00 . A A . 5 TRP HH2 1 1 4 477 1 1 5 TRP HZ2 H -3.931 -2.179 -7.448 1.00 . A A . 5 TRP HZ2 1 1 4 478 1 1 5 TRP HZ3 H -7.132 0.497 -6.556 1.00 . A A . 5 TRP HZ3 1 1 4 479 1 1 5 TRP N N -4.555 -0.255 -1.682 1.00 . A A . 5 TRP N 1 1 4 480 1 1 5 TRP NE1 N -3.933 -3.154 -4.768 1.00 . A A . 5 TRP NE1 1 1 4 481 1 1 5 TRP O O -4.711 -3.280 0.113 1.00 . A A . 5 TRP O 1 1 4 482 1 1 6 SER C C -1.807 -3.213 0.750 1.00 . A A . 6 SER C 1 1 4 483 1 1 6 SER CA C -2.585 -2.119 1.473 1.00 . A A . 6 SER CA 1 1 4 484 1 1 6 SER CB C -3.354 -2.716 2.653 1.00 . A A . 6 SER CB 1 1 4 485 1 1 6 SER H H -3.375 -0.480 0.395 1.00 . A A . 6 SER H 1 1 4 486 1 1 6 SER HA H -1.885 -1.387 1.847 1.00 . A A . 6 SER HA 1 1 4 487 1 1 6 SER HB2 H -3.601 -1.930 3.351 1.00 . A A . 6 SER HB2 1 1 4 488 1 1 6 SER HB3 H -4.261 -3.176 2.293 1.00 . A A . 6 SER HB3 1 1 4 489 1 1 6 SER HG H -2.168 -3.302 4.099 1.00 . A A . 6 SER HG 1 1 4 490 1 1 6 SER N N -3.497 -1.438 0.564 1.00 . A A . 6 SER N 1 1 4 491 1 1 6 SER O O -2.359 -4.253 0.393 1.00 . A A . 6 SER O 1 1 4 492 1 1 6 SER OG O -2.580 -3.695 3.326 1.00 . A A . 6 SER OG 1 1 4 493 1 1 7 ASP C C 1.794 -3.443 -0.114 1.00 . A A . 7 ASP C 1 1 4 494 1 1 7 ASP CA C 0.347 -3.921 -0.140 1.00 . A A . 7 ASP CA 1 1 4 495 1 1 7 ASP CB C -0.116 -4.132 -1.585 1.00 . A A . 7 ASP CB 1 1 4 496 1 1 7 ASP CG C -0.802 -5.469 -1.781 1.00 . A A . 7 ASP CG 1 1 4 497 1 1 7 ASP H H -0.140 -2.117 0.849 1.00 . A A . 7 ASP H 1 1 4 498 1 1 7 ASP HA H 0.282 -4.859 0.389 1.00 . A A . 7 ASP HA 1 1 4 499 1 1 7 ASP HB2 H -0.811 -3.351 -1.852 1.00 . A A . 7 ASP HB2 1 1 4 500 1 1 7 ASP HB3 H 0.740 -4.088 -2.242 1.00 . A A . 7 ASP HB3 1 1 4 501 1 1 7 ASP N N -0.519 -2.966 0.539 1.00 . A A . 7 ASP N 1 1 4 502 1 1 7 ASP O O 2.097 -2.327 -0.537 1.00 . A A . 7 ASP O 1 1 4 503 1 1 7 ASP OD1 O -0.097 -6.500 -1.813 1.00 . A A . 7 ASP OD1 1 1 4 504 1 1 7 ASP OD2 O -2.045 -5.486 -1.903 1.00 . A A . 7 ASP OD2 1 1 4 505 1 1 8 GLY C C 4.487 -3.470 1.861 1.00 . A A . 8 GLY C 1 1 4 506 1 1 8 GLY CA C 4.087 -3.934 0.472 1.00 . A A . 8 GLY CA 1 1 4 507 1 1 8 GLY H H 2.382 -5.164 0.720 1.00 . A A . 8 GLY H 1 1 4 508 1 1 8 GLY HA2 H 4.682 -4.796 0.206 1.00 . A A . 8 GLY HA2 1 1 4 509 1 1 8 GLY HA3 H 4.287 -3.140 -0.232 1.00 . A A . 8 GLY HA3 1 1 4 510 1 1 8 GLY N N 2.683 -4.291 0.393 1.00 . A A . 8 GLY N 1 1 4 511 1 1 8 GLY O O 3.732 -3.650 2.816 1.00 . A A . 8 GLY O 1 1 4 512 1 1 9 PRO C C 5.396 -1.149 3.784 1.00 . A A . 9 PRO C 1 1 4 513 1 1 9 PRO CA C 6.162 -2.378 3.302 1.00 . A A . 9 PRO CA 1 1 4 514 1 1 9 PRO CB C 7.623 -2.021 3.022 1.00 . A A . 9 PRO CB 1 1 4 515 1 1 9 PRO CD C 6.644 -2.608 0.921 1.00 . A A . 9 PRO CD 1 1 4 516 1 1 9 PRO CG C 7.664 -1.711 1.566 1.00 . A A . 9 PRO CG 1 1 4 517 1 1 9 PRO HA H 6.115 -3.149 4.057 1.00 . A A . 9 PRO HA 1 1 4 518 1 1 9 PRO HB2 H 7.907 -1.165 3.618 1.00 . A A . 9 PRO HB2 1 1 4 519 1 1 9 PRO HB3 H 8.255 -2.862 3.264 1.00 . A A . 9 PRO HB3 1 1 4 520 1 1 9 PRO HD2 H 6.168 -2.104 0.093 1.00 . A A . 9 PRO HD2 1 1 4 521 1 1 9 PRO HD3 H 7.104 -3.528 0.591 1.00 . A A . 9 PRO HD3 1 1 4 522 1 1 9 PRO HG2 H 7.408 -0.674 1.404 1.00 . A A . 9 PRO HG2 1 1 4 523 1 1 9 PRO HG3 H 8.648 -1.921 1.174 1.00 . A A . 9 PRO HG3 1 1 4 524 1 1 9 PRO N N 5.677 -2.865 2.006 1.00 . A A . 9 PRO N 1 1 4 525 1 1 9 PRO O O 5.640 -0.034 3.323 1.00 . A A . 9 PRO O 1 1 4 526 1 1 10 CYS C C 4.538 0.679 6.085 1.00 . A A . 10 CYS C 1 1 4 527 1 1 10 CYS CA C 3.672 -0.268 5.261 1.00 . A A . 10 CYS CA 1 1 4 528 1 1 10 CYS CB C 2.536 -0.820 6.125 1.00 . A A . 10 CYS CB 1 1 4 529 1 1 10 CYS H H 4.324 -2.272 5.045 1.00 . A A . 10 CYS H 1 1 4 530 1 1 10 CYS HA H 3.249 0.279 4.432 1.00 . A A . 10 CYS HA 1 1 4 531 1 1 10 CYS HB2 H 2.903 -1.660 6.695 1.00 . A A . 10 CYS HB2 1 1 4 532 1 1 10 CYS HB3 H 2.205 -0.048 6.805 1.00 . A A . 10 CYS HB3 1 1 4 533 1 1 10 CYS N N 4.471 -1.360 4.716 1.00 . A A . 10 CYS N 1 1 4 534 1 1 10 CYS O O 4.656 0.458 7.308 1.00 . A A . 10 CYS O 1 1 4 535 1 1 10 CYS OXT O 5.091 1.634 5.500 1.00 . A A . 10 CYS OXT 1 1 4 536 1 1 10 CYS SG S 1.085 -1.386 5.178 1.00 . A A . 10 CYS SG 1 1 5 537 1 1 1 ALA C C 0.327 3.010 2.339 1.00 . A A . 1 ALA C 1 1 5 538 1 1 1 ALA CA C -0.692 3.168 3.462 1.00 . A A . 1 ALA CA 1 1 5 539 1 1 1 ALA CB C -1.722 4.226 3.095 1.00 . A A . 1 ALA CB 1 1 5 540 1 1 1 ALA H1 H -0.757 3.854 5.400 1.00 . A A . 1 ALA H1 1 1 5 541 1 1 1 ALA H2 H 0.667 4.273 4.539 1.00 . A A . 1 ALA H2 1 1 5 542 1 1 1 ALA H3 H 0.443 2.667 5.102 1.00 . A A . 1 ALA H3 1 1 5 543 1 1 1 ALA HA H -1.210 2.230 3.597 1.00 . A A . 1 ALA HA 1 1 5 544 1 1 1 ALA HB1 H -1.217 5.138 2.813 1.00 . A A . 1 ALA HB1 1 1 5 545 1 1 1 ALA HB2 H -2.361 4.416 3.944 1.00 . A A . 1 ALA HB2 1 1 5 546 1 1 1 ALA HB3 H -2.320 3.875 2.266 1.00 . A A . 1 ALA HB3 1 1 5 547 1 1 1 ALA N N -0.025 3.523 4.741 1.00 . A A . 1 ALA N 1 1 5 548 1 1 1 ALA O O 0.674 3.978 1.661 1.00 . A A . 1 ALA O 1 1 5 549 1 1 2 CYS C C 1.114 1.279 -0.228 1.00 . A A . 2 CYS C 1 1 5 550 1 1 2 CYS CA C 1.778 1.493 1.117 1.00 . A A . 2 CYS CA 1 1 5 551 1 1 2 CYS CB C 2.594 0.268 1.529 1.00 . A A . 2 CYS CB 1 1 5 552 1 1 2 CYS H H 0.494 1.051 2.716 1.00 . A A . 2 CYS H 1 1 5 553 1 1 2 CYS HA H 2.424 2.316 1.032 1.00 . A A . 2 CYS HA 1 1 5 554 1 1 2 CYS HB2 H 2.251 -0.069 2.497 1.00 . A A . 2 CYS HB2 1 1 5 555 1 1 2 CYS HB3 H 2.440 -0.515 0.813 1.00 . A A . 2 CYS HB3 1 1 5 556 1 1 2 CYS N N 0.804 1.784 2.148 1.00 . A A . 2 CYS N 1 1 5 557 1 1 2 CYS O O 1.108 2.156 -1.092 1.00 . A A . 2 CYS O 1 1 5 558 1 1 2 CYS SG S 4.385 0.574 1.662 1.00 . A A . 2 CYS SG 1 1 5 559 1 1 3 LEU C C -1.350 0.592 -1.847 1.00 . A A . 3 LEU C 1 1 5 560 1 1 3 LEU CA C -0.120 -0.281 -1.608 1.00 . A A . 3 LEU CA 1 1 5 561 1 1 3 LEU CB C -0.525 -1.756 -1.548 1.00 . A A . 3 LEU CB 1 1 5 562 1 1 3 LEU CD1 C 0.094 -4.167 -1.854 1.00 . A A . 3 LEU CD1 1 1 5 563 1 1 3 LEU CD2 C 0.611 -2.508 -3.651 1.00 . A A . 3 LEU CD2 1 1 5 564 1 1 3 LEU CG C 0.489 -2.729 -2.151 1.00 . A A . 3 LEU CG 1 1 5 565 1 1 3 LEU H H 0.626 -0.514 0.361 1.00 . A A . 3 LEU H 1 1 5 566 1 1 3 LEU HA H 0.568 -0.141 -2.427 1.00 . A A . 3 LEU HA 1 1 5 567 1 1 3 LEU HB2 H -0.679 -2.022 -0.512 1.00 . A A . 3 LEU HB2 1 1 5 568 1 1 3 LEU HB3 H -1.460 -1.873 -2.075 1.00 . A A . 3 LEU HB3 1 1 5 569 1 1 3 LEU HD11 H 0.029 -4.309 -0.785 1.00 . A A . 3 LEU HD11 1 1 5 570 1 1 3 LEU HD12 H 0.837 -4.836 -2.261 1.00 . A A . 3 LEU HD12 1 1 5 571 1 1 3 LEU HD13 H -0.865 -4.377 -2.304 1.00 . A A . 3 LEU HD13 1 1 5 572 1 1 3 LEU HD21 H 1.347 -3.187 -4.056 1.00 . A A . 3 LEU HD21 1 1 5 573 1 1 3 LEU HD22 H 0.917 -1.490 -3.842 1.00 . A A . 3 LEU HD22 1 1 5 574 1 1 3 LEU HD23 H -0.344 -2.692 -4.121 1.00 . A A . 3 LEU HD23 1 1 5 575 1 1 3 LEU HG H 1.457 -2.551 -1.706 1.00 . A A . 3 LEU HG 1 1 5 576 1 1 3 LEU N N 0.564 0.108 -0.380 1.00 . A A . 3 LEU N 1 1 5 577 1 1 3 LEU O O -1.907 1.166 -0.911 1.00 . A A . 3 LEU O 1 1 5 578 1 1 4 PRO C C -4.196 1.165 -2.661 1.00 . A A . 4 PRO C 1 1 5 579 1 1 4 PRO CA C -2.956 1.516 -3.478 1.00 . A A . 4 PRO CA 1 1 5 580 1 1 4 PRO CB C -3.177 1.179 -4.954 1.00 . A A . 4 PRO CB 1 1 5 581 1 1 4 PRO CD C -1.178 0.055 -4.287 1.00 . A A . 4 PRO CD 1 1 5 582 1 1 4 PRO CG C -1.842 0.742 -5.448 1.00 . A A . 4 PRO CG 1 1 5 583 1 1 4 PRO HA H -2.749 2.571 -3.375 1.00 . A A . 4 PRO HA 1 1 5 584 1 1 4 PRO HB2 H -3.909 0.390 -5.040 1.00 . A A . 4 PRO HB2 1 1 5 585 1 1 4 PRO HB3 H -3.522 2.057 -5.479 1.00 . A A . 4 PRO HB3 1 1 5 586 1 1 4 PRO HD2 H -1.396 -1.003 -4.300 1.00 . A A . 4 PRO HD2 1 1 5 587 1 1 4 PRO HD3 H -0.111 0.222 -4.309 1.00 . A A . 4 PRO HD3 1 1 5 588 1 1 4 PRO HG2 H -1.962 0.053 -6.272 1.00 . A A . 4 PRO HG2 1 1 5 589 1 1 4 PRO HG3 H -1.264 1.600 -5.755 1.00 . A A . 4 PRO HG3 1 1 5 590 1 1 4 PRO N N -1.789 0.705 -3.112 1.00 . A A . 4 PRO N 1 1 5 591 1 1 4 PRO O O -4.894 2.049 -2.166 1.00 . A A . 4 PRO O 1 1 5 592 1 1 5 TRP C C -5.227 -1.476 -0.604 1.00 . A A . 5 TRP C 1 1 5 593 1 1 5 TRP CA C -5.635 -0.589 -1.777 1.00 . A A . 5 TRP CA 1 1 5 594 1 1 5 TRP CB C -6.599 -1.350 -2.694 1.00 . A A . 5 TRP CB 1 1 5 595 1 1 5 TRP CD1 C -5.340 -3.341 -3.705 1.00 . A A . 5 TRP CD1 1 1 5 596 1 1 5 TRP CD2 C -5.729 -1.671 -5.145 1.00 . A A . 5 TRP CD2 1 1 5 597 1 1 5 TRP CE2 C -5.037 -2.693 -5.820 1.00 . A A . 5 TRP CE2 1 1 5 598 1 1 5 TRP CE3 C -6.084 -0.517 -5.850 1.00 . A A . 5 TRP CE3 1 1 5 599 1 1 5 TRP CG C -5.914 -2.105 -3.793 1.00 . A A . 5 TRP CG 1 1 5 600 1 1 5 TRP CH2 C -5.051 -1.456 -7.832 1.00 . A A . 5 TRP CH2 1 1 5 601 1 1 5 TRP CZ2 C -4.692 -2.596 -7.166 1.00 . A A . 5 TRP CZ2 1 1 5 602 1 1 5 TRP CZ3 C -5.741 -0.422 -7.186 1.00 . A A . 5 TRP CZ3 1 1 5 603 1 1 5 TRP H H -3.881 -0.790 -2.951 1.00 . A A . 5 TRP H 1 1 5 604 1 1 5 TRP HA H -6.140 0.283 -1.390 1.00 . A A . 5 TRP HA 1 1 5 605 1 1 5 TRP HB2 H -7.161 -2.059 -2.104 1.00 . A A . 5 TRP HB2 1 1 5 606 1 1 5 TRP HB3 H -7.282 -0.647 -3.147 1.00 . A A . 5 TRP HB3 1 1 5 607 1 1 5 TRP HD1 H -5.313 -3.937 -2.805 1.00 . A A . 5 TRP HD1 1 1 5 608 1 1 5 TRP HE1 H -4.346 -4.544 -5.112 1.00 . A A . 5 TRP HE1 1 1 5 609 1 1 5 TRP HE3 H -6.616 0.291 -5.369 1.00 . A A . 5 TRP HE3 1 1 5 610 1 1 5 TRP HH2 H -4.803 -1.338 -8.876 1.00 . A A . 5 TRP HH2 1 1 5 611 1 1 5 TRP HZ2 H -4.161 -3.384 -7.679 1.00 . A A . 5 TRP HZ2 1 1 5 612 1 1 5 TRP HZ3 H -6.006 0.462 -7.746 1.00 . A A . 5 TRP HZ3 1 1 5 613 1 1 5 TRP N N -4.470 -0.129 -2.530 1.00 . A A . 5 TRP N 1 1 5 614 1 1 5 TRP NE1 N -4.810 -3.702 -4.920 1.00 . A A . 5 TRP NE1 1 1 5 615 1 1 5 TRP O O -6.030 -2.264 -0.104 1.00 . A A . 5 TRP O 1 1 5 616 1 1 6 SER C C -2.178 -1.522 1.479 1.00 . A A . 6 SER C 1 1 5 617 1 1 6 SER CA C -3.475 -2.131 0.946 1.00 . A A . 6 SER CA 1 1 5 618 1 1 6 SER CB C -3.263 -3.583 0.505 1.00 . A A . 6 SER CB 1 1 5 619 1 1 6 SER H H -3.380 -0.704 -0.597 1.00 . A A . 6 SER H 1 1 5 620 1 1 6 SER HA H -4.214 -2.108 1.731 1.00 . A A . 6 SER HA 1 1 5 621 1 1 6 SER HB2 H -3.155 -4.210 1.377 1.00 . A A . 6 SER HB2 1 1 5 622 1 1 6 SER HB3 H -4.116 -3.911 -0.070 1.00 . A A . 6 SER HB3 1 1 5 623 1 1 6 SER HG H -1.899 -4.641 -0.420 1.00 . A A . 6 SER HG 1 1 5 624 1 1 6 SER N N -3.979 -1.345 -0.165 1.00 . A A . 6 SER N 1 1 5 625 1 1 6 SER O O -2.020 -0.301 1.495 1.00 . A A . 6 SER O 1 1 5 626 1 1 6 SER OG O -2.099 -3.711 -0.292 1.00 . A A . 6 SER OG 1 1 5 627 1 1 7 ASP C C 1.177 -2.617 1.734 1.00 . A A . 7 ASP C 1 1 5 628 1 1 7 ASP CA C 0.017 -1.913 2.447 1.00 . A A . 7 ASP CA 1 1 5 629 1 1 7 ASP CB C 0.063 -2.160 3.960 1.00 . A A . 7 ASP CB 1 1 5 630 1 1 7 ASP CG C 0.109 -3.636 4.307 1.00 . A A . 7 ASP CG 1 1 5 631 1 1 7 ASP H H -1.441 -3.326 1.877 1.00 . A A . 7 ASP H 1 1 5 632 1 1 7 ASP HA H 0.090 -0.852 2.262 1.00 . A A . 7 ASP HA 1 1 5 633 1 1 7 ASP HB2 H 0.941 -1.685 4.371 1.00 . A A . 7 ASP HB2 1 1 5 634 1 1 7 ASP HB3 H -0.818 -1.731 4.414 1.00 . A A . 7 ASP HB3 1 1 5 635 1 1 7 ASP N N -1.258 -2.370 1.914 1.00 . A A . 7 ASP N 1 1 5 636 1 1 7 ASP O O 1.111 -2.861 0.530 1.00 . A A . 7 ASP O 1 1 5 637 1 1 7 ASP OD1 O -0.293 -4.459 3.457 1.00 . A A . 7 ASP OD1 1 1 5 638 1 1 7 ASP OD2 O 0.547 -3.969 5.428 1.00 . A A . 7 ASP OD2 1 1 5 639 1 1 8 GLY C C 4.694 -3.171 2.499 1.00 . A A . 8 GLY C 1 1 5 640 1 1 8 GLY CA C 3.378 -3.607 1.877 1.00 . A A . 8 GLY CA 1 1 5 641 1 1 8 GLY H H 2.243 -2.724 3.426 1.00 . A A . 8 GLY H 1 1 5 642 1 1 8 GLY HA2 H 3.266 -4.673 2.009 1.00 . A A . 8 GLY HA2 1 1 5 643 1 1 8 GLY HA3 H 3.398 -3.386 0.821 1.00 . A A . 8 GLY HA3 1 1 5 644 1 1 8 GLY N N 2.236 -2.939 2.473 1.00 . A A . 8 GLY N 1 1 5 645 1 1 8 GLY O O 4.864 -3.264 3.715 1.00 . A A . 8 GLY O 1 1 5 646 1 1 9 PRO C C 6.858 -0.941 2.984 1.00 . A A . 9 PRO C 1 1 5 647 1 1 9 PRO CA C 6.957 -2.242 2.193 1.00 . A A . 9 PRO CA 1 1 5 648 1 1 9 PRO CB C 7.778 -2.035 0.919 1.00 . A A . 9 PRO CB 1 1 5 649 1 1 9 PRO CD C 5.547 -2.538 0.225 1.00 . A A . 9 PRO CD 1 1 5 650 1 1 9 PRO CG C 6.770 -1.743 -0.138 1.00 . A A . 9 PRO CG 1 1 5 651 1 1 9 PRO HA H 7.423 -2.999 2.806 1.00 . A A . 9 PRO HA 1 1 5 652 1 1 9 PRO HB2 H 8.459 -1.207 1.057 1.00 . A A . 9 PRO HB2 1 1 5 653 1 1 9 PRO HB3 H 8.334 -2.933 0.696 1.00 . A A . 9 PRO HB3 1 1 5 654 1 1 9 PRO HD2 H 4.652 -1.996 -0.043 1.00 . A A . 9 PRO HD2 1 1 5 655 1 1 9 PRO HD3 H 5.565 -3.502 -0.263 1.00 . A A . 9 PRO HD3 1 1 5 656 1 1 9 PRO HG2 H 6.543 -0.687 -0.146 1.00 . A A . 9 PRO HG2 1 1 5 657 1 1 9 PRO HG3 H 7.148 -2.054 -1.101 1.00 . A A . 9 PRO HG3 1 1 5 658 1 1 9 PRO N N 5.654 -2.688 1.689 1.00 . A A . 9 PRO N 1 1 5 659 1 1 9 PRO O O 7.435 0.077 2.600 1.00 . A A . 9 PRO O 1 1 5 660 1 1 10 CYS C C 6.078 -0.173 6.411 1.00 . A A . 10 CYS C 1 1 5 661 1 1 10 CYS CA C 5.949 0.194 4.936 1.00 . A A . 10 CYS CA 1 1 5 662 1 1 10 CYS CB C 4.587 0.839 4.676 1.00 . A A . 10 CYS CB 1 1 5 663 1 1 10 CYS H H 5.688 -1.822 4.345 1.00 . A A . 10 CYS H 1 1 5 664 1 1 10 CYS HA H 6.726 0.901 4.685 1.00 . A A . 10 CYS HA 1 1 5 665 1 1 10 CYS HB2 H 3.848 0.062 4.550 1.00 . A A . 10 CYS HB2 1 1 5 666 1 1 10 CYS HB3 H 4.318 1.449 5.526 1.00 . A A . 10 CYS HB3 1 1 5 667 1 1 10 CYS N N 6.123 -0.981 4.091 1.00 . A A . 10 CYS N 1 1 5 668 1 1 10 CYS O O 5.607 0.615 7.259 1.00 . A A . 10 CYS O 1 1 5 669 1 1 10 CYS OXT O 6.647 -1.245 6.707 1.00 . A A . 10 CYS OXT 1 1 5 670 1 1 10 CYS SG S 4.537 1.896 3.194 1.00 . A A . 10 CYS SG 1 1 6 671 1 1 1 ALA C C 2.373 2.411 0.860 1.00 . A A . 1 ALA C 1 1 6 672 1 1 1 ALA CA C 3.588 3.274 0.540 1.00 . A A . 1 ALA CA 1 1 6 673 1 1 1 ALA CB C 3.354 4.703 1.007 1.00 . A A . 1 ALA CB 1 1 6 674 1 1 1 ALA H1 H 4.072 2.264 -1.185 1.00 . A A . 1 ALA H1 1 1 6 675 1 1 1 ALA H2 H 4.733 3.844 -1.071 1.00 . A A . 1 ALA H2 1 1 6 676 1 1 1 ALA H3 H 3.065 3.631 -1.417 1.00 . A A . 1 ALA H3 1 1 6 677 1 1 1 ALA HA H 4.443 2.884 1.072 1.00 . A A . 1 ALA HA 1 1 6 678 1 1 1 ALA HB1 H 3.739 4.821 2.009 1.00 . A A . 1 ALA HB1 1 1 6 679 1 1 1 ALA HB2 H 2.295 4.914 1.001 1.00 . A A . 1 ALA HB2 1 1 6 680 1 1 1 ALA HB3 H 3.862 5.387 0.343 1.00 . A A . 1 ALA HB3 1 1 6 681 1 1 1 ALA N N 3.892 3.251 -0.914 1.00 . A A . 1 ALA N 1 1 6 682 1 1 1 ALA O O 1.472 2.261 0.036 1.00 . A A . 1 ALA O 1 1 6 683 1 1 2 CYS C C -0.087 1.577 2.150 1.00 . A A . 2 CYS C 1 1 6 684 1 1 2 CYS CA C 1.274 0.980 2.502 1.00 . A A . 2 CYS CA 1 1 6 685 1 1 2 CYS CB C 1.355 0.732 4.013 1.00 . A A . 2 CYS CB 1 1 6 686 1 1 2 CYS H H 3.113 1.982 2.663 1.00 . A A . 2 CYS H 1 1 6 687 1 1 2 CYS HA H 1.376 0.037 1.993 1.00 . A A . 2 CYS HA 1 1 6 688 1 1 2 CYS HB2 H 0.435 1.047 4.477 1.00 . A A . 2 CYS HB2 1 1 6 689 1 1 2 CYS HB3 H 1.480 -0.321 4.162 1.00 . A A . 2 CYS HB3 1 1 6 690 1 1 2 CYS N N 2.363 1.836 2.060 1.00 . A A . 2 CYS N 1 1 6 691 1 1 2 CYS O O -0.569 2.488 2.823 1.00 . A A . 2 CYS O 1 1 6 692 1 1 2 CYS SG S 2.727 1.564 4.889 1.00 . A A . 2 CYS SG 1 1 6 693 1 1 3 LEU C C -3.027 0.411 0.570 1.00 . A A . 3 LEU C 1 1 6 694 1 1 3 LEU CA C -2.002 1.544 0.644 1.00 . A A . 3 LEU CA 1 1 6 695 1 1 3 LEU CB C -1.875 2.225 -0.718 1.00 . A A . 3 LEU CB 1 1 6 696 1 1 3 LEU CD1 C -0.703 3.973 -2.077 1.00 . A A . 3 LEU CD1 1 1 6 697 1 1 3 LEU CD2 C -2.132 4.642 -0.134 1.00 . A A . 3 LEU CD2 1 1 6 698 1 1 3 LEU CG C -1.188 3.588 -0.689 1.00 . A A . 3 LEU CG 1 1 6 699 1 1 3 LEU H H -0.256 0.336 0.592 1.00 . A A . 3 LEU H 1 1 6 700 1 1 3 LEU HA H -2.345 2.271 1.366 1.00 . A A . 3 LEU HA 1 1 6 701 1 1 3 LEU HB2 H -1.316 1.574 -1.372 1.00 . A A . 3 LEU HB2 1 1 6 702 1 1 3 LEU HB3 H -2.866 2.354 -1.126 1.00 . A A . 3 LEU HB3 1 1 6 703 1 1 3 LEU HD11 H 0.188 4.578 -1.992 1.00 . A A . 3 LEU HD11 1 1 6 704 1 1 3 LEU HD12 H -1.472 4.536 -2.584 1.00 . A A . 3 LEU HD12 1 1 6 705 1 1 3 LEU HD13 H -0.479 3.080 -2.640 1.00 . A A . 3 LEU HD13 1 1 6 706 1 1 3 LEU HD21 H -2.858 4.169 0.511 1.00 . A A . 3 LEU HD21 1 1 6 707 1 1 3 LEU HD22 H -2.641 5.134 -0.949 1.00 . A A . 3 LEU HD22 1 1 6 708 1 1 3 LEU HD23 H -1.568 5.369 0.431 1.00 . A A . 3 LEU HD23 1 1 6 709 1 1 3 LEU HG H -0.327 3.535 -0.038 1.00 . A A . 3 LEU HG 1 1 6 710 1 1 3 LEU N N -0.697 1.059 1.089 1.00 . A A . 3 LEU N 1 1 6 711 1 1 3 LEU O O -2.666 -0.764 0.531 1.00 . A A . 3 LEU O 1 1 6 712 1 1 4 PRO C C -5.273 -1.173 -0.714 1.00 . A A . 4 PRO C 1 1 6 713 1 1 4 PRO CA C -5.412 -0.237 0.482 1.00 . A A . 4 PRO CA 1 1 6 714 1 1 4 PRO CB C -6.674 0.620 0.342 1.00 . A A . 4 PRO CB 1 1 6 715 1 1 4 PRO CD C -4.849 2.134 0.589 1.00 . A A . 4 PRO CD 1 1 6 716 1 1 4 PRO CG C -6.301 1.941 0.918 1.00 . A A . 4 PRO CG 1 1 6 717 1 1 4 PRO HA H -5.469 -0.821 1.388 1.00 . A A . 4 PRO HA 1 1 6 718 1 1 4 PRO HB2 H -6.941 0.704 -0.701 1.00 . A A . 4 PRO HB2 1 1 6 719 1 1 4 PRO HB3 H -7.484 0.164 0.892 1.00 . A A . 4 PRO HB3 1 1 6 720 1 1 4 PRO HD2 H -4.740 2.616 -0.372 1.00 . A A . 4 PRO HD2 1 1 6 721 1 1 4 PRO HD3 H -4.359 2.709 1.360 1.00 . A A . 4 PRO HD3 1 1 6 722 1 1 4 PRO HG2 H -6.896 2.721 0.466 1.00 . A A . 4 PRO HG2 1 1 6 723 1 1 4 PRO HG3 H -6.445 1.930 1.989 1.00 . A A . 4 PRO HG3 1 1 6 724 1 1 4 PRO N N -4.329 0.754 0.549 1.00 . A A . 4 PRO N 1 1 6 725 1 1 4 PRO O O -5.100 -2.381 -0.553 1.00 . A A . 4 PRO O 1 1 6 726 1 1 5 TRP C C -3.756 -1.722 -3.431 1.00 . A A . 5 TRP C 1 1 6 727 1 1 5 TRP CA C -5.220 -1.391 -3.140 1.00 . A A . 5 TRP CA 1 1 6 728 1 1 5 TRP CB C -5.842 -0.657 -4.340 1.00 . A A . 5 TRP CB 1 1 6 729 1 1 5 TRP CD1 C -7.240 1.459 -3.968 1.00 . A A . 5 TRP CD1 1 1 6 730 1 1 5 TRP CD2 C -5.033 1.819 -4.041 1.00 . A A . 5 TRP CD2 1 1 6 731 1 1 5 TRP CE2 C -5.682 3.051 -3.836 1.00 . A A . 5 TRP CE2 1 1 6 732 1 1 5 TRP CE3 C -3.639 1.797 -4.120 1.00 . A A . 5 TRP CE3 1 1 6 733 1 1 5 TRP CG C -6.048 0.814 -4.125 1.00 . A A . 5 TRP CG 1 1 6 734 1 1 5 TRP CH2 C -3.619 4.198 -3.791 1.00 . A A . 5 TRP CH2 1 1 6 735 1 1 5 TRP CZ2 C -4.983 4.249 -3.709 1.00 . A A . 5 TRP CZ2 1 1 6 736 1 1 5 TRP CZ3 C -2.946 2.986 -3.994 1.00 . A A . 5 TRP CZ3 1 1 6 737 1 1 5 TRP H H -5.477 0.363 -1.972 1.00 . A A . 5 TRP H 1 1 6 738 1 1 5 TRP HA H -5.754 -2.317 -2.986 1.00 . A A . 5 TRP HA 1 1 6 739 1 1 5 TRP HB2 H -5.197 -0.777 -5.197 1.00 . A A . 5 TRP HB2 1 1 6 740 1 1 5 TRP HB3 H -6.803 -1.099 -4.559 1.00 . A A . 5 TRP HB3 1 1 6 741 1 1 5 TRP HD1 H -8.202 0.970 -3.980 1.00 . A A . 5 TRP HD1 1 1 6 742 1 1 5 TRP HE1 H -7.728 3.479 -3.663 1.00 . A A . 5 TRP HE1 1 1 6 743 1 1 5 TRP HE3 H -3.104 0.872 -4.276 1.00 . A A . 5 TRP HE3 1 1 6 744 1 1 5 TRP HH2 H -3.037 5.103 -3.699 1.00 . A A . 5 TRP HH2 1 1 6 745 1 1 5 TRP HZ2 H -5.487 5.191 -3.551 1.00 . A A . 5 TRP HZ2 1 1 6 746 1 1 5 TRP HZ3 H -1.868 2.989 -4.054 1.00 . A A . 5 TRP HZ3 1 1 6 747 1 1 5 TRP N N -5.344 -0.605 -1.913 1.00 . A A . 5 TRP N 1 1 6 748 1 1 5 TRP NE1 N -7.029 2.805 -3.795 1.00 . A A . 5 TRP NE1 1 1 6 749 1 1 5 TRP O O -3.449 -2.423 -4.395 1.00 . A A . 5 TRP O 1 1 6 750 1 1 6 SER C C -0.722 -1.256 -1.413 1.00 . A A . 6 SER C 1 1 6 751 1 1 6 SER CA C -1.432 -1.467 -2.744 1.00 . A A . 6 SER CA 1 1 6 752 1 1 6 SER CB C -0.842 -0.542 -3.810 1.00 . A A . 6 SER CB 1 1 6 753 1 1 6 SER H H -3.162 -0.674 -1.834 1.00 . A A . 6 SER H 1 1 6 754 1 1 6 SER HA H -1.303 -2.493 -3.052 1.00 . A A . 6 SER HA 1 1 6 755 1 1 6 SER HB2 H 0.212 -0.749 -3.920 1.00 . A A . 6 SER HB2 1 1 6 756 1 1 6 SER HB3 H -1.342 -0.716 -4.751 1.00 . A A . 6 SER HB3 1 1 6 757 1 1 6 SER HG H -0.719 1.377 -4.180 1.00 . A A . 6 SER HG 1 1 6 758 1 1 6 SER N N -2.858 -1.220 -2.587 1.00 . A A . 6 SER N 1 1 6 759 1 1 6 SER O O -0.079 -0.230 -1.198 1.00 . A A . 6 SER O 1 1 6 760 1 1 6 SER OG O -1.003 0.819 -3.452 1.00 . A A . 6 SER OG 1 1 6 761 1 1 7 ASP C C 1.269 -1.968 0.703 1.00 . A A . 7 ASP C 1 1 6 762 1 1 7 ASP CA C -0.252 -2.155 0.804 1.00 . A A . 7 ASP CA 1 1 6 763 1 1 7 ASP CB C -0.614 -3.405 1.616 1.00 . A A . 7 ASP CB 1 1 6 764 1 1 7 ASP CG C -0.356 -3.227 3.100 1.00 . A A . 7 ASP CG 1 1 6 765 1 1 7 ASP H H -1.401 -3.015 -0.750 1.00 . A A . 7 ASP H 1 1 6 766 1 1 7 ASP HA H -0.668 -1.289 1.301 1.00 . A A . 7 ASP HA 1 1 6 767 1 1 7 ASP HB2 H -1.663 -3.622 1.478 1.00 . A A . 7 ASP HB2 1 1 6 768 1 1 7 ASP HB3 H -0.030 -4.241 1.262 1.00 . A A . 7 ASP HB3 1 1 6 769 1 1 7 ASP N N -0.862 -2.230 -0.518 1.00 . A A . 7 ASP N 1 1 6 770 1 1 7 ASP O O 1.732 -0.999 0.101 1.00 . A A . 7 ASP O 1 1 6 771 1 1 7 ASP OD1 O 0.815 -3.347 3.518 1.00 . A A . 7 ASP OD1 1 1 6 772 1 1 7 ASP OD2 O -1.326 -2.968 3.844 1.00 . A A . 7 ASP OD2 1 1 6 773 1 1 8 GLY C C 4.105 -2.652 2.635 1.00 . A A . 8 GLY C 1 1 6 774 1 1 8 GLY CA C 3.492 -2.755 1.249 1.00 . A A . 8 GLY CA 1 1 6 775 1 1 8 GLY H H 1.642 -3.627 1.772 1.00 . A A . 8 GLY H 1 1 6 776 1 1 8 GLY HA2 H 3.900 -3.621 0.749 1.00 . A A . 8 GLY HA2 1 1 6 777 1 1 8 GLY HA3 H 3.751 -1.871 0.685 1.00 . A A . 8 GLY HA3 1 1 6 778 1 1 8 GLY N N 2.047 -2.877 1.296 1.00 . A A . 8 GLY N 1 1 6 779 1 1 8 GLY O O 3.430 -2.900 3.633 1.00 . A A . 8 GLY O 1 1 6 780 1 1 9 PRO C C 5.719 -0.878 4.758 1.00 . A A . 9 PRO C 1 1 6 781 1 1 9 PRO CA C 6.088 -2.160 4.014 1.00 . A A . 9 PRO CA 1 1 6 782 1 1 9 PRO CB C 7.561 -2.135 3.609 1.00 . A A . 9 PRO CB 1 1 6 783 1 1 9 PRO CD C 6.281 -1.977 1.590 1.00 . A A . 9 PRO CD 1 1 6 784 1 1 9 PRO CG C 7.563 -1.535 2.245 1.00 . A A . 9 PRO CG 1 1 6 785 1 1 9 PRO HA H 5.902 -3.011 4.651 1.00 . A A . 9 PRO HA 1 1 6 786 1 1 9 PRO HB2 H 8.121 -1.532 4.309 1.00 . A A . 9 PRO HB2 1 1 6 787 1 1 9 PRO HB3 H 7.952 -3.142 3.597 1.00 . A A . 9 PRO HB3 1 1 6 788 1 1 9 PRO HD2 H 5.869 -1.180 0.990 1.00 . A A . 9 PRO HD2 1 1 6 789 1 1 9 PRO HD3 H 6.451 -2.856 0.986 1.00 . A A . 9 PRO HD3 1 1 6 790 1 1 9 PRO HG2 H 7.593 -0.458 2.319 1.00 . A A . 9 PRO HG2 1 1 6 791 1 1 9 PRO HG3 H 8.413 -1.897 1.686 1.00 . A A . 9 PRO HG3 1 1 6 792 1 1 9 PRO N N 5.395 -2.287 2.729 1.00 . A A . 9 PRO N 1 1 6 793 1 1 9 PRO O O 5.839 0.222 4.218 1.00 . A A . 9 PRO O 1 1 6 794 1 1 10 CYS C C 5.858 0.277 7.999 1.00 . A A . 10 CYS C 1 1 6 795 1 1 10 CYS CA C 4.892 0.110 6.830 1.00 . A A . 10 CYS CA 1 1 6 796 1 1 10 CYS CB C 3.462 -0.064 7.353 1.00 . A A . 10 CYS CB 1 1 6 797 1 1 10 CYS H H 5.205 -1.935 6.377 1.00 . A A . 10 CYS H 1 1 6 798 1 1 10 CYS HA H 4.937 0.996 6.214 1.00 . A A . 10 CYS HA 1 1 6 799 1 1 10 CYS HB2 H 3.065 -0.999 6.987 1.00 . A A . 10 CYS HB2 1 1 6 800 1 1 10 CYS HB3 H 3.481 -0.088 8.433 1.00 . A A . 10 CYS HB3 1 1 6 801 1 1 10 CYS N N 5.274 -1.031 6.003 1.00 . A A . 10 CYS N 1 1 6 802 1 1 10 CYS O O 6.164 -0.736 8.662 1.00 . A A . 10 CYS O 1 1 6 803 1 1 10 CYS OXT O 6.301 1.419 8.242 1.00 . A A . 10 CYS OXT 1 1 6 804 1 1 10 CYS SG S 2.309 1.257 6.851 1.00 . A A . 10 CYS SG 1 1 7 805 1 1 1 ALA C C 0.095 1.320 3.629 1.00 . A A . 1 ALA C 1 1 7 806 1 1 1 ALA CA C -0.303 0.176 4.556 1.00 . A A . 1 ALA CA 1 1 7 807 1 1 1 ALA CB C -1.818 0.063 4.634 1.00 . A A . 1 ALA CB 1 1 7 808 1 1 1 ALA H1 H -0.297 1.090 6.398 1.00 . A A . 1 ALA H1 1 1 7 809 1 1 1 ALA H2 H 1.257 0.675 5.800 1.00 . A A . 1 ALA H2 1 1 7 810 1 1 1 ALA H3 H 0.216 -0.545 6.411 1.00 . A A . 1 ALA H3 1 1 7 811 1 1 1 ALA HA H 0.082 -0.749 4.152 1.00 . A A . 1 ALA HA 1 1 7 812 1 1 1 ALA HB1 H -2.220 0.944 5.110 1.00 . A A . 1 ALA HB1 1 1 7 813 1 1 1 ALA HB2 H -2.084 -0.811 5.210 1.00 . A A . 1 ALA HB2 1 1 7 814 1 1 1 ALA HB3 H -2.224 -0.026 3.637 1.00 . A A . 1 ALA HB3 1 1 7 815 1 1 1 ALA N N 0.270 0.366 5.913 1.00 . A A . 1 ALA N 1 1 7 816 1 1 1 ALA O O -0.619 2.316 3.516 1.00 . A A . 1 ALA O 1 1 7 817 1 1 2 CYS C C 1.342 1.880 0.618 1.00 . A A . 2 CYS C 1 1 7 818 1 1 2 CYS CA C 1.738 2.183 2.059 1.00 . A A . 2 CYS CA 1 1 7 819 1 1 2 CYS CB C 3.251 2.255 2.186 1.00 . A A . 2 CYS CB 1 1 7 820 1 1 2 CYS H H 1.770 0.359 3.100 1.00 . A A . 2 CYS H 1 1 7 821 1 1 2 CYS HA H 1.311 3.127 2.345 1.00 . A A . 2 CYS HA 1 1 7 822 1 1 2 CYS HB2 H 3.564 1.540 2.930 1.00 . A A . 2 CYS HB2 1 1 7 823 1 1 2 CYS HB3 H 3.694 1.993 1.243 1.00 . A A . 2 CYS HB3 1 1 7 824 1 1 2 CYS N N 1.240 1.171 2.970 1.00 . A A . 2 CYS N 1 1 7 825 1 1 2 CYS O O 1.894 2.449 -0.324 1.00 . A A . 2 CYS O 1 1 7 826 1 1 2 CYS SG S 3.891 3.886 2.686 1.00 . A A . 2 CYS SG 1 1 7 827 1 1 3 LEU C C -1.545 1.044 -1.070 1.00 . A A . 3 LEU C 1 1 7 828 1 1 3 LEU CA C -0.096 0.596 -0.863 1.00 . A A . 3 LEU CA 1 1 7 829 1 1 3 LEU CB C 0.015 -0.919 -1.045 1.00 . A A . 3 LEU CB 1 1 7 830 1 1 3 LEU CD1 C 1.442 -2.951 -1.404 1.00 . A A . 3 LEU CD1 1 1 7 831 1 1 3 LEU CD2 C 2.278 -0.702 -2.105 1.00 . A A . 3 LEU CD2 1 1 7 832 1 1 3 LEU CG C 1.445 -1.464 -1.085 1.00 . A A . 3 LEU CG 1 1 7 833 1 1 3 LEU H H -0.011 0.571 1.253 1.00 . A A . 3 LEU H 1 1 7 834 1 1 3 LEU HA H 0.530 1.083 -1.595 1.00 . A A . 3 LEU HA 1 1 7 835 1 1 3 LEU HB2 H -0.507 -1.397 -0.230 1.00 . A A . 3 LEU HB2 1 1 7 836 1 1 3 LEU HB3 H -0.474 -1.187 -1.970 1.00 . A A . 3 LEU HB3 1 1 7 837 1 1 3 LEU HD11 H 0.487 -3.375 -1.131 1.00 . A A . 3 LEU HD11 1 1 7 838 1 1 3 LEU HD12 H 2.226 -3.440 -0.845 1.00 . A A . 3 LEU HD12 1 1 7 839 1 1 3 LEU HD13 H 1.611 -3.093 -2.461 1.00 . A A . 3 LEU HD13 1 1 7 840 1 1 3 LEU HD21 H 2.368 0.329 -1.797 1.00 . A A . 3 LEU HD21 1 1 7 841 1 1 3 LEU HD22 H 1.796 -0.748 -3.070 1.00 . A A . 3 LEU HD22 1 1 7 842 1 1 3 LEU HD23 H 3.260 -1.146 -2.171 1.00 . A A . 3 LEU HD23 1 1 7 843 1 1 3 LEU HG H 1.900 -1.332 -0.115 1.00 . A A . 3 LEU HG 1 1 7 844 1 1 3 LEU N N 0.384 0.983 0.459 1.00 . A A . 3 LEU N 1 1 7 845 1 1 3 LEU O O -2.432 0.665 -0.306 1.00 . A A . 3 LEU O 1 1 7 846 1 1 4 PRO C C -4.163 1.238 -2.661 1.00 . A A . 4 PRO C 1 1 7 847 1 1 4 PRO CA C -3.160 2.359 -2.399 1.00 . A A . 4 PRO CA 1 1 7 848 1 1 4 PRO CB C -2.972 3.200 -3.667 1.00 . A A . 4 PRO CB 1 1 7 849 1 1 4 PRO CD C -0.817 2.372 -3.071 1.00 . A A . 4 PRO CD 1 1 7 850 1 1 4 PRO CG C -1.523 3.540 -3.695 1.00 . A A . 4 PRO CG 1 1 7 851 1 1 4 PRO HA H -3.528 2.987 -1.602 1.00 . A A . 4 PRO HA 1 1 7 852 1 1 4 PRO HB2 H -3.257 2.618 -4.531 1.00 . A A . 4 PRO HB2 1 1 7 853 1 1 4 PRO HB3 H -3.583 4.087 -3.607 1.00 . A A . 4 PRO HB3 1 1 7 854 1 1 4 PRO HD2 H -0.585 1.627 -3.818 1.00 . A A . 4 PRO HD2 1 1 7 855 1 1 4 PRO HD3 H 0.080 2.698 -2.567 1.00 . A A . 4 PRO HD3 1 1 7 856 1 1 4 PRO HG2 H -1.196 3.674 -4.716 1.00 . A A . 4 PRO HG2 1 1 7 857 1 1 4 PRO HG3 H -1.343 4.437 -3.122 1.00 . A A . 4 PRO HG3 1 1 7 858 1 1 4 PRO N N -1.808 1.862 -2.107 1.00 . A A . 4 PRO N 1 1 7 859 1 1 4 PRO O O -5.373 1.458 -2.624 1.00 . A A . 4 PRO O 1 1 7 860 1 1 5 TRP C C -4.427 -2.160 -2.118 1.00 . A A . 5 TRP C 1 1 7 861 1 1 5 TRP CA C -4.519 -1.105 -3.220 1.00 . A A . 5 TRP CA 1 1 7 862 1 1 5 TRP CB C -4.157 -1.730 -4.575 1.00 . A A . 5 TRP CB 1 1 7 863 1 1 5 TRP CD1 C -1.599 -1.613 -4.724 1.00 . A A . 5 TRP CD1 1 1 7 864 1 1 5 TRP CD2 C -2.665 -0.310 -6.199 1.00 . A A . 5 TRP CD2 1 1 7 865 1 1 5 TRP CE2 C -1.278 -0.156 -6.384 1.00 . A A . 5 TRP CE2 1 1 7 866 1 1 5 TRP CE3 C -3.537 0.414 -7.016 1.00 . A A . 5 TRP CE3 1 1 7 867 1 1 5 TRP CG C -2.849 -1.249 -5.134 1.00 . A A . 5 TRP CG 1 1 7 868 1 1 5 TRP CH2 C -1.623 1.387 -8.138 1.00 . A A . 5 TRP CH2 1 1 7 869 1 1 5 TRP CZ2 C -0.745 0.692 -7.352 1.00 . A A . 5 TRP CZ2 1 1 7 870 1 1 5 TRP CZ3 C -3.007 1.256 -7.976 1.00 . A A . 5 TRP CZ3 1 1 7 871 1 1 5 TRP H H -2.685 -0.076 -2.963 1.00 . A A . 5 TRP H 1 1 7 872 1 1 5 TRP HA H -5.536 -0.745 -3.266 1.00 . A A . 5 TRP HA 1 1 7 873 1 1 5 TRP HB2 H -4.095 -2.803 -4.465 1.00 . A A . 5 TRP HB2 1 1 7 874 1 1 5 TRP HB3 H -4.932 -1.493 -5.290 1.00 . A A . 5 TRP HB3 1 1 7 875 1 1 5 TRP HD1 H -1.402 -2.313 -3.927 1.00 . A A . 5 TRP HD1 1 1 7 876 1 1 5 TRP HE1 H 0.321 -1.059 -5.369 1.00 . A A . 5 TRP HE1 1 1 7 877 1 1 5 TRP HE3 H -4.607 0.325 -6.906 1.00 . A A . 5 TRP HE3 1 1 7 878 1 1 5 TRP HH2 H -1.253 2.057 -8.900 1.00 . A A . 5 TRP HH2 1 1 7 879 1 1 5 TRP HZ2 H 0.320 0.804 -7.489 1.00 . A A . 5 TRP HZ2 1 1 7 880 1 1 5 TRP HZ3 H -3.667 1.823 -8.616 1.00 . A A . 5 TRP HZ3 1 1 7 881 1 1 5 TRP N N -3.657 0.040 -2.938 1.00 . A A . 5 TRP N 1 1 7 882 1 1 5 TRP NE1 N -0.649 -0.962 -5.472 1.00 . A A . 5 TRP NE1 1 1 7 883 1 1 5 TRP O O -5.313 -3.004 -1.983 1.00 . A A . 5 TRP O 1 1 7 884 1 1 6 SER C C -2.429 -2.399 0.915 1.00 . A A . 6 SER C 1 1 7 885 1 1 6 SER CA C -3.155 -3.065 -0.254 1.00 . A A . 6 SER CA 1 1 7 886 1 1 6 SER CB C -2.368 -4.276 -0.769 1.00 . A A . 6 SER CB 1 1 7 887 1 1 6 SER H H -2.678 -1.420 -1.487 1.00 . A A . 6 SER H 1 1 7 888 1 1 6 SER HA H -4.124 -3.394 0.084 1.00 . A A . 6 SER HA 1 1 7 889 1 1 6 SER HB2 H -2.640 -4.468 -1.796 1.00 . A A . 6 SER HB2 1 1 7 890 1 1 6 SER HB3 H -1.310 -4.067 -0.709 1.00 . A A . 6 SER HB3 1 1 7 891 1 1 6 SER HG H -1.825 -5.844 0.273 1.00 . A A . 6 SER HG 1 1 7 892 1 1 6 SER N N -3.354 -2.111 -1.335 1.00 . A A . 6 SER N 1 1 7 893 1 1 6 SER O O -2.659 -1.227 1.208 1.00 . A A . 6 SER O 1 1 7 894 1 1 6 SER OG O -2.649 -5.432 0.001 1.00 . A A . 6 SER OG 1 1 7 895 1 1 7 ASP C C 0.680 -2.488 2.359 1.00 . A A . 7 ASP C 1 1 7 896 1 1 7 ASP CA C -0.801 -2.614 2.708 1.00 . A A . 7 ASP CA 1 1 7 897 1 1 7 ASP CB C -0.982 -3.497 3.951 1.00 . A A . 7 ASP CB 1 1 7 898 1 1 7 ASP CG C -1.264 -4.949 3.611 1.00 . A A . 7 ASP CG 1 1 7 899 1 1 7 ASP H H -1.413 -4.070 1.300 1.00 . A A . 7 ASP H 1 1 7 900 1 1 7 ASP HA H -1.187 -1.629 2.922 1.00 . A A . 7 ASP HA 1 1 7 901 1 1 7 ASP HB2 H -0.081 -3.457 4.545 1.00 . A A . 7 ASP HB2 1 1 7 902 1 1 7 ASP HB3 H -1.807 -3.117 4.536 1.00 . A A . 7 ASP HB3 1 1 7 903 1 1 7 ASP N N -1.556 -3.146 1.578 1.00 . A A . 7 ASP N 1 1 7 904 1 1 7 ASP O O 1.147 -1.411 1.987 1.00 . A A . 7 ASP O 1 1 7 905 1 1 7 ASP OD1 O -2.442 -5.283 3.365 1.00 . A A . 7 ASP OD1 1 1 7 906 1 1 7 ASP OD2 O -0.306 -5.751 3.591 1.00 . A A . 7 ASP OD2 1 1 7 907 1 1 8 GLY C C 3.593 -2.507 2.917 1.00 . A A . 8 GLY C 1 1 7 908 1 1 8 GLY CA C 2.832 -3.582 2.161 1.00 . A A . 8 GLY CA 1 1 7 909 1 1 8 GLY H H 0.988 -4.423 2.770 1.00 . A A . 8 GLY H 1 1 7 910 1 1 8 GLY HA2 H 3.251 -4.545 2.411 1.00 . A A . 8 GLY HA2 1 1 7 911 1 1 8 GLY HA3 H 2.953 -3.414 1.101 1.00 . A A . 8 GLY HA3 1 1 7 912 1 1 8 GLY N N 1.414 -3.593 2.474 1.00 . A A . 8 GLY N 1 1 7 913 1 1 8 GLY O O 2.991 -1.686 3.608 1.00 . A A . 8 GLY O 1 1 7 914 1 1 9 PRO C C 5.738 -0.140 2.793 1.00 . A A . 9 PRO C 1 1 7 915 1 1 9 PRO CA C 5.769 -1.499 3.485 1.00 . A A . 9 PRO CA 1 1 7 916 1 1 9 PRO CB C 7.166 -2.111 3.399 1.00 . A A . 9 PRO CB 1 1 7 917 1 1 9 PRO CD C 5.736 -3.432 2.001 1.00 . A A . 9 PRO CD 1 1 7 918 1 1 9 PRO CG C 7.144 -2.915 2.144 1.00 . A A . 9 PRO CG 1 1 7 919 1 1 9 PRO HA H 5.485 -1.384 4.521 1.00 . A A . 9 PRO HA 1 1 7 920 1 1 9 PRO HB2 H 7.905 -1.324 3.353 1.00 . A A . 9 PRO HB2 1 1 7 921 1 1 9 PRO HB3 H 7.345 -2.733 4.262 1.00 . A A . 9 PRO HB3 1 1 7 922 1 1 9 PRO HD2 H 5.431 -3.412 0.965 1.00 . A A . 9 PRO HD2 1 1 7 923 1 1 9 PRO HD3 H 5.661 -4.434 2.397 1.00 . A A . 9 PRO HD3 1 1 7 924 1 1 9 PRO HG2 H 7.399 -2.288 1.303 1.00 . A A . 9 PRO HG2 1 1 7 925 1 1 9 PRO HG3 H 7.839 -3.738 2.224 1.00 . A A . 9 PRO HG3 1 1 7 926 1 1 9 PRO N N 4.933 -2.488 2.803 1.00 . A A . 9 PRO N 1 1 7 927 1 1 9 PRO O O 4.926 0.092 1.897 1.00 . A A . 9 PRO O 1 1 7 928 1 1 10 CYS C C 7.975 2.257 1.812 1.00 . A A . 10 CYS C 1 1 7 929 1 1 10 CYS CA C 6.700 2.090 2.632 1.00 . A A . 10 CYS CA 1 1 7 930 1 1 10 CYS CB C 6.645 3.153 3.732 1.00 . A A . 10 CYS CB 1 1 7 931 1 1 10 CYS H H 7.248 0.510 3.931 1.00 . A A . 10 CYS H 1 1 7 932 1 1 10 CYS HA H 5.849 2.215 1.981 1.00 . A A . 10 CYS HA 1 1 7 933 1 1 10 CYS HB2 H 7.248 2.827 4.567 1.00 . A A . 10 CYS HB2 1 1 7 934 1 1 10 CYS HB3 H 7.045 4.079 3.347 1.00 . A A . 10 CYS HB3 1 1 7 935 1 1 10 CYS N N 6.626 0.754 3.214 1.00 . A A . 10 CYS N 1 1 7 936 1 1 10 CYS O O 7.926 2.014 0.587 1.00 . A A . 10 CYS O 1 1 7 937 1 1 10 CYS OXT O 9.012 2.629 2.400 1.00 . A A . 10 CYS OXT 1 1 7 938 1 1 10 CYS SG S 4.968 3.489 4.360 1.00 . A A . 10 CYS SG 1 1 8 939 1 1 1 ALA C C 1.116 4.705 2.622 1.00 . A A . 1 ALA C 1 1 8 940 1 1 1 ALA CA C 0.626 6.111 2.949 1.00 . A A . 1 ALA CA 1 1 8 941 1 1 1 ALA CB C 0.390 6.897 1.668 1.00 . A A . 1 ALA CB 1 1 8 942 1 1 1 ALA H1 H 1.983 6.138 4.495 1.00 . A A . 1 ALA H1 1 1 8 943 1 1 1 ALA H2 H 1.079 7.586 4.309 1.00 . A A . 1 ALA H2 1 1 8 944 1 1 1 ALA H3 H 2.343 7.213 3.209 1.00 . A A . 1 ALA H3 1 1 8 945 1 1 1 ALA HA H -0.314 6.039 3.476 1.00 . A A . 1 ALA HA 1 1 8 946 1 1 1 ALA HB1 H 0.136 6.216 0.869 1.00 . A A . 1 ALA HB1 1 1 8 947 1 1 1 ALA HB2 H 1.287 7.439 1.407 1.00 . A A . 1 ALA HB2 1 1 8 948 1 1 1 ALA HB3 H -0.421 7.594 1.818 1.00 . A A . 1 ALA HB3 1 1 8 949 1 1 1 ALA N N 1.595 6.826 3.819 1.00 . A A . 1 ALA N 1 1 8 950 1 1 1 ALA O O 2.253 4.518 2.189 1.00 . A A . 1 ALA O 1 1 8 951 1 1 2 CYS C C 0.277 1.978 1.107 1.00 . A A . 2 CYS C 1 1 8 952 1 1 2 CYS CA C 0.587 2.333 2.563 1.00 . A A . 2 CYS CA 1 1 8 953 1 1 2 CYS CB C -0.206 1.438 3.513 1.00 . A A . 2 CYS CB 1 1 8 954 1 1 2 CYS H H -0.641 3.922 3.177 1.00 . A A . 2 CYS H 1 1 8 955 1 1 2 CYS HA H 1.640 2.204 2.743 1.00 . A A . 2 CYS HA 1 1 8 956 1 1 2 CYS HB2 H -0.814 2.065 4.149 1.00 . A A . 2 CYS HB2 1 1 8 957 1 1 2 CYS HB3 H -0.852 0.804 2.935 1.00 . A A . 2 CYS HB3 1 1 8 958 1 1 2 CYS N N 0.251 3.717 2.831 1.00 . A A . 2 CYS N 1 1 8 959 1 1 2 CYS O O 0.132 2.863 0.265 1.00 . A A . 2 CYS O 1 1 8 960 1 1 2 CYS SG S 0.804 0.380 4.606 1.00 . A A . 2 CYS SG 1 1 8 961 1 1 3 LEU C C -1.446 0.825 -1.032 1.00 . A A . 3 LEU C 1 1 8 962 1 1 3 LEU CA C -0.124 0.227 -0.540 1.00 . A A . 3 LEU CA 1 1 8 963 1 1 3 LEU CB C -0.182 -1.303 -0.585 1.00 . A A . 3 LEU CB 1 1 8 964 1 1 3 LEU CD1 C 0.885 -3.499 -1.161 1.00 . A A . 3 LEU CD1 1 1 8 965 1 1 3 LEU CD2 C 1.259 -1.516 -2.631 1.00 . A A . 3 LEU CD2 1 1 8 966 1 1 3 LEU CG C 1.042 -1.987 -1.202 1.00 . A A . 3 LEU CG 1 1 8 967 1 1 3 LEU H H 0.297 0.019 1.528 1.00 . A A . 3 LEU H 1 1 8 968 1 1 3 LEU HA H 0.674 0.568 -1.182 1.00 . A A . 3 LEU HA 1 1 8 969 1 1 3 LEU HB2 H -0.293 -1.664 0.426 1.00 . A A . 3 LEU HB2 1 1 8 970 1 1 3 LEU HB3 H -1.053 -1.596 -1.152 1.00 . A A . 3 LEU HB3 1 1 8 971 1 1 3 LEU HD11 H 0.323 -3.780 -0.283 1.00 . A A . 3 LEU HD11 1 1 8 972 1 1 3 LEU HD12 H 1.860 -3.962 -1.128 1.00 . A A . 3 LEU HD12 1 1 8 973 1 1 3 LEU HD13 H 0.360 -3.830 -2.045 1.00 . A A . 3 LEU HD13 1 1 8 974 1 1 3 LEU HD21 H 1.508 -0.465 -2.631 1.00 . A A . 3 LEU HD21 1 1 8 975 1 1 3 LEU HD22 H 0.357 -1.673 -3.203 1.00 . A A . 3 LEU HD22 1 1 8 976 1 1 3 LEU HD23 H 2.068 -2.077 -3.076 1.00 . A A . 3 LEU HD23 1 1 8 977 1 1 3 LEU HG H 1.919 -1.728 -0.626 1.00 . A A . 3 LEU HG 1 1 8 978 1 1 3 LEU N N 0.173 0.682 0.816 1.00 . A A . 3 LEU N 1 1 8 979 1 1 3 LEU O O -2.412 0.918 -0.275 1.00 . A A . 3 LEU O 1 1 8 980 1 1 4 PRO C C -3.968 1.026 -2.677 1.00 . A A . 4 PRO C 1 1 8 981 1 1 4 PRO CA C -2.705 1.850 -2.900 1.00 . A A . 4 PRO CA 1 1 8 982 1 1 4 PRO CB C -2.370 1.902 -4.390 1.00 . A A . 4 PRO CB 1 1 8 983 1 1 4 PRO CD C -0.392 1.181 -3.281 1.00 . A A . 4 PRO CD 1 1 8 984 1 1 4 PRO CG C -0.888 2.010 -4.431 1.00 . A A . 4 PRO CG 1 1 8 985 1 1 4 PRO HA H -2.864 2.853 -2.533 1.00 . A A . 4 PRO HA 1 1 8 986 1 1 4 PRO HB2 H -2.716 0.997 -4.871 1.00 . A A . 4 PRO HB2 1 1 8 987 1 1 4 PRO HB3 H -2.843 2.760 -4.841 1.00 . A A . 4 PRO HB3 1 1 8 988 1 1 4 PRO HD2 H -0.219 0.165 -3.599 1.00 . A A . 4 PRO HD2 1 1 8 989 1 1 4 PRO HD3 H 0.509 1.608 -2.867 1.00 . A A . 4 PRO HD3 1 1 8 990 1 1 4 PRO HG2 H -0.516 1.618 -5.366 1.00 . A A . 4 PRO HG2 1 1 8 991 1 1 4 PRO HG3 H -0.590 3.040 -4.308 1.00 . A A . 4 PRO HG3 1 1 8 992 1 1 4 PRO N N -1.502 1.247 -2.309 1.00 . A A . 4 PRO N 1 1 8 993 1 1 4 PRO O O -5.065 1.576 -2.576 1.00 . A A . 4 PRO O 1 1 8 994 1 1 5 TRP C C -4.603 -2.387 -1.579 1.00 . A A . 5 TRP C 1 1 8 995 1 1 5 TRP CA C -4.965 -1.174 -2.431 1.00 . A A . 5 TRP CA 1 1 8 996 1 1 5 TRP CB C -5.507 -1.630 -3.790 1.00 . A A . 5 TRP CB 1 1 8 997 1 1 5 TRP CD1 C -4.400 -0.726 -5.921 1.00 . A A . 5 TRP CD1 1 1 8 998 1 1 5 TRP CD2 C -3.380 -2.513 -5.042 1.00 . A A . 5 TRP CD2 1 1 8 999 1 1 5 TRP CE2 C -2.680 -2.122 -6.198 1.00 . A A . 5 TRP CE2 1 1 8 1000 1 1 5 TRP CE3 C -2.922 -3.614 -4.318 1.00 . A A . 5 TRP CE3 1 1 8 1001 1 1 5 TRP CG C -4.479 -1.610 -4.883 1.00 . A A . 5 TRP CG 1 1 8 1002 1 1 5 TRP CH2 C -1.120 -3.872 -5.917 1.00 . A A . 5 TRP CH2 1 1 8 1003 1 1 5 TRP CZ2 C -1.546 -2.795 -6.646 1.00 . A A . 5 TRP CZ2 1 1 8 1004 1 1 5 TRP CZ3 C -1.797 -4.283 -4.762 1.00 . A A . 5 TRP CZ3 1 1 8 1005 1 1 5 TRP H H -2.924 -0.679 -2.720 1.00 . A A . 5 TRP H 1 1 8 1006 1 1 5 TRP HA H -5.732 -0.611 -1.922 1.00 . A A . 5 TRP HA 1 1 8 1007 1 1 5 TRP HB2 H -5.879 -2.640 -3.702 1.00 . A A . 5 TRP HB2 1 1 8 1008 1 1 5 TRP HB3 H -6.318 -0.979 -4.083 1.00 . A A . 5 TRP HB3 1 1 8 1009 1 1 5 TRP HD1 H -5.092 0.087 -6.080 1.00 . A A . 5 TRP HD1 1 1 8 1010 1 1 5 TRP HE1 H -3.056 -0.540 -7.524 1.00 . A A . 5 TRP HE1 1 1 8 1011 1 1 5 TRP HE3 H -3.430 -3.942 -3.425 1.00 . A A . 5 TRP HE3 1 1 8 1012 1 1 5 TRP HH2 H -0.245 -4.424 -6.227 1.00 . A A . 5 TRP HH2 1 1 8 1013 1 1 5 TRP HZ2 H -1.013 -2.490 -7.534 1.00 . A A . 5 TRP HZ2 1 1 8 1014 1 1 5 TRP HZ3 H -1.429 -5.138 -4.214 1.00 . A A . 5 TRP HZ3 1 1 8 1015 1 1 5 TRP N N -3.818 -0.291 -2.620 1.00 . A A . 5 TRP N 1 1 8 1016 1 1 5 TRP NE1 N -3.322 -1.028 -6.717 1.00 . A A . 5 TRP NE1 1 1 8 1017 1 1 5 TRP O O -5.162 -3.470 -1.756 1.00 . A A . 5 TRP O 1 1 8 1018 1 1 6 SER C C -2.266 -2.734 1.269 1.00 . A A . 6 SER C 1 1 8 1019 1 1 6 SER CA C -3.233 -3.276 0.219 1.00 . A A . 6 SER CA 1 1 8 1020 1 1 6 SER CB C -2.581 -4.389 -0.608 1.00 . A A . 6 SER CB 1 1 8 1021 1 1 6 SER H H -3.253 -1.321 -0.560 1.00 . A A . 6 SER H 1 1 8 1022 1 1 6 SER HA H -4.102 -3.672 0.720 1.00 . A A . 6 SER HA 1 1 8 1023 1 1 6 SER HB2 H -3.117 -4.505 -1.538 1.00 . A A . 6 SER HB2 1 1 8 1024 1 1 6 SER HB3 H -1.554 -4.126 -0.816 1.00 . A A . 6 SER HB3 1 1 8 1025 1 1 6 SER HG H -1.728 -6.012 0.083 1.00 . A A . 6 SER HG 1 1 8 1026 1 1 6 SER N N -3.667 -2.202 -0.656 1.00 . A A . 6 SER N 1 1 8 1027 1 1 6 SER O O -2.428 -1.614 1.754 1.00 . A A . 6 SER O 1 1 8 1028 1 1 6 SER OG O -2.606 -5.623 0.088 1.00 . A A . 6 SER OG 1 1 8 1029 1 1 7 ASP C C 1.129 -3.071 1.957 1.00 . A A . 7 ASP C 1 1 8 1030 1 1 7 ASP CA C -0.260 -3.118 2.590 1.00 . A A . 7 ASP CA 1 1 8 1031 1 1 7 ASP CB C -0.262 -4.067 3.795 1.00 . A A . 7 ASP CB 1 1 8 1032 1 1 7 ASP CG C -0.713 -5.473 3.441 1.00 . A A . 7 ASP CG 1 1 8 1033 1 1 7 ASP H H -1.181 -4.396 1.181 1.00 . A A . 7 ASP H 1 1 8 1034 1 1 7 ASP HA H -0.518 -2.125 2.927 1.00 . A A . 7 ASP HA 1 1 8 1035 1 1 7 ASP HB2 H 0.737 -4.124 4.200 1.00 . A A . 7 ASP HB2 1 1 8 1036 1 1 7 ASP HB3 H -0.929 -3.675 4.550 1.00 . A A . 7 ASP HB3 1 1 8 1037 1 1 7 ASP N N -1.259 -3.524 1.607 1.00 . A A . 7 ASP N 1 1 8 1038 1 1 7 ASP O O 1.605 -2.006 1.566 1.00 . A A . 7 ASP O 1 1 8 1039 1 1 7 ASP OD1 O -0.210 -6.024 2.439 1.00 . A A . 7 ASP OD1 1 1 8 1040 1 1 7 ASP OD2 O -1.569 -6.023 4.167 1.00 . A A . 7 ASP OD2 1 1 8 1041 1 1 8 GLY C C 4.183 -3.845 2.217 1.00 . A A . 8 GLY C 1 1 8 1042 1 1 8 GLY CA C 3.096 -4.293 1.258 1.00 . A A . 8 GLY CA 1 1 8 1043 1 1 8 GLY H H 1.344 -5.050 2.173 1.00 . A A . 8 GLY H 1 1 8 1044 1 1 8 GLY HA2 H 3.295 -5.310 0.955 1.00 . A A . 8 GLY HA2 1 1 8 1045 1 1 8 GLY HA3 H 3.117 -3.657 0.385 1.00 . A A . 8 GLY HA3 1 1 8 1046 1 1 8 GLY N N 1.772 -4.231 1.851 1.00 . A A . 8 GLY N 1 1 8 1047 1 1 8 GLY O O 3.918 -3.620 3.398 1.00 . A A . 8 GLY O 1 1 8 1048 1 1 9 PRO C C 6.469 -1.804 2.950 1.00 . A A . 9 PRO C 1 1 8 1049 1 1 9 PRO CA C 6.556 -3.279 2.569 1.00 . A A . 9 PRO CA 1 1 8 1050 1 1 9 PRO CB C 7.773 -3.532 1.678 1.00 . A A . 9 PRO CB 1 1 8 1051 1 1 9 PRO CD C 5.838 -3.953 0.338 1.00 . A A . 9 PRO CD 1 1 8 1052 1 1 9 PRO CG C 7.250 -3.436 0.287 1.00 . A A . 9 PRO CG 1 1 8 1053 1 1 9 PRO HA H 6.632 -3.877 3.466 1.00 . A A . 9 PRO HA 1 1 8 1054 1 1 9 PRO HB2 H 8.526 -2.782 1.870 1.00 . A A . 9 PRO HB2 1 1 8 1055 1 1 9 PRO HB3 H 8.174 -4.514 1.881 1.00 . A A . 9 PRO HB3 1 1 8 1056 1 1 9 PRO HD2 H 5.210 -3.405 -0.350 1.00 . A A . 9 PRO HD2 1 1 8 1057 1 1 9 PRO HD3 H 5.815 -5.009 0.112 1.00 . A A . 9 PRO HD3 1 1 8 1058 1 1 9 PRO HG2 H 7.260 -2.406 -0.039 1.00 . A A . 9 PRO HG2 1 1 8 1059 1 1 9 PRO HG3 H 7.848 -4.046 -0.374 1.00 . A A . 9 PRO HG3 1 1 8 1060 1 1 9 PRO N N 5.430 -3.705 1.734 1.00 . A A . 9 PRO N 1 1 8 1061 1 1 9 PRO O O 7.336 -1.007 2.593 1.00 . A A . 9 PRO O 1 1 8 1062 1 1 10 CYS C C 6.279 0.346 5.120 1.00 . A A . 10 CYS C 1 1 8 1063 1 1 10 CYS CA C 5.216 -0.069 4.108 1.00 . A A . 10 CYS CA 1 1 8 1064 1 1 10 CYS CB C 3.823 0.101 4.716 1.00 . A A . 10 CYS CB 1 1 8 1065 1 1 10 CYS H H 4.758 -2.128 3.933 1.00 . A A . 10 CYS H 1 1 8 1066 1 1 10 CYS HA H 5.298 0.565 3.237 1.00 . A A . 10 CYS HA 1 1 8 1067 1 1 10 CYS HB2 H 3.679 -0.648 5.480 1.00 . A A . 10 CYS HB2 1 1 8 1068 1 1 10 CYS HB3 H 3.751 1.082 5.164 1.00 . A A . 10 CYS HB3 1 1 8 1069 1 1 10 CYS N N 5.416 -1.448 3.678 1.00 . A A . 10 CYS N 1 1 8 1070 1 1 10 CYS O O 6.410 -0.342 6.154 1.00 . A A . 10 CYS O 1 1 8 1071 1 1 10 CYS OXT O 6.974 1.353 4.868 1.00 . A A . 10 CYS OXT 1 1 8 1072 1 1 10 CYS SG S 2.460 -0.063 3.517 1.00 . A A . 10 CYS SG 1 1 9 1073 1 1 1 ALA C C 0.175 1.573 3.455 1.00 . A A . 1 ALA C 1 1 9 1074 1 1 1 ALA CA C -0.317 0.574 4.497 1.00 . A A . 1 ALA CA 1 1 9 1075 1 1 1 ALA CB C -1.290 1.245 5.454 1.00 . A A . 1 ALA CB 1 1 9 1076 1 1 1 ALA H1 H 0.434 -0.481 6.094 1.00 . A A . 1 ALA H1 1 1 9 1077 1 1 1 ALA H2 H 1.464 0.760 5.507 1.00 . A A . 1 ALA H2 1 1 9 1078 1 1 1 ALA H3 H 1.290 -0.702 4.625 1.00 . A A . 1 ALA H3 1 1 9 1079 1 1 1 ALA HA H -0.841 -0.224 3.992 1.00 . A A . 1 ALA HA 1 1 9 1080 1 1 1 ALA HB1 H -2.302 1.059 5.128 1.00 . A A . 1 ALA HB1 1 1 9 1081 1 1 1 ALA HB2 H -1.106 2.309 5.468 1.00 . A A . 1 ALA HB2 1 1 9 1082 1 1 1 ALA HB3 H -1.152 0.844 6.447 1.00 . A A . 1 ALA HB3 1 1 9 1083 1 1 1 ALA N N 0.820 -0.015 5.249 1.00 . A A . 1 ALA N 1 1 9 1084 1 1 1 ALA O O -0.415 2.639 3.274 1.00 . A A . 1 ALA O 1 1 9 1085 1 1 2 CYS C C 1.325 1.715 0.366 1.00 . A A . 2 CYS C 1 1 9 1086 1 1 2 CYS CA C 1.837 2.080 1.755 1.00 . A A . 2 CYS CA 1 1 9 1087 1 1 2 CYS CB C 3.351 1.955 1.808 1.00 . A A . 2 CYS CB 1 1 9 1088 1 1 2 CYS H H 1.692 0.365 2.959 1.00 . A A . 2 CYS H 1 1 9 1089 1 1 2 CYS HA H 1.555 3.094 1.975 1.00 . A A . 2 CYS HA 1 1 9 1090 1 1 2 CYS HB2 H 3.608 1.267 2.597 1.00 . A A . 2 CYS HB2 1 1 9 1091 1 1 2 CYS HB3 H 3.702 1.560 0.874 1.00 . A A . 2 CYS HB3 1 1 9 1092 1 1 2 CYS N N 1.261 1.223 2.773 1.00 . A A . 2 CYS N 1 1 9 1093 1 1 2 CYS O O 1.896 2.120 -0.647 1.00 . A A . 2 CYS O 1 1 9 1094 1 1 2 CYS SG S 4.226 3.520 2.133 1.00 . A A . 2 CYS SG 1 1 9 1095 1 1 3 LEU C C -1.816 0.968 -1.011 1.00 . A A . 3 LEU C 1 1 9 1096 1 1 3 LEU CA C -0.355 0.523 -0.927 1.00 . A A . 3 LEU CA 1 1 9 1097 1 1 3 LEU CB C -0.262 -0.999 -1.069 1.00 . A A . 3 LEU CB 1 1 9 1098 1 1 3 LEU CD1 C 1.771 -2.471 -1.165 1.00 . A A . 3 LEU CD1 1 1 9 1099 1 1 3 LEU CD2 C 0.372 -2.143 -3.212 1.00 . A A . 3 LEU CD2 1 1 9 1100 1 1 3 LEU CG C 0.897 -1.495 -1.938 1.00 . A A . 3 LEU CG 1 1 9 1101 1 1 3 LEU H H -0.155 0.666 1.175 1.00 . A A . 3 LEU H 1 1 9 1102 1 1 3 LEU HA H 0.199 0.983 -1.730 1.00 . A A . 3 LEU HA 1 1 9 1103 1 1 3 LEU HB2 H -0.154 -1.424 -0.081 1.00 . A A . 3 LEU HB2 1 1 9 1104 1 1 3 LEU HB3 H -1.185 -1.359 -1.497 1.00 . A A . 3 LEU HB3 1 1 9 1105 1 1 3 LEU HD11 H 2.167 -3.214 -1.841 1.00 . A A . 3 LEU HD11 1 1 9 1106 1 1 3 LEU HD12 H 1.179 -2.957 -0.403 1.00 . A A . 3 LEU HD12 1 1 9 1107 1 1 3 LEU HD13 H 2.585 -1.935 -0.701 1.00 . A A . 3 LEU HD13 1 1 9 1108 1 1 3 LEU HD21 H 0.228 -1.386 -3.968 1.00 . A A . 3 LEU HD21 1 1 9 1109 1 1 3 LEU HD22 H -0.570 -2.630 -3.006 1.00 . A A . 3 LEU HD22 1 1 9 1110 1 1 3 LEU HD23 H 1.085 -2.874 -3.565 1.00 . A A . 3 LEU HD23 1 1 9 1111 1 1 3 LEU HG H 1.511 -0.652 -2.221 1.00 . A A . 3 LEU HG 1 1 9 1112 1 1 3 LEU N N 0.246 0.950 0.331 1.00 . A A . 3 LEU N 1 1 9 1113 1 1 3 LEU O O -2.632 0.598 -0.167 1.00 . A A . 3 LEU O 1 1 9 1114 1 1 4 PRO C C -4.556 1.123 -2.285 1.00 . A A . 4 PRO C 1 1 9 1115 1 1 4 PRO CA C -3.542 2.259 -2.215 1.00 . A A . 4 PRO CA 1 1 9 1116 1 1 4 PRO CB C -3.487 2.999 -3.554 1.00 . A A . 4 PRO CB 1 1 9 1117 1 1 4 PRO CD C -1.267 2.263 -3.091 1.00 . A A . 4 PRO CD 1 1 9 1118 1 1 4 PRO CG C -2.056 3.374 -3.723 1.00 . A A . 4 PRO CG 1 1 9 1119 1 1 4 PRO HA H -3.825 2.946 -1.431 1.00 . A A . 4 PRO HA 1 1 9 1120 1 1 4 PRO HB2 H -3.818 2.341 -4.345 1.00 . A A . 4 PRO HB2 1 1 9 1121 1 1 4 PRO HB3 H -4.121 3.871 -3.514 1.00 . A A . 4 PRO HB3 1 1 9 1122 1 1 4 PRO HD2 H -1.061 1.489 -3.816 1.00 . A A . 4 PRO HD2 1 1 9 1123 1 1 4 PRO HD3 H -0.350 2.644 -2.669 1.00 . A A . 4 PRO HD3 1 1 9 1124 1 1 4 PRO HG2 H -1.818 3.455 -4.773 1.00 . A A . 4 PRO HG2 1 1 9 1125 1 1 4 PRO HG3 H -1.859 4.308 -3.218 1.00 . A A . 4 PRO HG3 1 1 9 1126 1 1 4 PRO N N -2.170 1.770 -2.034 1.00 . A A . 4 PRO N 1 1 9 1127 1 1 4 PRO O O -5.675 1.243 -1.787 1.00 . A A . 4 PRO O 1 1 9 1128 1 1 5 TRP C C -4.512 -2.325 -2.246 1.00 . A A . 5 TRP C 1 1 9 1129 1 1 5 TRP CA C -5.028 -1.137 -3.057 1.00 . A A . 5 TRP CA 1 1 9 1130 1 1 5 TRP CB C -5.151 -1.528 -4.533 1.00 . A A . 5 TRP CB 1 1 9 1131 1 1 5 TRP CD1 C -2.728 -1.848 -5.306 1.00 . A A . 5 TRP CD1 1 1 9 1132 1 1 5 TRP CD2 C -3.797 -0.159 -6.314 1.00 . A A . 5 TRP CD2 1 1 9 1133 1 1 5 TRP CE2 C -2.487 -0.230 -6.825 1.00 . A A . 5 TRP CE2 1 1 9 1134 1 1 5 TRP CE3 C -4.657 0.829 -6.799 1.00 . A A . 5 TRP CE3 1 1 9 1135 1 1 5 TRP CG C -3.931 -1.206 -5.346 1.00 . A A . 5 TRP CG 1 1 9 1136 1 1 5 TRP CH2 C -2.884 1.607 -8.255 1.00 . A A . 5 TRP CH2 1 1 9 1137 1 1 5 TRP CZ2 C -2.019 0.650 -7.798 1.00 . A A . 5 TRP CZ2 1 1 9 1138 1 1 5 TRP CZ3 C -4.192 1.702 -7.764 1.00 . A A . 5 TRP CZ3 1 1 9 1139 1 1 5 TRP H H -3.253 -0.007 -3.291 1.00 . A A . 5 TRP H 1 1 9 1140 1 1 5 TRP HA H -6.005 -0.863 -2.687 1.00 . A A . 5 TRP HA 1 1 9 1141 1 1 5 TRP HB2 H -5.325 -2.591 -4.603 1.00 . A A . 5 TRP HB2 1 1 9 1142 1 1 5 TRP HB3 H -5.990 -1.003 -4.968 1.00 . A A . 5 TRP HB3 1 1 9 1143 1 1 5 TRP HD1 H -2.508 -2.688 -4.666 1.00 . A A . 5 TRP HD1 1 1 9 1144 1 1 5 TRP HE1 H -0.930 -1.553 -6.352 1.00 . A A . 5 TRP HE1 1 1 9 1145 1 1 5 TRP HE3 H -5.668 0.918 -6.432 1.00 . A A . 5 TRP HE3 1 1 9 1146 1 1 5 TRP HH2 H -2.563 2.311 -9.009 1.00 . A A . 5 TRP HH2 1 1 9 1147 1 1 5 TRP HZ2 H -1.014 0.590 -8.188 1.00 . A A . 5 TRP HZ2 1 1 9 1148 1 1 5 TRP HZ3 H -4.843 2.472 -8.151 1.00 . A A . 5 TRP HZ3 1 1 9 1149 1 1 5 TRP N N -4.156 0.024 -2.912 1.00 . A A . 5 TRP N 1 1 9 1150 1 1 5 TRP NE1 N -1.854 -1.269 -6.195 1.00 . A A . 5 TRP NE1 1 1 9 1151 1 1 5 TRP O O -4.965 -3.455 -2.431 1.00 . A A . 5 TRP O 1 1 9 1152 1 1 6 SER C C -2.335 -2.490 0.717 1.00 . A A . 6 SER C 1 1 9 1153 1 1 6 SER CA C -2.994 -3.108 -0.516 1.00 . A A . 6 SER CA 1 1 9 1154 1 1 6 SER CB C -1.985 -3.927 -1.326 1.00 . A A . 6 SER CB 1 1 9 1155 1 1 6 SER H H -3.241 -1.150 -1.242 1.00 . A A . 6 SER H 1 1 9 1156 1 1 6 SER HA H -3.795 -3.754 -0.193 1.00 . A A . 6 SER HA 1 1 9 1157 1 1 6 SER HB2 H -2.287 -3.944 -2.363 1.00 . A A . 6 SER HB2 1 1 9 1158 1 1 6 SER HB3 H -1.007 -3.475 -1.244 1.00 . A A . 6 SER HB3 1 1 9 1159 1 1 6 SER HG H -2.752 -5.701 -1.004 1.00 . A A . 6 SER HG 1 1 9 1160 1 1 6 SER N N -3.566 -2.065 -1.349 1.00 . A A . 6 SER N 1 1 9 1161 1 1 6 SER O O -2.813 -1.486 1.246 1.00 . A A . 6 SER O 1 1 9 1162 1 1 6 SER OG O -1.913 -5.261 -0.852 1.00 . A A . 6 SER OG 1 1 9 1163 1 1 7 ASP C C 0.942 -2.306 1.994 1.00 . A A . 7 ASP C 1 1 9 1164 1 1 7 ASP CA C -0.522 -2.584 2.334 1.00 . A A . 7 ASP CA 1 1 9 1165 1 1 7 ASP CB C -0.621 -3.583 3.490 1.00 . A A . 7 ASP CB 1 1 9 1166 1 1 7 ASP CG C -1.764 -3.265 4.433 1.00 . A A . 7 ASP CG 1 1 9 1167 1 1 7 ASP H H -0.906 -3.876 0.705 1.00 . A A . 7 ASP H 1 1 9 1168 1 1 7 ASP HA H -0.989 -1.657 2.633 1.00 . A A . 7 ASP HA 1 1 9 1169 1 1 7 ASP HB2 H -0.776 -4.574 3.089 1.00 . A A . 7 ASP HB2 1 1 9 1170 1 1 7 ASP HB3 H 0.301 -3.567 4.052 1.00 . A A . 7 ASP HB3 1 1 9 1171 1 1 7 ASP N N -1.240 -3.085 1.168 1.00 . A A . 7 ASP N 1 1 9 1172 1 1 7 ASP O O 1.302 -1.180 1.652 1.00 . A A . 7 ASP O 1 1 9 1173 1 1 7 ASP OD1 O -2.928 -3.527 4.065 1.00 . A A . 7 ASP OD1 1 1 9 1174 1 1 7 ASP OD2 O -1.495 -2.753 5.540 1.00 . A A . 7 ASP OD2 1 1 9 1175 1 1 8 GLY C C 3.803 -1.938 2.399 1.00 . A A . 8 GLY C 1 1 9 1176 1 1 8 GLY CA C 3.194 -3.185 1.779 1.00 . A A . 8 GLY CA 1 1 9 1177 1 1 8 GLY H H 1.436 -4.214 2.358 1.00 . A A . 8 GLY H 1 1 9 1178 1 1 8 GLY HA2 H 3.725 -4.050 2.146 1.00 . A A . 8 GLY HA2 1 1 9 1179 1 1 8 GLY HA3 H 3.314 -3.133 0.706 1.00 . A A . 8 GLY HA3 1 1 9 1180 1 1 8 GLY N N 1.780 -3.339 2.084 1.00 . A A . 8 GLY N 1 1 9 1181 1 1 8 GLY O O 3.763 -0.863 1.801 1.00 . A A . 8 GLY O 1 1 9 1182 1 1 9 PRO C C 6.256 -0.421 3.580 1.00 . A A . 9 PRO C 1 1 9 1183 1 1 9 PRO CA C 5.001 -0.912 4.294 1.00 . A A . 9 PRO CA 1 1 9 1184 1 1 9 PRO CB C 5.355 -1.473 5.674 1.00 . A A . 9 PRO CB 1 1 9 1185 1 1 9 PRO CD C 4.481 -3.293 4.395 1.00 . A A . 9 PRO CD 1 1 9 1186 1 1 9 PRO CG C 5.473 -2.944 5.469 1.00 . A A . 9 PRO CG 1 1 9 1187 1 1 9 PRO HA H 4.307 -0.092 4.403 1.00 . A A . 9 PRO HA 1 1 9 1188 1 1 9 PRO HB2 H 6.287 -1.044 6.011 1.00 . A A . 9 PRO HB2 1 1 9 1189 1 1 9 PRO HB3 H 4.568 -1.235 6.375 1.00 . A A . 9 PRO HB3 1 1 9 1190 1 1 9 PRO HD2 H 4.851 -4.106 3.789 1.00 . A A . 9 PRO HD2 1 1 9 1191 1 1 9 PRO HD3 H 3.526 -3.549 4.832 1.00 . A A . 9 PRO HD3 1 1 9 1192 1 1 9 PRO HG2 H 6.475 -3.190 5.148 1.00 . A A . 9 PRO HG2 1 1 9 1193 1 1 9 PRO HG3 H 5.233 -3.463 6.384 1.00 . A A . 9 PRO HG3 1 1 9 1194 1 1 9 PRO N N 4.382 -2.051 3.607 1.00 . A A . 9 PRO N 1 1 9 1195 1 1 9 PRO O O 7.173 -1.197 3.311 1.00 . A A . 9 PRO O 1 1 9 1196 1 1 10 CYS C C 8.717 1.259 3.392 1.00 . A A . 10 CYS C 1 1 9 1197 1 1 10 CYS CA C 7.434 1.468 2.593 1.00 . A A . 10 CYS CA 1 1 9 1198 1 1 10 CYS CB C 7.199 2.963 2.367 1.00 . A A . 10 CYS CB 1 1 9 1199 1 1 10 CYS H H 5.530 1.441 3.518 1.00 . A A . 10 CYS H 1 1 9 1200 1 1 10 CYS HA H 7.538 0.981 1.635 1.00 . A A . 10 CYS HA 1 1 9 1201 1 1 10 CYS HB2 H 6.863 3.410 3.290 1.00 . A A . 10 CYS HB2 1 1 9 1202 1 1 10 CYS HB3 H 8.128 3.424 2.067 1.00 . A A . 10 CYS HB3 1 1 9 1203 1 1 10 CYS N N 6.291 0.873 3.277 1.00 . A A . 10 CYS N 1 1 9 1204 1 1 10 CYS O O 8.802 1.787 4.521 1.00 . A A . 10 CYS O 1 1 9 1205 1 1 10 CYS OXT O 9.625 0.569 2.883 1.00 . A A . 10 CYS OXT 1 1 9 1206 1 1 10 CYS SG S 5.956 3.335 1.088 1.00 . A A . 10 CYS SG 1 1 10 1207 1 1 1 ALA C C 2.570 4.069 1.369 1.00 . A A . 1 ALA C 1 1 10 1208 1 1 1 ALA CA C 2.767 5.406 2.074 1.00 . A A . 1 ALA CA 1 1 10 1209 1 1 1 ALA CB C 3.903 6.185 1.425 1.00 . A A . 1 ALA CB 1 1 10 1210 1 1 1 ALA H1 H 2.132 5.021 3.992 1.00 . A A . 1 ALA H1 1 1 10 1211 1 1 1 ALA H2 H 3.477 6.081 3.882 1.00 . A A . 1 ALA H2 1 1 10 1212 1 1 1 ALA H3 H 3.684 4.399 3.615 1.00 . A A . 1 ALA H3 1 1 10 1213 1 1 1 ALA HA H 1.862 5.989 1.974 1.00 . A A . 1 ALA HA 1 1 10 1214 1 1 1 ALA HB1 H 4.349 6.843 2.155 1.00 . A A . 1 ALA HB1 1 1 10 1215 1 1 1 ALA HB2 H 3.516 6.768 0.603 1.00 . A A . 1 ALA HB2 1 1 10 1216 1 1 1 ALA HB3 H 4.649 5.495 1.059 1.00 . A A . 1 ALA HB3 1 1 10 1217 1 1 1 ALA N N 3.040 5.209 3.521 1.00 . A A . 1 ALA N 1 1 10 1218 1 1 1 ALA O O 3.089 3.850 0.274 1.00 . A A . 1 ALA O 1 1 10 1219 1 1 2 CYS C C 0.594 1.968 0.252 1.00 . A A . 2 CYS C 1 1 10 1220 1 1 2 CYS CA C 1.541 1.872 1.442 1.00 . A A . 2 CYS CA 1 1 10 1221 1 1 2 CYS CB C 0.942 0.979 2.524 1.00 . A A . 2 CYS CB 1 1 10 1222 1 1 2 CYS H H 1.417 3.407 2.866 1.00 . A A . 2 CYS H 1 1 10 1223 1 1 2 CYS HA H 2.477 1.448 1.114 1.00 . A A . 2 CYS HA 1 1 10 1224 1 1 2 CYS HB2 H 0.887 1.540 3.446 1.00 . A A . 2 CYS HB2 1 1 10 1225 1 1 2 CYS HB3 H -0.048 0.692 2.231 1.00 . A A . 2 CYS HB3 1 1 10 1226 1 1 2 CYS N N 1.812 3.179 2.001 1.00 . A A . 2 CYS N 1 1 10 1227 1 1 2 CYS O O 0.238 3.061 -0.188 1.00 . A A . 2 CYS O 1 1 10 1228 1 1 2 CYS SG S 1.900 -0.533 2.864 1.00 . A A . 2 CYS SG 1 1 10 1229 1 1 3 LEU C C -2.155 0.972 -0.962 1.00 . A A . 3 LEU C 1 1 10 1230 1 1 3 LEU CA C -0.711 0.753 -1.403 1.00 . A A . 3 LEU CA 1 1 10 1231 1 1 3 LEU CB C -0.584 -0.604 -2.104 1.00 . A A . 3 LEU CB 1 1 10 1232 1 1 3 LEU CD1 C -0.309 -0.641 -4.605 1.00 . A A . 3 LEU CD1 1 1 10 1233 1 1 3 LEU CD2 C 1.443 0.449 -3.187 1.00 . A A . 3 LEU CD2 1 1 10 1234 1 1 3 LEU CG C 0.418 -0.675 -3.268 1.00 . A A . 3 LEU CG 1 1 10 1235 1 1 3 LEU H H 0.516 -0.024 0.133 1.00 . A A . 3 LEU H 1 1 10 1236 1 1 3 LEU HA H -0.434 1.535 -2.093 1.00 . A A . 3 LEU HA 1 1 10 1237 1 1 3 LEU HB2 H -0.290 -1.333 -1.365 1.00 . A A . 3 LEU HB2 1 1 10 1238 1 1 3 LEU HB3 H -1.557 -0.879 -2.482 1.00 . A A . 3 LEU HB3 1 1 10 1239 1 1 3 LEU HD11 H -0.054 0.266 -5.133 1.00 . A A . 3 LEU HD11 1 1 10 1240 1 1 3 LEU HD12 H -1.375 -0.672 -4.438 1.00 . A A . 3 LEU HD12 1 1 10 1241 1 1 3 LEU HD13 H -0.013 -1.496 -5.196 1.00 . A A . 3 LEU HD13 1 1 10 1242 1 1 3 LEU HD21 H 1.815 0.525 -2.176 1.00 . A A . 3 LEU HD21 1 1 10 1243 1 1 3 LEU HD22 H 0.977 1.382 -3.470 1.00 . A A . 3 LEU HD22 1 1 10 1244 1 1 3 LEU HD23 H 2.262 0.238 -3.858 1.00 . A A . 3 LEU HD23 1 1 10 1245 1 1 3 LEU HG H 0.951 -1.613 -3.209 1.00 . A A . 3 LEU HG 1 1 10 1246 1 1 3 LEU N N 0.193 0.813 -0.264 1.00 . A A . 3 LEU N 1 1 10 1247 1 1 3 LEU O O -2.502 0.737 0.195 1.00 . A A . 3 LEU O 1 1 10 1248 1 1 4 PRO C C -5.105 0.463 -0.949 1.00 . A A . 4 PRO C 1 1 10 1249 1 1 4 PRO CA C -4.435 1.667 -1.597 1.00 . A A . 4 PRO CA 1 1 10 1250 1 1 4 PRO CB C -5.033 1.926 -2.980 1.00 . A A . 4 PRO CB 1 1 10 1251 1 1 4 PRO CD C -2.686 1.720 -3.294 1.00 . A A . 4 PRO CD 1 1 10 1252 1 1 4 PRO CG C -3.898 2.465 -3.776 1.00 . A A . 4 PRO CG 1 1 10 1253 1 1 4 PRO HA H -4.569 2.537 -0.971 1.00 . A A . 4 PRO HA 1 1 10 1254 1 1 4 PRO HB2 H -5.403 0.998 -3.394 1.00 . A A . 4 PRO HB2 1 1 10 1255 1 1 4 PRO HB3 H -5.837 2.640 -2.904 1.00 . A A . 4 PRO HB3 1 1 10 1256 1 1 4 PRO HD2 H -2.552 0.811 -3.860 1.00 . A A . 4 PRO HD2 1 1 10 1257 1 1 4 PRO HD3 H -1.808 2.343 -3.358 1.00 . A A . 4 PRO HD3 1 1 10 1258 1 1 4 PRO HG2 H -4.062 2.279 -4.828 1.00 . A A . 4 PRO HG2 1 1 10 1259 1 1 4 PRO HG3 H -3.787 3.523 -3.591 1.00 . A A . 4 PRO HG3 1 1 10 1260 1 1 4 PRO N N -3.019 1.421 -1.887 1.00 . A A . 4 PRO N 1 1 10 1261 1 1 4 PRO O O -5.927 0.607 -0.044 1.00 . A A . 4 PRO O 1 1 10 1262 1 1 5 TRP C C -4.282 -2.693 -0.027 1.00 . A A . 5 TRP C 1 1 10 1263 1 1 5 TRP CA C -5.308 -1.960 -0.889 1.00 . A A . 5 TRP CA 1 1 10 1264 1 1 5 TRP CB C -5.793 -2.878 -2.022 1.00 . A A . 5 TRP CB 1 1 10 1265 1 1 5 TRP CD1 C -6.424 -1.636 -4.179 1.00 . A A . 5 TRP CD1 1 1 10 1266 1 1 5 TRP CD2 C -4.351 -2.480 -4.178 1.00 . A A . 5 TRP CD2 1 1 10 1267 1 1 5 TRP CE2 C -4.572 -1.839 -5.412 1.00 . A A . 5 TRP CE2 1 1 10 1268 1 1 5 TRP CE3 C -3.115 -3.084 -3.945 1.00 . A A . 5 TRP CE3 1 1 10 1269 1 1 5 TRP CG C -5.549 -2.342 -3.405 1.00 . A A . 5 TRP CG 1 1 10 1270 1 1 5 TRP CH2 C -2.398 -2.390 -6.154 1.00 . A A . 5 TRP CH2 1 1 10 1271 1 1 5 TRP CZ2 C -3.600 -1.788 -6.410 1.00 . A A . 5 TRP CZ2 1 1 10 1272 1 1 5 TRP CZ3 C -2.151 -3.034 -4.934 1.00 . A A . 5 TRP CZ3 1 1 10 1273 1 1 5 TRP H H -4.084 -0.773 -2.142 1.00 . A A . 5 TRP H 1 1 10 1274 1 1 5 TRP HA H -6.152 -1.695 -0.269 1.00 . A A . 5 TRP HA 1 1 10 1275 1 1 5 TRP HB2 H -5.289 -3.829 -1.946 1.00 . A A . 5 TRP HB2 1 1 10 1276 1 1 5 TRP HB3 H -6.857 -3.035 -1.911 1.00 . A A . 5 TRP HB3 1 1 10 1277 1 1 5 TRP HD1 H -7.423 -1.365 -3.874 1.00 . A A . 5 TRP HD1 1 1 10 1278 1 1 5 TRP HE1 H -6.275 -0.834 -6.116 1.00 . A A . 5 TRP HE1 1 1 10 1279 1 1 5 TRP HE3 H -2.907 -3.580 -3.011 1.00 . A A . 5 TRP HE3 1 1 10 1280 1 1 5 TRP HH2 H -1.616 -2.376 -6.899 1.00 . A A . 5 TRP HH2 1 1 10 1281 1 1 5 TRP HZ2 H -3.776 -1.296 -7.355 1.00 . A A . 5 TRP HZ2 1 1 10 1282 1 1 5 TRP HZ3 H -1.189 -3.498 -4.771 1.00 . A A . 5 TRP HZ3 1 1 10 1283 1 1 5 TRP N N -4.745 -0.726 -1.420 1.00 . A A . 5 TRP N 1 1 10 1284 1 1 5 TRP NE1 N -5.846 -1.333 -5.389 1.00 . A A . 5 TRP NE1 1 1 10 1285 1 1 5 TRP O O -4.244 -3.922 0.002 1.00 . A A . 5 TRP O 1 1 10 1286 1 1 6 SER C C -1.445 -3.348 0.739 1.00 . A A . 6 SER C 1 1 10 1287 1 1 6 SER CA C -2.423 -2.494 1.539 1.00 . A A . 6 SER CA 1 1 10 1288 1 1 6 SER CB C -3.061 -3.333 2.647 1.00 . A A . 6 SER CB 1 1 10 1289 1 1 6 SER H H -3.534 -0.950 0.607 1.00 . A A . 6 SER H 1 1 10 1290 1 1 6 SER HA H -1.881 -1.676 1.988 1.00 . A A . 6 SER HA 1 1 10 1291 1 1 6 SER HB2 H -3.495 -2.677 3.387 1.00 . A A . 6 SER HB2 1 1 10 1292 1 1 6 SER HB3 H -3.832 -3.959 2.224 1.00 . A A . 6 SER HB3 1 1 10 1293 1 1 6 SER HG H -2.514 -4.649 3.992 1.00 . A A . 6 SER HG 1 1 10 1294 1 1 6 SER N N -3.452 -1.925 0.674 1.00 . A A . 6 SER N 1 1 10 1295 1 1 6 SER O O -1.736 -4.495 0.402 1.00 . A A . 6 SER O 1 1 10 1296 1 1 6 SER OG O -2.098 -4.159 3.279 1.00 . A A . 6 SER OG 1 1 10 1297 1 1 7 ASP C C 2.048 -2.688 -0.332 1.00 . A A . 7 ASP C 1 1 10 1298 1 1 7 ASP CA C 0.746 -3.484 -0.316 1.00 . A A . 7 ASP CA 1 1 10 1299 1 1 7 ASP CB C 0.267 -3.742 -1.747 1.00 . A A . 7 ASP CB 1 1 10 1300 1 1 7 ASP CG C -0.054 -5.203 -1.993 1.00 . A A . 7 ASP CG 1 1 10 1301 1 1 7 ASP H H -0.109 -1.862 0.741 1.00 . A A . 7 ASP H 1 1 10 1302 1 1 7 ASP HA H 0.924 -4.431 0.170 1.00 . A A . 7 ASP HA 1 1 10 1303 1 1 7 ASP HB2 H -0.624 -3.163 -1.934 1.00 . A A . 7 ASP HB2 1 1 10 1304 1 1 7 ASP HB3 H 1.040 -3.440 -2.440 1.00 . A A . 7 ASP HB3 1 1 10 1305 1 1 7 ASP N N -0.281 -2.779 0.442 1.00 . A A . 7 ASP N 1 1 10 1306 1 1 7 ASP O O 2.094 -1.564 -0.831 1.00 . A A . 7 ASP O 1 1 10 1307 1 1 7 ASP OD1 O -0.251 -5.941 -1.004 1.00 . A A . 7 ASP OD1 1 1 10 1308 1 1 7 ASP OD2 O -0.106 -5.610 -3.172 1.00 . A A . 7 ASP OD2 1 1 10 1309 1 1 8 GLY C C 4.931 -2.483 1.676 1.00 . A A . 8 GLY C 1 1 10 1310 1 1 8 GLY CA C 4.392 -2.615 0.262 1.00 . A A . 8 GLY CA 1 1 10 1311 1 1 8 GLY H H 3.005 -4.177 0.603 1.00 . A A . 8 GLY H 1 1 10 1312 1 1 8 GLY HA2 H 5.096 -3.184 -0.328 1.00 . A A . 8 GLY HA2 1 1 10 1313 1 1 8 GLY HA3 H 4.290 -1.631 -0.169 1.00 . A A . 8 GLY HA3 1 1 10 1314 1 1 8 GLY N N 3.103 -3.280 0.220 1.00 . A A . 8 GLY N 1 1 10 1315 1 1 8 GLY O O 4.989 -3.469 2.411 1.00 . A A . 8 GLY O 1 1 10 1316 1 1 9 PRO C C 4.761 -0.936 4.486 1.00 . A A . 9 PRO C 1 1 10 1317 1 1 9 PRO CA C 5.867 -1.037 3.440 1.00 . A A . 9 PRO CA 1 1 10 1318 1 1 9 PRO CB C 6.594 0.298 3.291 1.00 . A A . 9 PRO CB 1 1 10 1319 1 1 9 PRO CD C 5.303 -0.027 1.295 1.00 . A A . 9 PRO CD 1 1 10 1320 1 1 9 PRO CG C 5.823 1.024 2.243 1.00 . A A . 9 PRO CG 1 1 10 1321 1 1 9 PRO HA H 6.568 -1.806 3.729 1.00 . A A . 9 PRO HA 1 1 10 1322 1 1 9 PRO HB2 H 6.581 0.827 4.232 1.00 . A A . 9 PRO HB2 1 1 10 1323 1 1 9 PRO HB3 H 7.613 0.124 2.980 1.00 . A A . 9 PRO HB3 1 1 10 1324 1 1 9 PRO HD2 H 4.294 0.208 0.990 1.00 . A A . 9 PRO HD2 1 1 10 1325 1 1 9 PRO HD3 H 5.949 -0.110 0.433 1.00 . A A . 9 PRO HD3 1 1 10 1326 1 1 9 PRO HG2 H 5.001 1.558 2.697 1.00 . A A . 9 PRO HG2 1 1 10 1327 1 1 9 PRO HG3 H 6.473 1.710 1.720 1.00 . A A . 9 PRO HG3 1 1 10 1328 1 1 9 PRO N N 5.335 -1.269 2.095 1.00 . A A . 9 PRO N 1 1 10 1329 1 1 9 PRO O O 4.653 0.062 5.199 1.00 . A A . 9 PRO O 1 1 10 1330 1 1 10 CYS C C 3.251 -2.666 6.826 1.00 . A A . 10 CYS C 1 1 10 1331 1 1 10 CYS CA C 2.831 -2.009 5.514 1.00 . A A . 10 CYS CA 1 1 10 1332 1 1 10 CYS CB C 1.644 -2.761 4.909 1.00 . A A . 10 CYS CB 1 1 10 1333 1 1 10 CYS H H 4.071 -2.739 3.966 1.00 . A A . 10 CYS H 1 1 10 1334 1 1 10 CYS HA H 2.535 -0.990 5.713 1.00 . A A . 10 CYS HA 1 1 10 1335 1 1 10 CYS HB2 H 2.015 -3.585 4.317 1.00 . A A . 10 CYS HB2 1 1 10 1336 1 1 10 CYS HB3 H 1.028 -3.147 5.707 1.00 . A A . 10 CYS HB3 1 1 10 1337 1 1 10 CYS N N 3.936 -1.976 4.565 1.00 . A A . 10 CYS N 1 1 10 1338 1 1 10 CYS O O 2.358 -2.981 7.641 1.00 . A A . 10 CYS O 1 1 10 1339 1 1 10 CYS OXT O 4.468 -2.857 7.029 1.00 . A A . 10 CYS OXT 1 1 10 1340 1 1 10 CYS SG S 0.586 -1.740 3.833 1.00 . A A . 10 CYS SG 1 1 11 1341 1 1 1 ALA C C 0.757 1.929 3.157 1.00 . A A . 1 ALA C 1 1 11 1342 1 1 1 ALA CA C 0.339 0.839 4.138 1.00 . A A . 1 ALA CA 1 1 11 1343 1 1 1 ALA CB C -0.296 1.457 5.376 1.00 . A A . 1 ALA CB 1 1 11 1344 1 1 1 ALA H1 H 1.225 -0.556 5.363 1.00 . A A . 1 ALA H1 1 1 11 1345 1 1 1 ALA H2 H 2.297 0.627 4.731 1.00 . A A . 1 ALA H2 1 1 11 1346 1 1 1 ALA H3 H 1.713 -0.632 3.722 1.00 . A A . 1 ALA H3 1 1 11 1347 1 1 1 ALA HA H -0.399 0.211 3.664 1.00 . A A . 1 ALA HA 1 1 11 1348 1 1 1 ALA HB1 H -0.665 0.672 6.020 1.00 . A A . 1 ALA HB1 1 1 11 1349 1 1 1 ALA HB2 H -1.114 2.096 5.080 1.00 . A A . 1 ALA HB2 1 1 11 1350 1 1 1 ALA HB3 H 0.443 2.040 5.906 1.00 . A A . 1 ALA HB3 1 1 11 1351 1 1 1 ALA N N 1.498 -0.007 4.523 1.00 . A A . 1 ALA N 1 1 11 1352 1 1 1 ALA O O 0.401 3.096 3.321 1.00 . A A . 1 ALA O 1 1 11 1353 1 1 2 CYS C C 1.036 2.585 -0.041 1.00 . A A . 2 CYS C 1 1 11 1354 1 1 2 CYS CA C 1.987 2.484 1.141 1.00 . A A . 2 CYS CA 1 1 11 1355 1 1 2 CYS CB C 3.383 2.083 0.679 1.00 . A A . 2 CYS CB 1 1 11 1356 1 1 2 CYS H H 1.780 0.606 2.054 1.00 . A A . 2 CYS H 1 1 11 1357 1 1 2 CYS HA H 2.030 3.437 1.607 1.00 . A A . 2 CYS HA 1 1 11 1358 1 1 2 CYS HB2 H 3.689 1.202 1.225 1.00 . A A . 2 CYS HB2 1 1 11 1359 1 1 2 CYS HB3 H 3.350 1.849 -0.367 1.00 . A A . 2 CYS HB3 1 1 11 1360 1 1 2 CYS N N 1.520 1.544 2.138 1.00 . A A . 2 CYS N 1 1 11 1361 1 1 2 CYS O O 1.186 3.453 -0.901 1.00 . A A . 2 CYS O 1 1 11 1362 1 1 2 CYS SG S 4.657 3.358 0.943 1.00 . A A . 2 CYS SG 1 1 11 1363 1 1 3 LEU C C -2.285 1.186 -0.662 1.00 . A A . 3 LEU C 1 1 11 1364 1 1 3 LEU CA C -0.924 1.693 -1.148 1.00 . A A . 3 LEU CA 1 1 11 1365 1 1 3 LEU CB C -0.425 0.838 -2.309 1.00 . A A . 3 LEU CB 1 1 11 1366 1 1 3 LEU CD1 C 1.084 0.571 -4.290 1.00 . A A . 3 LEU CD1 1 1 11 1367 1 1 3 LEU CD2 C 0.206 2.831 -3.681 1.00 . A A . 3 LEU CD2 1 1 11 1368 1 1 3 LEU CG C 0.674 1.486 -3.149 1.00 . A A . 3 LEU CG 1 1 11 1369 1 1 3 LEU H H 0.007 1.044 0.645 1.00 . A A . 3 LEU H 1 1 11 1370 1 1 3 LEU HA H -1.038 2.709 -1.491 1.00 . A A . 3 LEU HA 1 1 11 1371 1 1 3 LEU HB2 H -0.045 -0.088 -1.907 1.00 . A A . 3 LEU HB2 1 1 11 1372 1 1 3 LEU HB3 H -1.260 0.618 -2.955 1.00 . A A . 3 LEU HB3 1 1 11 1373 1 1 3 LEU HD11 H 1.782 -0.168 -3.924 1.00 . A A . 3 LEU HD11 1 1 11 1374 1 1 3 LEU HD12 H 1.551 1.154 -5.069 1.00 . A A . 3 LEU HD12 1 1 11 1375 1 1 3 LEU HD13 H 0.209 0.076 -4.685 1.00 . A A . 3 LEU HD13 1 1 11 1376 1 1 3 LEU HD21 H 0.146 3.538 -2.867 1.00 . A A . 3 LEU HD21 1 1 11 1377 1 1 3 LEU HD22 H -0.769 2.719 -4.133 1.00 . A A . 3 LEU HD22 1 1 11 1378 1 1 3 LEU HD23 H 0.907 3.190 -4.419 1.00 . A A . 3 LEU HD23 1 1 11 1379 1 1 3 LEU HG H 1.541 1.655 -2.528 1.00 . A A . 3 LEU HG 1 1 11 1380 1 1 3 LEU N N 0.062 1.701 -0.072 1.00 . A A . 3 LEU N 1 1 11 1381 1 1 3 LEU O O -2.360 0.289 0.177 1.00 . A A . 3 LEU O 1 1 11 1382 1 1 4 PRO C C -5.028 -0.108 -1.053 1.00 . A A . 4 PRO C 1 1 11 1383 1 1 4 PRO CA C -4.749 1.370 -0.806 1.00 . A A . 4 PRO CA 1 1 11 1384 1 1 4 PRO CB C -5.638 2.228 -1.712 1.00 . A A . 4 PRO CB 1 1 11 1385 1 1 4 PRO CD C -3.387 2.838 -2.197 1.00 . A A . 4 PRO CD 1 1 11 1386 1 1 4 PRO CG C -4.784 3.380 -2.108 1.00 . A A . 4 PRO CG 1 1 11 1387 1 1 4 PRO HA H -4.952 1.605 0.228 1.00 . A A . 4 PRO HA 1 1 11 1388 1 1 4 PRO HB2 H -5.943 1.649 -2.572 1.00 . A A . 4 PRO HB2 1 1 11 1389 1 1 4 PRO HB3 H -6.509 2.553 -1.163 1.00 . A A . 4 PRO HB3 1 1 11 1390 1 1 4 PRO HD2 H -3.197 2.444 -3.185 1.00 . A A . 4 PRO HD2 1 1 11 1391 1 1 4 PRO HD3 H -2.669 3.603 -1.947 1.00 . A A . 4 PRO HD3 1 1 11 1392 1 1 4 PRO HG2 H -5.101 3.761 -3.068 1.00 . A A . 4 PRO HG2 1 1 11 1393 1 1 4 PRO HG3 H -4.838 4.155 -1.358 1.00 . A A . 4 PRO HG3 1 1 11 1394 1 1 4 PRO N N -3.384 1.761 -1.189 1.00 . A A . 4 PRO N 1 1 11 1395 1 1 4 PRO O O -5.388 -0.845 -0.135 1.00 . A A . 4 PRO O 1 1 11 1396 1 1 5 TRP C C -3.798 -2.720 -2.665 1.00 . A A . 5 TRP C 1 1 11 1397 1 1 5 TRP CA C -5.100 -1.924 -2.674 1.00 . A A . 5 TRP CA 1 1 11 1398 1 1 5 TRP CB C -5.766 -2.018 -4.055 1.00 . A A . 5 TRP CB 1 1 11 1399 1 1 5 TRP CD1 C -6.487 0.092 -5.324 1.00 . A A . 5 TRP CD1 1 1 11 1400 1 1 5 TRP CD2 C -4.307 -0.385 -5.498 1.00 . A A . 5 TRP CD2 1 1 11 1401 1 1 5 TRP CE2 C -4.571 0.785 -6.236 1.00 . A A . 5 TRP CE2 1 1 11 1402 1 1 5 TRP CE3 C -3.001 -0.876 -5.460 1.00 . A A . 5 TRP CE3 1 1 11 1403 1 1 5 TRP CG C -5.547 -0.814 -4.925 1.00 . A A . 5 TRP CG 1 1 11 1404 1 1 5 TRP CH2 C -2.305 0.964 -6.875 1.00 . A A . 5 TRP CH2 1 1 11 1405 1 1 5 TRP CZ2 C -3.576 1.468 -6.930 1.00 . A A . 5 TRP CZ2 1 1 11 1406 1 1 5 TRP CZ3 C -2.013 -0.197 -6.149 1.00 . A A . 5 TRP CZ3 1 1 11 1407 1 1 5 TRP H H -4.574 0.106 -2.985 1.00 . A A . 5 TRP H 1 1 11 1408 1 1 5 TRP HA H -5.766 -2.349 -1.938 1.00 . A A . 5 TRP HA 1 1 11 1409 1 1 5 TRP HB2 H -5.374 -2.877 -4.577 1.00 . A A . 5 TRP HB2 1 1 11 1410 1 1 5 TRP HB3 H -6.831 -2.142 -3.922 1.00 . A A . 5 TRP HB3 1 1 11 1411 1 1 5 TRP HD1 H -7.530 0.044 -5.052 1.00 . A A . 5 TRP HD1 1 1 11 1412 1 1 5 TRP HE1 H -6.377 1.812 -6.524 1.00 . A A . 5 TRP HE1 1 1 11 1413 1 1 5 TRP HE3 H -2.757 -1.769 -4.905 1.00 . A A . 5 TRP HE3 1 1 11 1414 1 1 5 TRP HH2 H -1.502 1.462 -7.398 1.00 . A A . 5 TRP HH2 1 1 11 1415 1 1 5 TRP HZ2 H -3.785 2.365 -7.494 1.00 . A A . 5 TRP HZ2 1 1 11 1416 1 1 5 TRP HZ3 H -0.997 -0.563 -6.131 1.00 . A A . 5 TRP HZ3 1 1 11 1417 1 1 5 TRP N N -4.862 -0.532 -2.301 1.00 . A A . 5 TRP N 1 1 11 1418 1 1 5 TRP NE1 N -5.909 1.055 -6.115 1.00 . A A . 5 TRP NE1 1 1 11 1419 1 1 5 TRP O O -3.645 -3.689 -3.409 1.00 . A A . 5 TRP O 1 1 11 1420 1 1 6 SER C C -0.727 -2.290 -0.632 1.00 . A A . 6 SER C 1 1 11 1421 1 1 6 SER CA C -1.577 -2.972 -1.693 1.00 . A A . 6 SER CA 1 1 11 1422 1 1 6 SER CB C -0.840 -2.965 -3.031 1.00 . A A . 6 SER CB 1 1 11 1423 1 1 6 SER H H -3.052 -1.528 -1.245 1.00 . A A . 6 SER H 1 1 11 1424 1 1 6 SER HA H -1.757 -3.994 -1.394 1.00 . A A . 6 SER HA 1 1 11 1425 1 1 6 SER HB2 H 0.057 -3.558 -2.945 1.00 . A A . 6 SER HB2 1 1 11 1426 1 1 6 SER HB3 H -1.477 -3.380 -3.793 1.00 . A A . 6 SER HB3 1 1 11 1427 1 1 6 SER HG H 0.450 -1.506 -3.199 1.00 . A A . 6 SER HG 1 1 11 1428 1 1 6 SER N N -2.867 -2.304 -1.813 1.00 . A A . 6 SER N 1 1 11 1429 1 1 6 SER O O 0.426 -1.937 -0.881 1.00 . A A . 6 SER O 1 1 11 1430 1 1 6 SER OG O -0.475 -1.651 -3.407 1.00 . A A . 6 SER OG 1 1 11 1431 1 1 7 ASP C C 0.877 -1.643 1.609 1.00 . A A . 7 ASP C 1 1 11 1432 1 1 7 ASP CA C -0.637 -1.449 1.669 1.00 . A A . 7 ASP CA 1 1 11 1433 1 1 7 ASP CB C -1.185 -1.982 2.995 1.00 . A A . 7 ASP CB 1 1 11 1434 1 1 7 ASP CG C -2.513 -1.353 3.367 1.00 . A A . 7 ASP CG 1 1 11 1435 1 1 7 ASP H H -2.240 -2.403 0.668 1.00 . A A . 7 ASP H 1 1 11 1436 1 1 7 ASP HA H -0.848 -0.392 1.604 1.00 . A A . 7 ASP HA 1 1 11 1437 1 1 7 ASP HB2 H -1.324 -3.050 2.917 1.00 . A A . 7 ASP HB2 1 1 11 1438 1 1 7 ASP HB3 H -0.475 -1.773 3.781 1.00 . A A . 7 ASP HB3 1 1 11 1439 1 1 7 ASP N N -1.315 -2.101 0.548 1.00 . A A . 7 ASP N 1 1 11 1440 1 1 7 ASP O O 1.598 -0.771 1.125 1.00 . A A . 7 ASP O 1 1 11 1441 1 1 7 ASP OD1 O -3.274 -0.984 2.448 1.00 . A A . 7 ASP OD1 1 1 11 1442 1 1 7 ASP OD2 O -2.793 -1.229 4.578 1.00 . A A . 7 ASP OD2 1 1 11 1443 1 1 8 GLY C C 3.565 -2.099 2.946 1.00 . A A . 8 GLY C 1 1 11 1444 1 1 8 GLY CA C 2.774 -3.066 2.080 1.00 . A A . 8 GLY CA 1 1 11 1445 1 1 8 GLY H H 0.728 -3.448 2.465 1.00 . A A . 8 GLY H 1 1 11 1446 1 1 8 GLY HA2 H 2.935 -4.072 2.437 1.00 . A A . 8 GLY HA2 1 1 11 1447 1 1 8 GLY HA3 H 3.131 -2.995 1.064 1.00 . A A . 8 GLY HA3 1 1 11 1448 1 1 8 GLY N N 1.350 -2.787 2.096 1.00 . A A . 8 GLY N 1 1 11 1449 1 1 8 GLY O O 3.513 -0.889 2.727 1.00 . A A . 8 GLY O 1 1 11 1450 1 1 9 PRO C C 6.325 -1.156 4.132 1.00 . A A . 9 PRO C 1 1 11 1451 1 1 9 PRO CA C 5.111 -1.753 4.835 1.00 . A A . 9 PRO CA 1 1 11 1452 1 1 9 PRO CB C 5.553 -2.714 5.940 1.00 . A A . 9 PRO CB 1 1 11 1453 1 1 9 PRO CD C 4.439 -4.033 4.286 1.00 . A A . 9 PRO CD 1 1 11 1454 1 1 9 PRO CG C 5.555 -4.055 5.295 1.00 . A A . 9 PRO CG 1 1 11 1455 1 1 9 PRO HA H 4.516 -0.958 5.261 1.00 . A A . 9 PRO HA 1 1 11 1456 1 1 9 PRO HB2 H 6.539 -2.439 6.287 1.00 . A A . 9 PRO HB2 1 1 11 1457 1 1 9 PRO HB3 H 4.852 -2.672 6.760 1.00 . A A . 9 PRO HB3 1 1 11 1458 1 1 9 PRO HD2 H 4.705 -4.614 3.416 1.00 . A A . 9 PRO HD2 1 1 11 1459 1 1 9 PRO HD3 H 3.526 -4.405 4.726 1.00 . A A . 9 PRO HD3 1 1 11 1460 1 1 9 PRO HG2 H 6.502 -4.225 4.803 1.00 . A A . 9 PRO HG2 1 1 11 1461 1 1 9 PRO HG3 H 5.375 -4.820 6.036 1.00 . A A . 9 PRO HG3 1 1 11 1462 1 1 9 PRO N N 4.312 -2.602 3.945 1.00 . A A . 9 PRO N 1 1 11 1463 1 1 9 PRO O O 7.326 -1.839 3.914 1.00 . A A . 9 PRO O 1 1 11 1464 1 1 10 CYS C C 8.545 0.913 4.005 1.00 . A A . 10 CYS C 1 1 11 1465 1 1 10 CYS CA C 7.322 0.810 3.100 1.00 . A A . 10 CYS CA 1 1 11 1466 1 1 10 CYS CB C 6.878 2.206 2.659 1.00 . A A . 10 CYS CB 1 1 11 1467 1 1 10 CYS H H 5.406 0.614 3.979 1.00 . A A . 10 CYS H 1 1 11 1468 1 1 10 CYS HA H 7.584 0.233 2.225 1.00 . A A . 10 CYS HA 1 1 11 1469 1 1 10 CYS HB2 H 6.026 2.508 3.250 1.00 . A A . 10 CYS HB2 1 1 11 1470 1 1 10 CYS HB3 H 7.687 2.903 2.823 1.00 . A A . 10 CYS HB3 1 1 11 1471 1 1 10 CYS N N 6.230 0.122 3.778 1.00 . A A . 10 CYS N 1 1 11 1472 1 1 10 CYS O O 9.637 0.487 3.574 1.00 . A A . 10 CYS O 1 1 11 1473 1 1 10 CYS OXT O 8.400 1.419 5.138 1.00 . A A . 10 CYS OXT 1 1 11 1474 1 1 10 CYS SG S 6.399 2.315 0.905 1.00 . A A . 10 CYS SG 1 1 12 1475 1 1 1 ALA C C 2.245 4.111 1.466 1.00 . A A . 1 ALA C 1 1 12 1476 1 1 1 ALA CA C 3.026 5.268 2.079 1.00 . A A . 1 ALA CA 1 1 12 1477 1 1 1 ALA CB C 2.284 5.826 3.285 1.00 . A A . 1 ALA CB 1 1 12 1478 1 1 1 ALA H1 H 3.686 5.903 0.237 1.00 . A A . 1 ALA H1 1 1 12 1479 1 1 1 ALA H2 H 3.903 7.038 1.506 1.00 . A A . 1 ALA H2 1 1 12 1480 1 1 1 ALA H3 H 2.340 6.769 0.851 1.00 . A A . 1 ALA H3 1 1 12 1481 1 1 1 ALA HA H 3.985 4.902 2.415 1.00 . A A . 1 ALA HA 1 1 12 1482 1 1 1 ALA HB1 H 2.446 6.892 3.345 1.00 . A A . 1 ALA HB1 1 1 12 1483 1 1 1 ALA HB2 H 2.653 5.354 4.183 1.00 . A A . 1 ALA HB2 1 1 12 1484 1 1 1 ALA HB3 H 1.228 5.627 3.181 1.00 . A A . 1 ALA HB3 1 1 12 1485 1 1 1 ALA N N 3.260 6.341 1.078 1.00 . A A . 1 ALA N 1 1 12 1486 1 1 1 ALA O O 1.752 4.212 0.343 1.00 . A A . 1 ALA O 1 1 12 1487 1 1 2 CYS C C 0.206 2.171 0.936 1.00 . A A . 2 CYS C 1 1 12 1488 1 1 2 CYS CA C 1.443 1.814 1.760 1.00 . A A . 2 CYS CA 1 1 12 1489 1 1 2 CYS CB C 1.031 0.942 2.955 1.00 . A A . 2 CYS CB 1 1 12 1490 1 1 2 CYS H H 2.576 2.989 3.086 1.00 . A A . 2 CYS H 1 1 12 1491 1 1 2 CYS HA H 2.121 1.250 1.137 1.00 . A A . 2 CYS HA 1 1 12 1492 1 1 2 CYS HB2 H -0.036 0.791 2.936 1.00 . A A . 2 CYS HB2 1 1 12 1493 1 1 2 CYS HB3 H 1.523 -0.005 2.854 1.00 . A A . 2 CYS HB3 1 1 12 1494 1 1 2 CYS N N 2.149 3.008 2.211 1.00 . A A . 2 CYS N 1 1 12 1495 1 1 2 CYS O O -0.404 3.221 1.139 1.00 . A A . 2 CYS O 1 1 12 1496 1 1 2 CYS SG S 1.465 1.594 4.607 1.00 . A A . 2 CYS SG 1 1 12 1497 1 1 3 LEU C C -2.570 0.886 -0.246 1.00 . A A . 3 LEU C 1 1 12 1498 1 1 3 LEU CA C -1.316 1.518 -0.847 1.00 . A A . 3 LEU CA 1 1 12 1499 1 1 3 LEU CB C -1.066 0.949 -2.245 1.00 . A A . 3 LEU CB 1 1 12 1500 1 1 3 LEU CD1 C 0.512 0.809 -4.187 1.00 . A A . 3 LEU CD1 1 1 12 1501 1 1 3 LEU CD2 C -0.606 2.977 -3.639 1.00 . A A . 3 LEU CD2 1 1 12 1502 1 1 3 LEU CG C -0.018 1.695 -3.071 1.00 . A A . 3 LEU CG 1 1 12 1503 1 1 3 LEU H H 0.374 0.473 -0.108 1.00 . A A . 3 LEU H 1 1 12 1504 1 1 3 LEU HA H -1.466 2.584 -0.925 1.00 . A A . 3 LEU HA 1 1 12 1505 1 1 3 LEU HB2 H -0.748 -0.078 -2.141 1.00 . A A . 3 LEU HB2 1 1 12 1506 1 1 3 LEU HB3 H -1.998 0.965 -2.789 1.00 . A A . 3 LEU HB3 1 1 12 1507 1 1 3 LEU HD11 H 0.390 -0.229 -3.911 1.00 . A A . 3 LEU HD11 1 1 12 1508 1 1 3 LEU HD12 H 1.559 1.018 -4.347 1.00 . A A . 3 LEU HD12 1 1 12 1509 1 1 3 LEU HD13 H -0.038 1.006 -5.096 1.00 . A A . 3 LEU HD13 1 1 12 1510 1 1 3 LEU HD21 H -1.302 3.399 -2.929 1.00 . A A . 3 LEU HD21 1 1 12 1511 1 1 3 LEU HD22 H -1.122 2.758 -4.562 1.00 . A A . 3 LEU HD22 1 1 12 1512 1 1 3 LEU HD23 H 0.187 3.684 -3.829 1.00 . A A . 3 LEU HD23 1 1 12 1513 1 1 3 LEU HG H 0.812 1.960 -2.432 1.00 . A A . 3 LEU HG 1 1 12 1514 1 1 3 LEU N N -0.154 1.292 0.007 1.00 . A A . 3 LEU N 1 1 12 1515 1 1 3 LEU O O -2.485 -0.079 0.513 1.00 . A A . 3 LEU O 1 1 12 1516 1 1 4 PRO C C -5.258 -0.550 -0.450 1.00 . A A . 4 PRO C 1 1 12 1517 1 1 4 PRO CA C -5.032 0.909 -0.070 1.00 . A A . 4 PRO CA 1 1 12 1518 1 1 4 PRO CB C -6.083 1.801 -0.741 1.00 . A A . 4 PRO CB 1 1 12 1519 1 1 4 PRO CD C -3.949 2.577 -1.478 1.00 . A A . 4 PRO CD 1 1 12 1520 1 1 4 PRO CG C -5.345 3.026 -1.155 1.00 . A A . 4 PRO CG 1 1 12 1521 1 1 4 PRO HA H -5.099 1.014 1.003 1.00 . A A . 4 PRO HA 1 1 12 1522 1 1 4 PRO HB2 H -6.502 1.286 -1.593 1.00 . A A . 4 PRO HB2 1 1 12 1523 1 1 4 PRO HB3 H -6.865 2.032 -0.034 1.00 . A A . 4 PRO HB3 1 1 12 1524 1 1 4 PRO HD2 H -3.879 2.277 -2.514 1.00 . A A . 4 PRO HD2 1 1 12 1525 1 1 4 PRO HD3 H -3.240 3.360 -1.260 1.00 . A A . 4 PRO HD3 1 1 12 1526 1 1 4 PRO HG2 H -5.811 3.459 -2.028 1.00 . A A . 4 PRO HG2 1 1 12 1527 1 1 4 PRO HG3 H -5.331 3.739 -0.344 1.00 . A A . 4 PRO HG3 1 1 12 1528 1 1 4 PRO N N -3.756 1.425 -0.580 1.00 . A A . 4 PRO N 1 1 12 1529 1 1 4 PRO O O -5.575 -1.382 0.400 1.00 . A A . 4 PRO O 1 1 12 1530 1 1 5 TRP C C -3.935 -2.894 -2.468 1.00 . A A . 5 TRP C 1 1 12 1531 1 1 5 TRP CA C -5.280 -2.214 -2.229 1.00 . A A . 5 TRP CA 1 1 12 1532 1 1 5 TRP CB C -6.108 -2.219 -3.522 1.00 . A A . 5 TRP CB 1 1 12 1533 1 1 5 TRP CD1 C -7.115 -0.098 -4.554 1.00 . A A . 5 TRP CD1 1 1 12 1534 1 1 5 TRP CD2 C -4.909 -0.314 -4.870 1.00 . A A . 5 TRP CD2 1 1 12 1535 1 1 5 TRP CE2 C -5.335 0.880 -5.482 1.00 . A A . 5 TRP CE2 1 1 12 1536 1 1 5 TRP CE3 C -3.557 -0.660 -4.939 1.00 . A A . 5 TRP CE3 1 1 12 1537 1 1 5 TRP CG C -6.063 -0.926 -4.283 1.00 . A A . 5 TRP CG 1 1 12 1538 1 1 5 TRP CH2 C -3.139 1.365 -6.203 1.00 . A A . 5 TRP CH2 1 1 12 1539 1 1 5 TRP CZ2 C -4.457 1.729 -6.152 1.00 . A A . 5 TRP CZ2 1 1 12 1540 1 1 5 TRP CZ3 C -2.686 0.183 -5.604 1.00 . A A . 5 TRP CZ3 1 1 12 1541 1 1 5 TRP H H -4.839 -0.145 -2.360 1.00 . A A . 5 TRP H 1 1 12 1542 1 1 5 TRP HA H -5.814 -2.767 -1.471 1.00 . A A . 5 TRP HA 1 1 12 1543 1 1 5 TRP HB2 H -5.739 -2.997 -4.173 1.00 . A A . 5 TRP HB2 1 1 12 1544 1 1 5 TRP HB3 H -7.140 -2.425 -3.276 1.00 . A A . 5 TRP HB3 1 1 12 1545 1 1 5 TRP HD1 H -8.131 -0.285 -4.242 1.00 . A A . 5 TRP HD1 1 1 12 1546 1 1 5 TRP HE1 H -7.253 1.724 -5.589 1.00 . A A . 5 TRP HE1 1 1 12 1547 1 1 5 TRP HE3 H -3.189 -1.567 -4.482 1.00 . A A . 5 TRP HE3 1 1 12 1548 1 1 5 TRP HH2 H -2.424 1.993 -6.713 1.00 . A A . 5 TRP HH2 1 1 12 1549 1 1 5 TRP HZ2 H -4.791 2.644 -6.618 1.00 . A A . 5 TRP HZ2 1 1 12 1550 1 1 5 TRP HZ3 H -1.638 -0.069 -5.667 1.00 . A A . 5 TRP HZ3 1 1 12 1551 1 1 5 TRP N N -5.093 -0.853 -1.733 1.00 . A A . 5 TRP N 1 1 12 1552 1 1 5 TRP NE1 N -6.685 0.990 -5.275 1.00 . A A . 5 TRP NE1 1 1 12 1553 1 1 5 TRP O O -3.809 -3.756 -3.337 1.00 . A A . 5 TRP O 1 1 12 1554 1 1 6 SER C C -0.625 -2.342 -0.875 1.00 . A A . 6 SER C 1 1 12 1555 1 1 6 SER CA C -1.593 -3.065 -1.806 1.00 . A A . 6 SER CA 1 1 12 1556 1 1 6 SER CB C -1.096 -2.972 -3.252 1.00 . A A . 6 SER CB 1 1 12 1557 1 1 6 SER H H -3.100 -1.808 -1.013 1.00 . A A . 6 SER H 1 1 12 1558 1 1 6 SER HA H -1.646 -4.104 -1.517 1.00 . A A . 6 SER HA 1 1 12 1559 1 1 6 SER HB2 H -1.642 -3.674 -3.864 1.00 . A A . 6 SER HB2 1 1 12 1560 1 1 6 SER HB3 H -1.257 -1.970 -3.622 1.00 . A A . 6 SER HB3 1 1 12 1561 1 1 6 SER HG H 0.788 -2.459 -3.412 1.00 . A A . 6 SER HG 1 1 12 1562 1 1 6 SER N N -2.933 -2.499 -1.688 1.00 . A A . 6 SER N 1 1 12 1563 1 1 6 SER O O 0.369 -1.769 -1.320 1.00 . A A . 6 SER O 1 1 12 1564 1 1 6 SER OG O 0.286 -3.274 -3.336 1.00 . A A . 6 SER OG 1 1 12 1565 1 1 7 ASP C C 1.390 -1.910 1.147 1.00 . A A . 7 ASP C 1 1 12 1566 1 1 7 ASP CA C -0.098 -1.711 1.429 1.00 . A A . 7 ASP CA 1 1 12 1567 1 1 7 ASP CB C -0.438 -2.229 2.832 1.00 . A A . 7 ASP CB 1 1 12 1568 1 1 7 ASP CG C -0.806 -3.701 2.844 1.00 . A A . 7 ASP CG 1 1 12 1569 1 1 7 ASP H H -1.741 -2.840 0.709 1.00 . A A . 7 ASP H 1 1 12 1570 1 1 7 ASP HA H -0.315 -0.654 1.390 1.00 . A A . 7 ASP HA 1 1 12 1571 1 1 7 ASP HB2 H 0.418 -2.089 3.476 1.00 . A A . 7 ASP HB2 1 1 12 1572 1 1 7 ASP HB3 H -1.272 -1.665 3.223 1.00 . A A . 7 ASP HB3 1 1 12 1573 1 1 7 ASP N N -0.930 -2.369 0.422 1.00 . A A . 7 ASP N 1 1 12 1574 1 1 7 ASP O O 2.098 -0.957 0.820 1.00 . A A . 7 ASP O 1 1 12 1575 1 1 7 ASP OD1 O -0.374 -4.429 1.926 1.00 . A A . 7 ASP OD1 1 1 12 1576 1 1 7 ASP OD2 O -1.528 -4.125 3.772 1.00 . A A . 7 ASP OD2 1 1 12 1577 1 1 8 GLY C C 4.112 -3.264 2.269 1.00 . A A . 8 GLY C 1 1 12 1578 1 1 8 GLY CA C 3.258 -3.437 1.026 1.00 . A A . 8 GLY CA 1 1 12 1579 1 1 8 GLY H H 1.250 -3.869 1.534 1.00 . A A . 8 GLY H 1 1 12 1580 1 1 8 GLY HA2 H 3.348 -4.456 0.679 1.00 . A A . 8 GLY HA2 1 1 12 1581 1 1 8 GLY HA3 H 3.621 -2.772 0.257 1.00 . A A . 8 GLY HA3 1 1 12 1582 1 1 8 GLY N N 1.858 -3.148 1.273 1.00 . A A . 8 GLY N 1 1 12 1583 1 1 8 GLY O O 3.670 -3.582 3.373 1.00 . A A . 8 GLY O 1 1 12 1584 1 1 9 PRO C C 5.759 -1.452 4.195 1.00 . A A . 9 PRO C 1 1 12 1585 1 1 9 PRO CA C 6.253 -2.551 3.262 1.00 . A A . 9 PRO CA 1 1 12 1586 1 1 9 PRO CB C 7.573 -2.143 2.604 1.00 . A A . 9 PRO CB 1 1 12 1587 1 1 9 PRO CD C 5.965 -2.349 0.848 1.00 . A A . 9 PRO CD 1 1 12 1588 1 1 9 PRO CG C 7.183 -1.582 1.281 1.00 . A A . 9 PRO CG 1 1 12 1589 1 1 9 PRO HA H 6.394 -3.462 3.825 1.00 . A A . 9 PRO HA 1 1 12 1590 1 1 9 PRO HB2 H 8.070 -1.404 3.216 1.00 . A A . 9 PRO HB2 1 1 12 1591 1 1 9 PRO HB3 H 8.207 -3.011 2.492 1.00 . A A . 9 PRO HB3 1 1 12 1592 1 1 9 PRO HD2 H 5.298 -1.712 0.286 1.00 . A A . 9 PRO HD2 1 1 12 1593 1 1 9 PRO HD3 H 6.249 -3.211 0.264 1.00 . A A . 9 PRO HD3 1 1 12 1594 1 1 9 PRO HG2 H 6.950 -0.532 1.381 1.00 . A A . 9 PRO HG2 1 1 12 1595 1 1 9 PRO HG3 H 7.985 -1.722 0.571 1.00 . A A . 9 PRO HG3 1 1 12 1596 1 1 9 PRO N N 5.350 -2.758 2.125 1.00 . A A . 9 PRO N 1 1 12 1597 1 1 9 PRO O O 5.840 -0.267 3.873 1.00 . A A . 9 PRO O 1 1 12 1598 1 1 10 CYS C C 4.642 -1.544 7.713 1.00 . A A . 10 CYS C 1 1 12 1599 1 1 10 CYS CA C 4.734 -0.904 6.333 1.00 . A A . 10 CYS CA 1 1 12 1600 1 1 10 CYS CB C 3.359 -0.388 5.905 1.00 . A A . 10 CYS CB 1 1 12 1601 1 1 10 CYS H H 5.205 -2.813 5.550 1.00 . A A . 10 CYS H 1 1 12 1602 1 1 10 CYS HA H 5.422 -0.073 6.379 1.00 . A A . 10 CYS HA 1 1 12 1603 1 1 10 CYS HB2 H 2.842 -1.168 5.367 1.00 . A A . 10 CYS HB2 1 1 12 1604 1 1 10 CYS HB3 H 2.791 -0.129 6.787 1.00 . A A . 10 CYS HB3 1 1 12 1605 1 1 10 CYS N N 5.244 -1.854 5.352 1.00 . A A . 10 CYS N 1 1 12 1606 1 1 10 CYS O O 5.347 -2.548 7.947 1.00 . A A . 10 CYS O 1 1 12 1607 1 1 10 CYS OXT O 3.866 -1.037 8.550 1.00 . A A . 10 CYS OXT 1 1 12 1608 1 1 10 CYS SG S 3.416 1.082 4.830 1.00 . A A . 10 CYS SG 1 1 13 1609 1 1 1 ALA C C 2.754 4.053 2.194 1.00 . A A . 1 ALA C 1 1 13 1610 1 1 1 ALA CA C 3.027 5.450 2.742 1.00 . A A . 1 ALA CA 1 1 13 1611 1 1 1 ALA CB C 4.502 5.794 2.599 1.00 . A A . 1 ALA CB 1 1 13 1612 1 1 1 ALA H1 H 3.078 6.389 4.571 1.00 . A A . 1 ALA H1 1 1 13 1613 1 1 1 ALA H2 H 2.909 4.683 4.646 1.00 . A A . 1 ALA H2 1 1 13 1614 1 1 1 ALA H3 H 1.576 5.660 4.184 1.00 . A A . 1 ALA H3 1 1 13 1615 1 1 1 ALA HA H 2.458 6.167 2.167 1.00 . A A . 1 ALA HA 1 1 13 1616 1 1 1 ALA HB1 H 4.640 6.854 2.748 1.00 . A A . 1 ALA HB1 1 1 13 1617 1 1 1 ALA HB2 H 4.841 5.523 1.610 1.00 . A A . 1 ALA HB2 1 1 13 1618 1 1 1 ALA HB3 H 5.072 5.249 3.337 1.00 . A A . 1 ALA HB3 1 1 13 1619 1 1 1 ALA N N 2.610 5.555 4.164 1.00 . A A . 1 ALA N 1 1 13 1620 1 1 1 ALA O O 3.484 3.559 1.335 1.00 . A A . 1 ALA O 1 1 13 1621 1 1 2 CYS C C 0.455 2.143 1.013 1.00 . A A . 2 CYS C 1 1 13 1622 1 1 2 CYS CA C 1.322 2.090 2.267 1.00 . A A . 2 CYS CA 1 1 13 1623 1 1 2 CYS CB C 0.576 1.392 3.400 1.00 . A A . 2 CYS CB 1 1 13 1624 1 1 2 CYS H H 1.151 3.863 3.378 1.00 . A A . 2 CYS H 1 1 13 1625 1 1 2 CYS HA H 2.225 1.541 2.049 1.00 . A A . 2 CYS HA 1 1 13 1626 1 1 2 CYS HB2 H 0.527 2.061 4.247 1.00 . A A . 2 CYS HB2 1 1 13 1627 1 1 2 CYS HB3 H -0.422 1.168 3.075 1.00 . A A . 2 CYS HB3 1 1 13 1628 1 1 2 CYS N N 1.697 3.422 2.697 1.00 . A A . 2 CYS N 1 1 13 1629 1 1 2 CYS O O -0.034 3.206 0.629 1.00 . A A . 2 CYS O 1 1 13 1630 1 1 2 CYS SG S 1.354 -0.153 3.968 1.00 . A A . 2 CYS SG 1 1 13 1631 1 1 3 LEU C C -2.003 0.614 -0.502 1.00 . A A . 3 LEU C 1 1 13 1632 1 1 3 LEU CA C -0.539 0.913 -0.836 1.00 . A A . 3 LEU CA 1 1 13 1633 1 1 3 LEU CB C 0.016 -0.161 -1.773 1.00 . A A . 3 LEU CB 1 1 13 1634 1 1 3 LEU CD1 C 1.403 -0.662 -3.799 1.00 . A A . 3 LEU CD1 1 1 13 1635 1 1 3 LEU CD2 C -0.724 0.633 -4.031 1.00 . A A . 3 LEU CD2 1 1 13 1636 1 1 3 LEU CG C 0.475 0.347 -3.140 1.00 . A A . 3 LEU CG 1 1 13 1637 1 1 3 LEU H H 0.685 0.175 0.729 1.00 . A A . 3 LEU H 1 1 13 1638 1 1 3 LEU HA H -0.480 1.870 -1.329 1.00 . A A . 3 LEU HA 1 1 13 1639 1 1 3 LEU HB2 H 0.858 -0.633 -1.286 1.00 . A A . 3 LEU HB2 1 1 13 1640 1 1 3 LEU HB3 H -0.750 -0.907 -1.931 1.00 . A A . 3 LEU HB3 1 1 13 1641 1 1 3 LEU HD11 H 0.844 -1.257 -4.506 1.00 . A A . 3 LEU HD11 1 1 13 1642 1 1 3 LEU HD12 H 1.830 -1.306 -3.044 1.00 . A A . 3 LEU HD12 1 1 13 1643 1 1 3 LEU HD13 H 2.195 -0.139 -4.315 1.00 . A A . 3 LEU HD13 1 1 13 1644 1 1 3 LEU HD21 H -1.557 0.018 -3.722 1.00 . A A . 3 LEU HD21 1 1 13 1645 1 1 3 LEU HD22 H -0.472 0.409 -5.057 1.00 . A A . 3 LEU HD22 1 1 13 1646 1 1 3 LEU HD23 H -0.995 1.675 -3.945 1.00 . A A . 3 LEU HD23 1 1 13 1647 1 1 3 LEU HG H 1.023 1.268 -3.009 1.00 . A A . 3 LEU HG 1 1 13 1648 1 1 3 LEU N N 0.269 0.991 0.376 1.00 . A A . 3 LEU N 1 1 13 1649 1 1 3 LEU O O -2.302 -0.372 0.171 1.00 . A A . 3 LEU O 1 1 13 1650 1 1 4 PRO C C -4.878 -0.076 -1.193 1.00 . A A . 4 PRO C 1 1 13 1651 1 1 4 PRO CA C -4.373 1.280 -0.714 1.00 . A A . 4 PRO CA 1 1 13 1652 1 1 4 PRO CB C -5.030 2.397 -1.529 1.00 . A A . 4 PRO CB 1 1 13 1653 1 1 4 PRO CD C -2.676 2.668 -1.779 1.00 . A A . 4 PRO CD 1 1 13 1654 1 1 4 PRO CG C -3.968 3.427 -1.690 1.00 . A A . 4 PRO CG 1 1 13 1655 1 1 4 PRO HA H -4.610 1.404 0.332 1.00 . A A . 4 PRO HA 1 1 13 1656 1 1 4 PRO HB2 H -5.350 2.007 -2.485 1.00 . A A . 4 PRO HB2 1 1 13 1657 1 1 4 PRO HB3 H -5.880 2.788 -0.991 1.00 . A A . 4 PRO HB3 1 1 13 1658 1 1 4 PRO HD2 H -2.462 2.405 -2.804 1.00 . A A . 4 PRO HD2 1 1 13 1659 1 1 4 PRO HD3 H -1.869 3.248 -1.358 1.00 . A A . 4 PRO HD3 1 1 13 1660 1 1 4 PRO HG2 H -4.136 3.990 -2.596 1.00 . A A . 4 PRO HG2 1 1 13 1661 1 1 4 PRO HG3 H -3.959 4.084 -0.834 1.00 . A A . 4 PRO HG3 1 1 13 1662 1 1 4 PRO N N -2.938 1.464 -0.969 1.00 . A A . 4 PRO N 1 1 13 1663 1 1 4 PRO O O -5.686 -0.723 -0.527 1.00 . A A . 4 PRO O 1 1 13 1664 1 1 5 TRP C C -4.099 -2.929 -2.245 1.00 . A A . 5 TRP C 1 1 13 1665 1 1 5 TRP CA C -4.799 -1.768 -2.944 1.00 . A A . 5 TRP CA 1 1 13 1666 1 1 5 TRP CB C -4.486 -1.792 -4.445 1.00 . A A . 5 TRP CB 1 1 13 1667 1 1 5 TRP CD1 C -3.465 0.094 -5.850 1.00 . A A . 5 TRP CD1 1 1 13 1668 1 1 5 TRP CD2 C -5.473 0.580 -4.990 1.00 . A A . 5 TRP CD2 1 1 13 1669 1 1 5 TRP CE2 C -5.023 1.687 -5.736 1.00 . A A . 5 TRP CE2 1 1 13 1670 1 1 5 TRP CE3 C -6.715 0.657 -4.354 1.00 . A A . 5 TRP CE3 1 1 13 1671 1 1 5 TRP CG C -4.461 -0.431 -5.080 1.00 . A A . 5 TRP CG 1 1 13 1672 1 1 5 TRP CH2 C -6.985 2.901 -5.230 1.00 . A A . 5 TRP CH2 1 1 13 1673 1 1 5 TRP CZ2 C -5.773 2.854 -5.863 1.00 . A A . 5 TRP CZ2 1 1 13 1674 1 1 5 TRP CZ3 C -7.457 1.817 -4.481 1.00 . A A . 5 TRP CZ3 1 1 13 1675 1 1 5 TRP H H -3.760 0.074 -2.839 1.00 . A A . 5 TRP H 1 1 13 1676 1 1 5 TRP HA H -5.865 -1.873 -2.807 1.00 . A A . 5 TRP HA 1 1 13 1677 1 1 5 TRP HB2 H -3.517 -2.244 -4.595 1.00 . A A . 5 TRP HB2 1 1 13 1678 1 1 5 TRP HB3 H -5.234 -2.383 -4.952 1.00 . A A . 5 TRP HB3 1 1 13 1679 1 1 5 TRP HD1 H -2.554 -0.426 -6.100 1.00 . A A . 5 TRP HD1 1 1 13 1680 1 1 5 TRP HE1 H -3.243 1.947 -6.814 1.00 . A A . 5 TRP HE1 1 1 13 1681 1 1 5 TRP HE3 H -7.095 -0.168 -3.772 1.00 . A A . 5 TRP HE3 1 1 13 1682 1 1 5 TRP HH2 H -7.598 3.787 -5.301 1.00 . A A . 5 TRP HH2 1 1 13 1683 1 1 5 TRP HZ2 H -5.422 3.699 -6.438 1.00 . A A . 5 TRP HZ2 1 1 13 1684 1 1 5 TRP HZ3 H -8.419 1.894 -3.996 1.00 . A A . 5 TRP HZ3 1 1 13 1685 1 1 5 TRP N N -4.398 -0.493 -2.358 1.00 . A A . 5 TRP N 1 1 13 1686 1 1 5 TRP NE1 N -3.796 1.366 -6.251 1.00 . A A . 5 TRP NE1 1 1 13 1687 1 1 5 TRP O O -4.620 -4.044 -2.196 1.00 . A A . 5 TRP O 1 1 13 1688 1 1 6 SER C C -1.045 -3.024 -0.168 1.00 . A A . 6 SER C 1 1 13 1689 1 1 6 SER CA C -2.142 -3.674 -1.003 1.00 . A A . 6 SER CA 1 1 13 1690 1 1 6 SER CB C -1.528 -4.660 -1.998 1.00 . A A . 6 SER CB 1 1 13 1691 1 1 6 SER H H -2.557 -1.750 -1.775 1.00 . A A . 6 SER H 1 1 13 1692 1 1 6 SER HA H -2.812 -4.208 -0.345 1.00 . A A . 6 SER HA 1 1 13 1693 1 1 6 SER HB2 H -0.973 -4.114 -2.747 1.00 . A A . 6 SER HB2 1 1 13 1694 1 1 6 SER HB3 H -0.862 -5.329 -1.473 1.00 . A A . 6 SER HB3 1 1 13 1695 1 1 6 SER HG H -2.911 -4.916 -3.362 1.00 . A A . 6 SER HG 1 1 13 1696 1 1 6 SER N N -2.917 -2.658 -1.704 1.00 . A A . 6 SER N 1 1 13 1697 1 1 6 SER O O 0.000 -2.643 -0.693 1.00 . A A . 6 SER O 1 1 13 1698 1 1 6 SER OG O -2.530 -5.426 -2.643 1.00 . A A . 6 SER OG 1 1 13 1699 1 1 7 ASP C C 1.097 -2.671 1.723 1.00 . A A . 7 ASP C 1 1 13 1700 1 1 7 ASP CA C -0.341 -2.277 2.055 1.00 . A A . 7 ASP CA 1 1 13 1701 1 1 7 ASP CB C -0.667 -2.663 3.503 1.00 . A A . 7 ASP CB 1 1 13 1702 1 1 7 ASP CG C -1.180 -4.085 3.631 1.00 . A A . 7 ASP CG 1 1 13 1703 1 1 7 ASP H H -2.156 -3.212 1.484 1.00 . A A . 7 ASP H 1 1 13 1704 1 1 7 ASP HA H -0.435 -1.206 1.953 1.00 . A A . 7 ASP HA 1 1 13 1705 1 1 7 ASP HB2 H 0.225 -2.569 4.103 1.00 . A A . 7 ASP HB2 1 1 13 1706 1 1 7 ASP HB3 H -1.423 -1.992 3.884 1.00 . A A . 7 ASP HB3 1 1 13 1707 1 1 7 ASP N N -1.298 -2.892 1.133 1.00 . A A . 7 ASP N 1 1 13 1708 1 1 7 ASP O O 1.910 -1.822 1.355 1.00 . A A . 7 ASP O 1 1 13 1709 1 1 7 ASP OD1 O -0.869 -4.910 2.747 1.00 . A A . 7 ASP OD1 1 1 13 1710 1 1 7 ASP OD2 O -1.892 -4.374 4.616 1.00 . A A . 7 ASP OD2 1 1 13 1711 1 1 8 GLY C C 3.826 -3.604 2.220 1.00 . A A . 8 GLY C 1 1 13 1712 1 1 8 GLY CA C 2.742 -4.443 1.563 1.00 . A A . 8 GLY CA 1 1 13 1713 1 1 8 GLY H H 0.712 -4.589 2.150 1.00 . A A . 8 GLY H 1 1 13 1714 1 1 8 GLY HA2 H 2.827 -5.460 1.918 1.00 . A A . 8 GLY HA2 1 1 13 1715 1 1 8 GLY HA3 H 2.891 -4.435 0.494 1.00 . A A . 8 GLY HA3 1 1 13 1716 1 1 8 GLY N N 1.403 -3.959 1.854 1.00 . A A . 8 GLY N 1 1 13 1717 1 1 8 GLY O O 4.035 -3.699 3.429 1.00 . A A . 8 GLY O 1 1 13 1718 1 1 9 PRO C C 5.061 -0.808 2.881 1.00 . A A . 9 PRO C 1 1 13 1719 1 1 9 PRO CA C 5.604 -1.913 1.981 1.00 . A A . 9 PRO CA 1 1 13 1720 1 1 9 PRO CB C 6.250 -1.315 0.730 1.00 . A A . 9 PRO CB 1 1 13 1721 1 1 9 PRO CD C 4.363 -2.582 -0.008 1.00 . A A . 9 PRO CD 1 1 13 1722 1 1 9 PRO CG C 5.182 -1.357 -0.307 1.00 . A A . 9 PRO CG 1 1 13 1723 1 1 9 PRO HA H 6.335 -2.491 2.526 1.00 . A A . 9 PRO HA 1 1 13 1724 1 1 9 PRO HB2 H 6.564 -0.301 0.934 1.00 . A A . 9 PRO HB2 1 1 13 1725 1 1 9 PRO HB3 H 7.103 -1.911 0.441 1.00 . A A . 9 PRO HB3 1 1 13 1726 1 1 9 PRO HD2 H 3.325 -2.411 -0.253 1.00 . A A . 9 PRO HD2 1 1 13 1727 1 1 9 PRO HD3 H 4.744 -3.433 -0.553 1.00 . A A . 9 PRO HD3 1 1 13 1728 1 1 9 PRO HG2 H 4.569 -0.470 -0.239 1.00 . A A . 9 PRO HG2 1 1 13 1729 1 1 9 PRO HG3 H 5.625 -1.433 -1.289 1.00 . A A . 9 PRO HG3 1 1 13 1730 1 1 9 PRO N N 4.538 -2.766 1.445 1.00 . A A . 9 PRO N 1 1 13 1731 1 1 9 PRO O O 4.544 0.200 2.400 1.00 . A A . 9 PRO O 1 1 13 1732 1 1 10 CYS C C 5.838 0.433 6.070 1.00 . A A . 10 CYS C 1 1 13 1733 1 1 10 CYS CA C 4.704 -0.025 5.158 1.00 . A A . 10 CYS CA 1 1 13 1734 1 1 10 CYS CB C 3.565 -0.616 5.993 1.00 . A A . 10 CYS CB 1 1 13 1735 1 1 10 CYS H H 5.603 -1.829 4.512 1.00 . A A . 10 CYS H 1 1 13 1736 1 1 10 CYS HA H 4.332 0.828 4.610 1.00 . A A . 10 CYS HA 1 1 13 1737 1 1 10 CYS HB2 H 3.389 -1.634 5.677 1.00 . A A . 10 CYS HB2 1 1 13 1738 1 1 10 CYS HB3 H 3.850 -0.612 7.035 1.00 . A A . 10 CYS HB3 1 1 13 1739 1 1 10 CYS N N 5.182 -1.005 4.190 1.00 . A A . 10 CYS N 1 1 13 1740 1 1 10 CYS O O 6.196 1.628 6.012 1.00 . A A . 10 CYS O 1 1 13 1741 1 1 10 CYS OXT O 6.357 -0.408 6.834 1.00 . A A . 10 CYS OXT 1 1 13 1742 1 1 10 CYS SG S 1.990 0.287 5.845 1.00 . A A . 10 CYS SG 1 1 14 1743 1 1 1 ALA C C -0.491 2.241 2.554 1.00 . A A . 1 ALA C 1 1 14 1744 1 1 1 ALA CA C -1.021 1.675 3.868 1.00 . A A . 1 ALA CA 1 1 14 1745 1 1 1 ALA CB C -0.105 0.574 4.381 1.00 . A A . 1 ALA CB 1 1 14 1746 1 1 1 ALA H1 H -2.666 0.669 4.584 1.00 . A A . 1 ALA H1 1 1 14 1747 1 1 1 ALA H2 H -2.404 0.503 2.896 1.00 . A A . 1 ALA H2 1 1 14 1748 1 1 1 ALA H3 H -3.029 1.971 3.529 1.00 . A A . 1 ALA H3 1 1 14 1749 1 1 1 ALA HA H -1.040 2.466 4.604 1.00 . A A . 1 ALA HA 1 1 14 1750 1 1 1 ALA HB1 H 0.434 0.139 3.553 1.00 . A A . 1 ALA HB1 1 1 14 1751 1 1 1 ALA HB2 H -0.696 -0.188 4.867 1.00 . A A . 1 ALA HB2 1 1 14 1752 1 1 1 ALA HB3 H 0.597 0.990 5.088 1.00 . A A . 1 ALA HB3 1 1 14 1753 1 1 1 ALA N N -2.405 1.158 3.704 1.00 . A A . 1 ALA N 1 1 14 1754 1 1 1 ALA O O -1.258 2.501 1.627 1.00 . A A . 1 ALA O 1 1 14 1755 1 1 2 CYS C C 0.863 2.458 0.027 1.00 . A A . 2 CYS C 1 1 14 1756 1 1 2 CYS CA C 1.480 2.987 1.304 1.00 . A A . 2 CYS CA 1 1 14 1757 1 1 2 CYS CB C 2.981 2.673 1.316 1.00 . A A . 2 CYS CB 1 1 14 1758 1 1 2 CYS H H 1.377 2.229 3.263 1.00 . A A . 2 CYS H 1 1 14 1759 1 1 2 CYS HA H 1.342 4.030 1.323 1.00 . A A . 2 CYS HA 1 1 14 1760 1 1 2 CYS HB2 H 3.243 2.141 0.415 1.00 . A A . 2 CYS HB2 1 1 14 1761 1 1 2 CYS HB3 H 3.506 3.603 1.338 1.00 . A A . 2 CYS HB3 1 1 14 1762 1 1 2 CYS N N 0.827 2.441 2.488 1.00 . A A . 2 CYS N 1 1 14 1763 1 1 2 CYS O O 0.735 3.162 -0.975 1.00 . A A . 2 CYS O 1 1 14 1764 1 1 2 CYS SG S 3.583 1.686 2.732 1.00 . A A . 2 CYS SG 1 1 14 1765 1 1 3 LEU C C -1.461 1.154 -1.400 1.00 . A A . 3 LEU C 1 1 14 1766 1 1 3 LEU CA C -0.124 0.515 -1.024 1.00 . A A . 3 LEU CA 1 1 14 1767 1 1 3 LEU CB C -0.322 -0.962 -0.675 1.00 . A A . 3 LEU CB 1 1 14 1768 1 1 3 LEU CD1 C -0.045 -2.270 -2.796 1.00 . A A . 3 LEU CD1 1 1 14 1769 1 1 3 LEU CD2 C 1.975 -1.388 -1.612 1.00 . A A . 3 LEU CD2 1 1 14 1770 1 1 3 LEU CG C 0.567 -1.944 -1.443 1.00 . A A . 3 LEU CG 1 1 14 1771 1 1 3 LEU H H 0.640 0.750 0.935 1.00 . A A . 3 LEU H 1 1 14 1772 1 1 3 LEU HA H 0.548 0.589 -1.865 1.00 . A A . 3 LEU HA 1 1 14 1773 1 1 3 LEU HB2 H -0.130 -1.087 0.381 1.00 . A A . 3 LEU HB2 1 1 14 1774 1 1 3 LEU HB3 H -1.352 -1.222 -0.867 1.00 . A A . 3 LEU HB3 1 1 14 1775 1 1 3 LEU HD11 H 0.404 -1.646 -3.555 1.00 . A A . 3 LEU HD11 1 1 14 1776 1 1 3 LEU HD12 H -1.109 -2.087 -2.764 1.00 . A A . 3 LEU HD12 1 1 14 1777 1 1 3 LEU HD13 H 0.134 -3.309 -3.032 1.00 . A A . 3 LEU HD13 1 1 14 1778 1 1 3 LEU HD21 H 2.156 -0.631 -0.863 1.00 . A A . 3 LEU HD21 1 1 14 1779 1 1 3 LEU HD22 H 2.073 -0.952 -2.596 1.00 . A A . 3 LEU HD22 1 1 14 1780 1 1 3 LEU HD23 H 2.693 -2.186 -1.499 1.00 . A A . 3 LEU HD23 1 1 14 1781 1 1 3 LEU HG H 0.637 -2.861 -0.879 1.00 . A A . 3 LEU HG 1 1 14 1782 1 1 3 LEU N N 0.491 1.213 0.096 1.00 . A A . 3 LEU N 1 1 14 1783 1 1 3 LEU O O -2.335 1.328 -0.550 1.00 . A A . 3 LEU O 1 1 14 1784 1 1 4 PRO C C -4.124 1.356 -2.781 1.00 . A A . 4 PRO C 1 1 14 1785 1 1 4 PRO CA C -2.875 2.141 -3.168 1.00 . A A . 4 PRO CA 1 1 14 1786 1 1 4 PRO CB C -2.701 2.136 -4.687 1.00 . A A . 4 PRO CB 1 1 14 1787 1 1 4 PRO CD C -0.647 1.348 -3.766 1.00 . A A . 4 PRO CD 1 1 14 1788 1 1 4 PRO CG C -1.228 2.150 -4.897 1.00 . A A . 4 PRO CG 1 1 14 1789 1 1 4 PRO HA H -2.967 3.158 -2.817 1.00 . A A . 4 PRO HA 1 1 14 1790 1 1 4 PRO HB2 H -3.151 1.244 -5.100 1.00 . A A . 4 PRO HB2 1 1 14 1791 1 1 4 PRO HB3 H -3.169 3.011 -5.110 1.00 . A A . 4 PRO HB3 1 1 14 1792 1 1 4 PRO HD2 H -0.556 0.310 -4.048 1.00 . A A . 4 PRO HD2 1 1 14 1793 1 1 4 PRO HD3 H 0.312 1.748 -3.474 1.00 . A A . 4 PRO HD3 1 1 14 1794 1 1 4 PRO HG2 H -0.987 1.692 -5.845 1.00 . A A . 4 PRO HG2 1 1 14 1795 1 1 4 PRO HG3 H -0.861 3.165 -4.863 1.00 . A A . 4 PRO HG3 1 1 14 1796 1 1 4 PRO N N -1.638 1.516 -2.684 1.00 . A A . 4 PRO N 1 1 14 1797 1 1 4 PRO O O -5.191 1.935 -2.574 1.00 . A A . 4 PRO O 1 1 14 1798 1 1 5 TRP C C -4.672 -2.003 -1.494 1.00 . A A . 5 TRP C 1 1 14 1799 1 1 5 TRP CA C -5.120 -0.821 -2.350 1.00 . A A . 5 TRP CA 1 1 14 1800 1 1 5 TRP CB C -5.817 -1.325 -3.622 1.00 . A A . 5 TRP CB 1 1 14 1801 1 1 5 TRP CD1 C -5.012 -0.246 -5.805 1.00 . A A . 5 TRP CD1 1 1 14 1802 1 1 5 TRP CD2 C -3.937 -2.132 -5.262 1.00 . A A . 5 TRP CD2 1 1 14 1803 1 1 5 TRP CE2 C -3.402 -1.643 -6.469 1.00 . A A . 5 TRP CE2 1 1 14 1804 1 1 5 TRP CE3 C -3.416 -3.310 -4.724 1.00 . A A . 5 TRP CE3 1 1 14 1805 1 1 5 TRP CG C -4.965 -1.224 -4.854 1.00 . A A . 5 TRP CG 1 1 14 1806 1 1 5 TRP CH2 C -1.883 -3.446 -6.595 1.00 . A A . 5 TRP CH2 1 1 14 1807 1 1 5 TRP CZ2 C -2.373 -2.294 -7.145 1.00 . A A . 5 TRP CZ2 1 1 14 1808 1 1 5 TRP CZ3 C -2.395 -3.956 -5.396 1.00 . A A . 5 TRP CZ3 1 1 14 1809 1 1 5 TRP H H -3.119 -0.370 -2.883 1.00 . A A . 5 TRP H 1 1 14 1810 1 1 5 TRP HA H -5.821 -0.228 -1.781 1.00 . A A . 5 TRP HA 1 1 14 1811 1 1 5 TRP HB2 H -6.087 -2.362 -3.491 1.00 . A A . 5 TRP HB2 1 1 14 1812 1 1 5 TRP HB3 H -6.712 -0.744 -3.787 1.00 . A A . 5 TRP HB3 1 1 14 1813 1 1 5 TRP HD1 H -5.691 0.594 -5.782 1.00 . A A . 5 TRP HD1 1 1 14 1814 1 1 5 TRP HE1 H -3.912 0.068 -7.567 1.00 . A A . 5 TRP HE1 1 1 14 1815 1 1 5 TRP HE3 H -3.798 -3.716 -3.801 1.00 . A A . 5 TRP HE3 1 1 14 1816 1 1 5 TRP HH2 H -1.085 -3.984 -7.086 1.00 . A A . 5 TRP HH2 1 1 14 1817 1 1 5 TRP HZ2 H -1.967 -1.913 -8.071 1.00 . A A . 5 TRP HZ2 1 1 14 1818 1 1 5 TRP HZ3 H -1.981 -4.869 -4.994 1.00 . A A . 5 TRP HZ3 1 1 14 1819 1 1 5 TRP N N -3.992 0.037 -2.698 1.00 . A A . 5 TRP N 1 1 14 1820 1 1 5 TRP NE1 N -4.074 -0.490 -6.779 1.00 . A A . 5 TRP NE1 1 1 14 1821 1 1 5 TRP O O -5.232 -3.095 -1.584 1.00 . A A . 5 TRP O 1 1 14 1822 1 1 6 SER C C -2.288 -2.200 1.318 1.00 . A A . 6 SER C 1 1 14 1823 1 1 6 SER CA C -3.139 -2.817 0.208 1.00 . A A . 6 SER CA 1 1 14 1824 1 1 6 SER CB C -2.324 -3.824 -0.612 1.00 . A A . 6 SER CB 1 1 14 1825 1 1 6 SER H H -3.252 -0.890 -0.632 1.00 . A A . 6 SER H 1 1 14 1826 1 1 6 SER HA H -3.977 -3.327 0.657 1.00 . A A . 6 SER HA 1 1 14 1827 1 1 6 SER HB2 H -1.374 -3.385 -0.876 1.00 . A A . 6 SER HB2 1 1 14 1828 1 1 6 SER HB3 H -2.158 -4.714 -0.022 1.00 . A A . 6 SER HB3 1 1 14 1829 1 1 6 SER HG H -2.766 -5.082 -2.046 1.00 . A A . 6 SER HG 1 1 14 1830 1 1 6 SER N N -3.660 -1.777 -0.663 1.00 . A A . 6 SER N 1 1 14 1831 1 1 6 SER O O -2.591 -1.113 1.809 1.00 . A A . 6 SER O 1 1 14 1832 1 1 6 SER OG O -3.005 -4.186 -1.800 1.00 . A A . 6 SER OG 1 1 14 1833 1 1 7 ASP C C 1.082 -2.246 2.235 1.00 . A A . 7 ASP C 1 1 14 1834 1 1 7 ASP CA C -0.340 -2.413 2.760 1.00 . A A . 7 ASP CA 1 1 14 1835 1 1 7 ASP CB C -0.350 -3.379 3.947 1.00 . A A . 7 ASP CB 1 1 14 1836 1 1 7 ASP CG C 0.497 -2.886 5.105 1.00 . A A . 7 ASP CG 1 1 14 1837 1 1 7 ASP H H -1.041 -3.750 1.282 1.00 . A A . 7 ASP H 1 1 14 1838 1 1 7 ASP HA H -0.705 -1.451 3.088 1.00 . A A . 7 ASP HA 1 1 14 1839 1 1 7 ASP HB2 H -1.364 -3.501 4.295 1.00 . A A . 7 ASP HB2 1 1 14 1840 1 1 7 ASP HB3 H 0.034 -4.336 3.626 1.00 . A A . 7 ASP HB3 1 1 14 1841 1 1 7 ASP N N -1.229 -2.894 1.710 1.00 . A A . 7 ASP N 1 1 14 1842 1 1 7 ASP O O 1.578 -1.128 2.101 1.00 . A A . 7 ASP O 1 1 14 1843 1 1 7 ASP OD1 O 1.119 -1.811 4.972 1.00 . A A . 7 ASP OD1 1 1 14 1844 1 1 7 ASP OD2 O 0.537 -3.575 6.146 1.00 . A A . 7 ASP OD2 1 1 14 1845 1 1 8 GLY C C 4.088 -2.856 2.481 1.00 . A A . 8 GLY C 1 1 14 1846 1 1 8 GLY CA C 3.093 -3.322 1.434 1.00 . A A . 8 GLY CA 1 1 14 1847 1 1 8 GLY H H 1.288 -4.230 2.068 1.00 . A A . 8 GLY H 1 1 14 1848 1 1 8 GLY HA2 H 3.374 -4.311 1.102 1.00 . A A . 8 GLY HA2 1 1 14 1849 1 1 8 GLY HA3 H 3.130 -2.647 0.592 1.00 . A A . 8 GLY HA3 1 1 14 1850 1 1 8 GLY N N 1.734 -3.367 1.941 1.00 . A A . 8 GLY N 1 1 14 1851 1 1 8 GLY O O 3.726 -2.119 3.398 1.00 . A A . 8 GLY O 1 1 14 1852 1 1 9 PRO C C 6.778 -1.408 3.204 1.00 . A A . 9 PRO C 1 1 14 1853 1 1 9 PRO CA C 6.405 -2.882 3.323 1.00 . A A . 9 PRO CA 1 1 14 1854 1 1 9 PRO CB C 7.591 -3.767 2.933 1.00 . A A . 9 PRO CB 1 1 14 1855 1 1 9 PRO CD C 5.882 -4.152 1.307 1.00 . A A . 9 PRO CD 1 1 14 1856 1 1 9 PRO CG C 7.373 -4.079 1.493 1.00 . A A . 9 PRO CG 1 1 14 1857 1 1 9 PRO HA H 6.111 -3.096 4.340 1.00 . A A . 9 PRO HA 1 1 14 1858 1 1 9 PRO HB2 H 8.513 -3.226 3.086 1.00 . A A . 9 PRO HB2 1 1 14 1859 1 1 9 PRO HB3 H 7.588 -4.664 3.535 1.00 . A A . 9 PRO HB3 1 1 14 1860 1 1 9 PRO HD2 H 5.606 -3.782 0.330 1.00 . A A . 9 PRO HD2 1 1 14 1861 1 1 9 PRO HD3 H 5.534 -5.165 1.441 1.00 . A A . 9 PRO HD3 1 1 14 1862 1 1 9 PRO HG2 H 7.790 -3.294 0.880 1.00 . A A . 9 PRO HG2 1 1 14 1863 1 1 9 PRO HG3 H 7.827 -5.028 1.250 1.00 . A A . 9 PRO HG3 1 1 14 1864 1 1 9 PRO N N 5.361 -3.271 2.370 1.00 . A A . 9 PRO N 1 1 14 1865 1 1 9 PRO O O 6.800 -0.850 2.106 1.00 . A A . 9 PRO O 1 1 14 1866 1 1 10 CYS C C 8.222 0.965 5.628 1.00 . A A . 10 CYS C 1 1 14 1867 1 1 10 CYS CA C 7.441 0.627 4.361 1.00 . A A . 10 CYS CA 1 1 14 1868 1 1 10 CYS CB C 6.193 1.506 4.269 1.00 . A A . 10 CYS CB 1 1 14 1869 1 1 10 CYS H H 7.035 -1.281 5.182 1.00 . A A . 10 CYS H 1 1 14 1870 1 1 10 CYS HA H 8.069 0.818 3.504 1.00 . A A . 10 CYS HA 1 1 14 1871 1 1 10 CYS HB2 H 5.391 1.039 4.820 1.00 . A A . 10 CYS HB2 1 1 14 1872 1 1 10 CYS HB3 H 6.408 2.471 4.705 1.00 . A A . 10 CYS HB3 1 1 14 1873 1 1 10 CYS N N 7.070 -0.783 4.339 1.00 . A A . 10 CYS N 1 1 14 1874 1 1 10 CYS O O 7.581 1.318 6.640 1.00 . A A . 10 CYS O 1 1 14 1875 1 1 10 CYS OXT O 9.467 0.872 5.596 1.00 . A A . 10 CYS OXT 1 1 14 1876 1 1 10 CYS SG S 5.604 1.785 2.567 1.00 . A A . 10 CYS SG 1 1 15 1877 1 1 1 ALA C C 1.640 4.732 1.672 1.00 . A A . 1 ALA C 1 1 15 1878 1 1 1 ALA CA C 1.237 6.032 2.360 1.00 . A A . 1 ALA CA 1 1 15 1879 1 1 1 ALA CB C 2.291 7.103 2.125 1.00 . A A . 1 ALA CB 1 1 15 1880 1 1 1 ALA H1 H 0.125 5.330 3.942 1.00 . A A . 1 ALA H1 1 1 15 1881 1 1 1 ALA H2 H 1.015 6.760 4.271 1.00 . A A . 1 ALA H2 1 1 15 1882 1 1 1 ALA H3 H 1.822 5.248 4.170 1.00 . A A . 1 ALA H3 1 1 15 1883 1 1 1 ALA HA H 0.307 6.378 1.932 1.00 . A A . 1 ALA HA 1 1 15 1884 1 1 1 ALA HB1 H 1.825 8.077 2.145 1.00 . A A . 1 ALA HB1 1 1 15 1885 1 1 1 ALA HB2 H 2.755 6.946 1.162 1.00 . A A . 1 ALA HB2 1 1 15 1886 1 1 1 ALA HB3 H 3.041 7.046 2.900 1.00 . A A . 1 ALA HB3 1 1 15 1887 1 1 1 ALA N N 1.031 5.824 3.817 1.00 . A A . 1 ALA N 1 1 15 1888 1 1 1 ALA O O 2.473 4.730 0.766 1.00 . A A . 1 ALA O 1 1 15 1889 1 1 2 CYS C C 0.484 2.068 0.299 1.00 . A A . 2 CYS C 1 1 15 1890 1 1 2 CYS CA C 1.330 2.325 1.545 1.00 . A A . 2 CYS CA 1 1 15 1891 1 1 2 CYS CB C 1.068 1.256 2.602 1.00 . A A . 2 CYS CB 1 1 15 1892 1 1 2 CYS H H 0.386 3.688 2.832 1.00 . A A . 2 CYS H 1 1 15 1893 1 1 2 CYS HA H 2.374 2.301 1.271 1.00 . A A . 2 CYS HA 1 1 15 1894 1 1 2 CYS HB2 H 0.747 1.740 3.513 1.00 . A A . 2 CYS HB2 1 1 15 1895 1 1 2 CYS HB3 H 0.285 0.609 2.257 1.00 . A A . 2 CYS HB3 1 1 15 1896 1 1 2 CYS N N 1.042 3.628 2.109 1.00 . A A . 2 CYS N 1 1 15 1897 1 1 2 CYS O O -0.078 2.998 -0.281 1.00 . A A . 2 CYS O 1 1 15 1898 1 1 2 CYS SG S 2.519 0.233 3.009 1.00 . A A . 2 CYS SG 1 1 15 1899 1 1 3 LEU C C -1.832 0.899 -1.153 1.00 . A A . 3 LEU C 1 1 15 1900 1 1 3 LEU CA C -0.381 0.434 -1.287 1.00 . A A . 3 LEU CA 1 1 15 1901 1 1 3 LEU CB C -0.333 -1.081 -1.500 1.00 . A A . 3 LEU CB 1 1 15 1902 1 1 3 LEU CD1 C 0.843 -3.087 -2.439 1.00 . A A . 3 LEU CD1 1 1 15 1903 1 1 3 LEU CD2 C 0.572 -1.031 -3.837 1.00 . A A . 3 LEU CD2 1 1 15 1904 1 1 3 LEU CG C 0.781 -1.567 -2.428 1.00 . A A . 3 LEU CG 1 1 15 1905 1 1 3 LEU H H 0.867 0.106 0.394 1.00 . A A . 3 LEU H 1 1 15 1906 1 1 3 LEU HA H 0.064 0.922 -2.140 1.00 . A A . 3 LEU HA 1 1 15 1907 1 1 3 LEU HB2 H -0.205 -1.555 -0.538 1.00 . A A . 3 LEU HB2 1 1 15 1908 1 1 3 LEU HB3 H -1.279 -1.396 -1.915 1.00 . A A . 3 LEU HB3 1 1 15 1909 1 1 3 LEU HD11 H 0.901 -3.452 -1.424 1.00 . A A . 3 LEU HD11 1 1 15 1910 1 1 3 LEU HD12 H 1.717 -3.408 -2.987 1.00 . A A . 3 LEU HD12 1 1 15 1911 1 1 3 LEU HD13 H -0.044 -3.480 -2.913 1.00 . A A . 3 LEU HD13 1 1 15 1912 1 1 3 LEU HD21 H 1.150 -1.619 -4.535 1.00 . A A . 3 LEU HD21 1 1 15 1913 1 1 3 LEU HD22 H 0.894 -0.001 -3.881 1.00 . A A . 3 LEU HD22 1 1 15 1914 1 1 3 LEU HD23 H -0.475 -1.093 -4.094 1.00 . A A . 3 LEU HD23 1 1 15 1915 1 1 3 LEU HG H 1.730 -1.197 -2.066 1.00 . A A . 3 LEU HG 1 1 15 1916 1 1 3 LEU N N 0.396 0.805 -0.108 1.00 . A A . 3 LEU N 1 1 15 1917 1 1 3 LEU O O -2.414 0.834 -0.070 1.00 . A A . 3 LEU O 1 1 15 1918 1 1 4 PRO C C -4.803 0.806 -1.733 1.00 . A A . 4 PRO C 1 1 15 1919 1 1 4 PRO CA C -3.826 1.854 -2.252 1.00 . A A . 4 PRO CA 1 1 15 1920 1 1 4 PRO CB C -4.109 2.151 -3.727 1.00 . A A . 4 PRO CB 1 1 15 1921 1 1 4 PRO CD C -1.822 1.489 -3.592 1.00 . A A . 4 PRO CD 1 1 15 1922 1 1 4 PRO CG C -2.770 2.389 -4.332 1.00 . A A . 4 PRO CG 1 1 15 1923 1 1 4 PRO HA H -3.930 2.760 -1.673 1.00 . A A . 4 PRO HA 1 1 15 1924 1 1 4 PRO HB2 H -4.602 1.302 -4.179 1.00 . A A . 4 PRO HB2 1 1 15 1925 1 1 4 PRO HB3 H -4.738 3.024 -3.807 1.00 . A A . 4 PRO HB3 1 1 15 1926 1 1 4 PRO HD2 H -1.765 0.524 -4.075 1.00 . A A . 4 PRO HD2 1 1 15 1927 1 1 4 PRO HD3 H -0.845 1.941 -3.530 1.00 . A A . 4 PRO HD3 1 1 15 1928 1 1 4 PRO HG2 H -2.790 2.134 -5.381 1.00 . A A . 4 PRO HG2 1 1 15 1929 1 1 4 PRO HG3 H -2.485 3.422 -4.201 1.00 . A A . 4 PRO HG3 1 1 15 1930 1 1 4 PRO N N -2.438 1.376 -2.257 1.00 . A A . 4 PRO N 1 1 15 1931 1 1 4 PRO O O -5.643 1.092 -0.880 1.00 . A A . 4 PRO O 1 1 15 1932 1 1 5 TRP C C -4.792 -2.608 -1.161 1.00 . A A . 5 TRP C 1 1 15 1933 1 1 5 TRP CA C -5.572 -1.500 -1.863 1.00 . A A . 5 TRP CA 1 1 15 1934 1 1 5 TRP CB C -6.306 -2.068 -3.084 1.00 . A A . 5 TRP CB 1 1 15 1935 1 1 5 TRP CD1 C -6.076 -0.837 -5.322 1.00 . A A . 5 TRP CD1 1 1 15 1936 1 1 5 TRP CD2 C -4.441 -2.310 -4.913 1.00 . A A . 5 TRP CD2 1 1 15 1937 1 1 5 TRP CE2 C -4.201 -1.709 -6.163 1.00 . A A . 5 TRP CE2 1 1 15 1938 1 1 5 TRP CE3 C -3.541 -3.270 -4.444 1.00 . A A . 5 TRP CE3 1 1 15 1939 1 1 5 TRP CG C -5.647 -1.740 -4.392 1.00 . A A . 5 TRP CG 1 1 15 1940 1 1 5 TRP CH2 C -2.235 -2.980 -6.464 1.00 . A A . 5 TRP CH2 1 1 15 1941 1 1 5 TRP CZ2 C -3.099 -2.038 -6.949 1.00 . A A . 5 TRP CZ2 1 1 15 1942 1 1 5 TRP CZ3 C -2.447 -3.595 -5.224 1.00 . A A . 5 TRP CZ3 1 1 15 1943 1 1 5 TRP H H -4.006 -0.570 -2.943 1.00 . A A . 5 TRP H 1 1 15 1944 1 1 5 TRP HA H -6.301 -1.100 -1.173 1.00 . A A . 5 TRP HA 1 1 15 1945 1 1 5 TRP HB2 H -6.354 -3.144 -2.998 1.00 . A A . 5 TRP HB2 1 1 15 1946 1 1 5 TRP HB3 H -7.310 -1.670 -3.107 1.00 . A A . 5 TRP HB3 1 1 15 1947 1 1 5 TRP HD1 H -6.966 -0.236 -5.219 1.00 . A A . 5 TRP HD1 1 1 15 1948 1 1 5 TRP HE1 H -5.307 -0.248 -7.185 1.00 . A A . 5 TRP HE1 1 1 15 1949 1 1 5 TRP HE3 H -3.688 -3.752 -3.490 1.00 . A A . 5 TRP HE3 1 1 15 1950 1 1 5 TRP HH2 H -1.367 -3.266 -7.041 1.00 . A A . 5 TRP HH2 1 1 15 1951 1 1 5 TRP HZ2 H -2.921 -1.573 -7.907 1.00 . A A . 5 TRP HZ2 1 1 15 1952 1 1 5 TRP HZ3 H -1.741 -4.335 -4.878 1.00 . A A . 5 TRP HZ3 1 1 15 1953 1 1 5 TRP N N -4.692 -0.406 -2.262 1.00 . A A . 5 TRP N 1 1 15 1954 1 1 5 TRP NE1 N -5.213 -0.814 -6.391 1.00 . A A . 5 TRP NE1 1 1 15 1955 1 1 5 TRP O O -5.207 -3.767 -1.164 1.00 . A A . 5 TRP O 1 1 15 1956 1 1 6 SER C C -1.863 -2.490 1.077 1.00 . A A . 6 SER C 1 1 15 1957 1 1 6 SER CA C -2.833 -3.211 0.141 1.00 . A A . 6 SER CA 1 1 15 1958 1 1 6 SER CB C -2.077 -4.079 -0.871 1.00 . A A . 6 SER CB 1 1 15 1959 1 1 6 SER H H -3.377 -1.313 -0.589 1.00 . A A . 6 SER H 1 1 15 1960 1 1 6 SER HA H -3.479 -3.841 0.731 1.00 . A A . 6 SER HA 1 1 15 1961 1 1 6 SER HB2 H -2.786 -4.562 -1.528 1.00 . A A . 6 SER HB2 1 1 15 1962 1 1 6 SER HB3 H -1.414 -3.456 -1.453 1.00 . A A . 6 SER HB3 1 1 15 1963 1 1 6 SER HG H -0.555 -5.307 -0.762 1.00 . A A . 6 SER HG 1 1 15 1964 1 1 6 SER N N -3.662 -2.248 -0.560 1.00 . A A . 6 SER N 1 1 15 1965 1 1 6 SER O O -2.202 -1.459 1.659 1.00 . A A . 6 SER O 1 1 15 1966 1 1 6 SER OG O -1.311 -5.076 -0.218 1.00 . A A . 6 SER OG 1 1 15 1967 1 1 7 ASP C C 1.748 -2.650 1.502 1.00 . A A . 7 ASP C 1 1 15 1968 1 1 7 ASP CA C 0.352 -2.438 2.081 1.00 . A A . 7 ASP CA 1 1 15 1969 1 1 7 ASP CB C 0.267 -3.035 3.489 1.00 . A A . 7 ASP CB 1 1 15 1970 1 1 7 ASP CG C -0.353 -2.076 4.486 1.00 . A A . 7 ASP CG 1 1 15 1971 1 1 7 ASP H H -0.452 -3.848 0.729 1.00 . A A . 7 ASP H 1 1 15 1972 1 1 7 ASP HA H 0.157 -1.377 2.138 1.00 . A A . 7 ASP HA 1 1 15 1973 1 1 7 ASP HB2 H -0.336 -3.930 3.457 1.00 . A A . 7 ASP HB2 1 1 15 1974 1 1 7 ASP HB3 H 1.261 -3.286 3.829 1.00 . A A . 7 ASP HB3 1 1 15 1975 1 1 7 ASP N N -0.662 -3.032 1.218 1.00 . A A . 7 ASP N 1 1 15 1976 1 1 7 ASP O O 2.317 -1.750 0.883 1.00 . A A . 7 ASP O 1 1 15 1977 1 1 7 ASP OD1 O -1.393 -1.468 4.158 1.00 . A A . 7 ASP OD1 1 1 15 1978 1 1 7 ASP OD2 O 0.202 -1.933 5.596 1.00 . A A . 7 ASP OD2 1 1 15 1979 1 1 8 GLY C C 4.724 -3.642 2.102 1.00 . A A . 8 GLY C 1 1 15 1980 1 1 8 GLY CA C 3.618 -4.152 1.194 1.00 . A A . 8 GLY CA 1 1 15 1981 1 1 8 GLY H H 1.795 -4.524 2.204 1.00 . A A . 8 GLY H 1 1 15 1982 1 1 8 GLY HA2 H 3.713 -5.224 1.097 1.00 . A A . 8 GLY HA2 1 1 15 1983 1 1 8 GLY HA3 H 3.728 -3.703 0.220 1.00 . A A . 8 GLY HA3 1 1 15 1984 1 1 8 GLY N N 2.295 -3.845 1.705 1.00 . A A . 8 GLY N 1 1 15 1985 1 1 8 GLY O O 4.869 -4.117 3.228 1.00 . A A . 8 GLY O 1 1 15 1986 1 1 9 PRO C C 6.117 -1.267 3.608 1.00 . A A . 9 PRO C 1 1 15 1987 1 1 9 PRO CA C 6.624 -2.107 2.439 1.00 . A A . 9 PRO CA 1 1 15 1988 1 1 9 PRO CB C 7.384 -1.234 1.439 1.00 . A A . 9 PRO CB 1 1 15 1989 1 1 9 PRO CD C 5.436 -2.034 0.311 1.00 . A A . 9 PRO CD 1 1 15 1990 1 1 9 PRO CG C 6.370 -0.861 0.415 1.00 . A A . 9 PRO CG 1 1 15 1991 1 1 9 PRO HA H 7.276 -2.883 2.813 1.00 . A A . 9 PRO HA 1 1 15 1992 1 1 9 PRO HB2 H 7.777 -0.362 1.944 1.00 . A A . 9 PRO HB2 1 1 15 1993 1 1 9 PRO HB3 H 8.194 -1.800 1.004 1.00 . A A . 9 PRO HB3 1 1 15 1994 1 1 9 PRO HD2 H 4.428 -1.698 0.114 1.00 . A A . 9 PRO HD2 1 1 15 1995 1 1 9 PRO HD3 H 5.766 -2.713 -0.462 1.00 . A A . 9 PRO HD3 1 1 15 1996 1 1 9 PRO HG2 H 5.833 0.020 0.734 1.00 . A A . 9 PRO HG2 1 1 15 1997 1 1 9 PRO HG3 H 6.855 -0.683 -0.534 1.00 . A A . 9 PRO HG3 1 1 15 1998 1 1 9 PRO N N 5.529 -2.667 1.641 1.00 . A A . 9 PRO N 1 1 15 1999 1 1 9 PRO O O 6.357 -0.061 3.670 1.00 . A A . 9 PRO O 1 1 15 2000 1 1 10 CYS C C 5.257 -1.954 6.985 1.00 . A A . 10 CYS C 1 1 15 2001 1 1 10 CYS CA C 4.872 -1.228 5.700 1.00 . A A . 10 CYS CA 1 1 15 2002 1 1 10 CYS CB C 3.349 -1.123 5.594 1.00 . A A . 10 CYS CB 1 1 15 2003 1 1 10 CYS H H 5.256 -2.875 4.427 1.00 . A A . 10 CYS H 1 1 15 2004 1 1 10 CYS HA H 5.292 -0.233 5.723 1.00 . A A . 10 CYS HA 1 1 15 2005 1 1 10 CYS HB2 H 2.991 -1.871 4.903 1.00 . A A . 10 CYS HB2 1 1 15 2006 1 1 10 CYS HB3 H 2.914 -1.301 6.566 1.00 . A A . 10 CYS HB3 1 1 15 2007 1 1 10 CYS N N 5.414 -1.914 4.532 1.00 . A A . 10 CYS N 1 1 15 2008 1 1 10 CYS O O 5.309 -3.202 6.965 1.00 . A A . 10 CYS O 1 1 15 2009 1 1 10 CYS OXT O 5.505 -1.269 7.999 1.00 . A A . 10 CYS OXT 1 1 15 2010 1 1 10 CYS SG S 2.754 0.497 5.008 1.00 . A A . 10 CYS SG 1 1 16 2011 1 1 1 ALA C C 2.549 4.746 1.399 1.00 . A A . 1 ALA C 1 1 16 2012 1 1 1 ALA CA C 3.170 6.018 1.967 1.00 . A A . 1 ALA CA 1 1 16 2013 1 1 1 ALA CB C 2.128 7.124 2.047 1.00 . A A . 1 ALA CB 1 1 16 2014 1 1 1 ALA H1 H 3.976 6.666 0.189 1.00 . A A . 1 ALA H1 1 1 16 2015 1 1 1 ALA H2 H 5.020 5.683 1.132 1.00 . A A . 1 ALA H2 1 1 16 2016 1 1 1 ALA H3 H 4.725 7.310 1.590 1.00 . A A . 1 ALA H3 1 1 16 2017 1 1 1 ALA HA H 3.522 5.816 2.968 1.00 . A A . 1 ALA HA 1 1 16 2018 1 1 1 ALA HB1 H 2.308 7.724 2.927 1.00 . A A . 1 ALA HB1 1 1 16 2019 1 1 1 ALA HB2 H 1.142 6.687 2.105 1.00 . A A . 1 ALA HB2 1 1 16 2020 1 1 1 ALA HB3 H 2.196 7.747 1.167 1.00 . A A . 1 ALA HB3 1 1 16 2021 1 1 1 ALA N N 4.327 6.459 1.146 1.00 . A A . 1 ALA N 1 1 16 2022 1 1 1 ALA O O 1.465 4.781 0.816 1.00 . A A . 1 ALA O 1 1 16 2023 1 1 2 CYS C C 1.289 2.182 1.164 1.00 . A A . 2 CYS C 1 1 16 2024 1 1 2 CYS CA C 2.806 2.330 1.070 1.00 . A A . 2 CYS CA 1 1 16 2025 1 1 2 CYS CB C 3.471 1.185 1.849 1.00 . A A . 2 CYS CB 1 1 16 2026 1 1 2 CYS H H 4.115 3.672 2.020 1.00 . A A . 2 CYS H 1 1 16 2027 1 1 2 CYS HA H 3.096 2.256 0.032 1.00 . A A . 2 CYS HA 1 1 16 2028 1 1 2 CYS HB2 H 2.709 0.554 2.277 1.00 . A A . 2 CYS HB2 1 1 16 2029 1 1 2 CYS HB3 H 4.051 0.611 1.153 1.00 . A A . 2 CYS HB3 1 1 16 2030 1 1 2 CYS N N 3.256 3.626 1.564 1.00 . A A . 2 CYS N 1 1 16 2031 1 1 2 CYS O O 0.646 2.780 2.026 1.00 . A A . 2 CYS O 1 1 16 2032 1 1 2 CYS SG S 4.598 1.675 3.202 1.00 . A A . 2 CYS SG 1 1 16 2033 1 1 3 LEU C C -1.003 -0.259 0.839 1.00 . A A . 3 LEU C 1 1 16 2034 1 1 3 LEU CA C -0.705 1.121 0.259 1.00 . A A . 3 LEU CA 1 1 16 2035 1 1 3 LEU CB C -1.256 1.221 -1.170 1.00 . A A . 3 LEU CB 1 1 16 2036 1 1 3 LEU CD1 C -1.878 2.906 -2.925 1.00 . A A . 3 LEU CD1 1 1 16 2037 1 1 3 LEU CD2 C -0.295 3.557 -1.109 1.00 . A A . 3 LEU CD2 1 1 16 2038 1 1 3 LEU CG C -0.772 2.421 -2.001 1.00 . A A . 3 LEU CG 1 1 16 2039 1 1 3 LEU H H 1.297 0.912 -0.376 1.00 . A A . 3 LEU H 1 1 16 2040 1 1 3 LEU HA H -1.178 1.872 0.873 1.00 . A A . 3 LEU HA 1 1 16 2041 1 1 3 LEU HB2 H -0.986 0.318 -1.697 1.00 . A A . 3 LEU HB2 1 1 16 2042 1 1 3 LEU HB3 H -2.334 1.269 -1.109 1.00 . A A . 3 LEU HB3 1 1 16 2043 1 1 3 LEU HD11 H -2.568 3.522 -2.368 1.00 . A A . 3 LEU HD11 1 1 16 2044 1 1 3 LEU HD12 H -2.403 2.056 -3.335 1.00 . A A . 3 LEU HD12 1 1 16 2045 1 1 3 LEU HD13 H -1.447 3.485 -3.729 1.00 . A A . 3 LEU HD13 1 1 16 2046 1 1 3 LEU HD21 H 0.758 3.432 -0.904 1.00 . A A . 3 LEU HD21 1 1 16 2047 1 1 3 LEU HD22 H -0.847 3.544 -0.182 1.00 . A A . 3 LEU HD22 1 1 16 2048 1 1 3 LEU HD23 H -0.454 4.499 -1.611 1.00 . A A . 3 LEU HD23 1 1 16 2049 1 1 3 LEU HG H 0.058 2.112 -2.616 1.00 . A A . 3 LEU HG 1 1 16 2050 1 1 3 LEU N N 0.729 1.367 0.277 1.00 . A A . 3 LEU N 1 1 16 2051 1 1 3 LEU O O -0.761 -1.277 0.192 1.00 . A A . 3 LEU O 1 1 16 2052 1 1 4 PRO C C -2.821 -2.446 1.953 1.00 . A A . 4 PRO C 1 1 16 2053 1 1 4 PRO CA C -1.845 -1.582 2.745 1.00 . A A . 4 PRO CA 1 1 16 2054 1 1 4 PRO CB C -2.486 -1.141 4.064 1.00 . A A . 4 PRO CB 1 1 16 2055 1 1 4 PRO CD C -1.839 0.848 2.928 1.00 . A A . 4 PRO CD 1 1 16 2056 1 1 4 PRO CG C -1.980 0.240 4.292 1.00 . A A . 4 PRO CG 1 1 16 2057 1 1 4 PRO HA H -0.952 -2.152 2.952 1.00 . A A . 4 PRO HA 1 1 16 2058 1 1 4 PRO HB2 H -3.562 -1.156 3.965 1.00 . A A . 4 PRO HB2 1 1 16 2059 1 1 4 PRO HB3 H -2.182 -1.808 4.856 1.00 . A A . 4 PRO HB3 1 1 16 2060 1 1 4 PRO HD2 H -2.766 1.312 2.623 1.00 . A A . 4 PRO HD2 1 1 16 2061 1 1 4 PRO HD3 H -1.032 1.565 2.914 1.00 . A A . 4 PRO HD3 1 1 16 2062 1 1 4 PRO HG2 H -2.691 0.800 4.882 1.00 . A A . 4 PRO HG2 1 1 16 2063 1 1 4 PRO HG3 H -1.022 0.204 4.788 1.00 . A A . 4 PRO HG3 1 1 16 2064 1 1 4 PRO N N -1.526 -0.314 2.077 1.00 . A A . 4 PRO N 1 1 16 2065 1 1 4 PRO O O -3.009 -3.622 2.265 1.00 . A A . 4 PRO O 1 1 16 2066 1 1 5 TRP C C -4.068 -2.592 -1.349 1.00 . A A . 5 TRP C 1 1 16 2067 1 1 5 TRP CA C -4.427 -2.595 0.138 1.00 . A A . 5 TRP CA 1 1 16 2068 1 1 5 TRP CB C -5.829 -2.007 0.336 1.00 . A A . 5 TRP CB 1 1 16 2069 1 1 5 TRP CD1 C -5.409 0.516 0.158 1.00 . A A . 5 TRP CD1 1 1 16 2070 1 1 5 TRP CD2 C -6.247 -0.137 2.128 1.00 . A A . 5 TRP CD2 1 1 16 2071 1 1 5 TRP CE2 C -6.065 1.259 2.158 1.00 . A A . 5 TRP CE2 1 1 16 2072 1 1 5 TRP CE3 C -6.764 -0.773 3.260 1.00 . A A . 5 TRP CE3 1 1 16 2073 1 1 5 TRP CG C -5.824 -0.592 0.837 1.00 . A A . 5 TRP CG 1 1 16 2074 1 1 5 TRP CH2 C -6.887 1.378 4.369 1.00 . A A . 5 TRP CH2 1 1 16 2075 1 1 5 TRP CZ2 C -6.382 2.028 3.276 1.00 . A A . 5 TRP CZ2 1 1 16 2076 1 1 5 TRP CZ3 C -7.077 -0.009 4.369 1.00 . A A . 5 TRP CZ3 1 1 16 2077 1 1 5 TRP H H -3.286 -0.919 0.744 1.00 . A A . 5 TRP H 1 1 16 2078 1 1 5 TRP HA H -4.432 -3.617 0.485 1.00 . A A . 5 TRP HA 1 1 16 2079 1 1 5 TRP HB2 H -6.356 -2.022 -0.607 1.00 . A A . 5 TRP HB2 1 1 16 2080 1 1 5 TRP HB3 H -6.367 -2.612 1.051 1.00 . A A . 5 TRP HB3 1 1 16 2081 1 1 5 TRP HD1 H -5.026 0.502 -0.851 1.00 . A A . 5 TRP HD1 1 1 16 2082 1 1 5 TRP HE1 H -5.326 2.549 0.678 1.00 . A A . 5 TRP HE1 1 1 16 2083 1 1 5 TRP HE3 H -6.916 -1.841 3.278 1.00 . A A . 5 TRP HE3 1 1 16 2084 1 1 5 TRP HH2 H -7.145 1.935 5.258 1.00 . A A . 5 TRP HH2 1 1 16 2085 1 1 5 TRP HZ2 H -6.241 3.098 3.292 1.00 . A A . 5 TRP HZ2 1 1 16 2086 1 1 5 TRP HZ3 H -7.477 -0.484 5.252 1.00 . A A . 5 TRP HZ3 1 1 16 2087 1 1 5 TRP N N -3.457 -1.862 0.943 1.00 . A A . 5 TRP N 1 1 16 2088 1 1 5 TRP NE1 N -5.553 1.634 0.944 1.00 . A A . 5 TRP NE1 1 1 16 2089 1 1 5 TRP O O -4.871 -3.022 -2.178 1.00 . A A . 5 TRP O 1 1 16 2090 1 1 6 SER C C -1.017 -1.663 -3.306 1.00 . A A . 6 SER C 1 1 16 2091 1 1 6 SER CA C -2.471 -2.090 -3.105 1.00 . A A . 6 SER CA 1 1 16 2092 1 1 6 SER CB C -3.391 -1.158 -3.894 1.00 . A A . 6 SER CB 1 1 16 2093 1 1 6 SER H H -2.261 -1.782 -1.010 1.00 . A A . 6 SER H 1 1 16 2094 1 1 6 SER HA H -2.584 -3.089 -3.489 1.00 . A A . 6 SER HA 1 1 16 2095 1 1 6 SER HB2 H -3.759 -0.381 -3.239 1.00 . A A . 6 SER HB2 1 1 16 2096 1 1 6 SER HB3 H -2.837 -0.711 -4.706 1.00 . A A . 6 SER HB3 1 1 16 2097 1 1 6 SER HG H -4.180 -2.578 -4.989 1.00 . A A . 6 SER HG 1 1 16 2098 1 1 6 SER N N -2.872 -2.115 -1.698 1.00 . A A . 6 SER N 1 1 16 2099 1 1 6 SER O O -0.644 -1.228 -4.396 1.00 . A A . 6 SER O 1 1 16 2100 1 1 6 SER OG O -4.497 -1.865 -4.429 1.00 . A A . 6 SER OG 1 1 16 2101 1 1 7 ASP C C 1.965 -1.644 -1.073 1.00 . A A . 7 ASP C 1 1 16 2102 1 1 7 ASP CA C 1.217 -1.426 -2.387 1.00 . A A . 7 ASP CA 1 1 16 2103 1 1 7 ASP CB C 1.356 0.026 -2.851 1.00 . A A . 7 ASP CB 1 1 16 2104 1 1 7 ASP CG C 2.289 0.165 -4.038 1.00 . A A . 7 ASP CG 1 1 16 2105 1 1 7 ASP H H -0.532 -2.158 -1.432 1.00 . A A . 7 ASP H 1 1 16 2106 1 1 7 ASP HA H 1.656 -2.064 -3.134 1.00 . A A . 7 ASP HA 1 1 16 2107 1 1 7 ASP HB2 H 0.385 0.397 -3.138 1.00 . A A . 7 ASP HB2 1 1 16 2108 1 1 7 ASP HB3 H 1.743 0.626 -2.043 1.00 . A A . 7 ASP HB3 1 1 16 2109 1 1 7 ASP N N -0.193 -1.795 -2.274 1.00 . A A . 7 ASP N 1 1 16 2110 1 1 7 ASP O O 2.328 -0.689 -0.387 1.00 . A A . 7 ASP O 1 1 16 2111 1 1 7 ASP OD1 O 2.377 -0.790 -4.839 1.00 . A A . 7 ASP OD1 1 1 16 2112 1 1 7 ASP OD2 O 2.931 1.229 -4.168 1.00 . A A . 7 ASP OD2 1 1 16 2113 1 1 8 GLY C C 2.185 -2.742 1.735 1.00 . A A . 8 GLY C 1 1 16 2114 1 1 8 GLY CA C 2.911 -3.226 0.492 1.00 . A A . 8 GLY CA 1 1 16 2115 1 1 8 GLY H H 1.894 -3.628 -1.322 1.00 . A A . 8 GLY H 1 1 16 2116 1 1 8 GLY HA2 H 3.031 -4.298 0.555 1.00 . A A . 8 GLY HA2 1 1 16 2117 1 1 8 GLY HA3 H 3.888 -2.767 0.458 1.00 . A A . 8 GLY HA3 1 1 16 2118 1 1 8 GLY N N 2.200 -2.907 -0.733 1.00 . A A . 8 GLY N 1 1 16 2119 1 1 8 GLY O O 1.493 -1.725 1.695 1.00 . A A . 8 GLY O 1 1 16 2120 1 1 9 PRO C C 2.476 -2.086 4.933 1.00 . A A . 9 PRO C 1 1 16 2121 1 1 9 PRO CA C 1.669 -3.094 4.118 1.00 . A A . 9 PRO CA 1 1 16 2122 1 1 9 PRO CB C 1.594 -4.430 4.848 1.00 . A A . 9 PRO CB 1 1 16 2123 1 1 9 PRO CD C 3.121 -4.693 3.004 1.00 . A A . 9 PRO CD 1 1 16 2124 1 1 9 PRO CG C 2.816 -5.165 4.407 1.00 . A A . 9 PRO CG 1 1 16 2125 1 1 9 PRO HA H 0.673 -2.713 3.953 1.00 . A A . 9 PRO HA 1 1 16 2126 1 1 9 PRO HB2 H 1.596 -4.262 5.915 1.00 . A A . 9 PRO HB2 1 1 16 2127 1 1 9 PRO HB3 H 0.695 -4.953 4.560 1.00 . A A . 9 PRO HB3 1 1 16 2128 1 1 9 PRO HD2 H 4.175 -4.482 2.899 1.00 . A A . 9 PRO HD2 1 1 16 2129 1 1 9 PRO HD3 H 2.812 -5.435 2.283 1.00 . A A . 9 PRO HD3 1 1 16 2130 1 1 9 PRO HG2 H 3.640 -4.932 5.065 1.00 . A A . 9 PRO HG2 1 1 16 2131 1 1 9 PRO HG3 H 2.624 -6.227 4.409 1.00 . A A . 9 PRO HG3 1 1 16 2132 1 1 9 PRO N N 2.323 -3.459 2.863 1.00 . A A . 9 PRO N 1 1 16 2133 1 1 9 PRO O O 3.377 -2.461 5.683 1.00 . A A . 9 PRO O 1 1 16 2134 1 1 10 CYS C C 2.722 0.027 7.027 1.00 . A A . 10 CYS C 1 1 16 2135 1 1 10 CYS CA C 2.828 0.252 5.521 1.00 . A A . 10 CYS CA 1 1 16 2136 1 1 10 CYS CB C 2.241 1.619 5.153 1.00 . A A . 10 CYS CB 1 1 16 2137 1 1 10 CYS H H 1.408 -0.571 4.181 1.00 . A A . 10 CYS H 1 1 16 2138 1 1 10 CYS HA H 3.869 0.227 5.240 1.00 . A A . 10 CYS HA 1 1 16 2139 1 1 10 CYS HB2 H 1.454 1.478 4.428 1.00 . A A . 10 CYS HB2 1 1 16 2140 1 1 10 CYS HB3 H 1.825 2.074 6.040 1.00 . A A . 10 CYS HB3 1 1 16 2141 1 1 10 CYS N N 2.140 -0.808 4.788 1.00 . A A . 10 CYS N 1 1 16 2142 1 1 10 CYS O O 3.653 -0.577 7.601 1.00 . A A . 10 CYS O 1 1 16 2143 1 1 10 CYS OXT O 1.710 0.457 7.619 1.00 . A A . 10 CYS OXT 1 1 16 2144 1 1 10 CYS SG S 3.438 2.796 4.438 1.00 . A A . 10 CYS SG 1 1 17 2145 1 1 1 ALA C C 3.011 2.209 2.354 1.00 . A A . 1 ALA C 1 1 17 2146 1 1 1 ALA CA C 3.863 3.283 3.023 1.00 . A A . 1 ALA CA 1 1 17 2147 1 1 1 ALA CB C 2.979 4.288 3.750 1.00 . A A . 1 ALA CB 1 1 17 2148 1 1 1 ALA H1 H 5.535 4.377 2.541 1.00 . A A . 1 ALA H1 1 1 17 2149 1 1 1 ALA H2 H 4.153 4.724 1.585 1.00 . A A . 1 ALA H2 1 1 17 2150 1 1 1 ALA H3 H 5.033 3.272 1.332 1.00 . A A . 1 ALA H3 1 1 17 2151 1 1 1 ALA HA H 4.503 2.812 3.755 1.00 . A A . 1 ALA HA 1 1 17 2152 1 1 1 ALA HB1 H 2.128 4.533 3.131 1.00 . A A . 1 ALA HB1 1 1 17 2153 1 1 1 ALA HB2 H 3.546 5.185 3.954 1.00 . A A . 1 ALA HB2 1 1 17 2154 1 1 1 ALA HB3 H 2.636 3.859 4.680 1.00 . A A . 1 ALA HB3 1 1 17 2155 1 1 1 ALA N N 4.723 3.976 2.030 1.00 . A A . 1 ALA N 1 1 17 2156 1 1 1 ALA O O 3.313 1.762 1.247 1.00 . A A . 1 ALA O 1 1 17 2157 1 1 2 CYS C C 0.238 1.311 1.358 1.00 . A A . 2 CYS C 1 1 17 2158 1 1 2 CYS CA C 1.049 0.793 2.544 1.00 . A A . 2 CYS CA 1 1 17 2159 1 1 2 CYS CB C 0.138 0.420 3.694 1.00 . A A . 2 CYS CB 1 1 17 2160 1 1 2 CYS H H 1.749 2.181 3.909 1.00 . A A . 2 CYS H 1 1 17 2161 1 1 2 CYS HA H 1.621 -0.070 2.245 1.00 . A A . 2 CYS HA 1 1 17 2162 1 1 2 CYS HB2 H -0.093 1.314 4.258 1.00 . A A . 2 CYS HB2 1 1 17 2163 1 1 2 CYS HB3 H -0.756 0.022 3.302 1.00 . A A . 2 CYS HB3 1 1 17 2164 1 1 2 CYS N N 1.947 1.798 3.035 1.00 . A A . 2 CYS N 1 1 17 2165 1 1 2 CYS O O 0.165 2.518 1.129 1.00 . A A . 2 CYS O 1 1 17 2166 1 1 2 CYS SG S 0.853 -0.791 4.854 1.00 . A A . 2 CYS SG 1 1 17 2167 1 1 3 LEU C C -2.666 0.689 -0.257 1.00 . A A . 3 LEU C 1 1 17 2168 1 1 3 LEU CA C -1.169 0.781 -0.557 1.00 . A A . 3 LEU CA 1 1 17 2169 1 1 3 LEU CB C -0.832 -0.109 -1.756 1.00 . A A . 3 LEU CB 1 1 17 2170 1 1 3 LEU CD1 C 0.569 -0.498 -3.796 1.00 . A A . 3 LEU CD1 1 1 17 2171 1 1 3 LEU CD2 C 0.751 1.672 -2.561 1.00 . A A . 3 LEU CD2 1 1 17 2172 1 1 3 LEU CG C 0.514 0.172 -2.431 1.00 . A A . 3 LEU CG 1 1 17 2173 1 1 3 LEU H H -0.269 -0.554 0.828 1.00 . A A . 3 LEU H 1 1 17 2174 1 1 3 LEU HA H -0.926 1.804 -0.800 1.00 . A A . 3 LEU HA 1 1 17 2175 1 1 3 LEU HB2 H -0.833 -1.134 -1.423 1.00 . A A . 3 LEU HB2 1 1 17 2176 1 1 3 LEU HB3 H -1.609 0.011 -2.496 1.00 . A A . 3 LEU HB3 1 1 17 2177 1 1 3 LEU HD11 H -0.421 -0.836 -4.069 1.00 . A A . 3 LEU HD11 1 1 17 2178 1 1 3 LEU HD12 H 1.240 -1.346 -3.756 1.00 . A A . 3 LEU HD12 1 1 17 2179 1 1 3 LEU HD13 H 0.925 0.209 -4.533 1.00 . A A . 3 LEU HD13 1 1 17 2180 1 1 3 LEU HD21 H 0.890 2.101 -1.580 1.00 . A A . 3 LEU HD21 1 1 17 2181 1 1 3 LEU HD22 H -0.104 2.131 -3.036 1.00 . A A . 3 LEU HD22 1 1 17 2182 1 1 3 LEU HD23 H 1.633 1.847 -3.160 1.00 . A A . 3 LEU HD23 1 1 17 2183 1 1 3 LEU HG H 1.307 -0.242 -1.824 1.00 . A A . 3 LEU HG 1 1 17 2184 1 1 3 LEU N N -0.368 0.397 0.604 1.00 . A A . 3 LEU N 1 1 17 2185 1 1 3 LEU O O -3.130 -0.291 0.326 1.00 . A A . 3 LEU O 1 1 17 2186 1 1 4 PRO C C -5.580 0.450 -0.911 1.00 . A A . 4 PRO C 1 1 17 2187 1 1 4 PRO CA C -4.901 1.734 -0.448 1.00 . A A . 4 PRO CA 1 1 17 2188 1 1 4 PRO CB C -5.364 2.904 -1.316 1.00 . A A . 4 PRO CB 1 1 17 2189 1 1 4 PRO CD C -2.983 2.918 -1.381 1.00 . A A . 4 PRO CD 1 1 17 2190 1 1 4 PRO CG C -4.190 3.814 -1.375 1.00 . A A . 4 PRO CG 1 1 17 2191 1 1 4 PRO HA H -5.148 1.926 0.586 1.00 . A A . 4 PRO HA 1 1 17 2192 1 1 4 PRO HB2 H -5.632 2.539 -2.298 1.00 . A A . 4 PRO HB2 1 1 17 2193 1 1 4 PRO HB3 H -6.215 3.384 -0.859 1.00 . A A . 4 PRO HB3 1 1 17 2194 1 1 4 PRO HD2 H -2.695 2.680 -2.395 1.00 . A A . 4 PRO HD2 1 1 17 2195 1 1 4 PRO HD3 H -2.166 3.385 -0.854 1.00 . A A . 4 PRO HD3 1 1 17 2196 1 1 4 PRO HG2 H -4.227 4.403 -2.280 1.00 . A A . 4 PRO HG2 1 1 17 2197 1 1 4 PRO HG3 H -4.177 4.456 -0.507 1.00 . A A . 4 PRO HG3 1 1 17 2198 1 1 4 PRO N N -3.448 1.710 -0.666 1.00 . A A . 4 PRO N 1 1 17 2199 1 1 4 PRO O O -6.473 -0.069 -0.240 1.00 . A A . 4 PRO O 1 1 17 2200 1 1 5 TRP C C -4.772 -2.454 -2.505 1.00 . A A . 5 TRP C 1 1 17 2201 1 1 5 TRP CA C -5.727 -1.268 -2.637 1.00 . A A . 5 TRP CA 1 1 17 2202 1 1 5 TRP CB C -6.095 -1.066 -4.116 1.00 . A A . 5 TRP CB 1 1 17 2203 1 1 5 TRP CD1 C -6.341 1.358 -4.918 1.00 . A A . 5 TRP CD1 1 1 17 2204 1 1 5 TRP CD2 C -4.281 0.517 -5.157 1.00 . A A . 5 TRP CD2 1 1 17 2205 1 1 5 TRP CE2 C -4.282 1.840 -5.635 1.00 . A A . 5 TRP CE2 1 1 17 2206 1 1 5 TRP CE3 C -3.095 -0.215 -5.206 1.00 . A A . 5 TRP CE3 1 1 17 2207 1 1 5 TRP CG C -5.608 0.227 -4.703 1.00 . A A . 5 TRP CG 1 1 17 2208 1 1 5 TRP CH2 C -1.992 1.704 -6.190 1.00 . A A . 5 TRP CH2 1 1 17 2209 1 1 5 TRP CZ2 C -3.141 2.445 -6.154 1.00 . A A . 5 TRP CZ2 1 1 17 2210 1 1 5 TRP CZ3 C -1.961 0.386 -5.720 1.00 . A A . 5 TRP CZ3 1 1 17 2211 1 1 5 TRP H H -4.445 0.419 -2.555 1.00 . A A . 5 TRP H 1 1 17 2212 1 1 5 TRP HA H -6.627 -1.491 -2.086 1.00 . A A . 5 TRP HA 1 1 17 2213 1 1 5 TRP HB2 H -5.670 -1.869 -4.698 1.00 . A A . 5 TRP HB2 1 1 17 2214 1 1 5 TRP HB3 H -7.171 -1.092 -4.215 1.00 . A A . 5 TRP HB3 1 1 17 2215 1 1 5 TRP HD1 H -7.387 1.459 -4.676 1.00 . A A . 5 TRP HD1 1 1 17 2216 1 1 5 TRP HE1 H -5.847 3.234 -5.726 1.00 . A A . 5 TRP HE1 1 1 17 2217 1 1 5 TRP HE3 H -3.053 -1.231 -4.845 1.00 . A A . 5 TRP HE3 1 1 17 2218 1 1 5 TRP HH2 H -1.082 2.133 -6.585 1.00 . A A . 5 TRP HH2 1 1 17 2219 1 1 5 TRP HZ2 H -3.148 3.462 -6.518 1.00 . A A . 5 TRP HZ2 1 1 17 2220 1 1 5 TRP HZ3 H -1.035 -0.167 -5.768 1.00 . A A . 5 TRP HZ3 1 1 17 2221 1 1 5 TRP N N -5.156 -0.048 -2.069 1.00 . A A . 5 TRP N 1 1 17 2222 1 1 5 TRP NE1 N -5.550 2.333 -5.479 1.00 . A A . 5 TRP NE1 1 1 17 2223 1 1 5 TRP O O -5.149 -3.591 -2.786 1.00 . A A . 5 TRP O 1 1 17 2224 1 1 6 SER C C -1.889 -3.158 -0.548 1.00 . A A . 6 SER C 1 1 17 2225 1 1 6 SER CA C -2.551 -3.249 -1.924 1.00 . A A . 6 SER CA 1 1 17 2226 1 1 6 SER CB C -1.504 -3.164 -3.044 1.00 . A A . 6 SER CB 1 1 17 2227 1 1 6 SER H H -3.283 -1.271 -1.871 1.00 . A A . 6 SER H 1 1 17 2228 1 1 6 SER HA H -3.066 -4.194 -1.996 1.00 . A A . 6 SER HA 1 1 17 2229 1 1 6 SER HB2 H -1.972 -2.797 -3.946 1.00 . A A . 6 SER HB2 1 1 17 2230 1 1 6 SER HB3 H -0.716 -2.489 -2.747 1.00 . A A . 6 SER HB3 1 1 17 2231 1 1 6 SER HG H -1.238 -4.752 -4.167 1.00 . A A . 6 SER HG 1 1 17 2232 1 1 6 SER N N -3.538 -2.192 -2.082 1.00 . A A . 6 SER N 1 1 17 2233 1 1 6 SER O O -2.527 -2.773 0.431 1.00 . A A . 6 SER O 1 1 17 2234 1 1 6 SER OG O -0.934 -4.435 -3.313 1.00 . A A . 6 SER OG 1 1 17 2235 1 1 7 ASP C C 1.491 -2.794 0.566 1.00 . A A . 7 ASP C 1 1 17 2236 1 1 7 ASP CA C 0.129 -3.464 0.775 1.00 . A A . 7 ASP CA 1 1 17 2237 1 1 7 ASP CB C 0.286 -4.884 1.334 1.00 . A A . 7 ASP CB 1 1 17 2238 1 1 7 ASP CG C 1.126 -5.769 0.435 1.00 . A A . 7 ASP CG 1 1 17 2239 1 1 7 ASP H H -0.157 -3.805 -1.291 1.00 . A A . 7 ASP H 1 1 17 2240 1 1 7 ASP HA H -0.446 -2.873 1.473 1.00 . A A . 7 ASP HA 1 1 17 2241 1 1 7 ASP HB2 H 0.757 -4.834 2.303 1.00 . A A . 7 ASP HB2 1 1 17 2242 1 1 7 ASP HB3 H -0.692 -5.333 1.437 1.00 . A A . 7 ASP HB3 1 1 17 2243 1 1 7 ASP N N -0.612 -3.510 -0.479 1.00 . A A . 7 ASP N 1 1 17 2244 1 1 7 ASP O O 1.588 -1.803 -0.161 1.00 . A A . 7 ASP O 1 1 17 2245 1 1 7 ASP OD1 O 0.578 -6.302 -0.553 1.00 . A A . 7 ASP OD1 1 1 17 2246 1 1 7 ASP OD2 O 2.331 -5.932 0.719 1.00 . A A . 7 ASP OD2 1 1 17 2247 1 1 8 GLY C C 4.467 -2.281 2.352 1.00 . A A . 8 GLY C 1 1 17 2248 1 1 8 GLY CA C 3.868 -2.753 1.040 1.00 . A A . 8 GLY CA 1 1 17 2249 1 1 8 GLY H H 2.420 -4.114 1.763 1.00 . A A . 8 GLY H 1 1 17 2250 1 1 8 GLY HA2 H 4.520 -3.498 0.611 1.00 . A A . 8 GLY HA2 1 1 17 2251 1 1 8 GLY HA3 H 3.806 -1.915 0.363 1.00 . A A . 8 GLY HA3 1 1 17 2252 1 1 8 GLY N N 2.542 -3.328 1.196 1.00 . A A . 8 GLY N 1 1 17 2253 1 1 8 GLY O O 3.825 -2.371 3.399 1.00 . A A . 8 GLY O 1 1 17 2254 1 1 9 PRO C C 5.656 -0.094 4.157 1.00 . A A . 9 PRO C 1 1 17 2255 1 1 9 PRO CA C 6.386 -1.275 3.531 1.00 . A A . 9 PRO CA 1 1 17 2256 1 1 9 PRO CB C 7.769 -0.844 3.028 1.00 . A A . 9 PRO CB 1 1 17 2257 1 1 9 PRO CD C 6.545 -1.618 1.123 1.00 . A A . 9 PRO CD 1 1 17 2258 1 1 9 PRO CG C 7.605 -0.645 1.560 1.00 . A A . 9 PRO CG 1 1 17 2259 1 1 9 PRO HA H 6.495 -2.059 4.268 1.00 . A A . 9 PRO HA 1 1 17 2260 1 1 9 PRO HB2 H 8.063 0.074 3.520 1.00 . A A . 9 PRO HB2 1 1 17 2261 1 1 9 PRO HB3 H 8.490 -1.619 3.243 1.00 . A A . 9 PRO HB3 1 1 17 2262 1 1 9 PRO HD2 H 5.973 -1.210 0.303 1.00 . A A . 9 PRO HD2 1 1 17 2263 1 1 9 PRO HD3 H 6.990 -2.561 0.845 1.00 . A A . 9 PRO HD3 1 1 17 2264 1 1 9 PRO HG2 H 7.289 0.369 1.359 1.00 . A A . 9 PRO HG2 1 1 17 2265 1 1 9 PRO HG3 H 8.537 -0.854 1.054 1.00 . A A . 9 PRO HG3 1 1 17 2266 1 1 9 PRO N N 5.709 -1.765 2.326 1.00 . A A . 9 PRO N 1 1 17 2267 1 1 9 PRO O O 5.902 1.060 3.804 1.00 . A A . 9 PRO O 1 1 17 2268 1 1 10 CYS C C 4.913 1.663 6.431 1.00 . A A . 10 CYS C 1 1 17 2269 1 1 10 CYS CA C 3.986 0.648 5.764 1.00 . A A . 10 CYS CA 1 1 17 2270 1 1 10 CYS CB C 3.053 0.019 6.802 1.00 . A A . 10 CYS CB 1 1 17 2271 1 1 10 CYS H H 4.602 -1.327 5.325 1.00 . A A . 10 CYS H 1 1 17 2272 1 1 10 CYS HA H 3.391 1.157 5.021 1.00 . A A . 10 CYS HA 1 1 17 2273 1 1 10 CYS HB2 H 3.203 -1.050 6.806 1.00 . A A . 10 CYS HB2 1 1 17 2274 1 1 10 CYS HB3 H 3.293 0.413 7.779 1.00 . A A . 10 CYS HB3 1 1 17 2275 1 1 10 CYS N N 4.755 -0.389 5.088 1.00 . A A . 10 CYS N 1 1 17 2276 1 1 10 CYS O O 6.140 1.428 6.435 1.00 . A A . 10 CYS O 1 1 17 2277 1 1 10 CYS OXT O 4.405 2.684 6.940 1.00 . A A . 10 CYS OXT 1 1 17 2278 1 1 10 CYS SG S 1.280 0.324 6.499 1.00 . A A . 10 CYS SG 1 1 18 2279 1 1 1 ALA C C 2.244 3.628 1.543 1.00 . A A . 1 ALA C 1 1 18 2280 1 1 1 ALA CA C 3.252 4.685 1.981 1.00 . A A . 1 ALA CA 1 1 18 2281 1 1 1 ALA CB C 2.554 6.017 2.202 1.00 . A A . 1 ALA CB 1 1 18 2282 1 1 1 ALA H1 H 4.592 3.885 0.642 1.00 . A A . 1 ALA H1 1 1 18 2283 1 1 1 ALA H2 H 5.143 5.295 1.451 1.00 . A A . 1 ALA H2 1 1 18 2284 1 1 1 ALA H3 H 3.973 5.421 0.202 1.00 . A A . 1 ALA H3 1 1 18 2285 1 1 1 ALA HA H 3.694 4.379 2.917 1.00 . A A . 1 ALA HA 1 1 18 2286 1 1 1 ALA HB1 H 2.333 6.137 3.253 1.00 . A A . 1 ALA HB1 1 1 18 2287 1 1 1 ALA HB2 H 1.635 6.041 1.635 1.00 . A A . 1 ALA HB2 1 1 18 2288 1 1 1 ALA HB3 H 3.199 6.820 1.876 1.00 . A A . 1 ALA HB3 1 1 18 2289 1 1 1 ALA N N 4.338 4.835 0.978 1.00 . A A . 1 ALA N 1 1 18 2290 1 1 1 ALA O O 1.582 3.778 0.516 1.00 . A A . 1 ALA O 1 1 18 2291 1 1 2 CYS C C -0.074 1.955 1.429 1.00 . A A . 2 CYS C 1 1 18 2292 1 1 2 CYS CA C 1.234 1.452 2.040 1.00 . A A . 2 CYS CA 1 1 18 2293 1 1 2 CYS CB C 0.929 0.651 3.315 1.00 . A A . 2 CYS CB 1 1 18 2294 1 1 2 CYS H H 2.708 2.492 3.119 1.00 . A A . 2 CYS H 1 1 18 2295 1 1 2 CYS HA H 1.720 0.803 1.330 1.00 . A A . 2 CYS HA 1 1 18 2296 1 1 2 CYS HB2 H -0.137 0.627 3.476 1.00 . A A . 2 CYS HB2 1 1 18 2297 1 1 2 CYS HB3 H 1.284 -0.350 3.165 1.00 . A A . 2 CYS HB3 1 1 18 2298 1 1 2 CYS N N 2.144 2.554 2.328 1.00 . A A . 2 CYS N 1 1 18 2299 1 1 2 CYS O O -0.619 2.971 1.859 1.00 . A A . 2 CYS O 1 1 18 2300 1 1 2 CYS SG S 1.705 1.269 4.852 1.00 . A A . 2 CYS SG 1 1 18 2301 1 1 3 LEU C C -2.929 0.636 0.049 1.00 . A A . 3 LEU C 1 1 18 2302 1 1 3 LEU CA C -1.808 1.629 -0.246 1.00 . A A . 3 LEU CA 1 1 18 2303 1 1 3 LEU CB C -1.585 1.737 -1.754 1.00 . A A . 3 LEU CB 1 1 18 2304 1 1 3 LEU CD1 C -0.364 2.833 -3.651 1.00 . A A . 3 LEU CD1 1 1 18 2305 1 1 3 LEU CD2 C -1.649 4.229 -2.017 1.00 . A A . 3 LEU CD2 1 1 18 2306 1 1 3 LEU CG C -0.807 2.975 -2.202 1.00 . A A . 3 LEU CG 1 1 18 2307 1 1 3 LEU H H -0.087 0.444 0.115 1.00 . A A . 3 LEU H 1 1 18 2308 1 1 3 LEU HA H -2.096 2.598 0.133 1.00 . A A . 3 LEU HA 1 1 18 2309 1 1 3 LEU HB2 H -1.047 0.860 -2.081 1.00 . A A . 3 LEU HB2 1 1 18 2310 1 1 3 LEU HB3 H -2.549 1.750 -2.240 1.00 . A A . 3 LEU HB3 1 1 18 2311 1 1 3 LEU HD11 H -0.708 3.685 -4.219 1.00 . A A . 3 LEU HD11 1 1 18 2312 1 1 3 LEU HD12 H -0.782 1.929 -4.070 1.00 . A A . 3 LEU HD12 1 1 18 2313 1 1 3 LEU HD13 H 0.714 2.783 -3.694 1.00 . A A . 3 LEU HD13 1 1 18 2314 1 1 3 LEU HD21 H -1.160 5.064 -2.497 1.00 . A A . 3 LEU HD21 1 1 18 2315 1 1 3 LEU HD22 H -1.761 4.435 -0.963 1.00 . A A . 3 LEU HD22 1 1 18 2316 1 1 3 LEU HD23 H -2.622 4.078 -2.460 1.00 . A A . 3 LEU HD23 1 1 18 2317 1 1 3 LEU HG H 0.080 3.073 -1.592 1.00 . A A . 3 LEU HG 1 1 18 2318 1 1 3 LEU N N -0.568 1.243 0.420 1.00 . A A . 3 LEU N 1 1 18 2319 1 1 3 LEU O O -2.675 -0.524 0.371 1.00 . A A . 3 LEU O 1 1 18 2320 1 1 4 PRO C C -5.409 -0.984 -0.719 1.00 . A A . 4 PRO C 1 1 18 2321 1 1 4 PRO CA C -5.363 0.233 0.196 1.00 . A A . 4 PRO CA 1 1 18 2322 1 1 4 PRO CB C -6.553 1.157 -0.093 1.00 . A A . 4 PRO CB 1 1 18 2323 1 1 4 PRO CD C -4.585 2.450 -0.446 1.00 . A A . 4 PRO CD 1 1 18 2324 1 1 4 PRO CG C -6.006 2.537 0.024 1.00 . A A . 4 PRO CG 1 1 18 2325 1 1 4 PRO HA H -5.397 -0.091 1.225 1.00 . A A . 4 PRO HA 1 1 18 2326 1 1 4 PRO HB2 H -6.926 0.965 -1.088 1.00 . A A . 4 PRO HB2 1 1 18 2327 1 1 4 PRO HB3 H -7.335 0.980 0.631 1.00 . A A . 4 PRO HB3 1 1 18 2328 1 1 4 PRO HD2 H -4.534 2.579 -1.518 1.00 . A A . 4 PRO HD2 1 1 18 2329 1 1 4 PRO HD3 H -3.973 3.183 0.056 1.00 . A A . 4 PRO HD3 1 1 18 2330 1 1 4 PRO HG2 H -6.570 3.210 -0.605 1.00 . A A . 4 PRO HG2 1 1 18 2331 1 1 4 PRO HG3 H -6.042 2.863 1.053 1.00 . A A . 4 PRO HG3 1 1 18 2332 1 1 4 PRO N N -4.194 1.083 -0.061 1.00 . A A . 4 PRO N 1 1 18 2333 1 1 4 PRO O O -5.586 -2.113 -0.260 1.00 . A A . 4 PRO O 1 1 18 2334 1 1 5 TRP C C -3.906 -2.518 -3.077 1.00 . A A . 5 TRP C 1 1 18 2335 1 1 5 TRP CA C -5.267 -1.829 -2.999 1.00 . A A . 5 TRP CA 1 1 18 2336 1 1 5 TRP CB C -5.668 -1.313 -4.390 1.00 . A A . 5 TRP CB 1 1 18 2337 1 1 5 TRP CD1 C -7.410 0.566 -4.265 1.00 . A A . 5 TRP CD1 1 1 18 2338 1 1 5 TRP CD2 C -5.312 1.275 -4.587 1.00 . A A . 5 TRP CD2 1 1 18 2339 1 1 5 TRP CE2 C -6.161 2.397 -4.544 1.00 . A A . 5 TRP CE2 1 1 18 2340 1 1 5 TRP CE3 C -3.942 1.475 -4.779 1.00 . A A . 5 TRP CE3 1 1 18 2341 1 1 5 TRP CG C -6.130 0.114 -4.411 1.00 . A A . 5 TRP CG 1 1 18 2342 1 1 5 TRP CH2 C -4.340 3.864 -4.871 1.00 . A A . 5 TRP CH2 1 1 18 2343 1 1 5 TRP CZ2 C -5.685 3.698 -4.685 1.00 . A A . 5 TRP CZ2 1 1 18 2344 1 1 5 TRP CZ3 C -3.470 2.767 -4.919 1.00 . A A . 5 TRP CZ3 1 1 18 2345 1 1 5 TRP H H -5.104 0.173 -2.318 1.00 . A A . 5 TRP H 1 1 18 2346 1 1 5 TRP HA H -5.999 -2.552 -2.672 1.00 . A A . 5 TRP HA 1 1 18 2347 1 1 5 TRP HB2 H -4.820 -1.392 -5.053 1.00 . A A . 5 TRP HB2 1 1 18 2348 1 1 5 TRP HB3 H -6.471 -1.927 -4.772 1.00 . A A . 5 TRP HB3 1 1 18 2349 1 1 5 TRP HD1 H -8.266 -0.072 -4.111 1.00 . A A . 5 TRP HD1 1 1 18 2350 1 1 5 TRP HE1 H -8.241 2.496 -4.274 1.00 . A A . 5 TRP HE1 1 1 18 2351 1 1 5 TRP HE3 H -3.257 0.642 -4.817 1.00 . A A . 5 TRP HE3 1 1 18 2352 1 1 5 TRP HH2 H -3.928 4.856 -4.987 1.00 . A A . 5 TRP HH2 1 1 18 2353 1 1 5 TRP HZ2 H -6.342 4.554 -4.650 1.00 . A A . 5 TRP HZ2 1 1 18 2354 1 1 5 TRP HZ3 H -2.415 2.941 -5.068 1.00 . A A . 5 TRP HZ3 1 1 18 2355 1 1 5 TRP N N -5.246 -0.748 -2.016 1.00 . A A . 5 TRP N 1 1 18 2356 1 1 5 TRP NE1 N -7.438 1.938 -4.346 1.00 . A A . 5 TRP NE1 1 1 18 2357 1 1 5 TRP O O -3.768 -3.569 -3.704 1.00 . A A . 5 TRP O 1 1 18 2358 1 1 6 SER C C -0.763 -1.921 -1.255 1.00 . A A . 6 SER C 1 1 18 2359 1 1 6 SER CA C -1.560 -2.478 -2.428 1.00 . A A . 6 SER CA 1 1 18 2360 1 1 6 SER CB C -0.844 -2.161 -3.743 1.00 . A A . 6 SER CB 1 1 18 2361 1 1 6 SER H H -3.076 -1.088 -1.949 1.00 . A A . 6 SER H 1 1 18 2362 1 1 6 SER HA H -1.642 -3.549 -2.319 1.00 . A A . 6 SER HA 1 1 18 2363 1 1 6 SER HB2 H -1.254 -1.256 -4.165 1.00 . A A . 6 SER HB2 1 1 18 2364 1 1 6 SER HB3 H 0.210 -2.024 -3.552 1.00 . A A . 6 SER HB3 1 1 18 2365 1 1 6 SER HG H -0.495 -3.021 -5.469 1.00 . A A . 6 SER HG 1 1 18 2366 1 1 6 SER N N -2.905 -1.923 -2.435 1.00 . A A . 6 SER N 1 1 18 2367 1 1 6 SER O O 0.069 -1.030 -1.424 1.00 . A A . 6 SER O 1 1 18 2368 1 1 6 SER OG O -1.005 -3.213 -4.678 1.00 . A A . 6 SER OG 1 1 18 2369 1 1 7 ASP C C 1.174 -2.031 0.963 1.00 . A A . 7 ASP C 1 1 18 2370 1 1 7 ASP CA C -0.348 -1.991 1.144 1.00 . A A . 7 ASP CA 1 1 18 2371 1 1 7 ASP CB C -0.775 -2.828 2.361 1.00 . A A . 7 ASP CB 1 1 18 2372 1 1 7 ASP CG C -1.038 -4.284 2.018 1.00 . A A . 7 ASP CG 1 1 18 2373 1 1 7 ASP H H -1.714 -3.145 0.006 1.00 . A A . 7 ASP H 1 1 18 2374 1 1 7 ASP HA H -0.641 -0.964 1.312 1.00 . A A . 7 ASP HA 1 1 18 2375 1 1 7 ASP HB2 H 0.007 -2.791 3.105 1.00 . A A . 7 ASP HB2 1 1 18 2376 1 1 7 ASP HB3 H -1.679 -2.407 2.776 1.00 . A A . 7 ASP HB3 1 1 18 2377 1 1 7 ASP N N -1.033 -2.444 -0.063 1.00 . A A . 7 ASP N 1 1 18 2378 1 1 7 ASP O O 1.751 -1.123 0.366 1.00 . A A . 7 ASP O 1 1 18 2379 1 1 7 ASP OD1 O -1.948 -4.548 1.205 1.00 . A A . 7 ASP OD1 1 1 18 2380 1 1 7 ASP OD2 O -0.332 -5.158 2.563 1.00 . A A . 7 ASP OD2 1 1 18 2381 1 1 8 GLY C C 3.976 -3.027 2.674 1.00 . A A . 8 GLY C 1 1 18 2382 1 1 8 GLY CA C 3.262 -3.193 1.346 1.00 . A A . 8 GLY CA 1 1 18 2383 1 1 8 GLY H H 1.321 -3.778 1.939 1.00 . A A . 8 GLY H 1 1 18 2384 1 1 8 GLY HA2 H 3.501 -4.164 0.939 1.00 . A A . 8 GLY HA2 1 1 18 2385 1 1 8 GLY HA3 H 3.615 -2.432 0.664 1.00 . A A . 8 GLY HA3 1 1 18 2386 1 1 8 GLY N N 1.822 -3.079 1.474 1.00 . A A . 8 GLY N 1 1 18 2387 1 1 8 GLY O O 3.331 -2.888 3.713 1.00 . A A . 8 GLY O 1 1 18 2388 1 1 9 PRO C C 6.072 -1.463 4.440 1.00 . A A . 9 PRO C 1 1 18 2389 1 1 9 PRO CA C 6.113 -2.886 3.895 1.00 . A A . 9 PRO CA 1 1 18 2390 1 1 9 PRO CB C 7.529 -3.244 3.442 1.00 . A A . 9 PRO CB 1 1 18 2391 1 1 9 PRO CD C 6.170 -3.198 1.476 1.00 . A A . 9 PRO CD 1 1 18 2392 1 1 9 PRO CG C 7.555 -2.914 1.990 1.00 . A A . 9 PRO CG 1 1 18 2393 1 1 9 PRO HA H 5.792 -3.575 4.663 1.00 . A A . 9 PRO HA 1 1 18 2394 1 1 9 PRO HB2 H 8.247 -2.656 3.996 1.00 . A A . 9 PRO HB2 1 1 18 2395 1 1 9 PRO HB3 H 7.709 -4.295 3.610 1.00 . A A . 9 PRO HB3 1 1 18 2396 1 1 9 PRO HD2 H 5.898 -2.486 0.710 1.00 . A A . 9 PRO HD2 1 1 18 2397 1 1 9 PRO HD3 H 6.110 -4.207 1.093 1.00 . A A . 9 PRO HD3 1 1 18 2398 1 1 9 PRO HG2 H 7.798 -1.870 1.854 1.00 . A A . 9 PRO HG2 1 1 18 2399 1 1 9 PRO HG3 H 8.278 -3.537 1.484 1.00 . A A . 9 PRO HG3 1 1 18 2400 1 1 9 PRO N N 5.320 -3.038 2.671 1.00 . A A . 9 PRO N 1 1 18 2401 1 1 9 PRO O O 6.715 -0.562 3.902 1.00 . A A . 9 PRO O 1 1 18 2402 1 1 10 CYS C C 6.278 0.261 7.177 1.00 . A A . 10 CYS C 1 1 18 2403 1 1 10 CYS CA C 5.188 0.048 6.130 1.00 . A A . 10 CYS CA 1 1 18 2404 1 1 10 CYS CB C 3.807 0.207 6.770 1.00 . A A . 10 CYS CB 1 1 18 2405 1 1 10 CYS H H 4.823 -2.024 5.898 1.00 . A A . 10 CYS H 1 1 18 2406 1 1 10 CYS HA H 5.302 0.789 5.354 1.00 . A A . 10 CYS HA 1 1 18 2407 1 1 10 CYS HB2 H 3.785 -0.338 7.702 1.00 . A A . 10 CYS HB2 1 1 18 2408 1 1 10 CYS HB3 H 3.628 1.253 6.967 1.00 . A A . 10 CYS HB3 1 1 18 2409 1 1 10 CYS N N 5.312 -1.267 5.513 1.00 . A A . 10 CYS N 1 1 18 2410 1 1 10 CYS O O 6.039 -0.074 8.356 1.00 . A A . 10 CYS O 1 1 18 2411 1 1 10 CYS OXT O 7.362 0.759 6.807 1.00 . A A . 10 CYS OXT 1 1 18 2412 1 1 10 CYS SG S 2.433 -0.406 5.740 1.00 . A A . 10 CYS SG 1 1 19 2413 1 1 1 ALA C C 3.025 3.879 1.137 1.00 . A A . 1 ALA C 1 1 19 2414 1 1 1 ALA CA C 3.644 5.265 1.269 1.00 . A A . 1 ALA CA 1 1 19 2415 1 1 1 ALA CB C 3.217 6.148 0.106 1.00 . A A . 1 ALA CB 1 1 19 2416 1 1 1 ALA H1 H 5.443 4.551 0.573 1.00 . A A . 1 ALA H1 1 1 19 2417 1 1 1 ALA H2 H 5.380 4.802 2.270 1.00 . A A . 1 ALA H2 1 1 19 2418 1 1 1 ALA H3 H 5.503 6.143 1.206 1.00 . A A . 1 ALA H3 1 1 19 2419 1 1 1 ALA HA H 3.289 5.720 2.182 1.00 . A A . 1 ALA HA 1 1 19 2420 1 1 1 ALA HB1 H 2.189 6.450 0.242 1.00 . A A . 1 ALA HB1 1 1 19 2421 1 1 1 ALA HB2 H 3.311 5.597 -0.818 1.00 . A A . 1 ALA HB2 1 1 19 2422 1 1 1 ALA HB3 H 3.848 7.024 0.068 1.00 . A A . 1 ALA HB3 1 1 19 2423 1 1 1 ALA N N 5.126 5.183 1.335 1.00 . A A . 1 ALA N 1 1 19 2424 1 1 1 ALA O O 3.455 3.071 0.314 1.00 . A A . 1 ALA O 1 1 19 2425 1 1 2 CYS C C 0.147 2.354 0.986 1.00 . A A . 2 CYS C 1 1 19 2426 1 1 2 CYS CA C 1.334 2.328 1.942 1.00 . A A . 2 CYS CA 1 1 19 2427 1 1 2 CYS CB C 0.859 2.000 3.352 1.00 . A A . 2 CYS CB 1 1 19 2428 1 1 2 CYS H H 1.713 4.287 2.593 1.00 . A A . 2 CYS H 1 1 19 2429 1 1 2 CYS HA H 2.036 1.575 1.618 1.00 . A A . 2 CYS HA 1 1 19 2430 1 1 2 CYS HB2 H 1.150 2.800 4.005 1.00 . A A . 2 CYS HB2 1 1 19 2431 1 1 2 CYS HB3 H -0.212 1.926 3.351 1.00 . A A . 2 CYS HB3 1 1 19 2432 1 1 2 CYS N N 2.013 3.608 1.956 1.00 . A A . 2 CYS N 1 1 19 2433 1 1 2 CYS O O -0.383 3.416 0.662 1.00 . A A . 2 CYS O 1 1 19 2434 1 1 2 CYS SG S 1.535 0.457 4.049 1.00 . A A . 2 CYS SG 1 1 19 2435 1 1 3 LEU C C -2.626 0.509 0.356 1.00 . A A . 3 LEU C 1 1 19 2436 1 1 3 LEU CA C -1.397 1.053 -0.368 1.00 . A A . 3 LEU CA 1 1 19 2437 1 1 3 LEU CB C -1.039 0.137 -1.544 1.00 . A A . 3 LEU CB 1 1 19 2438 1 1 3 LEU CD1 C -1.661 0.712 -3.912 1.00 . A A . 3 LEU CD1 1 1 19 2439 1 1 3 LEU CD2 C -0.247 2.301 -2.597 1.00 . A A . 3 LEU CD2 1 1 19 2440 1 1 3 LEU CG C -0.589 0.835 -2.837 1.00 . A A . 3 LEU CG 1 1 19 2441 1 1 3 LEU H H 0.197 0.368 0.847 1.00 . A A . 3 LEU H 1 1 19 2442 1 1 3 LEU HA H -1.624 2.037 -0.743 1.00 . A A . 3 LEU HA 1 1 19 2443 1 1 3 LEU HB2 H -0.244 -0.517 -1.224 1.00 . A A . 3 LEU HB2 1 1 19 2444 1 1 3 LEU HB3 H -1.903 -0.468 -1.774 1.00 . A A . 3 LEU HB3 1 1 19 2445 1 1 3 LEU HD11 H -1.369 -0.043 -4.627 1.00 . A A . 3 LEU HD11 1 1 19 2446 1 1 3 LEU HD12 H -1.777 1.660 -4.417 1.00 . A A . 3 LEU HD12 1 1 19 2447 1 1 3 LEU HD13 H -2.599 0.431 -3.455 1.00 . A A . 3 LEU HD13 1 1 19 2448 1 1 3 LEU HD21 H 0.348 2.671 -3.418 1.00 . A A . 3 LEU HD21 1 1 19 2449 1 1 3 LEU HD22 H 0.310 2.396 -1.677 1.00 . A A . 3 LEU HD22 1 1 19 2450 1 1 3 LEU HD23 H -1.160 2.875 -2.526 1.00 . A A . 3 LEU HD23 1 1 19 2451 1 1 3 LEU HG H 0.302 0.343 -3.200 1.00 . A A . 3 LEU HG 1 1 19 2452 1 1 3 LEU N N -0.267 1.175 0.546 1.00 . A A . 3 LEU N 1 1 19 2453 1 1 3 LEU O O -2.555 -0.518 1.031 1.00 . A A . 3 LEU O 1 1 19 2454 1 1 4 PRO C C -5.352 -0.690 0.631 1.00 . A A . 4 PRO C 1 1 19 2455 1 1 4 PRO CA C -5.025 0.779 0.863 1.00 . A A . 4 PRO CA 1 1 19 2456 1 1 4 PRO CB C -6.073 1.659 0.184 1.00 . A A . 4 PRO CB 1 1 19 2457 1 1 4 PRO CD C -3.948 2.428 -0.572 1.00 . A A . 4 PRO CD 1 1 19 2458 1 1 4 PRO CG C -5.331 2.888 -0.203 1.00 . A A . 4 PRO CG 1 1 19 2459 1 1 4 PRO HA H -5.013 0.983 1.923 1.00 . A A . 4 PRO HA 1 1 19 2460 1 1 4 PRO HB2 H -6.470 1.146 -0.682 1.00 . A A . 4 PRO HB2 1 1 19 2461 1 1 4 PRO HB3 H -6.869 1.879 0.877 1.00 . A A . 4 PRO HB3 1 1 19 2462 1 1 4 PRO HD2 H -3.890 2.216 -1.630 1.00 . A A . 4 PRO HD2 1 1 19 2463 1 1 4 PRO HD3 H -3.215 3.171 -0.294 1.00 . A A . 4 PRO HD3 1 1 19 2464 1 1 4 PRO HG2 H -5.810 3.356 -1.051 1.00 . A A . 4 PRO HG2 1 1 19 2465 1 1 4 PRO HG3 H -5.289 3.571 0.632 1.00 . A A . 4 PRO HG3 1 1 19 2466 1 1 4 PRO N N -3.774 1.194 0.221 1.00 . A A . 4 PRO N 1 1 19 2467 1 1 4 PRO O O -6.091 -1.297 1.406 1.00 . A A . 4 PRO O 1 1 19 2468 1 1 5 TRP C C -3.996 -3.248 -1.659 1.00 . A A . 5 TRP C 1 1 19 2469 1 1 5 TRP CA C -5.090 -2.650 -0.775 1.00 . A A . 5 TRP CA 1 1 19 2470 1 1 5 TRP CB C -6.446 -2.761 -1.481 1.00 . A A . 5 TRP CB 1 1 19 2471 1 1 5 TRP CD1 C -7.810 -0.649 -2.000 1.00 . A A . 5 TRP CD1 1 1 19 2472 1 1 5 TRP CD2 C -6.169 -1.066 -3.464 1.00 . A A . 5 TRP CD2 1 1 19 2473 1 1 5 TRP CE2 C -6.834 0.110 -3.859 1.00 . A A . 5 TRP CE2 1 1 19 2474 1 1 5 TRP CE3 C -5.100 -1.523 -4.234 1.00 . A A . 5 TRP CE3 1 1 19 2475 1 1 5 TRP CG C -6.810 -1.538 -2.273 1.00 . A A . 5 TRP CG 1 1 19 2476 1 1 5 TRP CH2 C -5.411 0.359 -5.727 1.00 . A A . 5 TRP CH2 1 1 19 2477 1 1 5 TRP CZ2 C -6.463 0.831 -4.991 1.00 . A A . 5 TRP CZ2 1 1 19 2478 1 1 5 TRP CZ3 C -4.731 -0.808 -5.357 1.00 . A A . 5 TRP CZ3 1 1 19 2479 1 1 5 TRP H H -4.251 -0.722 -1.041 1.00 . A A . 5 TRP H 1 1 19 2480 1 1 5 TRP HA H -5.131 -3.204 0.149 1.00 . A A . 5 TRP HA 1 1 19 2481 1 1 5 TRP HB2 H -6.425 -3.602 -2.157 1.00 . A A . 5 TRP HB2 1 1 19 2482 1 1 5 TRP HB3 H -7.217 -2.921 -0.740 1.00 . A A . 5 TRP HB3 1 1 19 2483 1 1 5 TRP HD1 H -8.480 -0.728 -1.157 1.00 . A A . 5 TRP HD1 1 1 19 2484 1 1 5 TRP HE1 H -8.452 1.099 -2.972 1.00 . A A . 5 TRP HE1 1 1 19 2485 1 1 5 TRP HE3 H -4.563 -2.417 -3.962 1.00 . A A . 5 TRP HE3 1 1 19 2486 1 1 5 TRP HH2 H -5.091 0.886 -6.613 1.00 . A A . 5 TRP HH2 1 1 19 2487 1 1 5 TRP HZ2 H -6.977 1.733 -5.288 1.00 . A A . 5 TRP HZ2 1 1 19 2488 1 1 5 TRP HZ3 H -3.906 -1.149 -5.965 1.00 . A A . 5 TRP HZ3 1 1 19 2489 1 1 5 TRP N N -4.820 -1.255 -0.447 1.00 . A A . 5 TRP N 1 1 19 2490 1 1 5 TRP NE1 N -7.829 0.345 -2.949 1.00 . A A . 5 TRP NE1 1 1 19 2491 1 1 5 TRP O O -4.276 -4.082 -2.519 1.00 . A A . 5 TRP O 1 1 19 2492 1 1 6 SER C C -0.297 -2.933 -1.619 1.00 . A A . 6 SER C 1 1 19 2493 1 1 6 SER CA C -1.639 -3.337 -2.235 1.00 . A A . 6 SER CA 1 1 19 2494 1 1 6 SER CB C -1.756 -2.836 -3.678 1.00 . A A . 6 SER CB 1 1 19 2495 1 1 6 SER H H -2.577 -2.160 -0.750 1.00 . A A . 6 SER H 1 1 19 2496 1 1 6 SER HA H -1.702 -4.412 -2.238 1.00 . A A . 6 SER HA 1 1 19 2497 1 1 6 SER HB2 H -2.716 -3.121 -4.080 1.00 . A A . 6 SER HB2 1 1 19 2498 1 1 6 SER HB3 H -1.665 -1.760 -3.691 1.00 . A A . 6 SER HB3 1 1 19 2499 1 1 6 SER HG H -1.024 -4.246 -4.824 1.00 . A A . 6 SER HG 1 1 19 2500 1 1 6 SER N N -2.752 -2.826 -1.447 1.00 . A A . 6 SER N 1 1 19 2501 1 1 6 SER O O -0.143 -2.944 -0.399 1.00 . A A . 6 SER O 1 1 19 2502 1 1 6 SER OG O -0.739 -3.391 -4.494 1.00 . A A . 6 SER OG 1 1 19 2503 1 1 7 ASP C C 1.985 -1.388 -0.762 1.00 . A A . 7 ASP C 1 1 19 2504 1 1 7 ASP CA C 2.008 -2.188 -2.057 1.00 . A A . 7 ASP CA 1 1 19 2505 1 1 7 ASP CB C 2.678 -1.365 -3.159 1.00 . A A . 7 ASP CB 1 1 19 2506 1 1 7 ASP CG C 3.482 -2.225 -4.114 1.00 . A A . 7 ASP CG 1 1 19 2507 1 1 7 ASP H H 0.465 -2.618 -3.424 1.00 . A A . 7 ASP H 1 1 19 2508 1 1 7 ASP HA H 2.585 -3.086 -1.897 1.00 . A A . 7 ASP HA 1 1 19 2509 1 1 7 ASP HB2 H 1.919 -0.846 -3.724 1.00 . A A . 7 ASP HB2 1 1 19 2510 1 1 7 ASP HB3 H 3.343 -0.643 -2.707 1.00 . A A . 7 ASP HB3 1 1 19 2511 1 1 7 ASP N N 0.664 -2.591 -2.476 1.00 . A A . 7 ASP N 1 1 19 2512 1 1 7 ASP O O 1.908 -0.159 -0.773 1.00 . A A . 7 ASP O 1 1 19 2513 1 1 7 ASP OD1 O 2.906 -2.694 -5.118 1.00 . A A . 7 ASP OD1 1 1 19 2514 1 1 7 ASP OD2 O 4.687 -2.429 -3.857 1.00 . A A . 7 ASP OD2 1 1 19 2515 1 1 8 GLY C C 2.949 -2.117 2.651 1.00 . A A . 8 GLY C 1 1 19 2516 1 1 8 GLY CA C 2.029 -1.451 1.646 1.00 . A A . 8 GLY CA 1 1 19 2517 1 1 8 GLY H H 2.101 -3.076 0.289 1.00 . A A . 8 GLY H 1 1 19 2518 1 1 8 GLY HA2 H 2.334 -0.422 1.524 1.00 . A A . 8 GLY HA2 1 1 19 2519 1 1 8 GLY HA3 H 1.020 -1.472 2.030 1.00 . A A . 8 GLY HA3 1 1 19 2520 1 1 8 GLY N N 2.048 -2.099 0.351 1.00 . A A . 8 GLY N 1 1 19 2521 1 1 8 GLY O O 2.486 -2.852 3.523 1.00 . A A . 8 GLY O 1 1 19 2522 1 1 9 PRO C C 5.238 -1.760 4.837 1.00 . A A . 9 PRO C 1 1 19 2523 1 1 9 PRO CA C 5.241 -2.461 3.482 1.00 . A A . 9 PRO CA 1 1 19 2524 1 1 9 PRO CB C 6.571 -2.243 2.763 1.00 . A A . 9 PRO CB 1 1 19 2525 1 1 9 PRO CD C 4.911 -1.005 1.554 1.00 . A A . 9 PRO CD 1 1 19 2526 1 1 9 PRO CG C 6.362 -1.004 1.963 1.00 . A A . 9 PRO CG 1 1 19 2527 1 1 9 PRO HA H 5.069 -3.518 3.622 1.00 . A A . 9 PRO HA 1 1 19 2528 1 1 9 PRO HB2 H 7.361 -2.118 3.490 1.00 . A A . 9 PRO HB2 1 1 19 2529 1 1 9 PRO HB3 H 6.785 -3.090 2.129 1.00 . A A . 9 PRO HB3 1 1 19 2530 1 1 9 PRO HD2 H 4.508 -0.004 1.596 1.00 . A A . 9 PRO HD2 1 1 19 2531 1 1 9 PRO HD3 H 4.800 -1.417 0.562 1.00 . A A . 9 PRO HD3 1 1 19 2532 1 1 9 PRO HG2 H 6.579 -0.136 2.568 1.00 . A A . 9 PRO HG2 1 1 19 2533 1 1 9 PRO HG3 H 6.997 -1.020 1.089 1.00 . A A . 9 PRO HG3 1 1 19 2534 1 1 9 PRO N N 4.267 -1.874 2.559 1.00 . A A . 9 PRO N 1 1 19 2535 1 1 9 PRO O O 6.259 -1.229 5.277 1.00 . A A . 9 PRO O 1 1 19 2536 1 1 10 CYS C C 3.650 -2.155 7.880 1.00 . A A . 10 CYS C 1 1 19 2537 1 1 10 CYS CA C 3.940 -1.121 6.796 1.00 . A A . 10 CYS CA 1 1 19 2538 1 1 10 CYS CB C 2.819 -0.079 6.753 1.00 . A A . 10 CYS CB 1 1 19 2539 1 1 10 CYS H H 3.304 -2.197 5.089 1.00 . A A . 10 CYS H 1 1 19 2540 1 1 10 CYS HA H 4.871 -0.626 7.026 1.00 . A A . 10 CYS HA 1 1 19 2541 1 1 10 CYS HB2 H 1.870 -0.586 6.668 1.00 . A A . 10 CYS HB2 1 1 19 2542 1 1 10 CYS HB3 H 2.835 0.492 7.670 1.00 . A A . 10 CYS HB3 1 1 19 2543 1 1 10 CYS N N 4.082 -1.759 5.492 1.00 . A A . 10 CYS N 1 1 19 2544 1 1 10 CYS O O 3.974 -3.342 7.666 1.00 . A A . 10 CYS O 1 1 19 2545 1 1 10 CYS OXT O 3.104 -1.768 8.934 1.00 . A A . 10 CYS OXT 1 1 19 2546 1 1 10 CYS SG S 2.946 1.095 5.364 1.00 . A A . 10 CYS SG 1 1 20 2547 1 1 1 ALA C C 1.697 4.466 1.617 1.00 . A A . 1 ALA C 1 1 20 2548 1 1 1 ALA CA C 1.916 5.786 2.349 1.00 . A A . 1 ALA CA 1 1 20 2549 1 1 1 ALA CB C 0.916 6.827 1.869 1.00 . A A . 1 ALA CB 1 1 20 2550 1 1 1 ALA H1 H 3.414 7.146 2.718 1.00 . A A . 1 ALA H1 1 1 20 2551 1 1 1 ALA H2 H 3.434 6.469 1.141 1.00 . A A . 1 ALA H2 1 1 20 2552 1 1 1 ALA H3 H 3.953 5.536 2.485 1.00 . A A . 1 ALA H3 1 1 20 2553 1 1 1 ALA HA H 1.755 5.629 3.406 1.00 . A A . 1 ALA HA 1 1 20 2554 1 1 1 ALA HB1 H 0.039 6.332 1.480 1.00 . A A . 1 ALA HB1 1 1 20 2555 1 1 1 ALA HB2 H 1.366 7.427 1.092 1.00 . A A . 1 ALA HB2 1 1 20 2556 1 1 1 ALA HB3 H 0.634 7.463 2.696 1.00 . A A . 1 ALA HB3 1 1 20 2557 1 1 1 ALA N N 3.305 6.279 2.156 1.00 . A A . 1 ALA N 1 1 20 2558 1 1 1 ALA O O 1.497 4.447 0.403 1.00 . A A . 1 ALA O 1 1 20 2559 1 1 2 CYS C C 0.477 2.013 0.739 1.00 . A A . 2 CYS C 1 1 20 2560 1 1 2 CYS CA C 1.565 2.029 1.813 1.00 . A A . 2 CYS CA 1 1 20 2561 1 1 2 CYS CB C 1.208 1.025 2.919 1.00 . A A . 2 CYS CB 1 1 20 2562 1 1 2 CYS H H 1.923 3.449 3.321 1.00 . A A . 2 CYS H 1 1 20 2563 1 1 2 CYS HA H 2.500 1.731 1.361 1.00 . A A . 2 CYS HA 1 1 20 2564 1 1 2 CYS HB2 H 0.274 0.544 2.677 1.00 . A A . 2 CYS HB2 1 1 20 2565 1 1 2 CYS HB3 H 1.985 0.286 2.952 1.00 . A A . 2 CYS HB3 1 1 20 2566 1 1 2 CYS N N 1.747 3.365 2.367 1.00 . A A . 2 CYS N 1 1 20 2567 1 1 2 CYS O O -0.392 2.883 0.708 1.00 . A A . 2 CYS O 1 1 20 2568 1 1 2 CYS SG S 1.054 1.712 4.605 1.00 . A A . 2 CYS SG 1 1 20 2569 1 1 3 LEU C C -1.865 0.795 -0.647 1.00 . A A . 3 LEU C 1 1 20 2570 1 1 3 LEU CA C -0.446 0.882 -1.211 1.00 . A A . 3 LEU CA 1 1 20 2571 1 1 3 LEU CB C -0.141 -0.360 -2.049 1.00 . A A . 3 LEU CB 1 1 20 2572 1 1 3 LEU CD1 C 2.124 0.379 -2.827 1.00 . A A . 3 LEU CD1 1 1 20 2573 1 1 3 LEU CD2 C 0.886 -1.390 -4.088 1.00 . A A . 3 LEU CD2 1 1 20 2574 1 1 3 LEU CG C 0.755 -0.118 -3.264 1.00 . A A . 3 LEU CG 1 1 20 2575 1 1 3 LEU H H 1.250 0.350 -0.059 1.00 . A A . 3 LEU H 1 1 20 2576 1 1 3 LEU HA H -0.368 1.756 -1.838 1.00 . A A . 3 LEU HA 1 1 20 2577 1 1 3 LEU HB2 H 0.342 -1.087 -1.412 1.00 . A A . 3 LEU HB2 1 1 20 2578 1 1 3 LEU HB3 H -1.075 -0.775 -2.397 1.00 . A A . 3 LEU HB3 1 1 20 2579 1 1 3 LEU HD11 H 2.680 0.711 -3.691 1.00 . A A . 3 LEU HD11 1 1 20 2580 1 1 3 LEU HD12 H 2.660 -0.422 -2.340 1.00 . A A . 3 LEU HD12 1 1 20 2581 1 1 3 LEU HD13 H 2.005 1.203 -2.138 1.00 . A A . 3 LEU HD13 1 1 20 2582 1 1 3 LEU HD21 H -0.063 -1.904 -4.109 1.00 . A A . 3 LEU HD21 1 1 20 2583 1 1 3 LEU HD22 H 1.634 -2.031 -3.644 1.00 . A A . 3 LEU HD22 1 1 20 2584 1 1 3 LEU HD23 H 1.182 -1.137 -5.096 1.00 . A A . 3 LEU HD23 1 1 20 2585 1 1 3 LEU HG H 0.308 0.642 -3.888 1.00 . A A . 3 LEU HG 1 1 20 2586 1 1 3 LEU N N 0.533 1.014 -0.137 1.00 . A A . 3 LEU N 1 1 20 2587 1 1 3 LEU O O -2.127 0.016 0.267 1.00 . A A . 3 LEU O 1 1 20 2588 1 1 4 PRO C C -4.847 0.219 -0.810 1.00 . A A . 4 PRO C 1 1 20 2589 1 1 4 PRO CA C -4.198 1.595 -0.718 1.00 . A A . 4 PRO CA 1 1 20 2590 1 1 4 PRO CB C -4.897 2.568 -1.673 1.00 . A A . 4 PRO CB 1 1 20 2591 1 1 4 PRO CD C -2.592 2.559 -2.278 1.00 . A A . 4 PRO CD 1 1 20 2592 1 1 4 PRO CG C -3.809 3.434 -2.203 1.00 . A A . 4 PRO CG 1 1 20 2593 1 1 4 PRO HA H -4.277 1.962 0.295 1.00 . A A . 4 PRO HA 1 1 20 2594 1 1 4 PRO HB2 H -5.380 2.012 -2.464 1.00 . A A . 4 PRO HB2 1 1 20 2595 1 1 4 PRO HB3 H -5.631 3.144 -1.131 1.00 . A A . 4 PRO HB3 1 1 20 2596 1 1 4 PRO HD2 H -2.546 2.056 -3.233 1.00 . A A . 4 PRO HD2 1 1 20 2597 1 1 4 PRO HD3 H -1.698 3.141 -2.111 1.00 . A A . 4 PRO HD3 1 1 20 2598 1 1 4 PRO HG2 H -4.073 3.796 -3.186 1.00 . A A . 4 PRO HG2 1 1 20 2599 1 1 4 PRO HG3 H -3.636 4.261 -1.531 1.00 . A A . 4 PRO HG3 1 1 20 2600 1 1 4 PRO N N -2.805 1.595 -1.183 1.00 . A A . 4 PRO N 1 1 20 2601 1 1 4 PRO O O -5.286 -0.344 0.193 1.00 . A A . 4 PRO O 1 1 20 2602 1 1 5 TRP C C -4.675 -2.755 -1.705 1.00 . A A . 5 TRP C 1 1 20 2603 1 1 5 TRP CA C -5.520 -1.613 -2.272 1.00 . A A . 5 TRP CA 1 1 20 2604 1 1 5 TRP CB C -5.729 -1.821 -3.774 1.00 . A A . 5 TRP CB 1 1 20 2605 1 1 5 TRP CD1 C -3.268 -1.781 -4.484 1.00 . A A . 5 TRP CD1 1 1 20 2606 1 1 5 TRP CD2 C -4.589 -0.422 -5.676 1.00 . A A . 5 TRP CD2 1 1 20 2607 1 1 5 TRP CE2 C -3.272 -0.309 -6.163 1.00 . A A . 5 TRP CE2 1 1 20 2608 1 1 5 TRP CE3 C -5.595 0.341 -6.273 1.00 . A A . 5 TRP CE3 1 1 20 2609 1 1 5 TRP CG C -4.564 -1.373 -4.605 1.00 . A A . 5 TRP CG 1 1 20 2610 1 1 5 TRP CH2 C -3.945 1.272 -7.783 1.00 . A A . 5 TRP CH2 1 1 20 2611 1 1 5 TRP CZ2 C -2.939 0.537 -7.217 1.00 . A A . 5 TRP CZ2 1 1 20 2612 1 1 5 TRP CZ3 C -5.263 1.181 -7.319 1.00 . A A . 5 TRP CZ3 1 1 20 2613 1 1 5 TRP H H -4.552 0.200 -2.782 1.00 . A A . 5 TRP H 1 1 20 2614 1 1 5 TRP HA H -6.483 -1.624 -1.785 1.00 . A A . 5 TRP HA 1 1 20 2615 1 1 5 TRP HB2 H -5.890 -2.871 -3.967 1.00 . A A . 5 TRP HB2 1 1 20 2616 1 1 5 TRP HB3 H -6.599 -1.265 -4.090 1.00 . A A . 5 TRP HB3 1 1 20 2617 1 1 5 TRP HD1 H -2.923 -2.498 -3.756 1.00 . A A . 5 TRP HD1 1 1 20 2618 1 1 5 TRP HE1 H -1.520 -1.277 -5.535 1.00 . A A . 5 TRP HE1 1 1 20 2619 1 1 5 TRP HE3 H -6.617 0.284 -5.928 1.00 . A A . 5 TRP HE3 1 1 20 2620 1 1 5 TRP HH2 H -3.731 1.942 -8.602 1.00 . A A . 5 TRP HH2 1 1 20 2621 1 1 5 TRP HZ2 H -1.927 0.619 -7.587 1.00 . A A . 5 TRP HZ2 1 1 20 2622 1 1 5 TRP HZ3 H -6.028 1.779 -7.792 1.00 . A A . 5 TRP HZ3 1 1 20 2623 1 1 5 TRP N N -4.913 -0.308 -2.026 1.00 . A A . 5 TRP N 1 1 20 2624 1 1 5 TRP NE1 N -2.485 -1.148 -5.419 1.00 . A A . 5 TRP NE1 1 1 20 2625 1 1 5 TRP O O -5.117 -3.904 -1.681 1.00 . A A . 5 TRP O 1 1 20 2626 1 1 6 SER C C -1.827 -2.918 0.516 1.00 . A A . 6 SER C 1 1 20 2627 1 1 6 SER CA C -2.578 -3.462 -0.700 1.00 . A A . 6 SER CA 1 1 20 2628 1 1 6 SER CB C -1.603 -3.947 -1.778 1.00 . A A . 6 SER CB 1 1 20 2629 1 1 6 SER H H -3.151 -1.518 -1.296 1.00 . A A . 6 SER H 1 1 20 2630 1 1 6 SER HA H -3.187 -4.293 -0.382 1.00 . A A . 6 SER HA 1 1 20 2631 1 1 6 SER HB2 H -1.236 -4.927 -1.512 1.00 . A A . 6 SER HB2 1 1 20 2632 1 1 6 SER HB3 H -2.116 -4.001 -2.727 1.00 . A A . 6 SER HB3 1 1 20 2633 1 1 6 SER HG H 0.241 -3.537 -2.295 1.00 . A A . 6 SER HG 1 1 20 2634 1 1 6 SER N N -3.462 -2.446 -1.254 1.00 . A A . 6 SER N 1 1 20 2635 1 1 6 SER O O -2.380 -2.149 1.301 1.00 . A A . 6 SER O 1 1 20 2636 1 1 6 SER OG O -0.500 -3.068 -1.904 1.00 . A A . 6 SER OG 1 1 20 2637 1 1 7 ASP C C 1.694 -2.677 1.371 1.00 . A A . 7 ASP C 1 1 20 2638 1 1 7 ASP CA C 0.241 -2.874 1.796 1.00 . A A . 7 ASP CA 1 1 20 2639 1 1 7 ASP CB C 0.158 -3.879 2.948 1.00 . A A . 7 ASP CB 1 1 20 2640 1 1 7 ASP CG C -0.674 -3.364 4.106 1.00 . A A . 7 ASP CG 1 1 20 2641 1 1 7 ASP H H -0.188 -3.940 0.021 1.00 . A A . 7 ASP H 1 1 20 2642 1 1 7 ASP HA H -0.154 -1.926 2.129 1.00 . A A . 7 ASP HA 1 1 20 2643 1 1 7 ASP HB2 H -0.288 -4.794 2.588 1.00 . A A . 7 ASP HB2 1 1 20 2644 1 1 7 ASP HB3 H 1.155 -4.088 3.309 1.00 . A A . 7 ASP HB3 1 1 20 2645 1 1 7 ASP N N -0.573 -3.323 0.673 1.00 . A A . 7 ASP N 1 1 20 2646 1 1 7 ASP O O 2.131 -1.552 1.126 1.00 . A A . 7 ASP O 1 1 20 2647 1 1 7 ASP OD1 O -0.224 -2.418 4.786 1.00 . A A . 7 ASP OD1 1 1 20 2648 1 1 7 ASP OD2 O -1.776 -3.906 4.333 1.00 . A A . 7 ASP OD2 1 1 20 2649 1 1 8 GLY C C 4.719 -3.165 2.003 1.00 . A A . 8 GLY C 1 1 20 2650 1 1 8 GLY CA C 3.831 -3.701 0.892 1.00 . A A . 8 GLY CA 1 1 20 2651 1 1 8 GLY H H 2.034 -4.646 1.493 1.00 . A A . 8 GLY H 1 1 20 2652 1 1 8 GLY HA2 H 4.170 -4.690 0.622 1.00 . A A . 8 GLY HA2 1 1 20 2653 1 1 8 GLY HA3 H 3.916 -3.056 0.031 1.00 . A A . 8 GLY HA3 1 1 20 2654 1 1 8 GLY N N 2.436 -3.776 1.286 1.00 . A A . 8 GLY N 1 1 20 2655 1 1 8 GLY O O 4.825 -3.783 3.062 1.00 . A A . 8 GLY O 1 1 20 2656 1 1 9 PRO C C 5.469 -0.817 3.972 1.00 . A A . 9 PRO C 1 1 20 2657 1 1 9 PRO CA C 6.252 -1.409 2.804 1.00 . A A . 9 PRO CA 1 1 20 2658 1 1 9 PRO CB C 6.978 -0.307 2.031 1.00 . A A . 9 PRO CB 1 1 20 2659 1 1 9 PRO CD C 5.310 -1.194 0.564 1.00 . A A . 9 PRO CD 1 1 20 2660 1 1 9 PRO CG C 6.038 0.068 0.939 1.00 . A A . 9 PRO CG 1 1 20 2661 1 1 9 PRO HA H 6.969 -2.124 3.179 1.00 . A A . 9 PRO HA 1 1 20 2662 1 1 9 PRO HB2 H 7.176 0.527 2.689 1.00 . A A . 9 PRO HB2 1 1 20 2663 1 1 9 PRO HB3 H 7.907 -0.691 1.637 1.00 . A A . 9 PRO HB3 1 1 20 2664 1 1 9 PRO HD2 H 4.286 -0.974 0.301 1.00 . A A . 9 PRO HD2 1 1 20 2665 1 1 9 PRO HD3 H 5.813 -1.691 -0.252 1.00 . A A . 9 PRO HD3 1 1 20 2666 1 1 9 PRO HG2 H 5.341 0.812 1.295 1.00 . A A . 9 PRO HG2 1 1 20 2667 1 1 9 PRO HG3 H 6.592 0.447 0.092 1.00 . A A . 9 PRO HG3 1 1 20 2668 1 1 9 PRO N N 5.374 -2.008 1.794 1.00 . A A . 9 PRO N 1 1 20 2669 1 1 9 PRO O O 5.395 0.402 4.130 1.00 . A A . 9 PRO O 1 1 20 2670 1 1 10 CYS C C 3.820 -2.423 6.877 1.00 . A A . 10 CYS C 1 1 20 2671 1 1 10 CYS CA C 4.106 -1.252 5.941 1.00 . A A . 10 CYS CA 1 1 20 2672 1 1 10 CYS CB C 2.793 -0.614 5.483 1.00 . A A . 10 CYS CB 1 1 20 2673 1 1 10 CYS H H 4.980 -2.647 4.610 1.00 . A A . 10 CYS H 1 1 20 2674 1 1 10 CYS HA H 4.688 -0.515 6.474 1.00 . A A . 10 CYS HA 1 1 20 2675 1 1 10 CYS HB2 H 2.580 -0.932 4.473 1.00 . A A . 10 CYS HB2 1 1 20 2676 1 1 10 CYS HB3 H 1.995 -0.941 6.133 1.00 . A A . 10 CYS HB3 1 1 20 2677 1 1 10 CYS N N 4.885 -1.688 4.788 1.00 . A A . 10 CYS N 1 1 20 2678 1 1 10 CYS O O 2.912 -2.293 7.725 1.00 . A A . 10 CYS O 1 1 20 2679 1 1 10 CYS OXT O 4.506 -3.459 6.753 1.00 . A A . 10 CYS OXT 1 1 20 2680 1 1 10 CYS SG S 2.807 1.208 5.496 1.00 . A A . 10 CYS SG 1 1 21 2681 1 1 1 ALA C C 2.279 3.330 2.006 1.00 . A A . 1 ALA C 1 1 21 2682 1 1 1 ALA CA C 3.359 4.328 2.413 1.00 . A A . 1 ALA CA 1 1 21 2683 1 1 1 ALA CB C 3.611 5.323 1.290 1.00 . A A . 1 ALA CB 1 1 21 2684 1 1 1 ALA H1 H 5.393 4.323 2.719 1.00 . A A . 1 ALA H1 1 1 21 2685 1 1 1 ALA H2 H 4.759 2.855 2.095 1.00 . A A . 1 ALA H2 1 1 21 2686 1 1 1 ALA H3 H 4.515 3.267 3.744 1.00 . A A . 1 ALA H3 1 1 21 2687 1 1 1 ALA HA H 3.016 4.878 3.277 1.00 . A A . 1 ALA HA 1 1 21 2688 1 1 1 ALA HB1 H 4.017 6.235 1.702 1.00 . A A . 1 ALA HB1 1 1 21 2689 1 1 1 ALA HB2 H 2.682 5.539 0.784 1.00 . A A . 1 ALA HB2 1 1 21 2690 1 1 1 ALA HB3 H 4.314 4.901 0.587 1.00 . A A . 1 ALA HB3 1 1 21 2691 1 1 1 ALA N N 4.620 3.630 2.775 1.00 . A A . 1 ALA N 1 1 21 2692 1 1 1 ALA O O 1.725 3.415 0.910 1.00 . A A . 1 ALA O 1 1 21 2693 1 1 2 CYS C C -0.165 1.863 1.810 1.00 . A A . 2 CYS C 1 1 21 2694 1 1 2 CYS CA C 0.996 1.342 2.658 1.00 . A A . 2 CYS CA 1 1 21 2695 1 1 2 CYS CB C 0.455 0.793 3.986 1.00 . A A . 2 CYS CB 1 1 21 2696 1 1 2 CYS H H 2.484 2.360 3.741 1.00 . A A . 2 CYS H 1 1 21 2697 1 1 2 CYS HA H 1.479 0.539 2.123 1.00 . A A . 2 CYS HA 1 1 21 2698 1 1 2 CYS HB2 H -0.616 0.910 4.012 1.00 . A A . 2 CYS HB2 1 1 21 2699 1 1 2 CYS HB3 H 0.697 -0.251 4.032 1.00 . A A . 2 CYS HB3 1 1 21 2700 1 1 2 CYS N N 1.996 2.377 2.897 1.00 . A A . 2 CYS N 1 1 21 2701 1 1 2 CYS O O -0.831 2.830 2.179 1.00 . A A . 2 CYS O 1 1 21 2702 1 1 2 CYS SG S 1.129 1.563 5.501 1.00 . A A . 2 CYS SG 1 1 21 2703 1 1 3 LEU C C -2.688 0.700 -0.073 1.00 . A A . 3 LEU C 1 1 21 2704 1 1 3 LEU CA C -1.474 1.614 -0.228 1.00 . A A . 3 LEU CA 1 1 21 2705 1 1 3 LEU CB C -0.985 1.591 -1.676 1.00 . A A . 3 LEU CB 1 1 21 2706 1 1 3 LEU CD1 C 1.508 1.445 -1.447 1.00 . A A . 3 LEU CD1 1 1 21 2707 1 1 3 LEU CD2 C 0.502 2.647 -3.393 1.00 . A A . 3 LEU CD2 1 1 21 2708 1 1 3 LEU CG C 0.346 2.304 -1.920 1.00 . A A . 3 LEU CG 1 1 21 2709 1 1 3 LEU H H 0.170 0.452 0.432 1.00 . A A . 3 LEU H 1 1 21 2710 1 1 3 LEU HA H -1.763 2.622 0.028 1.00 . A A . 3 LEU HA 1 1 21 2711 1 1 3 LEU HB2 H -0.880 0.560 -1.982 1.00 . A A . 3 LEU HB2 1 1 21 2712 1 1 3 LEU HB3 H -1.736 2.057 -2.296 1.00 . A A . 3 LEU HB3 1 1 21 2713 1 1 3 LEU HD11 H 2.405 1.729 -1.977 1.00 . A A . 3 LEU HD11 1 1 21 2714 1 1 3 LEU HD12 H 1.290 0.405 -1.640 1.00 . A A . 3 LEU HD12 1 1 21 2715 1 1 3 LEU HD13 H 1.655 1.590 -0.387 1.00 . A A . 3 LEU HD13 1 1 21 2716 1 1 3 LEU HD21 H 0.724 1.749 -3.950 1.00 . A A . 3 LEU HD21 1 1 21 2717 1 1 3 LEU HD22 H 1.308 3.355 -3.514 1.00 . A A . 3 LEU HD22 1 1 21 2718 1 1 3 LEU HD23 H -0.417 3.081 -3.760 1.00 . A A . 3 LEU HD23 1 1 21 2719 1 1 3 LEU HG H 0.362 3.226 -1.357 1.00 . A A . 3 LEU HG 1 1 21 2720 1 1 3 LEU N N -0.398 1.215 0.673 1.00 . A A . 3 LEU N 1 1 21 2721 1 1 3 LEU O O -2.549 -0.482 0.237 1.00 . A A . 3 LEU O 1 1 21 2722 1 1 4 PRO C C -5.129 -0.784 -1.053 1.00 . A A . 4 PRO C 1 1 21 2723 1 1 4 PRO CA C -5.141 0.459 -0.171 1.00 . A A . 4 PRO CA 1 1 21 2724 1 1 4 PRO CB C -6.224 1.434 -0.642 1.00 . A A . 4 PRO CB 1 1 21 2725 1 1 4 PRO CD C -4.163 2.638 -0.666 1.00 . A A . 4 PRO CD 1 1 21 2726 1 1 4 PRO CG C -5.639 2.787 -0.428 1.00 . A A . 4 PRO CG 1 1 21 2727 1 1 4 PRO HA H -5.331 0.172 0.852 1.00 . A A . 4 PRO HA 1 1 21 2728 1 1 4 PRO HB2 H -6.441 1.258 -1.686 1.00 . A A . 4 PRO HB2 1 1 21 2729 1 1 4 PRO HB3 H -7.118 1.294 -0.055 1.00 . A A . 4 PRO HB3 1 1 21 2730 1 1 4 PRO HD2 H -3.929 2.808 -1.707 1.00 . A A . 4 PRO HD2 1 1 21 2731 1 1 4 PRO HD3 H -3.609 3.317 -0.036 1.00 . A A . 4 PRO HD3 1 1 21 2732 1 1 4 PRO HG2 H -6.064 3.487 -1.133 1.00 . A A . 4 PRO HG2 1 1 21 2733 1 1 4 PRO HG3 H -5.825 3.112 0.585 1.00 . A A . 4 PRO HG3 1 1 21 2734 1 1 4 PRO N N -3.902 1.237 -0.289 1.00 . A A . 4 PRO N 1 1 21 2735 1 1 4 PRO O O -5.180 -1.911 -0.558 1.00 . A A . 4 PRO O 1 1 21 2736 1 1 5 TRP C C -3.857 -2.599 -3.076 1.00 . A A . 5 TRP C 1 1 21 2737 1 1 5 TRP CA C -5.045 -1.669 -3.321 1.00 . A A . 5 TRP CA 1 1 21 2738 1 1 5 TRP CB C -4.997 -1.125 -4.751 1.00 . A A . 5 TRP CB 1 1 21 2739 1 1 5 TRP CD1 C -2.735 0.068 -4.604 1.00 . A A . 5 TRP CD1 1 1 21 2740 1 1 5 TRP CD2 C -4.385 1.330 -5.435 1.00 . A A . 5 TRP CD2 1 1 21 2741 1 1 5 TRP CE2 C -3.205 2.096 -5.409 1.00 . A A . 5 TRP CE2 1 1 21 2742 1 1 5 TRP CE3 C -5.558 1.916 -5.920 1.00 . A A . 5 TRP CE3 1 1 21 2743 1 1 5 TRP CG C -4.062 0.034 -4.919 1.00 . A A . 5 TRP CG 1 1 21 2744 1 1 5 TRP CH2 C -4.327 3.965 -6.319 1.00 . A A . 5 TRP CH2 1 1 21 2745 1 1 5 TRP CZ2 C -3.164 3.417 -5.849 1.00 . A A . 5 TRP CZ2 1 1 21 2746 1 1 5 TRP CZ3 C -5.516 3.227 -6.356 1.00 . A A . 5 TRP CZ3 1 1 21 2747 1 1 5 TRP H H -5.026 0.352 -2.692 1.00 . A A . 5 TRP H 1 1 21 2748 1 1 5 TRP HA H -5.957 -2.233 -3.193 1.00 . A A . 5 TRP HA 1 1 21 2749 1 1 5 TRP HB2 H -4.674 -1.912 -5.417 1.00 . A A . 5 TRP HB2 1 1 21 2750 1 1 5 TRP HB3 H -5.986 -0.801 -5.039 1.00 . A A . 5 TRP HB3 1 1 21 2751 1 1 5 TRP HD1 H -2.188 -0.763 -4.185 1.00 . A A . 5 TRP HD1 1 1 21 2752 1 1 5 TRP HE1 H -1.279 1.573 -4.764 1.00 . A A . 5 TRP HE1 1 1 21 2753 1 1 5 TRP HE3 H -6.484 1.363 -5.956 1.00 . A A . 5 TRP HE3 1 1 21 2754 1 1 5 TRP HH2 H -4.341 4.987 -6.669 1.00 . A A . 5 TRP HH2 1 1 21 2755 1 1 5 TRP HZ2 H -2.255 3.999 -5.827 1.00 . A A . 5 TRP HZ2 1 1 21 2756 1 1 5 TRP HZ3 H -6.413 3.697 -6.733 1.00 . A A . 5 TRP HZ3 1 1 21 2757 1 1 5 TRP N N -5.063 -0.570 -2.362 1.00 . A A . 5 TRP N 1 1 21 2758 1 1 5 TRP NE1 N -2.211 1.304 -4.898 1.00 . A A . 5 TRP NE1 1 1 21 2759 1 1 5 TRP O O -3.860 -3.750 -3.513 1.00 . A A . 5 TRP O 1 1 21 2760 1 1 6 SER C C -0.842 -2.227 -0.968 1.00 . A A . 6 SER C 1 1 21 2761 1 1 6 SER CA C -1.654 -2.883 -2.078 1.00 . A A . 6 SER CA 1 1 21 2762 1 1 6 SER CB C -0.792 -3.044 -3.332 1.00 . A A . 6 SER CB 1 1 21 2763 1 1 6 SER H H -2.896 -1.171 -2.054 1.00 . A A . 6 SER H 1 1 21 2764 1 1 6 SER HA H -1.977 -3.858 -1.745 1.00 . A A . 6 SER HA 1 1 21 2765 1 1 6 SER HB2 H -0.014 -3.767 -3.141 1.00 . A A . 6 SER HB2 1 1 21 2766 1 1 6 SER HB3 H -1.410 -3.386 -4.149 1.00 . A A . 6 SER HB3 1 1 21 2767 1 1 6 SER HG H 0.532 -1.980 -4.307 1.00 . A A . 6 SER HG 1 1 21 2768 1 1 6 SER N N -2.844 -2.095 -2.377 1.00 . A A . 6 SER N 1 1 21 2769 1 1 6 SER O O 0.019 -1.387 -1.228 1.00 . A A . 6 SER O 1 1 21 2770 1 1 6 SER OG O -0.191 -1.814 -3.698 1.00 . A A . 6 SER OG 1 1 21 2771 1 1 7 ASP C C 1.080 -2.219 1.290 1.00 . A A . 7 ASP C 1 1 21 2772 1 1 7 ASP CA C -0.431 -2.052 1.425 1.00 . A A . 7 ASP CA 1 1 21 2773 1 1 7 ASP CB C -0.921 -2.716 2.714 1.00 . A A . 7 ASP CB 1 1 21 2774 1 1 7 ASP CG C -2.305 -2.247 3.117 1.00 . A A . 7 ASP CG 1 1 21 2775 1 1 7 ASP H H -1.830 -3.279 0.416 1.00 . A A . 7 ASP H 1 1 21 2776 1 1 7 ASP HA H -0.659 -0.997 1.468 1.00 . A A . 7 ASP HA 1 1 21 2777 1 1 7 ASP HB2 H -0.951 -3.786 2.572 1.00 . A A . 7 ASP HB2 1 1 21 2778 1 1 7 ASP HB3 H -0.234 -2.483 3.515 1.00 . A A . 7 ASP HB3 1 1 21 2779 1 1 7 ASP N N -1.128 -2.610 0.272 1.00 . A A . 7 ASP N 1 1 21 2780 1 1 7 ASP O O 1.782 -1.288 0.895 1.00 . A A . 7 ASP O 1 1 21 2781 1 1 7 ASP OD1 O -2.424 -1.110 3.619 1.00 . A A . 7 ASP OD1 1 1 21 2782 1 1 7 ASP OD2 O -3.270 -3.018 2.930 1.00 . A A . 7 ASP OD2 1 1 21 2783 1 1 8 GLY C C 3.771 -3.063 2.691 1.00 . A A . 8 GLY C 1 1 21 2784 1 1 8 GLY CA C 3.000 -3.669 1.532 1.00 . A A . 8 GLY CA 1 1 21 2785 1 1 8 GLY H H 0.969 -4.113 1.932 1.00 . A A . 8 GLY H 1 1 21 2786 1 1 8 GLY HA2 H 3.160 -4.737 1.526 1.00 . A A . 8 GLY HA2 1 1 21 2787 1 1 8 GLY HA3 H 3.374 -3.253 0.608 1.00 . A A . 8 GLY HA3 1 1 21 2788 1 1 8 GLY N N 1.575 -3.408 1.622 1.00 . A A . 8 GLY N 1 1 21 2789 1 1 8 GLY O O 3.172 -2.531 3.625 1.00 . A A . 8 GLY O 1 1 21 2790 1 1 9 PRO C C 5.881 -1.053 3.786 1.00 . A A . 9 PRO C 1 1 21 2791 1 1 9 PRO CA C 5.955 -2.575 3.724 1.00 . A A . 9 PRO CA 1 1 21 2792 1 1 9 PRO CB C 7.367 -3.026 3.338 1.00 . A A . 9 PRO CB 1 1 21 2793 1 1 9 PRO CD C 5.913 -3.743 1.583 1.00 . A A . 9 PRO CD 1 1 21 2794 1 1 9 PRO CG C 7.306 -3.257 1.868 1.00 . A A . 9 PRO CG 1 1 21 2795 1 1 9 PRO HA H 5.693 -2.985 4.688 1.00 . A A . 9 PRO HA 1 1 21 2796 1 1 9 PRO HB2 H 8.076 -2.251 3.588 1.00 . A A . 9 PRO HB2 1 1 21 2797 1 1 9 PRO HB3 H 7.615 -3.933 3.869 1.00 . A A . 9 PRO HB3 1 1 21 2798 1 1 9 PRO HD2 H 5.584 -3.400 0.613 1.00 . A A . 9 PRO HD2 1 1 21 2799 1 1 9 PRO HD3 H 5.869 -4.821 1.639 1.00 . A A . 9 PRO HD3 1 1 21 2800 1 1 9 PRO HG2 H 7.495 -2.332 1.343 1.00 . A A . 9 PRO HG2 1 1 21 2801 1 1 9 PRO HG3 H 8.030 -4.006 1.583 1.00 . A A . 9 PRO HG3 1 1 21 2802 1 1 9 PRO N N 5.113 -3.128 2.658 1.00 . A A . 9 PRO N 1 1 21 2803 1 1 9 PRO O O 6.475 -0.358 2.961 1.00 . A A . 9 PRO O 1 1 21 2804 1 1 10 CYS C C 6.349 1.571 5.146 1.00 . A A . 10 CYS C 1 1 21 2805 1 1 10 CYS CA C 4.995 0.900 4.938 1.00 . A A . 10 CYS CA 1 1 21 2806 1 1 10 CYS CB C 4.077 1.201 6.125 1.00 . A A . 10 CYS CB 1 1 21 2807 1 1 10 CYS H H 4.698 -1.146 5.394 1.00 . A A . 10 CYS H 1 1 21 2808 1 1 10 CYS HA H 4.546 1.294 4.039 1.00 . A A . 10 CYS HA 1 1 21 2809 1 1 10 CYS HB2 H 4.603 0.984 7.042 1.00 . A A . 10 CYS HB2 1 1 21 2810 1 1 10 CYS HB3 H 3.812 2.248 6.108 1.00 . A A . 10 CYS HB3 1 1 21 2811 1 1 10 CYS N N 5.147 -0.540 4.768 1.00 . A A . 10 CYS N 1 1 21 2812 1 1 10 CYS O O 6.378 2.812 5.288 1.00 . A A . 10 CYS O 1 1 21 2813 1 1 10 CYS OXT O 7.368 0.850 5.167 1.00 . A A . 10 CYS OXT 1 1 21 2814 1 1 10 CYS SG S 2.530 0.237 6.133 1.00 . A A . 10 CYS SG 1 1 22 2815 1 1 1 ALA C C 1.857 4.863 2.528 1.00 . A A . 1 ALA C 1 1 22 2816 1 1 1 ALA CA C 1.550 6.165 3.259 1.00 . A A . 1 ALA CA 1 1 22 2817 1 1 1 ALA CB C 1.580 7.335 2.287 1.00 . A A . 1 ALA CB 1 1 22 2818 1 1 1 ALA H1 H 3.461 6.480 3.949 1.00 . A A . 1 ALA H1 1 1 22 2819 1 1 1 ALA H2 H 2.457 5.575 5.008 1.00 . A A . 1 ALA H2 1 1 22 2820 1 1 1 ALA H3 H 2.237 7.269 4.852 1.00 . A A . 1 ALA H3 1 1 22 2821 1 1 1 ALA HA H 0.556 6.104 3.679 1.00 . A A . 1 ALA HA 1 1 22 2822 1 1 1 ALA HB1 H 2.395 7.203 1.590 1.00 . A A . 1 ALA HB1 1 1 22 2823 1 1 1 ALA HB2 H 1.721 8.255 2.835 1.00 . A A . 1 ALA HB2 1 1 22 2824 1 1 1 ALA HB3 H 0.647 7.378 1.745 1.00 . A A . 1 ALA HB3 1 1 22 2825 1 1 1 ALA N N 2.513 6.393 4.367 1.00 . A A . 1 ALA N 1 1 22 2826 1 1 1 ALA O O 2.751 4.811 1.683 1.00 . A A . 1 ALA O 1 1 22 2827 1 1 2 CYS C C 0.489 2.415 0.948 1.00 . A A . 2 CYS C 1 1 22 2828 1 1 2 CYS CA C 1.300 2.517 2.239 1.00 . A A . 2 CYS CA 1 1 22 2829 1 1 2 CYS CB C 0.877 1.427 3.223 1.00 . A A . 2 CYS CB 1 1 22 2830 1 1 2 CYS H H 0.413 3.910 3.537 1.00 . A A . 2 CYS H 1 1 22 2831 1 1 2 CYS HA H 2.345 2.409 2.009 1.00 . A A . 2 CYS HA 1 1 22 2832 1 1 2 CYS HB2 H 0.549 1.900 4.137 1.00 . A A . 2 CYS HB2 1 1 22 2833 1 1 2 CYS HB3 H 0.053 0.883 2.802 1.00 . A A . 2 CYS HB3 1 1 22 2834 1 1 2 CYS N N 1.111 3.814 2.858 1.00 . A A . 2 CYS N 1 1 22 2835 1 1 2 CYS O O 0.066 3.429 0.392 1.00 . A A . 2 CYS O 1 1 22 2836 1 1 2 CYS SG S 2.179 0.227 3.678 1.00 . A A . 2 CYS SG 1 1 22 2837 1 1 3 LEU C C -1.954 0.648 -0.436 1.00 . A A . 3 LEU C 1 1 22 2838 1 1 3 LEU CA C -0.492 0.977 -0.751 1.00 . A A . 3 LEU CA 1 1 22 2839 1 1 3 LEU CB C 0.137 -0.148 -1.577 1.00 . A A . 3 LEU CB 1 1 22 2840 1 1 3 LEU CD1 C 1.341 -0.899 -3.642 1.00 . A A . 3 LEU CD1 1 1 22 2841 1 1 3 LEU CD2 C -0.241 1.034 -3.753 1.00 . A A . 3 LEU CD2 1 1 22 2842 1 1 3 LEU CG C 0.774 0.297 -2.894 1.00 . A A . 3 LEU CG 1 1 22 2843 1 1 3 LEU H H 0.632 0.415 0.958 1.00 . A A . 3 LEU H 1 1 22 2844 1 1 3 LEU HA H -0.455 1.891 -1.323 1.00 . A A . 3 LEU HA 1 1 22 2845 1 1 3 LEU HB2 H 0.898 -0.623 -0.975 1.00 . A A . 3 LEU HB2 1 1 22 2846 1 1 3 LEU HB3 H -0.628 -0.876 -1.802 1.00 . A A . 3 LEU HB3 1 1 22 2847 1 1 3 LEU HD11 H 0.766 -1.781 -3.400 1.00 . A A . 3 LEU HD11 1 1 22 2848 1 1 3 LEU HD12 H 2.370 -1.050 -3.353 1.00 . A A . 3 LEU HD12 1 1 22 2849 1 1 3 LEU HD13 H 1.289 -0.716 -4.706 1.00 . A A . 3 LEU HD13 1 1 22 2850 1 1 3 LEU HD21 H -0.044 0.833 -4.796 1.00 . A A . 3 LEU HD21 1 1 22 2851 1 1 3 LEU HD22 H -0.165 2.095 -3.570 1.00 . A A . 3 LEU HD22 1 1 22 2852 1 1 3 LEU HD23 H -1.237 0.696 -3.504 1.00 . A A . 3 LEU HD23 1 1 22 2853 1 1 3 LEU HG H 1.588 0.974 -2.681 1.00 . A A . 3 LEU HG 1 1 22 2854 1 1 3 LEU N N 0.272 1.191 0.474 1.00 . A A . 3 LEU N 1 1 22 2855 1 1 3 LEU O O -2.240 -0.314 0.278 1.00 . A A . 3 LEU O 1 1 22 2856 1 1 4 PRO C C -4.786 -0.182 -1.085 1.00 . A A . 4 PRO C 1 1 22 2857 1 1 4 PRO CA C -4.338 1.232 -0.731 1.00 . A A . 4 PRO CA 1 1 22 2858 1 1 4 PRO CB C -5.007 2.247 -1.661 1.00 . A A . 4 PRO CB 1 1 22 2859 1 1 4 PRO CD C -2.655 2.619 -1.825 1.00 . A A . 4 PRO CD 1 1 22 2860 1 1 4 PRO CG C -3.987 3.313 -1.859 1.00 . A A . 4 PRO CG 1 1 22 2861 1 1 4 PRO HA H -4.607 1.446 0.293 1.00 . A A . 4 PRO HA 1 1 22 2862 1 1 4 PRO HB2 H -5.265 1.767 -2.594 1.00 . A A . 4 PRO HB2 1 1 22 2863 1 1 4 PRO HB3 H -5.898 2.636 -1.192 1.00 . A A . 4 PRO HB3 1 1 22 2864 1 1 4 PRO HD2 H -2.363 2.313 -2.819 1.00 . A A . 4 PRO HD2 1 1 22 2865 1 1 4 PRO HD3 H -1.905 3.263 -1.390 1.00 . A A . 4 PRO HD3 1 1 22 2866 1 1 4 PRO HG2 H -4.137 3.792 -2.815 1.00 . A A . 4 PRO HG2 1 1 22 2867 1 1 4 PRO HG3 H -4.053 4.037 -1.060 1.00 . A A . 4 PRO HG3 1 1 22 2868 1 1 4 PRO N N -2.903 1.446 -0.964 1.00 . A A . 4 PRO N 1 1 22 2869 1 1 4 PRO O O -5.269 -0.924 -0.230 1.00 . A A . 4 PRO O 1 1 22 2870 1 1 5 TRP C C -3.824 -2.829 -2.822 1.00 . A A . 5 TRP C 1 1 22 2871 1 1 5 TRP CA C -5.016 -1.876 -2.822 1.00 . A A . 5 TRP CA 1 1 22 2872 1 1 5 TRP CB C -5.626 -1.798 -4.228 1.00 . A A . 5 TRP CB 1 1 22 2873 1 1 5 TRP CD1 C -3.905 -0.770 -5.827 1.00 . A A . 5 TRP CD1 1 1 22 2874 1 1 5 TRP CD2 C -5.585 0.604 -5.276 1.00 . A A . 5 TRP CD2 1 1 22 2875 1 1 5 TRP CE2 C -4.717 1.285 -6.150 1.00 . A A . 5 TRP CE2 1 1 22 2876 1 1 5 TRP CE3 C -6.716 1.270 -4.795 1.00 . A A . 5 TRP CE3 1 1 22 2877 1 1 5 TRP CG C -5.048 -0.709 -5.082 1.00 . A A . 5 TRP CG 1 1 22 2878 1 1 5 TRP CH2 C -6.061 3.226 -6.068 1.00 . A A . 5 TRP CH2 1 1 22 2879 1 1 5 TRP CZ2 C -4.946 2.599 -6.553 1.00 . A A . 5 TRP CZ2 1 1 22 2880 1 1 5 TRP CZ3 C -6.942 2.574 -5.196 1.00 . A A . 5 TRP CZ3 1 1 22 2881 1 1 5 TRP H H -4.234 0.089 -2.985 1.00 . A A . 5 TRP H 1 1 22 2882 1 1 5 TRP HA H -5.760 -2.257 -2.140 1.00 . A A . 5 TRP HA 1 1 22 2883 1 1 5 TRP HB2 H -5.462 -2.738 -4.734 1.00 . A A . 5 TRP HB2 1 1 22 2884 1 1 5 TRP HB3 H -6.689 -1.625 -4.140 1.00 . A A . 5 TRP HB3 1 1 22 2885 1 1 5 TRP HD1 H -3.265 -1.637 -5.889 1.00 . A A . 5 TRP HD1 1 1 22 2886 1 1 5 TRP HE1 H -2.947 0.630 -7.066 1.00 . A A . 5 TRP HE1 1 1 22 2887 1 1 5 TRP HE3 H -7.407 0.784 -4.123 1.00 . A A . 5 TRP HE3 1 1 22 2888 1 1 5 TRP HH2 H -6.276 4.244 -6.354 1.00 . A A . 5 TRP HH2 1 1 22 2889 1 1 5 TRP HZ2 H -4.276 3.115 -7.225 1.00 . A A . 5 TRP HZ2 1 1 22 2890 1 1 5 TRP HZ3 H -7.811 3.105 -4.835 1.00 . A A . 5 TRP HZ3 1 1 22 2891 1 1 5 TRP N N -4.624 -0.548 -2.352 1.00 . A A . 5 TRP N 1 1 22 2892 1 1 5 TRP NE1 N -3.699 0.426 -6.472 1.00 . A A . 5 TRP NE1 1 1 22 2893 1 1 5 TRP O O -3.671 -3.649 -3.728 1.00 . A A . 5 TRP O 1 1 22 2894 1 1 6 SER C C -0.884 -3.017 -0.571 1.00 . A A . 6 SER C 1 1 22 2895 1 1 6 SER CA C -1.802 -3.561 -1.661 1.00 . A A . 6 SER CA 1 1 22 2896 1 1 6 SER CB C -1.043 -3.648 -2.989 1.00 . A A . 6 SER CB 1 1 22 2897 1 1 6 SER H H -3.167 -2.041 -1.108 1.00 . A A . 6 SER H 1 1 22 2898 1 1 6 SER HA H -2.132 -4.549 -1.377 1.00 . A A . 6 SER HA 1 1 22 2899 1 1 6 SER HB2 H -1.245 -2.764 -3.576 1.00 . A A . 6 SER HB2 1 1 22 2900 1 1 6 SER HB3 H 0.017 -3.714 -2.792 1.00 . A A . 6 SER HB3 1 1 22 2901 1 1 6 SER HG H -1.318 -5.576 -3.196 1.00 . A A . 6 SER HG 1 1 22 2902 1 1 6 SER N N -2.985 -2.714 -1.797 1.00 . A A . 6 SER N 1 1 22 2903 1 1 6 SER O O 0.291 -2.744 -0.817 1.00 . A A . 6 SER O 1 1 22 2904 1 1 6 SER OG O -1.441 -4.788 -3.730 1.00 . A A . 6 SER OG 1 1 22 2905 1 1 7 ASP C C 0.798 -2.649 1.692 1.00 . A A . 7 ASP C 1 1 22 2906 1 1 7 ASP CA C -0.694 -2.330 1.782 1.00 . A A . 7 ASP CA 1 1 22 2907 1 1 7 ASP CB C -1.269 -2.892 3.083 1.00 . A A . 7 ASP CB 1 1 22 2908 1 1 7 ASP CG C -0.863 -2.075 4.294 1.00 . A A . 7 ASP CG 1 1 22 2909 1 1 7 ASP H H -2.383 -3.087 0.750 1.00 . A A . 7 ASP H 1 1 22 2910 1 1 7 ASP HA H -0.815 -1.257 1.786 1.00 . A A . 7 ASP HA 1 1 22 2911 1 1 7 ASP HB2 H -2.347 -2.895 3.021 1.00 . A A . 7 ASP HB2 1 1 22 2912 1 1 7 ASP HB3 H -0.918 -3.904 3.219 1.00 . A A . 7 ASP HB3 1 1 22 2913 1 1 7 ASP N N -1.439 -2.854 0.632 1.00 . A A . 7 ASP N 1 1 22 2914 1 1 7 ASP O O 1.616 -1.755 1.470 1.00 . A A . 7 ASP O 1 1 22 2915 1 1 7 ASP OD1 O 0.288 -2.228 4.755 1.00 . A A . 7 ASP OD1 1 1 22 2916 1 1 7 ASP OD2 O -1.695 -1.281 4.780 1.00 . A A . 7 ASP OD2 1 1 22 2917 1 1 8 GLY C C 3.408 -3.605 2.793 1.00 . A A . 8 GLY C 1 1 22 2918 1 1 8 GLY CA C 2.534 -4.332 1.788 1.00 . A A . 8 GLY CA 1 1 22 2919 1 1 8 GLY H H 0.447 -4.592 2.027 1.00 . A A . 8 GLY H 1 1 22 2920 1 1 8 GLY HA2 H 2.595 -5.394 1.976 1.00 . A A . 8 GLY HA2 1 1 22 2921 1 1 8 GLY HA3 H 2.906 -4.132 0.794 1.00 . A A . 8 GLY HA3 1 1 22 2922 1 1 8 GLY N N 1.143 -3.923 1.859 1.00 . A A . 8 GLY N 1 1 22 2923 1 1 8 GLY O O 3.000 -2.586 3.350 1.00 . A A . 8 GLY O 1 1 22 2924 1 1 9 PRO C C 6.192 -2.222 3.429 1.00 . A A . 9 PRO C 1 1 22 2925 1 1 9 PRO CA C 5.556 -3.488 3.993 1.00 . A A . 9 PRO CA 1 1 22 2926 1 1 9 PRO CB C 6.613 -4.572 4.203 1.00 . A A . 9 PRO CB 1 1 22 2927 1 1 9 PRO CD C 5.198 -5.320 2.424 1.00 . A A . 9 PRO CD 1 1 22 2928 1 1 9 PRO CG C 6.617 -5.342 2.929 1.00 . A A . 9 PRO CG 1 1 22 2929 1 1 9 PRO HA H 5.073 -3.262 4.933 1.00 . A A . 9 PRO HA 1 1 22 2930 1 1 9 PRO HB2 H 7.572 -4.112 4.393 1.00 . A A . 9 PRO HB2 1 1 22 2931 1 1 9 PRO HB3 H 6.333 -5.195 5.039 1.00 . A A . 9 PRO HB3 1 1 22 2932 1 1 9 PRO HD2 H 5.183 -5.244 1.347 1.00 . A A . 9 PRO HD2 1 1 22 2933 1 1 9 PRO HD3 H 4.670 -6.204 2.749 1.00 . A A . 9 PRO HD3 1 1 22 2934 1 1 9 PRO HG2 H 7.275 -4.868 2.216 1.00 . A A . 9 PRO HG2 1 1 22 2935 1 1 9 PRO HG3 H 6.933 -6.358 3.114 1.00 . A A . 9 PRO HG3 1 1 22 2936 1 1 9 PRO N N 4.628 -4.108 3.045 1.00 . A A . 9 PRO N 1 1 22 2937 1 1 9 PRO O O 7.182 -2.285 2.701 1.00 . A A . 9 PRO O 1 1 22 2938 1 1 10 CYS C C 7.006 0.867 4.343 1.00 . A A . 10 CYS C 1 1 22 2939 1 1 10 CYS CA C 6.125 0.206 3.288 1.00 . A A . 10 CYS CA 1 1 22 2940 1 1 10 CYS CB C 4.969 1.140 2.915 1.00 . A A . 10 CYS CB 1 1 22 2941 1 1 10 CYS H H 4.826 -1.088 4.348 1.00 . A A . 10 CYS H 1 1 22 2942 1 1 10 CYS HA H 6.720 0.017 2.408 1.00 . A A . 10 CYS HA 1 1 22 2943 1 1 10 CYS HB2 H 4.623 1.644 3.805 1.00 . A A . 10 CYS HB2 1 1 22 2944 1 1 10 CYS HB3 H 5.325 1.875 2.208 1.00 . A A . 10 CYS HB3 1 1 22 2945 1 1 10 CYS N N 5.615 -1.074 3.766 1.00 . A A . 10 CYS N 1 1 22 2946 1 1 10 CYS O O 6.453 1.542 5.237 1.00 . A A . 10 CYS O 1 1 22 2947 1 1 10 CYS OXT O 8.242 0.704 4.268 1.00 . A A . 10 CYS OXT 1 1 22 2948 1 1 10 CYS SG S 3.534 0.300 2.165 1.00 . A A . 10 CYS SG 1 1 23 2949 1 1 1 ALA C C 2.101 4.369 2.031 1.00 . A A . 1 ALA C 1 1 23 2950 1 1 1 ALA CA C 1.970 5.734 2.696 1.00 . A A . 1 ALA CA 1 1 23 2951 1 1 1 ALA CB C 0.596 6.326 2.418 1.00 . A A . 1 ALA CB 1 1 23 2952 1 1 1 ALA H1 H 3.926 6.129 2.197 1.00 . A A . 1 ALA H1 1 1 23 2953 1 1 1 ALA H2 H 3.087 7.449 2.904 1.00 . A A . 1 ALA H2 1 1 23 2954 1 1 1 ALA H3 H 2.766 6.996 1.280 1.00 . A A . 1 ALA H3 1 1 23 2955 1 1 1 ALA HA H 2.072 5.612 3.765 1.00 . A A . 1 ALA HA 1 1 23 2956 1 1 1 ALA HB1 H -0.109 5.528 2.233 1.00 . A A . 1 ALA HB1 1 1 23 2957 1 1 1 ALA HB2 H 0.649 6.968 1.551 1.00 . A A . 1 ALA HB2 1 1 23 2958 1 1 1 ALA HB3 H 0.272 6.900 3.272 1.00 . A A . 1 ALA HB3 1 1 23 2959 1 1 1 ALA N N 3.033 6.661 2.227 1.00 . A A . 1 ALA N 1 1 23 2960 1 1 1 ALA O O 2.964 4.164 1.177 1.00 . A A . 1 ALA O 1 1 23 2961 1 1 2 CYS C C 0.423 2.018 0.597 1.00 . A A . 2 CYS C 1 1 23 2962 1 1 2 CYS CA C 1.253 2.097 1.876 1.00 . A A . 2 CYS CA 1 1 23 2963 1 1 2 CYS CB C 0.718 1.122 2.920 1.00 . A A . 2 CYS CB 1 1 23 2964 1 1 2 CYS H H 0.573 3.655 3.109 1.00 . A A . 2 CYS H 1 1 23 2965 1 1 2 CYS HA H 2.276 1.840 1.647 1.00 . A A . 2 CYS HA 1 1 23 2966 1 1 2 CYS HB2 H 0.480 1.672 3.819 1.00 . A A . 2 CYS HB2 1 1 23 2967 1 1 2 CYS HB3 H -0.177 0.664 2.545 1.00 . A A . 2 CYS HB3 1 1 23 2968 1 1 2 CYS N N 1.240 3.437 2.426 1.00 . A A . 2 CYS N 1 1 23 2969 1 1 2 CYS O O 0.052 3.042 0.022 1.00 . A A . 2 CYS O 1 1 23 2970 1 1 2 CYS SG S 1.888 -0.198 3.381 1.00 . A A . 2 CYS SG 1 1 23 2971 1 1 3 LEU C C -2.128 0.852 -0.805 1.00 . A A . 3 LEU C 1 1 23 2972 1 1 3 LEU CA C -0.643 0.584 -1.057 1.00 . A A . 3 LEU CA 1 1 23 2973 1 1 3 LEU CB C -0.446 -0.846 -1.567 1.00 . A A . 3 LEU CB 1 1 23 2974 1 1 3 LEU CD1 C 0.995 -2.340 -2.974 1.00 . A A . 3 LEU CD1 1 1 23 2975 1 1 3 LEU CD2 C -0.542 -0.696 -4.066 1.00 . A A . 3 LEU CD2 1 1 23 2976 1 1 3 LEU CG C 0.353 -0.965 -2.866 1.00 . A A . 3 LEU CG 1 1 23 2977 1 1 3 LEU H H 0.465 0.020 0.657 1.00 . A A . 3 LEU H 1 1 23 2978 1 1 3 LEU HA H -0.285 1.275 -1.804 1.00 . A A . 3 LEU HA 1 1 23 2979 1 1 3 LEU HB2 H 0.065 -1.411 -0.801 1.00 . A A . 3 LEU HB2 1 1 23 2980 1 1 3 LEU HB3 H -1.418 -1.288 -1.728 1.00 . A A . 3 LEU HB3 1 1 23 2981 1 1 3 LEU HD11 H 1.972 -2.246 -3.423 1.00 . A A . 3 LEU HD11 1 1 23 2982 1 1 3 LEU HD12 H 0.376 -2.978 -3.586 1.00 . A A . 3 LEU HD12 1 1 23 2983 1 1 3 LEU HD13 H 1.091 -2.770 -1.988 1.00 . A A . 3 LEU HD13 1 1 23 2984 1 1 3 LEU HD21 H -1.569 -0.897 -3.801 1.00 . A A . 3 LEU HD21 1 1 23 2985 1 1 3 LEU HD22 H -0.249 -1.337 -4.885 1.00 . A A . 3 LEU HD22 1 1 23 2986 1 1 3 LEU HD23 H -0.443 0.337 -4.364 1.00 . A A . 3 LEU HD23 1 1 23 2987 1 1 3 LEU HG H 1.143 -0.227 -2.864 1.00 . A A . 3 LEU HG 1 1 23 2988 1 1 3 LEU N N 0.139 0.797 0.156 1.00 . A A . 3 LEU N 1 1 23 2989 1 1 3 LEU O O -2.665 0.472 0.235 1.00 . A A . 3 LEU O 1 1 23 2990 1 1 4 PRO C C -5.089 0.575 -1.397 1.00 . A A . 4 PRO C 1 1 23 2991 1 1 4 PRO CA C -4.243 1.821 -1.629 1.00 . A A . 4 PRO CA 1 1 23 2992 1 1 4 PRO CB C -4.598 2.456 -2.978 1.00 . A A . 4 PRO CB 1 1 23 2993 1 1 4 PRO CD C -2.259 2.000 -3.033 1.00 . A A . 4 PRO CD 1 1 23 2994 1 1 4 PRO CG C -3.306 2.963 -3.514 1.00 . A A . 4 PRO CG 1 1 23 2995 1 1 4 PRO HA H -4.423 2.531 -0.835 1.00 . A A . 4 PRO HA 1 1 23 2996 1 1 4 PRO HB2 H -5.029 1.707 -3.627 1.00 . A A . 4 PRO HB2 1 1 23 2997 1 1 4 PRO HB3 H -5.304 3.258 -2.826 1.00 . A A . 4 PRO HB3 1 1 23 2998 1 1 4 PRO HD2 H -2.137 1.191 -3.739 1.00 . A A . 4 PRO HD2 1 1 23 2999 1 1 4 PRO HD3 H -1.321 2.510 -2.875 1.00 . A A . 4 PRO HD3 1 1 23 3000 1 1 4 PRO HG2 H -3.336 2.977 -4.594 1.00 . A A . 4 PRO HG2 1 1 23 3001 1 1 4 PRO HG3 H -3.110 3.952 -3.129 1.00 . A A . 4 PRO HG3 1 1 23 3002 1 1 4 PRO N N -2.814 1.509 -1.758 1.00 . A A . 4 PRO N 1 1 23 3003 1 1 4 PRO O O -5.900 0.525 -0.472 1.00 . A A . 4 PRO O 1 1 23 3004 1 1 5 TRP C C -4.742 -2.817 -1.673 1.00 . A A . 5 TRP C 1 1 23 3005 1 1 5 TRP CA C -5.644 -1.677 -2.140 1.00 . A A . 5 TRP CA 1 1 23 3006 1 1 5 TRP CB C -6.294 -2.038 -3.485 1.00 . A A . 5 TRP CB 1 1 23 3007 1 1 5 TRP CD1 C -6.424 -0.095 -5.154 1.00 . A A . 5 TRP CD1 1 1 23 3008 1 1 5 TRP CD2 C -4.628 -1.406 -5.410 1.00 . A A . 5 TRP CD2 1 1 23 3009 1 1 5 TRP CE2 C -4.581 -0.387 -6.380 1.00 . A A . 5 TRP CE2 1 1 23 3010 1 1 5 TRP CE3 C -3.600 -2.351 -5.377 1.00 . A A . 5 TRP CE3 1 1 23 3011 1 1 5 TRP CG C -5.816 -1.202 -4.636 1.00 . A A . 5 TRP CG 1 1 23 3012 1 1 5 TRP CH2 C -2.553 -1.228 -7.251 1.00 . A A . 5 TRP CH2 1 1 23 3013 1 1 5 TRP CZ2 C -3.546 -0.289 -7.307 1.00 . A A . 5 TRP CZ2 1 1 23 3014 1 1 5 TRP CZ3 C -2.574 -2.253 -6.297 1.00 . A A . 5 TRP CZ3 1 1 23 3015 1 1 5 TRP H H -4.237 -0.325 -2.964 1.00 . A A . 5 TRP H 1 1 23 3016 1 1 5 TRP HA H -6.423 -1.532 -1.406 1.00 . A A . 5 TRP HA 1 1 23 3017 1 1 5 TRP HB2 H -6.079 -3.071 -3.715 1.00 . A A . 5 TRP HB2 1 1 23 3018 1 1 5 TRP HB3 H -7.363 -1.911 -3.403 1.00 . A A . 5 TRP HB3 1 1 23 3019 1 1 5 TRP HD1 H -7.349 0.320 -4.783 1.00 . A A . 5 TRP HD1 1 1 23 3020 1 1 5 TRP HE1 H -5.918 1.189 -6.738 1.00 . A A . 5 TRP HE1 1 1 23 3021 1 1 5 TRP HE3 H -3.599 -3.148 -4.648 1.00 . A A . 5 TRP HE3 1 1 23 3022 1 1 5 TRP HH2 H -1.732 -1.190 -7.951 1.00 . A A . 5 TRP HH2 1 1 23 3023 1 1 5 TRP HZ2 H -3.516 0.496 -8.049 1.00 . A A . 5 TRP HZ2 1 1 23 3024 1 1 5 TRP HZ3 H -1.771 -2.975 -6.286 1.00 . A A . 5 TRP HZ3 1 1 23 3025 1 1 5 TRP N N -4.897 -0.428 -2.247 1.00 . A A . 5 TRP N 1 1 23 3026 1 1 5 TRP NE1 N -5.688 0.401 -6.203 1.00 . A A . 5 TRP NE1 1 1 23 3027 1 1 5 TRP O O -5.034 -3.989 -1.911 1.00 . A A . 5 TRP O 1 1 23 3028 1 1 6 SER C C -1.884 -2.858 0.639 1.00 . A A . 6 SER C 1 1 23 3029 1 1 6 SER CA C -2.705 -3.452 -0.505 1.00 . A A . 6 SER CA 1 1 23 3030 1 1 6 SER CB C -1.796 -3.931 -1.642 1.00 . A A . 6 SER CB 1 1 23 3031 1 1 6 SER H H -3.464 -1.519 -0.846 1.00 . A A . 6 SER H 1 1 23 3032 1 1 6 SER HA H -3.269 -4.291 -0.127 1.00 . A A . 6 SER HA 1 1 23 3033 1 1 6 SER HB2 H -0.939 -3.280 -1.714 1.00 . A A . 6 SER HB2 1 1 23 3034 1 1 6 SER HB3 H -1.466 -4.939 -1.435 1.00 . A A . 6 SER HB3 1 1 23 3035 1 1 6 SER HG H -1.868 -3.693 -3.585 1.00 . A A . 6 SER HG 1 1 23 3036 1 1 6 SER N N -3.646 -2.466 -1.006 1.00 . A A . 6 SER N 1 1 23 3037 1 1 6 SER O O -2.393 -2.059 1.425 1.00 . A A . 6 SER O 1 1 23 3038 1 1 6 SER OG O -2.481 -3.922 -2.882 1.00 . A A . 6 SER OG 1 1 23 3039 1 1 7 ASP C C 1.708 -2.685 1.300 1.00 . A A . 7 ASP C 1 1 23 3040 1 1 7 ASP CA C 0.259 -2.742 1.778 1.00 . A A . 7 ASP CA 1 1 23 3041 1 1 7 ASP CB C 0.148 -3.617 3.029 1.00 . A A . 7 ASP CB 1 1 23 3042 1 1 7 ASP CG C -0.955 -3.157 3.961 1.00 . A A . 7 ASP CG 1 1 23 3043 1 1 7 ASP H H -0.270 -3.879 0.076 1.00 . A A . 7 ASP H 1 1 23 3044 1 1 7 ASP HA H -0.063 -1.741 2.023 1.00 . A A . 7 ASP HA 1 1 23 3045 1 1 7 ASP HB2 H -0.058 -4.634 2.732 1.00 . A A . 7 ASP HB2 1 1 23 3046 1 1 7 ASP HB3 H 1.085 -3.586 3.566 1.00 . A A . 7 ASP HB3 1 1 23 3047 1 1 7 ASP N N -0.619 -3.245 0.729 1.00 . A A . 7 ASP N 1 1 23 3048 1 1 7 ASP O O 2.187 -1.636 0.870 1.00 . A A . 7 ASP O 1 1 23 3049 1 1 7 ASP OD1 O -2.115 -3.574 3.759 1.00 . A A . 7 ASP OD1 1 1 23 3050 1 1 7 ASP OD2 O -0.660 -2.380 4.893 1.00 . A A . 7 ASP OD2 1 1 23 3051 1 1 8 GLY C C 4.737 -3.319 2.004 1.00 . A A . 8 GLY C 1 1 23 3052 1 1 8 GLY CA C 3.789 -3.864 0.949 1.00 . A A . 8 GLY CA 1 1 23 3053 1 1 8 GLY H H 1.973 -4.624 1.727 1.00 . A A . 8 GLY H 1 1 23 3054 1 1 8 GLY HA2 H 4.053 -4.890 0.739 1.00 . A A . 8 GLY HA2 1 1 23 3055 1 1 8 GLY HA3 H 3.896 -3.284 0.046 1.00 . A A . 8 GLY HA3 1 1 23 3056 1 1 8 GLY N N 2.403 -3.816 1.376 1.00 . A A . 8 GLY N 1 1 23 3057 1 1 8 GLY O O 4.878 -3.912 3.074 1.00 . A A . 8 GLY O 1 1 23 3058 1 1 9 PRO C C 5.630 -0.929 3.870 1.00 . A A . 9 PRO C 1 1 23 3059 1 1 9 PRO CA C 6.344 -1.578 2.688 1.00 . A A . 9 PRO CA 1 1 23 3060 1 1 9 PRO CB C 7.063 -0.519 1.852 1.00 . A A . 9 PRO CB 1 1 23 3061 1 1 9 PRO CD C 5.308 -1.402 0.487 1.00 . A A . 9 PRO CD 1 1 23 3062 1 1 9 PRO CG C 6.084 -0.149 0.792 1.00 . A A . 9 PRO CG 1 1 23 3063 1 1 9 PRO HA H 7.059 -2.300 3.053 1.00 . A A . 9 PRO HA 1 1 23 3064 1 1 9 PRO HB2 H 7.312 0.328 2.475 1.00 . A A . 9 PRO HB2 1 1 23 3065 1 1 9 PRO HB3 H 7.962 -0.940 1.428 1.00 . A A . 9 PRO HB3 1 1 23 3066 1 1 9 PRO HD2 H 4.279 -1.162 0.263 1.00 . A A . 9 PRO HD2 1 1 23 3067 1 1 9 PRO HD3 H 5.760 -1.934 -0.337 1.00 . A A . 9 PRO HD3 1 1 23 3068 1 1 9 PRO HG2 H 5.423 0.622 1.156 1.00 . A A . 9 PRO HG2 1 1 23 3069 1 1 9 PRO HG3 H 6.609 0.190 -0.089 1.00 . A A . 9 PRO HG3 1 1 23 3070 1 1 9 PRO N N 5.408 -2.183 1.735 1.00 . A A . 9 PRO N 1 1 23 3071 1 1 9 PRO O O 5.389 0.278 3.876 1.00 . A A . 9 PRO O 1 1 23 3072 1 1 10 CYS C C 5.073 -1.990 7.304 1.00 . A A . 10 CYS C 1 1 23 3073 1 1 10 CYS CA C 4.609 -1.243 6.058 1.00 . A A . 10 CYS CA 1 1 23 3074 1 1 10 CYS CB C 3.093 -1.385 5.897 1.00 . A A . 10 CYS CB 1 1 23 3075 1 1 10 CYS H H 5.514 -2.692 4.807 1.00 . A A . 10 CYS H 1 1 23 3076 1 1 10 CYS HA H 4.853 -0.197 6.168 1.00 . A A . 10 CYS HA 1 1 23 3077 1 1 10 CYS HB2 H 2.888 -2.153 5.166 1.00 . A A . 10 CYS HB2 1 1 23 3078 1 1 10 CYS HB3 H 2.663 -1.674 6.845 1.00 . A A . 10 CYS HB3 1 1 23 3079 1 1 10 CYS N N 5.294 -1.739 4.870 1.00 . A A . 10 CYS N 1 1 23 3080 1 1 10 CYS O O 4.479 -3.043 7.617 1.00 . A A . 10 CYS O 1 1 23 3081 1 1 10 CYS OXT O 6.027 -1.516 7.956 1.00 . A A . 10 CYS OXT 1 1 23 3082 1 1 10 CYS SG S 2.256 0.138 5.348 1.00 . A A . 10 CYS SG 1 1 24 3083 1 1 1 ALA C C 2.551 4.402 1.263 1.00 . A A . 1 ALA C 1 1 24 3084 1 1 1 ALA CA C 3.091 5.798 1.550 1.00 . A A . 1 ALA CA 1 1 24 3085 1 1 1 ALA CB C 3.163 6.608 0.263 1.00 . A A . 1 ALA CB 1 1 24 3086 1 1 1 ALA H1 H 4.762 6.705 2.335 1.00 . A A . 1 ALA H1 1 1 24 3087 1 1 1 ALA H2 H 5.062 5.209 1.549 1.00 . A A . 1 ALA H2 1 1 24 3088 1 1 1 ALA H3 H 4.323 5.235 3.098 1.00 . A A . 1 ALA H3 1 1 24 3089 1 1 1 ALA HA H 2.416 6.302 2.226 1.00 . A A . 1 ALA HA 1 1 24 3090 1 1 1 ALA HB1 H 4.047 6.327 -0.290 1.00 . A A . 1 ALA HB1 1 1 24 3091 1 1 1 ALA HB2 H 3.206 7.660 0.502 1.00 . A A . 1 ALA HB2 1 1 24 3092 1 1 1 ALA HB3 H 2.286 6.411 -0.335 1.00 . A A . 1 ALA HB3 1 1 24 3093 1 1 1 ALA N N 4.430 5.731 2.191 1.00 . A A . 1 ALA N 1 1 24 3094 1 1 1 ALA O O 2.899 3.785 0.257 1.00 . A A . 1 ALA O 1 1 24 3095 1 1 2 CYS C C -0.158 2.661 1.155 1.00 . A A . 2 CYS C 1 1 24 3096 1 1 2 CYS CA C 1.108 2.593 2.002 1.00 . A A . 2 CYS CA 1 1 24 3097 1 1 2 CYS CB C 0.794 2.023 3.379 1.00 . A A . 2 CYS CB 1 1 24 3098 1 1 2 CYS H H 1.453 4.440 2.937 1.00 . A A . 2 CYS H 1 1 24 3099 1 1 2 CYS HA H 1.829 1.956 1.511 1.00 . A A . 2 CYS HA 1 1 24 3100 1 1 2 CYS HB2 H 1.098 2.738 4.125 1.00 . A A . 2 CYS HB2 1 1 24 3101 1 1 2 CYS HB3 H -0.264 1.866 3.459 1.00 . A A . 2 CYS HB3 1 1 24 3102 1 1 2 CYS N N 1.697 3.907 2.154 1.00 . A A . 2 CYS N 1 1 24 3103 1 1 2 CYS O O -0.732 3.734 0.968 1.00 . A A . 2 CYS O 1 1 24 3104 1 1 2 CYS SG S 1.636 0.452 3.755 1.00 . A A . 2 CYS SG 1 1 24 3105 1 1 3 LEU C C -2.760 0.391 0.365 1.00 . A A . 3 LEU C 1 1 24 3106 1 1 3 LEU CA C -1.797 1.441 -0.171 1.00 . A A . 3 LEU CA 1 1 24 3107 1 1 3 LEU CB C -1.468 1.105 -1.634 1.00 . A A . 3 LEU CB 1 1 24 3108 1 1 3 LEU CD1 C -1.211 2.307 -3.821 1.00 . A A . 3 LEU CD1 1 1 24 3109 1 1 3 LEU CD2 C -0.585 3.480 -1.716 1.00 . A A . 3 LEU CD2 1 1 24 3110 1 1 3 LEU CG C -0.640 2.134 -2.422 1.00 . A A . 3 LEU CG 1 1 24 3111 1 1 3 LEU H H -0.097 0.691 0.848 1.00 . A A . 3 LEU H 1 1 24 3112 1 1 3 LEU HA H -2.276 2.405 -0.132 1.00 . A A . 3 LEU HA 1 1 24 3113 1 1 3 LEU HB2 H -0.935 0.169 -1.647 1.00 . A A . 3 LEU HB2 1 1 24 3114 1 1 3 LEU HB3 H -2.404 0.963 -2.155 1.00 . A A . 3 LEU HB3 1 1 24 3115 1 1 3 LEU HD11 H -2.221 2.683 -3.753 1.00 . A A . 3 LEU HD11 1 1 24 3116 1 1 3 LEU HD12 H -1.215 1.355 -4.329 1.00 . A A . 3 LEU HD12 1 1 24 3117 1 1 3 LEU HD13 H -0.603 3.007 -4.375 1.00 . A A . 3 LEU HD13 1 1 24 3118 1 1 3 LEU HD21 H -1.501 3.642 -1.171 1.00 . A A . 3 LEU HD21 1 1 24 3119 1 1 3 LEU HD22 H -0.460 4.262 -2.449 1.00 . A A . 3 LEU HD22 1 1 24 3120 1 1 3 LEU HD23 H 0.250 3.492 -1.033 1.00 . A A . 3 LEU HD23 1 1 24 3121 1 1 3 LEU HG H 0.372 1.767 -2.522 1.00 . A A . 3 LEU HG 1 1 24 3122 1 1 3 LEU N N -0.592 1.511 0.652 1.00 . A A . 3 LEU N 1 1 24 3123 1 1 3 LEU O O -2.373 -0.752 0.609 1.00 . A A . 3 LEU O 1 1 24 3124 1 1 4 PRO C C -5.186 -1.429 0.203 1.00 . A A . 4 PRO C 1 1 24 3125 1 1 4 PRO CA C -5.064 -0.160 1.039 1.00 . A A . 4 PRO CA 1 1 24 3126 1 1 4 PRO CB C -6.354 0.651 0.907 1.00 . A A . 4 PRO CB 1 1 24 3127 1 1 4 PRO CD C -4.586 2.102 0.266 1.00 . A A . 4 PRO CD 1 1 24 3128 1 1 4 PRO CG C -5.918 2.070 0.955 1.00 . A A . 4 PRO CG 1 1 24 3129 1 1 4 PRO HA H -4.902 -0.420 2.074 1.00 . A A . 4 PRO HA 1 1 24 3130 1 1 4 PRO HB2 H -6.829 0.417 -0.037 1.00 . A A . 4 PRO HB2 1 1 24 3131 1 1 4 PRO HB3 H -7.018 0.412 1.720 1.00 . A A . 4 PRO HB3 1 1 24 3132 1 1 4 PRO HD2 H -4.713 2.259 -0.795 1.00 . A A . 4 PRO HD2 1 1 24 3133 1 1 4 PRO HD3 H -3.959 2.871 0.693 1.00 . A A . 4 PRO HD3 1 1 24 3134 1 1 4 PRO HG2 H -6.629 2.693 0.431 1.00 . A A . 4 PRO HG2 1 1 24 3135 1 1 4 PRO HG3 H -5.818 2.391 1.981 1.00 . A A . 4 PRO HG3 1 1 24 3136 1 1 4 PRO N N -4.036 0.760 0.542 1.00 . A A . 4 PRO N 1 1 24 3137 1 1 4 PRO O O -5.846 -2.384 0.613 1.00 . A A . 4 PRO O 1 1 24 3138 1 1 5 TRP C C -3.507 -2.717 -2.817 1.00 . A A . 5 TRP C 1 1 24 3139 1 1 5 TRP CA C -4.706 -2.577 -1.876 1.00 . A A . 5 TRP CA 1 1 24 3140 1 1 5 TRP CB C -5.991 -2.437 -2.701 1.00 . A A . 5 TRP CB 1 1 24 3141 1 1 5 TRP CD1 C -7.561 -0.415 -2.449 1.00 . A A . 5 TRP CD1 1 1 24 3142 1 1 5 TRP CD2 C -5.658 0.025 -3.535 1.00 . A A . 5 TRP CD2 1 1 24 3143 1 1 5 TRP CE2 C -6.413 1.208 -3.467 1.00 . A A . 5 TRP CE2 1 1 24 3144 1 1 5 TRP CE3 C -4.421 0.057 -4.172 1.00 . A A . 5 TRP CE3 1 1 24 3145 1 1 5 TRP CG C -6.408 -1.004 -2.884 1.00 . A A . 5 TRP CG 1 1 24 3146 1 1 5 TRP CH2 C -4.750 2.412 -4.631 1.00 . A A . 5 TRP CH2 1 1 24 3147 1 1 5 TRP CZ2 C -5.969 2.410 -4.011 1.00 . A A . 5 TRP CZ2 1 1 24 3148 1 1 5 TRP CZ3 C -3.977 1.249 -4.714 1.00 . A A . 5 TRP CZ3 1 1 24 3149 1 1 5 TRP H H -4.112 -0.631 -1.292 1.00 . A A . 5 TRP H 1 1 24 3150 1 1 5 TRP HA H -4.780 -3.464 -1.266 1.00 . A A . 5 TRP HA 1 1 24 3151 1 1 5 TRP HB2 H -5.836 -2.870 -3.678 1.00 . A A . 5 TRP HB2 1 1 24 3152 1 1 5 TRP HB3 H -6.793 -2.959 -2.201 1.00 . A A . 5 TRP HB3 1 1 24 3153 1 1 5 TRP HD1 H -8.343 -0.931 -1.912 1.00 . A A . 5 TRP HD1 1 1 24 3154 1 1 5 TRP HE1 H -8.281 1.554 -2.599 1.00 . A A . 5 TRP HE1 1 1 24 3155 1 1 5 TRP HE3 H -3.814 -0.826 -4.241 1.00 . A A . 5 TRP HE3 1 1 24 3156 1 1 5 TRP HH2 H -4.366 3.322 -5.068 1.00 . A A . 5 TRP HH2 1 1 24 3157 1 1 5 TRP HZ2 H -6.556 3.316 -3.954 1.00 . A A . 5 TRP HZ2 1 1 24 3158 1 1 5 TRP HZ3 H -3.019 1.289 -5.211 1.00 . A A . 5 TRP HZ3 1 1 24 3159 1 1 5 TRP N N -4.595 -1.427 -0.989 1.00 . A A . 5 TRP N 1 1 24 3160 1 1 5 TRP NE1 N -7.568 0.917 -2.797 1.00 . A A . 5 TRP NE1 1 1 24 3161 1 1 5 TRP O O -3.602 -3.400 -3.837 1.00 . A A . 5 TRP O 1 1 24 3162 1 1 6 SER C C 0.090 -1.807 -2.638 1.00 . A A . 6 SER C 1 1 24 3163 1 1 6 SER CA C -1.206 -2.169 -3.361 1.00 . A A . 6 SER CA 1 1 24 3164 1 1 6 SER CB C -1.379 -1.267 -4.583 1.00 . A A . 6 SER CB 1 1 24 3165 1 1 6 SER H H -2.346 -1.538 -1.675 1.00 . A A . 6 SER H 1 1 24 3166 1 1 6 SER HA H -1.132 -3.191 -3.697 1.00 . A A . 6 SER HA 1 1 24 3167 1 1 6 SER HB2 H -1.953 -0.397 -4.306 1.00 . A A . 6 SER HB2 1 1 24 3168 1 1 6 SER HB3 H -0.407 -0.959 -4.941 1.00 . A A . 6 SER HB3 1 1 24 3169 1 1 6 SER HG H -1.896 -1.496 -6.458 1.00 . A A . 6 SER HG 1 1 24 3170 1 1 6 SER N N -2.383 -2.077 -2.494 1.00 . A A . 6 SER N 1 1 24 3171 1 1 6 SER O O 1.072 -1.424 -3.273 1.00 . A A . 6 SER O 1 1 24 3172 1 1 6 SER OG O -2.056 -1.947 -5.626 1.00 . A A . 6 SER OG 1 1 24 3173 1 1 7 ASP C C 1.138 -2.127 0.901 1.00 . A A . 7 ASP C 1 1 24 3174 1 1 7 ASP CA C 1.294 -1.640 -0.536 1.00 . A A . 7 ASP CA 1 1 24 3175 1 1 7 ASP CB C 1.601 -0.140 -0.558 1.00 . A A . 7 ASP CB 1 1 24 3176 1 1 7 ASP CG C 2.770 0.197 -1.462 1.00 . A A . 7 ASP CG 1 1 24 3177 1 1 7 ASP H H -0.705 -2.263 -0.863 1.00 . A A . 7 ASP H 1 1 24 3178 1 1 7 ASP HA H 2.118 -2.165 -0.990 1.00 . A A . 7 ASP HA 1 1 24 3179 1 1 7 ASP HB2 H 0.736 0.395 -0.909 1.00 . A A . 7 ASP HB2 1 1 24 3180 1 1 7 ASP HB3 H 1.840 0.188 0.444 1.00 . A A . 7 ASP HB3 1 1 24 3181 1 1 7 ASP N N 0.100 -1.942 -1.319 1.00 . A A . 7 ASP N 1 1 24 3182 1 1 7 ASP O O 0.638 -1.405 1.762 1.00 . A A . 7 ASP O 1 1 24 3183 1 1 7 ASP OD1 O 3.922 -0.094 -1.077 1.00 . A A . 7 ASP OD1 1 1 24 3184 1 1 7 ASP OD2 O 2.534 0.754 -2.555 1.00 . A A . 7 ASP OD2 1 1 24 3185 1 1 8 GLY C C 2.592 -3.496 3.392 1.00 . A A . 8 GLY C 1 1 24 3186 1 1 8 GLY CA C 1.461 -3.932 2.479 1.00 . A A . 8 GLY CA 1 1 24 3187 1 1 8 GLY H H 1.949 -3.892 0.419 1.00 . A A . 8 GLY H 1 1 24 3188 1 1 8 GLY HA2 H 0.522 -3.627 2.916 1.00 . A A . 8 GLY HA2 1 1 24 3189 1 1 8 GLY HA3 H 1.474 -5.009 2.398 1.00 . A A . 8 GLY HA3 1 1 24 3190 1 1 8 GLY N N 1.564 -3.362 1.148 1.00 . A A . 8 GLY N 1 1 24 3191 1 1 8 GLY O O 2.360 -2.783 4.369 1.00 . A A . 8 GLY O 1 1 24 3192 1 1 9 PRO C C 5.222 -2.042 3.971 1.00 . A A . 9 PRO C 1 1 24 3193 1 1 9 PRO CA C 5.001 -3.549 3.916 1.00 . A A . 9 PRO CA 1 1 24 3194 1 1 9 PRO CB C 6.175 -4.237 3.207 1.00 . A A . 9 PRO CB 1 1 24 3195 1 1 9 PRO CD C 4.208 -4.761 1.958 1.00 . A A . 9 PRO CD 1 1 24 3196 1 1 9 PRO CG C 5.685 -4.523 1.828 1.00 . A A . 9 PRO CG 1 1 24 3197 1 1 9 PRO HA H 4.911 -3.933 4.921 1.00 . A A . 9 PRO HA 1 1 24 3198 1 1 9 PRO HB2 H 7.027 -3.574 3.192 1.00 . A A . 9 PRO HB2 1 1 24 3199 1 1 9 PRO HB3 H 6.430 -5.147 3.730 1.00 . A A . 9 PRO HB3 1 1 24 3200 1 1 9 PRO HD2 H 3.696 -4.451 1.060 1.00 . A A . 9 PRO HD2 1 1 24 3201 1 1 9 PRO HD3 H 4.009 -5.801 2.170 1.00 . A A . 9 PRO HD3 1 1 24 3202 1 1 9 PRO HG2 H 5.874 -3.675 1.188 1.00 . A A . 9 PRO HG2 1 1 24 3203 1 1 9 PRO HG3 H 6.174 -5.404 1.440 1.00 . A A . 9 PRO HG3 1 1 24 3204 1 1 9 PRO N N 3.837 -3.911 3.100 1.00 . A A . 9 PRO N 1 1 24 3205 1 1 9 PRO O O 5.274 -1.374 2.939 1.00 . A A . 9 PRO O 1 1 24 3206 1 1 10 CYS C C 6.252 0.188 6.711 1.00 . A A . 10 CYS C 1 1 24 3207 1 1 10 CYS CA C 5.566 -0.084 5.376 1.00 . A A . 10 CYS CA 1 1 24 3208 1 1 10 CYS CB C 4.233 0.665 5.312 1.00 . A A . 10 CYS CB 1 1 24 3209 1 1 10 CYS H H 5.300 -2.098 5.969 1.00 . A A . 10 CYS H 1 1 24 3210 1 1 10 CYS HA H 6.204 0.266 4.579 1.00 . A A . 10 CYS HA 1 1 24 3211 1 1 10 CYS HB2 H 3.488 0.105 5.857 1.00 . A A . 10 CYS HB2 1 1 24 3212 1 1 10 CYS HB3 H 4.352 1.636 5.770 1.00 . A A . 10 CYS HB3 1 1 24 3213 1 1 10 CYS N N 5.351 -1.513 5.184 1.00 . A A . 10 CYS N 1 1 24 3214 1 1 10 CYS O O 6.768 1.311 6.893 1.00 . A A . 10 CYS O 1 1 24 3215 1 1 10 CYS OXT O 6.268 -0.724 7.564 1.00 . A A . 10 CYS OXT 1 1 24 3216 1 1 10 CYS SG S 3.607 0.921 3.620 1.00 . A A . 10 CYS SG 1 1 25 3217 1 1 1 ALA C C 2.068 3.440 2.638 1.00 . A A . 1 ALA C 1 1 25 3218 1 1 1 ALA CA C 2.450 4.559 3.601 1.00 . A A . 1 ALA CA 1 1 25 3219 1 1 1 ALA CB C 1.372 4.732 4.661 1.00 . A A . 1 ALA CB 1 1 25 3220 1 1 1 ALA H1 H 1.856 5.984 2.241 1.00 . A A . 1 ALA H1 1 1 25 3221 1 1 1 ALA H2 H 3.553 5.747 2.336 1.00 . A A . 1 ALA H2 1 1 25 3222 1 1 1 ALA H3 H 2.733 6.596 3.581 1.00 . A A . 1 ALA H3 1 1 25 3223 1 1 1 ALA HA H 3.370 4.290 4.100 1.00 . A A . 1 ALA HA 1 1 25 3224 1 1 1 ALA HB1 H 0.577 5.349 4.269 1.00 . A A . 1 ALA HB1 1 1 25 3225 1 1 1 ALA HB2 H 1.798 5.205 5.533 1.00 . A A . 1 ALA HB2 1 1 25 3226 1 1 1 ALA HB3 H 0.976 3.765 4.933 1.00 . A A . 1 ALA HB3 1 1 25 3227 1 1 1 ALA N N 2.667 5.836 2.875 1.00 . A A . 1 ALA N 1 1 25 3228 1 1 1 ALA O O 2.024 3.643 1.424 1.00 . A A . 1 ALA O 1 1 25 3229 1 1 2 CYS C C 0.518 1.455 1.237 1.00 . A A . 2 CYS C 1 1 25 3230 1 1 2 CYS CA C 1.436 1.086 2.404 1.00 . A A . 2 CYS CA 1 1 25 3231 1 1 2 CYS CB C 0.753 0.031 3.285 1.00 . A A . 2 CYS CB 1 1 25 3232 1 1 2 CYS H H 1.873 2.158 4.157 1.00 . A A . 2 CYS H 1 1 25 3233 1 1 2 CYS HA H 2.345 0.664 2.003 1.00 . A A . 2 CYS HA 1 1 25 3234 1 1 2 CYS HB2 H -0.224 -0.189 2.886 1.00 . A A . 2 CYS HB2 1 1 25 3235 1 1 2 CYS HB3 H 1.353 -0.857 3.256 1.00 . A A . 2 CYS HB3 1 1 25 3236 1 1 2 CYS N N 1.805 2.255 3.191 1.00 . A A . 2 CYS N 1 1 25 3237 1 1 2 CYS O O -0.152 2.488 1.261 1.00 . A A . 2 CYS O 1 1 25 3238 1 1 2 CYS SG S 0.539 0.471 5.046 1.00 . A A . 2 CYS SG 1 1 25 3239 1 1 3 LEU C C -1.802 0.939 -0.598 1.00 . A A . 3 LEU C 1 1 25 3240 1 1 3 LEU CA C -0.322 0.833 -0.964 1.00 . A A . 3 LEU CA 1 1 25 3241 1 1 3 LEU CB C -0.117 -0.293 -1.978 1.00 . A A . 3 LEU CB 1 1 25 3242 1 1 3 LEU CD1 C 1.340 -1.439 -3.665 1.00 . A A . 3 LEU CD1 1 1 25 3243 1 1 3 LEU CD2 C 1.710 0.976 -3.133 1.00 . A A . 3 LEU CD2 1 1 25 3244 1 1 3 LEU CG C 1.287 -0.377 -2.579 1.00 . A A . 3 LEU CG 1 1 25 3245 1 1 3 LEU H H 1.062 -0.201 0.259 1.00 . A A . 3 LEU H 1 1 25 3246 1 1 3 LEU HA H -0.006 1.764 -1.408 1.00 . A A . 3 LEU HA 1 1 25 3247 1 1 3 LEU HB2 H -0.332 -1.231 -1.488 1.00 . A A . 3 LEU HB2 1 1 25 3248 1 1 3 LEU HB3 H -0.822 -0.157 -2.784 1.00 . A A . 3 LEU HB3 1 1 25 3249 1 1 3 LEU HD11 H 1.101 -0.991 -4.619 1.00 . A A . 3 LEU HD11 1 1 25 3250 1 1 3 LEU HD12 H 0.623 -2.216 -3.444 1.00 . A A . 3 LEU HD12 1 1 25 3251 1 1 3 LEU HD13 H 2.332 -1.864 -3.706 1.00 . A A . 3 LEU HD13 1 1 25 3252 1 1 3 LEU HD21 H 2.336 0.830 -4.000 1.00 . A A . 3 LEU HD21 1 1 25 3253 1 1 3 LEU HD22 H 2.260 1.517 -2.378 1.00 . A A . 3 LEU HD22 1 1 25 3254 1 1 3 LEU HD23 H 0.833 1.540 -3.413 1.00 . A A . 3 LEU HD23 1 1 25 3255 1 1 3 LEU HG H 1.987 -0.656 -1.805 1.00 . A A . 3 LEU HG 1 1 25 3256 1 1 3 LEU N N 0.502 0.603 0.218 1.00 . A A . 3 LEU N 1 1 25 3257 1 1 3 LEU O O -2.264 0.302 0.348 1.00 . A A . 3 LEU O 1 1 25 3258 1 1 4 PRO C C -4.796 0.646 -1.207 1.00 . A A . 4 PRO C 1 1 25 3259 1 1 4 PRO CA C -4.002 1.945 -1.106 1.00 . A A . 4 PRO CA 1 1 25 3260 1 1 4 PRO CB C -4.434 2.910 -2.216 1.00 . A A . 4 PRO CB 1 1 25 3261 1 1 4 PRO CD C -2.094 2.549 -2.496 1.00 . A A . 4 PRO CD 1 1 25 3262 1 1 4 PRO CG C -3.179 3.572 -2.666 1.00 . A A . 4 PRO CG 1 1 25 3263 1 1 4 PRO HA H -4.180 2.398 -0.143 1.00 . A A . 4 PRO HA 1 1 25 3264 1 1 4 PRO HB2 H -4.896 2.354 -3.019 1.00 . A A . 4 PRO HB2 1 1 25 3265 1 1 4 PRO HB3 H -5.136 3.627 -1.819 1.00 . A A . 4 PRO HB3 1 1 25 3266 1 1 4 PRO HD2 H -2.007 1.939 -3.384 1.00 . A A . 4 PRO HD2 1 1 25 3267 1 1 4 PRO HD3 H -1.154 3.030 -2.271 1.00 . A A . 4 PRO HD3 1 1 25 3268 1 1 4 PRO HG2 H -3.265 3.859 -3.704 1.00 . A A . 4 PRO HG2 1 1 25 3269 1 1 4 PRO HG3 H -2.978 4.437 -2.051 1.00 . A A . 4 PRO HG3 1 1 25 3270 1 1 4 PRO N N -2.567 1.752 -1.351 1.00 . A A . 4 PRO N 1 1 25 3271 1 1 4 PRO O O -5.551 0.297 -0.300 1.00 . A A . 4 PRO O 1 1 25 3272 1 1 5 TRP C C -4.469 -2.520 -2.173 1.00 . A A . 5 TRP C 1 1 25 3273 1 1 5 TRP CA C -5.338 -1.320 -2.541 1.00 . A A . 5 TRP CA 1 1 25 3274 1 1 5 TRP CB C -5.809 -1.439 -4.000 1.00 . A A . 5 TRP CB 1 1 25 3275 1 1 5 TRP CD1 C -5.546 0.474 -5.688 1.00 . A A . 5 TRP CD1 1 1 25 3276 1 1 5 TRP CD2 C -3.666 -0.677 -5.304 1.00 . A A . 5 TRP CD2 1 1 25 3277 1 1 5 TRP CE2 C -3.388 0.335 -6.242 1.00 . A A . 5 TRP CE2 1 1 25 3278 1 1 5 TRP CE3 C -2.633 -1.529 -4.908 1.00 . A A . 5 TRP CE3 1 1 25 3279 1 1 5 TRP CG C -5.052 -0.572 -4.963 1.00 . A A . 5 TRP CG 1 1 25 3280 1 1 5 TRP CH2 C -1.127 -0.333 -6.381 1.00 . A A . 5 TRP CH2 1 1 25 3281 1 1 5 TRP CZ2 C -2.119 0.517 -6.788 1.00 . A A . 5 TRP CZ2 1 1 25 3282 1 1 5 TRP CZ3 C -1.375 -1.349 -5.450 1.00 . A A . 5 TRP CZ3 1 1 25 3283 1 1 5 TRP H H -4.014 0.271 -3.008 1.00 . A A . 5 TRP H 1 1 25 3284 1 1 5 TRP HA H -6.205 -1.318 -1.898 1.00 . A A . 5 TRP HA 1 1 25 3285 1 1 5 TRP HB2 H -5.699 -2.463 -4.322 1.00 . A A . 5 TRP HB2 1 1 25 3286 1 1 5 TRP HB3 H -6.852 -1.163 -4.054 1.00 . A A . 5 TRP HB3 1 1 25 3287 1 1 5 TRP HD1 H -6.572 0.809 -5.651 1.00 . A A . 5 TRP HD1 1 1 25 3288 1 1 5 TRP HE1 H -4.656 1.787 -7.066 1.00 . A A . 5 TRP HE1 1 1 25 3289 1 1 5 TRP HE3 H -2.806 -2.316 -4.191 1.00 . A A . 5 TRP HE3 1 1 25 3290 1 1 5 TRP HH2 H -0.129 -0.229 -6.779 1.00 . A A . 5 TRP HH2 1 1 25 3291 1 1 5 TRP HZ2 H -1.912 1.296 -7.506 1.00 . A A . 5 TRP HZ2 1 1 25 3292 1 1 5 TRP HZ3 H -0.565 -2.000 -5.156 1.00 . A A . 5 TRP HZ3 1 1 25 3293 1 1 5 TRP N N -4.626 -0.062 -2.320 1.00 . A A . 5 TRP N 1 1 25 3294 1 1 5 TRP NE1 N -4.551 1.025 -6.459 1.00 . A A . 5 TRP NE1 1 1 25 3295 1 1 5 TRP O O -4.659 -3.619 -2.694 1.00 . A A . 5 TRP O 1 1 25 3296 1 1 6 SER C C -1.920 -2.928 0.462 1.00 . A A . 6 SER C 1 1 25 3297 1 1 6 SER CA C -2.630 -3.360 -0.819 1.00 . A A . 6 SER CA 1 1 25 3298 1 1 6 SER CB C -1.622 -3.704 -1.921 1.00 . A A . 6 SER CB 1 1 25 3299 1 1 6 SER H H -3.419 -1.411 -0.882 1.00 . A A . 6 SER H 1 1 25 3300 1 1 6 SER HA H -3.228 -4.232 -0.604 1.00 . A A . 6 SER HA 1 1 25 3301 1 1 6 SER HB2 H -2.083 -3.560 -2.886 1.00 . A A . 6 SER HB2 1 1 25 3302 1 1 6 SER HB3 H -0.762 -3.058 -1.834 1.00 . A A . 6 SER HB3 1 1 25 3303 1 1 6 SER HG H -1.494 -5.542 -2.585 1.00 . A A . 6 SER HG 1 1 25 3304 1 1 6 SER N N -3.521 -2.304 -1.266 1.00 . A A . 6 SER N 1 1 25 3305 1 1 6 SER O O -2.504 -2.239 1.299 1.00 . A A . 6 SER O 1 1 25 3306 1 1 6 SER OG O -1.194 -5.051 -1.818 1.00 . A A . 6 SER OG 1 1 25 3307 1 1 7 ASP C C 1.606 -3.059 1.528 1.00 . A A . 7 ASP C 1 1 25 3308 1 1 7 ASP CA C 0.106 -2.968 1.798 1.00 . A A . 7 ASP CA 1 1 25 3309 1 1 7 ASP CB C -0.275 -3.860 2.987 1.00 . A A . 7 ASP CB 1 1 25 3310 1 1 7 ASP CG C -0.753 -5.237 2.564 1.00 . A A . 7 ASP CG 1 1 25 3311 1 1 7 ASP H H -0.254 -3.869 -0.083 1.00 . A A . 7 ASP H 1 1 25 3312 1 1 7 ASP HA H -0.134 -1.944 2.042 1.00 . A A . 7 ASP HA 1 1 25 3313 1 1 7 ASP HB2 H 0.587 -3.982 3.626 1.00 . A A . 7 ASP HB2 1 1 25 3314 1 1 7 ASP HB3 H -1.065 -3.382 3.547 1.00 . A A . 7 ASP HB3 1 1 25 3315 1 1 7 ASP N N -0.667 -3.327 0.614 1.00 . A A . 7 ASP N 1 1 25 3316 1 1 7 ASP O O 2.251 -2.053 1.230 1.00 . A A . 7 ASP O 1 1 25 3317 1 1 7 ASP OD1 O -0.195 -5.786 1.590 1.00 . A A . 7 ASP OD1 1 1 25 3318 1 1 7 ASP OD2 O -1.684 -5.766 3.206 1.00 . A A . 7 ASP OD2 1 1 25 3319 1 1 8 GLY C C 4.430 -3.557 2.295 1.00 . A A . 8 GLY C 1 1 25 3320 1 1 8 GLY CA C 3.580 -4.449 1.405 1.00 . A A . 8 GLY CA 1 1 25 3321 1 1 8 GLY H H 1.601 -5.031 1.880 1.00 . A A . 8 GLY H 1 1 25 3322 1 1 8 GLY HA2 H 3.833 -5.481 1.601 1.00 . A A . 8 GLY HA2 1 1 25 3323 1 1 8 GLY HA3 H 3.797 -4.227 0.372 1.00 . A A . 8 GLY HA3 1 1 25 3324 1 1 8 GLY N N 2.159 -4.264 1.637 1.00 . A A . 8 GLY N 1 1 25 3325 1 1 8 GLY O O 4.412 -3.705 3.517 1.00 . A A . 8 GLY O 1 1 25 3326 1 1 9 PRO C C 5.253 -0.533 3.066 1.00 . A A . 9 PRO C 1 1 25 3327 1 1 9 PRO CA C 6.039 -1.701 2.478 1.00 . A A . 9 PRO CA 1 1 25 3328 1 1 9 PRO CB C 7.032 -1.206 1.431 1.00 . A A . 9 PRO CB 1 1 25 3329 1 1 9 PRO CD C 5.278 -2.354 0.260 1.00 . A A . 9 PRO CD 1 1 25 3330 1 1 9 PRO CG C 6.263 -1.216 0.155 1.00 . A A . 9 PRO CG 1 1 25 3331 1 1 9 PRO HA H 6.566 -2.217 3.267 1.00 . A A . 9 PRO HA 1 1 25 3332 1 1 9 PRO HB2 H 7.363 -0.210 1.688 1.00 . A A . 9 PRO HB2 1 1 25 3333 1 1 9 PRO HB3 H 7.879 -1.874 1.387 1.00 . A A . 9 PRO HB3 1 1 25 3334 1 1 9 PRO HD2 H 4.319 -2.058 -0.138 1.00 . A A . 9 PRO HD2 1 1 25 3335 1 1 9 PRO HD3 H 5.651 -3.223 -0.262 1.00 . A A . 9 PRO HD3 1 1 25 3336 1 1 9 PRO HG2 H 5.740 -0.279 0.035 1.00 . A A . 9 PRO HG2 1 1 25 3337 1 1 9 PRO HG3 H 6.934 -1.379 -0.675 1.00 . A A . 9 PRO HG3 1 1 25 3338 1 1 9 PRO N N 5.188 -2.612 1.711 1.00 . A A . 9 PRO N 1 1 25 3339 1 1 9 PRO O O 5.203 0.549 2.481 1.00 . A A . 9 PRO O 1 1 25 3340 1 1 10 CYS C C 4.713 1.513 5.168 1.00 . A A . 10 CYS C 1 1 25 3341 1 1 10 CYS CA C 3.857 0.281 4.887 1.00 . A A . 10 CYS CA 1 1 25 3342 1 1 10 CYS CB C 3.262 -0.249 6.194 1.00 . A A . 10 CYS CB 1 1 25 3343 1 1 10 CYS H H 4.715 -1.640 4.643 1.00 . A A . 10 CYS H 1 1 25 3344 1 1 10 CYS HA H 3.054 0.561 4.224 1.00 . A A . 10 CYS HA 1 1 25 3345 1 1 10 CYS HB2 H 3.908 -1.020 6.587 1.00 . A A . 10 CYS HB2 1 1 25 3346 1 1 10 CYS HB3 H 3.203 0.561 6.908 1.00 . A A . 10 CYS HB3 1 1 25 3347 1 1 10 CYS N N 4.640 -0.757 4.225 1.00 . A A . 10 CYS N 1 1 25 3348 1 1 10 CYS O O 5.392 1.533 6.216 1.00 . A A . 10 CYS O 1 1 25 3349 1 1 10 CYS OXT O 4.696 2.446 4.338 1.00 . A A . 10 CYS OXT 1 1 25 3350 1 1 10 CYS SG S 1.592 -0.962 6.025 1.00 . A A . 10 CYS SG 1 1 26 3351 1 1 1 ALA C C 2.173 2.927 1.757 1.00 . A A . 1 ALA C 1 1 26 3352 1 1 1 ALA CA C 3.370 3.854 1.939 1.00 . A A . 1 ALA CA 1 1 26 3353 1 1 1 ALA CB C 2.907 5.225 2.411 1.00 . A A . 1 ALA CB 1 1 26 3354 1 1 1 ALA H1 H 4.894 4.686 0.834 1.00 . A A . 1 ALA H1 1 1 26 3355 1 1 1 ALA H2 H 3.491 4.284 -0.070 1.00 . A A . 1 ALA H2 1 1 26 3356 1 1 1 ALA H3 H 4.555 3.048 0.463 1.00 . A A . 1 ALA H3 1 1 26 3357 1 1 1 ALA HA H 4.019 3.441 2.698 1.00 . A A . 1 ALA HA 1 1 26 3358 1 1 1 ALA HB1 H 3.742 5.909 2.405 1.00 . A A . 1 ALA HB1 1 1 26 3359 1 1 1 ALA HB2 H 2.512 5.146 3.413 1.00 . A A . 1 ALA HB2 1 1 26 3360 1 1 1 ALA HB3 H 2.136 5.592 1.749 1.00 . A A . 1 ALA HB3 1 1 26 3361 1 1 1 ALA N N 4.147 3.979 0.678 1.00 . A A . 1 ALA N 1 1 26 3362 1 1 1 ALA O O 1.517 2.947 0.715 1.00 . A A . 1 ALA O 1 1 26 3363 1 1 2 CYS C C -0.394 1.695 1.968 1.00 . A A . 2 CYS C 1 1 26 3364 1 1 2 CYS CA C 0.799 1.157 2.757 1.00 . A A . 2 CYS CA 1 1 26 3365 1 1 2 CYS CB C 0.356 0.812 4.187 1.00 . A A . 2 CYS CB 1 1 26 3366 1 1 2 CYS H H 2.475 2.137 3.567 1.00 . A A . 2 CYS H 1 1 26 3367 1 1 2 CYS HA H 1.151 0.257 2.279 1.00 . A A . 2 CYS HA 1 1 26 3368 1 1 2 CYS HB2 H -0.691 1.039 4.301 1.00 . A A . 2 CYS HB2 1 1 26 3369 1 1 2 CYS HB3 H 0.507 -0.241 4.330 1.00 . A A . 2 CYS HB3 1 1 26 3370 1 1 2 CYS N N 1.905 2.109 2.777 1.00 . A A . 2 CYS N 1 1 26 3371 1 1 2 CYS O O -1.093 2.600 2.421 1.00 . A A . 2 CYS O 1 1 26 3372 1 1 2 CYS SG S 1.254 1.668 5.530 1.00 . A A . 2 CYS SG 1 1 26 3373 1 1 3 LEU C C -2.927 0.630 0.078 1.00 . A A . 3 LEU C 1 1 26 3374 1 1 3 LEU CA C -1.724 1.562 -0.067 1.00 . A A . 3 LEU CA 1 1 26 3375 1 1 3 LEU CB C -1.281 1.616 -1.530 1.00 . A A . 3 LEU CB 1 1 26 3376 1 1 3 LEU CD1 C 0.143 2.676 -3.301 1.00 . A A . 3 LEU CD1 1 1 26 3377 1 1 3 LEU CD2 C -1.298 4.102 -1.834 1.00 . A A . 3 LEU CD2 1 1 26 3378 1 1 3 LEU CG C -0.449 2.842 -1.910 1.00 . A A . 3 LEU CG 1 1 26 3379 1 1 3 LEU H H -0.023 0.415 0.473 1.00 . A A . 3 LEU H 1 1 26 3380 1 1 3 LEU HA H -2.013 2.553 0.247 1.00 . A A . 3 LEU HA 1 1 26 3381 1 1 3 LEU HB2 H -0.697 0.732 -1.740 1.00 . A A . 3 LEU HB2 1 1 26 3382 1 1 3 LEU HB3 H -2.163 1.601 -2.153 1.00 . A A . 3 LEU HB3 1 1 26 3383 1 1 3 LEU HD11 H 1.093 2.167 -3.230 1.00 . A A . 3 LEU HD11 1 1 26 3384 1 1 3 LEU HD12 H 0.288 3.647 -3.750 1.00 . A A . 3 LEU HD12 1 1 26 3385 1 1 3 LEU HD13 H -0.532 2.095 -3.913 1.00 . A A . 3 LEU HD13 1 1 26 3386 1 1 3 LEU HD21 H -2.127 3.938 -1.162 1.00 . A A . 3 LEU HD21 1 1 26 3387 1 1 3 LEU HD22 H -1.675 4.342 -2.817 1.00 . A A . 3 LEU HD22 1 1 26 3388 1 1 3 LEU HD23 H -0.696 4.921 -1.469 1.00 . A A . 3 LEU HD23 1 1 26 3389 1 1 3 LEU HG H 0.367 2.946 -1.210 1.00 . A A . 3 LEU HG 1 1 26 3390 1 1 3 LEU N N -0.618 1.133 0.783 1.00 . A A . 3 LEU N 1 1 26 3391 1 1 3 LEU O O -2.768 -0.585 0.203 1.00 . A A . 3 LEU O 1 1 26 3392 1 1 4 PRO C C -5.442 -0.756 -0.803 1.00 . A A . 4 PRO C 1 1 26 3393 1 1 4 PRO CA C -5.383 0.399 0.189 1.00 . A A . 4 PRO CA 1 1 26 3394 1 1 4 PRO CB C -6.489 1.412 -0.113 1.00 . A A . 4 PRO CB 1 1 26 3395 1 1 4 PRO CD C -4.435 2.629 -0.088 1.00 . A A . 4 PRO CD 1 1 26 3396 1 1 4 PRO CG C -5.899 2.732 0.238 1.00 . A A . 4 PRO CG 1 1 26 3397 1 1 4 PRO HA H -5.505 0.018 1.193 1.00 . A A . 4 PRO HA 1 1 26 3398 1 1 4 PRO HB2 H -6.749 1.361 -1.161 1.00 . A A . 4 PRO HB2 1 1 26 3399 1 1 4 PRO HB3 H -7.356 1.193 0.490 1.00 . A A . 4 PRO HB3 1 1 26 3400 1 1 4 PRO HD2 H -4.251 2.956 -1.102 1.00 . A A . 4 PRO HD2 1 1 26 3401 1 1 4 PRO HD3 H -3.851 3.211 0.610 1.00 . A A . 4 PRO HD3 1 1 26 3402 1 1 4 PRO HG2 H -6.362 3.509 -0.351 1.00 . A A . 4 PRO HG2 1 1 26 3403 1 1 4 PRO HG3 H -6.035 2.926 1.292 1.00 . A A . 4 PRO HG3 1 1 26 3404 1 1 4 PRO N N -4.152 1.188 0.060 1.00 . A A . 4 PRO N 1 1 26 3405 1 1 4 PRO O O -5.955 -1.831 -0.491 1.00 . A A . 4 PRO O 1 1 26 3406 1 1 5 TRP C C -3.561 -2.273 -3.083 1.00 . A A . 5 TRP C 1 1 26 3407 1 1 5 TRP CA C -4.906 -1.554 -3.040 1.00 . A A . 5 TRP CA 1 1 26 3408 1 1 5 TRP CB C -5.220 -0.949 -4.419 1.00 . A A . 5 TRP CB 1 1 26 3409 1 1 5 TRP CD1 C -4.518 1.485 -4.813 1.00 . A A . 5 TRP CD1 1 1 26 3410 1 1 5 TRP CD2 C -6.577 1.249 -3.964 1.00 . A A . 5 TRP CD2 1 1 26 3411 1 1 5 TRP CE2 C -6.315 2.622 -4.133 1.00 . A A . 5 TRP CE2 1 1 26 3412 1 1 5 TRP CE3 C -7.815 0.859 -3.444 1.00 . A A . 5 TRP CE3 1 1 26 3413 1 1 5 TRP CG C -5.415 0.539 -4.407 1.00 . A A . 5 TRP CG 1 1 26 3414 1 1 5 TRP CH2 C -8.447 3.193 -3.293 1.00 . A A . 5 TRP CH2 1 1 26 3415 1 1 5 TRP CZ2 C -7.244 3.604 -3.799 1.00 . A A . 5 TRP CZ2 1 1 26 3416 1 1 5 TRP CZ3 C -8.736 1.835 -3.113 1.00 . A A . 5 TRP CZ3 1 1 26 3417 1 1 5 TRP H H -4.517 0.348 -2.187 1.00 . A A . 5 TRP H 1 1 26 3418 1 1 5 TRP HA H -5.672 -2.273 -2.793 1.00 . A A . 5 TRP HA 1 1 26 3419 1 1 5 TRP HB2 H -4.407 -1.169 -5.094 1.00 . A A . 5 TRP HB2 1 1 26 3420 1 1 5 TRP HB3 H -6.125 -1.399 -4.800 1.00 . A A . 5 TRP HB3 1 1 26 3421 1 1 5 TRP HD1 H -3.535 1.264 -5.201 1.00 . A A . 5 TRP HD1 1 1 26 3422 1 1 5 TRP HE1 H -4.602 3.582 -4.873 1.00 . A A . 5 TRP HE1 1 1 26 3423 1 1 5 TRP HE3 H -8.055 -0.184 -3.298 1.00 . A A . 5 TRP HE3 1 1 26 3424 1 1 5 TRP HH2 H -9.196 3.921 -3.020 1.00 . A A . 5 TRP HH2 1 1 26 3425 1 1 5 TRP HZ2 H -7.037 4.655 -3.932 1.00 . A A . 5 TRP HZ2 1 1 26 3426 1 1 5 TRP HZ3 H -9.697 1.552 -2.709 1.00 . A A . 5 TRP HZ3 1 1 26 3427 1 1 5 TRP N N -4.913 -0.528 -2.000 1.00 . A A . 5 TRP N 1 1 26 3428 1 1 5 TRP NE1 N -5.052 2.740 -4.652 1.00 . A A . 5 TRP NE1 1 1 26 3429 1 1 5 TRP O O -3.465 -3.401 -3.566 1.00 . A A . 5 TRP O 1 1 26 3430 1 1 6 SER C C -0.477 -1.837 -1.247 1.00 . A A . 6 SER C 1 1 26 3431 1 1 6 SER CA C -1.188 -2.192 -2.547 1.00 . A A . 6 SER CA 1 1 26 3432 1 1 6 SER CB C -0.372 -1.695 -3.742 1.00 . A A . 6 SER CB 1 1 26 3433 1 1 6 SER H H -2.664 -0.720 -2.198 1.00 . A A . 6 SER H 1 1 26 3434 1 1 6 SER HA H -1.288 -3.265 -2.610 1.00 . A A . 6 SER HA 1 1 26 3435 1 1 6 SER HB2 H -0.727 -0.719 -4.037 1.00 . A A . 6 SER HB2 1 1 26 3436 1 1 6 SER HB3 H 0.669 -1.629 -3.461 1.00 . A A . 6 SER HB3 1 1 26 3437 1 1 6 SER HG H -0.247 -2.118 -5.650 1.00 . A A . 6 SER HG 1 1 26 3438 1 1 6 SER N N -2.526 -1.615 -2.571 1.00 . A A . 6 SER N 1 1 26 3439 1 1 6 SER O O 0.474 -1.056 -1.240 1.00 . A A . 6 SER O 1 1 26 3440 1 1 6 SER OG O -0.492 -2.578 -4.844 1.00 . A A . 6 SER OG 1 1 26 3441 1 1 7 ASP C C 1.156 -2.185 1.130 1.00 . A A . 7 ASP C 1 1 26 3442 1 1 7 ASP CA C -0.376 -2.153 1.173 1.00 . A A . 7 ASP CA 1 1 26 3443 1 1 7 ASP CB C -0.911 -3.157 2.206 1.00 . A A . 7 ASP CB 1 1 26 3444 1 1 7 ASP CG C -1.185 -4.529 1.615 1.00 . A A . 7 ASP CG 1 1 26 3445 1 1 7 ASP H H -1.719 -3.018 -0.219 1.00 . A A . 7 ASP H 1 1 26 3446 1 1 7 ASP HA H -0.683 -1.161 1.468 1.00 . A A . 7 ASP HA 1 1 26 3447 1 1 7 ASP HB2 H -0.186 -3.268 2.999 1.00 . A A . 7 ASP HB2 1 1 26 3448 1 1 7 ASP HB3 H -1.833 -2.775 2.622 1.00 . A A . 7 ASP HB3 1 1 26 3449 1 1 7 ASP N N -0.954 -2.411 -0.145 1.00 . A A . 7 ASP N 1 1 26 3450 1 1 7 ASP O O 1.790 -1.175 0.825 1.00 . A A . 7 ASP O 1 1 26 3451 1 1 7 ASP OD1 O -2.132 -4.650 0.810 1.00 . A A . 7 ASP OD1 1 1 26 3452 1 1 7 ASP OD2 O -0.453 -5.481 1.959 1.00 . A A . 7 ASP OD2 1 1 26 3453 1 1 8 GLY C C 3.821 -2.981 2.718 1.00 . A A . 8 GLY C 1 1 26 3454 1 1 8 GLY CA C 3.193 -3.456 1.421 1.00 . A A . 8 GLY CA 1 1 26 3455 1 1 8 GLY H H 1.201 -4.116 1.670 1.00 . A A . 8 GLY H 1 1 26 3456 1 1 8 GLY HA2 H 3.460 -4.490 1.261 1.00 . A A . 8 GLY HA2 1 1 26 3457 1 1 8 GLY HA3 H 3.585 -2.864 0.606 1.00 . A A . 8 GLY HA3 1 1 26 3458 1 1 8 GLY N N 1.747 -3.340 1.434 1.00 . A A . 8 GLY N 1 1 26 3459 1 1 8 GLY O O 3.131 -2.431 3.576 1.00 . A A . 8 GLY O 1 1 26 3460 1 1 9 PRO C C 5.899 -1.243 4.247 1.00 . A A . 9 PRO C 1 1 26 3461 1 1 9 PRO CA C 5.844 -2.761 4.107 1.00 . A A . 9 PRO CA 1 1 26 3462 1 1 9 PRO CB C 7.252 -3.335 3.920 1.00 . A A . 9 PRO CB 1 1 26 3463 1 1 9 PRO CD C 6.039 -3.828 1.922 1.00 . A A . 9 PRO CD 1 1 26 3464 1 1 9 PRO CG C 7.407 -3.495 2.447 1.00 . A A . 9 PRO CG 1 1 26 3465 1 1 9 PRO HA H 5.393 -3.186 4.992 1.00 . A A . 9 PRO HA 1 1 26 3466 1 1 9 PRO HB2 H 7.980 -2.645 4.322 1.00 . A A . 9 PRO HB2 1 1 26 3467 1 1 9 PRO HB3 H 7.327 -4.284 4.430 1.00 . A A . 9 PRO HB3 1 1 26 3468 1 1 9 PRO HD2 H 5.904 -3.415 0.933 1.00 . A A . 9 PRO HD2 1 1 26 3469 1 1 9 PRO HD3 H 5.889 -4.897 1.910 1.00 . A A . 9 PRO HD3 1 1 26 3470 1 1 9 PRO HG2 H 7.761 -2.572 2.013 1.00 . A A . 9 PRO HG2 1 1 26 3471 1 1 9 PRO HG3 H 8.096 -4.300 2.236 1.00 . A A . 9 PRO HG3 1 1 26 3472 1 1 9 PRO N N 5.138 -3.181 2.892 1.00 . A A . 9 PRO N 1 1 26 3473 1 1 9 PRO O O 6.617 -0.567 3.510 1.00 . A A . 9 PRO O 1 1 26 3474 1 1 10 CYS C C 6.470 1.243 5.853 1.00 . A A . 10 CYS C 1 1 26 3475 1 1 10 CYS CA C 5.098 0.726 5.435 1.00 . A A . 10 CYS CA 1 1 26 3476 1 1 10 CYS CB C 4.064 1.064 6.512 1.00 . A A . 10 CYS CB 1 1 26 3477 1 1 10 CYS H H 4.585 -1.304 5.753 1.00 . A A . 10 CYS H 1 1 26 3478 1 1 10 CYS HA H 4.812 1.206 4.510 1.00 . A A . 10 CYS HA 1 1 26 3479 1 1 10 CYS HB2 H 4.456 0.780 7.477 1.00 . A A . 10 CYS HB2 1 1 26 3480 1 1 10 CYS HB3 H 3.883 2.129 6.502 1.00 . A A . 10 CYS HB3 1 1 26 3481 1 1 10 CYS N N 5.135 -0.713 5.198 1.00 . A A . 10 CYS N 1 1 26 3482 1 1 10 CYS O O 6.779 2.414 5.547 1.00 . A A . 10 CYS O 1 1 26 3483 1 1 10 CYS OXT O 7.223 0.473 6.485 1.00 . A A . 10 CYS OXT 1 1 26 3484 1 1 10 CYS SG S 2.460 0.226 6.298 1.00 . A A . 10 CYS SG 1 1 27 3485 1 1 1 ALA C C 1.846 4.783 1.420 1.00 . A A . 1 ALA C 1 1 27 3486 1 1 1 ALA CA C 2.380 6.135 1.880 1.00 . A A . 1 ALA CA 1 1 27 3487 1 1 1 ALA CB C 2.587 7.054 0.686 1.00 . A A . 1 ALA CB 1 1 27 3488 1 1 1 ALA H1 H 4.125 6.903 2.652 1.00 . A A . 1 ALA H1 1 1 27 3489 1 1 1 ALA H2 H 4.227 5.268 2.140 1.00 . A A . 1 ALA H2 1 1 27 3490 1 1 1 ALA H3 H 3.410 5.664 3.597 1.00 . A A . 1 ALA H3 1 1 27 3491 1 1 1 ALA HA H 1.651 6.594 2.533 1.00 . A A . 1 ALA HA 1 1 27 3492 1 1 1 ALA HB1 H 1.933 6.752 -0.119 1.00 . A A . 1 ALA HB1 1 1 27 3493 1 1 1 ALA HB2 H 3.614 6.993 0.358 1.00 . A A . 1 ALA HB2 1 1 27 3494 1 1 1 ALA HB3 H 2.360 8.071 0.971 1.00 . A A . 1 ALA HB3 1 1 27 3495 1 1 1 ALA N N 3.650 5.978 2.635 1.00 . A A . 1 ALA N 1 1 27 3496 1 1 1 ALA O O 1.199 4.686 0.377 1.00 . A A . 1 ALA O 1 1 27 3497 1 1 2 CYS C C 0.308 2.369 1.261 1.00 . A A . 2 CYS C 1 1 27 3498 1 1 2 CYS CA C 1.701 2.384 1.892 1.00 . A A . 2 CYS CA 1 1 27 3499 1 1 2 CYS CB C 1.706 1.509 3.155 1.00 . A A . 2 CYS CB 1 1 27 3500 1 1 2 CYS H H 2.661 3.885 3.006 1.00 . A A . 2 CYS H 1 1 27 3501 1 1 2 CYS HA H 2.403 1.972 1.183 1.00 . A A . 2 CYS HA 1 1 27 3502 1 1 2 CYS HB2 H 0.723 1.093 3.306 1.00 . A A . 2 CYS HB2 1 1 27 3503 1 1 2 CYS HB3 H 2.405 0.711 2.996 1.00 . A A . 2 CYS HB3 1 1 27 3504 1 1 2 CYS N N 2.133 3.741 2.202 1.00 . A A . 2 CYS N 1 1 27 3505 1 1 2 CYS O O -0.548 3.185 1.603 1.00 . A A . 2 CYS O 1 1 27 3506 1 1 2 CYS SG S 2.195 2.344 4.706 1.00 . A A . 2 CYS SG 1 1 27 3507 1 1 3 LEU C C -2.081 0.284 0.325 1.00 . A A . 3 LEU C 1 1 27 3508 1 1 3 LEU CA C -1.187 1.323 -0.353 1.00 . A A . 3 LEU CA 1 1 27 3509 1 1 3 LEU CB C -0.961 0.938 -1.815 1.00 . A A . 3 LEU CB 1 1 27 3510 1 1 3 LEU CD1 C 0.885 2.610 -2.111 1.00 . A A . 3 LEU CD1 1 1 27 3511 1 1 3 LEU CD2 C -0.162 1.541 -4.113 1.00 . A A . 3 LEU CD2 1 1 27 3512 1 1 3 LEU CG C -0.401 2.053 -2.701 1.00 . A A . 3 LEU CG 1 1 27 3513 1 1 3 LEU H H 0.819 0.824 0.101 1.00 . A A . 3 LEU H 1 1 27 3514 1 1 3 LEU HA H -1.671 2.285 -0.315 1.00 . A A . 3 LEU HA 1 1 27 3515 1 1 3 LEU HB2 H -0.274 0.106 -1.842 1.00 . A A . 3 LEU HB2 1 1 27 3516 1 1 3 LEU HB3 H -1.905 0.618 -2.232 1.00 . A A . 3 LEU HB3 1 1 27 3517 1 1 3 LEU HD11 H 1.371 3.243 -2.839 1.00 . A A . 3 LEU HD11 1 1 27 3518 1 1 3 LEU HD12 H 1.543 1.794 -1.847 1.00 . A A . 3 LEU HD12 1 1 27 3519 1 1 3 LEU HD13 H 0.656 3.187 -1.228 1.00 . A A . 3 LEU HD13 1 1 27 3520 1 1 3 LEU HD21 H -1.014 0.960 -4.434 1.00 . A A . 3 LEU HD21 1 1 27 3521 1 1 3 LEU HD22 H 0.722 0.920 -4.126 1.00 . A A . 3 LEU HD22 1 1 27 3522 1 1 3 LEU HD23 H -0.024 2.377 -4.782 1.00 . A A . 3 LEU HD23 1 1 27 3523 1 1 3 LEU HG H -1.120 2.858 -2.753 1.00 . A A . 3 LEU HG 1 1 27 3524 1 1 3 LEU N N 0.095 1.441 0.334 1.00 . A A . 3 LEU N 1 1 27 3525 1 1 3 LEU O O -1.701 -0.880 0.454 1.00 . A A . 3 LEU O 1 1 27 3526 1 1 4 PRO C C -4.631 -1.397 0.539 1.00 . A A . 4 PRO C 1 1 27 3527 1 1 4 PRO CA C -4.233 -0.223 1.427 1.00 . A A . 4 PRO CA 1 1 27 3528 1 1 4 PRO CB C -5.455 0.660 1.707 1.00 . A A . 4 PRO CB 1 1 27 3529 1 1 4 PRO CD C -3.834 2.051 0.651 1.00 . A A . 4 PRO CD 1 1 27 3530 1 1 4 PRO CG C -4.941 2.056 1.664 1.00 . A A . 4 PRO CG 1 1 27 3531 1 1 4 PRO HA H -3.835 -0.597 2.359 1.00 . A A . 4 PRO HA 1 1 27 3532 1 1 4 PRO HB2 H -6.203 0.492 0.946 1.00 . A A . 4 PRO HB2 1 1 27 3533 1 1 4 PRO HB3 H -5.861 0.419 2.677 1.00 . A A . 4 PRO HB3 1 1 27 3534 1 1 4 PRO HD2 H -4.228 2.230 -0.339 1.00 . A A . 4 PRO HD2 1 1 27 3535 1 1 4 PRO HD3 H -3.088 2.788 0.904 1.00 . A A . 4 PRO HD3 1 1 27 3536 1 1 4 PRO HG2 H -5.728 2.729 1.358 1.00 . A A . 4 PRO HG2 1 1 27 3537 1 1 4 PRO HG3 H -4.560 2.339 2.634 1.00 . A A . 4 PRO HG3 1 1 27 3538 1 1 4 PRO N N -3.289 0.687 0.765 1.00 . A A . 4 PRO N 1 1 27 3539 1 1 4 PRO O O -5.022 -2.456 1.029 1.00 . A A . 4 PRO O 1 1 27 3540 1 1 5 TRP C C -3.651 -2.810 -2.415 1.00 . A A . 5 TRP C 1 1 27 3541 1 1 5 TRP CA C -4.892 -2.234 -1.734 1.00 . A A . 5 TRP CA 1 1 27 3542 1 1 5 TRP CB C -5.855 -1.677 -2.788 1.00 . A A . 5 TRP CB 1 1 27 3543 1 1 5 TRP CD1 C -4.609 0.460 -3.458 1.00 . A A . 5 TRP CD1 1 1 27 3544 1 1 5 TRP CD2 C -6.717 0.801 -2.788 1.00 . A A . 5 TRP CD2 1 1 27 3545 1 1 5 TRP CE2 C -6.149 2.043 -3.128 1.00 . A A . 5 TRP CE2 1 1 27 3546 1 1 5 TRP CE3 C -8.039 0.766 -2.337 1.00 . A A . 5 TRP CE3 1 1 27 3547 1 1 5 TRP CG C -5.717 -0.199 -3.011 1.00 . A A . 5 TRP CG 1 1 27 3548 1 1 5 TRP CH2 C -8.150 3.174 -2.586 1.00 . A A . 5 TRP CH2 1 1 27 3549 1 1 5 TRP CZ2 C -6.857 3.238 -3.030 1.00 . A A . 5 TRP CZ2 1 1 27 3550 1 1 5 TRP CZ3 C -8.741 1.953 -2.240 1.00 . A A . 5 TRP CZ3 1 1 27 3551 1 1 5 TRP H H -4.220 -0.329 -1.098 1.00 . A A . 5 TRP H 1 1 27 3552 1 1 5 TRP HA H -5.388 -3.027 -1.194 1.00 . A A . 5 TRP HA 1 1 27 3553 1 1 5 TRP HB2 H -5.673 -2.172 -3.730 1.00 . A A . 5 TRP HB2 1 1 27 3554 1 1 5 TRP HB3 H -6.871 -1.873 -2.476 1.00 . A A . 5 TRP HB3 1 1 27 3555 1 1 5 TRP HD1 H -3.678 -0.021 -3.713 1.00 . A A . 5 TRP HD1 1 1 27 3556 1 1 5 TRP HE1 H -4.224 2.491 -3.831 1.00 . A A . 5 TRP HE1 1 1 27 3557 1 1 5 TRP HE3 H -8.511 -0.166 -2.064 1.00 . A A . 5 TRP HE3 1 1 27 3558 1 1 5 TRP HH2 H -8.736 4.076 -2.493 1.00 . A A . 5 TRP HH2 1 1 27 3559 1 1 5 TRP HZ2 H -6.416 4.187 -3.294 1.00 . A A . 5 TRP HZ2 1 1 27 3560 1 1 5 TRP HZ3 H -9.764 1.945 -1.892 1.00 . A A . 5 TRP HZ3 1 1 27 3561 1 1 5 TRP N N -4.535 -1.197 -0.770 1.00 . A A . 5 TRP N 1 1 27 3562 1 1 5 TRP NE1 N -4.862 1.809 -3.534 1.00 . A A . 5 TRP NE1 1 1 27 3563 1 1 5 TRP O O -3.713 -3.869 -3.040 1.00 . A A . 5 TRP O 1 1 27 3564 1 1 6 SER C C -0.212 -2.743 -1.805 1.00 . A A . 6 SER C 1 1 27 3565 1 1 6 SER CA C -1.277 -2.558 -2.886 1.00 . A A . 6 SER CA 1 1 27 3566 1 1 6 SER CB C -0.820 -1.552 -3.948 1.00 . A A . 6 SER CB 1 1 27 3567 1 1 6 SER H H -2.534 -1.278 -1.776 1.00 . A A . 6 SER H 1 1 27 3568 1 1 6 SER HA H -1.455 -3.510 -3.360 1.00 . A A . 6 SER HA 1 1 27 3569 1 1 6 SER HB2 H -1.680 -1.026 -4.336 1.00 . A A . 6 SER HB2 1 1 27 3570 1 1 6 SER HB3 H -0.139 -0.844 -3.502 1.00 . A A . 6 SER HB3 1 1 27 3571 1 1 6 SER HG H 0.426 -2.878 -4.674 1.00 . A A . 6 SER HG 1 1 27 3572 1 1 6 SER N N -2.526 -2.112 -2.287 1.00 . A A . 6 SER N 1 1 27 3573 1 1 6 SER O O -0.524 -3.180 -0.699 1.00 . A A . 6 SER O 1 1 27 3574 1 1 6 SER OG O -0.163 -2.204 -5.021 1.00 . A A . 6 SER OG 1 1 27 3575 1 1 7 ASP C C 1.775 -2.056 0.203 1.00 . A A . 7 ASP C 1 1 27 3576 1 1 7 ASP CA C 2.154 -2.546 -1.192 1.00 . A A . 7 ASP CA 1 1 27 3577 1 1 7 ASP CB C 3.366 -1.767 -1.703 1.00 . A A . 7 ASP CB 1 1 27 3578 1 1 7 ASP CG C 3.046 -0.309 -1.968 1.00 . A A . 7 ASP CG 1 1 27 3579 1 1 7 ASP H H 1.217 -2.083 -3.026 1.00 . A A . 7 ASP H 1 1 27 3580 1 1 7 ASP HA H 2.412 -3.592 -1.133 1.00 . A A . 7 ASP HA 1 1 27 3581 1 1 7 ASP HB2 H 4.154 -1.815 -0.967 1.00 . A A . 7 ASP HB2 1 1 27 3582 1 1 7 ASP HB3 H 3.712 -2.214 -2.624 1.00 . A A . 7 ASP HB3 1 1 27 3583 1 1 7 ASP N N 1.038 -2.416 -2.130 1.00 . A A . 7 ASP N 1 1 27 3584 1 1 7 ASP O O 2.019 -0.903 0.559 1.00 . A A . 7 ASP O 1 1 27 3585 1 1 7 ASP OD1 O 2.509 -0.007 -3.054 1.00 . A A . 7 ASP OD1 1 1 27 3586 1 1 7 ASP OD2 O 3.334 0.531 -1.090 1.00 . A A . 7 ASP OD2 1 1 27 3587 1 1 8 GLY C C 1.920 -2.478 3.292 1.00 . A A . 8 GLY C 1 1 27 3588 1 1 8 GLY CA C 0.755 -2.602 2.328 1.00 . A A . 8 GLY CA 1 1 27 3589 1 1 8 GLY H H 1.001 -3.843 0.629 1.00 . A A . 8 GLY H 1 1 27 3590 1 1 8 GLY HA2 H 0.225 -1.661 2.299 1.00 . A A . 8 GLY HA2 1 1 27 3591 1 1 8 GLY HA3 H 0.084 -3.368 2.689 1.00 . A A . 8 GLY HA3 1 1 27 3592 1 1 8 GLY N N 1.171 -2.944 0.980 1.00 . A A . 8 GLY N 1 1 27 3593 1 1 8 GLY O O 2.169 -1.398 3.828 1.00 . A A . 8 GLY O 1 1 27 3594 1 1 9 PRO C C 4.747 -2.399 4.196 1.00 . A A . 9 PRO C 1 1 27 3595 1 1 9 PRO CA C 3.804 -3.570 4.454 1.00 . A A . 9 PRO CA 1 1 27 3596 1 1 9 PRO CB C 4.512 -4.907 4.173 1.00 . A A . 9 PRO CB 1 1 27 3597 1 1 9 PRO CD C 2.447 -4.903 2.955 1.00 . A A . 9 PRO CD 1 1 27 3598 1 1 9 PRO CG C 3.827 -5.490 2.978 1.00 . A A . 9 PRO CG 1 1 27 3599 1 1 9 PRO HA H 3.481 -3.543 5.484 1.00 . A A . 9 PRO HA 1 1 27 3600 1 1 9 PRO HB2 H 5.558 -4.726 3.975 1.00 . A A . 9 PRO HB2 1 1 27 3601 1 1 9 PRO HB3 H 4.414 -5.552 5.034 1.00 . A A . 9 PRO HB3 1 1 27 3602 1 1 9 PRO HD2 H 2.083 -4.830 1.942 1.00 . A A . 9 PRO HD2 1 1 27 3603 1 1 9 PRO HD3 H 1.773 -5.489 3.562 1.00 . A A . 9 PRO HD3 1 1 27 3604 1 1 9 PRO HG2 H 4.363 -5.220 2.080 1.00 . A A . 9 PRO HG2 1 1 27 3605 1 1 9 PRO HG3 H 3.775 -6.565 3.074 1.00 . A A . 9 PRO HG3 1 1 27 3606 1 1 9 PRO N N 2.660 -3.575 3.540 1.00 . A A . 9 PRO N 1 1 27 3607 1 1 9 PRO O O 5.630 -2.475 3.342 1.00 . A A . 9 PRO O 1 1 27 3608 1 1 10 CYS C C 6.809 -0.401 5.252 1.00 . A A . 10 CYS C 1 1 27 3609 1 1 10 CYS CA C 5.378 -0.126 4.799 1.00 . A A . 10 CYS CA 1 1 27 3610 1 1 10 CYS CB C 4.783 1.032 5.606 1.00 . A A . 10 CYS CB 1 1 27 3611 1 1 10 CYS H H 3.828 -1.319 5.605 1.00 . A A . 10 CYS H 1 1 27 3612 1 1 10 CYS HA H 5.390 0.146 3.754 1.00 . A A . 10 CYS HA 1 1 27 3613 1 1 10 CYS HB2 H 3.932 0.671 6.164 1.00 . A A . 10 CYS HB2 1 1 27 3614 1 1 10 CYS HB3 H 5.528 1.402 6.296 1.00 . A A . 10 CYS HB3 1 1 27 3615 1 1 10 CYS N N 4.549 -1.316 4.942 1.00 . A A . 10 CYS N 1 1 27 3616 1 1 10 CYS O O 7.111 -1.569 5.575 1.00 . A A . 10 CYS O 1 1 27 3617 1 1 10 CYS OXT O 7.614 0.553 5.278 1.00 . A A . 10 CYS OXT 1 1 27 3618 1 1 10 CYS SG S 4.221 2.435 4.590 1.00 . A A . 10 CYS SG 1 1 28 3619 1 1 1 ALA C C 2.136 3.678 1.152 1.00 . A A . 1 ALA C 1 1 28 3620 1 1 1 ALA CA C 2.903 4.941 1.532 1.00 . A A . 1 ALA CA 1 1 28 3621 1 1 1 ALA CB C 3.540 5.563 0.298 1.00 . A A . 1 ALA CB 1 1 28 3622 1 1 1 ALA H1 H 4.625 5.431 2.545 1.00 . A A . 1 ALA H1 1 1 28 3623 1 1 1 ALA H2 H 4.398 3.749 2.293 1.00 . A A . 1 ALA H2 1 1 28 3624 1 1 1 ALA H3 H 3.469 4.575 3.476 1.00 . A A . 1 ALA H3 1 1 28 3625 1 1 1 ALA HA H 2.211 5.658 1.948 1.00 . A A . 1 ALA HA 1 1 28 3626 1 1 1 ALA HB1 H 3.538 6.638 0.395 1.00 . A A . 1 ALA HB1 1 1 28 3627 1 1 1 ALA HB2 H 2.978 5.279 -0.579 1.00 . A A . 1 ALA HB2 1 1 28 3628 1 1 1 ALA HB3 H 4.558 5.212 0.203 1.00 . A A . 1 ALA HB3 1 1 28 3629 1 1 1 ALA N N 3.942 4.648 2.553 1.00 . A A . 1 ALA N 1 1 28 3630 1 1 1 ALA O O 1.672 3.542 0.019 1.00 . A A . 1 ALA O 1 1 28 3631 1 1 2 CYS C C 0.071 1.682 1.036 1.00 . A A . 2 CYS C 1 1 28 3632 1 1 2 CYS CA C 1.323 1.492 1.892 1.00 . A A . 2 CYS CA 1 1 28 3633 1 1 2 CYS CB C 0.940 0.846 3.233 1.00 . A A . 2 CYS CB 1 1 28 3634 1 1 2 CYS H H 2.422 2.918 2.975 1.00 . A A . 2 CYS H 1 1 28 3635 1 1 2 CYS HA H 1.999 0.831 1.370 1.00 . A A . 2 CYS HA 1 1 28 3636 1 1 2 CYS HB2 H -0.125 0.681 3.259 1.00 . A A . 2 CYS HB2 1 1 28 3637 1 1 2 CYS HB3 H 1.443 -0.098 3.295 1.00 . A A . 2 CYS HB3 1 1 28 3638 1 1 2 CYS N N 2.019 2.754 2.105 1.00 . A A . 2 CYS N 1 1 28 3639 1 1 2 CYS O O -0.855 2.396 1.420 1.00 . A A . 2 CYS O 1 1 28 3640 1 1 2 CYS SG S 1.388 1.787 4.735 1.00 . A A . 2 CYS SG 1 1 28 3641 1 1 3 LEU C C -2.370 0.688 -0.371 1.00 . A A . 3 LEU C 1 1 28 3642 1 1 3 LEU CA C -1.071 1.129 -1.046 1.00 . A A . 3 LEU CA 1 1 28 3643 1 1 3 LEU CB C -0.812 0.254 -2.273 1.00 . A A . 3 LEU CB 1 1 28 3644 1 1 3 LEU CD1 C 1.385 1.434 -2.597 1.00 . A A . 3 LEU CD1 1 1 28 3645 1 1 3 LEU CD2 C 0.620 -0.273 -4.256 1.00 . A A . 3 LEU CD2 1 1 28 3646 1 1 3 LEU CG C 0.179 0.820 -3.294 1.00 . A A . 3 LEU CG 1 1 28 3647 1 1 3 LEU H H 0.829 0.486 -0.372 1.00 . A A . 3 LEU H 1 1 28 3648 1 1 3 LEU HA H -1.162 2.157 -1.359 1.00 . A A . 3 LEU HA 1 1 28 3649 1 1 3 LEU HB2 H -0.437 -0.698 -1.931 1.00 . A A . 3 LEU HB2 1 1 28 3650 1 1 3 LEU HB3 H -1.754 0.090 -2.775 1.00 . A A . 3 LEU HB3 1 1 28 3651 1 1 3 LEU HD11 H 1.921 0.665 -2.061 1.00 . A A . 3 LEU HD11 1 1 28 3652 1 1 3 LEU HD12 H 1.052 2.191 -1.904 1.00 . A A . 3 LEU HD12 1 1 28 3653 1 1 3 LEU HD13 H 2.037 1.880 -3.333 1.00 . A A . 3 LEU HD13 1 1 28 3654 1 1 3 LEU HD21 H -0.158 -1.018 -4.335 1.00 . A A . 3 LEU HD21 1 1 28 3655 1 1 3 LEU HD22 H 1.523 -0.736 -3.884 1.00 . A A . 3 LEU HD22 1 1 28 3656 1 1 3 LEU HD23 H 0.809 0.156 -5.228 1.00 . A A . 3 LEU HD23 1 1 28 3657 1 1 3 LEU HG H -0.306 1.595 -3.868 1.00 . A A . 3 LEU HG 1 1 28 3658 1 1 3 LEU N N 0.058 1.038 -0.125 1.00 . A A . 3 LEU N 1 1 28 3659 1 1 3 LEU O O -2.442 -0.406 0.187 1.00 . A A . 3 LEU O 1 1 28 3660 1 1 4 PRO C C -5.316 -0.070 -0.422 1.00 . A A . 4 PRO C 1 1 28 3661 1 1 4 PRO CA C -4.717 1.192 0.184 1.00 . A A . 4 PRO CA 1 1 28 3662 1 1 4 PRO CB C -5.598 2.404 -0.142 1.00 . A A . 4 PRO CB 1 1 28 3663 1 1 4 PRO CD C -3.448 2.847 -1.073 1.00 . A A . 4 PRO CD 1 1 28 3664 1 1 4 PRO CG C -4.645 3.506 -0.451 1.00 . A A . 4 PRO CG 1 1 28 3665 1 1 4 PRO HA H -4.637 1.075 1.254 1.00 . A A . 4 PRO HA 1 1 28 3666 1 1 4 PRO HB2 H -6.226 2.176 -0.992 1.00 . A A . 4 PRO HB2 1 1 28 3667 1 1 4 PRO HB3 H -6.214 2.644 0.712 1.00 . A A . 4 PRO HB3 1 1 28 3668 1 1 4 PRO HD2 H -3.582 2.750 -2.141 1.00 . A A . 4 PRO HD2 1 1 28 3669 1 1 4 PRO HD3 H -2.551 3.405 -0.850 1.00 . A A . 4 PRO HD3 1 1 28 3670 1 1 4 PRO HG2 H -5.096 4.199 -1.145 1.00 . A A . 4 PRO HG2 1 1 28 3671 1 1 4 PRO HG3 H -4.362 4.014 0.459 1.00 . A A . 4 PRO HG3 1 1 28 3672 1 1 4 PRO N N -3.424 1.526 -0.421 1.00 . A A . 4 PRO N 1 1 28 3673 1 1 4 PRO O O -5.769 -0.965 0.292 1.00 . A A . 4 PRO O 1 1 28 3674 1 1 5 TRP C C -4.879 -2.463 -2.425 1.00 . A A . 5 TRP C 1 1 28 3675 1 1 5 TRP CA C -5.849 -1.283 -2.466 1.00 . A A . 5 TRP CA 1 1 28 3676 1 1 5 TRP CB C -6.155 -0.911 -3.921 1.00 . A A . 5 TRP CB 1 1 28 3677 1 1 5 TRP CD1 C -3.766 -0.221 -4.540 1.00 . A A . 5 TRP CD1 1 1 28 3678 1 1 5 TRP CD2 C -5.345 1.194 -5.258 1.00 . A A . 5 TRP CD2 1 1 28 3679 1 1 5 TRP CE2 C -4.088 1.682 -5.662 1.00 . A A . 5 TRP CE2 1 1 28 3680 1 1 5 TRP CE3 C -6.490 1.920 -5.597 1.00 . A A . 5 TRP CE3 1 1 28 3681 1 1 5 TRP CG C -5.117 -0.027 -4.545 1.00 . A A . 5 TRP CG 1 1 28 3682 1 1 5 TRP CH2 C -5.082 3.553 -6.705 1.00 . A A . 5 TRP CH2 1 1 28 3683 1 1 5 TRP CZ2 C -3.944 2.863 -6.387 1.00 . A A . 5 TRP CZ2 1 1 28 3684 1 1 5 TRP CZ3 C -6.346 3.092 -6.316 1.00 . A A . 5 TRP CZ3 1 1 28 3685 1 1 5 TRP H H -4.933 0.614 -2.256 1.00 . A A . 5 TRP H 1 1 28 3686 1 1 5 TRP HA H -6.768 -1.574 -1.980 1.00 . A A . 5 TRP HA 1 1 28 3687 1 1 5 TRP HB2 H -6.220 -1.814 -4.509 1.00 . A A . 5 TRP HB2 1 1 28 3688 1 1 5 TRP HB3 H -7.103 -0.394 -3.960 1.00 . A A . 5 TRP HB3 1 1 28 3689 1 1 5 TRP HD1 H -3.275 -1.060 -4.074 1.00 . A A . 5 TRP HD1 1 1 28 3690 1 1 5 TRP HE1 H -2.173 0.885 -5.347 1.00 . A A . 5 TRP HE1 1 1 28 3691 1 1 5 TRP HE3 H -7.472 1.582 -5.305 1.00 . A A . 5 TRP HE3 1 1 28 3692 1 1 5 TRP HH2 H -5.018 4.474 -7.265 1.00 . A A . 5 TRP HH2 1 1 28 3693 1 1 5 TRP HZ2 H -2.977 3.231 -6.694 1.00 . A A . 5 TRP HZ2 1 1 28 3694 1 1 5 TRP HZ3 H -7.220 3.667 -6.587 1.00 . A A . 5 TRP HZ3 1 1 28 3695 1 1 5 TRP N N -5.311 -0.133 -1.748 1.00 . A A . 5 TRP N 1 1 28 3696 1 1 5 TRP NE1 N -3.140 0.801 -5.212 1.00 . A A . 5 TRP NE1 1 1 28 3697 1 1 5 TRP O O -5.260 -3.599 -2.705 1.00 . A A . 5 TRP O 1 1 28 3698 1 1 6 SER C C -1.931 -3.206 -0.629 1.00 . A A . 6 SER C 1 1 28 3699 1 1 6 SER CA C -2.609 -3.227 -1.998 1.00 . A A . 6 SER CA 1 1 28 3700 1 1 6 SER CB C -1.583 -3.038 -3.120 1.00 . A A . 6 SER CB 1 1 28 3701 1 1 6 SER H H -3.373 -1.268 -1.860 1.00 . A A . 6 SER H 1 1 28 3702 1 1 6 SER HA H -3.098 -4.180 -2.127 1.00 . A A . 6 SER HA 1 1 28 3703 1 1 6 SER HB2 H -2.069 -2.609 -3.983 1.00 . A A . 6 SER HB2 1 1 28 3704 1 1 6 SER HB3 H -0.801 -2.376 -2.781 1.00 . A A . 6 SER HB3 1 1 28 3705 1 1 6 SER HG H -1.696 -4.922 -3.642 1.00 . A A . 6 SER HG 1 1 28 3706 1 1 6 SER N N -3.624 -2.189 -2.074 1.00 . A A . 6 SER N 1 1 28 3707 1 1 6 SER O O -2.570 -2.915 0.381 1.00 . A A . 6 SER O 1 1 28 3708 1 1 6 SER OG O -1.003 -4.275 -3.494 1.00 . A A . 6 SER OG 1 1 28 3709 1 1 7 ASP C C 1.415 -2.748 0.501 1.00 . A A . 7 ASP C 1 1 28 3710 1 1 7 ASP CA C 0.109 -3.534 0.648 1.00 . A A . 7 ASP CA 1 1 28 3711 1 1 7 ASP CB C 0.383 -4.982 1.069 1.00 . A A . 7 ASP CB 1 1 28 3712 1 1 7 ASP CG C -0.851 -5.857 0.968 1.00 . A A . 7 ASP CG 1 1 28 3713 1 1 7 ASP H H -0.184 -3.743 -1.429 1.00 . A A . 7 ASP H 1 1 28 3714 1 1 7 ASP HA H -0.498 -3.057 1.403 1.00 . A A . 7 ASP HA 1 1 28 3715 1 1 7 ASP HB2 H 1.149 -5.397 0.431 1.00 . A A . 7 ASP HB2 1 1 28 3716 1 1 7 ASP HB3 H 0.728 -4.994 2.093 1.00 . A A . 7 ASP HB3 1 1 28 3717 1 1 7 ASP N N -0.641 -3.517 -0.598 1.00 . A A . 7 ASP N 1 1 28 3718 1 1 7 ASP O O 1.455 -1.727 -0.186 1.00 . A A . 7 ASP O 1 1 28 3719 1 1 7 ASP OD1 O -1.368 -6.027 -0.157 1.00 . A A . 7 ASP OD1 1 1 28 3720 1 1 7 ASP OD2 O -1.300 -6.374 2.012 1.00 . A A . 7 ASP OD2 1 1 28 3721 1 1 8 GLY C C 4.454 -2.453 2.412 1.00 . A A . 8 GLY C 1 1 28 3722 1 1 8 GLY CA C 3.756 -2.539 1.067 1.00 . A A . 8 GLY CA 1 1 28 3723 1 1 8 GLY H H 2.393 -4.034 1.681 1.00 . A A . 8 GLY H 1 1 28 3724 1 1 8 GLY HA2 H 4.393 -3.072 0.377 1.00 . A A . 8 GLY HA2 1 1 28 3725 1 1 8 GLY HA3 H 3.595 -1.539 0.692 1.00 . A A . 8 GLY HA3 1 1 28 3726 1 1 8 GLY N N 2.478 -3.220 1.147 1.00 . A A . 8 GLY N 1 1 28 3727 1 1 8 GLY O O 3.862 -2.777 3.442 1.00 . A A . 8 GLY O 1 1 28 3728 1 1 9 PRO C C 5.972 -0.775 4.574 1.00 . A A . 9 PRO C 1 1 28 3729 1 1 9 PRO CA C 6.495 -1.892 3.676 1.00 . A A . 9 PRO CA 1 1 28 3730 1 1 9 PRO CB C 7.910 -1.568 3.187 1.00 . A A . 9 PRO CB 1 1 28 3731 1 1 9 PRO CD C 6.507 -1.609 1.253 1.00 . A A . 9 PRO CD 1 1 28 3732 1 1 9 PRO CG C 7.715 -0.943 1.849 1.00 . A A . 9 PRO CG 1 1 28 3733 1 1 9 PRO HA H 6.506 -2.820 4.228 1.00 . A A . 9 PRO HA 1 1 28 3734 1 1 9 PRO HB2 H 8.384 -0.885 3.877 1.00 . A A . 9 PRO HB2 1 1 28 3735 1 1 9 PRO HB3 H 8.487 -2.477 3.116 1.00 . A A . 9 PRO HB3 1 1 28 3736 1 1 9 PRO HD2 H 5.953 -0.911 0.644 1.00 . A A . 9 PRO HD2 1 1 28 3737 1 1 9 PRO HD3 H 6.800 -2.471 0.671 1.00 . A A . 9 PRO HD3 1 1 28 3738 1 1 9 PRO HG2 H 7.542 0.118 1.960 1.00 . A A . 9 PRO HG2 1 1 28 3739 1 1 9 PRO HG3 H 8.583 -1.119 1.231 1.00 . A A . 9 PRO HG3 1 1 28 3740 1 1 9 PRO N N 5.724 -2.015 2.435 1.00 . A A . 9 PRO N 1 1 28 3741 1 1 9 PRO O O 6.056 0.403 4.229 1.00 . A A . 9 PRO O 1 1 28 3742 1 1 10 CYS C C 4.914 -0.741 8.096 1.00 . A A . 10 CYS C 1 1 28 3743 1 1 10 CYS CA C 4.894 -0.185 6.676 1.00 . A A . 10 CYS CA 1 1 28 3744 1 1 10 CYS CB C 3.467 0.203 6.286 1.00 . A A . 10 CYS CB 1 1 28 3745 1 1 10 CYS H H 5.393 -2.109 5.947 1.00 . A A . 10 CYS H 1 1 28 3746 1 1 10 CYS HA H 5.519 0.695 6.639 1.00 . A A . 10 CYS HA 1 1 28 3747 1 1 10 CYS HB2 H 2.939 -0.678 5.955 1.00 . A A . 10 CYS HB2 1 1 28 3748 1 1 10 CYS HB3 H 2.965 0.614 7.150 1.00 . A A . 10 CYS HB3 1 1 28 3749 1 1 10 CYS N N 5.432 -1.155 5.728 1.00 . A A . 10 CYS N 1 1 28 3750 1 1 10 CYS O O 5.938 -0.559 8.789 1.00 . A A . 10 CYS O 1 1 28 3751 1 1 10 CYS OXT O 3.904 -1.353 8.506 1.00 . A A . 10 CYS OXT 1 1 28 3752 1 1 10 CYS SG S 3.377 1.439 4.950 1.00 . A A . 10 CYS SG 1 1 29 3753 1 1 1 ALA C C 3.023 3.864 0.968 1.00 . A A . 1 ALA C 1 1 29 3754 1 1 1 ALA CA C 3.832 5.138 1.190 1.00 . A A . 1 ALA CA 1 1 29 3755 1 1 1 ALA CB C 2.916 6.279 1.608 1.00 . A A . 1 ALA CB 1 1 29 3756 1 1 1 ALA H1 H 5.141 6.363 0.181 1.00 . A A . 1 ALA H1 1 1 29 3757 1 1 1 ALA H2 H 3.900 5.685 -0.792 1.00 . A A . 1 ALA H2 1 1 29 3758 1 1 1 ALA H3 H 5.215 4.711 -0.272 1.00 . A A . 1 ALA H3 1 1 29 3759 1 1 1 ALA HA H 4.539 4.966 1.989 1.00 . A A . 1 ALA HA 1 1 29 3760 1 1 1 ALA HB1 H 3.284 7.206 1.193 1.00 . A A . 1 ALA HB1 1 1 29 3761 1 1 1 ALA HB2 H 2.897 6.349 2.685 1.00 . A A . 1 ALA HB2 1 1 29 3762 1 1 1 ALA HB3 H 1.918 6.091 1.242 1.00 . A A . 1 ALA HB3 1 1 29 3763 1 1 1 ALA N N 4.590 5.508 -0.033 1.00 . A A . 1 ALA N 1 1 29 3764 1 1 1 ALA O O 3.206 3.167 -0.029 1.00 . A A . 1 ALA O 1 1 29 3765 1 1 2 CYS C C 0.030 2.661 1.007 1.00 . A A . 2 CYS C 1 1 29 3766 1 1 2 CYS CA C 1.292 2.386 1.819 1.00 . A A . 2 CYS CA 1 1 29 3767 1 1 2 CYS CB C 0.929 1.928 3.228 1.00 . A A . 2 CYS CB 1 1 29 3768 1 1 2 CYS H H 2.024 4.157 2.678 1.00 . A A . 2 CYS H 1 1 29 3769 1 1 2 CYS HA H 1.860 1.608 1.332 1.00 . A A . 2 CYS HA 1 1 29 3770 1 1 2 CYS HB2 H 1.402 2.588 3.939 1.00 . A A . 2 CYS HB2 1 1 29 3771 1 1 2 CYS HB3 H -0.136 1.988 3.351 1.00 . A A . 2 CYS HB3 1 1 29 3772 1 1 2 CYS N N 2.128 3.566 1.904 1.00 . A A . 2 CYS N 1 1 29 3773 1 1 2 CYS O O -0.311 3.813 0.741 1.00 . A A . 2 CYS O 1 1 29 3774 1 1 2 CYS SG S 1.455 0.229 3.624 1.00 . A A . 2 CYS SG 1 1 29 3775 1 1 3 LEU C C -2.882 0.620 0.195 1.00 . A A . 3 LEU C 1 1 29 3776 1 1 3 LEU CA C -1.884 1.718 -0.169 1.00 . A A . 3 LEU CA 1 1 29 3777 1 1 3 LEU CB C -1.565 1.656 -1.664 1.00 . A A . 3 LEU CB 1 1 29 3778 1 1 3 LEU CD1 C 0.129 1.954 -3.488 1.00 . A A . 3 LEU CD1 1 1 29 3779 1 1 3 LEU CD2 C -0.454 3.877 -1.999 1.00 . A A . 3 LEU CD2 1 1 29 3780 1 1 3 LEU CG C -0.278 2.368 -2.083 1.00 . A A . 3 LEU CG 1 1 29 3781 1 1 3 LEU H H -0.335 0.700 0.858 1.00 . A A . 3 LEU H 1 1 29 3782 1 1 3 LEU HA H -2.323 2.678 0.057 1.00 . A A . 3 LEU HA 1 1 29 3783 1 1 3 LEU HB2 H -1.487 0.617 -1.951 1.00 . A A . 3 LEU HB2 1 1 29 3784 1 1 3 LEU HB3 H -2.387 2.100 -2.205 1.00 . A A . 3 LEU HB3 1 1 29 3785 1 1 3 LEU HD11 H -0.748 1.652 -4.042 1.00 . A A . 3 LEU HD11 1 1 29 3786 1 1 3 LEU HD12 H 0.821 1.127 -3.433 1.00 . A A . 3 LEU HD12 1 1 29 3787 1 1 3 LEU HD13 H 0.601 2.787 -3.986 1.00 . A A . 3 LEU HD13 1 1 29 3788 1 1 3 LEU HD21 H 0.474 4.331 -1.683 1.00 . A A . 3 LEU HD21 1 1 29 3789 1 1 3 LEU HD22 H -1.230 4.110 -1.285 1.00 . A A . 3 LEU HD22 1 1 29 3790 1 1 3 LEU HD23 H -0.731 4.262 -2.970 1.00 . A A . 3 LEU HD23 1 1 29 3791 1 1 3 LEU HG H 0.518 2.086 -1.408 1.00 . A A . 3 LEU HG 1 1 29 3792 1 1 3 LEU N N -0.659 1.593 0.615 1.00 . A A . 3 LEU N 1 1 29 3793 1 1 3 LEU O O -2.492 -0.506 0.502 1.00 . A A . 3 LEU O 1 1 29 3794 1 1 4 PRO C C -5.134 -1.301 -0.365 1.00 . A A . 4 PRO C 1 1 29 3795 1 1 4 PRO CA C -5.240 -0.041 0.484 1.00 . A A . 4 PRO CA 1 1 29 3796 1 1 4 PRO CB C -6.535 0.708 0.159 1.00 . A A . 4 PRO CB 1 1 29 3797 1 1 4 PRO CD C -4.748 2.247 -0.204 1.00 . A A . 4 PRO CD 1 1 29 3798 1 1 4 PRO CG C -6.176 2.150 0.252 1.00 . A A . 4 PRO CG 1 1 29 3799 1 1 4 PRO HA H -5.225 -0.308 1.530 1.00 . A A . 4 PRO HA 1 1 29 3800 1 1 4 PRO HB2 H -6.864 0.446 -0.836 1.00 . A A . 4 PRO HB2 1 1 29 3801 1 1 4 PRO HB3 H -7.296 0.444 0.877 1.00 . A A . 4 PRO HB3 1 1 29 3802 1 1 4 PRO HD2 H -4.703 2.403 -1.272 1.00 . A A . 4 PRO HD2 1 1 29 3803 1 1 4 PRO HD3 H -4.238 3.041 0.318 1.00 . A A . 4 PRO HD3 1 1 29 3804 1 1 4 PRO HG2 H -6.817 2.730 -0.395 1.00 . A A . 4 PRO HG2 1 1 29 3805 1 1 4 PRO HG3 H -6.267 2.487 1.274 1.00 . A A . 4 PRO HG3 1 1 29 3806 1 1 4 PRO N N -4.190 0.931 0.160 1.00 . A A . 4 PRO N 1 1 29 3807 1 1 4 PRO O O -4.912 -2.396 0.150 1.00 . A A . 4 PRO O 1 1 29 3808 1 1 5 TRP C C -3.795 -2.803 -2.688 1.00 . A A . 5 TRP C 1 1 29 3809 1 1 5 TRP CA C -5.215 -2.245 -2.609 1.00 . A A . 5 TRP CA 1 1 29 3810 1 1 5 TRP CB C -5.682 -1.802 -4.000 1.00 . A A . 5 TRP CB 1 1 29 3811 1 1 5 TRP CD1 C -3.901 -0.030 -4.499 1.00 . A A . 5 TRP CD1 1 1 29 3812 1 1 5 TRP CD2 C -6.006 0.705 -4.697 1.00 . A A . 5 TRP CD2 1 1 29 3813 1 1 5 TRP CE2 C -5.131 1.766 -4.998 1.00 . A A . 5 TRP CE2 1 1 29 3814 1 1 5 TRP CE3 C -7.384 0.931 -4.755 1.00 . A A . 5 TRP CE3 1 1 29 3815 1 1 5 TRP CG C -5.198 -0.436 -4.385 1.00 . A A . 5 TRP CG 1 1 29 3816 1 1 5 TRP CH2 C -6.943 3.226 -5.398 1.00 . A A . 5 TRP CH2 1 1 29 3817 1 1 5 TRP CZ2 C -5.590 3.032 -5.350 1.00 . A A . 5 TRP CZ2 1 1 29 3818 1 1 5 TRP CZ3 C -7.838 2.189 -5.104 1.00 . A A . 5 TRP CZ3 1 1 29 3819 1 1 5 TRP H H -5.465 -0.229 -2.014 1.00 . A A . 5 TRP H 1 1 29 3820 1 1 5 TRP HA H -5.873 -3.022 -2.251 1.00 . A A . 5 TRP HA 1 1 29 3821 1 1 5 TRP HB2 H -5.316 -2.504 -4.734 1.00 . A A . 5 TRP HB2 1 1 29 3822 1 1 5 TRP HB3 H -6.762 -1.794 -4.023 1.00 . A A . 5 TRP HB3 1 1 29 3823 1 1 5 TRP HD1 H -3.048 -0.666 -4.321 1.00 . A A . 5 TRP HD1 1 1 29 3824 1 1 5 TRP HE1 H -3.033 1.811 -5.019 1.00 . A A . 5 TRP HE1 1 1 29 3825 1 1 5 TRP HE3 H -8.088 0.145 -4.530 1.00 . A A . 5 TRP HE3 1 1 29 3826 1 1 5 TRP HH2 H -7.343 4.193 -5.666 1.00 . A A . 5 TRP HH2 1 1 29 3827 1 1 5 TRP HZ2 H -4.913 3.842 -5.580 1.00 . A A . 5 TRP HZ2 1 1 29 3828 1 1 5 TRP HZ3 H -8.899 2.383 -5.153 1.00 . A A . 5 TRP HZ3 1 1 29 3829 1 1 5 TRP N N -5.293 -1.130 -1.671 1.00 . A A . 5 TRP N 1 1 29 3830 1 1 5 TRP NE1 N -3.851 1.292 -4.870 1.00 . A A . 5 TRP NE1 1 1 29 3831 1 1 5 TRP O O -3.577 -3.892 -3.219 1.00 . A A . 5 TRP O 1 1 29 3832 1 1 6 SER C C -0.679 -1.865 -0.998 1.00 . A A . 6 SER C 1 1 29 3833 1 1 6 SER CA C -1.436 -2.478 -2.171 1.00 . A A . 6 SER CA 1 1 29 3834 1 1 6 SER CB C -0.771 -2.079 -3.489 1.00 . A A . 6 SER CB 1 1 29 3835 1 1 6 SER H H -3.062 -1.194 -1.746 1.00 . A A . 6 SER H 1 1 29 3836 1 1 6 SER HA H -1.415 -3.553 -2.077 1.00 . A A . 6 SER HA 1 1 29 3837 1 1 6 SER HB2 H -1.176 -1.135 -3.823 1.00 . A A . 6 SER HB2 1 1 29 3838 1 1 6 SER HB3 H 0.294 -1.979 -3.337 1.00 . A A . 6 SER HB3 1 1 29 3839 1 1 6 SER HG H -0.160 -3.360 -4.839 1.00 . A A . 6 SER HG 1 1 29 3840 1 1 6 SER N N -2.831 -2.053 -2.158 1.00 . A A . 6 SER N 1 1 29 3841 1 1 6 SER O O 0.005 -0.853 -1.147 1.00 . A A . 6 SER O 1 1 29 3842 1 1 6 SER OG O -1.001 -3.053 -4.492 1.00 . A A . 6 SER OG 1 1 29 3843 1 1 7 ASP C C 1.329 -1.711 1.127 1.00 . A A . 7 ASP C 1 1 29 3844 1 1 7 ASP CA C -0.152 -1.996 1.380 1.00 . A A . 7 ASP CA 1 1 29 3845 1 1 7 ASP CB C -0.311 -3.010 2.515 1.00 . A A . 7 ASP CB 1 1 29 3846 1 1 7 ASP CG C -1.719 -3.030 3.078 1.00 . A A . 7 ASP CG 1 1 29 3847 1 1 7 ASP H H -1.378 -3.281 0.229 1.00 . A A . 7 ASP H 1 1 29 3848 1 1 7 ASP HA H -0.634 -1.074 1.668 1.00 . A A . 7 ASP HA 1 1 29 3849 1 1 7 ASP HB2 H -0.078 -3.996 2.144 1.00 . A A . 7 ASP HB2 1 1 29 3850 1 1 7 ASP HB3 H 0.373 -2.758 3.313 1.00 . A A . 7 ASP HB3 1 1 29 3851 1 1 7 ASP N N -0.814 -2.482 0.173 1.00 . A A . 7 ASP N 1 1 29 3852 1 1 7 ASP O O 1.708 -0.576 0.836 1.00 . A A . 7 ASP O 1 1 29 3853 1 1 7 ASP OD1 O -2.326 -1.945 3.196 1.00 . A A . 7 ASP OD1 1 1 29 3854 1 1 7 ASP OD2 O -2.213 -4.131 3.400 1.00 . A A . 7 ASP OD2 1 1 29 3855 1 1 8 GLY C C 4.406 -2.853 2.269 1.00 . A A . 8 GLY C 1 1 29 3856 1 1 8 GLY CA C 3.587 -2.570 1.021 1.00 . A A . 8 GLY CA 1 1 29 3857 1 1 8 GLY H H 1.808 -3.625 1.475 1.00 . A A . 8 GLY H 1 1 29 3858 1 1 8 GLY HA2 H 3.903 -3.241 0.236 1.00 . A A . 8 GLY HA2 1 1 29 3859 1 1 8 GLY HA3 H 3.770 -1.554 0.706 1.00 . A A . 8 GLY HA3 1 1 29 3860 1 1 8 GLY N N 2.162 -2.742 1.240 1.00 . A A . 8 GLY N 1 1 29 3861 1 1 8 GLY O O 4.048 -3.724 3.062 1.00 . A A . 8 GLY O 1 1 29 3862 1 1 9 PRO C C 5.848 -1.639 4.889 1.00 . A A . 9 PRO C 1 1 29 3863 1 1 9 PRO CA C 6.388 -2.322 3.635 1.00 . A A . 9 PRO CA 1 1 29 3864 1 1 9 PRO CB C 7.697 -1.672 3.193 1.00 . A A . 9 PRO CB 1 1 29 3865 1 1 9 PRO CD C 6.032 -1.072 1.574 1.00 . A A . 9 PRO CD 1 1 29 3866 1 1 9 PRO CG C 7.278 -0.583 2.267 1.00 . A A . 9 PRO CG 1 1 29 3867 1 1 9 PRO HA H 6.553 -3.370 3.838 1.00 . A A . 9 PRO HA 1 1 29 3868 1 1 9 PRO HB2 H 8.218 -1.282 4.056 1.00 . A A . 9 PRO HB2 1 1 29 3869 1 1 9 PRO HB3 H 8.315 -2.402 2.691 1.00 . A A . 9 PRO HB3 1 1 29 3870 1 1 9 PRO HD2 H 5.314 -0.270 1.480 1.00 . A A . 9 PRO HD2 1 1 29 3871 1 1 9 PRO HD3 H 6.275 -1.476 0.602 1.00 . A A . 9 PRO HD3 1 1 29 3872 1 1 9 PRO HG2 H 7.066 0.314 2.830 1.00 . A A . 9 PRO HG2 1 1 29 3873 1 1 9 PRO HG3 H 8.059 -0.396 1.544 1.00 . A A . 9 PRO HG3 1 1 29 3874 1 1 9 PRO N N 5.522 -2.130 2.470 1.00 . A A . 9 PRO N 1 1 29 3875 1 1 9 PRO O O 6.479 -0.734 5.436 1.00 . A A . 9 PRO O 1 1 29 3876 1 1 10 CYS C C 3.679 -2.610 7.525 1.00 . A A . 10 CYS C 1 1 29 3877 1 1 10 CYS CA C 4.062 -1.512 6.538 1.00 . A A . 10 CYS CA 1 1 29 3878 1 1 10 CYS CB C 2.824 -0.695 6.164 1.00 . A A . 10 CYS CB 1 1 29 3879 1 1 10 CYS H H 4.225 -2.807 4.869 1.00 . A A . 10 CYS H 1 1 29 3880 1 1 10 CYS HA H 4.784 -0.861 7.006 1.00 . A A . 10 CYS HA 1 1 29 3881 1 1 10 CYS HB2 H 2.035 -1.369 5.864 1.00 . A A . 10 CYS HB2 1 1 29 3882 1 1 10 CYS HB3 H 2.500 -0.132 7.027 1.00 . A A . 10 CYS HB3 1 1 29 3883 1 1 10 CYS N N 4.680 -2.080 5.344 1.00 . A A . 10 CYS N 1 1 29 3884 1 1 10 CYS O O 4.524 -2.962 8.375 1.00 . A A . 10 CYS O 1 1 29 3885 1 1 10 CYS OXT O 2.537 -3.109 7.439 1.00 . A A . 10 CYS OXT 1 1 29 3886 1 1 10 CYS SG S 3.090 0.483 4.800 1.00 . A A . 10 CYS SG 1 1 30 3887 1 1 1 ALA C C -0.298 2.010 2.941 1.00 . A A . 1 ALA C 1 1 30 3888 1 1 1 ALA CA C -1.182 1.200 3.883 1.00 . A A . 1 ALA CA 1 1 30 3889 1 1 1 ALA CB C -2.537 0.941 3.241 1.00 . A A . 1 ALA CB 1 1 30 3890 1 1 1 ALA H1 H -0.460 2.375 5.409 1.00 . A A . 1 ALA H1 1 1 30 3891 1 1 1 ALA H2 H -1.585 1.176 5.899 1.00 . A A . 1 ALA H2 1 1 30 3892 1 1 1 ALA H3 H -2.128 2.581 5.078 1.00 . A A . 1 ALA H3 1 1 30 3893 1 1 1 ALA HA H -0.711 0.245 4.067 1.00 . A A . 1 ALA HA 1 1 30 3894 1 1 1 ALA HB1 H -2.455 1.048 2.169 1.00 . A A . 1 ALA HB1 1 1 30 3895 1 1 1 ALA HB2 H -3.257 1.651 3.620 1.00 . A A . 1 ALA HB2 1 1 30 3896 1 1 1 ALA HB3 H -2.862 -0.062 3.479 1.00 . A A . 1 ALA HB3 1 1 30 3897 1 1 1 ALA N N -1.354 1.896 5.184 1.00 . A A . 1 ALA N 1 1 30 3898 1 1 1 ALA O O -0.645 3.126 2.554 1.00 . A A . 1 ALA O 1 1 30 3899 1 1 2 CYS C C 1.523 1.751 0.227 1.00 . A A . 2 CYS C 1 1 30 3900 1 1 2 CYS CA C 1.782 2.103 1.688 1.00 . A A . 2 CYS CA 1 1 30 3901 1 1 2 CYS CB C 3.206 1.720 2.081 1.00 . A A . 2 CYS CB 1 1 30 3902 1 1 2 CYS H H 1.075 0.554 2.917 1.00 . A A . 2 CYS H 1 1 30 3903 1 1 2 CYS HA H 1.652 3.159 1.810 1.00 . A A . 2 CYS HA 1 1 30 3904 1 1 2 CYS HB2 H 3.162 1.066 2.938 1.00 . A A . 2 CYS HB2 1 1 30 3905 1 1 2 CYS HB3 H 3.663 1.193 1.266 1.00 . A A . 2 CYS HB3 1 1 30 3906 1 1 2 CYS N N 0.848 1.443 2.578 1.00 . A A . 2 CYS N 1 1 30 3907 1 1 2 CYS O O 2.304 2.109 -0.654 1.00 . A A . 2 CYS O 1 1 30 3908 1 1 2 CYS SG S 4.279 3.124 2.527 1.00 . A A . 2 CYS SG 1 1 30 3909 1 1 3 LEU C C -1.389 1.057 -1.695 1.00 . A A . 3 LEU C 1 1 30 3910 1 1 3 LEU CA C 0.056 0.678 -1.387 1.00 . A A . 3 LEU CA 1 1 30 3911 1 1 3 LEU CB C 0.243 -0.829 -1.601 1.00 . A A . 3 LEU CB 1 1 30 3912 1 1 3 LEU CD1 C 1.848 -2.716 -1.990 1.00 . A A . 3 LEU CD1 1 1 30 3913 1 1 3 LEU CD2 C 2.735 -0.417 -1.581 1.00 . A A . 3 LEU CD2 1 1 30 3914 1 1 3 LEU CG C 1.623 -1.404 -1.252 1.00 . A A . 3 LEU CG 1 1 30 3915 1 1 3 LEU H H -0.168 0.821 0.721 1.00 . A A . 3 LEU H 1 1 30 3916 1 1 3 LEU HA H 0.705 1.212 -2.064 1.00 . A A . 3 LEU HA 1 1 30 3917 1 1 3 LEU HB2 H -0.495 -1.344 -1.004 1.00 . A A . 3 LEU HB2 1 1 30 3918 1 1 3 LEU HB3 H 0.045 -1.045 -2.641 1.00 . A A . 3 LEU HB3 1 1 30 3919 1 1 3 LEU HD11 H 2.884 -2.789 -2.287 1.00 . A A . 3 LEU HD11 1 1 30 3920 1 1 3 LEU HD12 H 1.220 -2.747 -2.868 1.00 . A A . 3 LEU HD12 1 1 30 3921 1 1 3 LEU HD13 H 1.601 -3.543 -1.342 1.00 . A A . 3 LEU HD13 1 1 30 3922 1 1 3 LEU HD21 H 3.556 -0.943 -2.046 1.00 . A A . 3 LEU HD21 1 1 30 3923 1 1 3 LEU HD22 H 3.080 0.052 -0.672 1.00 . A A . 3 LEU HD22 1 1 30 3924 1 1 3 LEU HD23 H 2.362 0.336 -2.257 1.00 . A A . 3 LEU HD23 1 1 30 3925 1 1 3 LEU HG H 1.659 -1.610 -0.192 1.00 . A A . 3 LEU HG 1 1 30 3926 1 1 3 LEU N N 0.419 1.065 -0.025 1.00 . A A . 3 LEU N 1 1 30 3927 1 1 3 LEU O O -2.243 1.054 -0.808 1.00 . A A . 3 LEU O 1 1 30 3928 1 1 4 PRO C C -4.055 0.663 -3.067 1.00 . A A . 4 PRO C 1 1 30 3929 1 1 4 PRO CA C -3.041 1.755 -3.386 1.00 . A A . 4 PRO CA 1 1 30 3930 1 1 4 PRO CB C -2.915 1.939 -4.902 1.00 . A A . 4 PRO CB 1 1 30 3931 1 1 4 PRO CD C -0.734 1.407 -4.089 1.00 . A A . 4 PRO CD 1 1 30 3932 1 1 4 PRO CG C -1.467 2.190 -5.141 1.00 . A A . 4 PRO CG 1 1 30 3933 1 1 4 PRO HA H -3.357 2.683 -2.931 1.00 . A A . 4 PRO HA 1 1 30 3934 1 1 4 PRO HB2 H -3.249 1.042 -5.404 1.00 . A A . 4 PRO HB2 1 1 30 3935 1 1 4 PRO HB3 H -3.517 2.778 -5.217 1.00 . A A . 4 PRO HB3 1 1 30 3936 1 1 4 PRO HD2 H -0.524 0.407 -4.440 1.00 . A A . 4 PRO HD2 1 1 30 3937 1 1 4 PRO HD3 H 0.179 1.912 -3.811 1.00 . A A . 4 PRO HD3 1 1 30 3938 1 1 4 PRO HG2 H -1.191 1.843 -6.127 1.00 . A A . 4 PRO HG2 1 1 30 3939 1 1 4 PRO HG3 H -1.254 3.244 -5.040 1.00 . A A . 4 PRO HG3 1 1 30 3940 1 1 4 PRO N N -1.687 1.383 -2.966 1.00 . A A . 4 PRO N 1 1 30 3941 1 1 4 PRO O O -5.234 0.939 -2.846 1.00 . A A . 4 PRO O 1 1 30 3942 1 1 5 TRP C C -4.277 -2.153 -1.286 1.00 . A A . 5 TRP C 1 1 30 3943 1 1 5 TRP CA C -4.444 -1.721 -2.740 1.00 . A A . 5 TRP CA 1 1 30 3944 1 1 5 TRP CB C -4.140 -2.902 -3.675 1.00 . A A . 5 TRP CB 1 1 30 3945 1 1 5 TRP CD1 C -1.837 -2.990 -4.798 1.00 . A A . 5 TRP CD1 1 1 30 3946 1 1 5 TRP CD2 C -3.365 -1.808 -5.928 1.00 . A A . 5 TRP CD2 1 1 30 3947 1 1 5 TRP CE2 C -2.154 -1.778 -6.645 1.00 . A A . 5 TRP CE2 1 1 30 3948 1 1 5 TRP CE3 C -4.472 -1.131 -6.448 1.00 . A A . 5 TRP CE3 1 1 30 3949 1 1 5 TRP CG C -3.141 -2.589 -4.750 1.00 . A A . 5 TRP CG 1 1 30 3950 1 1 5 TRP CH2 C -3.120 -0.445 -8.338 1.00 . A A . 5 TRP CH2 1 1 30 3951 1 1 5 TRP CZ2 C -2.020 -1.098 -7.853 1.00 . A A . 5 TRP CZ2 1 1 30 3952 1 1 5 TRP CZ3 C -4.338 -0.457 -7.647 1.00 . A A . 5 TRP CZ3 1 1 30 3953 1 1 5 TRP H H -2.632 -0.734 -3.219 1.00 . A A . 5 TRP H 1 1 30 3954 1 1 5 TRP HA H -5.467 -1.409 -2.892 1.00 . A A . 5 TRP HA 1 1 30 3955 1 1 5 TRP HB2 H -3.750 -3.723 -3.092 1.00 . A A . 5 TRP HB2 1 1 30 3956 1 1 5 TRP HB3 H -5.057 -3.215 -4.154 1.00 . A A . 5 TRP HB3 1 1 30 3957 1 1 5 TRP HD1 H -1.360 -3.598 -4.044 1.00 . A A . 5 TRP HD1 1 1 30 3958 1 1 5 TRP HE1 H -0.304 -2.659 -6.195 1.00 . A A . 5 TRP HE1 1 1 30 3959 1 1 5 TRP HE3 H -5.419 -1.129 -5.929 1.00 . A A . 5 TRP HE3 1 1 30 3960 1 1 5 TRP HH2 H -3.061 0.096 -9.271 1.00 . A A . 5 TRP HH2 1 1 30 3961 1 1 5 TRP HZ2 H -1.088 -1.080 -8.398 1.00 . A A . 5 TRP HZ2 1 1 30 3962 1 1 5 TRP HZ3 H -5.183 0.072 -8.064 1.00 . A A . 5 TRP HZ3 1 1 30 3963 1 1 5 TRP N N -3.583 -0.581 -3.039 1.00 . A A . 5 TRP N 1 1 30 3964 1 1 5 TRP NE1 N -1.237 -2.507 -5.935 1.00 . A A . 5 TRP NE1 1 1 30 3965 1 1 5 TRP O O -4.495 -3.315 -0.944 1.00 . A A . 5 TRP O 1 1 30 3966 1 1 6 SER C C -2.571 -2.492 1.199 1.00 . A A . 6 SER C 1 1 30 3967 1 1 6 SER CA C -3.691 -1.480 0.981 1.00 . A A . 6 SER CA 1 1 30 3968 1 1 6 SER CB C -4.989 -1.982 1.611 1.00 . A A . 6 SER CB 1 1 30 3969 1 1 6 SER H H -3.732 -0.300 -0.772 1.00 . A A . 6 SER H 1 1 30 3970 1 1 6 SER HA H -3.412 -0.551 1.456 1.00 . A A . 6 SER HA 1 1 30 3971 1 1 6 SER HB2 H -5.593 -1.136 1.900 1.00 . A A . 6 SER HB2 1 1 30 3972 1 1 6 SER HB3 H -5.526 -2.579 0.891 1.00 . A A . 6 SER HB3 1 1 30 3973 1 1 6 SER HG H -4.440 -3.645 2.492 1.00 . A A . 6 SER HG 1 1 30 3974 1 1 6 SER N N -3.889 -1.207 -0.437 1.00 . A A . 6 SER N 1 1 30 3975 1 1 6 SER O O -2.741 -3.689 0.970 1.00 . A A . 6 SER O 1 1 30 3976 1 1 6 SER OG O -4.734 -2.771 2.761 1.00 . A A . 6 SER OG 1 1 30 3977 1 1 7 ASP C C 0.879 -1.948 2.414 1.00 . A A . 7 ASP C 1 1 30 3978 1 1 7 ASP CA C -0.263 -2.821 1.916 1.00 . A A . 7 ASP CA 1 1 30 3979 1 1 7 ASP CB C 0.160 -3.584 0.659 1.00 . A A . 7 ASP CB 1 1 30 3980 1 1 7 ASP CG C -0.297 -5.029 0.680 1.00 . A A . 7 ASP CG 1 1 30 3981 1 1 7 ASP H H -1.367 -1.028 1.814 1.00 . A A . 7 ASP H 1 1 30 3982 1 1 7 ASP HA H -0.525 -3.527 2.689 1.00 . A A . 7 ASP HA 1 1 30 3983 1 1 7 ASP HB2 H -0.269 -3.104 -0.208 1.00 . A A . 7 ASP HB2 1 1 30 3984 1 1 7 ASP HB3 H 1.237 -3.567 0.580 1.00 . A A . 7 ASP HB3 1 1 30 3985 1 1 7 ASP N N -1.428 -1.991 1.650 1.00 . A A . 7 ASP N 1 1 30 3986 1 1 7 ASP O O 1.140 -0.885 1.852 1.00 . A A . 7 ASP O 1 1 30 3987 1 1 7 ASP OD1 O 0.156 -5.782 1.568 1.00 . A A . 7 ASP OD1 1 1 30 3988 1 1 7 ASP OD2 O -1.107 -5.409 -0.191 1.00 . A A . 7 ASP OD2 1 1 30 3989 1 1 8 GLY C C 4.014 -2.185 3.771 1.00 . A A . 8 GLY C 1 1 30 3990 1 1 8 GLY CA C 2.634 -1.603 4.032 1.00 . A A . 8 GLY CA 1 1 30 3991 1 1 8 GLY H H 1.284 -3.232 3.892 1.00 . A A . 8 GLY H 1 1 30 3992 1 1 8 GLY HA2 H 2.595 -0.612 3.610 1.00 . A A . 8 GLY HA2 1 1 30 3993 1 1 8 GLY HA3 H 2.489 -1.527 5.100 1.00 . A A . 8 GLY HA3 1 1 30 3994 1 1 8 GLY N N 1.545 -2.385 3.476 1.00 . A A . 8 GLY N 1 1 30 3995 1 1 8 GLY O O 4.719 -2.541 4.715 1.00 . A A . 8 GLY O 1 1 30 3996 1 1 9 PRO C C 6.844 -1.734 2.188 1.00 . A A . 9 PRO C 1 1 30 3997 1 1 9 PRO CA C 5.762 -2.811 2.152 1.00 . A A . 9 PRO CA 1 1 30 3998 1 1 9 PRO CB C 5.549 -3.296 0.724 1.00 . A A . 9 PRO CB 1 1 30 3999 1 1 9 PRO CD C 3.692 -1.883 1.292 1.00 . A A . 9 PRO CD 1 1 30 4000 1 1 9 PRO CG C 4.590 -2.308 0.153 1.00 . A A . 9 PRO CG 1 1 30 4001 1 1 9 PRO HA H 6.045 -3.634 2.786 1.00 . A A . 9 PRO HA 1 1 30 4002 1 1 9 PRO HB2 H 6.490 -3.294 0.193 1.00 . A A . 9 PRO HB2 1 1 30 4003 1 1 9 PRO HB3 H 5.132 -4.292 0.734 1.00 . A A . 9 PRO HB3 1 1 30 4004 1 1 9 PRO HD2 H 3.534 -0.815 1.271 1.00 . A A . 9 PRO HD2 1 1 30 4005 1 1 9 PRO HD3 H 2.753 -2.407 1.235 1.00 . A A . 9 PRO HD3 1 1 30 4006 1 1 9 PRO HG2 H 5.129 -1.457 -0.236 1.00 . A A . 9 PRO HG2 1 1 30 4007 1 1 9 PRO HG3 H 4.007 -2.773 -0.629 1.00 . A A . 9 PRO HG3 1 1 30 4008 1 1 9 PRO N N 4.444 -2.283 2.498 1.00 . A A . 9 PRO N 1 1 30 4009 1 1 9 PRO O O 7.858 -1.833 1.497 1.00 . A A . 9 PRO O 1 1 30 4010 1 1 10 CYS C C 8.580 0.117 4.223 1.00 . A A . 10 CYS C 1 1 30 4011 1 1 10 CYS CA C 7.562 0.398 3.123 1.00 . A A . 10 CYS CA 1 1 30 4012 1 1 10 CYS CB C 6.816 1.702 3.419 1.00 . A A . 10 CYS CB 1 1 30 4013 1 1 10 CYS H H 5.790 -0.683 3.516 1.00 . A A . 10 CYS H 1 1 30 4014 1 1 10 CYS HA H 8.083 0.498 2.183 1.00 . A A . 10 CYS HA 1 1 30 4015 1 1 10 CYS HB2 H 5.996 1.495 4.090 1.00 . A A . 10 CYS HB2 1 1 30 4016 1 1 10 CYS HB3 H 7.495 2.396 3.894 1.00 . A A . 10 CYS HB3 1 1 30 4017 1 1 10 CYS N N 6.616 -0.704 2.995 1.00 . A A . 10 CYS N 1 1 30 4018 1 1 10 CYS O O 9.791 0.279 3.963 1.00 . A A . 10 CYS O 1 1 30 4019 1 1 10 CYS OXT O 8.158 -0.262 5.336 1.00 . A A . 10 CYS OXT 1 1 30 4020 1 1 10 CYS SG S 6.129 2.521 1.942 1.00 . A A . 10 CYS SG 1 1 31 4021 1 1 1 ALA C C 0.100 -0.633 3.253 1.00 . A A . 1 ALA C 1 1 31 4022 1 1 1 ALA CA C 0.473 -2.106 3.395 1.00 . A A . 1 ALA CA 1 1 31 4023 1 1 1 ALA CB C -0.766 -2.945 3.676 1.00 . A A . 1 ALA CB 1 1 31 4024 1 1 1 ALA H1 H 2.318 -1.741 4.228 1.00 . A A . 1 ALA H1 1 1 31 4025 1 1 1 ALA H2 H 1.699 -3.315 4.521 1.00 . A A . 1 ALA H2 1 1 31 4026 1 1 1 ALA H3 H 1.054 -1.966 5.363 1.00 . A A . 1 ALA H3 1 1 31 4027 1 1 1 ALA HA H 0.905 -2.447 2.466 1.00 . A A . 1 ALA HA 1 1 31 4028 1 1 1 ALA HB1 H -1.542 -2.317 4.088 1.00 . A A . 1 ALA HB1 1 1 31 4029 1 1 1 ALA HB2 H -0.520 -3.723 4.383 1.00 . A A . 1 ALA HB2 1 1 31 4030 1 1 1 ALA HB3 H -1.115 -3.391 2.757 1.00 . A A . 1 ALA HB3 1 1 31 4031 1 1 1 ALA N N 1.477 -2.299 4.474 1.00 . A A . 1 ALA N 1 1 31 4032 1 1 1 ALA O O -1.040 -0.242 3.504 1.00 . A A . 1 ALA O 1 1 31 4033 1 1 2 CYS C C 0.513 1.951 1.235 1.00 . A A . 2 CYS C 1 1 31 4034 1 1 2 CYS CA C 0.854 1.607 2.680 1.00 . A A . 2 CYS CA 1 1 31 4035 1 1 2 CYS CB C 2.104 2.352 3.119 1.00 . A A . 2 CYS CB 1 1 31 4036 1 1 2 CYS H H 1.961 -0.179 2.670 1.00 . A A . 2 CYS H 1 1 31 4037 1 1 2 CYS HA H 0.030 1.893 3.308 1.00 . A A . 2 CYS HA 1 1 31 4038 1 1 2 CYS HB2 H 2.829 1.629 3.459 1.00 . A A . 2 CYS HB2 1 1 31 4039 1 1 2 CYS HB3 H 2.509 2.882 2.278 1.00 . A A . 2 CYS HB3 1 1 31 4040 1 1 2 CYS N N 1.071 0.183 2.852 1.00 . A A . 2 CYS N 1 1 31 4041 1 1 2 CYS O O 0.552 3.115 0.835 1.00 . A A . 2 CYS O 1 1 31 4042 1 1 2 CYS SG S 1.836 3.542 4.473 1.00 . A A . 2 CYS SG 1 1 31 4043 1 1 3 LEU C C -1.627 1.591 -1.072 1.00 . A A . 3 LEU C 1 1 31 4044 1 1 3 LEU CA C -0.180 1.116 -0.940 1.00 . A A . 3 LEU CA 1 1 31 4045 1 1 3 LEU CB C 0.024 -0.192 -1.714 1.00 . A A . 3 LEU CB 1 1 31 4046 1 1 3 LEU CD1 C 1.221 0.124 -3.900 1.00 . A A . 3 LEU CD1 1 1 31 4047 1 1 3 LEU CD2 C 2.465 0.459 -1.758 1.00 . A A . 3 LEU CD2 1 1 31 4048 1 1 3 LEU CG C 1.362 -0.329 -2.456 1.00 . A A . 3 LEU CG 1 1 31 4049 1 1 3 LEU H H 0.163 0.034 0.848 1.00 . A A . 3 LEU H 1 1 31 4050 1 1 3 LEU HA H 0.472 1.873 -1.350 1.00 . A A . 3 LEU HA 1 1 31 4051 1 1 3 LEU HB2 H -0.059 -1.012 -1.015 1.00 . A A . 3 LEU HB2 1 1 31 4052 1 1 3 LEU HB3 H -0.772 -0.282 -2.439 1.00 . A A . 3 LEU HB3 1 1 31 4053 1 1 3 LEU HD11 H 2.075 -0.213 -4.468 1.00 . A A . 3 LEU HD11 1 1 31 4054 1 1 3 LEU HD12 H 1.168 1.202 -3.935 1.00 . A A . 3 LEU HD12 1 1 31 4055 1 1 3 LEU HD13 H 0.319 -0.294 -4.322 1.00 . A A . 3 LEU HD13 1 1 31 4056 1 1 3 LEU HD21 H 3.402 -0.069 -1.858 1.00 . A A . 3 LEU HD21 1 1 31 4057 1 1 3 LEU HD22 H 2.224 0.569 -0.711 1.00 . A A . 3 LEU HD22 1 1 31 4058 1 1 3 LEU HD23 H 2.552 1.435 -2.212 1.00 . A A . 3 LEU HD23 1 1 31 4059 1 1 3 LEU HG H 1.652 -1.370 -2.465 1.00 . A A . 3 LEU HG 1 1 31 4060 1 1 3 LEU N N 0.175 0.932 0.463 1.00 . A A . 3 LEU N 1 1 31 4061 1 1 3 LEU O O -2.388 1.565 -0.105 1.00 . A A . 3 LEU O 1 1 31 4062 1 1 4 PRO C C -4.456 1.528 -2.092 1.00 . A A . 4 PRO C 1 1 31 4063 1 1 4 PRO CA C -3.388 2.524 -2.529 1.00 . A A . 4 PRO CA 1 1 31 4064 1 1 4 PRO CB C -3.422 2.708 -4.047 1.00 . A A . 4 PRO CB 1 1 31 4065 1 1 4 PRO CD C -1.184 2.106 -3.485 1.00 . A A . 4 PRO CD 1 1 31 4066 1 1 4 PRO CG C -2.003 2.938 -4.431 1.00 . A A . 4 PRO CG 1 1 31 4067 1 1 4 PRO HA H -3.564 3.474 -2.045 1.00 . A A . 4 PRO HA 1 1 31 4068 1 1 4 PRO HB2 H -3.819 1.817 -4.511 1.00 . A A . 4 PRO HB2 1 1 31 4069 1 1 4 PRO HB3 H -4.041 3.557 -4.297 1.00 . A A . 4 PRO HB3 1 1 31 4070 1 1 4 PRO HD2 H -1.020 1.122 -3.896 1.00 . A A . 4 PRO HD2 1 1 31 4071 1 1 4 PRO HD3 H -0.242 2.591 -3.272 1.00 . A A . 4 PRO HD3 1 1 31 4072 1 1 4 PRO HG2 H -1.841 2.618 -5.450 1.00 . A A . 4 PRO HG2 1 1 31 4073 1 1 4 PRO HG3 H -1.756 3.984 -4.320 1.00 . A A . 4 PRO HG3 1 1 31 4074 1 1 4 PRO N N -2.026 2.038 -2.276 1.00 . A A . 4 PRO N 1 1 31 4075 1 1 4 PRO O O -5.584 1.911 -1.779 1.00 . A A . 4 PRO O 1 1 31 4076 1 1 5 TRP C C -4.346 -1.837 -0.800 1.00 . A A . 5 TRP C 1 1 31 4077 1 1 5 TRP CA C -5.031 -0.800 -1.686 1.00 . A A . 5 TRP CA 1 1 31 4078 1 1 5 TRP CB C -5.620 -1.478 -2.927 1.00 . A A . 5 TRP CB 1 1 31 4079 1 1 5 TRP CD1 C -3.592 -2.490 -4.123 1.00 . A A . 5 TRP CD1 1 1 31 4080 1 1 5 TRP CD2 C -4.615 -0.862 -5.269 1.00 . A A . 5 TRP CD2 1 1 31 4081 1 1 5 TRP CE2 C -3.526 -1.330 -6.029 1.00 . A A . 5 TRP CE2 1 1 31 4082 1 1 5 TRP CE3 C -5.408 0.165 -5.789 1.00 . A A . 5 TRP CE3 1 1 31 4083 1 1 5 TRP CG C -4.640 -1.619 -4.053 1.00 . A A . 5 TRP CG 1 1 31 4084 1 1 5 TRP CH2 C -4.005 0.198 -7.764 1.00 . A A . 5 TRP CH2 1 1 31 4085 1 1 5 TRP CZ2 C -3.212 -0.805 -7.280 1.00 . A A . 5 TRP CZ2 1 1 31 4086 1 1 5 TRP CZ3 C -5.095 0.684 -7.031 1.00 . A A . 5 TRP CZ3 1 1 31 4087 1 1 5 TRP H H -3.186 0.006 -2.343 1.00 . A A . 5 TRP H 1 1 31 4088 1 1 5 TRP HA H -5.830 -0.339 -1.126 1.00 . A A . 5 TRP HA 1 1 31 4089 1 1 5 TRP HB2 H -5.964 -2.466 -2.660 1.00 . A A . 5 TRP HB2 1 1 31 4090 1 1 5 TRP HB3 H -6.457 -0.895 -3.283 1.00 . A A . 5 TRP HB3 1 1 31 4091 1 1 5 TRP HD1 H -3.341 -3.202 -3.351 1.00 . A A . 5 TRP HD1 1 1 31 4092 1 1 5 TRP HE1 H -2.130 -2.833 -5.591 1.00 . A A . 5 TRP HE1 1 1 31 4093 1 1 5 TRP HE3 H -6.252 0.552 -5.238 1.00 . A A . 5 TRP HE3 1 1 31 4094 1 1 5 TRP HH2 H -3.797 0.635 -8.730 1.00 . A A . 5 TRP HH2 1 1 31 4095 1 1 5 TRP HZ2 H -2.375 -1.169 -7.858 1.00 . A A . 5 TRP HZ2 1 1 31 4096 1 1 5 TRP HZ3 H -5.696 1.478 -7.448 1.00 . A A . 5 TRP HZ3 1 1 31 4097 1 1 5 TRP N N -4.098 0.250 -2.079 1.00 . A A . 5 TRP N 1 1 31 4098 1 1 5 TRP NE1 N -2.918 -2.323 -5.308 1.00 . A A . 5 TRP NE1 1 1 31 4099 1 1 5 TRP O O -4.430 -3.039 -1.053 1.00 . A A . 5 TRP O 1 1 31 4100 1 1 6 SER C C -1.931 -3.090 0.428 1.00 . A A . 6 SER C 1 1 31 4101 1 1 6 SER CA C -2.969 -2.249 1.164 1.00 . A A . 6 SER CA 1 1 31 4102 1 1 6 SER CB C -3.965 -3.161 1.882 1.00 . A A . 6 SER CB 1 1 31 4103 1 1 6 SER H H -3.636 -0.395 0.390 1.00 . A A . 6 SER H 1 1 31 4104 1 1 6 SER HA H -2.464 -1.635 1.895 1.00 . A A . 6 SER HA 1 1 31 4105 1 1 6 SER HB2 H -4.700 -2.556 2.393 1.00 . A A . 6 SER HB2 1 1 31 4106 1 1 6 SER HB3 H -4.459 -3.792 1.158 1.00 . A A . 6 SER HB3 1 1 31 4107 1 1 6 SER HG H -3.638 -3.777 3.713 1.00 . A A . 6 SER HG 1 1 31 4108 1 1 6 SER N N -3.668 -1.363 0.240 1.00 . A A . 6 SER N 1 1 31 4109 1 1 6 SER O O -2.266 -4.087 -0.212 1.00 . A A . 6 SER O 1 1 31 4110 1 1 6 SER OG O -3.311 -3.982 2.833 1.00 . A A . 6 SER OG 1 1 31 4111 1 1 7 ASP C C 1.750 -2.705 0.140 1.00 . A A . 7 ASP C 1 1 31 4112 1 1 7 ASP CA C 0.417 -3.392 -0.133 1.00 . A A . 7 ASP CA 1 1 31 4113 1 1 7 ASP CB C 0.170 -3.475 -1.641 1.00 . A A . 7 ASP CB 1 1 31 4114 1 1 7 ASP CG C -0.369 -4.828 -2.065 1.00 . A A . 7 ASP CG 1 1 31 4115 1 1 7 ASP H H -0.466 -1.880 1.048 1.00 . A A . 7 ASP H 1 1 31 4116 1 1 7 ASP HA H 0.452 -4.392 0.273 1.00 . A A . 7 ASP HA 1 1 31 4117 1 1 7 ASP HB2 H -0.548 -2.719 -1.924 1.00 . A A . 7 ASP HB2 1 1 31 4118 1 1 7 ASP HB3 H 1.099 -3.298 -2.164 1.00 . A A . 7 ASP HB3 1 1 31 4119 1 1 7 ASP N N -0.670 -2.681 0.523 1.00 . A A . 7 ASP N 1 1 31 4120 1 1 7 ASP O O 1.862 -1.484 0.039 1.00 . A A . 7 ASP O 1 1 31 4121 1 1 7 ASP OD1 O -0.056 -5.829 -1.388 1.00 . A A . 7 ASP OD1 1 1 31 4122 1 1 7 ASP OD2 O -1.103 -4.885 -3.073 1.00 . A A . 7 ASP OD2 1 1 31 4123 1 1 8 GLY C C 4.089 -2.089 2.018 1.00 . A A . 8 GLY C 1 1 31 4124 1 1 8 GLY CA C 4.070 -2.954 0.772 1.00 . A A . 8 GLY CA 1 1 31 4125 1 1 8 GLY H H 2.600 -4.462 0.556 1.00 . A A . 8 GLY H 1 1 31 4126 1 1 8 GLY HA2 H 4.764 -3.771 0.903 1.00 . A A . 8 GLY HA2 1 1 31 4127 1 1 8 GLY HA3 H 4.388 -2.358 -0.071 1.00 . A A . 8 GLY HA3 1 1 31 4128 1 1 8 GLY N N 2.754 -3.498 0.489 1.00 . A A . 8 GLY N 1 1 31 4129 1 1 8 GLY O O 3.038 -1.679 2.508 1.00 . A A . 8 GLY O 1 1 31 4130 1 1 9 PRO C C 5.135 0.505 3.488 1.00 . A A . 9 PRO C 1 1 31 4131 1 1 9 PRO CA C 5.425 -0.967 3.760 1.00 . A A . 9 PRO CA 1 1 31 4132 1 1 9 PRO CB C 6.891 -1.159 4.149 1.00 . A A . 9 PRO CB 1 1 31 4133 1 1 9 PRO CD C 6.591 -2.240 2.037 1.00 . A A . 9 PRO CD 1 1 31 4134 1 1 9 PRO CG C 7.582 -1.470 2.867 1.00 . A A . 9 PRO CG 1 1 31 4135 1 1 9 PRO HA H 4.788 -1.317 4.559 1.00 . A A . 9 PRO HA 1 1 31 4136 1 1 9 PRO HB2 H 7.271 -0.251 4.594 1.00 . A A . 9 PRO HB2 1 1 31 4137 1 1 9 PRO HB3 H 6.977 -1.975 4.851 1.00 . A A . 9 PRO HB3 1 1 31 4138 1 1 9 PRO HD2 H 6.696 -1.987 0.993 1.00 . A A . 9 PRO HD2 1 1 31 4139 1 1 9 PRO HD3 H 6.720 -3.302 2.185 1.00 . A A . 9 PRO HD3 1 1 31 4140 1 1 9 PRO HG2 H 7.857 -0.553 2.367 1.00 . A A . 9 PRO HG2 1 1 31 4141 1 1 9 PRO HG3 H 8.458 -2.071 3.058 1.00 . A A . 9 PRO HG3 1 1 31 4142 1 1 9 PRO N N 5.284 -1.793 2.558 1.00 . A A . 9 PRO N 1 1 31 4143 1 1 9 PRO O O 4.647 0.864 2.416 1.00 . A A . 9 PRO O 1 1 31 4144 1 1 10 CYS C C 6.507 3.512 3.973 1.00 . A A . 10 CYS C 1 1 31 4145 1 1 10 CYS CA C 5.213 2.788 4.330 1.00 . A A . 10 CYS CA 1 1 31 4146 1 1 10 CYS CB C 4.637 3.359 5.627 1.00 . A A . 10 CYS CB 1 1 31 4147 1 1 10 CYS H H 5.827 1.007 5.295 1.00 . A A . 10 CYS H 1 1 31 4148 1 1 10 CYS HA H 4.499 2.937 3.534 1.00 . A A . 10 CYS HA 1 1 31 4149 1 1 10 CYS HB2 H 5.269 3.067 6.452 1.00 . A A . 10 CYS HB2 1 1 31 4150 1 1 10 CYS HB3 H 4.617 4.436 5.559 1.00 . A A . 10 CYS HB3 1 1 31 4151 1 1 10 CYS N N 5.440 1.354 4.465 1.00 . A A . 10 CYS N 1 1 31 4152 1 1 10 CYS O O 7.552 2.837 3.871 1.00 . A A . 10 CYS O 1 1 31 4153 1 1 10 CYS OXT O 6.463 4.748 3.798 1.00 . A A . 10 CYS OXT 1 1 31 4154 1 1 10 CYS SG S 2.944 2.795 6.001 1.00 . A A . 10 CYS SG 1 1 32 4155 1 1 1 ALA C C 2.327 5.066 2.028 1.00 . A A . 1 ALA C 1 1 32 4156 1 1 1 ALA CA C 2.246 6.160 3.087 1.00 . A A . 1 ALA CA 1 1 32 4157 1 1 1 ALA CB C 1.031 7.043 2.842 1.00 . A A . 1 ALA CB 1 1 32 4158 1 1 1 ALA H1 H 4.251 6.392 3.483 1.00 . A A . 1 ALA H1 1 1 32 4159 1 1 1 ALA H2 H 3.308 7.809 3.708 1.00 . A A . 1 ALA H2 1 1 32 4160 1 1 1 ALA H3 H 3.686 7.269 2.123 1.00 . A A . 1 ALA H3 1 1 32 4161 1 1 1 ALA HA H 2.133 5.698 4.057 1.00 . A A . 1 ALA HA 1 1 32 4162 1 1 1 ALA HB1 H 0.132 6.452 2.933 1.00 . A A . 1 ALA HB1 1 1 32 4163 1 1 1 ALA HB2 H 1.086 7.463 1.848 1.00 . A A . 1 ALA HB2 1 1 32 4164 1 1 1 ALA HB3 H 1.013 7.841 3.569 1.00 . A A . 1 ALA HB3 1 1 32 4165 1 1 1 ALA N N 3.484 6.981 3.102 1.00 . A A . 1 ALA N 1 1 32 4166 1 1 1 ALA O O 2.703 5.323 0.884 1.00 . A A . 1 ALA O 1 1 32 4167 1 1 2 CYS C C 0.697 2.603 0.730 1.00 . A A . 2 CYS C 1 1 32 4168 1 1 2 CYS CA C 2.004 2.714 1.513 1.00 . A A . 2 CYS CA 1 1 32 4169 1 1 2 CYS CB C 2.261 1.442 2.314 1.00 . A A . 2 CYS CB 1 1 32 4170 1 1 2 CYS H H 1.683 3.698 3.339 1.00 . A A . 2 CYS H 1 1 32 4171 1 1 2 CYS HA H 2.817 2.862 0.819 1.00 . A A . 2 CYS HA 1 1 32 4172 1 1 2 CYS HB2 H 2.371 1.705 3.356 1.00 . A A . 2 CYS HB2 1 1 32 4173 1 1 2 CYS HB3 H 1.418 0.786 2.208 1.00 . A A . 2 CYS HB3 1 1 32 4174 1 1 2 CYS N N 1.973 3.845 2.417 1.00 . A A . 2 CYS N 1 1 32 4175 1 1 2 CYS O O -0.078 3.557 0.662 1.00 . A A . 2 CYS O 1 1 32 4176 1 1 2 CYS SG S 3.761 0.534 1.819 1.00 . A A . 2 CYS SG 1 1 32 4177 1 1 3 LEU C C -1.624 0.136 0.004 1.00 . A A . 3 LEU C 1 1 32 4178 1 1 3 LEU CA C -0.753 1.211 -0.646 1.00 . A A . 3 LEU CA 1 1 32 4179 1 1 3 LEU CB C -0.407 0.790 -2.082 1.00 . A A . 3 LEU CB 1 1 32 4180 1 1 3 LEU CD1 C 1.293 0.108 -3.796 1.00 . A A . 3 LEU CD1 1 1 32 4181 1 1 3 LEU CD2 C 1.767 2.033 -2.276 1.00 . A A . 3 LEU CD2 1 1 32 4182 1 1 3 LEU CG C 1.088 0.679 -2.402 1.00 . A A . 3 LEU CG 1 1 32 4183 1 1 3 LEU H H 1.115 0.713 0.221 1.00 . A A . 3 LEU H 1 1 32 4184 1 1 3 LEU HA H -1.304 2.139 -0.677 1.00 . A A . 3 LEU HA 1 1 32 4185 1 1 3 LEU HB2 H -0.863 -0.169 -2.272 1.00 . A A . 3 LEU HB2 1 1 32 4186 1 1 3 LEU HB3 H -0.840 1.513 -2.758 1.00 . A A . 3 LEU HB3 1 1 32 4187 1 1 3 LEU HD11 H 0.494 0.441 -4.443 1.00 . A A . 3 LEU HD11 1 1 32 4188 1 1 3 LEU HD12 H 1.290 -0.971 -3.748 1.00 . A A . 3 LEU HD12 1 1 32 4189 1 1 3 LEU HD13 H 2.239 0.448 -4.189 1.00 . A A . 3 LEU HD13 1 1 32 4190 1 1 3 LEU HD21 H 2.193 2.130 -1.288 1.00 . A A . 3 LEU HD21 1 1 32 4191 1 1 3 LEU HD22 H 1.040 2.816 -2.433 1.00 . A A . 3 LEU HD22 1 1 32 4192 1 1 3 LEU HD23 H 2.550 2.113 -3.015 1.00 . A A . 3 LEU HD23 1 1 32 4193 1 1 3 LEU HG H 1.550 0.005 -1.695 1.00 . A A . 3 LEU HG 1 1 32 4194 1 1 3 LEU N N 0.460 1.437 0.135 1.00 . A A . 3 LEU N 1 1 32 4195 1 1 3 LEU O O -1.289 -1.046 -0.040 1.00 . A A . 3 LEU O 1 1 32 4196 1 1 4 PRO C C -4.080 -1.555 0.320 1.00 . A A . 4 PRO C 1 1 32 4197 1 1 4 PRO CA C -3.665 -0.429 1.260 1.00 . A A . 4 PRO CA 1 1 32 4198 1 1 4 PRO CB C -4.877 0.428 1.637 1.00 . A A . 4 PRO CB 1 1 32 4199 1 1 4 PRO CD C -3.251 1.911 0.712 1.00 . A A . 4 PRO CD 1 1 32 4200 1 1 4 PRO CG C -4.344 1.815 1.738 1.00 . A A . 4 PRO CG 1 1 32 4201 1 1 4 PRO HA H -3.225 -0.849 2.153 1.00 . A A . 4 PRO HA 1 1 32 4202 1 1 4 PRO HB2 H -5.630 0.348 0.866 1.00 . A A . 4 PRO HB2 1 1 32 4203 1 1 4 PRO HB3 H -5.280 0.091 2.580 1.00 . A A . 4 PRO HB3 1 1 32 4204 1 1 4 PRO HD2 H -3.649 2.248 -0.234 1.00 . A A . 4 PRO HD2 1 1 32 4205 1 1 4 PRO HD3 H -2.470 2.574 1.052 1.00 . A A . 4 PRO HD3 1 1 32 4206 1 1 4 PRO HG2 H -5.127 2.526 1.520 1.00 . A A . 4 PRO HG2 1 1 32 4207 1 1 4 PRO HG3 H -3.946 1.985 2.727 1.00 . A A . 4 PRO HG3 1 1 32 4208 1 1 4 PRO N N -2.758 0.525 0.612 1.00 . A A . 4 PRO N 1 1 32 4209 1 1 4 PRO O O -3.799 -2.727 0.574 1.00 . A A . 4 PRO O 1 1 32 4210 1 1 5 TRP C C -4.042 -2.978 -2.312 1.00 . A A . 5 TRP C 1 1 32 4211 1 1 5 TRP CA C -5.208 -2.162 -1.756 1.00 . A A . 5 TRP CA 1 1 32 4212 1 1 5 TRP CB C -5.943 -1.456 -2.901 1.00 . A A . 5 TRP CB 1 1 32 4213 1 1 5 TRP CD1 C -4.060 0.089 -3.701 1.00 . A A . 5 TRP CD1 1 1 32 4214 1 1 5 TRP CD2 C -5.988 1.140 -3.268 1.00 . A A . 5 TRP CD2 1 1 32 4215 1 1 5 TRP CE2 C -5.044 2.093 -3.696 1.00 . A A . 5 TRP CE2 1 1 32 4216 1 1 5 TRP CE3 C -7.276 1.570 -2.938 1.00 . A A . 5 TRP CE3 1 1 32 4217 1 1 5 TRP CG C -5.339 -0.137 -3.281 1.00 . A A . 5 TRP CG 1 1 32 4218 1 1 5 TRP CH2 C -6.617 3.840 -3.474 1.00 . A A . 5 TRP CH2 1 1 32 4219 1 1 5 TRP CZ2 C -5.349 3.447 -3.803 1.00 . A A . 5 TRP CZ2 1 1 32 4220 1 1 5 TRP CZ3 C -7.577 2.915 -3.044 1.00 . A A . 5 TRP CZ3 1 1 32 4221 1 1 5 TRP H H -4.940 -0.238 -0.909 1.00 . A A . 5 TRP H 1 1 32 4222 1 1 5 TRP HA H -5.895 -2.833 -1.262 1.00 . A A . 5 TRP HA 1 1 32 4223 1 1 5 TRP HB2 H -5.928 -2.091 -3.774 1.00 . A A . 5 TRP HB2 1 1 32 4224 1 1 5 TRP HB3 H -6.968 -1.282 -2.607 1.00 . A A . 5 TRP HB3 1 1 32 4225 1 1 5 TRP HD1 H -3.313 -0.682 -3.813 1.00 . A A . 5 TRP HD1 1 1 32 4226 1 1 5 TRP HE1 H -3.042 1.836 -4.270 1.00 . A A . 5 TRP HE1 1 1 32 4227 1 1 5 TRP HE3 H -8.029 0.872 -2.604 1.00 . A A . 5 TRP HE3 1 1 32 4228 1 1 5 TRP HH2 H -6.896 4.881 -3.540 1.00 . A A . 5 TRP HH2 1 1 32 4229 1 1 5 TRP HZ2 H -4.620 4.173 -4.133 1.00 . A A . 5 TRP HZ2 1 1 32 4230 1 1 5 TRP HZ3 H -8.567 3.266 -2.792 1.00 . A A . 5 TRP HZ3 1 1 32 4231 1 1 5 TRP N N -4.749 -1.188 -0.767 1.00 . A A . 5 TRP N 1 1 32 4232 1 1 5 TRP NE1 N -3.875 1.426 -3.955 1.00 . A A . 5 TRP NE1 1 1 32 4233 1 1 5 TRP O O -4.224 -4.108 -2.764 1.00 . A A . 5 TRP O 1 1 32 4234 1 1 6 SER C C -0.584 -3.150 -1.678 1.00 . A A . 6 SER C 1 1 32 4235 1 1 6 SER CA C -1.651 -3.074 -2.772 1.00 . A A . 6 SER CA 1 1 32 4236 1 1 6 SER CB C -1.119 -2.352 -4.016 1.00 . A A . 6 SER CB 1 1 32 4237 1 1 6 SER H H -2.761 -1.497 -1.900 1.00 . A A . 6 SER H 1 1 32 4238 1 1 6 SER HA H -1.926 -4.078 -3.045 1.00 . A A . 6 SER HA 1 1 32 4239 1 1 6 SER HB2 H -0.707 -1.397 -3.730 1.00 . A A . 6 SER HB2 1 1 32 4240 1 1 6 SER HB3 H -0.349 -2.953 -4.476 1.00 . A A . 6 SER HB3 1 1 32 4241 1 1 6 SER HG H -2.508 -2.983 -5.246 1.00 . A A . 6 SER HG 1 1 32 4242 1 1 6 SER N N -2.845 -2.399 -2.274 1.00 . A A . 6 SER N 1 1 32 4243 1 1 6 SER O O -0.904 -3.403 -0.518 1.00 . A A . 6 SER O 1 1 32 4244 1 1 6 SER OG O -2.152 -2.138 -4.962 1.00 . A A . 6 SER OG 1 1 32 4245 1 1 7 ASP C C 1.485 -2.193 0.156 1.00 . A A . 7 ASP C 1 1 32 4246 1 1 7 ASP CA C 1.790 -2.989 -1.109 1.00 . A A . 7 ASP CA 1 1 32 4247 1 1 7 ASP CB C 3.063 -2.452 -1.765 1.00 . A A . 7 ASP CB 1 1 32 4248 1 1 7 ASP CG C 3.339 -3.099 -3.107 1.00 . A A . 7 ASP CG 1 1 32 4249 1 1 7 ASP H H 0.862 -2.757 -2.988 1.00 . A A . 7 ASP H 1 1 32 4250 1 1 7 ASP HA H 1.947 -4.020 -0.838 1.00 . A A . 7 ASP HA 1 1 32 4251 1 1 7 ASP HB2 H 2.963 -1.387 -1.913 1.00 . A A . 7 ASP HB2 1 1 32 4252 1 1 7 ASP HB3 H 3.904 -2.643 -1.113 1.00 . A A . 7 ASP HB3 1 1 32 4253 1 1 7 ASP N N 0.676 -2.940 -2.053 1.00 . A A . 7 ASP N 1 1 32 4254 1 1 7 ASP O O 1.850 -1.024 0.273 1.00 . A A . 7 ASP O 1 1 32 4255 1 1 7 ASP OD1 O 2.802 -4.199 -3.358 1.00 . A A . 7 ASP OD1 1 1 32 4256 1 1 7 ASP OD2 O 4.093 -2.507 -3.908 1.00 . A A . 7 ASP OD2 1 1 32 4257 1 1 8 GLY C C 1.635 -2.056 3.291 1.00 . A A . 8 GLY C 1 1 32 4258 1 1 8 GLY CA C 0.455 -2.192 2.345 1.00 . A A . 8 GLY CA 1 1 32 4259 1 1 8 GLY H H 0.545 -3.769 0.934 1.00 . A A . 8 GLY H 1 1 32 4260 1 1 8 GLY HA2 H 0.067 -1.207 2.129 1.00 . A A . 8 GLY HA2 1 1 32 4261 1 1 8 GLY HA3 H -0.316 -2.771 2.831 1.00 . A A . 8 GLY HA3 1 1 32 4262 1 1 8 GLY N N 0.810 -2.840 1.096 1.00 . A A . 8 GLY N 1 1 32 4263 1 1 8 GLY O O 2.024 -0.942 3.640 1.00 . A A . 8 GLY O 1 1 32 4264 1 1 9 PRO C C 4.569 -2.413 4.066 1.00 . A A . 9 PRO C 1 1 32 4265 1 1 9 PRO CA C 3.373 -3.159 4.649 1.00 . A A . 9 PRO CA 1 1 32 4266 1 1 9 PRO CB C 3.711 -4.642 4.849 1.00 . A A . 9 PRO CB 1 1 32 4267 1 1 9 PRO CD C 1.835 -4.552 3.375 1.00 . A A . 9 PRO CD 1 1 32 4268 1 1 9 PRO CG C 3.061 -5.349 3.709 1.00 . A A . 9 PRO CG 1 1 32 4269 1 1 9 PRO HA H 3.107 -2.718 5.598 1.00 . A A . 9 PRO HA 1 1 32 4270 1 1 9 PRO HB2 H 4.784 -4.774 4.833 1.00 . A A . 9 PRO HB2 1 1 32 4271 1 1 9 PRO HB3 H 3.317 -4.979 5.796 1.00 . A A . 9 PRO HB3 1 1 32 4272 1 1 9 PRO HD2 H 1.610 -4.630 2.322 1.00 . A A . 9 PRO HD2 1 1 32 4273 1 1 9 PRO HD3 H 0.996 -4.880 3.970 1.00 . A A . 9 PRO HD3 1 1 32 4274 1 1 9 PRO HG2 H 3.732 -5.377 2.863 1.00 . A A . 9 PRO HG2 1 1 32 4275 1 1 9 PRO HG3 H 2.788 -6.351 4.005 1.00 . A A . 9 PRO HG3 1 1 32 4276 1 1 9 PRO N N 2.229 -3.179 3.731 1.00 . A A . 9 PRO N 1 1 32 4277 1 1 9 PRO O O 5.196 -2.874 3.112 1.00 . A A . 9 PRO O 1 1 32 4278 1 1 10 CYS C C 7.223 -0.655 5.078 1.00 . A A . 10 CYS C 1 1 32 4279 1 1 10 CYS CA C 6.000 -0.447 4.188 1.00 . A A . 10 CYS CA 1 1 32 4280 1 1 10 CYS CB C 5.611 1.033 4.169 1.00 . A A . 10 CYS CB 1 1 32 4281 1 1 10 CYS H H 4.341 -0.945 5.404 1.00 . A A . 10 CYS H 1 1 32 4282 1 1 10 CYS HA H 6.245 -0.758 3.184 1.00 . A A . 10 CYS HA 1 1 32 4283 1 1 10 CYS HB2 H 4.718 1.171 4.760 1.00 . A A . 10 CYS HB2 1 1 32 4284 1 1 10 CYS HB3 H 6.413 1.616 4.600 1.00 . A A . 10 CYS HB3 1 1 32 4285 1 1 10 CYS N N 4.879 -1.259 4.648 1.00 . A A . 10 CYS N 1 1 32 4286 1 1 10 CYS O O 7.271 -0.045 6.167 1.00 . A A . 10 CYS O 1 1 32 4287 1 1 10 CYS OXT O 8.120 -1.426 4.678 1.00 . A A . 10 CYS OXT 1 1 32 4288 1 1 10 CYS SG S 5.279 1.693 2.504 1.00 . A A . 10 CYS SG 1 1 33 4289 1 1 1 ALA C C 0.961 3.271 2.857 1.00 . A A . 1 ALA C 1 1 33 4290 1 1 1 ALA CA C 0.416 2.870 4.224 1.00 . A A . 1 ALA CA 1 1 33 4291 1 1 1 ALA CB C -0.588 1.735 4.081 1.00 . A A . 1 ALA CB 1 1 33 4292 1 1 1 ALA H1 H -0.827 4.508 4.218 1.00 . A A . 1 ALA H1 1 1 33 4293 1 1 1 ALA H2 H 0.550 4.658 5.231 1.00 . A A . 1 ALA H2 1 1 33 4294 1 1 1 ALA H3 H -0.765 3.664 5.709 1.00 . A A . 1 ALA H3 1 1 33 4295 1 1 1 ALA HA H 1.234 2.518 4.836 1.00 . A A . 1 ALA HA 1 1 33 4296 1 1 1 ALA HB1 H -1.591 2.136 4.114 1.00 . A A . 1 ALA HB1 1 1 33 4297 1 1 1 ALA HB2 H -0.455 1.032 4.889 1.00 . A A . 1 ALA HB2 1 1 33 4298 1 1 1 ALA HB3 H -0.433 1.233 3.138 1.00 . A A . 1 ALA HB3 1 1 33 4299 1 1 1 ALA N N -0.213 4.029 4.907 1.00 . A A . 1 ALA N 1 1 33 4300 1 1 1 ALA O O 0.955 4.448 2.497 1.00 . A A . 1 ALA O 1 1 33 4301 1 1 2 CYS C C 0.881 2.572 -0.269 1.00 . A A . 2 CYS C 1 1 33 4302 1 1 2 CYS CA C 1.976 2.525 0.779 1.00 . A A . 2 CYS CA 1 1 33 4303 1 1 2 CYS CB C 3.007 1.444 0.456 1.00 . A A . 2 CYS CB 1 1 33 4304 1 1 2 CYS H H 1.410 1.366 2.434 1.00 . A A . 2 CYS H 1 1 33 4305 1 1 2 CYS HA H 2.456 3.459 0.786 1.00 . A A . 2 CYS HA 1 1 33 4306 1 1 2 CYS HB2 H 3.084 0.775 1.300 1.00 . A A . 2 CYS HB2 1 1 33 4307 1 1 2 CYS HB3 H 2.678 0.889 -0.400 1.00 . A A . 2 CYS HB3 1 1 33 4308 1 1 2 CYS N N 1.430 2.285 2.099 1.00 . A A . 2 CYS N 1 1 33 4309 1 1 2 CYS O O 0.450 3.640 -0.704 1.00 . A A . 2 CYS O 1 1 33 4310 1 1 2 CYS SG S 4.679 2.082 0.114 1.00 . A A . 2 CYS SG 1 1 33 4311 1 1 3 LEU C C -1.967 1.078 -0.995 1.00 . A A . 3 LEU C 1 1 33 4312 1 1 3 LEU CA C -0.601 1.254 -1.659 1.00 . A A . 3 LEU CA 1 1 33 4313 1 1 3 LEU CB C -0.302 0.057 -2.563 1.00 . A A . 3 LEU CB 1 1 33 4314 1 1 3 LEU CD1 C 0.218 1.158 -4.756 1.00 . A A . 3 LEU CD1 1 1 33 4315 1 1 3 LEU CD2 C 2.006 0.934 -3.021 1.00 . A A . 3 LEU CD2 1 1 33 4316 1 1 3 LEU CG C 0.768 0.294 -3.632 1.00 . A A . 3 LEU CG 1 1 33 4317 1 1 3 LEU H H 0.855 0.621 -0.255 1.00 . A A . 3 LEU H 1 1 33 4318 1 1 3 LEU HA H -0.614 2.151 -2.258 1.00 . A A . 3 LEU HA 1 1 33 4319 1 1 3 LEU HB2 H 0.018 -0.763 -1.940 1.00 . A A . 3 LEU HB2 1 1 33 4320 1 1 3 LEU HB3 H -1.217 -0.228 -3.060 1.00 . A A . 3 LEU HB3 1 1 33 4321 1 1 3 LEU HD11 H 0.739 0.928 -5.674 1.00 . A A . 3 LEU HD11 1 1 33 4322 1 1 3 LEU HD12 H 0.360 2.200 -4.512 1.00 . A A . 3 LEU HD12 1 1 33 4323 1 1 3 LEU HD13 H -0.836 0.958 -4.881 1.00 . A A . 3 LEU HD13 1 1 33 4324 1 1 3 LEU HD21 H 2.432 0.267 -2.286 1.00 . A A . 3 LEU HD21 1 1 33 4325 1 1 3 LEU HD22 H 1.734 1.866 -2.547 1.00 . A A . 3 LEU HD22 1 1 33 4326 1 1 3 LEU HD23 H 2.733 1.125 -3.797 1.00 . A A . 3 LEU HD23 1 1 33 4327 1 1 3 LEU HG H 1.058 -0.657 -4.055 1.00 . A A . 3 LEU HG 1 1 33 4328 1 1 3 LEU N N 0.449 1.405 -0.657 1.00 . A A . 3 LEU N 1 1 33 4329 1 1 3 LEU O O -2.087 0.388 0.018 1.00 . A A . 3 LEU O 1 1 33 4330 1 1 4 PRO C C -4.894 0.172 -0.977 1.00 . A A . 4 PRO C 1 1 33 4331 1 1 4 PRO CA C -4.379 1.605 -1.008 1.00 . A A . 4 PRO CA 1 1 33 4332 1 1 4 PRO CB C -5.224 2.444 -1.975 1.00 . A A . 4 PRO CB 1 1 33 4333 1 1 4 PRO CD C -2.977 2.541 -2.766 1.00 . A A . 4 PRO CD 1 1 33 4334 1 1 4 PRO CG C -4.251 3.327 -2.675 1.00 . A A . 4 PRO CG 1 1 33 4335 1 1 4 PRO HA H -4.435 2.028 -0.016 1.00 . A A . 4 PRO HA 1 1 33 4336 1 1 4 PRO HB2 H -5.733 1.791 -2.669 1.00 . A A . 4 PRO HB2 1 1 33 4337 1 1 4 PRO HB3 H -5.948 3.019 -1.418 1.00 . A A . 4 PRO HB3 1 1 33 4338 1 1 4 PRO HD2 H -2.970 1.934 -3.660 1.00 . A A . 4 PRO HD2 1 1 33 4339 1 1 4 PRO HD3 H -2.125 3.202 -2.747 1.00 . A A . 4 PRO HD3 1 1 33 4340 1 1 4 PRO HG2 H -4.617 3.566 -3.663 1.00 . A A . 4 PRO HG2 1 1 33 4341 1 1 4 PRO HG3 H -4.095 4.230 -2.103 1.00 . A A . 4 PRO HG3 1 1 33 4342 1 1 4 PRO N N -3.020 1.700 -1.557 1.00 . A A . 4 PRO N 1 1 33 4343 1 1 4 PRO O O -5.376 -0.306 0.050 1.00 . A A . 4 PRO O 1 1 33 4344 1 1 5 TRP C C -4.094 -2.868 -2.111 1.00 . A A . 5 TRP C 1 1 33 4345 1 1 5 TRP CA C -5.255 -1.885 -2.228 1.00 . A A . 5 TRP CA 1 1 33 4346 1 1 5 TRP CB C -5.989 -2.097 -3.557 1.00 . A A . 5 TRP CB 1 1 33 4347 1 1 5 TRP CD1 C -4.218 -1.496 -5.309 1.00 . A A . 5 TRP CD1 1 1 33 4348 1 1 5 TRP CD2 C -6.027 -0.180 -5.347 1.00 . A A . 5 TRP CD2 1 1 33 4349 1 1 5 TRP CE2 C -5.139 0.250 -6.351 1.00 . A A . 5 TRP CE2 1 1 33 4350 1 1 5 TRP CE3 C -7.237 0.501 -5.182 1.00 . A A . 5 TRP CE3 1 1 33 4351 1 1 5 TRP CG C -5.420 -1.301 -4.694 1.00 . A A . 5 TRP CG 1 1 33 4352 1 1 5 TRP CH2 C -6.614 1.976 -7.000 1.00 . A A . 5 TRP CH2 1 1 33 4353 1 1 5 TRP CZ2 C -5.423 1.329 -7.184 1.00 . A A . 5 TRP CZ2 1 1 33 4354 1 1 5 TRP CZ3 C -7.517 1.572 -6.010 1.00 . A A . 5 TRP CZ3 1 1 33 4355 1 1 5 TRP H H -4.403 -0.065 -2.897 1.00 . A A . 5 TRP H 1 1 33 4356 1 1 5 TRP HA H -5.945 -2.068 -1.417 1.00 . A A . 5 TRP HA 1 1 33 4357 1 1 5 TRP HB2 H -5.937 -3.142 -3.826 1.00 . A A . 5 TRP HB2 1 1 33 4358 1 1 5 TRP HB3 H -7.025 -1.814 -3.437 1.00 . A A . 5 TRP HB3 1 1 33 4359 1 1 5 TRP HD1 H -3.517 -2.271 -5.039 1.00 . A A . 5 TRP HD1 1 1 33 4360 1 1 5 TRP HE1 H -3.259 -0.506 -6.894 1.00 . A A . 5 TRP HE1 1 1 33 4361 1 1 5 TRP HE3 H -7.944 0.204 -4.423 1.00 . A A . 5 TRP HE3 1 1 33 4362 1 1 5 TRP HH2 H -6.874 2.819 -7.624 1.00 . A A . 5 TRP HH2 1 1 33 4363 1 1 5 TRP HZ2 H -4.737 1.653 -7.953 1.00 . A A . 5 TRP HZ2 1 1 33 4364 1 1 5 TRP HZ3 H -8.447 2.110 -5.896 1.00 . A A . 5 TRP HZ3 1 1 33 4365 1 1 5 TRP N N -4.793 -0.506 -2.114 1.00 . A A . 5 TRP N 1 1 33 4366 1 1 5 TRP NE1 N -4.042 -0.570 -6.308 1.00 . A A . 5 TRP NE1 1 1 33 4367 1 1 5 TRP O O -4.143 -3.967 -2.663 1.00 . A A . 5 TRP O 1 1 33 4368 1 1 6 SER C C -0.802 -2.579 -0.407 1.00 . A A . 6 SER C 1 1 33 4369 1 1 6 SER CA C -1.881 -3.319 -1.191 1.00 . A A . 6 SER CA 1 1 33 4370 1 1 6 SER CB C -1.324 -3.780 -2.541 1.00 . A A . 6 SER CB 1 1 33 4371 1 1 6 SER H H -3.074 -1.582 -0.966 1.00 . A A . 6 SER H 1 1 33 4372 1 1 6 SER HA H -2.191 -4.184 -0.625 1.00 . A A . 6 SER HA 1 1 33 4373 1 1 6 SER HB2 H -2.011 -4.479 -2.993 1.00 . A A . 6 SER HB2 1 1 33 4374 1 1 6 SER HB3 H -1.203 -2.924 -3.189 1.00 . A A . 6 SER HB3 1 1 33 4375 1 1 6 SER HG H -0.157 -5.163 -1.789 1.00 . A A . 6 SER HG 1 1 33 4376 1 1 6 SER N N -3.053 -2.469 -1.385 1.00 . A A . 6 SER N 1 1 33 4377 1 1 6 SER O O 0.358 -2.538 -0.818 1.00 . A A . 6 SER O 1 1 33 4378 1 1 6 SER OG O -0.067 -4.415 -2.385 1.00 . A A . 6 SER OG 1 1 33 4379 1 1 7 ASP C C 1.148 -1.770 1.508 1.00 . A A . 7 ASP C 1 1 33 4380 1 1 7 ASP CA C -0.283 -1.238 1.588 1.00 . A A . 7 ASP CA 1 1 33 4381 1 1 7 ASP CB C -0.770 -1.267 3.041 1.00 . A A . 7 ASP CB 1 1 33 4382 1 1 7 ASP CG C -1.459 -2.569 3.407 1.00 . A A . 7 ASP CG 1 1 33 4383 1 1 7 ASP H H -2.141 -2.065 0.987 1.00 . A A . 7 ASP H 1 1 33 4384 1 1 7 ASP HA H -0.285 -0.214 1.245 1.00 . A A . 7 ASP HA 1 1 33 4385 1 1 7 ASP HB2 H 0.076 -1.135 3.699 1.00 . A A . 7 ASP HB2 1 1 33 4386 1 1 7 ASP HB3 H -1.468 -0.457 3.195 1.00 . A A . 7 ASP HB3 1 1 33 4387 1 1 7 ASP N N -1.199 -1.992 0.725 1.00 . A A . 7 ASP N 1 1 33 4388 1 1 7 ASP O O 2.024 -1.127 0.931 1.00 . A A . 7 ASP O 1 1 33 4389 1 1 7 ASP OD1 O -0.963 -3.639 2.998 1.00 . A A . 7 ASP OD1 1 1 33 4390 1 1 7 ASP OD2 O -2.496 -2.517 4.103 1.00 . A A . 7 ASP OD2 1 1 33 4391 1 1 8 GLY C C 3.639 -2.922 3.077 1.00 . A A . 8 GLY C 1 1 33 4392 1 1 8 GLY CA C 2.701 -3.539 2.054 1.00 . A A . 8 GLY CA 1 1 33 4393 1 1 8 GLY H H 0.641 -3.419 2.523 1.00 . A A . 8 GLY H 1 1 33 4394 1 1 8 GLY HA2 H 2.614 -4.596 2.254 1.00 . A A . 8 GLY HA2 1 1 33 4395 1 1 8 GLY HA3 H 3.123 -3.404 1.069 1.00 . A A . 8 GLY HA3 1 1 33 4396 1 1 8 GLY N N 1.377 -2.947 2.082 1.00 . A A . 8 GLY N 1 1 33 4397 1 1 8 GLY O O 3.503 -1.747 3.418 1.00 . A A . 8 GLY O 1 1 33 4398 1 1 9 PRO C C 6.581 -2.235 3.986 1.00 . A A . 9 PRO C 1 1 33 4399 1 1 9 PRO CA C 5.574 -3.213 4.581 1.00 . A A . 9 PRO CA 1 1 33 4400 1 1 9 PRO CB C 6.279 -4.490 5.042 1.00 . A A . 9 PRO CB 1 1 33 4401 1 1 9 PRO CD C 4.845 -5.113 3.236 1.00 . A A . 9 PRO CD 1 1 33 4402 1 1 9 PRO CG C 6.166 -5.420 3.885 1.00 . A A . 9 PRO CG 1 1 33 4403 1 1 9 PRO HA H 5.076 -2.750 5.421 1.00 . A A . 9 PRO HA 1 1 33 4404 1 1 9 PRO HB2 H 7.311 -4.270 5.275 1.00 . A A . 9 PRO HB2 1 1 33 4405 1 1 9 PRO HB3 H 5.782 -4.885 5.915 1.00 . A A . 9 PRO HB3 1 1 33 4406 1 1 9 PRO HD2 H 4.912 -5.238 2.165 1.00 . A A . 9 PRO HD2 1 1 33 4407 1 1 9 PRO HD3 H 4.069 -5.744 3.642 1.00 . A A . 9 PRO HD3 1 1 33 4408 1 1 9 PRO HG2 H 6.975 -5.244 3.191 1.00 . A A . 9 PRO HG2 1 1 33 4409 1 1 9 PRO HG3 H 6.183 -6.442 4.232 1.00 . A A . 9 PRO HG3 1 1 33 4410 1 1 9 PRO N N 4.611 -3.699 3.587 1.00 . A A . 9 PRO N 1 1 33 4411 1 1 9 PRO O O 7.701 -2.613 3.645 1.00 . A A . 9 PRO O 1 1 33 4412 1 1 10 CYS C C 7.830 0.756 4.416 1.00 . A A . 10 CYS C 1 1 33 4413 1 1 10 CYS CA C 7.044 0.057 3.312 1.00 . A A . 10 CYS CA 1 1 33 4414 1 1 10 CYS CB C 6.220 1.081 2.530 1.00 . A A . 10 CYS CB 1 1 33 4415 1 1 10 CYS H H 5.271 -0.734 4.155 1.00 . A A . 10 CYS H 1 1 33 4416 1 1 10 CYS HA H 7.739 -0.422 2.639 1.00 . A A . 10 CYS HA 1 1 33 4417 1 1 10 CYS HB2 H 5.263 1.207 3.014 1.00 . A A . 10 CYS HB2 1 1 33 4418 1 1 10 CYS HB3 H 6.743 2.026 2.528 1.00 . A A . 10 CYS HB3 1 1 33 4419 1 1 10 CYS N N 6.175 -0.975 3.865 1.00 . A A . 10 CYS N 1 1 33 4420 1 1 10 CYS O O 8.036 0.133 5.479 1.00 . A A . 10 CYS O 1 1 33 4421 1 1 10 CYS OXT O 8.233 1.920 4.209 1.00 . A A . 10 CYS OXT 1 1 33 4422 1 1 10 CYS SG S 5.906 0.616 0.796 1.00 . A A . 10 CYS SG 1 1 34 4423 1 1 1 ALA C C 2.357 4.727 1.239 1.00 . A A . 1 ALA C 1 1 34 4424 1 1 1 ALA CA C 2.758 6.071 1.836 1.00 . A A . 1 ALA CA 1 1 34 4425 1 1 1 ALA CB C 1.636 6.618 2.704 1.00 . A A . 1 ALA CB 1 1 34 4426 1 1 1 ALA H1 H 3.174 7.986 1.208 1.00 . A A . 1 ALA H1 1 1 34 4427 1 1 1 ALA H2 H 2.349 7.018 0.056 1.00 . A A . 1 ALA H2 1 1 34 4428 1 1 1 ALA H3 H 4.018 6.758 0.361 1.00 . A A . 1 ALA H3 1 1 34 4429 1 1 1 ALA HA H 3.627 5.929 2.462 1.00 . A A . 1 ALA HA 1 1 34 4430 1 1 1 ALA HB1 H 1.038 5.800 3.078 1.00 . A A . 1 ALA HB1 1 1 34 4431 1 1 1 ALA HB2 H 1.015 7.278 2.116 1.00 . A A . 1 ALA HB2 1 1 34 4432 1 1 1 ALA HB3 H 2.057 7.165 3.535 1.00 . A A . 1 ALA HB3 1 1 34 4433 1 1 1 ALA N N 3.106 7.046 0.769 1.00 . A A . 1 ALA N 1 1 34 4434 1 1 1 ALA O O 1.412 4.644 0.455 1.00 . A A . 1 ALA O 1 1 34 4435 1 1 2 CYS C C 1.355 2.060 0.930 1.00 . A A . 2 CYS C 1 1 34 4436 1 1 2 CYS CA C 2.849 2.328 1.118 1.00 . A A . 2 CYS CA 1 1 34 4437 1 1 2 CYS CB C 3.437 1.286 2.082 1.00 . A A . 2 CYS CB 1 1 34 4438 1 1 2 CYS H H 3.841 3.819 2.221 1.00 . A A . 2 CYS H 1 1 34 4439 1 1 2 CYS HA H 3.339 2.232 0.162 1.00 . A A . 2 CYS HA 1 1 34 4440 1 1 2 CYS HB2 H 2.657 0.613 2.400 1.00 . A A . 2 CYS HB2 1 1 34 4441 1 1 2 CYS HB3 H 4.183 0.732 1.547 1.00 . A A . 2 CYS HB3 1 1 34 4442 1 1 2 CYS N N 3.096 3.679 1.608 1.00 . A A . 2 CYS N 1 1 34 4443 1 1 2 CYS O O 0.523 2.565 1.683 1.00 . A A . 2 CYS O 1 1 34 4444 1 1 2 CYS SG S 4.238 1.949 3.585 1.00 . A A . 2 CYS SG 1 1 34 4445 1 1 3 LEU C C -1.027 0.262 0.837 1.00 . A A . 3 LEU C 1 1 34 4446 1 1 3 LEU CA C -0.360 0.918 -0.371 1.00 . A A . 3 LEU CA 1 1 34 4447 1 1 3 LEU CB C -0.427 -0.022 -1.578 1.00 . A A . 3 LEU CB 1 1 34 4448 1 1 3 LEU CD1 C -2.445 0.583 -2.923 1.00 . A A . 3 LEU CD1 1 1 34 4449 1 1 3 LEU CD2 C -0.405 2.025 -3.037 1.00 . A A . 3 LEU CD2 1 1 34 4450 1 1 3 LEU CG C -0.929 0.605 -2.880 1.00 . A A . 3 LEU CG 1 1 34 4451 1 1 3 LEU H H 1.738 0.888 -0.643 1.00 . A A . 3 LEU H 1 1 34 4452 1 1 3 LEU HA H -0.883 1.831 -0.609 1.00 . A A . 3 LEU HA 1 1 34 4453 1 1 3 LEU HB2 H 0.559 -0.410 -1.753 1.00 . A A . 3 LEU HB2 1 1 34 4454 1 1 3 LEU HB3 H -1.079 -0.847 -1.331 1.00 . A A . 3 LEU HB3 1 1 34 4455 1 1 3 LEU HD11 H -2.773 0.456 -3.944 1.00 . A A . 3 LEU HD11 1 1 34 4456 1 1 3 LEU HD12 H -2.829 1.511 -2.531 1.00 . A A . 3 LEU HD12 1 1 34 4457 1 1 3 LEU HD13 H -2.807 -0.241 -2.324 1.00 . A A . 3 LEU HD13 1 1 34 4458 1 1 3 LEU HD21 H -1.143 2.723 -2.671 1.00 . A A . 3 LEU HD21 1 1 34 4459 1 1 3 LEU HD22 H -0.207 2.222 -4.080 1.00 . A A . 3 LEU HD22 1 1 34 4460 1 1 3 LEU HD23 H 0.508 2.136 -2.469 1.00 . A A . 3 LEU HD23 1 1 34 4461 1 1 3 LEU HG H -0.565 0.020 -3.713 1.00 . A A . 3 LEU HG 1 1 34 4462 1 1 3 LEU N N 1.028 1.260 -0.080 1.00 . A A . 3 LEU N 1 1 34 4463 1 1 3 LEU O O -0.710 -0.874 1.188 1.00 . A A . 3 LEU O 1 1 34 4464 1 1 4 PRO C C -3.400 -0.863 2.385 1.00 . A A . 4 PRO C 1 1 34 4465 1 1 4 PRO CA C -2.671 0.448 2.668 1.00 . A A . 4 PRO CA 1 1 34 4466 1 1 4 PRO CB C -3.683 1.549 2.997 1.00 . A A . 4 PRO CB 1 1 34 4467 1 1 4 PRO CD C -2.403 2.334 1.149 1.00 . A A . 4 PRO CD 1 1 34 4468 1 1 4 PRO CG C -3.116 2.784 2.391 1.00 . A A . 4 PRO CG 1 1 34 4469 1 1 4 PRO HA H -2.001 0.311 3.504 1.00 . A A . 4 PRO HA 1 1 34 4470 1 1 4 PRO HB2 H -4.642 1.300 2.564 1.00 . A A . 4 PRO HB2 1 1 34 4471 1 1 4 PRO HB3 H -3.781 1.644 4.068 1.00 . A A . 4 PRO HB3 1 1 34 4472 1 1 4 PRO HD2 H -3.081 2.321 0.308 1.00 . A A . 4 PRO HD2 1 1 34 4473 1 1 4 PRO HD3 H -1.557 2.973 0.946 1.00 . A A . 4 PRO HD3 1 1 34 4474 1 1 4 PRO HG2 H -3.912 3.470 2.140 1.00 . A A . 4 PRO HG2 1 1 34 4475 1 1 4 PRO HG3 H -2.422 3.246 3.076 1.00 . A A . 4 PRO HG3 1 1 34 4476 1 1 4 PRO N N -1.963 0.970 1.494 1.00 . A A . 4 PRO N 1 1 34 4477 1 1 4 PRO O O -3.769 -1.586 3.310 1.00 . A A . 4 PRO O 1 1 34 4478 1 1 5 TRP C C -3.744 -2.994 -0.546 1.00 . A A . 5 TRP C 1 1 34 4479 1 1 5 TRP CA C -4.327 -2.380 0.726 1.00 . A A . 5 TRP CA 1 1 34 4480 1 1 5 TRP CB C -5.822 -2.091 0.528 1.00 . A A . 5 TRP CB 1 1 34 4481 1 1 5 TRP CD1 C -6.723 0.094 1.526 1.00 . A A . 5 TRP CD1 1 1 34 4482 1 1 5 TRP CD2 C -5.940 0.293 -0.561 1.00 . A A . 5 TRP CD2 1 1 34 4483 1 1 5 TRP CE2 C -6.399 1.552 -0.134 1.00 . A A . 5 TRP CE2 1 1 34 4484 1 1 5 TRP CE3 C -5.403 0.173 -1.844 1.00 . A A . 5 TRP CE3 1 1 34 4485 1 1 5 TRP CG C -6.157 -0.627 0.515 1.00 . A A . 5 TRP CG 1 1 34 4486 1 1 5 TRP CH2 C -5.806 2.536 -2.196 1.00 . A A . 5 TRP CH2 1 1 34 4487 1 1 5 TRP CZ2 C -6.337 2.683 -0.944 1.00 . A A . 5 TRP CZ2 1 1 34 4488 1 1 5 TRP CZ3 C -5.341 1.296 -2.649 1.00 . A A . 5 TRP CZ3 1 1 34 4489 1 1 5 TRP H H -3.319 -0.543 0.409 1.00 . A A . 5 TRP H 1 1 34 4490 1 1 5 TRP HA H -4.215 -3.089 1.533 1.00 . A A . 5 TRP HA 1 1 34 4491 1 1 5 TRP HB2 H -6.144 -2.513 -0.412 1.00 . A A . 5 TRP HB2 1 1 34 4492 1 1 5 TRP HB3 H -6.378 -2.552 1.331 1.00 . A A . 5 TRP HB3 1 1 34 4493 1 1 5 TRP HD1 H -7.007 -0.318 2.483 1.00 . A A . 5 TRP HD1 1 1 34 4494 1 1 5 TRP HE1 H -7.252 2.120 1.695 1.00 . A A . 5 TRP HE1 1 1 34 4495 1 1 5 TRP HE3 H -5.040 -0.774 -2.209 1.00 . A A . 5 TRP HE3 1 1 34 4496 1 1 5 TRP HH2 H -5.739 3.386 -2.859 1.00 . A A . 5 TRP HH2 1 1 34 4497 1 1 5 TRP HZ2 H -6.691 3.647 -0.609 1.00 . A A . 5 TRP HZ2 1 1 34 4498 1 1 5 TRP HZ3 H -4.930 1.221 -3.645 1.00 . A A . 5 TRP HZ3 1 1 34 4499 1 1 5 TRP N N -3.622 -1.160 1.107 1.00 . A A . 5 TRP N 1 1 34 4500 1 1 5 TRP NE1 N -6.871 1.406 1.144 1.00 . A A . 5 TRP NE1 1 1 34 4501 1 1 5 TRP O O -4.442 -3.694 -1.280 1.00 . A A . 5 TRP O 1 1 34 4502 1 1 6 SER C C -0.283 -3.159 -1.860 1.00 . A A . 6 SER C 1 1 34 4503 1 1 6 SER CA C -1.804 -3.272 -1.986 1.00 . A A . 6 SER CA 1 1 34 4504 1 1 6 SER CB C -2.307 -2.557 -3.246 1.00 . A A . 6 SER CB 1 1 34 4505 1 1 6 SER H H -1.954 -2.175 -0.186 1.00 . A A . 6 SER H 1 1 34 4506 1 1 6 SER HA H -2.057 -4.316 -2.060 1.00 . A A . 6 SER HA 1 1 34 4507 1 1 6 SER HB2 H -1.735 -1.656 -3.398 1.00 . A A . 6 SER HB2 1 1 34 4508 1 1 6 SER HB3 H -2.182 -3.208 -4.099 1.00 . A A . 6 SER HB3 1 1 34 4509 1 1 6 SER HG H -3.875 -1.486 -3.724 1.00 . A A . 6 SER HG 1 1 34 4510 1 1 6 SER N N -2.465 -2.736 -0.803 1.00 . A A . 6 SER N 1 1 34 4511 1 1 6 SER O O 0.275 -3.412 -0.794 1.00 . A A . 6 SER O 1 1 34 4512 1 1 6 SER OG O -3.676 -2.215 -3.132 1.00 . A A . 6 SER OG 1 1 34 4513 1 1 7 ASP C C 2.363 -1.780 -1.873 1.00 . A A . 7 ASP C 1 1 34 4514 1 1 7 ASP CA C 1.832 -2.670 -2.995 1.00 . A A . 7 ASP CA 1 1 34 4515 1 1 7 ASP CB C 2.276 -2.117 -4.351 1.00 . A A . 7 ASP CB 1 1 34 4516 1 1 7 ASP CG C 2.769 -3.205 -5.285 1.00 . A A . 7 ASP CG 1 1 34 4517 1 1 7 ASP H H -0.131 -2.634 -3.772 1.00 . A A . 7 ASP H 1 1 34 4518 1 1 7 ASP HA H 2.242 -3.653 -2.873 1.00 . A A . 7 ASP HA 1 1 34 4519 1 1 7 ASP HB2 H 1.441 -1.619 -4.820 1.00 . A A . 7 ASP HB2 1 1 34 4520 1 1 7 ASP HB3 H 3.076 -1.407 -4.201 1.00 . A A . 7 ASP HB3 1 1 34 4521 1 1 7 ASP N N 0.376 -2.800 -2.957 1.00 . A A . 7 ASP N 1 1 34 4522 1 1 7 ASP O O 2.680 -0.611 -2.092 1.00 . A A . 7 ASP O 1 1 34 4523 1 1 7 ASP OD1 O 2.428 -4.384 -5.055 1.00 . A A . 7 ASP OD1 1 1 34 4524 1 1 7 ASP OD2 O 3.497 -2.877 -6.246 1.00 . A A . 7 ASP OD2 1 1 34 4525 1 1 8 GLY C C 2.477 -2.151 1.786 1.00 . A A . 8 GLY C 1 1 34 4526 1 1 8 GLY CA C 2.960 -1.588 0.462 1.00 . A A . 8 GLY CA 1 1 34 4527 1 1 8 GLY H H 2.200 -3.279 -0.561 1.00 . A A . 8 GLY H 1 1 34 4528 1 1 8 GLY HA2 H 4.040 -1.605 0.447 1.00 . A A . 8 GLY HA2 1 1 34 4529 1 1 8 GLY HA3 H 2.625 -0.566 0.375 1.00 . A A . 8 GLY HA3 1 1 34 4530 1 1 8 GLY N N 2.464 -2.343 -0.674 1.00 . A A . 8 GLY N 1 1 34 4531 1 1 8 GLY O O 1.386 -1.810 2.245 1.00 . A A . 8 GLY O 1 1 34 4532 1 1 9 PRO C C 2.913 -2.615 4.855 1.00 . A A . 9 PRO C 1 1 34 4533 1 1 9 PRO CA C 2.903 -3.627 3.714 1.00 . A A . 9 PRO CA 1 1 34 4534 1 1 9 PRO CB C 3.983 -4.690 3.931 1.00 . A A . 9 PRO CB 1 1 34 4535 1 1 9 PRO CD C 4.590 -3.487 1.958 1.00 . A A . 9 PRO CD 1 1 34 4536 1 1 9 PRO CG C 5.156 -4.202 3.154 1.00 . A A . 9 PRO CG 1 1 34 4537 1 1 9 PRO HA H 1.934 -4.100 3.664 1.00 . A A . 9 PRO HA 1 1 34 4538 1 1 9 PRO HB2 H 4.210 -4.766 4.985 1.00 . A A . 9 PRO HB2 1 1 34 4539 1 1 9 PRO HB3 H 3.634 -5.642 3.562 1.00 . A A . 9 PRO HB3 1 1 34 4540 1 1 9 PRO HD2 H 5.218 -2.652 1.685 1.00 . A A . 9 PRO HD2 1 1 34 4541 1 1 9 PRO HD3 H 4.483 -4.168 1.127 1.00 . A A . 9 PRO HD3 1 1 34 4542 1 1 9 PRO HG2 H 5.738 -3.521 3.757 1.00 . A A . 9 PRO HG2 1 1 34 4543 1 1 9 PRO HG3 H 5.762 -5.038 2.838 1.00 . A A . 9 PRO HG3 1 1 34 4544 1 1 9 PRO N N 3.272 -3.023 2.430 1.00 . A A . 9 PRO N 1 1 34 4545 1 1 9 PRO O O 3.848 -2.573 5.654 1.00 . A A . 9 PRO O 1 1 34 4546 1 1 10 CYS C C 0.297 -0.597 6.384 1.00 . A A . 10 CYS C 1 1 34 4547 1 1 10 CYS CA C 1.751 -0.787 5.966 1.00 . A A . 10 CYS CA 1 1 34 4548 1 1 10 CYS CB C 2.332 0.542 5.481 1.00 . A A . 10 CYS CB 1 1 34 4549 1 1 10 CYS H H 1.151 -1.882 4.257 1.00 . A A . 10 CYS H 1 1 34 4550 1 1 10 CYS HA H 2.318 -1.126 6.820 1.00 . A A . 10 CYS HA 1 1 34 4551 1 1 10 CYS HB2 H 1.746 0.900 4.648 1.00 . A A . 10 CYS HB2 1 1 34 4552 1 1 10 CYS HB3 H 2.283 1.262 6.284 1.00 . A A . 10 CYS HB3 1 1 34 4553 1 1 10 CYS N N 1.865 -1.800 4.923 1.00 . A A . 10 CYS N 1 1 34 4554 1 1 10 CYS O O -0.148 -1.304 7.313 1.00 . A A . 10 CYS O 1 1 34 4555 1 1 10 CYS OXT O -0.385 0.256 5.779 1.00 . A A . 10 CYS OXT 1 1 34 4556 1 1 10 CYS SG S 4.067 0.439 4.931 1.00 . A A . 10 CYS SG 1 1 35 4557 1 1 1 ALA C C 1.994 3.382 2.145 1.00 . A A . 1 ALA C 1 1 35 4558 1 1 1 ALA CA C 2.091 4.462 3.216 1.00 . A A . 1 ALA CA 1 1 35 4559 1 1 1 ALA CB C 3.086 5.534 2.797 1.00 . A A . 1 ALA CB 1 1 35 4560 1 1 1 ALA H1 H 2.813 4.658 5.132 1.00 . A A . 1 ALA H1 1 1 35 4561 1 1 1 ALA H2 H 3.240 3.190 4.353 1.00 . A A . 1 ALA H2 1 1 35 4562 1 1 1 ALA H3 H 1.642 3.424 4.934 1.00 . A A . 1 ALA H3 1 1 35 4563 1 1 1 ALA HA H 1.123 4.929 3.327 1.00 . A A . 1 ALA HA 1 1 35 4564 1 1 1 ALA HB1 H 2.562 6.336 2.298 1.00 . A A . 1 ALA HB1 1 1 35 4565 1 1 1 ALA HB2 H 3.814 5.105 2.123 1.00 . A A . 1 ALA HB2 1 1 35 4566 1 1 1 ALA HB3 H 3.588 5.921 3.671 1.00 . A A . 1 ALA HB3 1 1 35 4567 1 1 1 ALA N N 2.482 3.881 4.527 1.00 . A A . 1 ALA N 1 1 35 4568 1 1 1 ALA O O 2.263 3.634 0.970 1.00 . A A . 1 ALA O 1 1 35 4569 1 1 2 CYS C C 0.640 1.409 0.437 1.00 . A A . 2 CYS C 1 1 35 4570 1 1 2 CYS CA C 1.493 1.047 1.653 1.00 . A A . 2 CYS CA 1 1 35 4571 1 1 2 CYS CB C 0.879 -0.165 2.369 1.00 . A A . 2 CYS CB 1 1 35 4572 1 1 2 CYS H H 1.434 2.033 3.505 1.00 . A A . 2 CYS H 1 1 35 4573 1 1 2 CYS HA H 2.484 0.785 1.314 1.00 . A A . 2 CYS HA 1 1 35 4574 1 1 2 CYS HB2 H -0.008 -0.479 1.846 1.00 . A A . 2 CYS HB2 1 1 35 4575 1 1 2 CYS HB3 H 1.600 -0.956 2.343 1.00 . A A . 2 CYS HB3 1 1 35 4576 1 1 2 CYS N N 1.619 2.174 2.561 1.00 . A A . 2 CYS N 1 1 35 4577 1 1 2 CYS O O 0.198 2.548 0.289 1.00 . A A . 2 CYS O 1 1 35 4578 1 1 2 CYS SG S 0.425 0.081 4.123 1.00 . A A . 2 CYS SG 1 1 35 4579 1 1 3 LEU C C -1.790 1.138 -1.275 1.00 . A A . 3 LEU C 1 1 35 4580 1 1 3 LEU CA C -0.390 0.640 -1.631 1.00 . A A . 3 LEU CA 1 1 35 4581 1 1 3 LEU CB C -0.481 -0.656 -2.442 1.00 . A A . 3 LEU CB 1 1 35 4582 1 1 3 LEU CD1 C 1.863 -1.036 -3.244 1.00 . A A . 3 LEU CD1 1 1 35 4583 1 1 3 LEU CD2 C -0.072 -1.751 -4.659 1.00 . A A . 3 LEU CD2 1 1 35 4584 1 1 3 LEU CG C 0.436 -0.718 -3.664 1.00 . A A . 3 LEU CG 1 1 35 4585 1 1 3 LEU H H 0.785 -0.462 -0.257 1.00 . A A . 3 LEU H 1 1 35 4586 1 1 3 LEU HA H 0.104 1.392 -2.228 1.00 . A A . 3 LEU HA 1 1 35 4587 1 1 3 LEU HB2 H -0.235 -1.481 -1.790 1.00 . A A . 3 LEU HB2 1 1 35 4588 1 1 3 LEU HB3 H -1.500 -0.777 -2.779 1.00 . A A . 3 LEU HB3 1 1 35 4589 1 1 3 LEU HD11 H 1.977 -2.104 -3.137 1.00 . A A . 3 LEU HD11 1 1 35 4590 1 1 3 LEU HD12 H 2.076 -0.555 -2.301 1.00 . A A . 3 LEU HD12 1 1 35 4591 1 1 3 LEU HD13 H 2.549 -0.674 -3.996 1.00 . A A . 3 LEU HD13 1 1 35 4592 1 1 3 LEU HD21 H -0.181 -2.704 -4.164 1.00 . A A . 3 LEU HD21 1 1 35 4593 1 1 3 LEU HD22 H 0.634 -1.845 -5.471 1.00 . A A . 3 LEU HD22 1 1 35 4594 1 1 3 LEU HD23 H -1.029 -1.435 -5.048 1.00 . A A . 3 LEU HD23 1 1 35 4595 1 1 3 LEU HG H 0.439 0.246 -4.153 1.00 . A A . 3 LEU HG 1 1 35 4596 1 1 3 LEU N N 0.410 0.427 -0.430 1.00 . A A . 3 LEU N 1 1 35 4597 1 1 3 LEU O O -2.150 1.214 -0.100 1.00 . A A . 3 LEU O 1 1 35 4598 1 1 4 PRO C C -4.833 0.958 -1.351 1.00 . A A . 4 PRO C 1 1 35 4599 1 1 4 PRO CA C -3.967 1.976 -2.079 1.00 . A A . 4 PRO CA 1 1 35 4600 1 1 4 PRO CB C -4.495 2.200 -3.501 1.00 . A A . 4 PRO CB 1 1 35 4601 1 1 4 PRO CD C -2.255 1.424 -3.721 1.00 . A A . 4 PRO CD 1 1 35 4602 1 1 4 PRO CG C -3.277 2.325 -4.348 1.00 . A A . 4 PRO CG 1 1 35 4603 1 1 4 PRO HA H -3.974 2.910 -1.536 1.00 . A A . 4 PRO HA 1 1 35 4604 1 1 4 PRO HB2 H -5.098 1.354 -3.799 1.00 . A A . 4 PRO HB2 1 1 35 4605 1 1 4 PRO HB3 H -5.089 3.100 -3.529 1.00 . A A . 4 PRO HB3 1 1 35 4606 1 1 4 PRO HD2 H -2.355 0.417 -4.101 1.00 . A A . 4 PRO HD2 1 1 35 4607 1 1 4 PRO HD3 H -1.259 1.800 -3.895 1.00 . A A . 4 PRO HD3 1 1 35 4608 1 1 4 PRO HG2 H -3.495 2.003 -5.356 1.00 . A A . 4 PRO HG2 1 1 35 4609 1 1 4 PRO HG3 H -2.929 3.347 -4.345 1.00 . A A . 4 PRO HG3 1 1 35 4610 1 1 4 PRO N N -2.600 1.485 -2.290 1.00 . A A . 4 PRO N 1 1 35 4611 1 1 4 PRO O O -5.753 1.317 -0.616 1.00 . A A . 4 PRO O 1 1 35 4612 1 1 5 TRP C C -4.401 -2.157 0.051 1.00 . A A . 5 TRP C 1 1 35 4613 1 1 5 TRP CA C -5.276 -1.401 -0.943 1.00 . A A . 5 TRP CA 1 1 35 4614 1 1 5 TRP CB C -5.804 -2.361 -2.012 1.00 . A A . 5 TRP CB 1 1 35 4615 1 1 5 TRP CD1 C -3.587 -2.972 -3.141 1.00 . A A . 5 TRP CD1 1 1 35 4616 1 1 5 TRP CD2 C -5.159 -2.233 -4.551 1.00 . A A . 5 TRP CD2 1 1 35 4617 1 1 5 TRP CE2 C -4.000 -2.536 -5.290 1.00 . A A . 5 TRP CE2 1 1 35 4618 1 1 5 TRP CE3 C -6.282 -1.750 -5.227 1.00 . A A . 5 TRP CE3 1 1 35 4619 1 1 5 TRP CG C -4.875 -2.525 -3.178 1.00 . A A . 5 TRP CG 1 1 35 4620 1 1 5 TRP CH2 C -5.048 -1.895 -7.307 1.00 . A A . 5 TRP CH2 1 1 35 4621 1 1 5 TRP CZ2 C -3.933 -2.370 -6.671 1.00 . A A . 5 TRP CZ2 1 1 35 4622 1 1 5 TRP CZ3 C -6.215 -1.585 -6.598 1.00 . A A . 5 TRP CZ3 1 1 35 4623 1 1 5 TRP H H -3.788 -0.532 -2.168 1.00 . A A . 5 TRP H 1 1 35 4624 1 1 5 TRP HA H -6.113 -0.969 -0.414 1.00 . A A . 5 TRP HA 1 1 35 4625 1 1 5 TRP HB2 H -5.956 -3.334 -1.569 1.00 . A A . 5 TRP HB2 1 1 35 4626 1 1 5 TRP HB3 H -6.748 -1.990 -2.385 1.00 . A A . 5 TRP HB3 1 1 35 4627 1 1 5 TRP HD1 H -3.074 -3.270 -2.239 1.00 . A A . 5 TRP HD1 1 1 35 4628 1 1 5 TRP HE1 H -2.145 -3.270 -4.640 1.00 . A A . 5 TRP HE1 1 1 35 4629 1 1 5 TRP HE3 H -7.189 -1.504 -4.696 1.00 . A A . 5 TRP HE3 1 1 35 4630 1 1 5 TRP HH2 H -5.040 -1.750 -8.377 1.00 . A A . 5 TRP HH2 1 1 35 4631 1 1 5 TRP HZ2 H -3.041 -2.605 -7.233 1.00 . A A . 5 TRP HZ2 1 1 35 4632 1 1 5 TRP HZ3 H -7.073 -1.212 -7.136 1.00 . A A . 5 TRP HZ3 1 1 35 4633 1 1 5 TRP N N -4.531 -0.315 -1.568 1.00 . A A . 5 TRP N 1 1 35 4634 1 1 5 TRP NE1 N -3.054 -2.985 -4.407 1.00 . A A . 5 TRP NE1 1 1 35 4635 1 1 5 TRP O O -4.617 -3.342 0.307 1.00 . A A . 5 TRP O 1 1 35 4636 1 1 6 SER C C -1.723 -3.217 0.945 1.00 . A A . 6 SER C 1 1 35 4637 1 1 6 SER CA C -2.504 -2.070 1.576 1.00 . A A . 6 SER CA 1 1 35 4638 1 1 6 SER CB C -3.280 -2.574 2.792 1.00 . A A . 6 SER CB 1 1 35 4639 1 1 6 SER H H -3.291 -0.523 0.366 1.00 . A A . 6 SER H 1 1 35 4640 1 1 6 SER HA H -1.807 -1.310 1.895 1.00 . A A . 6 SER HA 1 1 35 4641 1 1 6 SER HB2 H -4.080 -1.885 3.017 1.00 . A A . 6 SER HB2 1 1 35 4642 1 1 6 SER HB3 H -3.693 -3.547 2.574 1.00 . A A . 6 SER HB3 1 1 35 4643 1 1 6 SER HG H -2.593 -1.934 4.512 1.00 . A A . 6 SER HG 1 1 35 4644 1 1 6 SER N N -3.413 -1.464 0.610 1.00 . A A . 6 SER N 1 1 35 4645 1 1 6 SER O O -2.197 -4.353 0.897 1.00 . A A . 6 SER O 1 1 35 4646 1 1 6 SER OG O -2.438 -2.679 3.927 1.00 . A A . 6 SER OG 1 1 35 4647 1 1 7 ASP C C 1.772 -3.430 -0.235 1.00 . A A . 7 ASP C 1 1 35 4648 1 1 7 ASP CA C 0.328 -3.915 -0.166 1.00 . A A . 7 ASP CA 1 1 35 4649 1 1 7 ASP CB C -0.182 -4.240 -1.571 1.00 . A A . 7 ASP CB 1 1 35 4650 1 1 7 ASP CG C 0.455 -5.492 -2.142 1.00 . A A . 7 ASP CG 1 1 35 4651 1 1 7 ASP H H -0.203 -1.989 0.532 1.00 . A A . 7 ASP H 1 1 35 4652 1 1 7 ASP HA H 0.289 -4.809 0.438 1.00 . A A . 7 ASP HA 1 1 35 4653 1 1 7 ASP HB2 H -1.251 -4.389 -1.534 1.00 . A A . 7 ASP HB2 1 1 35 4654 1 1 7 ASP HB3 H 0.039 -3.413 -2.228 1.00 . A A . 7 ASP HB3 1 1 35 4655 1 1 7 ASP N N -0.524 -2.912 0.462 1.00 . A A . 7 ASP N 1 1 35 4656 1 1 7 ASP O O 2.064 -2.408 -0.857 1.00 . A A . 7 ASP O 1 1 35 4657 1 1 7 ASP OD1 O -0.037 -6.599 -1.841 1.00 . A A . 7 ASP OD1 1 1 35 4658 1 1 7 ASP OD2 O 1.447 -5.364 -2.890 1.00 . A A . 7 ASP OD2 1 1 35 4659 1 1 8 GLY C C 4.492 -3.118 1.702 1.00 . A A . 8 GLY C 1 1 35 4660 1 1 8 GLY CA C 4.072 -3.795 0.409 1.00 . A A . 8 GLY CA 1 1 35 4661 1 1 8 GLY H H 2.378 -4.970 0.889 1.00 . A A . 8 GLY H 1 1 35 4662 1 1 8 GLY HA2 H 4.670 -4.684 0.269 1.00 . A A . 8 GLY HA2 1 1 35 4663 1 1 8 GLY HA3 H 4.252 -3.119 -0.414 1.00 . A A . 8 GLY HA3 1 1 35 4664 1 1 8 GLY N N 2.670 -4.168 0.409 1.00 . A A . 8 GLY N 1 1 35 4665 1 1 8 GLY O O 4.010 -3.479 2.776 1.00 . A A . 8 GLY O 1 1 35 4666 1 1 9 PRO C C 4.795 -0.506 3.419 1.00 . A A . 9 PRO C 1 1 35 4667 1 1 9 PRO CA C 5.870 -1.406 2.819 1.00 . A A . 9 PRO CA 1 1 35 4668 1 1 9 PRO CB C 7.032 -0.566 2.285 1.00 . A A . 9 PRO CB 1 1 35 4669 1 1 9 PRO CD C 6.026 -1.628 0.395 1.00 . A A . 9 PRO CD 1 1 35 4670 1 1 9 PRO CG C 6.726 -0.374 0.840 1.00 . A A . 9 PRO CG 1 1 35 4671 1 1 9 PRO HA H 6.232 -2.087 3.576 1.00 . A A . 9 PRO HA 1 1 35 4672 1 1 9 PRO HB2 H 7.070 0.377 2.811 1.00 . A A . 9 PRO HB2 1 1 35 4673 1 1 9 PRO HB3 H 7.960 -1.100 2.423 1.00 . A A . 9 PRO HB3 1 1 35 4674 1 1 9 PRO HD2 H 5.281 -1.398 -0.352 1.00 . A A . 9 PRO HD2 1 1 35 4675 1 1 9 PRO HD3 H 6.740 -2.342 0.012 1.00 . A A . 9 PRO HD3 1 1 35 4676 1 1 9 PRO HG2 H 6.080 0.482 0.713 1.00 . A A . 9 PRO HG2 1 1 35 4677 1 1 9 PRO HG3 H 7.643 -0.239 0.285 1.00 . A A . 9 PRO HG3 1 1 35 4678 1 1 9 PRO N N 5.396 -2.126 1.632 1.00 . A A . 9 PRO N 1 1 35 4679 1 1 9 PRO O O 4.232 0.347 2.733 1.00 . A A . 9 PRO O 1 1 35 4680 1 1 10 CYS C C 4.160 1.052 6.387 1.00 . A A . 10 CYS C 1 1 35 4681 1 1 10 CYS CA C 3.508 0.093 5.397 1.00 . A A . 10 CYS CA 1 1 35 4682 1 1 10 CYS CB C 2.521 -0.819 6.128 1.00 . A A . 10 CYS CB 1 1 35 4683 1 1 10 CYS H H 4.999 -1.397 5.198 1.00 . A A . 10 CYS H 1 1 35 4684 1 1 10 CYS HA H 2.973 0.668 4.656 1.00 . A A . 10 CYS HA 1 1 35 4685 1 1 10 CYS HB2 H 3.064 -1.639 6.575 1.00 . A A . 10 CYS HB2 1 1 35 4686 1 1 10 CYS HB3 H 2.030 -0.254 6.906 1.00 . A A . 10 CYS HB3 1 1 35 4687 1 1 10 CYS N N 4.516 -0.702 4.704 1.00 . A A . 10 CYS N 1 1 35 4688 1 1 10 CYS O O 3.857 2.262 6.325 1.00 . A A . 10 CYS O 1 1 35 4689 1 1 10 CYS OXT O 4.967 0.586 7.218 1.00 . A A . 10 CYS OXT 1 1 35 4690 1 1 10 CYS SG S 1.230 -1.532 5.058 1.00 . A A . 10 CYS SG 1 1 36 4691 1 1 1 ALA C C 1.537 4.131 2.254 1.00 . A A . 1 ALA C 1 1 36 4692 1 1 1 ALA CA C 1.102 5.273 3.166 1.00 . A A . 1 ALA CA 1 1 36 4693 1 1 1 ALA CB C -0.401 5.482 3.070 1.00 . A A . 1 ALA CB 1 1 36 4694 1 1 1 ALA H1 H 2.804 6.428 3.141 1.00 . A A . 1 ALA H1 1 1 36 4695 1 1 1 ALA H2 H 1.343 7.310 3.322 1.00 . A A . 1 ALA H2 1 1 36 4696 1 1 1 ALA H3 H 1.768 6.654 1.794 1.00 . A A . 1 ALA H3 1 1 36 4697 1 1 1 ALA HA H 1.340 5.013 4.187 1.00 . A A . 1 ALA HA 1 1 36 4698 1 1 1 ALA HB1 H -0.611 6.268 2.360 1.00 . A A . 1 ALA HB1 1 1 36 4699 1 1 1 ALA HB2 H -0.789 5.759 4.039 1.00 . A A . 1 ALA HB2 1 1 36 4700 1 1 1 ALA HB3 H -0.872 4.567 2.742 1.00 . A A . 1 ALA HB3 1 1 36 4701 1 1 1 ALA N N 1.819 6.530 2.825 1.00 . A A . 1 ALA N 1 1 36 4702 1 1 1 ALA O O 2.442 4.288 1.434 1.00 . A A . 1 ALA O 1 1 36 4703 1 1 2 CYS C C 0.408 1.821 0.294 1.00 . A A . 2 CYS C 1 1 36 4704 1 1 2 CYS CA C 1.196 1.815 1.602 1.00 . A A . 2 CYS CA 1 1 36 4705 1 1 2 CYS CB C 0.881 0.560 2.410 1.00 . A A . 2 CYS CB 1 1 36 4706 1 1 2 CYS H H 0.175 2.913 3.070 1.00 . A A . 2 CYS H 1 1 36 4707 1 1 2 CYS HA H 2.252 1.834 1.377 1.00 . A A . 2 CYS HA 1 1 36 4708 1 1 2 CYS HB2 H 0.520 0.855 3.384 1.00 . A A . 2 CYS HB2 1 1 36 4709 1 1 2 CYS HB3 H 0.112 0.004 1.907 1.00 . A A . 2 CYS HB3 1 1 36 4710 1 1 2 CYS N N 0.886 2.982 2.402 1.00 . A A . 2 CYS N 1 1 36 4711 1 1 2 CYS O O -0.124 2.853 -0.117 1.00 . A A . 2 CYS O 1 1 36 4712 1 1 2 CYS SG S 2.308 -0.544 2.669 1.00 . A A . 2 CYS SG 1 1 36 4713 1 1 3 LEU C C -1.818 1.046 -1.485 1.00 . A A . 3 LEU C 1 1 36 4714 1 1 3 LEU CA C -0.385 0.530 -1.617 1.00 . A A . 3 LEU CA 1 1 36 4715 1 1 3 LEU CB C -0.394 -0.936 -2.065 1.00 . A A . 3 LEU CB 1 1 36 4716 1 1 3 LEU CD1 C 0.247 -1.264 -4.467 1.00 . A A . 3 LEU CD1 1 1 36 4717 1 1 3 LEU CD2 C 1.969 -0.485 -2.829 1.00 . A A . 3 LEU CD2 1 1 36 4718 1 1 3 LEU CG C 0.728 -1.346 -3.029 1.00 . A A . 3 LEU CG 1 1 36 4719 1 1 3 LEU H H 0.782 -0.124 0.023 1.00 . A A . 3 LEU H 1 1 36 4720 1 1 3 LEU HA H 0.130 1.121 -2.359 1.00 . A A . 3 LEU HA 1 1 36 4721 1 1 3 LEU HB2 H -0.322 -1.556 -1.184 1.00 . A A . 3 LEU HB2 1 1 36 4722 1 1 3 LEU HB3 H -1.339 -1.136 -2.546 1.00 . A A . 3 LEU HB3 1 1 36 4723 1 1 3 LEU HD11 H 0.938 -1.791 -5.108 1.00 . A A . 3 LEU HD11 1 1 36 4724 1 1 3 LEU HD12 H 0.192 -0.229 -4.769 1.00 . A A . 3 LEU HD12 1 1 36 4725 1 1 3 LEU HD13 H -0.731 -1.715 -4.545 1.00 . A A . 3 LEU HD13 1 1 36 4726 1 1 3 LEU HD21 H 2.840 -1.023 -3.172 1.00 . A A . 3 LEU HD21 1 1 36 4727 1 1 3 LEU HD22 H 2.080 -0.251 -1.780 1.00 . A A . 3 LEU HD22 1 1 36 4728 1 1 3 LEU HD23 H 1.866 0.431 -3.393 1.00 . A A . 3 LEU HD23 1 1 36 4729 1 1 3 LEU HG H 1.001 -2.373 -2.832 1.00 . A A . 3 LEU HG 1 1 36 4730 1 1 3 LEU N N 0.337 0.662 -0.356 1.00 . A A . 3 LEU N 1 1 36 4731 1 1 3 LEU O O -2.307 1.268 -0.377 1.00 . A A . 3 LEU O 1 1 36 4732 1 1 4 PRO C C -4.818 0.866 -1.777 1.00 . A A . 4 PRO C 1 1 36 4733 1 1 4 PRO CA C -3.895 1.735 -2.624 1.00 . A A . 4 PRO CA 1 1 36 4734 1 1 4 PRO CB C -4.299 1.659 -4.099 1.00 . A A . 4 PRO CB 1 1 36 4735 1 1 4 PRO CD C -2.009 1.003 -3.983 1.00 . A A . 4 PRO CD 1 1 36 4736 1 1 4 PRO CG C -3.014 1.708 -4.849 1.00 . A A . 4 PRO CG 1 1 36 4737 1 1 4 PRO HA H -3.953 2.758 -2.283 1.00 . A A . 4 PRO HA 1 1 36 4738 1 1 4 PRO HB2 H -4.829 0.735 -4.283 1.00 . A A . 4 PRO HB2 1 1 36 4739 1 1 4 PRO HB3 H -4.932 2.498 -4.346 1.00 . A A . 4 PRO HB3 1 1 36 4740 1 1 4 PRO HD2 H -1.993 -0.054 -4.209 1.00 . A A . 4 PRO HD2 1 1 36 4741 1 1 4 PRO HD3 H -1.028 1.434 -4.114 1.00 . A A . 4 PRO HD3 1 1 36 4742 1 1 4 PRO HG2 H -3.119 1.198 -5.795 1.00 . A A . 4 PRO HG2 1 1 36 4743 1 1 4 PRO HG3 H -2.718 2.735 -5.005 1.00 . A A . 4 PRO HG3 1 1 36 4744 1 1 4 PRO N N -2.513 1.243 -2.619 1.00 . A A . 4 PRO N 1 1 36 4745 1 1 4 PRO O O -5.658 1.373 -1.034 1.00 . A A . 4 PRO O 1 1 36 4746 1 1 5 TRP C C -4.618 -2.167 -0.144 1.00 . A A . 5 TRP C 1 1 36 4747 1 1 5 TRP CA C -5.472 -1.394 -1.147 1.00 . A A . 5 TRP CA 1 1 36 4748 1 1 5 TRP CB C -6.185 -2.366 -2.099 1.00 . A A . 5 TRP CB 1 1 36 4749 1 1 5 TRP CD1 C -6.196 -1.838 -4.608 1.00 . A A . 5 TRP CD1 1 1 36 4750 1 1 5 TRP CD2 C -4.377 -2.940 -3.910 1.00 . A A . 5 TRP CD2 1 1 36 4751 1 1 5 TRP CE2 C -4.261 -2.714 -5.295 1.00 . A A . 5 TRP CE2 1 1 36 4752 1 1 5 TRP CE3 C -3.348 -3.616 -3.250 1.00 . A A . 5 TRP CE3 1 1 36 4753 1 1 5 TRP CG C -5.623 -2.373 -3.490 1.00 . A A . 5 TRP CG 1 1 36 4754 1 1 5 TRP CH2 C -2.165 -3.800 -5.357 1.00 . A A . 5 TRP CH2 1 1 36 4755 1 1 5 TRP CZ2 C -3.157 -3.141 -6.029 1.00 . A A . 5 TRP CZ2 1 1 36 4756 1 1 5 TRP CZ3 C -2.253 -4.039 -3.980 1.00 . A A . 5 TRP CZ3 1 1 36 4757 1 1 5 TRP H H -3.968 -0.788 -2.508 1.00 . A A . 5 TRP H 1 1 36 4758 1 1 5 TRP HA H -6.215 -0.829 -0.603 1.00 . A A . 5 TRP HA 1 1 36 4759 1 1 5 TRP HB2 H -6.108 -3.368 -1.706 1.00 . A A . 5 TRP HB2 1 1 36 4760 1 1 5 TRP HB3 H -7.228 -2.091 -2.163 1.00 . A A . 5 TRP HB3 1 1 36 4761 1 1 5 TRP HD1 H -7.150 -1.334 -4.620 1.00 . A A . 5 TRP HD1 1 1 36 4762 1 1 5 TRP HE1 H -5.576 -1.749 -6.613 1.00 . A A . 5 TRP HE1 1 1 36 4763 1 1 5 TRP HE3 H -3.398 -3.808 -2.189 1.00 . A A . 5 TRP HE3 1 1 36 4764 1 1 5 TRP HH2 H -1.291 -4.149 -5.888 1.00 . A A . 5 TRP HH2 1 1 36 4765 1 1 5 TRP HZ2 H -3.074 -2.964 -7.091 1.00 . A A . 5 TRP HZ2 1 1 36 4766 1 1 5 TRP HZ3 H -1.448 -4.565 -3.487 1.00 . A A . 5 TRP HZ3 1 1 36 4767 1 1 5 TRP N N -4.655 -0.447 -1.898 1.00 . A A . 5 TRP N 1 1 36 4768 1 1 5 TRP NE1 N -5.383 -2.040 -5.698 1.00 . A A . 5 TRP NE1 1 1 36 4769 1 1 5 TRP O O -4.749 -3.383 -0.004 1.00 . A A . 5 TRP O 1 1 36 4770 1 1 6 SER C C -2.019 -3.165 0.923 1.00 . A A . 6 SER C 1 1 36 4771 1 1 6 SER CA C -2.865 -2.058 1.546 1.00 . A A . 6 SER CA 1 1 36 4772 1 1 6 SER CB C -3.685 -2.618 2.710 1.00 . A A . 6 SER CB 1 1 36 4773 1 1 6 SER H H -3.687 -0.482 0.397 1.00 . A A . 6 SER H 1 1 36 4774 1 1 6 SER HA H -2.207 -1.289 1.920 1.00 . A A . 6 SER HA 1 1 36 4775 1 1 6 SER HB2 H -3.045 -2.744 3.570 1.00 . A A . 6 SER HB2 1 1 36 4776 1 1 6 SER HB3 H -4.480 -1.928 2.951 1.00 . A A . 6 SER HB3 1 1 36 4777 1 1 6 SER HG H -3.909 -4.547 2.968 1.00 . A A . 6 SER HG 1 1 36 4778 1 1 6 SER N N -3.743 -1.448 0.553 1.00 . A A . 6 SER N 1 1 36 4779 1 1 6 SER O O -2.508 -4.265 0.667 1.00 . A A . 6 SER O 1 1 36 4780 1 1 6 SER OG O -4.255 -3.872 2.378 1.00 . A A . 6 SER OG 1 1 36 4781 1 1 7 ASP C C 1.573 -3.242 -0.029 1.00 . A A . 7 ASP C 1 1 36 4782 1 1 7 ASP CA C 0.170 -3.829 0.088 1.00 . A A . 7 ASP CA 1 1 36 4783 1 1 7 ASP CB C -0.334 -4.268 -1.288 1.00 . A A . 7 ASP CB 1 1 36 4784 1 1 7 ASP CG C 0.564 -5.307 -1.931 1.00 . A A . 7 ASP CG 1 1 36 4785 1 1 7 ASP H H -0.418 -1.969 0.908 1.00 . A A . 7 ASP H 1 1 36 4786 1 1 7 ASP HA H 0.208 -4.689 0.737 1.00 . A A . 7 ASP HA 1 1 36 4787 1 1 7 ASP HB2 H -1.322 -4.690 -1.185 1.00 . A A . 7 ASP HB2 1 1 36 4788 1 1 7 ASP HB3 H -0.382 -3.408 -1.938 1.00 . A A . 7 ASP HB3 1 1 36 4789 1 1 7 ASP N N -0.748 -2.863 0.681 1.00 . A A . 7 ASP N 1 1 36 4790 1 1 7 ASP O O 1.771 -2.198 -0.651 1.00 . A A . 7 ASP O 1 1 36 4791 1 1 7 ASP OD1 O 0.701 -6.409 -1.360 1.00 . A A . 7 ASP OD1 1 1 36 4792 1 1 7 ASP OD2 O 1.131 -5.018 -3.006 1.00 . A A . 7 ASP OD2 1 1 36 4793 1 1 8 GLY C C 4.517 -3.273 1.911 1.00 . A A . 8 GLY C 1 1 36 4794 1 1 8 GLY CA C 3.918 -3.449 0.528 1.00 . A A . 8 GLY CA 1 1 36 4795 1 1 8 GLY H H 2.328 -4.744 1.057 1.00 . A A . 8 GLY H 1 1 36 4796 1 1 8 GLY HA2 H 4.512 -4.163 -0.022 1.00 . A A . 8 GLY HA2 1 1 36 4797 1 1 8 GLY HA3 H 3.945 -2.500 0.013 1.00 . A A . 8 GLY HA3 1 1 36 4798 1 1 8 GLY N N 2.545 -3.919 0.575 1.00 . A A . 8 GLY N 1 1 36 4799 1 1 8 GLY O O 3.811 -3.381 2.913 1.00 . A A . 8 GLY O 1 1 36 4800 1 1 9 PRO C C 6.137 -1.491 3.949 1.00 . A A . 9 PRO C 1 1 36 4801 1 1 9 PRO CA C 6.513 -2.810 3.282 1.00 . A A . 9 PRO CA 1 1 36 4802 1 1 9 PRO CB C 7.993 -2.813 2.899 1.00 . A A . 9 PRO CB 1 1 36 4803 1 1 9 PRO CD C 6.751 -2.852 0.855 1.00 . A A . 9 PRO CD 1 1 36 4804 1 1 9 PRO CG C 8.018 -2.342 1.486 1.00 . A A . 9 PRO CG 1 1 36 4805 1 1 9 PRO HA H 6.311 -3.625 3.961 1.00 . A A . 9 PRO HA 1 1 36 4806 1 1 9 PRO HB2 H 8.538 -2.143 3.549 1.00 . A A . 9 PRO HB2 1 1 36 4807 1 1 9 PRO HB3 H 8.389 -3.813 2.988 1.00 . A A . 9 PRO HB3 1 1 36 4808 1 1 9 PRO HD2 H 6.369 -2.134 0.144 1.00 . A A . 9 PRO HD2 1 1 36 4809 1 1 9 PRO HD3 H 6.924 -3.804 0.376 1.00 . A A . 9 PRO HD3 1 1 36 4810 1 1 9 PRO HG2 H 8.042 -1.263 1.459 1.00 . A A . 9 PRO HG2 1 1 36 4811 1 1 9 PRO HG3 H 8.879 -2.751 0.979 1.00 . A A . 9 PRO HG3 1 1 36 4812 1 1 9 PRO N N 5.830 -2.999 1.999 1.00 . A A . 9 PRO N 1 1 36 4813 1 1 9 PRO O O 6.466 -0.415 3.449 1.00 . A A . 9 PRO O 1 1 36 4814 1 1 10 CYS C C 4.945 -0.682 7.312 1.00 . A A . 10 CYS C 1 1 36 4815 1 1 10 CYS CA C 5.025 -0.395 5.816 1.00 . A A . 10 CYS CA 1 1 36 4816 1 1 10 CYS CB C 3.668 0.092 5.305 1.00 . A A . 10 CYS CB 1 1 36 4817 1 1 10 CYS H H 5.213 -2.468 5.429 1.00 . A A . 10 CYS H 1 1 36 4818 1 1 10 CYS HA H 5.760 0.377 5.648 1.00 . A A . 10 CYS HA 1 1 36 4819 1 1 10 CYS HB2 H 2.951 -0.712 5.385 1.00 . A A . 10 CYS HB2 1 1 36 4820 1 1 10 CYS HB3 H 3.339 0.922 5.914 1.00 . A A . 10 CYS HB3 1 1 36 4821 1 1 10 CYS N N 5.446 -1.582 5.080 1.00 . A A . 10 CYS N 1 1 36 4822 1 1 10 CYS O O 4.264 0.084 8.025 1.00 . A A . 10 CYS O 1 1 36 4823 1 1 10 CYS OXT O 5.566 -1.670 7.758 1.00 . A A . 10 CYS OXT 1 1 36 4824 1 1 10 CYS SG S 3.683 0.647 3.570 1.00 . A A . 10 CYS SG 1 1 37 4825 1 1 1 ALA C C 0.806 1.585 3.256 1.00 . A A . 1 ALA C 1 1 37 4826 1 1 1 ALA CA C 0.495 0.592 4.370 1.00 . A A . 1 ALA CA 1 1 37 4827 1 1 1 ALA CB C -0.777 -0.179 4.051 1.00 . A A . 1 ALA CB 1 1 37 4828 1 1 1 ALA H1 H -0.573 1.738 5.704 1.00 . A A . 1 ALA H1 1 1 37 4829 1 1 1 ALA H2 H 1.125 1.990 5.742 1.00 . A A . 1 ALA H2 1 1 37 4830 1 1 1 ALA H3 H 0.450 0.568 6.427 1.00 . A A . 1 ALA H3 1 1 37 4831 1 1 1 ALA HA H 1.307 -0.116 4.442 1.00 . A A . 1 ALA HA 1 1 37 4832 1 1 1 ALA HB1 H -1.614 0.283 4.554 1.00 . A A . 1 ALA HB1 1 1 37 4833 1 1 1 ALA HB2 H -0.673 -1.200 4.388 1.00 . A A . 1 ALA HB2 1 1 37 4834 1 1 1 ALA HB3 H -0.947 -0.168 2.984 1.00 . A A . 1 ALA HB3 1 1 37 4835 1 1 1 ALA N N 0.362 1.284 5.679 1.00 . A A . 1 ALA N 1 1 37 4836 1 1 1 ALA O O 0.185 2.644 3.163 1.00 . A A . 1 ALA O 1 1 37 4837 1 1 2 CYS C C 1.468 1.691 0.018 1.00 . A A . 2 CYS C 1 1 37 4838 1 1 2 CYS CA C 2.173 2.089 1.309 1.00 . A A . 2 CYS CA 1 1 37 4839 1 1 2 CYS CB C 3.681 1.991 1.138 1.00 . A A . 2 CYS CB 1 1 37 4840 1 1 2 CYS H H 2.236 0.384 2.535 1.00 . A A . 2 CYS H 1 1 37 4841 1 1 2 CYS HA H 1.907 3.102 1.555 1.00 . A A . 2 CYS HA 1 1 37 4842 1 1 2 CYS HB2 H 4.064 1.319 1.888 1.00 . A A . 2 CYS HB2 1 1 37 4843 1 1 2 CYS HB3 H 3.897 1.589 0.167 1.00 . A A . 2 CYS HB3 1 1 37 4844 1 1 2 CYS N N 1.773 1.237 2.413 1.00 . A A . 2 CYS N 1 1 37 4845 1 1 2 CYS O O 1.880 2.080 -1.075 1.00 . A A . 2 CYS O 1 1 37 4846 1 1 2 CYS SG S 4.566 3.574 1.314 1.00 . A A . 2 CYS SG 1 1 37 4847 1 1 3 LEU C C -1.837 0.849 -0.853 1.00 . A A . 3 LEU C 1 1 37 4848 1 1 3 LEU CA C -0.367 0.454 -0.992 1.00 . A A . 3 LEU CA 1 1 37 4849 1 1 3 LEU CB C -0.246 -1.065 -1.137 1.00 . A A . 3 LEU CB 1 1 37 4850 1 1 3 LEU CD1 C 1.541 -2.737 -1.689 1.00 . A A . 3 LEU CD1 1 1 37 4851 1 1 3 LEU CD2 C 0.037 -1.874 -3.492 1.00 . A A . 3 LEU CD2 1 1 37 4852 1 1 3 LEU CG C 0.755 -1.537 -2.194 1.00 . A A . 3 LEU CG 1 1 37 4853 1 1 3 LEU H H 0.137 0.644 1.056 1.00 . A A . 3 LEU H 1 1 37 4854 1 1 3 LEU HA H 0.041 0.923 -1.874 1.00 . A A . 3 LEU HA 1 1 37 4855 1 1 3 LEU HB2 H 0.050 -1.473 -0.182 1.00 . A A . 3 LEU HB2 1 1 37 4856 1 1 3 LEU HB3 H -1.218 -1.461 -1.392 1.00 . A A . 3 LEU HB3 1 1 37 4857 1 1 3 LEU HD11 H 1.557 -2.730 -0.610 1.00 . A A . 3 LEU HD11 1 1 37 4858 1 1 3 LEU HD12 H 2.553 -2.688 -2.064 1.00 . A A . 3 LEU HD12 1 1 37 4859 1 1 3 LEU HD13 H 1.073 -3.646 -2.037 1.00 . A A . 3 LEU HD13 1 1 37 4860 1 1 3 LEU HD21 H 0.108 -1.037 -4.171 1.00 . A A . 3 LEU HD21 1 1 37 4861 1 1 3 LEU HD22 H -1.002 -2.083 -3.285 1.00 . A A . 3 LEU HD22 1 1 37 4862 1 1 3 LEU HD23 H 0.496 -2.742 -3.943 1.00 . A A . 3 LEU HD23 1 1 37 4863 1 1 3 LEU HG H 1.457 -0.740 -2.396 1.00 . A A . 3 LEU HG 1 1 37 4864 1 1 3 LEU N N 0.407 0.914 0.157 1.00 . A A . 3 LEU N 1 1 37 4865 1 1 3 LEU O O -2.570 0.266 -0.054 1.00 . A A . 3 LEU O 1 1 37 4866 1 1 4 PRO C C -4.679 1.177 -1.797 1.00 . A A . 4 PRO C 1 1 37 4867 1 1 4 PRO CA C -3.684 2.312 -1.586 1.00 . A A . 4 PRO CA 1 1 37 4868 1 1 4 PRO CB C -3.768 3.312 -2.742 1.00 . A A . 4 PRO CB 1 1 37 4869 1 1 4 PRO CD C -1.493 2.603 -2.615 1.00 . A A . 4 PRO CD 1 1 37 4870 1 1 4 PRO CG C -2.369 3.779 -2.942 1.00 . A A . 4 PRO CG 1 1 37 4871 1 1 4 PRO HA H -3.904 2.814 -0.655 1.00 . A A . 4 PRO HA 1 1 37 4872 1 1 4 PRO HB2 H -4.149 2.815 -3.623 1.00 . A A . 4 PRO HB2 1 1 37 4873 1 1 4 PRO HB3 H -4.421 4.127 -2.471 1.00 . A A . 4 PRO HB3 1 1 37 4874 1 1 4 PRO HD2 H -1.310 2.011 -3.500 1.00 . A A . 4 PRO HD2 1 1 37 4875 1 1 4 PRO HD3 H -0.561 2.935 -2.181 1.00 . A A . 4 PRO HD3 1 1 37 4876 1 1 4 PRO HG2 H -2.225 4.080 -3.970 1.00 . A A . 4 PRO HG2 1 1 37 4877 1 1 4 PRO HG3 H -2.157 4.602 -2.275 1.00 . A A . 4 PRO HG3 1 1 37 4878 1 1 4 PRO N N -2.293 1.849 -1.631 1.00 . A A . 4 PRO N 1 1 37 4879 1 1 4 PRO O O -5.793 1.208 -1.274 1.00 . A A . 4 PRO O 1 1 37 4880 1 1 5 TRP C C -4.534 -2.261 -2.297 1.00 . A A . 5 TRP C 1 1 37 4881 1 1 5 TRP CA C -5.127 -0.969 -2.859 1.00 . A A . 5 TRP CA 1 1 37 4882 1 1 5 TRP CB C -5.342 -1.109 -4.371 1.00 . A A . 5 TRP CB 1 1 37 4883 1 1 5 TRP CD1 C -3.006 -1.025 -5.426 1.00 . A A . 5 TRP CD1 1 1 37 4884 1 1 5 TRP CD2 C -4.287 0.752 -5.889 1.00 . A A . 5 TRP CD2 1 1 37 4885 1 1 5 TRP CE2 C -3.041 0.919 -6.523 1.00 . A A . 5 TRP CE2 1 1 37 4886 1 1 5 TRP CE3 C -5.257 1.746 -6.039 1.00 . A A . 5 TRP CE3 1 1 37 4887 1 1 5 TRP CG C -4.245 -0.500 -5.194 1.00 . A A . 5 TRP CG 1 1 37 4888 1 1 5 TRP CH2 C -3.711 2.998 -7.422 1.00 . A A . 5 TRP CH2 1 1 37 4889 1 1 5 TRP CZ2 C -2.742 2.040 -7.293 1.00 . A A . 5 TRP CZ2 1 1 37 4890 1 1 5 TRP CZ3 C -4.959 2.859 -6.803 1.00 . A A . 5 TRP CZ3 1 1 37 4891 1 1 5 TRP H H -3.372 0.213 -2.961 1.00 . A A . 5 TRP H 1 1 37 4892 1 1 5 TRP HA H -6.082 -0.793 -2.387 1.00 . A A . 5 TRP HA 1 1 37 4893 1 1 5 TRP HB2 H -5.403 -2.156 -4.624 1.00 . A A . 5 TRP HB2 1 1 37 4894 1 1 5 TRP HB3 H -6.269 -0.624 -4.641 1.00 . A A . 5 TRP HB3 1 1 37 4895 1 1 5 TRP HD1 H -2.663 -1.969 -5.031 1.00 . A A . 5 TRP HD1 1 1 37 4896 1 1 5 TRP HE1 H -1.359 -0.335 -6.532 1.00 . A A . 5 TRP HE1 1 1 37 4897 1 1 5 TRP HE3 H -6.225 1.657 -5.568 1.00 . A A . 5 TRP HE3 1 1 37 4898 1 1 5 TRP HH2 H -3.521 3.884 -8.009 1.00 . A A . 5 TRP HH2 1 1 37 4899 1 1 5 TRP HZ2 H -1.784 2.162 -7.777 1.00 . A A . 5 TRP HZ2 1 1 37 4900 1 1 5 TRP HZ3 H -5.697 3.637 -6.929 1.00 . A A . 5 TRP HZ3 1 1 37 4901 1 1 5 TRP N N -4.270 0.178 -2.571 1.00 . A A . 5 TRP N 1 1 37 4902 1 1 5 TRP NE1 N -2.277 -0.178 -6.225 1.00 . A A . 5 TRP NE1 1 1 37 4903 1 1 5 TRP O O -4.956 -3.357 -2.665 1.00 . A A . 5 TRP O 1 1 37 4904 1 1 6 SER C C -2.272 -2.875 0.533 1.00 . A A . 6 SER C 1 1 37 4905 1 1 6 SER CA C -2.914 -3.278 -0.795 1.00 . A A . 6 SER CA 1 1 37 4906 1 1 6 SER CB C -1.872 -3.861 -1.757 1.00 . A A . 6 SER CB 1 1 37 4907 1 1 6 SER H H -3.259 -1.233 -1.146 1.00 . A A . 6 SER H 1 1 37 4908 1 1 6 SER HA H -3.672 -4.021 -0.603 1.00 . A A . 6 SER HA 1 1 37 4909 1 1 6 SER HB2 H -2.153 -3.627 -2.772 1.00 . A A . 6 SER HB2 1 1 37 4910 1 1 6 SER HB3 H -0.905 -3.430 -1.542 1.00 . A A . 6 SER HB3 1 1 37 4911 1 1 6 SER HG H -1.868 -5.512 -0.698 1.00 . A A . 6 SER HG 1 1 37 4912 1 1 6 SER N N -3.557 -2.127 -1.404 1.00 . A A . 6 SER N 1 1 37 4913 1 1 6 SER O O -2.790 -2.012 1.241 1.00 . A A . 6 SER O 1 1 37 4914 1 1 6 SER OG O -1.784 -5.270 -1.623 1.00 . A A . 6 SER OG 1 1 37 4915 1 1 7 ASP C C 0.948 -2.636 1.820 1.00 . A A . 7 ASP C 1 1 37 4916 1 1 7 ASP CA C -0.446 -3.190 2.107 1.00 . A A . 7 ASP CA 1 1 37 4917 1 1 7 ASP CB C -0.352 -4.439 2.987 1.00 . A A . 7 ASP CB 1 1 37 4918 1 1 7 ASP CG C -1.587 -4.635 3.846 1.00 . A A . 7 ASP CG 1 1 37 4919 1 1 7 ASP H H -0.782 -4.168 0.263 1.00 . A A . 7 ASP H 1 1 37 4920 1 1 7 ASP HA H -1.016 -2.436 2.629 1.00 . A A . 7 ASP HA 1 1 37 4921 1 1 7 ASP HB2 H -0.234 -5.308 2.357 1.00 . A A . 7 ASP HB2 1 1 37 4922 1 1 7 ASP HB3 H 0.506 -4.350 3.637 1.00 . A A . 7 ASP HB3 1 1 37 4923 1 1 7 ASP N N -1.148 -3.495 0.865 1.00 . A A . 7 ASP N 1 1 37 4924 1 1 7 ASP O O 1.138 -1.421 1.761 1.00 . A A . 7 ASP O 1 1 37 4925 1 1 7 ASP OD1 O -1.620 -4.093 4.970 1.00 . A A . 7 ASP OD1 1 1 37 4926 1 1 7 ASP OD2 O -2.520 -5.331 3.393 1.00 . A A . 7 ASP OD2 1 1 37 4927 1 1 8 GLY C C 3.753 -1.973 2.247 1.00 . A A . 8 GLY C 1 1 37 4928 1 1 8 GLY CA C 3.284 -3.109 1.353 1.00 . A A . 8 GLY CA 1 1 37 4929 1 1 8 GLY H H 1.710 -4.485 1.691 1.00 . A A . 8 GLY H 1 1 37 4930 1 1 8 GLY HA2 H 3.943 -3.953 1.488 1.00 . A A . 8 GLY HA2 1 1 37 4931 1 1 8 GLY HA3 H 3.339 -2.787 0.323 1.00 . A A . 8 GLY HA3 1 1 37 4932 1 1 8 GLY N N 1.920 -3.530 1.637 1.00 . A A . 8 GLY N 1 1 37 4933 1 1 8 GLY O O 3.506 -0.806 1.944 1.00 . A A . 8 GLY O 1 1 37 4934 1 1 9 PRO C C 5.970 -0.344 3.636 1.00 . A A . 9 PRO C 1 1 37 4935 1 1 9 PRO CA C 4.936 -1.257 4.287 1.00 . A A . 9 PRO CA 1 1 37 4936 1 1 9 PRO CB C 5.574 -2.068 5.420 1.00 . A A . 9 PRO CB 1 1 37 4937 1 1 9 PRO CD C 4.785 -3.642 3.805 1.00 . A A . 9 PRO CD 1 1 37 4938 1 1 9 PRO CG C 5.861 -3.404 4.826 1.00 . A A . 9 PRO CG 1 1 37 4939 1 1 9 PRO HA H 4.128 -0.657 4.681 1.00 . A A . 9 PRO HA 1 1 37 4940 1 1 9 PRO HB2 H 6.479 -1.579 5.749 1.00 . A A . 9 PRO HB2 1 1 37 4941 1 1 9 PRO HB3 H 4.881 -2.145 6.245 1.00 . A A . 9 PRO HB3 1 1 37 4942 1 1 9 PRO HD2 H 5.168 -4.231 2.984 1.00 . A A . 9 PRO HD2 1 1 37 4943 1 1 9 PRO HD3 H 3.934 -4.129 4.257 1.00 . A A . 9 PRO HD3 1 1 37 4944 1 1 9 PRO HG2 H 6.832 -3.395 4.353 1.00 . A A . 9 PRO HG2 1 1 37 4945 1 1 9 PRO HG3 H 5.823 -4.163 5.593 1.00 . A A . 9 PRO HG3 1 1 37 4946 1 1 9 PRO N N 4.439 -2.281 3.361 1.00 . A A . 9 PRO N 1 1 37 4947 1 1 9 PRO O O 6.879 -0.810 2.950 1.00 . A A . 9 PRO O 1 1 37 4948 1 1 10 CYS C C 8.184 1.633 3.687 1.00 . A A . 10 CYS C 1 1 37 4949 1 1 10 CYS CA C 6.744 1.941 3.288 1.00 . A A . 10 CYS CA 1 1 37 4950 1 1 10 CYS CB C 6.368 3.351 3.747 1.00 . A A . 10 CYS CB 1 1 37 4951 1 1 10 CYS H H 5.077 1.270 4.410 1.00 . A A . 10 CYS H 1 1 37 4952 1 1 10 CYS HA H 6.662 1.889 2.213 1.00 . A A . 10 CYS HA 1 1 37 4953 1 1 10 CYS HB2 H 6.467 3.410 4.821 1.00 . A A . 10 CYS HB2 1 1 37 4954 1 1 10 CYS HB3 H 7.042 4.061 3.290 1.00 . A A . 10 CYS HB3 1 1 37 4955 1 1 10 CYS N N 5.823 0.960 3.855 1.00 . A A . 10 CYS N 1 1 37 4956 1 1 10 CYS O O 8.389 0.691 4.480 1.00 . A A . 10 CYS O 1 1 37 4957 1 1 10 CYS OXT O 9.095 2.337 3.201 1.00 . A A . 10 CYS OXT 1 1 37 4958 1 1 10 CYS SG S 4.667 3.847 3.323 1.00 . A A . 10 CYS SG 1 1 38 4959 1 1 1 ALA C C 0.233 1.454 3.320 1.00 . A A . 1 ALA C 1 1 38 4960 1 1 1 ALA CA C -0.240 0.384 4.298 1.00 . A A . 1 ALA CA 1 1 38 4961 1 1 1 ALA CB C -1.760 0.328 4.324 1.00 . A A . 1 ALA CB 1 1 38 4962 1 1 1 ALA H1 H 1.261 0.988 5.567 1.00 . A A . 1 ALA H1 1 1 38 4963 1 1 1 ALA H2 H 0.261 -0.263 6.184 1.00 . A A . 1 ALA H2 1 1 38 4964 1 1 1 ALA H3 H -0.323 1.349 6.112 1.00 . A A . 1 ALA H3 1 1 38 4965 1 1 1 ALA HA H 0.124 -0.577 3.966 1.00 . A A . 1 ALA HA 1 1 38 4966 1 1 1 ALA HB1 H -2.137 0.303 3.312 1.00 . A A . 1 ALA HB1 1 1 38 4967 1 1 1 ALA HB2 H -2.144 1.202 4.829 1.00 . A A . 1 ALA HB2 1 1 38 4968 1 1 1 ALA HB3 H -2.079 -0.560 4.848 1.00 . A A . 1 ALA HB3 1 1 38 4969 1 1 1 ALA N N 0.287 0.637 5.663 1.00 . A A . 1 ALA N 1 1 38 4970 1 1 1 ALA O O -0.375 2.519 3.209 1.00 . A A . 1 ALA O 1 1 38 4971 1 1 2 CYS C C 1.349 1.825 0.243 1.00 . A A . 2 CYS C 1 1 38 4972 1 1 2 CYS CA C 1.880 2.093 1.649 1.00 . A A . 2 CYS CA 1 1 38 4973 1 1 2 CYS CB C 3.396 1.975 1.672 1.00 . A A . 2 CYS CB 1 1 38 4974 1 1 2 CYS H H 1.766 0.303 2.743 1.00 . A A . 2 CYS H 1 1 38 4975 1 1 2 CYS HA H 1.596 3.086 1.942 1.00 . A A . 2 CYS HA 1 1 38 4976 1 1 2 CYS HB2 H 3.669 1.236 2.409 1.00 . A A . 2 CYS HB2 1 1 38 4977 1 1 2 CYS HB3 H 3.736 1.645 0.708 1.00 . A A . 2 CYS HB3 1 1 38 4978 1 1 2 CYS N N 1.321 1.165 2.613 1.00 . A A . 2 CYS N 1 1 38 4979 1 1 2 CYS O O 1.889 2.325 -0.744 1.00 . A A . 2 CYS O 1 1 38 4980 1 1 2 CYS SG S 4.267 3.520 2.089 1.00 . A A . 2 CYS SG 1 1 38 4981 1 1 3 LEU C C -1.798 1.114 -1.136 1.00 . A A . 3 LEU C 1 1 38 4982 1 1 3 LEU CA C -0.326 0.697 -1.114 1.00 . A A . 3 LEU CA 1 1 38 4983 1 1 3 LEU CB C -0.206 -0.805 -1.381 1.00 . A A . 3 LEU CB 1 1 38 4984 1 1 3 LEU CD1 C 1.128 -2.749 -2.237 1.00 . A A . 3 LEU CD1 1 1 38 4985 1 1 3 LEU CD2 C 1.509 -0.462 -3.176 1.00 . A A . 3 LEU CD2 1 1 38 4986 1 1 3 LEU CG C 1.148 -1.259 -1.932 1.00 . A A . 3 LEU CG 1 1 38 4987 1 1 3 LEU H H -0.089 0.676 0.992 1.00 . A A . 3 LEU H 1 1 38 4988 1 1 3 LEU HA H 0.203 1.234 -1.885 1.00 . A A . 3 LEU HA 1 1 38 4989 1 1 3 LEU HB2 H -0.389 -1.329 -0.454 1.00 . A A . 3 LEU HB2 1 1 38 4990 1 1 3 LEU HB3 H -0.970 -1.085 -2.090 1.00 . A A . 3 LEU HB3 1 1 38 4991 1 1 3 LEU HD11 H 2.065 -3.036 -2.690 1.00 . A A . 3 LEU HD11 1 1 38 4992 1 1 3 LEU HD12 H 0.318 -2.966 -2.918 1.00 . A A . 3 LEU HD12 1 1 38 4993 1 1 3 LEU HD13 H 0.986 -3.303 -1.321 1.00 . A A . 3 LEU HD13 1 1 38 4994 1 1 3 LEU HD21 H 2.078 0.410 -2.893 1.00 . A A . 3 LEU HD21 1 1 38 4995 1 1 3 LEU HD22 H 0.605 -0.154 -3.681 1.00 . A A . 3 LEU HD22 1 1 38 4996 1 1 3 LEU HD23 H 2.099 -1.078 -3.839 1.00 . A A . 3 LEU HD23 1 1 38 4997 1 1 3 LEU HG H 1.910 -1.081 -1.187 1.00 . A A . 3 LEU HG 1 1 38 4998 1 1 3 LEU N N 0.289 1.036 0.166 1.00 . A A . 3 LEU N 1 1 38 4999 1 1 3 LEU O O -2.527 0.889 -0.171 1.00 . A A . 3 LEU O 1 1 38 5000 1 1 4 PRO C C -4.647 1.041 -2.202 1.00 . A A . 4 PRO C 1 1 38 5001 1 1 4 PRO CA C -3.650 2.179 -2.375 1.00 . A A . 4 PRO CA 1 1 38 5002 1 1 4 PRO CB C -3.720 2.724 -3.805 1.00 . A A . 4 PRO CB 1 1 38 5003 1 1 4 PRO CD C -1.465 2.045 -3.445 1.00 . A A . 4 PRO CD 1 1 38 5004 1 1 4 PRO CG C -2.314 3.060 -4.155 1.00 . A A . 4 PRO CG 1 1 38 5005 1 1 4 PRO HA H -3.881 2.968 -1.674 1.00 . A A . 4 PRO HA 1 1 38 5006 1 1 4 PRO HB2 H -4.121 1.965 -4.461 1.00 . A A . 4 PRO HB2 1 1 38 5007 1 1 4 PRO HB3 H -4.353 3.599 -3.829 1.00 . A A . 4 PRO HB3 1 1 38 5008 1 1 4 PRO HD2 H -1.333 1.167 -4.061 1.00 . A A . 4 PRO HD2 1 1 38 5009 1 1 4 PRO HD3 H -0.510 2.471 -3.180 1.00 . A A . 4 PRO HD3 1 1 38 5010 1 1 4 PRO HG2 H -2.173 2.987 -5.223 1.00 . A A . 4 PRO HG2 1 1 38 5011 1 1 4 PRO HG3 H -2.076 4.055 -3.810 1.00 . A A . 4 PRO HG3 1 1 38 5012 1 1 4 PRO N N -2.258 1.732 -2.242 1.00 . A A . 4 PRO N 1 1 38 5013 1 1 4 PRO O O -5.569 1.126 -1.390 1.00 . A A . 4 PRO O 1 1 38 5014 1 1 5 TRP C C -4.693 -2.334 -2.167 1.00 . A A . 5 TRP C 1 1 38 5015 1 1 5 TRP CA C -5.347 -1.177 -2.917 1.00 . A A . 5 TRP CA 1 1 38 5016 1 1 5 TRP CB C -5.746 -1.626 -4.330 1.00 . A A . 5 TRP CB 1 1 38 5017 1 1 5 TRP CD1 C -4.922 -0.423 -6.440 1.00 . A A . 5 TRP CD1 1 1 38 5018 1 1 5 TRP CD2 C -3.397 -1.756 -5.489 1.00 . A A . 5 TRP CD2 1 1 38 5019 1 1 5 TRP CE2 C -2.825 -1.163 -6.630 1.00 . A A . 5 TRP CE2 1 1 38 5020 1 1 5 TRP CE3 C -2.624 -2.634 -4.726 1.00 . A A . 5 TRP CE3 1 1 38 5021 1 1 5 TRP CG C -4.741 -1.272 -5.387 1.00 . A A . 5 TRP CG 1 1 38 5022 1 1 5 TRP CH2 C -0.780 -2.285 -6.259 1.00 . A A . 5 TRP CH2 1 1 38 5023 1 1 5 TRP CZ2 C -1.514 -1.421 -7.025 1.00 . A A . 5 TRP CZ2 1 1 38 5024 1 1 5 TRP CZ3 C -1.324 -2.890 -5.119 1.00 . A A . 5 TRP CZ3 1 1 38 5025 1 1 5 TRP H H -3.708 -0.024 -3.605 1.00 . A A . 5 TRP H 1 1 38 5026 1 1 5 TRP HA H -6.237 -0.879 -2.383 1.00 . A A . 5 TRP HA 1 1 38 5027 1 1 5 TRP HB2 H -5.868 -2.698 -4.337 1.00 . A A . 5 TRP HB2 1 1 38 5028 1 1 5 TRP HB3 H -6.685 -1.161 -4.594 1.00 . A A . 5 TRP HB3 1 1 38 5029 1 1 5 TRP HD1 H -5.839 0.109 -6.641 1.00 . A A . 5 TRP HD1 1 1 38 5030 1 1 5 TRP HE1 H -3.657 0.187 -8.002 1.00 . A A . 5 TRP HE1 1 1 38 5031 1 1 5 TRP HE3 H -3.026 -3.108 -3.844 1.00 . A A . 5 TRP HE3 1 1 38 5032 1 1 5 TRP HH2 H 0.240 -2.514 -6.528 1.00 . A A . 5 TRP HH2 1 1 38 5033 1 1 5 TRP HZ2 H -1.080 -0.963 -7.901 1.00 . A A . 5 TRP HZ2 1 1 38 5034 1 1 5 TRP HZ3 H -0.711 -3.566 -4.541 1.00 . A A . 5 TRP HZ3 1 1 38 5035 1 1 5 TRP N N -4.459 -0.020 -2.976 1.00 . A A . 5 TRP N 1 1 38 5036 1 1 5 TRP NE1 N -3.775 -0.354 -7.194 1.00 . A A . 5 TRP NE1 1 1 38 5037 1 1 5 TRP O O -5.034 -3.497 -2.383 1.00 . A A . 5 TRP O 1 1 38 5038 1 1 6 SER C C -2.386 -2.366 0.708 1.00 . A A . 6 SER C 1 1 38 5039 1 1 6 SER CA C -3.057 -3.015 -0.503 1.00 . A A . 6 SER CA 1 1 38 5040 1 1 6 SER CB C -2.028 -3.736 -1.381 1.00 . A A . 6 SER CB 1 1 38 5041 1 1 6 SER H H -3.522 -1.069 -1.152 1.00 . A A . 6 SER H 1 1 38 5042 1 1 6 SER HA H -3.784 -3.731 -0.153 1.00 . A A . 6 SER HA 1 1 38 5043 1 1 6 SER HB2 H -2.528 -4.168 -2.235 1.00 . A A . 6 SER HB2 1 1 38 5044 1 1 6 SER HB3 H -1.287 -3.027 -1.719 1.00 . A A . 6 SER HB3 1 1 38 5045 1 1 6 SER HG H -1.085 -5.449 -1.274 1.00 . A A . 6 SER HG 1 1 38 5046 1 1 6 SER N N -3.754 -2.009 -1.283 1.00 . A A . 6 SER N 1 1 38 5047 1 1 6 SER O O -2.921 -1.420 1.287 1.00 . A A . 6 SER O 1 1 38 5048 1 1 6 SER OG O -1.378 -4.770 -0.663 1.00 . A A . 6 SER OG 1 1 38 5049 1 1 7 ASP C C 0.997 -2.185 1.904 1.00 . A A . 7 ASP C 1 1 38 5050 1 1 7 ASP CA C -0.490 -2.330 2.226 1.00 . A A . 7 ASP CA 1 1 38 5051 1 1 7 ASP CB C -0.686 -3.214 3.466 1.00 . A A . 7 ASP CB 1 1 38 5052 1 1 7 ASP CG C -0.916 -4.674 3.121 1.00 . A A . 7 ASP CG 1 1 38 5053 1 1 7 ASP H H -0.845 -3.619 0.587 1.00 . A A . 7 ASP H 1 1 38 5054 1 1 7 ASP HA H -0.892 -1.349 2.433 1.00 . A A . 7 ASP HA 1 1 38 5055 1 1 7 ASP HB2 H 0.194 -3.147 4.088 1.00 . A A . 7 ASP HB2 1 1 38 5056 1 1 7 ASP HB3 H -1.540 -2.855 4.022 1.00 . A A . 7 ASP HB3 1 1 38 5057 1 1 7 ASP N N -1.221 -2.871 1.086 1.00 . A A . 7 ASP N 1 1 38 5058 1 1 7 ASP O O 1.443 -1.121 1.475 1.00 . A A . 7 ASP O 1 1 38 5059 1 1 7 ASP OD1 O 0.069 -5.368 2.789 1.00 . A A . 7 ASP OD1 1 1 38 5060 1 1 7 ASP OD2 O -2.080 -5.122 3.182 1.00 . A A . 7 ASP OD2 1 1 38 5061 1 1 8 GLY C C 3.917 -2.221 2.724 1.00 . A A . 8 GLY C 1 1 38 5062 1 1 8 GLY CA C 3.186 -3.212 1.835 1.00 . A A . 8 GLY CA 1 1 38 5063 1 1 8 GLY H H 1.357 -4.079 2.452 1.00 . A A . 8 GLY H 1 1 38 5064 1 1 8 GLY HA2 H 3.600 -4.197 1.990 1.00 . A A . 8 GLY HA2 1 1 38 5065 1 1 8 GLY HA3 H 3.333 -2.931 0.803 1.00 . A A . 8 GLY HA3 1 1 38 5066 1 1 8 GLY N N 1.762 -3.255 2.110 1.00 . A A . 8 GLY N 1 1 38 5067 1 1 8 GLY O O 3.466 -1.088 2.890 1.00 . A A . 8 GLY O 1 1 38 5068 1 1 9 PRO C C 6.525 -0.613 3.413 1.00 . A A . 9 PRO C 1 1 38 5069 1 1 9 PRO CA C 5.839 -1.734 4.188 1.00 . A A . 9 PRO CA 1 1 38 5070 1 1 9 PRO CB C 6.879 -2.671 4.804 1.00 . A A . 9 PRO CB 1 1 38 5071 1 1 9 PRO CD C 5.681 -3.948 3.177 1.00 . A A . 9 PRO CD 1 1 38 5072 1 1 9 PRO CG C 7.034 -3.768 3.808 1.00 . A A . 9 PRO CG 1 1 38 5073 1 1 9 PRO HA H 5.226 -1.307 4.968 1.00 . A A . 9 PRO HA 1 1 38 5074 1 1 9 PRO HB2 H 7.806 -2.137 4.953 1.00 . A A . 9 PRO HB2 1 1 38 5075 1 1 9 PRO HB3 H 6.516 -3.046 5.749 1.00 . A A . 9 PRO HB3 1 1 38 5076 1 1 9 PRO HD2 H 5.783 -4.221 2.137 1.00 . A A . 9 PRO HD2 1 1 38 5077 1 1 9 PRO HD3 H 5.112 -4.694 3.711 1.00 . A A . 9 PRO HD3 1 1 38 5078 1 1 9 PRO HG2 H 7.762 -3.485 3.062 1.00 . A A . 9 PRO HG2 1 1 38 5079 1 1 9 PRO HG3 H 7.339 -4.676 4.306 1.00 . A A . 9 PRO HG3 1 1 38 5080 1 1 9 PRO N N 5.060 -2.616 3.314 1.00 . A A . 9 PRO N 1 1 38 5081 1 1 9 PRO O O 7.125 -0.848 2.364 1.00 . A A . 9 PRO O 1 1 38 5082 1 1 10 CYS C C 8.563 1.658 3.319 1.00 . A A . 10 CYS C 1 1 38 5083 1 1 10 CYS CA C 7.042 1.761 3.292 1.00 . A A . 10 CYS CA 1 1 38 5084 1 1 10 CYS CB C 6.593 3.051 3.982 1.00 . A A . 10 CYS CB 1 1 38 5085 1 1 10 CYS H H 5.938 0.729 4.774 1.00 . A A . 10 CYS H 1 1 38 5086 1 1 10 CYS HA H 6.713 1.780 2.263 1.00 . A A . 10 CYS HA 1 1 38 5087 1 1 10 CYS HB2 H 6.954 3.050 4.999 1.00 . A A . 10 CYS HB2 1 1 38 5088 1 1 10 CYS HB3 H 7.014 3.896 3.457 1.00 . A A . 10 CYS HB3 1 1 38 5089 1 1 10 CYS N N 6.430 0.605 3.935 1.00 . A A . 10 CYS N 1 1 38 5090 1 1 10 CYS O O 9.182 1.754 2.238 1.00 . A A . 10 CYS O 1 1 38 5091 1 1 10 CYS OXT O 9.124 1.482 4.421 1.00 . A A . 10 CYS OXT 1 1 38 5092 1 1 10 CYS SG S 4.785 3.275 4.037 1.00 . A A . 10 CYS SG 1 1 39 5093 1 1 1 ALA C C -0.060 2.158 2.808 1.00 . A A . 1 ALA C 1 1 39 5094 1 1 1 ALA CA C -0.347 1.649 4.217 1.00 . A A . 1 ALA CA 1 1 39 5095 1 1 1 ALA CB C 0.249 0.262 4.410 1.00 . A A . 1 ALA CB 1 1 39 5096 1 1 1 ALA H1 H -2.247 0.987 3.790 1.00 . A A . 1 ALA H1 1 1 39 5097 1 1 1 ALA H2 H -2.165 2.595 4.385 1.00 . A A . 1 ALA H2 1 1 39 5098 1 1 1 ALA H3 H -1.946 1.270 5.453 1.00 . A A . 1 ALA H3 1 1 39 5099 1 1 1 ALA HA H 0.118 2.315 4.929 1.00 . A A . 1 ALA HA 1 1 39 5100 1 1 1 ALA HB1 H -0.417 -0.335 5.015 1.00 . A A . 1 ALA HB1 1 1 39 5101 1 1 1 ALA HB2 H 1.205 0.347 4.904 1.00 . A A . 1 ALA HB2 1 1 39 5102 1 1 1 ALA HB3 H 0.381 -0.211 3.448 1.00 . A A . 1 ALA HB3 1 1 39 5103 1 1 1 ALA N N -1.808 1.623 4.486 1.00 . A A . 1 ALA N 1 1 39 5104 1 1 1 ALA O O -0.980 2.494 2.063 1.00 . A A . 1 ALA O 1 1 39 5105 1 1 2 CYS C C 0.685 2.339 0.055 1.00 . A A . 2 CYS C 1 1 39 5106 1 1 2 CYS CA C 1.669 2.694 1.154 1.00 . A A . 2 CYS CA 1 1 39 5107 1 1 2 CYS CB C 3.058 2.130 0.813 1.00 . A A . 2 CYS CB 1 1 39 5108 1 1 2 CYS H H 1.904 1.952 3.106 1.00 . A A . 2 CYS H 1 1 39 5109 1 1 2 CYS HA H 1.735 3.741 1.195 1.00 . A A . 2 CYS HA 1 1 39 5110 1 1 2 CYS HB2 H 3.008 1.595 -0.122 1.00 . A A . 2 CYS HB2 1 1 39 5111 1 1 2 CYS HB3 H 3.730 2.959 0.709 1.00 . A A . 2 CYS HB3 1 1 39 5112 1 1 2 CYS N N 1.226 2.221 2.460 1.00 . A A . 2 CYS N 1 1 39 5113 1 1 2 CYS O O -0.072 3.178 -0.433 1.00 . A A . 2 CYS O 1 1 39 5114 1 1 2 CYS SG S 3.790 1.004 2.053 1.00 . A A . 2 CYS SG 1 1 39 5115 1 1 3 LEU C C -1.602 0.960 -1.141 1.00 . A A . 3 LEU C 1 1 39 5116 1 1 3 LEU CA C -0.143 0.550 -1.361 1.00 . A A . 3 LEU CA 1 1 39 5117 1 1 3 LEU CB C -0.030 -0.976 -1.402 1.00 . A A . 3 LEU CB 1 1 39 5118 1 1 3 LEU CD1 C 2.380 -0.875 -2.088 1.00 . A A . 3 LEU CD1 1 1 39 5119 1 1 3 LEU CD2 C 1.129 -3.035 -2.240 1.00 . A A . 3 LEU CD2 1 1 39 5120 1 1 3 LEU CG C 1.031 -1.521 -2.360 1.00 . A A . 3 LEU CG 1 1 39 5121 1 1 3 LEU H H 1.361 0.513 0.135 1.00 . A A . 3 LEU H 1 1 39 5122 1 1 3 LEU HA H 0.195 0.949 -2.304 1.00 . A A . 3 LEU HA 1 1 39 5123 1 1 3 LEU HB2 H 0.200 -1.325 -0.406 1.00 . A A . 3 LEU HB2 1 1 39 5124 1 1 3 LEU HB3 H -0.988 -1.380 -1.694 1.00 . A A . 3 LEU HB3 1 1 39 5125 1 1 3 LEU HD11 H 2.637 -1.002 -1.047 1.00 . A A . 3 LEU HD11 1 1 39 5126 1 1 3 LEU HD12 H 2.329 0.178 -2.321 1.00 . A A . 3 LEU HD12 1 1 39 5127 1 1 3 LEU HD13 H 3.134 -1.343 -2.704 1.00 . A A . 3 LEU HD13 1 1 39 5128 1 1 3 LEU HD21 H 0.404 -3.495 -2.895 1.00 . A A . 3 LEU HD21 1 1 39 5129 1 1 3 LEU HD22 H 0.930 -3.329 -1.220 1.00 . A A . 3 LEU HD22 1 1 39 5130 1 1 3 LEU HD23 H 2.122 -3.355 -2.520 1.00 . A A . 3 LEU HD23 1 1 39 5131 1 1 3 LEU HG H 0.746 -1.284 -3.375 1.00 . A A . 3 LEU HG 1 1 39 5132 1 1 3 LEU N N 0.722 1.089 -0.314 1.00 . A A . 3 LEU N 1 1 39 5133 1 1 3 LEU O O -2.261 0.464 -0.227 1.00 . A A . 3 LEU O 1 1 39 5134 1 1 4 PRO C C -4.522 1.214 -2.007 1.00 . A A . 4 PRO C 1 1 39 5135 1 1 4 PRO CA C -3.513 2.347 -1.869 1.00 . A A . 4 PRO CA 1 1 39 5136 1 1 4 PRO CB C -3.656 3.325 -3.041 1.00 . A A . 4 PRO CB 1 1 39 5137 1 1 4 PRO CD C -1.416 2.520 -3.096 1.00 . A A . 4 PRO CD 1 1 39 5138 1 1 4 PRO CG C -2.263 3.725 -3.380 1.00 . A A . 4 PRO CG 1 1 39 5139 1 1 4 PRO HA H -3.682 2.868 -0.938 1.00 . A A . 4 PRO HA 1 1 39 5140 1 1 4 PRO HB2 H -4.136 2.825 -3.871 1.00 . A A . 4 PRO HB2 1 1 39 5141 1 1 4 PRO HB3 H -4.248 4.174 -2.735 1.00 . A A . 4 PRO HB3 1 1 39 5142 1 1 4 PRO HD2 H -1.380 1.871 -3.959 1.00 . A A . 4 PRO HD2 1 1 39 5143 1 1 4 PRO HD3 H -0.421 2.817 -2.800 1.00 . A A . 4 PRO HD3 1 1 39 5144 1 1 4 PRO HG2 H -2.200 3.992 -4.425 1.00 . A A . 4 PRO HG2 1 1 39 5145 1 1 4 PRO HG3 H -1.957 4.554 -2.759 1.00 . A A . 4 PRO HG3 1 1 39 5146 1 1 4 PRO N N -2.126 1.875 -1.979 1.00 . A A . 4 PRO N 1 1 39 5147 1 1 4 PRO O O -5.627 1.282 -1.468 1.00 . A A . 4 PRO O 1 1 39 5148 1 1 5 TRP C C -4.524 -2.186 -2.147 1.00 . A A . 5 TRP C 1 1 39 5149 1 1 5 TRP CA C -5.002 -0.978 -2.952 1.00 . A A . 5 TRP CA 1 1 39 5150 1 1 5 TRP CB C -5.067 -1.332 -4.444 1.00 . A A . 5 TRP CB 1 1 39 5151 1 1 5 TRP CD1 C -2.592 -1.338 -5.108 1.00 . A A . 5 TRP CD1 1 1 39 5152 1 1 5 TRP CD2 C -3.842 0.127 -6.248 1.00 . A A . 5 TRP CD2 1 1 39 5153 1 1 5 TRP CE2 C -2.513 0.220 -6.704 1.00 . A A . 5 TRP CE2 1 1 39 5154 1 1 5 TRP CE3 C -4.810 0.955 -6.822 1.00 . A A . 5 TRP CE3 1 1 39 5155 1 1 5 TRP CG C -3.871 -0.879 -5.228 1.00 . A A . 5 TRP CG 1 1 39 5156 1 1 5 TRP CH2 C -3.098 1.907 -8.249 1.00 . A A . 5 TRP CH2 1 1 39 5157 1 1 5 TRP CZ2 C -2.129 1.108 -7.705 1.00 . A A . 5 TRP CZ2 1 1 39 5158 1 1 5 TRP CZ3 C -4.428 1.838 -7.816 1.00 . A A . 5 TRP CZ3 1 1 39 5159 1 1 5 TRP H H -3.240 0.184 -3.138 1.00 . A A . 5 TRP H 1 1 39 5160 1 1 5 TRP HA H -5.992 -0.710 -2.614 1.00 . A A . 5 TRP HA 1 1 39 5161 1 1 5 TRP HB2 H -5.145 -2.404 -4.548 1.00 . A A . 5 TRP HB2 1 1 39 5162 1 1 5 TRP HB3 H -5.943 -0.870 -4.875 1.00 . A A . 5 TRP HB3 1 1 39 5163 1 1 5 TRP HD1 H -2.285 -2.104 -4.414 1.00 . A A . 5 TRP HD1 1 1 39 5164 1 1 5 TRP HE1 H -0.808 -0.839 -6.097 1.00 . A A . 5 TRP HE1 1 1 39 5165 1 1 5 TRP HE3 H -5.839 0.916 -6.501 1.00 . A A . 5 TRP HE3 1 1 39 5166 1 1 5 TRP HH2 H -2.844 2.612 -9.028 1.00 . A A . 5 TRP HH2 1 1 39 5167 1 1 5 TRP HZ2 H -1.108 1.174 -8.050 1.00 . A A . 5 TRP HZ2 1 1 39 5168 1 1 5 TRP HZ3 H -5.162 2.486 -8.271 1.00 . A A . 5 TRP HZ3 1 1 39 5169 1 1 5 TRP N N -4.133 0.175 -2.735 1.00 . A A . 5 TRP N 1 1 39 5170 1 1 5 TRP NE1 N -1.770 -0.684 -5.993 1.00 . A A . 5 TRP NE1 1 1 39 5171 1 1 5 TRP O O -4.992 -3.305 -2.354 1.00 . A A . 5 TRP O 1 1 39 5172 1 1 6 SER C C -2.325 -2.405 0.808 1.00 . A A . 6 SER C 1 1 39 5173 1 1 6 SER CA C -3.050 -3.010 -0.394 1.00 . A A . 6 SER CA 1 1 39 5174 1 1 6 SER CB C -2.108 -3.894 -1.218 1.00 . A A . 6 SER CB 1 1 39 5175 1 1 6 SER H H -3.253 -1.043 -1.106 1.00 . A A . 6 SER H 1 1 39 5176 1 1 6 SER HA H -3.873 -3.609 -0.037 1.00 . A A . 6 SER HA 1 1 39 5177 1 1 6 SER HB2 H -1.190 -3.359 -1.408 1.00 . A A . 6 SER HB2 1 1 39 5178 1 1 6 SER HB3 H -1.891 -4.798 -0.668 1.00 . A A . 6 SER HB3 1 1 39 5179 1 1 6 SER HG H -2.618 -3.509 -3.070 1.00 . A A . 6 SER HG 1 1 39 5180 1 1 6 SER N N -3.590 -1.952 -1.228 1.00 . A A . 6 SER N 1 1 39 5181 1 1 6 SER O O -2.751 -1.384 1.347 1.00 . A A . 6 SER O 1 1 39 5182 1 1 6 SER OG O -2.694 -4.246 -2.459 1.00 . A A . 6 SER OG 1 1 39 5183 1 1 7 ASP C C 1.023 -2.442 1.996 1.00 . A A . 7 ASP C 1 1 39 5184 1 1 7 ASP CA C -0.457 -2.546 2.357 1.00 . A A . 7 ASP CA 1 1 39 5185 1 1 7 ASP CB C -0.641 -3.461 3.575 1.00 . A A . 7 ASP CB 1 1 39 5186 1 1 7 ASP CG C -0.997 -4.887 3.194 1.00 . A A . 7 ASP CG 1 1 39 5187 1 1 7 ASP H H -0.944 -3.836 0.755 1.00 . A A . 7 ASP H 1 1 39 5188 1 1 7 ASP HA H -0.821 -1.559 2.605 1.00 . A A . 7 ASP HA 1 1 39 5189 1 1 7 ASP HB2 H 0.277 -3.481 4.142 1.00 . A A . 7 ASP HB2 1 1 39 5190 1 1 7 ASP HB3 H -1.433 -3.066 4.195 1.00 . A A . 7 ASP HB3 1 1 39 5191 1 1 7 ASP N N -1.235 -3.032 1.223 1.00 . A A . 7 ASP N 1 1 39 5192 1 1 7 ASP O O 1.513 -1.364 1.655 1.00 . A A . 7 ASP O 1 1 39 5193 1 1 7 ASP OD1 O -0.495 -5.367 2.156 1.00 . A A . 7 ASP OD1 1 1 39 5194 1 1 7 ASP OD2 O -1.778 -5.522 3.934 1.00 . A A . 7 ASP OD2 1 1 39 5195 1 1 8 GLY C C 3.969 -2.768 2.729 1.00 . A A . 8 GLY C 1 1 39 5196 1 1 8 GLY CA C 3.143 -3.577 1.745 1.00 . A A . 8 GLY CA 1 1 39 5197 1 1 8 GLY H H 1.287 -4.397 2.344 1.00 . A A . 8 GLY H 1 1 39 5198 1 1 8 GLY HA2 H 3.493 -4.598 1.748 1.00 . A A . 8 GLY HA2 1 1 39 5199 1 1 8 GLY HA3 H 3.277 -3.164 0.756 1.00 . A A . 8 GLY HA3 1 1 39 5200 1 1 8 GLY N N 1.729 -3.567 2.069 1.00 . A A . 8 GLY N 1 1 39 5201 1 1 8 GLY O O 3.554 -1.686 3.144 1.00 . A A . 8 GLY O 1 1 39 5202 1 1 9 PRO C C 6.793 -1.424 3.420 1.00 . A A . 9 PRO C 1 1 39 5203 1 1 9 PRO CA C 6.024 -2.569 4.074 1.00 . A A . 9 PRO CA 1 1 39 5204 1 1 9 PRO CB C 6.985 -3.664 4.532 1.00 . A A . 9 PRO CB 1 1 39 5205 1 1 9 PRO CD C 5.731 -4.555 2.693 1.00 . A A . 9 PRO CD 1 1 39 5206 1 1 9 PRO CG C 7.078 -4.588 3.367 1.00 . A A . 9 PRO CG 1 1 39 5207 1 1 9 PRO HA H 5.470 -2.193 4.921 1.00 . A A . 9 PRO HA 1 1 39 5208 1 1 9 PRO HB2 H 7.944 -3.230 4.772 1.00 . A A . 9 PRO HB2 1 1 39 5209 1 1 9 PRO HB3 H 6.580 -4.163 5.399 1.00 . A A . 9 PRO HB3 1 1 39 5210 1 1 9 PRO HD2 H 5.847 -4.582 1.619 1.00 . A A . 9 PRO HD2 1 1 39 5211 1 1 9 PRO HD3 H 5.123 -5.383 3.027 1.00 . A A . 9 PRO HD3 1 1 39 5212 1 1 9 PRO HG2 H 7.845 -4.246 2.688 1.00 . A A . 9 PRO HG2 1 1 39 5213 1 1 9 PRO HG3 H 7.300 -5.588 3.710 1.00 . A A . 9 PRO HG3 1 1 39 5214 1 1 9 PRO N N 5.152 -3.268 3.128 1.00 . A A . 9 PRO N 1 1 39 5215 1 1 9 PRO O O 7.295 -1.558 2.305 1.00 . A A . 9 PRO O 1 1 39 5216 1 1 10 CYS C C 8.190 1.683 4.753 1.00 . A A . 10 CYS C 1 1 39 5217 1 1 10 CYS CA C 7.587 0.870 3.611 1.00 . A A . 10 CYS CA 1 1 39 5218 1 1 10 CYS CB C 6.641 1.749 2.790 1.00 . A A . 10 CYS CB 1 1 39 5219 1 1 10 CYS H H 6.458 -0.253 5.006 1.00 . A A . 10 CYS H 1 1 39 5220 1 1 10 CYS HA H 8.385 0.521 2.973 1.00 . A A . 10 CYS HA 1 1 39 5221 1 1 10 CYS HB2 H 5.911 2.193 3.451 1.00 . A A . 10 CYS HB2 1 1 39 5222 1 1 10 CYS HB3 H 7.212 2.533 2.315 1.00 . A A . 10 CYS HB3 1 1 39 5223 1 1 10 CYS N N 6.879 -0.299 4.123 1.00 . A A . 10 CYS N 1 1 39 5224 1 1 10 CYS O O 9.431 1.666 4.900 1.00 . A A . 10 CYS O 1 1 39 5225 1 1 10 CYS OXT O 7.417 2.330 5.491 1.00 . A A . 10 CYS OXT 1 1 39 5226 1 1 10 CYS SG S 5.734 0.854 1.486 1.00 . A A . 10 CYS SG 1 1 40 5227 1 1 1 ALA C C 2.813 3.920 2.119 1.00 . A A . 1 ALA C 1 1 40 5228 1 1 1 ALA CA C 3.212 5.254 2.741 1.00 . A A . 1 ALA CA 1 1 40 5229 1 1 1 ALA CB C 2.307 6.365 2.230 1.00 . A A . 1 ALA CB 1 1 40 5230 1 1 1 ALA H1 H 5.223 5.011 3.098 1.00 . A A . 1 ALA H1 1 1 40 5231 1 1 1 ALA H2 H 4.768 6.593 2.612 1.00 . A A . 1 ALA H2 1 1 40 5232 1 1 1 ALA H3 H 4.821 5.320 1.461 1.00 . A A . 1 ALA H3 1 1 40 5233 1 1 1 ALA HA H 3.090 5.189 3.813 1.00 . A A . 1 ALA HA 1 1 40 5234 1 1 1 ALA HB1 H 2.030 6.161 1.207 1.00 . A A . 1 ALA HB1 1 1 40 5235 1 1 1 ALA HB2 H 2.832 7.308 2.280 1.00 . A A . 1 ALA HB2 1 1 40 5236 1 1 1 ALA HB3 H 1.418 6.415 2.842 1.00 . A A . 1 ALA HB3 1 1 40 5237 1 1 1 ALA N N 4.634 5.573 2.452 1.00 . A A . 1 ALA N 1 1 40 5238 1 1 1 ALA O O 3.414 3.476 1.141 1.00 . A A . 1 ALA O 1 1 40 5239 1 1 2 CYS C C 0.299 2.211 1.080 1.00 . A A . 2 CYS C 1 1 40 5240 1 1 2 CYS CA C 1.311 2.012 2.204 1.00 . A A . 2 CYS CA 1 1 40 5241 1 1 2 CYS CB C 0.678 1.246 3.360 1.00 . A A . 2 CYS CB 1 1 40 5242 1 1 2 CYS H H 1.354 3.687 3.469 1.00 . A A . 2 CYS H 1 1 40 5243 1 1 2 CYS HA H 2.154 1.453 1.827 1.00 . A A . 2 CYS HA 1 1 40 5244 1 1 2 CYS HB2 H 0.759 1.841 4.256 1.00 . A A . 2 CYS HB2 1 1 40 5245 1 1 2 CYS HB3 H -0.361 1.083 3.143 1.00 . A A . 2 CYS HB3 1 1 40 5246 1 1 2 CYS N N 1.796 3.287 2.693 1.00 . A A . 2 CYS N 1 1 40 5247 1 1 2 CYS O O -0.204 3.316 0.875 1.00 . A A . 2 CYS O 1 1 40 5248 1 1 2 CYS SG S 1.448 -0.367 3.706 1.00 . A A . 2 CYS SG 1 1 40 5249 1 1 3 LEU C C -2.343 0.755 -0.284 1.00 . A A . 3 LEU C 1 1 40 5250 1 1 3 LEU CA C -0.956 1.206 -0.743 1.00 . A A . 3 LEU CA 1 1 40 5251 1 1 3 LEU CB C -0.486 0.349 -1.919 1.00 . A A . 3 LEU CB 1 1 40 5252 1 1 3 LEU CD1 C 1.116 -0.039 -3.808 1.00 . A A . 3 LEU CD1 1 1 40 5253 1 1 3 LEU CD2 C 0.422 2.289 -3.219 1.00 . A A . 3 LEU CD2 1 1 40 5254 1 1 3 LEU CG C 0.722 0.900 -2.679 1.00 . A A . 3 LEU CG 1 1 40 5255 1 1 3 LEU H H 0.432 0.281 0.568 1.00 . A A . 3 LEU H 1 1 40 5256 1 1 3 LEU HA H -1.012 2.235 -1.061 1.00 . A A . 3 LEU HA 1 1 40 5257 1 1 3 LEU HB2 H -0.234 -0.629 -1.544 1.00 . A A . 3 LEU HB2 1 1 40 5258 1 1 3 LEU HB3 H -1.305 0.249 -2.615 1.00 . A A . 3 LEU HB3 1 1 40 5259 1 1 3 LEU HD11 H 2.193 -0.080 -3.884 1.00 . A A . 3 LEU HD11 1 1 40 5260 1 1 3 LEU HD12 H 0.704 0.323 -4.738 1.00 . A A . 3 LEU HD12 1 1 40 5261 1 1 3 LEU HD13 H 0.733 -1.028 -3.605 1.00 . A A . 3 LEU HD13 1 1 40 5262 1 1 3 LEU HD21 H -0.641 2.391 -3.379 1.00 . A A . 3 LEU HD21 1 1 40 5263 1 1 3 LEU HD22 H 0.942 2.432 -4.155 1.00 . A A . 3 LEU HD22 1 1 40 5264 1 1 3 LEU HD23 H 0.752 3.032 -2.508 1.00 . A A . 3 LEU HD23 1 1 40 5265 1 1 3 LEU HG H 1.561 0.977 -2.002 1.00 . A A . 3 LEU HG 1 1 40 5266 1 1 3 LEU N N 0.001 1.137 0.357 1.00 . A A . 3 LEU N 1 1 40 5267 1 1 3 LEU O O -2.470 -0.193 0.490 1.00 . A A . 3 LEU O 1 1 40 5268 1 1 4 PRO C C -5.179 -0.323 -0.736 1.00 . A A . 4 PRO C 1 1 40 5269 1 1 4 PRO CA C -4.788 1.107 -0.376 1.00 . A A . 4 PRO CA 1 1 40 5270 1 1 4 PRO CB C -5.630 2.100 -1.185 1.00 . A A . 4 PRO CB 1 1 40 5271 1 1 4 PRO CD C -3.347 2.589 -1.670 1.00 . A A . 4 PRO CD 1 1 40 5272 1 1 4 PRO CG C -4.702 3.216 -1.516 1.00 . A A . 4 PRO CG 1 1 40 5273 1 1 4 PRO HA H -4.957 1.268 0.678 1.00 . A A . 4 PRO HA 1 1 40 5274 1 1 4 PRO HB2 H -6.000 1.616 -2.078 1.00 . A A . 4 PRO HB2 1 1 40 5275 1 1 4 PRO HB3 H -6.460 2.443 -0.586 1.00 . A A . 4 PRO HB3 1 1 40 5276 1 1 4 PRO HD2 H -3.194 2.263 -2.689 1.00 . A A . 4 PRO HD2 1 1 40 5277 1 1 4 PRO HD3 H -2.575 3.282 -1.372 1.00 . A A . 4 PRO HD3 1 1 40 5278 1 1 4 PRO HG2 H -5.006 3.685 -2.440 1.00 . A A . 4 PRO HG2 1 1 40 5279 1 1 4 PRO HG3 H -4.692 3.937 -0.712 1.00 . A A . 4 PRO HG3 1 1 40 5280 1 1 4 PRO N N -3.406 1.437 -0.751 1.00 . A A . 4 PRO N 1 1 40 5281 1 1 4 PRO O O -5.803 -1.023 0.062 1.00 . A A . 4 PRO O 1 1 40 5282 1 1 5 TRP C C -3.921 -2.977 -2.507 1.00 . A A . 5 TRP C 1 1 40 5283 1 1 5 TRP CA C -5.161 -2.093 -2.408 1.00 . A A . 5 TRP CA 1 1 40 5284 1 1 5 TRP CB C -5.868 -2.034 -3.769 1.00 . A A . 5 TRP CB 1 1 40 5285 1 1 5 TRP CD1 C -6.429 0.141 -5.003 1.00 . A A . 5 TRP CD1 1 1 40 5286 1 1 5 TRP CD2 C -4.255 -0.390 -5.026 1.00 . A A . 5 TRP CD2 1 1 40 5287 1 1 5 TRP CE2 C -4.430 0.815 -5.732 1.00 . A A . 5 TRP CE2 1 1 40 5288 1 1 5 TRP CE3 C -2.966 -0.920 -4.908 1.00 . A A . 5 TRP CE3 1 1 40 5289 1 1 5 TRP CG C -5.547 -0.805 -4.568 1.00 . A A . 5 TRP CG 1 1 40 5290 1 1 5 TRP CH2 C -2.116 0.957 -6.184 1.00 . A A . 5 TRP CH2 1 1 40 5291 1 1 5 TRP CZ2 C -3.365 1.498 -6.316 1.00 . A A . 5 TRP CZ2 1 1 40 5292 1 1 5 TRP CZ3 C -1.911 -0.241 -5.488 1.00 . A A . 5 TRP CZ3 1 1 40 5293 1 1 5 TRP H H -4.339 -0.142 -2.541 1.00 . A A . 5 TRP H 1 1 40 5294 1 1 5 TRP HA H -5.835 -2.529 -1.687 1.00 . A A . 5 TRP HA 1 1 40 5295 1 1 5 TRP HB2 H -5.579 -2.894 -4.354 1.00 . A A . 5 TRP HB2 1 1 40 5296 1 1 5 TRP HB3 H -6.936 -2.059 -3.610 1.00 . A A . 5 TRP HB3 1 1 40 5297 1 1 5 TRP HD1 H -7.492 0.113 -4.817 1.00 . A A . 5 TRP HD1 1 1 40 5298 1 1 5 TRP HE1 H -6.181 1.905 -6.117 1.00 . A A . 5 TRP HE1 1 1 40 5299 1 1 5 TRP HE3 H -2.789 -1.841 -4.375 1.00 . A A . 5 TRP HE3 1 1 40 5300 1 1 5 TRP HH2 H -1.262 1.452 -6.621 1.00 . A A . 5 TRP HH2 1 1 40 5301 1 1 5 TRP HZ2 H -3.507 2.423 -6.856 1.00 . A A . 5 TRP HZ2 1 1 40 5302 1 1 5 TRP HZ3 H -0.909 -0.636 -5.407 1.00 . A A . 5 TRP HZ3 1 1 40 5303 1 1 5 TRP N N -4.826 -0.748 -1.944 1.00 . A A . 5 TRP N 1 1 40 5304 1 1 5 TRP NE1 N -5.765 1.119 -5.704 1.00 . A A . 5 TRP NE1 1 1 40 5305 1 1 5 TRP O O -3.866 -3.891 -3.331 1.00 . A A . 5 TRP O 1 1 40 5306 1 1 6 SER C C -0.695 -2.915 -0.662 1.00 . A A . 6 SER C 1 1 40 5307 1 1 6 SER CA C -1.696 -3.487 -1.660 1.00 . A A . 6 SER CA 1 1 40 5308 1 1 6 SER CB C -1.078 -3.517 -3.061 1.00 . A A . 6 SER CB 1 1 40 5309 1 1 6 SER H H -3.032 -1.969 -1.027 1.00 . A A . 6 SER H 1 1 40 5310 1 1 6 SER HA H -1.943 -4.496 -1.365 1.00 . A A . 6 SER HA 1 1 40 5311 1 1 6 SER HB2 H -1.681 -4.138 -3.706 1.00 . A A . 6 SER HB2 1 1 40 5312 1 1 6 SER HB3 H -1.043 -2.513 -3.459 1.00 . A A . 6 SER HB3 1 1 40 5313 1 1 6 SER HG H 0.210 -4.989 -3.179 1.00 . A A . 6 SER HG 1 1 40 5314 1 1 6 SER N N -2.930 -2.707 -1.664 1.00 . A A . 6 SER N 1 1 40 5315 1 1 6 SER O O 0.426 -2.561 -1.030 1.00 . A A . 6 SER O 1 1 40 5316 1 1 6 SER OG O 0.239 -4.041 -3.027 1.00 . A A . 6 SER OG 1 1 40 5317 1 1 7 ASP C C 1.217 -2.507 1.395 1.00 . A A . 7 ASP C 1 1 40 5318 1 1 7 ASP CA C -0.270 -2.299 1.680 1.00 . A A . 7 ASP CA 1 1 40 5319 1 1 7 ASP CB C -0.638 -2.959 3.010 1.00 . A A . 7 ASP CB 1 1 40 5320 1 1 7 ASP CG C -1.981 -2.492 3.536 1.00 . A A . 7 ASP CG 1 1 40 5321 1 1 7 ASP H H -2.020 -3.131 0.820 1.00 . A A . 7 ASP H 1 1 40 5322 1 1 7 ASP HA H -0.462 -1.239 1.754 1.00 . A A . 7 ASP HA 1 1 40 5323 1 1 7 ASP HB2 H -0.677 -4.029 2.874 1.00 . A A . 7 ASP HB2 1 1 40 5324 1 1 7 ASP HB3 H 0.118 -2.721 3.744 1.00 . A A . 7 ASP HB3 1 1 40 5325 1 1 7 ASP N N -1.113 -2.830 0.603 1.00 . A A . 7 ASP N 1 1 40 5326 1 1 7 ASP O O 1.932 -1.558 1.074 1.00 . A A . 7 ASP O 1 1 40 5327 1 1 7 ASP OD1 O -2.233 -1.269 3.519 1.00 . A A . 7 ASP OD1 1 1 40 5328 1 1 7 ASP OD2 O -2.781 -3.351 3.963 1.00 . A A . 7 ASP OD2 1 1 40 5329 1 1 8 GLY C C 4.009 -3.266 2.149 1.00 . A A . 8 GLY C 1 1 40 5330 1 1 8 GLY CA C 3.066 -4.061 1.263 1.00 . A A . 8 GLY CA 1 1 40 5331 1 1 8 GLY H H 1.050 -4.465 1.770 1.00 . A A . 8 GLY H 1 1 40 5332 1 1 8 GLY HA2 H 3.225 -5.115 1.442 1.00 . A A . 8 GLY HA2 1 1 40 5333 1 1 8 GLY HA3 H 3.290 -3.847 0.229 1.00 . A A . 8 GLY HA3 1 1 40 5334 1 1 8 GLY N N 1.670 -3.751 1.513 1.00 . A A . 8 GLY N 1 1 40 5335 1 1 8 GLY O O 4.084 -3.515 3.352 1.00 . A A . 8 GLY O 1 1 40 5336 1 1 9 PRO C C 4.985 -0.640 3.420 1.00 . A A . 9 PRO C 1 1 40 5337 1 1 9 PRO CA C 5.687 -1.470 2.351 1.00 . A A . 9 PRO CA 1 1 40 5338 1 1 9 PRO CB C 6.323 -0.558 1.295 1.00 . A A . 9 PRO CB 1 1 40 5339 1 1 9 PRO CD C 4.728 -1.922 0.158 1.00 . A A . 9 PRO CD 1 1 40 5340 1 1 9 PRO CG C 5.364 -0.562 0.155 1.00 . A A . 9 PRO CG 1 1 40 5341 1 1 9 PRO HA H 6.453 -2.075 2.815 1.00 . A A . 9 PRO HA 1 1 40 5342 1 1 9 PRO HB2 H 6.449 0.434 1.703 1.00 . A A . 9 PRO HB2 1 1 40 5343 1 1 9 PRO HB3 H 7.283 -0.957 1.003 1.00 . A A . 9 PRO HB3 1 1 40 5344 1 1 9 PRO HD2 H 3.716 -1.867 -0.215 1.00 . A A . 9 PRO HD2 1 1 40 5345 1 1 9 PRO HD3 H 5.312 -2.614 -0.430 1.00 . A A . 9 PRO HD3 1 1 40 5346 1 1 9 PRO HG2 H 4.615 0.203 0.301 1.00 . A A . 9 PRO HG2 1 1 40 5347 1 1 9 PRO HG3 H 5.894 -0.398 -0.772 1.00 . A A . 9 PRO HG3 1 1 40 5348 1 1 9 PRO N N 4.748 -2.295 1.583 1.00 . A A . 9 PRO N 1 1 40 5349 1 1 9 PRO O O 4.579 0.495 3.172 1.00 . A A . 9 PRO O 1 1 40 5350 1 1 10 CYS C C 5.152 -0.360 6.893 1.00 . A A . 10 CYS C 1 1 40 5351 1 1 10 CYS CA C 4.192 -0.532 5.720 1.00 . A A . 10 CYS CA 1 1 40 5352 1 1 10 CYS CB C 2.953 -1.312 6.166 1.00 . A A . 10 CYS CB 1 1 40 5353 1 1 10 CYS H H 5.191 -2.123 4.745 1.00 . A A . 10 CYS H 1 1 40 5354 1 1 10 CYS HA H 3.887 0.445 5.374 1.00 . A A . 10 CYS HA 1 1 40 5355 1 1 10 CYS HB2 H 2.965 -2.287 5.702 1.00 . A A . 10 CYS HB2 1 1 40 5356 1 1 10 CYS HB3 H 2.976 -1.429 7.240 1.00 . A A . 10 CYS HB3 1 1 40 5357 1 1 10 CYS N N 4.846 -1.216 4.610 1.00 . A A . 10 CYS N 1 1 40 5358 1 1 10 CYS O O 4.958 0.590 7.681 1.00 . A A . 10 CYS O 1 1 40 5359 1 1 10 CYS OXT O 6.089 -1.177 7.015 1.00 . A A . 10 CYS OXT 1 1 40 5360 1 1 10 CYS SG S 1.375 -0.513 5.729 1.00 . A A . 10 CYS SG 1 1 41 5361 1 1 1 ALA C C 2.710 4.398 1.353 1.00 . A A . 1 ALA C 1 1 41 5362 1 1 1 ALA CA C 3.080 5.804 1.813 1.00 . A A . 1 ALA CA 1 1 41 5363 1 1 1 ALA CB C 4.449 6.192 1.276 1.00 . A A . 1 ALA CB 1 1 41 5364 1 1 1 ALA H1 H 2.069 5.920 3.601 1.00 . A A . 1 ALA H1 1 1 41 5365 1 1 1 ALA H2 H 3.554 6.779 3.561 1.00 . A A . 1 ALA H2 1 1 41 5366 1 1 1 ALA H3 H 3.553 5.066 3.674 1.00 . A A . 1 ALA H3 1 1 41 5367 1 1 1 ALA HA H 2.355 6.501 1.419 1.00 . A A . 1 ALA HA 1 1 41 5368 1 1 1 ALA HB1 H 4.619 5.696 0.331 1.00 . A A . 1 ALA HB1 1 1 41 5369 1 1 1 ALA HB2 H 5.211 5.894 1.981 1.00 . A A . 1 ALA HB2 1 1 41 5370 1 1 1 ALA HB3 H 4.490 7.262 1.133 1.00 . A A . 1 ALA HB3 1 1 41 5371 1 1 1 ALA N N 3.063 5.901 3.296 1.00 . A A . 1 ALA N 1 1 41 5372 1 1 1 ALA O O 3.285 3.874 0.399 1.00 . A A . 1 ALA O 1 1 41 5373 1 1 2 CYS C C 0.212 2.494 0.637 1.00 . A A . 2 CYS C 1 1 41 5374 1 1 2 CYS CA C 1.295 2.455 1.711 1.00 . A A . 2 CYS CA 1 1 41 5375 1 1 2 CYS CB C 0.770 1.782 2.975 1.00 . A A . 2 CYS CB 1 1 41 5376 1 1 2 CYS H H 1.324 4.256 2.789 1.00 . A A . 2 CYS H 1 1 41 5377 1 1 2 CYS HA H 2.141 1.897 1.339 1.00 . A A . 2 CYS HA 1 1 41 5378 1 1 2 CYS HB2 H 0.880 2.466 3.803 1.00 . A A . 2 CYS HB2 1 1 41 5379 1 1 2 CYS HB3 H -0.271 1.557 2.844 1.00 . A A . 2 CYS HB3 1 1 41 5380 1 1 2 CYS N N 1.747 3.792 2.039 1.00 . A A . 2 CYS N 1 1 41 5381 1 1 2 CYS O O -0.347 3.550 0.344 1.00 . A A . 2 CYS O 1 1 41 5382 1 1 2 CYS SG S 1.636 0.242 3.421 1.00 . A A . 2 CYS SG 1 1 41 5383 1 1 3 LEU C C -2.410 0.704 -0.416 1.00 . A A . 3 LEU C 1 1 41 5384 1 1 3 LEU CA C -1.095 1.240 -0.988 1.00 . A A . 3 LEU CA 1 1 41 5385 1 1 3 LEU CB C -0.601 0.335 -2.120 1.00 . A A . 3 LEU CB 1 1 41 5386 1 1 3 LEU CD1 C 0.224 0.080 -4.474 1.00 . A A . 3 LEU CD1 1 1 41 5387 1 1 3 LEU CD2 C -1.735 1.556 -3.993 1.00 . A A . 3 LEU CD2 1 1 41 5388 1 1 3 LEU CG C -0.408 1.031 -3.469 1.00 . A A . 3 LEU CG 1 1 41 5389 1 1 3 LEU H H 0.402 0.526 0.331 1.00 . A A . 3 LEU H 1 1 41 5390 1 1 3 LEU HA H -1.260 2.232 -1.378 1.00 . A A . 3 LEU HA 1 1 41 5391 1 1 3 LEU HB2 H 0.346 -0.089 -1.822 1.00 . A A . 3 LEU HB2 1 1 41 5392 1 1 3 LEU HB3 H -1.311 -0.467 -2.253 1.00 . A A . 3 LEU HB3 1 1 41 5393 1 1 3 LEU HD11 H -0.546 -0.354 -5.093 1.00 . A A . 3 LEU HD11 1 1 41 5394 1 1 3 LEU HD12 H 0.747 -0.705 -3.947 1.00 . A A . 3 LEU HD12 1 1 41 5395 1 1 3 LEU HD13 H 0.922 0.623 -5.094 1.00 . A A . 3 LEU HD13 1 1 41 5396 1 1 3 LEU HD21 H -1.908 2.548 -3.602 1.00 . A A . 3 LEU HD21 1 1 41 5397 1 1 3 LEU HD22 H -2.532 0.900 -3.676 1.00 . A A . 3 LEU HD22 1 1 41 5398 1 1 3 LEU HD23 H -1.707 1.594 -5.071 1.00 . A A . 3 LEU HD23 1 1 41 5399 1 1 3 LEU HG H 0.258 1.871 -3.341 1.00 . A A . 3 LEU HG 1 1 41 5400 1 1 3 LEU N N -0.079 1.336 0.054 1.00 . A A . 3 LEU N 1 1 41 5401 1 1 3 LEU O O -2.419 -0.305 0.289 1.00 . A A . 3 LEU O 1 1 41 5402 1 1 4 PRO C C -5.226 -0.461 -0.655 1.00 . A A . 4 PRO C 1 1 41 5403 1 1 4 PRO CA C -4.860 0.951 -0.213 1.00 . A A . 4 PRO CA 1 1 41 5404 1 1 4 PRO CB C -5.825 1.965 -0.837 1.00 . A A . 4 PRO CB 1 1 41 5405 1 1 4 PRO CD C -3.638 2.588 -1.539 1.00 . A A . 4 PRO CD 1 1 41 5406 1 1 4 PRO CG C -4.979 3.145 -1.165 1.00 . A A . 4 PRO CG 1 1 41 5407 1 1 4 PRO HA H -4.915 1.014 0.864 1.00 . A A . 4 PRO HA 1 1 41 5408 1 1 4 PRO HB2 H -6.271 1.540 -1.725 1.00 . A A . 4 PRO HB2 1 1 41 5409 1 1 4 PRO HB3 H -6.596 2.218 -0.127 1.00 . A A . 4 PRO HB3 1 1 41 5410 1 1 4 PRO HD2 H -3.612 2.342 -2.590 1.00 . A A . 4 PRO HD2 1 1 41 5411 1 1 4 PRO HD3 H -2.855 3.288 -1.291 1.00 . A A . 4 PRO HD3 1 1 41 5412 1 1 4 PRO HG2 H -5.407 3.687 -1.996 1.00 . A A . 4 PRO HG2 1 1 41 5413 1 1 4 PRO HG3 H -4.891 3.787 -0.301 1.00 . A A . 4 PRO HG3 1 1 41 5414 1 1 4 PRO N N -3.544 1.372 -0.709 1.00 . A A . 4 PRO N 1 1 41 5415 1 1 4 PRO O O -5.723 -1.262 0.136 1.00 . A A . 4 PRO O 1 1 41 5416 1 1 5 TRP C C -4.059 -2.978 -2.467 1.00 . A A . 5 TRP C 1 1 41 5417 1 1 5 TRP CA C -5.290 -2.073 -2.479 1.00 . A A . 5 TRP CA 1 1 41 5418 1 1 5 TRP CB C -5.831 -1.944 -3.910 1.00 . A A . 5 TRP CB 1 1 41 5419 1 1 5 TRP CD1 C -7.390 0.094 -3.929 1.00 . A A . 5 TRP CD1 1 1 41 5420 1 1 5 TRP CD2 C -5.487 0.382 -5.071 1.00 . A A . 5 TRP CD2 1 1 41 5421 1 1 5 TRP CE2 C -6.246 1.563 -5.162 1.00 . A A . 5 TRP CE2 1 1 41 5422 1 1 5 TRP CE3 C -4.246 0.328 -5.711 1.00 . A A . 5 TRP CE3 1 1 41 5423 1 1 5 TRP CG C -6.237 -0.547 -4.280 1.00 . A A . 5 TRP CG 1 1 41 5424 1 1 5 TRP CH2 C -4.586 2.598 -6.485 1.00 . A A . 5 TRP CH2 1 1 41 5425 1 1 5 TRP CZ2 C -5.805 2.679 -5.868 1.00 . A A . 5 TRP CZ2 1 1 41 5426 1 1 5 TRP CZ3 C -3.809 1.436 -6.411 1.00 . A A . 5 TRP CZ3 1 1 41 5427 1 1 5 TRP H H -4.586 -0.075 -2.509 1.00 . A A . 5 TRP H 1 1 41 5428 1 1 5 TRP HA H -6.052 -2.520 -1.858 1.00 . A A . 5 TRP HA 1 1 41 5429 1 1 5 TRP HB2 H -5.070 -2.262 -4.606 1.00 . A A . 5 TRP HB2 1 1 41 5430 1 1 5 TRP HB3 H -6.697 -2.582 -4.017 1.00 . A A . 5 TRP HB3 1 1 41 5431 1 1 5 TRP HD1 H -8.169 -0.344 -3.325 1.00 . A A . 5 TRP HD1 1 1 41 5432 1 1 5 TRP HE1 H -8.125 2.018 -4.347 1.00 . A A . 5 TRP HE1 1 1 41 5433 1 1 5 TRP HE3 H -3.633 -0.559 -5.663 1.00 . A A . 5 TRP HE3 1 1 41 5434 1 1 5 TRP HH2 H -4.205 3.440 -7.044 1.00 . A A . 5 TRP HH2 1 1 41 5435 1 1 5 TRP HZ2 H -6.393 3.583 -5.934 1.00 . A A . 5 TRP HZ2 1 1 41 5436 1 1 5 TRP HZ3 H -2.852 1.412 -6.912 1.00 . A A . 5 TRP HZ3 1 1 41 5437 1 1 5 TRP N N -4.981 -0.758 -1.927 1.00 . A A . 5 TRP N 1 1 41 5438 1 1 5 TRP NE1 N -7.404 1.363 -4.457 1.00 . A A . 5 TRP NE1 1 1 41 5439 1 1 5 TRP O O -3.986 -3.951 -3.217 1.00 . A A . 5 TRP O 1 1 41 5440 1 1 6 SER C C -0.851 -2.689 -0.625 1.00 . A A . 6 SER C 1 1 41 5441 1 1 6 SER CA C -1.864 -3.427 -1.493 1.00 . A A . 6 SER CA 1 1 41 5442 1 1 6 SER CB C -1.263 -3.701 -2.876 1.00 . A A . 6 SER CB 1 1 41 5443 1 1 6 SER H H -3.213 -1.863 -1.038 1.00 . A A . 6 SER H 1 1 41 5444 1 1 6 SER HA H -2.109 -4.367 -1.021 1.00 . A A . 6 SER HA 1 1 41 5445 1 1 6 SER HB2 H -1.832 -4.476 -3.366 1.00 . A A . 6 SER HB2 1 1 41 5446 1 1 6 SER HB3 H -1.299 -2.798 -3.467 1.00 . A A . 6 SER HB3 1 1 41 5447 1 1 6 SER HG H 0.112 -5.065 -2.575 1.00 . A A . 6 SER HG 1 1 41 5448 1 1 6 SER N N -3.095 -2.649 -1.610 1.00 . A A . 6 SER N 1 1 41 5449 1 1 6 SER O O 0.120 -2.127 -1.131 1.00 . A A . 6 SER O 1 1 41 5450 1 1 6 SER OG O 0.086 -4.125 -2.771 1.00 . A A . 6 SER OG 1 1 41 5451 1 1 7 ASP C C 1.263 -2.201 1.275 1.00 . A A . 7 ASP C 1 1 41 5452 1 1 7 ASP CA C -0.208 -2.013 1.638 1.00 . A A . 7 ASP CA 1 1 41 5453 1 1 7 ASP CB C -0.463 -2.530 3.055 1.00 . A A . 7 ASP CB 1 1 41 5454 1 1 7 ASP CG C -1.931 -2.488 3.431 1.00 . A A . 7 ASP CG 1 1 41 5455 1 1 7 ASP H H -1.885 -3.152 1.023 1.00 . A A . 7 ASP H 1 1 41 5456 1 1 7 ASP HA H -0.439 -0.959 1.606 1.00 . A A . 7 ASP HA 1 1 41 5457 1 1 7 ASP HB2 H -0.122 -3.552 3.126 1.00 . A A . 7 ASP HB2 1 1 41 5458 1 1 7 ASP HB3 H 0.087 -1.922 3.758 1.00 . A A . 7 ASP HB3 1 1 41 5459 1 1 7 ASP N N -1.090 -2.689 0.686 1.00 . A A . 7 ASP N 1 1 41 5460 1 1 7 ASP O O 1.943 -1.248 0.893 1.00 . A A . 7 ASP O 1 1 41 5461 1 1 7 ASP OD1 O -2.756 -3.027 2.663 1.00 . A A . 7 ASP OD1 1 1 41 5462 1 1 7 ASP OD2 O -2.257 -1.915 4.492 1.00 . A A . 7 ASP OD2 1 1 41 5463 1 1 8 GLY C C 4.069 -3.421 2.228 1.00 . A A . 8 GLY C 1 1 41 5464 1 1 8 GLY CA C 3.132 -3.720 1.072 1.00 . A A . 8 GLY CA 1 1 41 5465 1 1 8 GLY H H 1.157 -4.154 1.701 1.00 . A A . 8 GLY H 1 1 41 5466 1 1 8 GLY HA2 H 3.221 -4.764 0.811 1.00 . A A . 8 GLY HA2 1 1 41 5467 1 1 8 GLY HA3 H 3.422 -3.121 0.222 1.00 . A A . 8 GLY HA3 1 1 41 5468 1 1 8 GLY N N 1.746 -3.434 1.394 1.00 . A A . 8 GLY N 1 1 41 5469 1 1 8 GLY O O 3.726 -3.669 3.384 1.00 . A A . 8 GLY O 1 1 41 5470 1 1 9 PRO C C 5.780 -1.403 3.878 1.00 . A A . 9 PRO C 1 1 41 5471 1 1 9 PRO CA C 6.247 -2.553 2.993 1.00 . A A . 9 PRO CA 1 1 41 5472 1 1 9 PRO CB C 7.494 -2.148 2.203 1.00 . A A . 9 PRO CB 1 1 41 5473 1 1 9 PRO CD C 5.767 -2.548 0.602 1.00 . A A . 9 PRO CD 1 1 41 5474 1 1 9 PRO CG C 6.978 -1.703 0.879 1.00 . A A . 9 PRO CG 1 1 41 5475 1 1 9 PRO HA H 6.469 -3.412 3.609 1.00 . A A . 9 PRO HA 1 1 41 5476 1 1 9 PRO HB2 H 8.005 -1.348 2.719 1.00 . A A . 9 PRO HB2 1 1 41 5477 1 1 9 PRO HB3 H 8.152 -2.999 2.104 1.00 . A A . 9 PRO HB3 1 1 41 5478 1 1 9 PRO HD2 H 5.032 -1.983 0.048 1.00 . A A . 9 PRO HD2 1 1 41 5479 1 1 9 PRO HD3 H 6.044 -3.441 0.062 1.00 . A A . 9 PRO HD3 1 1 41 5480 1 1 9 PRO HG2 H 6.705 -0.659 0.924 1.00 . A A . 9 PRO HG2 1 1 41 5481 1 1 9 PRO HG3 H 7.729 -1.863 0.120 1.00 . A A . 9 PRO HG3 1 1 41 5482 1 1 9 PRO N N 5.269 -2.881 1.950 1.00 . A A . 9 PRO N 1 1 41 5483 1 1 9 PRO O O 5.765 -0.248 3.455 1.00 . A A . 9 PRO O 1 1 41 5484 1 1 10 CYS C C 5.067 -1.219 7.491 1.00 . A A . 10 CYS C 1 1 41 5485 1 1 10 CYS CA C 4.929 -0.723 6.055 1.00 . A A . 10 CYS CA 1 1 41 5486 1 1 10 CYS CB C 3.471 -0.362 5.764 1.00 . A A . 10 CYS CB 1 1 41 5487 1 1 10 CYS H H 5.432 -2.668 5.388 1.00 . A A . 10 CYS H 1 1 41 5488 1 1 10 CYS HA H 5.540 0.158 5.931 1.00 . A A . 10 CYS HA 1 1 41 5489 1 1 10 CYS HB2 H 2.942 -1.251 5.458 1.00 . A A . 10 CYS HB2 1 1 41 5490 1 1 10 CYS HB3 H 3.019 0.028 6.665 1.00 . A A . 10 CYS HB3 1 1 41 5491 1 1 10 CYS N N 5.398 -1.729 5.109 1.00 . A A . 10 CYS N 1 1 41 5492 1 1 10 CYS O O 4.498 -0.574 8.396 1.00 . A A . 10 CYS O 1 1 41 5493 1 1 10 CYS OXT O 5.743 -2.249 7.698 1.00 . A A . 10 CYS OXT 1 1 41 5494 1 1 10 CYS SG S 3.262 0.886 4.453 1.00 . A A . 10 CYS SG 1 1 42 5495 1 1 1 ALA C C 2.587 3.208 1.662 1.00 . A A . 1 ALA C 1 1 42 5496 1 1 1 ALA CA C 3.325 4.219 2.533 1.00 . A A . 1 ALA CA 1 1 42 5497 1 1 1 ALA CB C 2.480 4.587 3.743 1.00 . A A . 1 ALA CB 1 1 42 5498 1 1 1 ALA H1 H 4.030 6.148 2.428 1.00 . A A . 1 ALA H1 1 1 42 5499 1 1 1 ALA H2 H 2.806 5.769 1.285 1.00 . A A . 1 ALA H2 1 1 42 5500 1 1 1 ALA H3 H 4.402 5.176 1.066 1.00 . A A . 1 ALA H3 1 1 42 5501 1 1 1 ALA HA H 4.241 3.770 2.889 1.00 . A A . 1 ALA HA 1 1 42 5502 1 1 1 ALA HB1 H 2.759 3.965 4.580 1.00 . A A . 1 ALA HB1 1 1 42 5503 1 1 1 ALA HB2 H 1.436 4.435 3.513 1.00 . A A . 1 ALA HB2 1 1 42 5504 1 1 1 ALA HB3 H 2.645 5.624 3.995 1.00 . A A . 1 ALA HB3 1 1 42 5505 1 1 1 ALA N N 3.672 5.438 1.758 1.00 . A A . 1 ALA N 1 1 42 5506 1 1 1 ALA O O 2.365 3.444 0.475 1.00 . A A . 1 ALA O 1 1 42 5507 1 1 2 CYS C C 0.458 1.568 0.615 1.00 . A A . 2 CYS C 1 1 42 5508 1 1 2 CYS CA C 1.519 1.009 1.563 1.00 . A A . 2 CYS CA 1 1 42 5509 1 1 2 CYS CB C 0.859 0.045 2.561 1.00 . A A . 2 CYS CB 1 1 42 5510 1 1 2 CYS H H 2.442 1.945 3.202 1.00 . A A . 2 CYS H 1 1 42 5511 1 1 2 CYS HA H 2.246 0.462 0.982 1.00 . A A . 2 CYS HA 1 1 42 5512 1 1 2 CYS HB2 H -0.198 -0.011 2.359 1.00 . A A . 2 CYS HB2 1 1 42 5513 1 1 2 CYS HB3 H 1.296 -0.923 2.416 1.00 . A A . 2 CYS HB3 1 1 42 5514 1 1 2 CYS N N 2.222 2.075 2.263 1.00 . A A . 2 CYS N 1 1 42 5515 1 1 2 CYS O O 0.037 2.717 0.744 1.00 . A A . 2 CYS O 1 1 42 5516 1 1 2 CYS SG S 1.062 0.461 4.329 1.00 . A A . 2 CYS SG 1 1 42 5517 1 1 3 LEU C C -2.375 1.114 -0.701 1.00 . A A . 3 LEU C 1 1 42 5518 1 1 3 LEU CA C -0.974 1.155 -1.310 1.00 . A A . 3 LEU CA 1 1 42 5519 1 1 3 LEU CB C -0.907 0.254 -2.549 1.00 . A A . 3 LEU CB 1 1 42 5520 1 1 3 LEU CD1 C 0.057 0.364 -4.868 1.00 . A A . 3 LEU CD1 1 1 42 5521 1 1 3 LEU CD2 C 1.181 1.602 -3.014 1.00 . A A . 3 LEU CD2 1 1 42 5522 1 1 3 LEU CG C 0.382 0.359 -3.383 1.00 . A A . 3 LEU CG 1 1 42 5523 1 1 3 LEU H H 0.407 -0.160 -0.391 1.00 . A A . 3 LEU H 1 1 42 5524 1 1 3 LEU HA H -0.755 2.170 -1.604 1.00 . A A . 3 LEU HA 1 1 42 5525 1 1 3 LEU HB2 H -1.014 -0.770 -2.225 1.00 . A A . 3 LEU HB2 1 1 42 5526 1 1 3 LEU HB3 H -1.741 0.497 -3.188 1.00 . A A . 3 LEU HB3 1 1 42 5527 1 1 3 LEU HD11 H 0.077 -0.648 -5.245 1.00 . A A . 3 LEU HD11 1 1 42 5528 1 1 3 LEU HD12 H 0.788 0.959 -5.395 1.00 . A A . 3 LEU HD12 1 1 42 5529 1 1 3 LEU HD13 H -0.926 0.785 -5.020 1.00 . A A . 3 LEU HD13 1 1 42 5530 1 1 3 LEU HD21 H 0.558 2.477 -3.127 1.00 . A A . 3 LEU HD21 1 1 42 5531 1 1 3 LEU HD22 H 2.039 1.685 -3.665 1.00 . A A . 3 LEU HD22 1 1 42 5532 1 1 3 LEU HD23 H 1.513 1.526 -1.989 1.00 . A A . 3 LEU HD23 1 1 42 5533 1 1 3 LEU HG H 0.999 -0.505 -3.183 1.00 . A A . 3 LEU HG 1 1 42 5534 1 1 3 LEU N N 0.033 0.745 -0.338 1.00 . A A . 3 LEU N 1 1 42 5535 1 1 3 LEU O O -2.582 0.526 0.360 1.00 . A A . 3 LEU O 1 1 42 5536 1 1 4 PRO C C -5.283 0.414 -0.518 1.00 . A A . 4 PRO C 1 1 42 5537 1 1 4 PRO CA C -4.744 1.790 -0.887 1.00 . A A . 4 PRO CA 1 1 42 5538 1 1 4 PRO CB C -5.508 2.350 -2.086 1.00 . A A . 4 PRO CB 1 1 42 5539 1 1 4 PRO CD C -3.195 2.481 -2.639 1.00 . A A . 4 PRO CD 1 1 42 5540 1 1 4 PRO CG C -4.511 3.191 -2.799 1.00 . A A . 4 PRO CG 1 1 42 5541 1 1 4 PRO HA H -4.852 2.457 -0.044 1.00 . A A . 4 PRO HA 1 1 42 5542 1 1 4 PRO HB2 H -5.856 1.535 -2.705 1.00 . A A . 4 PRO HB2 1 1 42 5543 1 1 4 PRO HB3 H -6.347 2.935 -1.743 1.00 . A A . 4 PRO HB3 1 1 42 5544 1 1 4 PRO HD2 H -3.036 1.799 -3.461 1.00 . A A . 4 PRO HD2 1 1 42 5545 1 1 4 PRO HD3 H -2.387 3.193 -2.574 1.00 . A A . 4 PRO HD3 1 1 42 5546 1 1 4 PRO HG2 H -4.773 3.266 -3.844 1.00 . A A . 4 PRO HG2 1 1 42 5547 1 1 4 PRO HG3 H -4.466 4.171 -2.349 1.00 . A A . 4 PRO HG3 1 1 42 5548 1 1 4 PRO N N -3.357 1.748 -1.367 1.00 . A A . 4 PRO N 1 1 42 5549 1 1 4 PRO O O -6.019 0.264 0.457 1.00 . A A . 4 PRO O 1 1 42 5550 1 1 5 TRP C C -4.254 -2.801 -0.479 1.00 . A A . 5 TRP C 1 1 42 5551 1 1 5 TRP CA C -5.374 -1.951 -1.073 1.00 . A A . 5 TRP CA 1 1 42 5552 1 1 5 TRP CB C -5.892 -2.584 -2.374 1.00 . A A . 5 TRP CB 1 1 42 5553 1 1 5 TRP CD1 C -6.577 -0.968 -4.246 1.00 . A A . 5 TRP CD1 1 1 42 5554 1 1 5 TRP CD2 C -4.429 -1.589 -4.305 1.00 . A A . 5 TRP CD2 1 1 42 5555 1 1 5 TRP CE2 C -4.671 -0.713 -5.379 1.00 . A A . 5 TRP CE2 1 1 42 5556 1 1 5 TRP CE3 C -3.145 -2.109 -4.135 1.00 . A A . 5 TRP CE3 1 1 42 5557 1 1 5 TRP CG C -5.661 -1.742 -3.594 1.00 . A A . 5 TRP CG 1 1 42 5558 1 1 5 TRP CH2 C -2.425 -0.873 -6.091 1.00 . A A . 5 TRP CH2 1 1 42 5559 1 1 5 TRP CZ2 C -3.674 -0.348 -6.280 1.00 . A A . 5 TRP CZ2 1 1 42 5560 1 1 5 TRP CZ3 C -2.156 -1.746 -5.029 1.00 . A A . 5 TRP CZ3 1 1 42 5561 1 1 5 TRP H H -4.334 -0.401 -2.074 1.00 . A A . 5 TRP H 1 1 42 5562 1 1 5 TRP HA H -6.185 -1.907 -0.361 1.00 . A A . 5 TRP HA 1 1 42 5563 1 1 5 TRP HB2 H -5.398 -3.532 -2.528 1.00 . A A . 5 TRP HB2 1 1 42 5564 1 1 5 TRP HB3 H -6.955 -2.752 -2.282 1.00 . A A . 5 TRP HB3 1 1 42 5565 1 1 5 TRP HD1 H -7.610 -0.869 -3.950 1.00 . A A . 5 TRP HD1 1 1 42 5566 1 1 5 TRP HE1 H -6.440 0.258 -5.947 1.00 . A A . 5 TRP HE1 1 1 42 5567 1 1 5 TRP HE3 H -2.920 -2.780 -3.321 1.00 . A A . 5 TRP HE3 1 1 42 5568 1 1 5 TRP HH2 H -1.622 -0.617 -6.766 1.00 . A A . 5 TRP HH2 1 1 42 5569 1 1 5 TRP HZ2 H -3.866 0.325 -7.103 1.00 . A A . 5 TRP HZ2 1 1 42 5570 1 1 5 TRP HZ3 H -1.157 -2.141 -4.914 1.00 . A A . 5 TRP HZ3 1 1 42 5571 1 1 5 TRP N N -4.919 -0.586 -1.310 1.00 . A A . 5 TRP N 1 1 42 5572 1 1 5 TRP NE1 N -5.989 -0.348 -5.323 1.00 . A A . 5 TRP NE1 1 1 42 5573 1 1 5 TRP O O -4.151 -3.996 -0.756 1.00 . A A . 5 TRP O 1 1 42 5574 1 1 6 SER C C -1.323 -3.399 -0.049 1.00 . A A . 6 SER C 1 1 42 5575 1 1 6 SER CA C -2.309 -2.866 0.985 1.00 . A A . 6 SER CA 1 1 42 5576 1 1 6 SER CB C -2.827 -4.014 1.851 1.00 . A A . 6 SER CB 1 1 42 5577 1 1 6 SER H H -3.558 -1.220 0.527 1.00 . A A . 6 SER H 1 1 42 5578 1 1 6 SER HA H -1.798 -2.155 1.617 1.00 . A A . 6 SER HA 1 1 42 5579 1 1 6 SER HB2 H -3.574 -3.638 2.534 1.00 . A A . 6 SER HB2 1 1 42 5580 1 1 6 SER HB3 H -3.266 -4.770 1.216 1.00 . A A . 6 SER HB3 1 1 42 5581 1 1 6 SER HG H -1.344 -3.926 3.128 1.00 . A A . 6 SER HG 1 1 42 5582 1 1 6 SER N N -3.420 -2.173 0.344 1.00 . A A . 6 SER N 1 1 42 5583 1 1 6 SER O O -1.633 -4.322 -0.802 1.00 . A A . 6 SER O 1 1 42 5584 1 1 6 SER OG O -1.778 -4.601 2.601 1.00 . A A . 6 SER OG 1 1 42 5585 1 1 7 ASP C C 2.165 -2.377 -0.813 1.00 . A A . 7 ASP C 1 1 42 5586 1 1 7 ASP CA C 0.909 -3.221 -1.009 1.00 . A A . 7 ASP CA 1 1 42 5587 1 1 7 ASP CB C 0.413 -3.104 -2.453 1.00 . A A . 7 ASP CB 1 1 42 5588 1 1 7 ASP CG C 0.365 -4.446 -3.158 1.00 . A A . 7 ASP CG 1 1 42 5589 1 1 7 ASP H H 0.052 -2.082 0.554 1.00 . A A . 7 ASP H 1 1 42 5590 1 1 7 ASP HA H 1.150 -4.253 -0.802 1.00 . A A . 7 ASP HA 1 1 42 5591 1 1 7 ASP HB2 H -0.582 -2.684 -2.452 1.00 . A A . 7 ASP HB2 1 1 42 5592 1 1 7 ASP HB3 H 1.074 -2.452 -3.004 1.00 . A A . 7 ASP HB3 1 1 42 5593 1 1 7 ASP N N -0.133 -2.810 -0.075 1.00 . A A . 7 ASP N 1 1 42 5594 1 1 7 ASP O O 2.289 -1.290 -1.377 1.00 . A A . 7 ASP O 1 1 42 5595 1 1 7 ASP OD1 O -0.492 -5.278 -2.794 1.00 . A A . 7 ASP OD1 1 1 42 5596 1 1 7 ASP OD2 O 1.185 -4.664 -4.074 1.00 . A A . 7 ASP OD2 1 1 42 5597 1 1 8 GLY C C 4.661 -2.125 1.738 1.00 . A A . 8 GLY C 1 1 42 5598 1 1 8 GLY CA C 4.322 -2.166 0.259 1.00 . A A . 8 GLY CA 1 1 42 5599 1 1 8 GLY H H 2.932 -3.754 0.420 1.00 . A A . 8 GLY H 1 1 42 5600 1 1 8 GLY HA2 H 5.128 -2.649 -0.272 1.00 . A A . 8 GLY HA2 1 1 42 5601 1 1 8 GLY HA3 H 4.221 -1.154 -0.104 1.00 . A A . 8 GLY HA3 1 1 42 5602 1 1 8 GLY N N 3.089 -2.884 -0.005 1.00 . A A . 8 GLY N 1 1 42 5603 1 1 8 GLY O O 4.325 -3.050 2.477 1.00 . A A . 8 GLY O 1 1 42 5604 1 1 9 PRO C C 4.512 -0.621 4.509 1.00 . A A . 9 PRO C 1 1 42 5605 1 1 9 PRO CA C 5.710 -0.916 3.612 1.00 . A A . 9 PRO CA 1 1 42 5606 1 1 9 PRO CB C 6.675 0.270 3.602 1.00 . A A . 9 PRO CB 1 1 42 5607 1 1 9 PRO CD C 5.774 0.094 1.393 1.00 . A A . 9 PRO CD 1 1 42 5608 1 1 9 PRO CG C 6.268 1.078 2.419 1.00 . A A . 9 PRO CG 1 1 42 5609 1 1 9 PRO HA H 6.221 -1.796 3.975 1.00 . A A . 9 PRO HA 1 1 42 5610 1 1 9 PRO HB2 H 6.570 0.831 4.520 1.00 . A A . 9 PRO HB2 1 1 42 5611 1 1 9 PRO HB3 H 7.689 -0.087 3.505 1.00 . A A . 9 PRO HB3 1 1 42 5612 1 1 9 PRO HD2 H 4.949 0.512 0.836 1.00 . A A . 9 PRO HD2 1 1 42 5613 1 1 9 PRO HD3 H 6.575 -0.190 0.726 1.00 . A A . 9 PRO HD3 1 1 42 5614 1 1 9 PRO HG2 H 5.477 1.760 2.694 1.00 . A A . 9 PRO HG2 1 1 42 5615 1 1 9 PRO HG3 H 7.118 1.622 2.036 1.00 . A A . 9 PRO HG3 1 1 42 5616 1 1 9 PRO N N 5.332 -1.057 2.203 1.00 . A A . 9 PRO N 1 1 42 5617 1 1 9 PRO O O 3.991 0.494 4.519 1.00 . A A . 9 PRO O 1 1 42 5618 1 1 10 CYS C C 3.282 -2.000 7.556 1.00 . A A . 10 CYS C 1 1 42 5619 1 1 10 CYS CA C 2.943 -1.477 6.163 1.00 . A A . 10 CYS CA 1 1 42 5620 1 1 10 CYS CB C 1.722 -2.215 5.607 1.00 . A A . 10 CYS CB 1 1 42 5621 1 1 10 CYS H H 4.537 -2.494 5.210 1.00 . A A . 10 CYS H 1 1 42 5622 1 1 10 CYS HA H 2.715 -0.425 6.234 1.00 . A A . 10 CYS HA 1 1 42 5623 1 1 10 CYS HB2 H 1.989 -2.682 4.671 1.00 . A A . 10 CYS HB2 1 1 42 5624 1 1 10 CYS HB3 H 1.419 -2.978 6.310 1.00 . A A . 10 CYS HB3 1 1 42 5625 1 1 10 CYS N N 4.080 -1.628 5.261 1.00 . A A . 10 CYS N 1 1 42 5626 1 1 10 CYS O O 4.483 -2.044 7.896 1.00 . A A . 10 CYS O 1 1 42 5627 1 1 10 CYS OXT O 2.342 -2.362 8.296 1.00 . A A . 10 CYS OXT 1 1 42 5628 1 1 10 CYS SG S 0.280 -1.143 5.297 1.00 . A A . 10 CYS SG 1 1 43 5629 1 1 1 ALA C C 0.629 2.435 2.474 1.00 . A A . 1 ALA C 1 1 43 5630 1 1 1 ALA CA C -0.030 1.777 3.681 1.00 . A A . 1 ALA CA 1 1 43 5631 1 1 1 ALA CB C -1.545 1.850 3.557 1.00 . A A . 1 ALA CB 1 1 43 5632 1 1 1 ALA H1 H -0.141 3.288 5.070 1.00 . A A . 1 ALA H1 1 1 43 5633 1 1 1 ALA H2 H 1.428 2.625 4.860 1.00 . A A . 1 ALA H2 1 1 43 5634 1 1 1 ALA H3 H 0.230 1.748 5.722 1.00 . A A . 1 ALA H3 1 1 43 5635 1 1 1 ALA HA H 0.254 0.735 3.709 1.00 . A A . 1 ALA HA 1 1 43 5636 1 1 1 ALA HB1 H -1.846 1.485 2.587 1.00 . A A . 1 ALA HB1 1 1 43 5637 1 1 1 ALA HB2 H -1.865 2.876 3.671 1.00 . A A . 1 ALA HB2 1 1 43 5638 1 1 1 ALA HB3 H -1.999 1.245 4.327 1.00 . A A . 1 ALA HB3 1 1 43 5639 1 1 1 ALA N N 0.412 2.417 4.947 1.00 . A A . 1 ALA N 1 1 43 5640 1 1 1 ALA O O 0.295 3.564 2.115 1.00 . A A . 1 ALA O 1 1 43 5641 1 1 2 CYS C C 1.395 2.131 -0.571 1.00 . A A . 2 CYS C 1 1 43 5642 1 1 2 CYS CA C 2.254 2.240 0.681 1.00 . A A . 2 CYS CA 1 1 43 5643 1 1 2 CYS CB C 3.578 1.503 0.506 1.00 . A A . 2 CYS CB 1 1 43 5644 1 1 2 CYS H H 1.788 0.828 2.165 1.00 . A A . 2 CYS H 1 1 43 5645 1 1 2 CYS HA H 2.444 3.271 0.860 1.00 . A A . 2 CYS HA 1 1 43 5646 1 1 2 CYS HB2 H 3.684 0.788 1.308 1.00 . A A . 2 CYS HB2 1 1 43 5647 1 1 2 CYS HB3 H 3.565 0.978 -0.428 1.00 . A A . 2 CYS HB3 1 1 43 5648 1 1 2 CYS N N 1.562 1.724 1.845 1.00 . A A . 2 CYS N 1 1 43 5649 1 1 2 CYS O O 1.719 2.686 -1.620 1.00 . A A . 2 CYS O 1 1 43 5650 1 1 2 CYS SG S 5.048 2.579 0.540 1.00 . A A . 2 CYS SG 1 1 43 5651 1 1 3 LEU C C -2.094 1.204 -0.992 1.00 . A A . 3 LEU C 1 1 43 5652 1 1 3 LEU CA C -0.660 1.236 -1.525 1.00 . A A . 3 LEU CA 1 1 43 5653 1 1 3 LEU CB C -0.370 -0.059 -2.283 1.00 . A A . 3 LEU CB 1 1 43 5654 1 1 3 LEU CD1 C 2.086 -0.452 -1.947 1.00 . A A . 3 LEU CD1 1 1 43 5655 1 1 3 LEU CD2 C 0.976 -1.184 -4.058 1.00 . A A . 3 LEU CD2 1 1 43 5656 1 1 3 LEU CG C 0.997 -0.136 -2.960 1.00 . A A . 3 LEU CG 1 1 43 5657 1 1 3 LEU H H 0.110 1.032 0.442 1.00 . A A . 3 LEU H 1 1 43 5658 1 1 3 LEU HA H -0.555 2.070 -2.201 1.00 . A A . 3 LEU HA 1 1 43 5659 1 1 3 LEU HB2 H -0.451 -0.877 -1.590 1.00 . A A . 3 LEU HB2 1 1 43 5660 1 1 3 LEU HB3 H -1.127 -0.180 -3.043 1.00 . A A . 3 LEU HB3 1 1 43 5661 1 1 3 LEU HD11 H 2.927 0.206 -2.106 1.00 . A A . 3 LEU HD11 1 1 43 5662 1 1 3 LEU HD12 H 2.403 -1.477 -2.065 1.00 . A A . 3 LEU HD12 1 1 43 5663 1 1 3 LEU HD13 H 1.701 -0.309 -0.951 1.00 . A A . 3 LEU HD13 1 1 43 5664 1 1 3 LEU HD21 H -0.001 -1.201 -4.518 1.00 . A A . 3 LEU HD21 1 1 43 5665 1 1 3 LEU HD22 H 1.190 -2.154 -3.633 1.00 . A A . 3 LEU HD22 1 1 43 5666 1 1 3 LEU HD23 H 1.720 -0.943 -4.801 1.00 . A A . 3 LEU HD23 1 1 43 5667 1 1 3 LEU HG H 1.225 0.818 -3.409 1.00 . A A . 3 LEU HG 1 1 43 5668 1 1 3 LEU N N 0.292 1.426 -0.431 1.00 . A A . 3 LEU N 1 1 43 5669 1 1 3 LEU O O -2.372 0.550 0.013 1.00 . A A . 3 LEU O 1 1 43 5670 1 1 4 PRO C C -5.120 0.588 -1.308 1.00 . A A . 4 PRO C 1 1 43 5671 1 1 4 PRO CA C -4.436 1.951 -1.235 1.00 . A A . 4 PRO CA 1 1 43 5672 1 1 4 PRO CB C -5.090 2.918 -2.232 1.00 . A A . 4 PRO CB 1 1 43 5673 1 1 4 PRO CD C -2.798 2.718 -2.865 1.00 . A A . 4 PRO CD 1 1 43 5674 1 1 4 PRO CG C -3.962 3.664 -2.859 1.00 . A A . 4 PRO CG 1 1 43 5675 1 1 4 PRO HA H -4.534 2.345 -0.235 1.00 . A A . 4 PRO HA 1 1 43 5676 1 1 4 PRO HB2 H -5.646 2.356 -2.969 1.00 . A A . 4 PRO HB2 1 1 43 5677 1 1 4 PRO HB3 H -5.755 3.584 -1.705 1.00 . A A . 4 PRO HB3 1 1 43 5678 1 1 4 PRO HD2 H -2.814 2.104 -3.754 1.00 . A A . 4 PRO HD2 1 1 43 5679 1 1 4 PRO HD3 H -1.870 3.263 -2.794 1.00 . A A . 4 PRO HD3 1 1 43 5680 1 1 4 PRO HG2 H -4.222 3.945 -3.868 1.00 . A A . 4 PRO HG2 1 1 43 5681 1 1 4 PRO HG3 H -3.729 4.541 -2.271 1.00 . A A . 4 PRO HG3 1 1 43 5682 1 1 4 PRO N N -3.029 1.908 -1.658 1.00 . A A . 4 PRO N 1 1 43 5683 1 1 4 PRO O O -6.161 0.374 -0.685 1.00 . A A . 4 PRO O 1 1 43 5684 1 1 5 TRP C C -4.217 -2.740 -1.628 1.00 . A A . 5 TRP C 1 1 43 5685 1 1 5 TRP CA C -5.113 -1.663 -2.238 1.00 . A A . 5 TRP CA 1 1 43 5686 1 1 5 TRP CB C -5.354 -1.968 -3.719 1.00 . A A . 5 TRP CB 1 1 43 5687 1 1 5 TRP CD1 C -3.045 -1.302 -4.614 1.00 . A A . 5 TRP CD1 1 1 43 5688 1 1 5 TRP CD2 C -4.760 -0.399 -5.733 1.00 . A A . 5 TRP CD2 1 1 43 5689 1 1 5 TRP CE2 C -3.559 0.038 -6.323 1.00 . A A . 5 TRP CE2 1 1 43 5690 1 1 5 TRP CE3 C -5.972 0.041 -6.267 1.00 . A A . 5 TRP CE3 1 1 43 5691 1 1 5 TRP CG C -4.409 -1.259 -4.644 1.00 . A A . 5 TRP CG 1 1 43 5692 1 1 5 TRP CH2 C -4.740 1.309 -7.924 1.00 . A A . 5 TRP CH2 1 1 43 5693 1 1 5 TRP CZ2 C -3.538 0.894 -7.421 1.00 . A A . 5 TRP CZ2 1 1 43 5694 1 1 5 TRP CZ3 C -5.950 0.891 -7.357 1.00 . A A . 5 TRP CZ3 1 1 43 5695 1 1 5 TRP H H -3.720 -0.098 -2.560 1.00 . A A . 5 TRP H 1 1 43 5696 1 1 5 TRP HA H -6.063 -1.676 -1.724 1.00 . A A . 5 TRP HA 1 1 43 5697 1 1 5 TRP HB2 H -5.242 -3.029 -3.883 1.00 . A A . 5 TRP HB2 1 1 43 5698 1 1 5 TRP HB3 H -6.360 -1.674 -3.981 1.00 . A A . 5 TRP HB3 1 1 43 5699 1 1 5 TRP HD1 H -2.472 -1.868 -3.896 1.00 . A A . 5 TRP HD1 1 1 43 5700 1 1 5 TRP HE1 H -1.573 -0.401 -5.810 1.00 . A A . 5 TRP HE1 1 1 43 5701 1 1 5 TRP HE3 H -6.914 -0.268 -5.842 1.00 . A A . 5 TRP HE3 1 1 43 5702 1 1 5 TRP HH2 H -4.771 1.973 -8.775 1.00 . A A . 5 TRP HH2 1 1 43 5703 1 1 5 TRP HZ2 H -2.613 1.224 -7.871 1.00 . A A . 5 TRP HZ2 1 1 43 5704 1 1 5 TRP HZ3 H -6.879 1.242 -7.783 1.00 . A A . 5 TRP HZ3 1 1 43 5705 1 1 5 TRP N N -4.542 -0.327 -2.079 1.00 . A A . 5 TRP N 1 1 43 5706 1 1 5 TRP NE1 N -2.526 -0.527 -5.623 1.00 . A A . 5 TRP NE1 1 1 43 5707 1 1 5 TRP O O -4.615 -3.900 -1.523 1.00 . A A . 5 TRP O 1 1 43 5708 1 1 6 SER C C -0.949 -2.564 0.080 1.00 . A A . 6 SER C 1 1 43 5709 1 1 6 SER CA C -2.071 -3.304 -0.634 1.00 . A A . 6 SER CA 1 1 43 5710 1 1 6 SER CB C -1.490 -4.220 -1.712 1.00 . A A . 6 SER CB 1 1 43 5711 1 1 6 SER H H -2.739 -1.421 -1.334 1.00 . A A . 6 SER H 1 1 43 5712 1 1 6 SER HA H -2.610 -3.901 0.085 1.00 . A A . 6 SER HA 1 1 43 5713 1 1 6 SER HB2 H -2.239 -4.404 -2.466 1.00 . A A . 6 SER HB2 1 1 43 5714 1 1 6 SER HB3 H -0.634 -3.741 -2.164 1.00 . A A . 6 SER HB3 1 1 43 5715 1 1 6 SER HG H -1.821 -5.864 -0.700 1.00 . A A . 6 SER HG 1 1 43 5716 1 1 6 SER N N -3.009 -2.358 -1.228 1.00 . A A . 6 SER N 1 1 43 5717 1 1 6 SER O O 0.154 -2.437 -0.451 1.00 . A A . 6 SER O 1 1 43 5718 1 1 6 SER OG O -1.082 -5.460 -1.161 1.00 . A A . 6 SER OG 1 1 43 5719 1 1 7 ASP C C 1.154 -1.563 1.665 1.00 . A A . 7 ASP C 1 1 43 5720 1 1 7 ASP CA C -0.288 -1.316 2.095 1.00 . A A . 7 ASP CA 1 1 43 5721 1 1 7 ASP CB C -0.454 -1.673 3.573 1.00 . A A . 7 ASP CB 1 1 43 5722 1 1 7 ASP CG C -1.820 -1.294 4.112 1.00 . A A . 7 ASP CG 1 1 43 5723 1 1 7 ASP H H -2.154 -2.207 1.633 1.00 . A A . 7 ASP H 1 1 43 5724 1 1 7 ASP HA H -0.507 -0.268 1.963 1.00 . A A . 7 ASP HA 1 1 43 5725 1 1 7 ASP HB2 H -0.323 -2.738 3.696 1.00 . A A . 7 ASP HB2 1 1 43 5726 1 1 7 ASP HB3 H 0.298 -1.154 4.149 1.00 . A A . 7 ASP HB3 1 1 43 5727 1 1 7 ASP N N -1.249 -2.070 1.282 1.00 . A A . 7 ASP N 1 1 43 5728 1 1 7 ASP O O 1.800 -0.671 1.116 1.00 . A A . 7 ASP O 1 1 43 5729 1 1 7 ASP OD1 O -2.819 -1.502 3.393 1.00 . A A . 7 ASP OD1 1 1 43 5730 1 1 7 ASP OD2 O -1.889 -0.791 5.253 1.00 . A A . 7 ASP OD2 1 1 43 5731 1 1 8 GLY C C 4.001 -2.877 2.659 1.00 . A A . 8 GLY C 1 1 43 5732 1 1 8 GLY CA C 3.009 -3.111 1.535 1.00 . A A . 8 GLY CA 1 1 43 5733 1 1 8 GLY H H 1.082 -3.443 2.347 1.00 . A A . 8 GLY H 1 1 43 5734 1 1 8 GLY HA2 H 3.043 -4.152 1.252 1.00 . A A . 8 GLY HA2 1 1 43 5735 1 1 8 GLY HA3 H 3.296 -2.508 0.686 1.00 . A A . 8 GLY HA3 1 1 43 5736 1 1 8 GLY N N 1.648 -2.773 1.911 1.00 . A A . 8 GLY N 1 1 43 5737 1 1 8 GLY O O 3.635 -2.364 3.717 1.00 . A A . 8 GLY O 1 1 43 5738 1 1 9 PRO C C 6.804 -1.624 3.556 1.00 . A A . 9 PRO C 1 1 43 5739 1 1 9 PRO CA C 6.321 -3.068 3.472 1.00 . A A . 9 PRO CA 1 1 43 5740 1 1 9 PRO CB C 7.441 -3.981 2.975 1.00 . A A . 9 PRO CB 1 1 43 5741 1 1 9 PRO CD C 5.807 -3.866 1.227 1.00 . A A . 9 PRO CD 1 1 43 5742 1 1 9 PRO CG C 7.285 -3.986 1.494 1.00 . A A . 9 PRO CG 1 1 43 5743 1 1 9 PRO HA H 5.989 -3.396 4.446 1.00 . A A . 9 PRO HA 1 1 43 5744 1 1 9 PRO HB2 H 8.398 -3.578 3.272 1.00 . A A . 9 PRO HB2 1 1 43 5745 1 1 9 PRO HB3 H 7.314 -4.971 3.388 1.00 . A A . 9 PRO HB3 1 1 43 5746 1 1 9 PRO HD2 H 5.629 -3.232 0.371 1.00 . A A . 9 PRO HD2 1 1 43 5747 1 1 9 PRO HD3 H 5.372 -4.843 1.071 1.00 . A A . 9 PRO HD3 1 1 43 5748 1 1 9 PRO HG2 H 7.811 -3.145 1.067 1.00 . A A . 9 PRO HG2 1 1 43 5749 1 1 9 PRO HG3 H 7.664 -4.913 1.088 1.00 . A A . 9 PRO HG3 1 1 43 5750 1 1 9 PRO N N 5.279 -3.246 2.458 1.00 . A A . 9 PRO N 1 1 43 5751 1 1 9 PRO O O 7.878 -1.287 3.057 1.00 . A A . 9 PRO O 1 1 43 5752 1 1 10 CYS C C 6.047 1.126 5.748 1.00 . A A . 10 CYS C 1 1 43 5753 1 1 10 CYS CA C 6.352 0.635 4.337 1.00 . A A . 10 CYS CA 1 1 43 5754 1 1 10 CYS CB C 5.590 1.478 3.314 1.00 . A A . 10 CYS CB 1 1 43 5755 1 1 10 CYS H H 5.160 -1.100 4.567 1.00 . A A . 10 CYS H 1 1 43 5756 1 1 10 CYS HA H 7.412 0.734 4.155 1.00 . A A . 10 CYS HA 1 1 43 5757 1 1 10 CYS HB2 H 4.600 1.066 3.185 1.00 . A A . 10 CYS HB2 1 1 43 5758 1 1 10 CYS HB3 H 5.508 2.490 3.681 1.00 . A A . 10 CYS HB3 1 1 43 5759 1 1 10 CYS N N 6.004 -0.774 4.190 1.00 . A A . 10 CYS N 1 1 43 5760 1 1 10 CYS O O 6.264 2.327 6.016 1.00 . A A . 10 CYS O 1 1 43 5761 1 1 10 CYS OXT O 5.591 0.307 6.573 1.00 . A A . 10 CYS OXT 1 1 43 5762 1 1 10 CYS SG S 6.378 1.545 1.672 1.00 . A A . 10 CYS SG 1 1 44 5763 1 1 1 ALA C C 1.530 4.614 2.662 1.00 . A A . 1 ALA C 1 1 44 5764 1 1 1 ALA CA C 1.245 6.071 3.007 1.00 . A A . 1 ALA CA 1 1 44 5765 1 1 1 ALA CB C 1.046 6.885 1.737 1.00 . A A . 1 ALA CB 1 1 44 5766 1 1 1 ALA H1 H 2.611 5.947 4.540 1.00 . A A . 1 ALA H1 1 1 44 5767 1 1 1 ALA H2 H 1.989 7.522 4.259 1.00 . A A . 1 ALA H2 1 1 44 5768 1 1 1 ALA H3 H 3.142 6.848 3.182 1.00 . A A . 1 ALA H3 1 1 44 5769 1 1 1 ALA HA H 0.333 6.120 3.584 1.00 . A A . 1 ALA HA 1 1 44 5770 1 1 1 ALA HB1 H 2.006 7.195 1.353 1.00 . A A . 1 ALA HB1 1 1 44 5771 1 1 1 ALA HB2 H 0.448 7.756 1.958 1.00 . A A . 1 ALA HB2 1 1 44 5772 1 1 1 ALA HB3 H 0.541 6.280 0.998 1.00 . A A . 1 ALA HB3 1 1 44 5773 1 1 1 ALA N N 2.346 6.649 3.821 1.00 . A A . 1 ALA N 1 1 44 5774 1 1 1 ALA O O 2.601 4.284 2.151 1.00 . A A . 1 ALA O 1 1 44 5775 1 1 2 CYS C C 0.228 2.006 1.257 1.00 . A A . 2 CYS C 1 1 44 5776 1 1 2 CYS CA C 0.709 2.328 2.670 1.00 . A A . 2 CYS CA 1 1 44 5777 1 1 2 CYS CB C -0.098 1.537 3.699 1.00 . A A . 2 CYS CB 1 1 44 5778 1 1 2 CYS H H -0.265 4.058 3.353 1.00 . A A . 2 CYS H 1 1 44 5779 1 1 2 CYS HA H 1.751 2.075 2.757 1.00 . A A . 2 CYS HA 1 1 44 5780 1 1 2 CYS HB2 H -0.570 2.236 4.374 1.00 . A A . 2 CYS HB2 1 1 44 5781 1 1 2 CYS HB3 H -0.863 0.985 3.186 1.00 . A A . 2 CYS HB3 1 1 44 5782 1 1 2 CYS N N 0.567 3.743 2.946 1.00 . A A . 2 CYS N 1 1 44 5783 1 1 2 CYS O O -0.081 2.909 0.479 1.00 . A A . 2 CYS O 1 1 44 5784 1 1 2 CYS SG S 0.863 0.366 4.721 1.00 . A A . 2 CYS SG 1 1 44 5785 1 1 3 LEU C C -1.749 0.707 -0.620 1.00 . A A . 3 LEU C 1 1 44 5786 1 1 3 LEU CA C -0.292 0.296 -0.393 1.00 . A A . 3 LEU CA 1 1 44 5787 1 1 3 LEU CB C -0.144 -1.220 -0.545 1.00 . A A . 3 LEU CB 1 1 44 5788 1 1 3 LEU CD1 C 1.168 -3.193 -1.362 1.00 . A A . 3 LEU CD1 1 1 44 5789 1 1 3 LEU CD2 C 1.405 -0.981 -2.502 1.00 . A A . 3 LEU CD2 1 1 44 5790 1 1 3 LEU CG C 1.171 -1.684 -1.174 1.00 . A A . 3 LEU CG 1 1 44 5791 1 1 3 LEU H H 0.415 0.040 1.589 1.00 . A A . 3 LEU H 1 1 44 5792 1 1 3 LEU HA H 0.331 0.785 -1.125 1.00 . A A . 3 LEU HA 1 1 44 5793 1 1 3 LEU HB2 H -0.228 -1.667 0.433 1.00 . A A . 3 LEU HB2 1 1 44 5794 1 1 3 LEU HB3 H -0.956 -1.580 -1.158 1.00 . A A . 3 LEU HB3 1 1 44 5795 1 1 3 LEU HD11 H 2.185 -3.548 -1.441 1.00 . A A . 3 LEU HD11 1 1 44 5796 1 1 3 LEU HD12 H 0.629 -3.442 -2.264 1.00 . A A . 3 LEU HD12 1 1 44 5797 1 1 3 LEU HD13 H 0.688 -3.661 -0.515 1.00 . A A . 3 LEU HD13 1 1 44 5798 1 1 3 LEU HD21 H 1.991 -0.088 -2.339 1.00 . A A . 3 LEU HD21 1 1 44 5799 1 1 3 LEU HD22 H 0.455 -0.713 -2.941 1.00 . A A . 3 LEU HD22 1 1 44 5800 1 1 3 LEU HD23 H 1.936 -1.643 -3.171 1.00 . A A . 3 LEU HD23 1 1 44 5801 1 1 3 LEU HG H 1.987 -1.432 -0.512 1.00 . A A . 3 LEU HG 1 1 44 5802 1 1 3 LEU N N 0.160 0.719 0.929 1.00 . A A . 3 LEU N 1 1 44 5803 1 1 3 LEU O O -2.644 0.264 0.099 1.00 . A A . 3 LEU O 1 1 44 5804 1 1 4 PRO C C -4.340 0.914 -2.236 1.00 . A A . 4 PRO C 1 1 44 5805 1 1 4 PRO CA C -3.366 2.048 -1.922 1.00 . A A . 4 PRO CA 1 1 44 5806 1 1 4 PRO CB C -3.172 2.933 -3.158 1.00 . A A . 4 PRO CB 1 1 44 5807 1 1 4 PRO CD C -1.005 2.168 -2.519 1.00 . A A . 4 PRO CD 1 1 44 5808 1 1 4 PRO CG C -1.737 3.328 -3.128 1.00 . A A . 4 PRO CG 1 1 44 5809 1 1 4 PRO HA H -3.763 2.643 -1.113 1.00 . A A . 4 PRO HA 1 1 44 5810 1 1 4 PRO HB2 H -3.407 2.368 -4.048 1.00 . A A . 4 PRO HB2 1 1 44 5811 1 1 4 PRO HB3 H -3.819 3.795 -3.091 1.00 . A A . 4 PRO HB3 1 1 44 5812 1 1 4 PRO HD2 H -0.707 1.465 -3.284 1.00 . A A . 4 PRO HD2 1 1 44 5813 1 1 4 PRO HD3 H -0.145 2.513 -1.965 1.00 . A A . 4 PRO HD3 1 1 44 5814 1 1 4 PRO HG2 H -1.384 3.509 -4.133 1.00 . A A . 4 PRO HG2 1 1 44 5815 1 1 4 PRO HG3 H -1.611 4.212 -2.520 1.00 . A A . 4 PRO HG3 1 1 44 5816 1 1 4 PRO N N -2.008 1.573 -1.618 1.00 . A A . 4 PRO N 1 1 44 5817 1 1 4 PRO O O -5.549 1.060 -2.056 1.00 . A A . 4 PRO O 1 1 44 5818 1 1 5 TRP C C -4.394 -2.554 -2.154 1.00 . A A . 5 TRP C 1 1 44 5819 1 1 5 TRP CA C -4.656 -1.354 -3.066 1.00 . A A . 5 TRP CA 1 1 44 5820 1 1 5 TRP CB C -4.439 -1.758 -4.533 1.00 . A A . 5 TRP CB 1 1 44 5821 1 1 5 TRP CD1 C -1.949 -1.588 -5.127 1.00 . A A . 5 TRP CD1 1 1 44 5822 1 1 5 TRP CD2 C -3.202 0.085 -5.930 1.00 . A A . 5 TRP CD2 1 1 44 5823 1 1 5 TRP CE2 C -1.866 0.296 -6.323 1.00 . A A . 5 TRP CE2 1 1 44 5824 1 1 5 TRP CE3 C -4.173 1.011 -6.321 1.00 . A A . 5 TRP CE3 1 1 44 5825 1 1 5 TRP CG C -3.233 -1.126 -5.166 1.00 . A A . 5 TRP CG 1 1 44 5826 1 1 5 TRP CH2 C -2.451 2.284 -7.455 1.00 . A A . 5 TRP CH2 1 1 44 5827 1 1 5 TRP CZ2 C -1.479 1.394 -7.086 1.00 . A A . 5 TRP CZ2 1 1 44 5828 1 1 5 TRP CZ3 C -3.787 2.100 -7.079 1.00 . A A . 5 TRP CZ3 1 1 44 5829 1 1 5 TRP H H -2.846 -0.268 -2.850 1.00 . A A . 5 TRP H 1 1 44 5830 1 1 5 TRP HA H -5.685 -1.051 -2.942 1.00 . A A . 5 TRP HA 1 1 44 5831 1 1 5 TRP HB2 H -4.319 -2.830 -4.590 1.00 . A A . 5 TRP HB2 1 1 44 5832 1 1 5 TRP HB3 H -5.307 -1.470 -5.108 1.00 . A A . 5 TRP HB3 1 1 44 5833 1 1 5 TRP HD1 H -1.643 -2.491 -4.621 1.00 . A A . 5 TRP HD1 1 1 44 5834 1 1 5 TRP HE1 H -0.155 -0.855 -5.937 1.00 . A A . 5 TRP HE1 1 1 44 5835 1 1 5 TRP HE3 H -5.209 0.885 -6.042 1.00 . A A . 5 TRP HE3 1 1 44 5836 1 1 5 TRP HH2 H -2.195 3.150 -8.046 1.00 . A A . 5 TRP HH2 1 1 44 5837 1 1 5 TRP HZ2 H -0.453 1.550 -7.384 1.00 . A A . 5 TRP HZ2 1 1 44 5838 1 1 5 TRP HZ3 H -4.524 2.826 -7.390 1.00 . A A . 5 TRP HZ3 1 1 44 5839 1 1 5 TRP N N -3.815 -0.209 -2.717 1.00 . A A . 5 TRP N 1 1 44 5840 1 1 5 TRP NE1 N -1.121 -0.739 -5.821 1.00 . A A . 5 TRP NE1 1 1 44 5841 1 1 5 TRP O O -5.066 -3.579 -2.264 1.00 . A A . 5 TRP O 1 1 44 5842 1 1 6 SER C C -2.250 -2.989 0.823 1.00 . A A . 6 SER C 1 1 44 5843 1 1 6 SER CA C -3.083 -3.512 -0.347 1.00 . A A . 6 SER CA 1 1 44 5844 1 1 6 SER CB C -2.334 -4.614 -1.103 1.00 . A A . 6 SER CB 1 1 44 5845 1 1 6 SER H H -2.908 -1.598 -1.211 1.00 . A A . 6 SER H 1 1 44 5846 1 1 6 SER HA H -4.004 -3.918 0.040 1.00 . A A . 6 SER HA 1 1 44 5847 1 1 6 SER HB2 H -1.308 -4.312 -1.252 1.00 . A A . 6 SER HB2 1 1 44 5848 1 1 6 SER HB3 H -2.360 -5.526 -0.525 1.00 . A A . 6 SER HB3 1 1 44 5849 1 1 6 SER HG H -2.284 -4.679 -3.060 1.00 . A A . 6 SER HG 1 1 44 5850 1 1 6 SER N N -3.418 -2.430 -1.259 1.00 . A A . 6 SER N 1 1 44 5851 1 1 6 SER O O -2.472 -1.879 1.306 1.00 . A A . 6 SER O 1 1 44 5852 1 1 6 SER OG O -2.924 -4.859 -2.368 1.00 . A A . 6 SER OG 1 1 44 5853 1 1 7 ASP C C 1.014 -3.240 1.912 1.00 . A A . 7 ASP C 1 1 44 5854 1 1 7 ASP CA C -0.427 -3.410 2.383 1.00 . A A . 7 ASP CA 1 1 44 5855 1 1 7 ASP CB C -0.493 -4.454 3.506 1.00 . A A . 7 ASP CB 1 1 44 5856 1 1 7 ASP CG C -0.810 -5.849 2.999 1.00 . A A . 7 ASP CG 1 1 44 5857 1 1 7 ASP H H -1.168 -4.659 0.846 1.00 . A A . 7 ASP H 1 1 44 5858 1 1 7 ASP HA H -0.779 -2.463 2.765 1.00 . A A . 7 ASP HA 1 1 44 5859 1 1 7 ASP HB2 H 0.459 -4.486 4.014 1.00 . A A . 7 ASP HB2 1 1 44 5860 1 1 7 ASP HB3 H -1.260 -4.164 4.210 1.00 . A A . 7 ASP HB3 1 1 44 5861 1 1 7 ASP N N -1.294 -3.791 1.272 1.00 . A A . 7 ASP N 1 1 44 5862 1 1 7 ASP O O 1.494 -2.118 1.748 1.00 . A A . 7 ASP O 1 1 44 5863 1 1 7 ASP OD1 O -0.183 -6.277 2.007 1.00 . A A . 7 ASP OD1 1 1 44 5864 1 1 7 ASP OD2 O -1.685 -6.513 3.594 1.00 . A A . 7 ASP OD2 1 1 44 5865 1 1 8 GLY C C 4.006 -3.711 2.284 1.00 . A A . 8 GLY C 1 1 44 5866 1 1 8 GLY CA C 3.077 -4.308 1.243 1.00 . A A . 8 GLY CA 1 1 44 5867 1 1 8 GLY H H 1.266 -5.225 1.839 1.00 . A A . 8 GLY H 1 1 44 5868 1 1 8 GLY HA2 H 3.407 -5.310 1.015 1.00 . A A . 8 GLY HA2 1 1 44 5869 1 1 8 GLY HA3 H 3.129 -3.709 0.346 1.00 . A A . 8 GLY HA3 1 1 44 5870 1 1 8 GLY N N 1.699 -4.359 1.694 1.00 . A A . 8 GLY N 1 1 44 5871 1 1 8 GLY O O 3.551 -3.234 3.323 1.00 . A A . 8 GLY O 1 1 44 5872 1 1 9 PRO C C 6.290 -1.650 3.002 1.00 . A A . 9 PRO C 1 1 44 5873 1 1 9 PRO CA C 6.314 -3.174 2.964 1.00 . A A . 9 PRO CA 1 1 44 5874 1 1 9 PRO CB C 7.644 -3.675 2.402 1.00 . A A . 9 PRO CB 1 1 44 5875 1 1 9 PRO CD C 5.959 -4.272 0.816 1.00 . A A . 9 PRO CD 1 1 44 5876 1 1 9 PRO CG C 7.395 -3.842 0.943 1.00 . A A . 9 PRO CG 1 1 44 5877 1 1 9 PRO HA H 6.173 -3.561 3.963 1.00 . A A . 9 PRO HA 1 1 44 5878 1 1 9 PRO HB2 H 8.417 -2.944 2.591 1.00 . A A . 9 PRO HB2 1 1 44 5879 1 1 9 PRO HB3 H 7.906 -4.614 2.867 1.00 . A A . 9 PRO HB3 1 1 44 5880 1 1 9 PRO HD2 H 5.516 -3.849 -0.074 1.00 . A A . 9 PRO HD2 1 1 44 5881 1 1 9 PRO HD3 H 5.888 -5.350 0.798 1.00 . A A . 9 PRO HD3 1 1 44 5882 1 1 9 PRO HG2 H 7.551 -2.902 0.434 1.00 . A A . 9 PRO HG2 1 1 44 5883 1 1 9 PRO HG3 H 8.050 -4.601 0.543 1.00 . A A . 9 PRO HG3 1 1 44 5884 1 1 9 PRO N N 5.326 -3.723 2.031 1.00 . A A . 9 PRO N 1 1 44 5885 1 1 9 PRO O O 7.088 -0.990 2.335 1.00 . A A . 9 PRO O 1 1 44 5886 1 1 10 CYS C C 6.320 0.915 4.832 1.00 . A A . 10 CYS C 1 1 44 5887 1 1 10 CYS CA C 5.244 0.352 3.908 1.00 . A A . 10 CYS CA 1 1 44 5888 1 1 10 CYS CB C 3.859 0.725 4.438 1.00 . A A . 10 CYS CB 1 1 44 5889 1 1 10 CYS H H 4.762 -1.674 4.292 1.00 . A A . 10 CYS H 1 1 44 5890 1 1 10 CYS HA H 5.371 0.781 2.925 1.00 . A A . 10 CYS HA 1 1 44 5891 1 1 10 CYS HB2 H 3.804 0.474 5.487 1.00 . A A . 10 CYS HB2 1 1 44 5892 1 1 10 CYS HB3 H 3.711 1.789 4.321 1.00 . A A . 10 CYS HB3 1 1 44 5893 1 1 10 CYS N N 5.370 -1.096 3.785 1.00 . A A . 10 CYS N 1 1 44 5894 1 1 10 CYS O O 6.545 2.143 4.799 1.00 . A A . 10 CYS O 1 1 44 5895 1 1 10 CYS OXT O 6.926 0.122 5.583 1.00 . A A . 10 CYS OXT 1 1 44 5896 1 1 10 CYS SG S 2.482 -0.122 3.596 1.00 . A A . 10 CYS SG 1 1 45 5897 1 1 1 ALA C C 1.732 5.099 2.065 1.00 . A A . 1 ALA C 1 1 45 5898 1 1 1 ALA CA C 1.498 6.186 3.108 1.00 . A A . 1 ALA CA 1 1 45 5899 1 1 1 ALA CB C 0.337 7.077 2.690 1.00 . A A . 1 ALA CB 1 1 45 5900 1 1 1 ALA H1 H 2.748 7.729 2.572 1.00 . A A . 1 ALA H1 1 1 45 5901 1 1 1 ALA H2 H 3.543 6.363 3.241 1.00 . A A . 1 ALA H2 1 1 45 5902 1 1 1 ALA H3 H 2.664 7.431 4.257 1.00 . A A . 1 ALA H3 1 1 45 5903 1 1 1 ALA HA H 1.240 5.719 4.047 1.00 . A A . 1 ALA HA 1 1 45 5904 1 1 1 ALA HB1 H 0.304 7.948 3.328 1.00 . A A . 1 ALA HB1 1 1 45 5905 1 1 1 ALA HB2 H -0.589 6.528 2.781 1.00 . A A . 1 ALA HB2 1 1 45 5906 1 1 1 ALA HB3 H 0.472 7.387 1.664 1.00 . A A . 1 ALA HB3 1 1 45 5907 1 1 1 ALA N N 2.723 7.001 3.313 1.00 . A A . 1 ALA N 1 1 45 5908 1 1 1 ALA O O 2.202 5.374 0.961 1.00 . A A . 1 ALA O 1 1 45 5909 1 1 2 CYS C C 0.352 2.560 0.626 1.00 . A A . 2 CYS C 1 1 45 5910 1 1 2 CYS CA C 1.571 2.734 1.530 1.00 . A A . 2 CYS CA 1 1 45 5911 1 1 2 CYS CB C 1.808 1.474 2.356 1.00 . A A . 2 CYS CB 1 1 45 5912 1 1 2 CYS H H 1.031 3.700 3.313 1.00 . A A . 2 CYS H 1 1 45 5913 1 1 2 CYS HA H 2.439 2.921 0.916 1.00 . A A . 2 CYS HA 1 1 45 5914 1 1 2 CYS HB2 H 1.807 1.741 3.403 1.00 . A A . 2 CYS HB2 1 1 45 5915 1 1 2 CYS HB3 H 1.010 0.780 2.173 1.00 . A A . 2 CYS HB3 1 1 45 5916 1 1 2 CYS N N 1.401 3.862 2.423 1.00 . A A . 2 CYS N 1 1 45 5917 1 1 2 CYS O O -0.461 3.473 0.484 1.00 . A A . 2 CYS O 1 1 45 5918 1 1 2 CYS SG S 3.388 0.635 2.009 1.00 . A A . 2 CYS SG 1 1 45 5919 1 1 3 LEU C C -2.085 0.568 -0.099 1.00 . A A . 3 LEU C 1 1 45 5920 1 1 3 LEU CA C -0.884 1.096 -0.876 1.00 . A A . 3 LEU CA 1 1 45 5921 1 1 3 LEU CB C -0.473 0.066 -1.929 1.00 . A A . 3 LEU CB 1 1 45 5922 1 1 3 LEU CD1 C -1.347 0.608 -4.210 1.00 . A A . 3 LEU CD1 1 1 45 5923 1 1 3 LEU CD2 C 0.460 2.023 -3.206 1.00 . A A . 3 LEU CD2 1 1 45 5924 1 1 3 LEU CG C -0.120 0.620 -3.311 1.00 . A A . 3 LEU CG 1 1 45 5925 1 1 3 LEU H H 0.915 0.697 0.165 1.00 . A A . 3 LEU H 1 1 45 5926 1 1 3 LEU HA H -1.160 2.013 -1.372 1.00 . A A . 3 LEU HA 1 1 45 5927 1 1 3 LEU HB2 H 0.377 -0.468 -1.554 1.00 . A A . 3 LEU HB2 1 1 45 5928 1 1 3 LEU HB3 H -1.284 -0.631 -2.050 1.00 . A A . 3 LEU HB3 1 1 45 5929 1 1 3 LEU HD11 H -1.587 1.616 -4.508 1.00 . A A . 3 LEU HD11 1 1 45 5930 1 1 3 LEU HD12 H -2.182 0.182 -3.673 1.00 . A A . 3 LEU HD12 1 1 45 5931 1 1 3 LEU HD13 H -1.143 0.011 -5.087 1.00 . A A . 3 LEU HD13 1 1 45 5932 1 1 3 LEU HD21 H 1.002 2.257 -4.110 1.00 . A A . 3 LEU HD21 1 1 45 5933 1 1 3 LEU HD22 H 1.129 2.072 -2.360 1.00 . A A . 3 LEU HD22 1 1 45 5934 1 1 3 LEU HD23 H -0.342 2.734 -3.072 1.00 . A A . 3 LEU HD23 1 1 45 5935 1 1 3 LEU HG H 0.627 -0.017 -3.763 1.00 . A A . 3 LEU HG 1 1 45 5936 1 1 3 LEU N N 0.234 1.385 0.015 1.00 . A A . 3 LEU N 1 1 45 5937 1 1 3 LEU O O -2.035 -0.524 0.466 1.00 . A A . 3 LEU O 1 1 45 5938 1 1 4 PRO C C -4.856 -0.491 0.271 1.00 . A A . 4 PRO C 1 1 45 5939 1 1 4 PRO CA C -4.409 0.924 0.630 1.00 . A A . 4 PRO CA 1 1 45 5940 1 1 4 PRO CB C -5.446 1.934 0.139 1.00 . A A . 4 PRO CB 1 1 45 5941 1 1 4 PRO CD C -3.344 2.643 -0.732 1.00 . A A . 4 PRO CD 1 1 45 5942 1 1 4 PRO CG C -4.655 3.147 -0.199 1.00 . A A . 4 PRO CG 1 1 45 5943 1 1 4 PRO HA H -4.299 1.007 1.701 1.00 . A A . 4 PRO HA 1 1 45 5944 1 1 4 PRO HB2 H -5.953 1.537 -0.731 1.00 . A A . 4 PRO HB2 1 1 45 5945 1 1 4 PRO HB3 H -6.161 2.132 0.921 1.00 . A A . 4 PRO HB3 1 1 45 5946 1 1 4 PRO HD2 H -3.391 2.532 -1.805 1.00 . A A . 4 PRO HD2 1 1 45 5947 1 1 4 PRO HD3 H -2.542 3.310 -0.453 1.00 . A A . 4 PRO HD3 1 1 45 5948 1 1 4 PRO HG2 H -5.171 3.725 -0.952 1.00 . A A . 4 PRO HG2 1 1 45 5949 1 1 4 PRO HG3 H -4.496 3.741 0.689 1.00 . A A . 4 PRO HG3 1 1 45 5950 1 1 4 PRO N N -3.190 1.330 -0.073 1.00 . A A . 4 PRO N 1 1 45 5951 1 1 4 PRO O O -5.646 -1.099 0.992 1.00 . A A . 4 PRO O 1 1 45 5952 1 1 5 TRP C C -3.780 -2.902 -2.333 1.00 . A A . 5 TRP C 1 1 45 5953 1 1 5 TRP CA C -4.763 -2.335 -1.308 1.00 . A A . 5 TRP CA 1 1 45 5954 1 1 5 TRP CB C -6.164 -2.268 -1.923 1.00 . A A . 5 TRP CB 1 1 45 5955 1 1 5 TRP CD1 C -7.368 -0.009 -2.115 1.00 . A A . 5 TRP CD1 1 1 45 5956 1 1 5 TRP CD2 C -5.838 -0.373 -3.707 1.00 . A A . 5 TRP CD2 1 1 45 5957 1 1 5 TRP CE2 C -6.416 0.891 -3.923 1.00 . A A . 5 TRP CE2 1 1 45 5958 1 1 5 TRP CE3 C -4.848 -0.818 -4.584 1.00 . A A . 5 TRP CE3 1 1 45 5959 1 1 5 TRP CG C -6.463 -0.935 -2.547 1.00 . A A . 5 TRP CG 1 1 45 5960 1 1 5 TRP CH2 C -5.062 1.253 -5.823 1.00 . A A . 5 TRP CH2 1 1 45 5961 1 1 5 TRP CZ2 C -6.034 1.714 -4.980 1.00 . A A . 5 TRP CZ2 1 1 45 5962 1 1 5 TRP CZ3 C -4.469 -0.001 -5.633 1.00 . A A . 5 TRP CZ3 1 1 45 5963 1 1 5 TRP H H -3.766 -0.470 -1.412 1.00 . A A . 5 TRP H 1 1 45 5964 1 1 5 TRP HA H -4.788 -2.984 -0.447 1.00 . A A . 5 TRP HA 1 1 45 5965 1 1 5 TRP HB2 H -6.253 -3.024 -2.689 1.00 . A A . 5 TRP HB2 1 1 45 5966 1 1 5 TRP HB3 H -6.899 -2.450 -1.153 1.00 . A A . 5 TRP HB3 1 1 45 5967 1 1 5 TRP HD1 H -8.004 -0.136 -1.251 1.00 . A A . 5 TRP HD1 1 1 45 5968 1 1 5 TRP HE1 H -7.898 1.890 -2.836 1.00 . A A . 5 TRP HE1 1 1 45 5969 1 1 5 TRP HE3 H -4.380 -1.779 -4.451 1.00 . A A . 5 TRP HE3 1 1 45 5970 1 1 5 TRP HH2 H -4.736 1.857 -6.656 1.00 . A A . 5 TRP HH2 1 1 45 5971 1 1 5 TRP HZ2 H -6.482 2.684 -5.139 1.00 . A A . 5 TRP HZ2 1 1 45 5972 1 1 5 TRP HZ3 H -3.705 -0.330 -6.321 1.00 . A A . 5 TRP HZ3 1 1 45 5973 1 1 5 TRP N N -4.373 -1.003 -0.859 1.00 . A A . 5 TRP N 1 1 45 5974 1 1 5 TRP NE1 N -7.343 1.092 -2.938 1.00 . A A . 5 TRP NE1 1 1 45 5975 1 1 5 TRP O O -4.183 -3.618 -3.249 1.00 . A A . 5 TRP O 1 1 45 5976 1 1 6 SER C C -0.062 -2.964 -2.599 1.00 . A A . 6 SER C 1 1 45 5977 1 1 6 SER CA C -1.492 -3.093 -3.126 1.00 . A A . 6 SER CA 1 1 45 5978 1 1 6 SER CB C -1.618 -2.371 -4.469 1.00 . A A . 6 SER CB 1 1 45 5979 1 1 6 SER H H -2.220 -2.016 -1.437 1.00 . A A . 6 SER H 1 1 45 5980 1 1 6 SER HA H -1.698 -4.139 -3.278 1.00 . A A . 6 SER HA 1 1 45 5981 1 1 6 SER HB2 H -2.412 -1.642 -4.410 1.00 . A A . 6 SER HB2 1 1 45 5982 1 1 6 SER HB3 H -0.688 -1.872 -4.699 1.00 . A A . 6 SER HB3 1 1 45 5983 1 1 6 SER HG H -2.833 -3.559 -5.445 1.00 . A A . 6 SER HG 1 1 45 5984 1 1 6 SER N N -2.494 -2.589 -2.184 1.00 . A A . 6 SER N 1 1 45 5985 1 1 6 SER O O 0.896 -3.042 -3.369 1.00 . A A . 6 SER O 1 1 45 5986 1 1 6 SER OG O -1.916 -3.283 -5.512 1.00 . A A . 6 SER OG 1 1 45 5987 1 1 7 ASP C C 1.282 -2.485 0.829 1.00 . A A . 7 ASP C 1 1 45 5988 1 1 7 ASP CA C 1.403 -2.686 -0.677 1.00 . A A . 7 ASP CA 1 1 45 5989 1 1 7 ASP CB C 2.222 -1.551 -1.298 1.00 . A A . 7 ASP CB 1 1 45 5990 1 1 7 ASP CG C 3.700 -1.882 -1.375 1.00 . A A . 7 ASP CG 1 1 45 5991 1 1 7 ASP H H -0.714 -2.762 -0.727 1.00 . A A . 7 ASP H 1 1 45 5992 1 1 7 ASP HA H 1.913 -3.615 -0.860 1.00 . A A . 7 ASP HA 1 1 45 5993 1 1 7 ASP HB2 H 1.865 -1.359 -2.298 1.00 . A A . 7 ASP HB2 1 1 45 5994 1 1 7 ASP HB3 H 2.103 -0.660 -0.699 1.00 . A A . 7 ASP HB3 1 1 45 5995 1 1 7 ASP N N 0.082 -2.794 -1.293 1.00 . A A . 7 ASP N 1 1 45 5996 1 1 7 ASP O O 1.372 -1.361 1.324 1.00 . A A . 7 ASP O 1 1 45 5997 1 1 7 ASP OD1 O 4.323 -2.071 -0.310 1.00 . A A . 7 ASP OD1 1 1 45 5998 1 1 7 ASP OD2 O 4.234 -1.953 -2.502 1.00 . A A . 7 ASP OD2 1 1 45 5999 1 1 8 GLY C C 2.238 -3.125 3.684 1.00 . A A . 8 GLY C 1 1 45 6000 1 1 8 GLY CA C 0.941 -3.505 2.995 1.00 . A A . 8 GLY CA 1 1 45 6001 1 1 8 GLY H H 1.009 -4.448 1.101 1.00 . A A . 8 GLY H 1 1 45 6002 1 1 8 GLY HA2 H 0.189 -2.768 3.237 1.00 . A A . 8 GLY HA2 1 1 45 6003 1 1 8 GLY HA3 H 0.618 -4.467 3.365 1.00 . A A . 8 GLY HA3 1 1 45 6004 1 1 8 GLY N N 1.075 -3.580 1.552 1.00 . A A . 8 GLY N 1 1 45 6005 1 1 8 GLY O O 2.315 -2.079 4.329 1.00 . A A . 8 GLY O 1 1 45 6006 1 1 9 PRO C C 5.213 -2.396 3.691 1.00 . A A . 9 PRO C 1 1 45 6007 1 1 9 PRO CA C 4.585 -3.692 4.193 1.00 . A A . 9 PRO CA 1 1 45 6008 1 1 9 PRO CB C 5.444 -4.896 3.788 1.00 . A A . 9 PRO CB 1 1 45 6009 1 1 9 PRO CD C 3.287 -5.228 2.819 1.00 . A A . 9 PRO CD 1 1 45 6010 1 1 9 PRO CG C 4.750 -5.493 2.612 1.00 . A A . 9 PRO CG 1 1 45 6011 1 1 9 PRO HA H 4.501 -3.653 5.270 1.00 . A A . 9 PRO HA 1 1 45 6012 1 1 9 PRO HB2 H 6.438 -4.560 3.531 1.00 . A A . 9 PRO HB2 1 1 45 6013 1 1 9 PRO HB3 H 5.497 -5.595 4.610 1.00 . A A . 9 PRO HB3 1 1 45 6014 1 1 9 PRO HD2 H 2.785 -5.120 1.870 1.00 . A A . 9 PRO HD2 1 1 45 6015 1 1 9 PRO HD3 H 2.837 -6.020 3.400 1.00 . A A . 9 PRO HD3 1 1 45 6016 1 1 9 PRO HG2 H 5.093 -5.020 1.704 1.00 . A A . 9 PRO HG2 1 1 45 6017 1 1 9 PRO HG3 H 4.937 -6.556 2.576 1.00 . A A . 9 PRO HG3 1 1 45 6018 1 1 9 PRO N N 3.285 -3.960 3.567 1.00 . A A . 9 PRO N 1 1 45 6019 1 1 9 PRO O O 5.381 -2.201 2.487 1.00 . A A . 9 PRO O 1 1 45 6020 1 1 10 CYS C C 7.406 0.024 5.129 1.00 . A A . 10 CYS C 1 1 45 6021 1 1 10 CYS CA C 6.167 -0.234 4.277 1.00 . A A . 10 CYS CA 1 1 45 6022 1 1 10 CYS CB C 5.157 0.902 4.459 1.00 . A A . 10 CYS CB 1 1 45 6023 1 1 10 CYS H H 5.397 -1.726 5.566 1.00 . A A . 10 CYS H 1 1 45 6024 1 1 10 CYS HA H 6.462 -0.279 3.239 1.00 . A A . 10 CYS HA 1 1 45 6025 1 1 10 CYS HB2 H 4.233 0.493 4.840 1.00 . A A . 10 CYS HB2 1 1 45 6026 1 1 10 CYS HB3 H 5.549 1.614 5.171 1.00 . A A . 10 CYS HB3 1 1 45 6027 1 1 10 CYS N N 5.557 -1.513 4.623 1.00 . A A . 10 CYS N 1 1 45 6028 1 1 10 CYS O O 8.527 -0.069 4.586 1.00 . A A . 10 CYS O 1 1 45 6029 1 1 10 CYS OXT O 7.245 0.317 6.333 1.00 . A A . 10 CYS OXT 1 1 45 6030 1 1 10 CYS SG S 4.770 1.806 2.926 1.00 . A A . 10 CYS SG 1 1 46 6031 1 1 1 ALA C C 2.364 4.444 1.225 1.00 . A A . 1 ALA C 1 1 46 6032 1 1 1 ALA CA C 2.802 5.810 1.746 1.00 . A A . 1 ALA CA 1 1 46 6033 1 1 1 ALA CB C 1.893 6.902 1.199 1.00 . A A . 1 ALA CB 1 1 46 6034 1 1 1 ALA H1 H 4.761 5.218 1.542 1.00 . A A . 1 ALA H1 1 1 46 6035 1 1 1 ALA H2 H 4.552 6.859 2.000 1.00 . A A . 1 ALA H2 1 1 46 6036 1 1 1 ALA H3 H 4.238 6.370 0.385 1.00 . A A . 1 ALA H3 1 1 46 6037 1 1 1 ALA HA H 2.719 5.814 2.823 1.00 . A A . 1 ALA HA 1 1 46 6038 1 1 1 ALA HB1 H 2.231 7.191 0.215 1.00 . A A . 1 ALA HB1 1 1 46 6039 1 1 1 ALA HB2 H 1.924 7.758 1.857 1.00 . A A . 1 ALA HB2 1 1 46 6040 1 1 1 ALA HB3 H 0.881 6.531 1.139 1.00 . A A . 1 ALA HB3 1 1 46 6041 1 1 1 ALA N N 4.216 6.089 1.386 1.00 . A A . 1 ALA N 1 1 46 6042 1 1 1 ALA O O 1.445 4.345 0.412 1.00 . A A . 1 ALA O 1 1 46 6043 1 1 2 CYS C C 1.256 1.809 1.065 1.00 . A A . 2 CYS C 1 1 46 6044 1 1 2 CYS CA C 2.753 2.025 1.286 1.00 . A A . 2 CYS CA 1 1 46 6045 1 1 2 CYS CB C 3.262 1.026 2.336 1.00 . A A . 2 CYS CB 1 1 46 6046 1 1 2 CYS H H 3.770 3.545 2.324 1.00 . A A . 2 CYS H 1 1 46 6047 1 1 2 CYS HA H 3.269 1.844 0.355 1.00 . A A . 2 CYS HA 1 1 46 6048 1 1 2 CYS HB2 H 2.444 0.407 2.667 1.00 . A A . 2 CYS HB2 1 1 46 6049 1 1 2 CYS HB3 H 4.003 0.408 1.867 1.00 . A A . 2 CYS HB3 1 1 46 6050 1 1 2 CYS N N 3.042 3.395 1.693 1.00 . A A . 2 CYS N 1 1 46 6051 1 1 2 CYS O O 0.433 2.211 1.888 1.00 . A A . 2 CYS O 1 1 46 6052 1 1 2 CYS SG S 4.039 1.752 3.823 1.00 . A A . 2 CYS SG 1 1 46 6053 1 1 3 LEU C C -1.194 0.198 0.783 1.00 . A A . 3 LEU C 1 1 46 6054 1 1 3 LEU CA C -0.484 0.897 -0.378 1.00 . A A . 3 LEU CA 1 1 46 6055 1 1 3 LEU CB C -0.568 0.027 -1.634 1.00 . A A . 3 LEU CB 1 1 46 6056 1 1 3 LEU CD1 C -1.707 1.105 -3.592 1.00 . A A . 3 LEU CD1 1 1 46 6057 1 1 3 LEU CD2 C 0.481 2.012 -2.791 1.00 . A A . 3 LEU CD2 1 1 46 6058 1 1 3 LEU CG C -0.365 0.757 -2.969 1.00 . A A . 3 LEU CG 1 1 46 6059 1 1 3 LEU H H 1.613 0.873 -0.666 1.00 . A A . 3 LEU H 1 1 46 6060 1 1 3 LEU HA H -0.970 1.840 -0.571 1.00 . A A . 3 LEU HA 1 1 46 6061 1 1 3 LEU HB2 H 0.179 -0.746 -1.557 1.00 . A A . 3 LEU HB2 1 1 46 6062 1 1 3 LEU HB3 H -1.541 -0.442 -1.653 1.00 . A A . 3 LEU HB3 1 1 46 6063 1 1 3 LEU HD11 H -1.643 0.998 -4.665 1.00 . A A . 3 LEU HD11 1 1 46 6064 1 1 3 LEU HD12 H -1.965 2.124 -3.346 1.00 . A A . 3 LEU HD12 1 1 46 6065 1 1 3 LEU HD13 H -2.464 0.438 -3.209 1.00 . A A . 3 LEU HD13 1 1 46 6066 1 1 3 LEU HD21 H 0.011 2.664 -2.069 1.00 . A A . 3 LEU HD21 1 1 46 6067 1 1 3 LEU HD22 H 0.568 2.525 -3.737 1.00 . A A . 3 LEU HD22 1 1 46 6068 1 1 3 LEU HD23 H 1.465 1.736 -2.440 1.00 . A A . 3 LEU HD23 1 1 46 6069 1 1 3 LEU HG H 0.154 0.099 -3.652 1.00 . A A . 3 LEU HG 1 1 46 6070 1 1 3 LEU N N 0.911 1.170 -0.049 1.00 . A A . 3 LEU N 1 1 46 6071 1 1 3 LEU O O -0.944 -0.976 1.055 1.00 . A A . 3 LEU O 1 1 46 6072 1 1 4 PRO C C -3.523 -0.963 2.287 1.00 . A A . 4 PRO C 1 1 46 6073 1 1 4 PRO CA C -2.831 0.354 2.623 1.00 . A A . 4 PRO CA 1 1 46 6074 1 1 4 PRO CB C -3.872 1.431 2.929 1.00 . A A . 4 PRO CB 1 1 46 6075 1 1 4 PRO CD C -2.449 2.323 1.236 1.00 . A A . 4 PRO CD 1 1 46 6076 1 1 4 PRO CG C -3.257 2.697 2.446 1.00 . A A . 4 PRO CG 1 1 46 6077 1 1 4 PRO HA H -2.191 0.214 3.482 1.00 . A A . 4 PRO HA 1 1 46 6078 1 1 4 PRO HB2 H -4.789 1.209 2.401 1.00 . A A . 4 PRO HB2 1 1 46 6079 1 1 4 PRO HB3 H -4.061 1.464 3.991 1.00 . A A . 4 PRO HB3 1 1 46 6080 1 1 4 PRO HD2 H -3.046 2.415 0.340 1.00 . A A . 4 PRO HD2 1 1 46 6081 1 1 4 PRO HD3 H -1.565 2.939 1.167 1.00 . A A . 4 PRO HD3 1 1 46 6082 1 1 4 PRO HG2 H -4.030 3.403 2.179 1.00 . A A . 4 PRO HG2 1 1 46 6083 1 1 4 PRO HG3 H -2.618 3.111 3.211 1.00 . A A . 4 PRO HG3 1 1 46 6084 1 1 4 PRO N N -2.089 0.913 1.487 1.00 . A A . 4 PRO N 1 1 46 6085 1 1 4 PRO O O -3.828 -1.758 3.177 1.00 . A A . 4 PRO O 1 1 46 6086 1 1 5 TRP C C -3.866 -2.925 -0.744 1.00 . A A . 5 TRP C 1 1 46 6087 1 1 5 TRP CA C -4.456 -2.402 0.563 1.00 . A A . 5 TRP CA 1 1 46 6088 1 1 5 TRP CB C -5.952 -2.133 0.383 1.00 . A A . 5 TRP CB 1 1 46 6089 1 1 5 TRP CD1 C -5.988 -0.378 -1.482 1.00 . A A . 5 TRP CD1 1 1 46 6090 1 1 5 TRP CD2 C -6.830 0.337 0.465 1.00 . A A . 5 TRP CD2 1 1 46 6091 1 1 5 TRP CE2 C -6.905 1.387 -0.470 1.00 . A A . 5 TRP CE2 1 1 46 6092 1 1 5 TRP CE3 C -7.302 0.554 1.762 1.00 . A A . 5 TRP CE3 1 1 46 6093 1 1 5 TRP CG C -6.242 -0.785 -0.205 1.00 . A A . 5 TRP CG 1 1 46 6094 1 1 5 TRP CH2 C -7.887 2.820 1.129 1.00 . A A . 5 TRP CH2 1 1 46 6095 1 1 5 TRP CZ2 C -7.433 2.634 -0.148 1.00 . A A . 5 TRP CZ2 1 1 46 6096 1 1 5 TRP CZ3 C -7.825 1.794 2.081 1.00 . A A . 5 TRP CZ3 1 1 46 6097 1 1 5 TRP H H -3.528 -0.511 0.338 1.00 . A A . 5 TRP H 1 1 46 6098 1 1 5 TRP HA H -4.325 -3.150 1.329 1.00 . A A . 5 TRP HA 1 1 46 6099 1 1 5 TRP HB2 H -6.370 -2.881 -0.275 1.00 . A A . 5 TRP HB2 1 1 46 6100 1 1 5 TRP HB3 H -6.441 -2.192 1.344 1.00 . A A . 5 TRP HB3 1 1 46 6101 1 1 5 TRP HD1 H -5.540 -1.001 -2.240 1.00 . A A . 5 TRP HD1 1 1 46 6102 1 1 5 TRP HE1 H -6.310 1.442 -2.480 1.00 . A A . 5 TRP HE1 1 1 46 6103 1 1 5 TRP HE3 H -7.262 -0.224 2.509 1.00 . A A . 5 TRP HE3 1 1 46 6104 1 1 5 TRP HH2 H -8.303 3.772 1.423 1.00 . A A . 5 TRP HH2 1 1 46 6105 1 1 5 TRP HZ2 H -7.487 3.435 -0.870 1.00 . A A . 5 TRP HZ2 1 1 46 6106 1 1 5 TRP HZ3 H -8.194 1.980 3.079 1.00 . A A . 5 TRP HZ3 1 1 46 6107 1 1 5 TRP N N -3.783 -1.185 1.003 1.00 . A A . 5 TRP N 1 1 46 6108 1 1 5 TRP NE1 N -6.386 0.926 -1.650 1.00 . A A . 5 TRP NE1 1 1 46 6109 1 1 5 TRP O O -4.557 -3.577 -1.527 1.00 . A A . 5 TRP O 1 1 46 6110 1 1 6 SER C C -0.407 -3.120 -1.993 1.00 . A A . 6 SER C 1 1 46 6111 1 1 6 SER CA C -1.924 -3.081 -2.192 1.00 . A A . 6 SER CA 1 1 46 6112 1 1 6 SER CB C -2.304 -2.162 -3.358 1.00 . A A . 6 SER CB 1 1 46 6113 1 1 6 SER H H -2.086 -2.112 -0.326 1.00 . A A . 6 SER H 1 1 46 6114 1 1 6 SER HA H -2.267 -4.080 -2.411 1.00 . A A . 6 SER HA 1 1 46 6115 1 1 6 SER HB2 H -1.593 -1.353 -3.423 1.00 . A A . 6 SER HB2 1 1 46 6116 1 1 6 SER HB3 H -2.291 -2.727 -4.278 1.00 . A A . 6 SER HB3 1 1 46 6117 1 1 6 SER HG H -3.774 -0.971 -3.866 1.00 . A A . 6 SER HG 1 1 46 6118 1 1 6 SER N N -2.590 -2.637 -0.979 1.00 . A A . 6 SER N 1 1 46 6119 1 1 6 SER O O 0.074 -3.471 -0.916 1.00 . A A . 6 SER O 1 1 46 6120 1 1 6 SER OG O -3.599 -1.615 -3.176 1.00 . A A . 6 SER OG 1 1 46 6121 1 1 7 ASP C C 2.314 -1.840 -1.897 1.00 . A A . 7 ASP C 1 1 46 6122 1 1 7 ASP CA C 1.793 -2.771 -2.986 1.00 . A A . 7 ASP CA 1 1 46 6123 1 1 7 ASP CB C 2.369 -2.359 -4.342 1.00 . A A . 7 ASP CB 1 1 46 6124 1 1 7 ASP CG C 3.882 -2.461 -4.383 1.00 . A A . 7 ASP CG 1 1 46 6125 1 1 7 ASP H H -0.107 -2.510 -3.861 1.00 . A A . 7 ASP H 1 1 46 6126 1 1 7 ASP HA H 2.112 -3.775 -2.763 1.00 . A A . 7 ASP HA 1 1 46 6127 1 1 7 ASP HB2 H 1.964 -3.002 -5.109 1.00 . A A . 7 ASP HB2 1 1 46 6128 1 1 7 ASP HB3 H 2.089 -1.337 -4.550 1.00 . A A . 7 ASP HB3 1 1 46 6129 1 1 7 ASP N N 0.336 -2.769 -3.036 1.00 . A A . 7 ASP N 1 1 46 6130 1 1 7 ASP O O 2.672 -0.692 -2.163 1.00 . A A . 7 ASP O 1 1 46 6131 1 1 7 ASP OD1 O 4.542 -1.836 -3.526 1.00 . A A . 7 ASP OD1 1 1 46 6132 1 1 7 ASP OD2 O 4.406 -3.165 -5.272 1.00 . A A . 7 ASP OD2 1 1 46 6133 1 1 8 GLY C C 2.405 -2.102 1.790 1.00 . A A . 8 GLY C 1 1 46 6134 1 1 8 GLY CA C 2.836 -1.547 0.444 1.00 . A A . 8 GLY CA 1 1 46 6135 1 1 8 GLY H H 2.054 -3.264 -0.522 1.00 . A A . 8 GLY H 1 1 46 6136 1 1 8 GLY HA2 H 3.913 -1.513 0.406 1.00 . A A . 8 GLY HA2 1 1 46 6137 1 1 8 GLY HA3 H 2.453 -0.543 0.344 1.00 . A A . 8 GLY HA3 1 1 46 6138 1 1 8 GLY N N 2.354 -2.344 -0.670 1.00 . A A . 8 GLY N 1 1 46 6139 1 1 8 GLY O O 1.233 -2.003 2.154 1.00 . A A . 8 GLY O 1 1 46 6140 1 1 9 PRO C C 2.924 -2.183 4.958 1.00 . A A . 9 PRO C 1 1 46 6141 1 1 9 PRO CA C 3.026 -3.256 3.878 1.00 . A A . 9 PRO CA 1 1 46 6142 1 1 9 PRO CB C 4.217 -4.173 4.145 1.00 . A A . 9 PRO CB 1 1 46 6143 1 1 9 PRO CD C 4.762 -2.858 2.215 1.00 . A A . 9 PRO CD 1 1 46 6144 1 1 9 PRO CG C 5.353 -3.525 3.431 1.00 . A A . 9 PRO CG 1 1 46 6145 1 1 9 PRO HA H 2.116 -3.837 3.858 1.00 . A A . 9 PRO HA 1 1 46 6146 1 1 9 PRO HB2 H 4.399 -4.232 5.209 1.00 . A A . 9 PRO HB2 1 1 46 6147 1 1 9 PRO HB3 H 4.014 -5.158 3.752 1.00 . A A . 9 PRO HB3 1 1 46 6148 1 1 9 PRO HD2 H 5.229 -1.899 2.048 1.00 . A A . 9 PRO HD2 1 1 46 6149 1 1 9 PRO HD3 H 4.875 -3.489 1.346 1.00 . A A . 9 PRO HD3 1 1 46 6150 1 1 9 PRO HG2 H 5.818 -2.791 4.072 1.00 . A A . 9 PRO HG2 1 1 46 6151 1 1 9 PRO HG3 H 6.073 -4.273 3.133 1.00 . A A . 9 PRO HG3 1 1 46 6152 1 1 9 PRO N N 3.336 -2.693 2.562 1.00 . A A . 9 PRO N 1 1 46 6153 1 1 9 PRO O O 3.621 -2.239 5.972 1.00 . A A . 9 PRO O 1 1 46 6154 1 1 10 CYS C C 0.924 -0.543 6.815 1.00 . A A . 10 CYS C 1 1 46 6155 1 1 10 CYS CA C 1.861 -0.118 5.688 1.00 . A A . 10 CYS CA 1 1 46 6156 1 1 10 CYS CB C 1.301 1.118 4.977 1.00 . A A . 10 CYS CB 1 1 46 6157 1 1 10 CYS H H 1.526 -1.213 3.909 1.00 . A A . 10 CYS H 1 1 46 6158 1 1 10 CYS HA H 2.824 0.126 6.110 1.00 . A A . 10 CYS HA 1 1 46 6159 1 1 10 CYS HB2 H 1.021 0.848 3.970 1.00 . A A . 10 CYS HB2 1 1 46 6160 1 1 10 CYS HB3 H 0.426 1.465 5.507 1.00 . A A . 10 CYS HB3 1 1 46 6161 1 1 10 CYS N N 2.052 -1.204 4.734 1.00 . A A . 10 CYS N 1 1 46 6162 1 1 10 CYS O O 0.449 0.344 7.555 1.00 . A A . 10 CYS O 1 1 46 6163 1 1 10 CYS OXT O 0.672 -1.759 6.947 1.00 . A A . 10 CYS OXT 1 1 46 6164 1 1 10 CYS SG S 2.473 2.510 4.870 1.00 . A A . 10 CYS SG 1 1 47 6165 1 1 1 ALA C C 0.736 1.609 3.444 1.00 . A A . 1 ALA C 1 1 47 6166 1 1 1 ALA CA C 0.389 0.378 4.277 1.00 . A A . 1 ALA CA 1 1 47 6167 1 1 1 ALA CB C -0.626 0.736 5.353 1.00 . A A . 1 ALA CB 1 1 47 6168 1 1 1 ALA H1 H 2.380 -0.133 4.207 1.00 . A A . 1 ALA H1 1 1 47 6169 1 1 1 ALA H2 H 1.397 -1.204 5.120 1.00 . A A . 1 ALA H2 1 1 47 6170 1 1 1 ALA H3 H 1.816 0.332 5.758 1.00 . A A . 1 ALA H3 1 1 47 6171 1 1 1 ALA HA H -0.056 -0.364 3.632 1.00 . A A . 1 ALA HA 1 1 47 6172 1 1 1 ALA HB1 H -1.086 -0.166 5.729 1.00 . A A . 1 ALA HB1 1 1 47 6173 1 1 1 ALA HB2 H -1.385 1.379 4.932 1.00 . A A . 1 ALA HB2 1 1 47 6174 1 1 1 ALA HB3 H -0.128 1.250 6.162 1.00 . A A . 1 ALA HB3 1 1 47 6175 1 1 1 ALA N N 1.605 -0.210 4.896 1.00 . A A . 1 ALA N 1 1 47 6176 1 1 1 ALA O O 0.240 2.706 3.702 1.00 . A A . 1 ALA O 1 1 47 6177 1 1 2 CYS C C 1.283 2.481 0.244 1.00 . A A . 2 CYS C 1 1 47 6178 1 1 2 CYS CA C 2.012 2.512 1.584 1.00 . A A . 2 CYS CA 1 1 47 6179 1 1 2 CYS CB C 3.517 2.427 1.372 1.00 . A A . 2 CYS CB 1 1 47 6180 1 1 2 CYS H H 1.968 0.533 2.286 1.00 . A A . 2 CYS H 1 1 47 6181 1 1 2 CYS HA H 1.776 3.433 2.082 1.00 . A A . 2 CYS HA 1 1 47 6182 1 1 2 CYS HB2 H 3.893 1.582 1.928 1.00 . A A . 2 CYS HB2 1 1 47 6183 1 1 2 CYS HB3 H 3.713 2.273 0.329 1.00 . A A . 2 CYS HB3 1 1 47 6184 1 1 2 CYS N N 1.596 1.423 2.446 1.00 . A A . 2 CYS N 1 1 47 6185 1 1 2 CYS O O 1.657 3.182 -0.696 1.00 . A A . 2 CYS O 1 1 47 6186 1 1 2 CYS SG S 4.440 3.900 1.918 1.00 . A A . 2 CYS SG 1 1 47 6187 1 1 3 LEU C C -1.979 1.077 -0.738 1.00 . A A . 3 LEU C 1 1 47 6188 1 1 3 LEU CA C -0.558 1.554 -1.052 1.00 . A A . 3 LEU CA 1 1 47 6189 1 1 3 LEU CB C 0.106 0.594 -2.054 1.00 . A A . 3 LEU CB 1 1 47 6190 1 1 3 LEU CD1 C 1.667 -1.359 -2.243 1.00 . A A . 3 LEU CD1 1 1 47 6191 1 1 3 LEU CD2 C 2.593 0.956 -2.039 1.00 . A A . 3 LEU CD2 1 1 47 6192 1 1 3 LEU CG C 1.463 0.019 -1.632 1.00 . A A . 3 LEU CG 1 1 47 6193 1 1 3 LEU H H -0.009 1.150 0.959 1.00 . A A . 3 LEU H 1 1 47 6194 1 1 3 LEU HA H -0.613 2.535 -1.498 1.00 . A A . 3 LEU HA 1 1 47 6195 1 1 3 LEU HB2 H -0.569 -0.231 -2.231 1.00 . A A . 3 LEU HB2 1 1 47 6196 1 1 3 LEU HB3 H 0.243 1.125 -2.985 1.00 . A A . 3 LEU HB3 1 1 47 6197 1 1 3 LEU HD11 H 0.707 -1.805 -2.452 1.00 . A A . 3 LEU HD11 1 1 47 6198 1 1 3 LEU HD12 H 2.211 -1.984 -1.550 1.00 . A A . 3 LEU HD12 1 1 47 6199 1 1 3 LEU HD13 H 2.229 -1.266 -3.161 1.00 . A A . 3 LEU HD13 1 1 47 6200 1 1 3 LEU HD21 H 3.184 0.493 -2.815 1.00 . A A . 3 LEU HD21 1 1 47 6201 1 1 3 LEU HD22 H 3.219 1.156 -1.182 1.00 . A A . 3 LEU HD22 1 1 47 6202 1 1 3 LEU HD23 H 2.179 1.883 -2.406 1.00 . A A . 3 LEU HD23 1 1 47 6203 1 1 3 LEU HG H 1.485 -0.088 -0.557 1.00 . A A . 3 LEU HG 1 1 47 6204 1 1 3 LEU N N 0.237 1.673 0.170 1.00 . A A . 3 LEU N 1 1 47 6205 1 1 3 LEU O O -2.166 0.061 -0.071 1.00 . A A . 3 LEU O 1 1 47 6206 1 1 4 PRO C C -4.734 0.024 -1.435 1.00 . A A . 4 PRO C 1 1 47 6207 1 1 4 PRO CA C -4.410 1.443 -0.977 1.00 . A A . 4 PRO CA 1 1 47 6208 1 1 4 PRO CB C -5.195 2.462 -1.807 1.00 . A A . 4 PRO CB 1 1 47 6209 1 1 4 PRO CD C -2.886 3.032 -2.025 1.00 . A A . 4 PRO CD 1 1 47 6210 1 1 4 PRO CG C -4.269 3.617 -1.971 1.00 . A A . 4 PRO CG 1 1 47 6211 1 1 4 PRO HA H -4.671 1.549 0.066 1.00 . A A . 4 PRO HA 1 1 47 6212 1 1 4 PRO HB2 H -5.458 2.027 -2.761 1.00 . A A . 4 PRO HB2 1 1 47 6213 1 1 4 PRO HB3 H -6.091 2.749 -1.277 1.00 . A A . 4 PRO HB3 1 1 47 6214 1 1 4 PRO HD2 H -2.614 2.797 -3.044 1.00 . A A . 4 PRO HD2 1 1 47 6215 1 1 4 PRO HD3 H -2.172 3.713 -1.588 1.00 . A A . 4 PRO HD3 1 1 47 6216 1 1 4 PRO HG2 H -4.491 4.138 -2.891 1.00 . A A . 4 PRO HG2 1 1 47 6217 1 1 4 PRO HG3 H -4.360 4.285 -1.128 1.00 . A A . 4 PRO HG3 1 1 47 6218 1 1 4 PRO N N -3.007 1.805 -1.217 1.00 . A A . 4 PRO N 1 1 47 6219 1 1 4 PRO O O -5.086 -0.835 -0.627 1.00 . A A . 4 PRO O 1 1 47 6220 1 1 5 TRP C C -4.098 -2.623 -2.607 1.00 . A A . 5 TRP C 1 1 47 6221 1 1 5 TRP CA C -4.900 -1.529 -3.309 1.00 . A A . 5 TRP CA 1 1 47 6222 1 1 5 TRP CB C -4.594 -1.541 -4.810 1.00 . A A . 5 TRP CB 1 1 47 6223 1 1 5 TRP CD1 C -2.097 -0.974 -4.692 1.00 . A A . 5 TRP CD1 1 1 47 6224 1 1 5 TRP CD2 C -3.262 0.299 -6.119 1.00 . A A . 5 TRP CD2 1 1 47 6225 1 1 5 TRP CE2 C -1.915 0.708 -6.150 1.00 . A A . 5 TRP CE2 1 1 47 6226 1 1 5 TRP CE3 C -4.185 0.958 -6.936 1.00 . A A . 5 TRP CE3 1 1 47 6227 1 1 5 TRP CG C -3.356 -0.780 -5.181 1.00 . A A . 5 TRP CG 1 1 47 6228 1 1 5 TRP CH2 C -2.396 2.372 -7.756 1.00 . A A . 5 TRP CH2 1 1 47 6229 1 1 5 TRP CZ2 C -1.471 1.745 -6.967 1.00 . A A . 5 TRP CZ2 1 1 47 6230 1 1 5 TRP CZ3 C -3.742 1.988 -7.746 1.00 . A A . 5 TRP CZ3 1 1 47 6231 1 1 5 TRP H H -4.335 0.513 -3.333 1.00 . A A . 5 TRP H 1 1 47 6232 1 1 5 TRP HA H -5.951 -1.728 -3.167 1.00 . A A . 5 TRP HA 1 1 47 6233 1 1 5 TRP HB2 H -4.464 -2.562 -5.134 1.00 . A A . 5 TRP HB2 1 1 47 6234 1 1 5 TRP HB3 H -5.427 -1.104 -5.342 1.00 . A A . 5 TRP HB3 1 1 47 6235 1 1 5 TRP HD1 H -1.839 -1.721 -3.957 1.00 . A A . 5 TRP HD1 1 1 47 6236 1 1 5 TRP HE1 H -0.263 -0.027 -5.086 1.00 . A A . 5 TRP HE1 1 1 47 6237 1 1 5 TRP HE3 H -5.227 0.676 -6.941 1.00 . A A . 5 TRP HE3 1 1 47 6238 1 1 5 TRP HH2 H -2.095 3.182 -8.404 1.00 . A A . 5 TRP HH2 1 1 47 6239 1 1 5 TRP HZ2 H -0.436 2.053 -6.987 1.00 . A A . 5 TRP HZ2 1 1 47 6240 1 1 5 TRP HZ3 H -4.441 2.509 -8.384 1.00 . A A . 5 TRP HZ3 1 1 47 6241 1 1 5 TRP N N -4.616 -0.214 -2.739 1.00 . A A . 5 TRP N 1 1 47 6242 1 1 5 TRP NE1 N -1.224 -0.085 -5.271 1.00 . A A . 5 TRP NE1 1 1 47 6243 1 1 5 TRP O O -4.483 -3.791 -2.620 1.00 . A A . 5 TRP O 1 1 47 6244 1 1 6 SER C C -1.314 -2.473 -0.218 1.00 . A A . 6 SER C 1 1 47 6245 1 1 6 SER CA C -2.137 -3.188 -1.281 1.00 . A A . 6 SER CA 1 1 47 6246 1 1 6 SER CB C -1.214 -3.914 -2.260 1.00 . A A . 6 SER CB 1 1 47 6247 1 1 6 SER H H -2.728 -1.292 -2.009 1.00 . A A . 6 SER H 1 1 47 6248 1 1 6 SER HA H -2.779 -3.911 -0.799 1.00 . A A . 6 SER HA 1 1 47 6249 1 1 6 SER HB2 H -0.666 -3.188 -2.842 1.00 . A A . 6 SER HB2 1 1 47 6250 1 1 6 SER HB3 H -0.520 -4.530 -1.708 1.00 . A A . 6 SER HB3 1 1 47 6251 1 1 6 SER HG H -1.600 -4.661 -4.030 1.00 . A A . 6 SER HG 1 1 47 6252 1 1 6 SER N N -2.985 -2.238 -1.990 1.00 . A A . 6 SER N 1 1 47 6253 1 1 6 SER O O -0.442 -1.666 -0.537 1.00 . A A . 6 SER O 1 1 47 6254 1 1 6 SER OG O -1.955 -4.740 -3.142 1.00 . A A . 6 SER OG 1 1 47 6255 1 1 7 ASP C C 0.597 -2.017 1.891 1.00 . A A . 7 ASP C 1 1 47 6256 1 1 7 ASP CA C -0.902 -2.139 2.167 1.00 . A A . 7 ASP CA 1 1 47 6257 1 1 7 ASP CB C -1.140 -2.922 3.465 1.00 . A A . 7 ASP CB 1 1 47 6258 1 1 7 ASP CG C -1.353 -4.408 3.233 1.00 . A A . 7 ASP CG 1 1 47 6259 1 1 7 ASP H H -2.322 -3.408 1.233 1.00 . A A . 7 ASP H 1 1 47 6260 1 1 7 ASP HA H -1.307 -1.145 2.286 1.00 . A A . 7 ASP HA 1 1 47 6261 1 1 7 ASP HB2 H -0.283 -2.801 4.111 1.00 . A A . 7 ASP HB2 1 1 47 6262 1 1 7 ASP HB3 H -2.015 -2.526 3.960 1.00 . A A . 7 ASP HB3 1 1 47 6263 1 1 7 ASP N N -1.607 -2.764 1.047 1.00 . A A . 7 ASP N 1 1 47 6264 1 1 7 ASP O O 1.072 -0.960 1.473 1.00 . A A . 7 ASP O 1 1 47 6265 1 1 7 ASP OD1 O -0.611 -4.993 2.416 1.00 . A A . 7 ASP OD1 1 1 47 6266 1 1 7 ASP OD2 O -2.261 -4.983 3.868 1.00 . A A . 7 ASP OD2 1 1 47 6267 1 1 8 GLY C C 3.498 -2.094 2.776 1.00 . A A . 8 GLY C 1 1 47 6268 1 1 8 GLY CA C 2.769 -3.089 1.888 1.00 . A A . 8 GLY CA 1 1 47 6269 1 1 8 GLY H H 0.903 -3.916 2.449 1.00 . A A . 8 GLY H 1 1 47 6270 1 1 8 GLY HA2 H 3.158 -4.078 2.075 1.00 . A A . 8 GLY HA2 1 1 47 6271 1 1 8 GLY HA3 H 2.951 -2.832 0.855 1.00 . A A . 8 GLY HA3 1 1 47 6272 1 1 8 GLY N N 1.335 -3.101 2.121 1.00 . A A . 8 GLY N 1 1 47 6273 1 1 8 GLY O O 3.073 -0.946 2.902 1.00 . A A . 8 GLY O 1 1 47 6274 1 1 9 PRO C C 6.203 -0.601 3.507 1.00 . A A . 9 PRO C 1 1 47 6275 1 1 9 PRO CA C 5.387 -1.625 4.289 1.00 . A A . 9 PRO CA 1 1 47 6276 1 1 9 PRO CB C 6.310 -2.593 5.029 1.00 . A A . 9 PRO CB 1 1 47 6277 1 1 9 PRO CD C 5.200 -3.856 3.324 1.00 . A A . 9 PRO CD 1 1 47 6278 1 1 9 PRO CG C 6.493 -3.730 4.086 1.00 . A A . 9 PRO CG 1 1 47 6279 1 1 9 PRO HA H 4.752 -1.113 4.998 1.00 . A A . 9 PRO HA 1 1 47 6280 1 1 9 PRO HB2 H 7.248 -2.104 5.248 1.00 . A A . 9 PRO HB2 1 1 47 6281 1 1 9 PRO HB3 H 5.840 -2.913 5.947 1.00 . A A . 9 PRO HB3 1 1 47 6282 1 1 9 PRO HD2 H 5.394 -4.125 2.296 1.00 . A A . 9 PRO HD2 1 1 47 6283 1 1 9 PRO HD3 H 4.557 -4.587 3.791 1.00 . A A . 9 PRO HD3 1 1 47 6284 1 1 9 PRO HG2 H 7.308 -3.517 3.409 1.00 . A A . 9 PRO HG2 1 1 47 6285 1 1 9 PRO HG3 H 6.691 -4.637 4.638 1.00 . A A . 9 PRO HG3 1 1 47 6286 1 1 9 PRO N N 4.611 -2.505 3.411 1.00 . A A . 9 PRO N 1 1 47 6287 1 1 9 PRO O O 6.886 -0.944 2.541 1.00 . A A . 9 PRO O 1 1 47 6288 1 1 10 CYS C C 8.360 1.465 3.299 1.00 . A A . 10 CYS C 1 1 47 6289 1 1 10 CYS CA C 6.859 1.730 3.268 1.00 . A A . 10 CYS CA 1 1 47 6290 1 1 10 CYS CB C 6.553 3.072 3.936 1.00 . A A . 10 CYS CB 1 1 47 6291 1 1 10 CYS H H 5.566 0.867 4.704 1.00 . A A . 10 CYS H 1 1 47 6292 1 1 10 CYS HA H 6.534 1.768 2.239 1.00 . A A . 10 CYS HA 1 1 47 6293 1 1 10 CYS HB2 H 6.850 3.024 4.973 1.00 . A A . 10 CYS HB2 1 1 47 6294 1 1 10 CYS HB3 H 7.118 3.849 3.441 1.00 . A A . 10 CYS HB3 1 1 47 6295 1 1 10 CYS N N 6.127 0.656 3.929 1.00 . A A . 10 CYS N 1 1 47 6296 1 1 10 CYS O O 8.883 1.148 4.388 1.00 . A A . 10 CYS O 1 1 47 6297 1 1 10 CYS OXT O 9.002 1.576 2.233 1.00 . A A . 10 CYS OXT 1 1 47 6298 1 1 10 CYS SG S 4.794 3.546 3.886 1.00 . A A . 10 CYS SG 1 1 48 6299 1 1 1 ALA C C 2.165 3.818 2.710 1.00 . A A . 1 ALA C 1 1 48 6300 1 1 1 ALA CA C 1.975 5.189 3.351 1.00 . A A . 1 ALA CA 1 1 48 6301 1 1 1 ALA CB C 2.803 6.233 2.617 1.00 . A A . 1 ALA CB 1 1 48 6302 1 1 1 ALA H1 H 1.919 5.996 5.242 1.00 . A A . 1 ALA H1 1 1 48 6303 1 1 1 ALA H2 H 3.380 5.182 4.854 1.00 . A A . 1 ALA H2 1 1 48 6304 1 1 1 ALA H3 H 1.959 4.283 5.198 1.00 . A A . 1 ALA H3 1 1 48 6305 1 1 1 ALA HA H 0.935 5.469 3.270 1.00 . A A . 1 ALA HA 1 1 48 6306 1 1 1 ALA HB1 H 2.649 7.200 3.073 1.00 . A A . 1 ALA HB1 1 1 48 6307 1 1 1 ALA HB2 H 2.500 6.271 1.582 1.00 . A A . 1 ALA HB2 1 1 48 6308 1 1 1 ALA HB3 H 3.849 5.970 2.677 1.00 . A A . 1 ALA HB3 1 1 48 6309 1 1 1 ALA N N 2.341 5.160 4.791 1.00 . A A . 1 ALA N 1 1 48 6310 1 1 1 ALA O O 3.145 3.582 2.003 1.00 . A A . 1 ALA O 1 1 48 6311 1 1 2 CYS C C 0.634 1.520 1.033 1.00 . A A . 2 CYS C 1 1 48 6312 1 1 2 CYS CA C 1.276 1.575 2.417 1.00 . A A . 2 CYS CA 1 1 48 6313 1 1 2 CYS CB C 0.567 0.618 3.370 1.00 . A A . 2 CYS CB 1 1 48 6314 1 1 2 CYS H H 0.463 3.158 3.531 1.00 . A A . 2 CYS H 1 1 48 6315 1 1 2 CYS HA H 2.313 1.288 2.335 1.00 . A A . 2 CYS HA 1 1 48 6316 1 1 2 CYS HB2 H 0.215 1.178 4.225 1.00 . A A . 2 CYS HB2 1 1 48 6317 1 1 2 CYS HB3 H -0.275 0.184 2.868 1.00 . A A . 2 CYS HB3 1 1 48 6318 1 1 2 CYS N N 1.221 2.917 2.962 1.00 . A A . 2 CYS N 1 1 48 6319 1 1 2 CYS O O 0.320 2.553 0.442 1.00 . A A . 2 CYS O 1 1 48 6320 1 1 2 CYS SG S 1.618 -0.731 3.998 1.00 . A A . 2 CYS SG 1 1 48 6321 1 1 3 LEU C C -1.589 0.665 -0.817 1.00 . A A . 3 LEU C 1 1 48 6322 1 1 3 LEU CA C -0.160 0.119 -0.792 1.00 . A A . 3 LEU CA 1 1 48 6323 1 1 3 LEU CB C -0.155 -1.365 -1.167 1.00 . A A . 3 LEU CB 1 1 48 6324 1 1 3 LEU CD1 C 0.865 -3.270 -2.437 1.00 . A A . 3 LEU CD1 1 1 48 6325 1 1 3 LEU CD2 C 0.952 -0.955 -3.377 1.00 . A A . 3 LEU CD2 1 1 48 6326 1 1 3 LEU CG C 0.975 -1.790 -2.106 1.00 . A A . 3 LEU CG 1 1 48 6327 1 1 3 LEU H H 0.715 -0.478 1.041 1.00 . A A . 3 LEU H 1 1 48 6328 1 1 3 LEU HA H 0.437 0.663 -1.507 1.00 . A A . 3 LEU HA 1 1 48 6329 1 1 3 LEU HB2 H -0.076 -1.943 -0.258 1.00 . A A . 3 LEU HB2 1 1 48 6330 1 1 3 LEU HB3 H -1.095 -1.600 -1.643 1.00 . A A . 3 LEU HB3 1 1 48 6331 1 1 3 LEU HD11 H 0.997 -3.851 -1.536 1.00 . A A . 3 LEU HD11 1 1 48 6332 1 1 3 LEU HD12 H 1.628 -3.537 -3.152 1.00 . A A . 3 LEU HD12 1 1 48 6333 1 1 3 LEU HD13 H -0.109 -3.474 -2.856 1.00 . A A . 3 LEU HD13 1 1 48 6334 1 1 3 LEU HD21 H -0.065 -0.859 -3.727 1.00 . A A . 3 LEU HD21 1 1 48 6335 1 1 3 LEU HD22 H 1.550 -1.438 -4.136 1.00 . A A . 3 LEU HD22 1 1 48 6336 1 1 3 LEU HD23 H 1.356 0.025 -3.171 1.00 . A A . 3 LEU HD23 1 1 48 6337 1 1 3 LEU HG H 1.923 -1.628 -1.615 1.00 . A A . 3 LEU HG 1 1 48 6338 1 1 3 LEU N N 0.444 0.308 0.522 1.00 . A A . 3 LEU N 1 1 48 6339 1 1 3 LEU O O -2.366 0.426 0.107 1.00 . A A . 3 LEU O 1 1 48 6340 1 1 4 PRO C C -4.399 0.935 -1.941 1.00 . A A . 4 PRO C 1 1 48 6341 1 1 4 PRO CA C -3.299 1.989 -2.008 1.00 . A A . 4 PRO CA 1 1 48 6342 1 1 4 PRO CB C -3.278 2.644 -3.393 1.00 . A A . 4 PRO CB 1 1 48 6343 1 1 4 PRO CD C -1.096 1.752 -3.025 1.00 . A A . 4 PRO CD 1 1 48 6344 1 1 4 PRO CG C -1.838 2.878 -3.685 1.00 . A A . 4 PRO CG 1 1 48 6345 1 1 4 PRO HA H -3.478 2.742 -1.255 1.00 . A A . 4 PRO HA 1 1 48 6346 1 1 4 PRO HB2 H -3.724 1.976 -4.116 1.00 . A A . 4 PRO HB2 1 1 48 6347 1 1 4 PRO HB3 H -3.830 3.571 -3.364 1.00 . A A . 4 PRO HB3 1 1 48 6348 1 1 4 PRO HD2 H -1.002 0.914 -3.701 1.00 . A A . 4 PRO HD2 1 1 48 6349 1 1 4 PRO HD3 H -0.123 2.084 -2.694 1.00 . A A . 4 PRO HD3 1 1 48 6350 1 1 4 PRO HG2 H -1.672 2.863 -4.753 1.00 . A A . 4 PRO HG2 1 1 48 6351 1 1 4 PRO HG3 H -1.528 3.826 -3.270 1.00 . A A . 4 PRO HG3 1 1 48 6352 1 1 4 PRO N N -1.955 1.410 -1.877 1.00 . A A . 4 PRO N 1 1 48 6353 1 1 4 PRO O O -5.447 1.157 -1.333 1.00 . A A . 4 PRO O 1 1 48 6354 1 1 5 TRP C C -4.678 -2.476 -1.739 1.00 . A A . 5 TRP C 1 1 48 6355 1 1 5 TRP CA C -5.138 -1.293 -2.591 1.00 . A A . 5 TRP CA 1 1 48 6356 1 1 5 TRP CB C -5.408 -1.759 -4.030 1.00 . A A . 5 TRP CB 1 1 48 6357 1 1 5 TRP CD1 C -4.840 -0.091 -5.894 1.00 . A A . 5 TRP CD1 1 1 48 6358 1 1 5 TRP CD2 C -3.161 -1.469 -5.352 1.00 . A A . 5 TRP CD2 1 1 48 6359 1 1 5 TRP CE2 C -2.723 -0.611 -6.379 1.00 . A A . 5 TRP CE2 1 1 48 6360 1 1 5 TRP CE3 C -2.273 -2.423 -4.848 1.00 . A A . 5 TRP CE3 1 1 48 6361 1 1 5 TRP CG C -4.518 -1.120 -5.057 1.00 . A A . 5 TRP CG 1 1 48 6362 1 1 5 TRP CH2 C -0.590 -1.623 -6.397 1.00 . A A . 5 TRP CH2 1 1 48 6363 1 1 5 TRP CZ2 C -1.438 -0.680 -6.910 1.00 . A A . 5 TRP CZ2 1 1 48 6364 1 1 5 TRP CZ3 C -0.997 -2.490 -5.375 1.00 . A A . 5 TRP CZ3 1 1 48 6365 1 1 5 TRP H H -3.308 -0.323 -3.046 1.00 . A A . 5 TRP H 1 1 48 6366 1 1 5 TRP HA H -6.057 -0.908 -2.175 1.00 . A A . 5 TRP HA 1 1 48 6367 1 1 5 TRP HB2 H -5.263 -2.827 -4.089 1.00 . A A . 5 TRP HB2 1 1 48 6368 1 1 5 TRP HB3 H -6.431 -1.528 -4.287 1.00 . A A . 5 TRP HB3 1 1 48 6369 1 1 5 TRP HD1 H -5.803 0.397 -5.915 1.00 . A A . 5 TRP HD1 1 1 48 6370 1 1 5 TRP HE1 H -3.750 0.924 -7.376 1.00 . A A . 5 TRP HE1 1 1 48 6371 1 1 5 TRP HE3 H -2.569 -3.099 -4.060 1.00 . A A . 5 TRP HE3 1 1 48 6372 1 1 5 TRP HH2 H 0.416 -1.712 -6.780 1.00 . A A . 5 TRP HH2 1 1 48 6373 1 1 5 TRP HZ2 H -1.108 -0.018 -7.698 1.00 . A A . 5 TRP HZ2 1 1 48 6374 1 1 5 TRP HZ3 H -0.298 -3.221 -4.998 1.00 . A A . 5 TRP HZ3 1 1 48 6375 1 1 5 TRP N N -4.159 -0.208 -2.575 1.00 . A A . 5 TRP N 1 1 48 6376 1 1 5 TRP NE1 N -3.766 0.221 -6.693 1.00 . A A . 5 TRP NE1 1 1 48 6377 1 1 5 TRP O O -5.354 -3.503 -1.677 1.00 . A A . 5 TRP O 1 1 48 6378 1 1 6 SER C C -2.117 -2.801 0.862 1.00 . A A . 6 SER C 1 1 48 6379 1 1 6 SER CA C -2.994 -3.391 -0.244 1.00 . A A . 6 SER CA 1 1 48 6380 1 1 6 SER CB C -2.200 -4.383 -1.100 1.00 . A A . 6 SER CB 1 1 48 6381 1 1 6 SER H H -3.026 -1.498 -1.165 1.00 . A A . 6 SER H 1 1 48 6382 1 1 6 SER HA H -3.825 -3.907 0.212 1.00 . A A . 6 SER HA 1 1 48 6383 1 1 6 SER HB2 H -1.194 -4.015 -1.235 1.00 . A A . 6 SER HB2 1 1 48 6384 1 1 6 SER HB3 H -2.170 -5.341 -0.603 1.00 . A A . 6 SER HB3 1 1 48 6385 1 1 6 SER HG H -2.884 -5.486 -2.568 1.00 . A A . 6 SER HG 1 1 48 6386 1 1 6 SER N N -3.528 -2.333 -1.083 1.00 . A A . 6 SER N 1 1 48 6387 1 1 6 SER O O -2.397 -1.716 1.371 1.00 . A A . 6 SER O 1 1 48 6388 1 1 6 SER OG O -2.798 -4.549 -2.374 1.00 . A A . 6 SER OG 1 1 48 6389 1 1 7 ASP C C 1.302 -3.156 1.803 1.00 . A A . 7 ASP C 1 1 48 6390 1 1 7 ASP CA C -0.148 -3.057 2.270 1.00 . A A . 7 ASP CA 1 1 48 6391 1 1 7 ASP CB C -0.346 -3.867 3.558 1.00 . A A . 7 ASP CB 1 1 48 6392 1 1 7 ASP CG C -0.844 -5.278 3.299 1.00 . A A . 7 ASP CG 1 1 48 6393 1 1 7 ASP H H -0.890 -4.368 0.785 1.00 . A A . 7 ASP H 1 1 48 6394 1 1 7 ASP HA H -0.375 -2.021 2.471 1.00 . A A . 7 ASP HA 1 1 48 6395 1 1 7 ASP HB2 H 0.596 -3.931 4.082 1.00 . A A . 7 ASP HB2 1 1 48 6396 1 1 7 ASP HB3 H -1.066 -3.361 4.185 1.00 . A A . 7 ASP HB3 1 1 48 6397 1 1 7 ASP N N -1.061 -3.515 1.227 1.00 . A A . 7 ASP N 1 1 48 6398 1 1 7 ASP O O 1.899 -2.161 1.392 1.00 . A A . 7 ASP O 1 1 48 6399 1 1 7 ASP OD1 O -0.500 -5.843 2.240 1.00 . A A . 7 ASP OD1 1 1 48 6400 1 1 7 ASP OD2 O -1.577 -5.815 4.155 1.00 . A A . 7 ASP OD2 1 1 48 6401 1 1 8 GLY C C 4.199 -3.560 2.065 1.00 . A A . 8 GLY C 1 1 48 6402 1 1 8 GLY CA C 3.240 -4.565 1.447 1.00 . A A . 8 GLY CA 1 1 48 6403 1 1 8 GLY H H 1.341 -5.117 2.203 1.00 . A A . 8 GLY H 1 1 48 6404 1 1 8 GLY HA2 H 3.546 -5.560 1.735 1.00 . A A . 8 GLY HA2 1 1 48 6405 1 1 8 GLY HA3 H 3.291 -4.484 0.372 1.00 . A A . 8 GLY HA3 1 1 48 6406 1 1 8 GLY N N 1.864 -4.360 1.868 1.00 . A A . 8 GLY N 1 1 48 6407 1 1 8 GLY O O 4.441 -3.597 3.272 1.00 . A A . 8 GLY O 1 1 48 6408 1 1 9 PRO C C 5.008 -0.534 2.554 1.00 . A A . 9 PRO C 1 1 48 6409 1 1 9 PRO CA C 5.706 -1.632 1.758 1.00 . A A . 9 PRO CA 1 1 48 6410 1 1 9 PRO CB C 6.315 -1.060 0.478 1.00 . A A . 9 PRO CB 1 1 48 6411 1 1 9 PRO CD C 4.543 -2.519 -0.193 1.00 . A A . 9 PRO CD 1 1 48 6412 1 1 9 PRO CG C 5.261 -1.247 -0.556 1.00 . A A . 9 PRO CG 1 1 48 6413 1 1 9 PRO HA H 6.482 -2.077 2.363 1.00 . A A . 9 PRO HA 1 1 48 6414 1 1 9 PRO HB2 H 6.549 -0.015 0.623 1.00 . A A . 9 PRO HB2 1 1 48 6415 1 1 9 PRO HB3 H 7.213 -1.605 0.228 1.00 . A A . 9 PRO HB3 1 1 48 6416 1 1 9 PRO HD2 H 3.489 -2.433 -0.414 1.00 . A A . 9 PRO HD2 1 1 48 6417 1 1 9 PRO HD3 H 4.972 -3.358 -0.721 1.00 . A A . 9 PRO HD3 1 1 48 6418 1 1 9 PRO HG2 H 4.576 -0.412 -0.537 1.00 . A A . 9 PRO HG2 1 1 48 6419 1 1 9 PRO HG3 H 5.715 -1.339 -1.531 1.00 . A A . 9 PRO HG3 1 1 48 6420 1 1 9 PRO N N 4.767 -2.643 1.261 1.00 . A A . 9 PRO N 1 1 48 6421 1 1 9 PRO O O 4.308 0.306 1.989 1.00 . A A . 9 PRO O 1 1 48 6422 1 1 10 CYS C C 5.638 1.442 5.245 1.00 . A A . 10 CYS C 1 1 48 6423 1 1 10 CYS CA C 4.595 0.448 4.743 1.00 . A A . 10 CYS CA 1 1 48 6424 1 1 10 CYS CB C 3.907 -0.237 5.927 1.00 . A A . 10 CYS CB 1 1 48 6425 1 1 10 CYS H H 5.773 -1.243 4.260 1.00 . A A . 10 CYS H 1 1 48 6426 1 1 10 CYS HA H 3.854 0.983 4.168 1.00 . A A . 10 CYS HA 1 1 48 6427 1 1 10 CYS HB2 H 4.181 -1.281 5.937 1.00 . A A . 10 CYS HB2 1 1 48 6428 1 1 10 CYS HB3 H 4.238 0.226 6.845 1.00 . A A . 10 CYS HB3 1 1 48 6429 1 1 10 CYS N N 5.205 -0.547 3.868 1.00 . A A . 10 CYS N 1 1 48 6430 1 1 10 CYS O O 5.397 2.069 6.298 1.00 . A A . 10 CYS O 1 1 48 6431 1 1 10 CYS OXT O 6.687 1.583 4.583 1.00 . A A . 10 CYS OXT 1 1 48 6432 1 1 10 CYS SG S 2.088 -0.144 5.883 1.00 . A A . 10 CYS SG 1 1 49 6433 1 1 1 ALA C C -0.206 2.115 2.655 1.00 . A A . 1 ALA C 1 1 49 6434 1 1 1 ALA CA C -1.266 1.540 3.584 1.00 . A A . 1 ALA CA 1 1 49 6435 1 1 1 ALA CB C -2.606 2.213 3.332 1.00 . A A . 1 ALA CB 1 1 49 6436 1 1 1 ALA H1 H -1.719 1.565 5.590 1.00 . A A . 1 ALA H1 1 1 49 6437 1 1 1 ALA H2 H -0.488 2.664 5.120 1.00 . A A . 1 ALA H2 1 1 49 6438 1 1 1 ALA H3 H -0.150 0.984 5.220 1.00 . A A . 1 ALA H3 1 1 49 6439 1 1 1 ALA HA H -1.376 0.485 3.379 1.00 . A A . 1 ALA HA 1 1 49 6440 1 1 1 ALA HB1 H -2.567 3.233 3.685 1.00 . A A . 1 ALA HB1 1 1 49 6441 1 1 1 ALA HB2 H -3.382 1.679 3.858 1.00 . A A . 1 ALA HB2 1 1 49 6442 1 1 1 ALA HB3 H -2.817 2.207 2.273 1.00 . A A . 1 ALA HB3 1 1 49 6443 1 1 1 ALA N N -0.870 1.703 5.007 1.00 . A A . 1 ALA N 1 1 49 6444 1 1 1 ALA O O -0.348 3.229 2.151 1.00 . A A . 1 ALA O 1 1 49 6445 1 1 2 CYS C C 1.707 1.375 0.121 1.00 . A A . 2 CYS C 1 1 49 6446 1 1 2 CYS CA C 1.940 1.788 1.570 1.00 . A A . 2 CYS CA 1 1 49 6447 1 1 2 CYS CB C 3.254 1.215 2.091 1.00 . A A . 2 CYS CB 1 1 49 6448 1 1 2 CYS H H 0.925 0.476 2.859 1.00 . A A . 2 CYS H 1 1 49 6449 1 1 2 CYS HA H 1.975 2.855 1.615 1.00 . A A . 2 CYS HA 1 1 49 6450 1 1 2 CYS HB2 H 3.050 0.640 2.982 1.00 . A A . 2 CYS HB2 1 1 49 6451 1 1 2 CYS HB3 H 3.671 0.565 1.345 1.00 . A A . 2 CYS HB3 1 1 49 6452 1 1 2 CYS N N 0.859 1.353 2.432 1.00 . A A . 2 CYS N 1 1 49 6453 1 1 2 CYS O O 2.541 1.620 -0.750 1.00 . A A . 2 CYS O 1 1 49 6454 1 1 2 CYS SG S 4.505 2.466 2.526 1.00 . A A . 2 CYS SG 1 1 49 6455 1 1 3 LEU C C -1.155 0.888 -1.874 1.00 . A A . 3 LEU C 1 1 49 6456 1 1 3 LEU CA C 0.194 0.307 -1.458 1.00 . A A . 3 LEU CA 1 1 49 6457 1 1 3 LEU CB C 0.130 -1.226 -1.504 1.00 . A A . 3 LEU CB 1 1 49 6458 1 1 3 LEU CD1 C 1.291 -2.759 -3.126 1.00 . A A . 3 LEU CD1 1 1 49 6459 1 1 3 LEU CD2 C 2.631 -1.025 -1.929 1.00 . A A . 3 LEU CD2 1 1 49 6460 1 1 3 LEU CG C 1.438 -1.969 -1.834 1.00 . A A . 3 LEU CG 1 1 49 6461 1 1 3 LEU H H -0.047 0.607 0.621 1.00 . A A . 3 LEU H 1 1 49 6462 1 1 3 LEU HA H 0.945 0.653 -2.147 1.00 . A A . 3 LEU HA 1 1 49 6463 1 1 3 LEU HB2 H -0.212 -1.571 -0.540 1.00 . A A . 3 LEU HB2 1 1 49 6464 1 1 3 LEU HB3 H -0.609 -1.504 -2.241 1.00 . A A . 3 LEU HB3 1 1 49 6465 1 1 3 LEU HD11 H 1.728 -2.200 -3.941 1.00 . A A . 3 LEU HD11 1 1 49 6466 1 1 3 LEU HD12 H 0.244 -2.928 -3.327 1.00 . A A . 3 LEU HD12 1 1 49 6467 1 1 3 LEU HD13 H 1.797 -3.707 -3.027 1.00 . A A . 3 LEU HD13 1 1 49 6468 1 1 3 LEU HD21 H 2.451 -0.289 -2.698 1.00 . A A . 3 LEU HD21 1 1 49 6469 1 1 3 LEU HD22 H 3.517 -1.591 -2.174 1.00 . A A . 3 LEU HD22 1 1 49 6470 1 1 3 LEU HD23 H 2.774 -0.531 -0.981 1.00 . A A . 3 LEU HD23 1 1 49 6471 1 1 3 LEU HG H 1.638 -2.674 -1.041 1.00 . A A . 3 LEU HG 1 1 49 6472 1 1 3 LEU N N 0.565 0.758 -0.121 1.00 . A A . 3 LEU N 1 1 49 6473 1 1 3 LEU O O -1.863 1.482 -1.060 1.00 . A A . 3 LEU O 1 1 49 6474 1 1 4 PRO C C -4.004 0.584 -3.008 1.00 . A A . 4 PRO C 1 1 49 6475 1 1 4 PRO CA C -2.800 1.226 -3.686 1.00 . A A . 4 PRO CA 1 1 49 6476 1 1 4 PRO CB C -2.759 0.833 -5.169 1.00 . A A . 4 PRO CB 1 1 49 6477 1 1 4 PRO CD C -0.746 0.025 -4.190 1.00 . A A . 4 PRO CD 1 1 49 6478 1 1 4 PRO CG C -1.322 0.572 -5.461 1.00 . A A . 4 PRO CG 1 1 49 6479 1 1 4 PRO HA H -2.868 2.300 -3.596 1.00 . A A . 4 PRO HA 1 1 49 6480 1 1 4 PRO HB2 H -3.359 -0.053 -5.324 1.00 . A A . 4 PRO HB2 1 1 49 6481 1 1 4 PRO HB3 H -3.143 1.643 -5.769 1.00 . A A . 4 PRO HB3 1 1 49 6482 1 1 4 PRO HD2 H -0.894 -1.044 -4.137 1.00 . A A . 4 PRO HD2 1 1 49 6483 1 1 4 PRO HD3 H 0.302 0.270 -4.111 1.00 . A A . 4 PRO HD3 1 1 49 6484 1 1 4 PRO HG2 H -1.233 -0.153 -6.257 1.00 . A A . 4 PRO HG2 1 1 49 6485 1 1 4 PRO HG3 H -0.827 1.493 -5.733 1.00 . A A . 4 PRO HG3 1 1 49 6486 1 1 4 PRO N N -1.529 0.720 -3.155 1.00 . A A . 4 PRO N 1 1 49 6487 1 1 4 PRO O O -5.068 1.194 -2.899 1.00 . A A . 4 PRO O 1 1 49 6488 1 1 5 TRP C C -4.613 -1.571 -0.411 1.00 . A A . 5 TRP C 1 1 49 6489 1 1 5 TRP CA C -4.907 -1.385 -1.898 1.00 . A A . 5 TRP CA 1 1 49 6490 1 1 5 TRP CB C -5.125 -2.748 -2.566 1.00 . A A . 5 TRP CB 1 1 49 6491 1 1 5 TRP CD1 C -2.739 -3.688 -2.552 1.00 . A A . 5 TRP CD1 1 1 49 6492 1 1 5 TRP CD2 C -3.679 -3.603 -4.582 1.00 . A A . 5 TRP CD2 1 1 49 6493 1 1 5 TRP CE2 C -2.383 -4.136 -4.710 1.00 . A A . 5 TRP CE2 1 1 49 6494 1 1 5 TRP CE3 C -4.462 -3.454 -5.730 1.00 . A A . 5 TRP CE3 1 1 49 6495 1 1 5 TRP CG C -3.889 -3.325 -3.192 1.00 . A A . 5 TRP CG 1 1 49 6496 1 1 5 TRP CH2 C -2.642 -4.364 -7.047 1.00 . A A . 5 TRP CH2 1 1 49 6497 1 1 5 TRP CZ2 C -1.853 -4.520 -5.940 1.00 . A A . 5 TRP CZ2 1 1 49 6498 1 1 5 TRP CZ3 C -3.936 -3.836 -6.950 1.00 . A A . 5 TRP CZ3 1 1 49 6499 1 1 5 TRP H H -2.961 -1.089 -2.680 1.00 . A A . 5 TRP H 1 1 49 6500 1 1 5 TRP HA H -5.809 -0.801 -1.999 1.00 . A A . 5 TRP HA 1 1 49 6501 1 1 5 TRP HB2 H -5.479 -3.450 -1.826 1.00 . A A . 5 TRP HB2 1 1 49 6502 1 1 5 TRP HB3 H -5.872 -2.644 -3.340 1.00 . A A . 5 TRP HB3 1 1 49 6503 1 1 5 TRP HD1 H -2.582 -3.598 -1.488 1.00 . A A . 5 TRP HD1 1 1 49 6504 1 1 5 TRP HE1 H -0.932 -4.506 -3.241 1.00 . A A . 5 TRP HE1 1 1 49 6505 1 1 5 TRP HE3 H -5.461 -3.048 -5.676 1.00 . A A . 5 TRP HE3 1 1 49 6506 1 1 5 TRP HH2 H -2.271 -4.648 -8.020 1.00 . A A . 5 TRP HH2 1 1 49 6507 1 1 5 TRP HZ2 H -0.858 -4.930 -6.031 1.00 . A A . 5 TRP HZ2 1 1 49 6508 1 1 5 TRP HZ3 H -4.527 -3.728 -7.848 1.00 . A A . 5 TRP HZ3 1 1 49 6509 1 1 5 TRP N N -3.831 -0.655 -2.559 1.00 . A A . 5 TRP N 1 1 49 6510 1 1 5 TRP NE1 N -1.830 -4.179 -3.457 1.00 . A A . 5 TRP NE1 1 1 49 6511 1 1 5 TRP O O -4.969 -2.591 0.179 1.00 . A A . 5 TRP O 1 1 49 6512 1 1 6 SER C C -2.749 -1.827 1.926 1.00 . A A . 6 SER C 1 1 49 6513 1 1 6 SER CA C -3.632 -0.625 1.608 1.00 . A A . 6 SER CA 1 1 49 6514 1 1 6 SER CB C -4.907 -0.679 2.454 1.00 . A A . 6 SER CB 1 1 49 6515 1 1 6 SER H H -3.713 0.213 -0.336 1.00 . A A . 6 SER H 1 1 49 6516 1 1 6 SER HA H -3.090 0.277 1.850 1.00 . A A . 6 SER HA 1 1 49 6517 1 1 6 SER HB2 H -5.684 -0.109 1.967 1.00 . A A . 6 SER HB2 1 1 49 6518 1 1 6 SER HB3 H -5.224 -1.706 2.557 1.00 . A A . 6 SER HB3 1 1 49 6519 1 1 6 SER HG H -4.178 -0.759 4.271 1.00 . A A . 6 SER HG 1 1 49 6520 1 1 6 SER N N -3.967 -0.576 0.188 1.00 . A A . 6 SER N 1 1 49 6521 1 1 6 SER O O -3.202 -2.802 2.525 1.00 . A A . 6 SER O 1 1 49 6522 1 1 6 SER OG O -4.686 -0.138 3.745 1.00 . A A . 6 SER OG 1 1 49 6523 1 1 7 ASP C C 0.888 -2.311 1.583 1.00 . A A . 7 ASP C 1 1 49 6524 1 1 7 ASP CA C -0.541 -2.823 1.761 1.00 . A A . 7 ASP CA 1 1 49 6525 1 1 7 ASP CB C -0.824 -3.988 0.808 1.00 . A A . 7 ASP CB 1 1 49 6526 1 1 7 ASP CG C -0.623 -5.337 1.470 1.00 . A A . 7 ASP CG 1 1 49 6527 1 1 7 ASP H H -1.177 -0.956 1.049 1.00 . A A . 7 ASP H 1 1 49 6528 1 1 7 ASP HA H -0.669 -3.159 2.779 1.00 . A A . 7 ASP HA 1 1 49 6529 1 1 7 ASP HB2 H -1.847 -3.926 0.467 1.00 . A A . 7 ASP HB2 1 1 49 6530 1 1 7 ASP HB3 H -0.161 -3.920 -0.041 1.00 . A A . 7 ASP HB3 1 1 49 6531 1 1 7 ASP N N -1.485 -1.752 1.521 1.00 . A A . 7 ASP N 1 1 49 6532 1 1 7 ASP O O 1.163 -1.130 1.792 1.00 . A A . 7 ASP O 1 1 49 6533 1 1 7 ASP OD1 O -1.085 -5.510 2.617 1.00 . A A . 7 ASP OD1 1 1 49 6534 1 1 7 ASP OD2 O -0.002 -6.220 0.841 1.00 . A A . 7 ASP OD2 1 1 49 6535 1 1 8 GLY C C 3.854 -2.380 2.266 1.00 . A A . 8 GLY C 1 1 49 6536 1 1 8 GLY CA C 3.171 -2.829 0.985 1.00 . A A . 8 GLY CA 1 1 49 6537 1 1 8 GLY H H 1.500 -4.119 1.035 1.00 . A A . 8 GLY H 1 1 49 6538 1 1 8 GLY HA2 H 3.702 -3.678 0.583 1.00 . A A . 8 GLY HA2 1 1 49 6539 1 1 8 GLY HA3 H 3.212 -2.022 0.269 1.00 . A A . 8 GLY HA3 1 1 49 6540 1 1 8 GLY N N 1.784 -3.202 1.191 1.00 . A A . 8 GLY N 1 1 49 6541 1 1 8 GLY O O 3.320 -1.542 2.991 1.00 . A A . 8 GLY O 1 1 49 6542 1 1 9 PRO C C 6.619 -1.290 3.584 1.00 . A A . 9 PRO C 1 1 49 6543 1 1 9 PRO CA C 5.792 -2.557 3.778 1.00 . A A . 9 PRO CA 1 1 49 6544 1 1 9 PRO CB C 6.702 -3.763 3.985 1.00 . A A . 9 PRO CB 1 1 49 6545 1 1 9 PRO CD C 5.769 -3.930 1.772 1.00 . A A . 9 PRO CD 1 1 49 6546 1 1 9 PRO CG C 6.987 -4.254 2.606 1.00 . A A . 9 PRO CG 1 1 49 6547 1 1 9 PRO HA H 5.140 -2.439 4.631 1.00 . A A . 9 PRO HA 1 1 49 6548 1 1 9 PRO HB2 H 7.604 -3.454 4.492 1.00 . A A . 9 PRO HB2 1 1 49 6549 1 1 9 PRO HB3 H 6.189 -4.510 4.571 1.00 . A A . 9 PRO HB3 1 1 49 6550 1 1 9 PRO HD2 H 6.065 -3.522 0.818 1.00 . A A . 9 PRO HD2 1 1 49 6551 1 1 9 PRO HD3 H 5.164 -4.814 1.633 1.00 . A A . 9 PRO HD3 1 1 49 6552 1 1 9 PRO HG2 H 7.854 -3.747 2.210 1.00 . A A . 9 PRO HG2 1 1 49 6553 1 1 9 PRO HG3 H 7.154 -5.320 2.625 1.00 . A A . 9 PRO HG3 1 1 49 6554 1 1 9 PRO N N 5.048 -2.921 2.574 1.00 . A A . 9 PRO N 1 1 49 6555 1 1 9 PRO O O 7.611 -1.292 2.855 1.00 . A A . 9 PRO O 1 1 49 6556 1 1 10 CYS C C 8.372 0.916 4.550 1.00 . A A . 10 CYS C 1 1 49 6557 1 1 10 CYS CA C 6.911 1.064 4.137 1.00 . A A . 10 CYS CA 1 1 49 6558 1 1 10 CYS CB C 6.230 2.123 5.007 1.00 . A A . 10 CYS CB 1 1 49 6559 1 1 10 CYS H H 5.408 -0.270 4.806 1.00 . A A . 10 CYS H 1 1 49 6560 1 1 10 CYS HA H 6.872 1.380 3.105 1.00 . A A . 10 CYS HA 1 1 49 6561 1 1 10 CYS HB2 H 6.242 1.795 6.035 1.00 . A A . 10 CYS HB2 1 1 49 6562 1 1 10 CYS HB3 H 6.778 3.051 4.926 1.00 . A A . 10 CYS HB3 1 1 49 6563 1 1 10 CYS N N 6.206 -0.210 4.240 1.00 . A A . 10 CYS N 1 1 49 6564 1 1 10 CYS O O 8.692 -0.069 5.249 1.00 . A A . 10 CYS O 1 1 49 6565 1 1 10 CYS OXT O 9.185 1.785 4.170 1.00 . A A . 10 CYS OXT 1 1 49 6566 1 1 10 CYS SG S 4.496 2.462 4.557 1.00 . A A . 10 CYS SG 1 1 50 6567 1 1 1 ALA C C 1.333 4.538 2.440 1.00 . A A . 1 ALA C 1 1 50 6568 1 1 1 ALA CA C 0.836 5.794 3.146 1.00 . A A . 1 ALA CA 1 1 50 6569 1 1 1 ALA CB C 0.330 6.806 2.128 1.00 . A A . 1 ALA CB 1 1 50 6570 1 1 1 ALA H1 H 1.449 6.966 4.722 1.00 . A A . 1 ALA H1 1 1 50 6571 1 1 1 ALA H2 H 2.496 6.990 3.362 1.00 . A A . 1 ALA H2 1 1 50 6572 1 1 1 ALA H3 H 2.460 5.620 4.397 1.00 . A A . 1 ALA H3 1 1 50 6573 1 1 1 ALA HA H 0.011 5.528 3.791 1.00 . A A . 1 ALA HA 1 1 50 6574 1 1 1 ALA HB1 H -0.512 7.341 2.540 1.00 . A A . 1 ALA HB1 1 1 50 6575 1 1 1 ALA HB2 H 0.024 6.290 1.230 1.00 . A A . 1 ALA HB2 1 1 50 6576 1 1 1 ALA HB3 H 1.120 7.503 1.892 1.00 . A A . 1 ALA HB3 1 1 50 6577 1 1 1 ALA N N 1.907 6.397 3.982 1.00 . A A . 1 ALA N 1 1 50 6578 1 1 1 ALA O O 2.278 4.589 1.652 1.00 . A A . 1 ALA O 1 1 50 6579 1 1 2 CYS C C 0.332 1.936 0.800 1.00 . A A . 2 CYS C 1 1 50 6580 1 1 2 CYS CA C 1.058 2.144 2.128 1.00 . A A . 2 CYS CA 1 1 50 6581 1 1 2 CYS CB C 0.726 1.017 3.102 1.00 . A A . 2 CYS CB 1 1 50 6582 1 1 2 CYS H H -0.054 3.428 3.361 1.00 . A A . 2 CYS H 1 1 50 6583 1 1 2 CYS HA H 2.122 2.153 1.949 1.00 . A A . 2 CYS HA 1 1 50 6584 1 1 2 CYS HB2 H 0.314 1.448 4.003 1.00 . A A . 2 CYS HB2 1 1 50 6585 1 1 2 CYS HB3 H -0.010 0.375 2.656 1.00 . A A . 2 CYS HB3 1 1 50 6586 1 1 2 CYS N N 0.691 3.411 2.727 1.00 . A A . 2 CYS N 1 1 50 6587 1 1 2 CYS O O -0.194 2.883 0.216 1.00 . A A . 2 CYS O 1 1 50 6588 1 1 2 CYS SG S 2.155 -0.002 3.588 1.00 . A A . 2 CYS SG 1 1 50 6589 1 1 3 LEU C C -1.809 0.835 -0.923 1.00 . A A . 3 LEU C 1 1 50 6590 1 1 3 LEU CA C -0.353 0.364 -0.931 1.00 . A A . 3 LEU CA 1 1 50 6591 1 1 3 LEU CB C -0.288 -1.145 -1.183 1.00 . A A . 3 LEU CB 1 1 50 6592 1 1 3 LEU CD1 C 1.350 -2.744 -2.211 1.00 . A A . 3 LEU CD1 1 1 50 6593 1 1 3 LEU CD2 C -0.566 -1.877 -3.566 1.00 . A A . 3 LEU CD2 1 1 50 6594 1 1 3 LEU CG C 0.437 -1.554 -2.467 1.00 . A A . 3 LEU CG 1 1 50 6595 1 1 3 LEU H H 0.746 -0.021 0.838 1.00 . A A . 3 LEU H 1 1 50 6596 1 1 3 LEU HA H 0.176 0.873 -1.721 1.00 . A A . 3 LEU HA 1 1 50 6597 1 1 3 LEU HB2 H 0.216 -1.605 -0.345 1.00 . A A . 3 LEU HB2 1 1 50 6598 1 1 3 LEU HB3 H -1.297 -1.528 -1.227 1.00 . A A . 3 LEU HB3 1 1 50 6599 1 1 3 LEU HD11 H 0.972 -3.315 -1.376 1.00 . A A . 3 LEU HD11 1 1 50 6600 1 1 3 LEU HD12 H 2.345 -2.391 -1.985 1.00 . A A . 3 LEU HD12 1 1 50 6601 1 1 3 LEU HD13 H 1.381 -3.370 -3.091 1.00 . A A . 3 LEU HD13 1 1 50 6602 1 1 3 LEU HD21 H -0.707 -2.946 -3.622 1.00 . A A . 3 LEU HD21 1 1 50 6603 1 1 3 LEU HD22 H -0.193 -1.513 -4.512 1.00 . A A . 3 LEU HD22 1 1 50 6604 1 1 3 LEU HD23 H -1.509 -1.401 -3.344 1.00 . A A . 3 LEU HD23 1 1 50 6605 1 1 3 LEU HG H 1.049 -0.731 -2.805 1.00 . A A . 3 LEU HG 1 1 50 6606 1 1 3 LEU N N 0.308 0.693 0.328 1.00 . A A . 3 LEU N 1 1 50 6607 1 1 3 LEU O O -2.546 0.577 0.029 1.00 . A A . 3 LEU O 1 1 50 6608 1 1 4 PRO C C -4.661 0.950 -1.877 1.00 . A A . 4 PRO C 1 1 50 6609 1 1 4 PRO CA C -3.620 2.039 -2.092 1.00 . A A . 4 PRO CA 1 1 50 6610 1 1 4 PRO CB C -3.697 2.561 -3.528 1.00 . A A . 4 PRO CB 1 1 50 6611 1 1 4 PRO CD C -1.440 1.888 -3.173 1.00 . A A . 4 PRO CD 1 1 50 6612 1 1 4 PRO CG C -2.293 2.903 -3.879 1.00 . A A . 4 PRO CG 1 1 50 6613 1 1 4 PRO HA H -3.798 2.850 -1.401 1.00 . A A . 4 PRO HA 1 1 50 6614 1 1 4 PRO HB2 H -4.089 1.787 -4.173 1.00 . A A . 4 PRO HB2 1 1 50 6615 1 1 4 PRO HB3 H -4.337 3.428 -3.566 1.00 . A A . 4 PRO HB3 1 1 50 6616 1 1 4 PRO HD2 H -1.283 1.025 -3.804 1.00 . A A . 4 PRO HD2 1 1 50 6617 1 1 4 PRO HD3 H -0.497 2.323 -2.883 1.00 . A A . 4 PRO HD3 1 1 50 6618 1 1 4 PRO HG2 H -2.153 2.835 -4.948 1.00 . A A . 4 PRO HG2 1 1 50 6619 1 1 4 PRO HG3 H -2.058 3.898 -3.530 1.00 . A A . 4 PRO HG3 1 1 50 6620 1 1 4 PRO N N -2.246 1.534 -1.988 1.00 . A A . 4 PRO N 1 1 50 6621 1 1 4 PRO O O -5.572 1.096 -1.063 1.00 . A A . 4 PRO O 1 1 50 6622 1 1 5 TRP C C -4.767 -2.510 -2.009 1.00 . A A . 5 TRP C 1 1 50 6623 1 1 5 TRP CA C -5.458 -1.254 -2.533 1.00 . A A . 5 TRP CA 1 1 50 6624 1 1 5 TRP CB C -6.085 -1.533 -3.904 1.00 . A A . 5 TRP CB 1 1 50 6625 1 1 5 TRP CD1 C -5.477 0.015 -5.859 1.00 . A A . 5 TRP CD1 1 1 50 6626 1 1 5 TRP CD2 C -4.031 -1.660 -5.529 1.00 . A A . 5 TRP CD2 1 1 50 6627 1 1 5 TRP CE2 C -3.588 -0.895 -6.624 1.00 . A A . 5 TRP CE2 1 1 50 6628 1 1 5 TRP CE3 C -3.280 -2.768 -5.132 1.00 . A A . 5 TRP CE3 1 1 50 6629 1 1 5 TRP CG C -5.244 -1.065 -5.057 1.00 . A A . 5 TRP CG 1 1 50 6630 1 1 5 TRP CH2 C -1.708 -2.295 -6.915 1.00 . A A . 5 TRP CH2 1 1 50 6631 1 1 5 TRP CZ2 C -2.425 -1.204 -7.325 1.00 . A A . 5 TRP CZ2 1 1 50 6632 1 1 5 TRP CZ3 C -2.126 -3.074 -5.828 1.00 . A A . 5 TRP CZ3 1 1 50 6633 1 1 5 TRP H H -3.781 -0.188 -3.261 1.00 . A A . 5 TRP H 1 1 50 6634 1 1 5 TRP HA H -6.239 -0.974 -1.843 1.00 . A A . 5 TRP HA 1 1 50 6635 1 1 5 TRP HB2 H -6.236 -2.596 -4.014 1.00 . A A . 5 TRP HB2 1 1 50 6636 1 1 5 TRP HB3 H -7.040 -1.031 -3.963 1.00 . A A . 5 TRP HB3 1 1 50 6637 1 1 5 TRP HD1 H -6.322 0.679 -5.755 1.00 . A A . 5 TRP HD1 1 1 50 6638 1 1 5 TRP HE1 H -4.434 0.813 -7.498 1.00 . A A . 5 TRP HE1 1 1 50 6639 1 1 5 TRP HE3 H -3.586 -3.377 -4.296 1.00 . A A . 5 TRP HE3 1 1 50 6640 1 1 5 TRP HH2 H -0.800 -2.572 -7.430 1.00 . A A . 5 TRP HH2 1 1 50 6641 1 1 5 TRP HZ2 H -2.090 -0.613 -8.165 1.00 . A A . 5 TRP HZ2 1 1 50 6642 1 1 5 TRP HZ3 H -1.532 -3.927 -5.536 1.00 . A A . 5 TRP HZ3 1 1 50 6643 1 1 5 TRP N N -4.524 -0.138 -2.625 1.00 . A A . 5 TRP N 1 1 50 6644 1 1 5 TRP NE1 N -4.487 0.122 -6.806 1.00 . A A . 5 TRP NE1 1 1 50 6645 1 1 5 TRP O O -5.196 -3.628 -2.293 1.00 . A A . 5 TRP O 1 1 50 6646 1 1 6 SER C C -2.233 -2.994 0.593 1.00 . A A . 6 SER C 1 1 50 6647 1 1 6 SER CA C -2.955 -3.434 -0.681 1.00 . A A . 6 SER CA 1 1 50 6648 1 1 6 SER CB C -1.963 -3.976 -1.716 1.00 . A A . 6 SER CB 1 1 50 6649 1 1 6 SER H H -3.399 -1.409 -1.047 1.00 . A A . 6 SER H 1 1 50 6650 1 1 6 SER HA H -3.661 -4.210 -0.428 1.00 . A A . 6 SER HA 1 1 50 6651 1 1 6 SER HB2 H -2.346 -3.791 -2.709 1.00 . A A . 6 SER HB2 1 1 50 6652 1 1 6 SER HB3 H -1.013 -3.476 -1.598 1.00 . A A . 6 SER HB3 1 1 50 6653 1 1 6 SER HG H -1.194 -5.696 -2.251 1.00 . A A . 6 SER HG 1 1 50 6654 1 1 6 SER N N -3.698 -2.320 -1.242 1.00 . A A . 6 SER N 1 1 50 6655 1 1 6 SER O O -2.735 -2.153 1.339 1.00 . A A . 6 SER O 1 1 50 6656 1 1 6 SER OG O -1.770 -5.370 -1.556 1.00 . A A . 6 SER OG 1 1 50 6657 1 1 7 ASP C C 1.211 -3.152 1.692 1.00 . A A . 7 ASP C 1 1 50 6658 1 1 7 ASP CA C -0.278 -3.219 2.022 1.00 . A A . 7 ASP CA 1 1 50 6659 1 1 7 ASP CB C -0.522 -4.233 3.146 1.00 . A A . 7 ASP CB 1 1 50 6660 1 1 7 ASP CG C -0.882 -5.614 2.629 1.00 . A A . 7 ASP CG 1 1 50 6661 1 1 7 ASP H H -0.711 -4.220 0.210 1.00 . A A . 7 ASP H 1 1 50 6662 1 1 7 ASP HA H -0.600 -2.244 2.356 1.00 . A A . 7 ASP HA 1 1 50 6663 1 1 7 ASP HB2 H 0.372 -4.318 3.744 1.00 . A A . 7 ASP HB2 1 1 50 6664 1 1 7 ASP HB3 H -1.332 -3.880 3.768 1.00 . A A . 7 ASP HB3 1 1 50 6665 1 1 7 ASP N N -1.059 -3.560 0.838 1.00 . A A . 7 ASP N 1 1 50 6666 1 1 7 ASP O O 1.776 -2.067 1.553 1.00 . A A . 7 ASP O 1 1 50 6667 1 1 7 ASP OD1 O -1.923 -5.742 1.951 1.00 . A A . 7 ASP OD1 1 1 50 6668 1 1 7 ASP OD2 O -0.122 -6.567 2.903 1.00 . A A . 7 ASP OD2 1 1 50 6669 1 1 8 GLY C C 4.113 -3.751 2.350 1.00 . A A . 8 GLY C 1 1 50 6670 1 1 8 GLY CA C 3.257 -4.360 1.254 1.00 . A A . 8 GLY CA 1 1 50 6671 1 1 8 GLY H H 1.342 -5.149 1.687 1.00 . A A . 8 GLY H 1 1 50 6672 1 1 8 GLY HA2 H 3.551 -5.390 1.113 1.00 . A A . 8 GLY HA2 1 1 50 6673 1 1 8 GLY HA3 H 3.429 -3.818 0.335 1.00 . A A . 8 GLY HA3 1 1 50 6674 1 1 8 GLY N N 1.841 -4.315 1.567 1.00 . A A . 8 GLY N 1 1 50 6675 1 1 8 GLY O O 3.607 -3.420 3.422 1.00 . A A . 8 GLY O 1 1 50 6676 1 1 9 PRO C C 6.086 -1.529 3.331 1.00 . A A . 9 PRO C 1 1 50 6677 1 1 9 PRO CA C 6.346 -3.013 3.094 1.00 . A A . 9 PRO CA 1 1 50 6678 1 1 9 PRO CB C 7.724 -3.220 2.461 1.00 . A A . 9 PRO CB 1 1 50 6679 1 1 9 PRO CD C 6.114 -3.958 0.857 1.00 . A A . 9 PRO CD 1 1 50 6680 1 1 9 PRO CG C 7.461 -3.306 0.997 1.00 . A A . 9 PRO CG 1 1 50 6681 1 1 9 PRO HA H 6.297 -3.540 4.035 1.00 . A A . 9 PRO HA 1 1 50 6682 1 1 9 PRO HB2 H 8.362 -2.382 2.700 1.00 . A A . 9 PRO HB2 1 1 50 6683 1 1 9 PRO HB3 H 8.163 -4.132 2.836 1.00 . A A . 9 PRO HB3 1 1 50 6684 1 1 9 PRO HD2 H 5.591 -3.563 -0.002 1.00 . A A . 9 PRO HD2 1 1 50 6685 1 1 9 PRO HD3 H 6.220 -5.030 0.776 1.00 . A A . 9 PRO HD3 1 1 50 6686 1 1 9 PRO HG2 H 7.445 -2.315 0.568 1.00 . A A . 9 PRO HG2 1 1 50 6687 1 1 9 PRO HG3 H 8.221 -3.909 0.522 1.00 . A A . 9 PRO HG3 1 1 50 6688 1 1 9 PRO N N 5.426 -3.590 2.108 1.00 . A A . 9 PRO N 1 1 50 6689 1 1 9 PRO O O 5.738 -0.793 2.407 1.00 . A A . 9 PRO O 1 1 50 6690 1 1 10 CYS C C 6.965 0.716 6.081 1.00 . A A . 10 CYS C 1 1 50 6691 1 1 10 CYS CA C 6.045 0.303 4.936 1.00 . A A . 10 CYS CA 1 1 50 6692 1 1 10 CYS CB C 4.583 0.531 5.330 1.00 . A A . 10 CYS CB 1 1 50 6693 1 1 10 CYS H H 6.538 -1.729 5.269 1.00 . A A . 10 CYS H 1 1 50 6694 1 1 10 CYS HA H 6.273 0.906 4.071 1.00 . A A . 10 CYS HA 1 1 50 6695 1 1 10 CYS HB2 H 4.121 -0.422 5.536 1.00 . A A . 10 CYS HB2 1 1 50 6696 1 1 10 CYS HB3 H 4.547 1.143 6.220 1.00 . A A . 10 CYS HB3 1 1 50 6697 1 1 10 CYS N N 6.259 -1.094 4.576 1.00 . A A . 10 CYS N 1 1 50 6698 1 1 10 CYS O O 6.980 0.010 7.111 1.00 . A A . 10 CYS O 1 1 50 6699 1 1 10 CYS OXT O 7.663 1.742 5.937 1.00 . A A . 10 CYS OXT 1 1 50 6700 1 1 10 CYS SG S 3.589 1.361 4.047 1.00 . A A . 10 CYS SG 1 1 stop_ save_
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