NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
627595 | 6cgx | 30412 | cing | 4-filtered-FRED | STAR | entry | full | 39 |
data_FRED_restraints_with_modified_coordinates_PDB_code_6cgx # This FRED archive file contains, for PDB entry <6cgx>: # # - Coordinates and sequence information from the PDB mmCIF file # - NMR restraints from the PDB MR file # # In this file, the coordinates and NMR restraints share the same atom names, # and in this way can differ from the data deposited at the wwPDB. To achieve # this aim, the NMR restraints were parsed from their original format files, and # the coordinates and NMR restraints information were subsequently harmonized. # # Due to the complexity of this harmonization process and the filtering process # used in creating these files, the NMR restraints information in these files # may differ significantly from that in the originally deposited file. Other # modifications could have occurred to the NMR restraints information, or data # could have been lost because of parsing or conversion errors. The PDB file # remains the authoritative reference for the atomic coordinates and the # originally deposited restraints files remain the primary reference for these # data. # # This file is generated at the BioMagResBank (BMRB) in collaboration with the # PDBe (formerly MSD) group at the European Bioinformatics Institute (EBI) and # the CMBI/IMM group at the Radboud University of Nijmegen. # # Several software packages were used to produce this file: # # - Wattos (BMRB and CMBI/IMM). # - FormatConverter and NMRStarExport (PDBe). # - CCPN framework (http://www.ccpn.ac.uk/). # # More information about this process can be found in the references below. # Please cite the original reference for this PDB entry. # # JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL # Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED # containing converted and filtered sets of experimental NMR restraints and # coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12. # # WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL # Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy: # development of a software pipeline. Proteins 59, 687-696. # # JF Doreleijers, WF Vranken, C Schulte, J Lin, JR Wedell, CJ Penkett, GW Vuister, # G Vriend, JL Markley, and EL Ulrich (2009). The NMR Restraints Grid at BMRB for # 5,266 Protein and Nucleic Acid PDB Entries. J Biomol. NMR 45, 389?396. save_Conversion_project_for_entry_Name_1 _Study_list.Sf_category study_list _Study_list.Entry_ID 1 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 "Conversion project for entry 1" NMR . 1 1 stop_ save_ save_originalConstraints_1 _Entry.PDB_coordinate_file_version . _Entry.Sf_category entry_information _Entry.ID 1 _Entry.Title "Data for entry 1" _Entry.NMR_STAR_version 3.1.0.8 _Entry.Experimental_method NMR _Entry.Details . save_ save_assembly_6cgx _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 6cgx _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "all disulfide bound" _Assembly.Molecular_mass 2039.11 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 $Alpha_conotoxin_Vc1A A . 1 1 stop_ save_ save_Alpha_conotoxin_Vc1A _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name "Alpha conotoxin Vc1A" _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code GCCSDPRCNYAHPAICGGAAGG _Entity.Number_of_monomers 22 loop_ _Entity_comp_index.ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 GLY . 1 1 2 CYS . 1 1 3 CYS . 1 1 4 SER . 1 1 5 ASP . 1 1 6 PRO . 1 1 7 ARG . 1 1 8 CYS . 1 1 9 ASN . 1 1 10 TYR . 1 1 11 ALA . 1 1 12 HIS . 1 1 13 PRO . 1 1 14 ALA . 1 1 15 ILE . 1 1 16 CYS . 1 1 17 GLY . 1 1 18 GLY . 1 1 19 ALA . 1 1 20 ALA . 1 1 21 GLY . 1 1 22 GLY . 1 1 stop_ loop_ _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID GLY 1 1 1 1 CYS 2 2 1 1 CYS 3 3 1 1 SER 4 4 1 1 ASP 5 5 1 1 PRO 6 6 1 1 ARG 7 7 1 1 CYS 8 8 1 1 ASN 9 9 1 1 TYR 10 10 1 1 ALA 11 11 1 1 HIS 12 12 1 1 PRO 13 13 1 1 ALA 14 14 1 1 ILE 15 15 1 1 CYS 16 16 1 1 GLY 17 17 1 1 GLY 18 18 1 1 ALA 19 19 1 1 ALA 20 20 1 1 GLY 21 21 1 1 GLY 22 22 1 1 stop_ save_ save_DYANA/DIANA_distance_constraints_2_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID . _Distance_constraint_list.Block_ID . loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . 1 1 2 1 . . . 1 1 3 1 . . . 1 1 4 1 . . . 1 1 5 1 . . . 1 1 6 1 . . . 1 1 7 1 . . . 1 1 8 1 . . . 1 1 9 1 . . . 1 1 10 1 . . . 1 1 11 1 . . . 1 1 12 1 . . . 1 1 13 1 . . . 1 1 14 1 . . . 1 1 15 1 . . . 1 1 16 1 . . . 1 1 17 1 . . . 1 1 18 1 . . . 1 1 19 1 . . . 1 1 20 1 . . . 1 1 21 1 . . . 1 1 22 1 . . . 1 1 23 1 . . . 1 1 24 1 . . . 1 1 25 1 . . . 1 1 26 1 . . . 1 1 27 1 . . . 1 1 28 1 . . . 1 1 29 1 . . . 1 1 30 1 . . . 1 1 31 1 . . . 1 1 32 1 . . . 1 1 33 1 . . . 1 1 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 5 ASP H . 5 ASP H 1 1 1 1 2 1 1 5 ASP HB3 . 5 ASP HB3 1 1 2 1 1 1 1 14 ALA H . 14 ALA H 1 1 2 1 2 1 1 14 ALA MB . 14 ALA QB 1 1 3 1 1 1 1 2 CYS H . 2 CYSS H 1 1 3 1 2 1 1 2 CYS HB3 . 2 CYSS HB3 1 1 4 1 1 1 1 10 TYR H . 10 TYR H 1 1 4 1 2 1 1 10 TYR HB3 . 10 TYR HB3 1 1 5 1 1 1 1 2 CYS HB3 . 2 CYSS HB3 1 1 5 1 2 1 1 3 CYS H . 3 CYSS H 1 1 6 1 1 1 1 15 ILE H . 15 ILE H 1 1 6 1 2 1 1 15 ILE MD . 15 ILE QD1 1 1 7 1 1 1 1 15 ILE H . 15 ILE H 1 1 7 1 2 1 1 15 ILE HB . 15 ILE HB 1 1 8 1 1 1 1 15 ILE H . 15 ILE H 1 1 8 1 2 1 1 15 ILE HG13 . 15 ILE HG13 1 1 9 1 1 1 1 8 CYS HA . 8 CYSS HA 1 1 9 1 2 1 1 12 HIS HD2 . 12 HIS HD2 1 1 10 1 1 1 1 10 TYR HA . 10 TYR HA 1 1 10 1 2 1 1 10 TYR QD . 10 TYR QD 1 1 11 1 1 1 1 9 ASN H . 9 ASN H 1 1 11 1 2 1 1 10 TYR H . 10 TYR H 1 1 12 1 1 1 1 8 CYS H . 8 CYSS H 1 1 12 1 2 1 1 9 ASN H . 9 ASN H 1 1 13 1 1 1 1 2 CYS H . 2 CYSS H 1 1 13 1 2 1 1 3 CYS H . 3 CYSS H 1 1 14 1 1 1 1 18 GLY H . 18 GLY H 1 1 14 1 2 1 1 19 ALA H . 19 ALA H 1 1 15 1 1 1 1 14 ALA H . 14 ALA H 1 1 15 1 2 1 1 15 ILE H . 15 ILE H 1 1 16 1 1 1 1 16 CYS H . 16 CYSS H 1 1 16 1 2 1 1 17 GLY H . 17 GLY H 1 1 17 1 1 1 1 3 CYS H . 3 CYSS H 1 1 17 1 2 1 1 4 SER H . 4 SER H 1 1 18 1 1 1 1 15 ILE H . 15 ILE H 1 1 18 1 2 1 1 16 CYS H . 16 CYSS H 1 1 19 1 1 1 1 11 ALA H . 11 ALA H 1 1 19 1 2 1 1 12 HIS H . 12 HIS H 1 1 20 1 1 1 1 10 TYR H . 10 TYR H 1 1 20 1 2 1 1 11 ALA H . 11 ALA H 1 1 21 1 1 1 1 5 ASP HA . 5 ASP HA 1 1 21 1 2 1 1 6 PRO HD3 . 6 PRO HD3 1 1 22 1 1 1 1 12 HIS H . 12 HIS H 1 1 22 1 2 1 1 13 PRO HD3 . 13 PRO HD3 1 1 23 1 1 1 1 16 CYS HB3 . 16 CYSS HB3 1 1 23 1 2 1 1 17 GLY H . 17 GLY H 1 1 24 1 1 1 1 12 HIS HA . 12 HIS HA 1 1 24 1 2 1 1 14 ALA H . 14 ALA H 1 1 25 1 1 1 1 8 CYS HA . 8 CYSS HA 1 1 25 1 2 1 1 11 ALA H . 11 ALA H 1 1 26 1 1 1 1 6 PRO HD3 . 6 PRO HD3 1 1 26 1 2 1 1 7 ARG H . 7 ARG H 1 1 27 1 1 1 1 1 GLY H1 . 1 GLY H 1 1 27 1 2 1 1 22 GLY H . 22 GLY H 1 1 28 1 1 1 1 1 GLY H1 . 1 GLY H 1 1 28 1 2 1 1 2 CYS H . 2 CYSS H 1 1 29 1 1 1 1 2 CYS HA . 2 CYSS HA 1 1 29 1 2 1 1 4 SER H . 4 SER H 1 1 30 1 1 1 1 5 ASP HA . 5 ASP HA 1 1 30 1 2 1 1 7 ARG H . 7 ARG H 1 1 31 1 1 1 1 7 ARG H . 7 ARG H 1 1 31 1 2 1 1 9 ASN H . 9 ASN H 1 1 32 1 1 1 1 7 ARG H . 7 ARG H 1 1 32 1 2 1 1 8 CYS H . 8 CYSS H 1 1 33 1 1 1 1 1 GLY H1 . 1 GLY H 1 1 33 1 2 1 1 22 GLY QA . 22 GLY QA 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 . . . . . . . 4.14 1 1 2 1 . . . . . . . 3.43 1 1 3 1 . . . . . . . 3.75 1 1 4 1 . . . . . . . 3.66 1 1 5 1 . . . . . . . 4.23 1 1 6 1 . . . . . . . 4.23 1 1 7 1 . . . . . . . 4.17 1 1 8 1 . . . . . . . 4.48 1 1 9 1 . . . . . . . 4.57 1 1 10 1 . . . . . . . 4.0 1 1 11 1 . . . . . . . 4.3 1 1 12 1 . . . . . . . 3.83 1 1 13 1 . . . . . . . 3.93 1 1 14 1 . . . . . . . 4.46 1 1 15 1 . . . . . . . 3.89 1 1 16 1 . . . . . . . 4.24 1 1 17 1 . . . . . . . 3.91 1 1 18 1 . . . . . . . 3.95 1 1 19 1 . . . . . . . 4.03 1 1 20 1 . . . . . . . 4.12 1 1 21 1 . . . . . . . 3.77 1 1 22 1 . . . . . . . 5.06 1 1 23 1 . . . . . . . 5.03 1 1 24 1 . . . . . . . 5.08 1 1 25 1 . . . . . . . 5.22 1 1 26 1 . . . . . . . 4.78 1 1 27 1 . . . . . . . 5.15 1 1 28 1 . . . . . . . 5.08 1 1 29 1 . . . . . . . 5.49 1 1 30 1 . . . . . . . 5.5 1 1 31 1 . . . . . . . 5.23 1 1 32 1 . . . . . . . 3.86 1 1 33 1 . . . . . . . 3.79 1 1 stop_ save_ save_DYANA/DIANA_distance_constraints_4_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 2 _Distance_constraint_list.Constraint_type "general distance" _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 5 1 . . . 1 2 6 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 2 CYS SG . 2 CYSS SG 1 2 1 1 2 1 1 8 CYS SG . 8 CYSS SG 1 2 2 1 1 1 1 2 CYS SG . 2 CYSS SG 1 2 2 1 2 1 1 8 CYS CB . 8 CYSS CB 1 2 3 1 1 1 1 2 CYS CB . 2 CYSS CB 1 2 3 1 2 1 1 8 CYS SG . 8 CYSS SG 1 2 4 1 1 1 1 3 CYS SG . 3 CYSS SG 1 2 4 1 2 1 1 16 CYS SG . 16 CYSS SG 1 2 5 1 1 1 1 3 CYS SG . 3 CYSS SG 1 2 5 1 2 1 1 16 CYS CB . 16 CYSS CB 1 2 6 1 1 1 1 3 CYS CB . 3 CYSS CB 1 2 6 1 2 1 1 16 CYS SG . 16 CYSS SG 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 . . . . . . . 1.98 1 2 2 1 . . . . . . . 2.9 1 2 3 1 . . . . . . . 2.9 1 2 4 1 . . . . . . . 1.98 1 2 5 1 . . . . . . . 2.9 1 2 6 1 . . . . . . . 2.9 1 2 stop_ save_ save_conformer_family_coord_set_1 _Conformer_family_coord_set.Sf_category conformer_family_coord_set _Conformer_family_coord_set.Entry_ID 1 _Conformer_family_coord_set.ID 1 loop_ _Atom_site.Model_ID _Atom_site.ID _Atom_site.Label_entity_assembly_ID _Atom_site.Label_entity_ID _Atom_site.Label_comp_index_ID _Atom_site.Label_comp_ID _Atom_site.Label_atom_ID _Atom_site.Type_symbol _Atom_site.Cartn_x _Atom_site.Cartn_y _Atom_site.Cartn_z _Atom_site.Occupancy _Atom_site.Uncertainty _Atom_site.PDBX_label_asym_ID _Atom_site.PDB_strand_ID _Atom_site.PDB_ins_code _Atom_site.PDB_residue_no _Atom_site.PDB_residue_name _Atom_site.PDB_atom_name _Atom_site.Entry_ID _Atom_site.Conformer_family_coord_set_ID 1 1 1 1 1 GLY C C -6.010 0.678 -1.702 1.00 . A A . 1 GLY C 1 1 1 2 1 1 1 GLY CA C -6.912 1.862 -1.996 1.00 . A A . 1 GLY CA 1 1 1 3 1 1 1 GLY H1 H -6.558 1.879 -3.925 1.00 . A A . 1 GLY H1 1 1 1 4 1 1 1 GLY HA2 H -6.880 2.548 -1.149 1.00 . A A . 1 GLY HA2 1 1 1 5 1 1 1 GLY HA3 H -7.933 1.501 -2.120 1.00 . A A . 1 GLY HA3 1 1 1 6 1 1 1 GLY N N -6.518 2.576 -3.195 1.00 . A A . 1 GLY N 1 1 1 7 1 1 1 GLY O O -6.487 -0.430 -1.461 1.00 . A A . 1 GLY O 1 1 1 8 1 1 2 CYS C C -3.710 -0.503 0.021 1.00 . A A . 2 CYS C 1 1 1 9 1 1 2 CYS CA C -3.730 -0.140 -1.462 1.00 . A A . 2 CYS CA 1 1 1 10 1 1 2 CYS CB C -2.335 0.301 -1.909 1.00 . A A . 2 CYS CB 1 1 1 11 1 1 2 CYS H H -4.370 1.856 -1.931 1.00 . A A . 2 CYS H 1 1 1 12 1 1 2 CYS HA H -4.026 -1.020 -2.034 1.00 . A A . 2 CYS HA 1 1 1 13 1 1 2 CYS HB3 H -1.593 -0.133 -1.239 1.00 . A A . 2 CYS HB3 1 1 1 14 1 1 2 CYS N N -4.702 0.914 -1.724 1.00 . A A . 2 CYS N 1 1 1 15 1 1 2 CYS O O -3.688 -1.681 0.382 1.00 . A A . 2 CYS O 1 1 1 16 1 1 2 CYS SG S -1.908 -0.197 -3.608 1.00 . A A . 2 CYS SG 1 1 1 17 1 1 3 CYS C C -4.911 -0.510 2.762 1.00 . A A . 3 CYS C 1 1 1 18 1 1 3 CYS CA C -3.701 0.305 2.316 1.00 . A A . 3 CYS CA 1 1 1 19 1 1 3 CYS CB C -3.679 1.648 3.049 1.00 . A A . 3 CYS CB 1 1 1 20 1 1 3 CYS H H -3.737 1.468 0.511 1.00 . A A . 3 CYS H 1 1 1 21 1 1 3 CYS HA H -2.794 -0.248 2.563 1.00 . A A . 3 CYS HA 1 1 1 22 1 1 3 CYS HB3 H -4.198 1.542 4.001 1.00 . A A . 3 CYS HB3 1 1 1 23 1 1 3 CYS N N -3.719 0.515 0.874 1.00 . A A . 3 CYS N 1 1 1 24 1 1 3 CYS O O -4.827 -1.303 3.701 1.00 . A A . 3 CYS O 1 1 1 25 1 1 3 CYS SG S -2.006 2.280 3.394 1.00 . A A . 3 CYS SG 1 1 1 26 1 1 4 SER C C -7.190 -2.476 1.942 1.00 . A A . 4 SER C 1 1 1 27 1 1 4 SER CA C -7.264 -1.025 2.409 1.00 . A A . 4 SER CA 1 1 1 28 1 1 4 SER CB C -8.467 -0.332 1.768 1.00 . A A . 4 SER CB 1 1 1 29 1 1 4 SER H H -6.039 0.360 1.314 1.00 . A A . 4 SER H 1 1 1 30 1 1 4 SER HA H -7.381 -1.009 3.493 1.00 . A A . 4 SER HA 1 1 1 31 1 1 4 SER HB3 H -8.740 -0.856 0.851 1.00 . A A . 4 SER HB3 1 1 1 32 1 1 4 SER HG H -10.338 0.118 2.210 1.00 . A A . 4 SER HG 1 1 1 33 1 1 4 SER N N -6.035 -0.312 2.082 1.00 . A A . 4 SER N 1 1 1 34 1 1 4 SER O O -7.736 -3.374 2.583 1.00 . A A . 4 SER O 1 1 1 35 1 1 4 SER OG O -9.583 -0.332 2.643 1.00 . A A . 4 SER OG 1 1 1 36 1 1 5 ASP C C -5.154 -4.744 0.872 1.00 . A A . 5 ASP C 1 1 1 37 1 1 5 ASP CA C -6.364 -4.038 0.269 1.00 . A A . 5 ASP CA 1 1 1 38 1 1 5 ASP CB C -6.227 -3.972 -1.252 1.00 . A A . 5 ASP CB 1 1 1 39 1 1 5 ASP CG C -6.794 -5.199 -1.938 1.00 . A A . 5 ASP CG 1 1 1 40 1 1 5 ASP H H -6.082 -1.909 0.337 1.00 . A A . 5 ASP H 1 1 1 41 1 1 5 ASP HA H -7.262 -4.603 0.520 1.00 . A A . 5 ASP HA 1 1 1 42 1 1 5 ASP HB3 H -5.171 -3.889 -1.512 1.00 . A A . 5 ASP HB3 1 1 1 43 1 1 5 ASP N N -6.511 -2.697 0.823 1.00 . A A . 5 ASP N 1 1 1 44 1 1 5 ASP O O -4.090 -4.155 1.061 1.00 . A A . 5 ASP O 1 1 1 45 1 1 5 ASP OD1 O -8.023 -5.406 -1.863 1.00 . A A . 5 ASP OD1 1 1 1 46 1 1 5 ASP OD2 O -6.008 -5.954 -2.550 1.00 . A A . 5 ASP OD2 1 1 1 47 1 1 6 PRO C C -3.124 -7.133 0.780 1.00 . A A . 6 PRO C 1 1 1 48 1 1 6 PRO CA C -4.251 -6.855 1.769 1.00 . A A . 6 PRO CA 1 1 1 49 1 1 6 PRO CB C -4.964 -8.155 2.147 1.00 . A A . 6 PRO CB 1 1 1 50 1 1 6 PRO CD C -6.559 -6.807 0.984 1.00 . A A . 6 PRO CD 1 1 1 51 1 1 6 PRO CG C -6.132 -8.228 1.224 1.00 . A A . 6 PRO CG 1 1 1 52 1 1 6 PRO HA H -3.839 -6.390 2.665 1.00 . A A . 6 PRO HA 1 1 1 53 1 1 6 PRO HB3 H -5.282 -8.109 3.188 1.00 . A A . 6 PRO HB3 1 1 1 54 1 1 6 PRO HD3 H -7.320 -6.510 1.706 1.00 . A A . 6 PRO HD3 1 1 1 55 1 1 6 PRO HG3 H -6.939 -8.791 1.693 1.00 . A A . 6 PRO HG3 1 1 1 56 1 1 6 PRO N N -5.318 -6.039 1.183 1.00 . A A . 6 PRO N 1 1 1 57 1 1 6 PRO O O -1.979 -7.351 1.174 1.00 . A A . 6 PRO O 1 1 1 58 1 1 7 ARG C C -1.328 -6.370 -1.476 1.00 . A A . 7 ARG C 1 1 1 59 1 1 7 ARG CA C -2.473 -7.376 -1.553 1.00 . A A . 7 ARG CA 1 1 1 60 1 1 7 ARG CB C -3.133 -7.309 -2.932 1.00 . A A . 7 ARG CB 1 1 1 61 1 1 7 ARG CD C -1.265 -8.584 -4.027 1.00 . A A . 7 ARG CD 1 1 1 62 1 1 7 ARG CG C -2.142 -7.343 -4.084 1.00 . A A . 7 ARG CG 1 1 1 63 1 1 7 ARG CZ C -2.770 -10.393 -4.741 1.00 . A A . 7 ARG CZ 1 1 1 64 1 1 7 ARG H H -4.424 -6.936 -0.770 1.00 . A A . 7 ARG H 1 1 1 65 1 1 7 ARG HA H -2.071 -8.378 -1.400 1.00 . A A . 7 ARG HA 1 1 1 66 1 1 7 ARG HB3 H -3.707 -6.386 -3.001 1.00 . A A . 7 ARG HB3 1 1 1 67 1 1 7 ARG HD3 H -0.546 -8.468 -3.217 1.00 . A A . 7 ARG HD3 1 1 1 68 1 1 7 ARG HE H -2.031 -10.201 -2.863 1.00 . A A . 7 ARG HE 1 1 1 69 1 1 7 ARG HG3 H -1.509 -6.459 -4.031 1.00 . A A . 7 ARG HG3 1 1 1 70 1 1 7 ARG HH11 H -2.285 -9.046 -6.190 1.00 . A A . 7 ARG HH11 1 1 1 71 1 1 7 ARG HH12 H -3.365 -10.352 -6.688 1.00 . A A . 7 ARG HH12 1 1 1 72 1 1 7 ARG HH21 H -3.425 -11.882 -3.514 1.00 . A A . 7 ARG HH21 1 1 1 73 1 1 7 ARG HH22 H -4.010 -11.951 -5.179 1.00 . A A . 7 ARG HH22 1 1 1 74 1 1 7 ARG N N -3.457 -7.124 -0.507 1.00 . A A . 7 ARG N 1 1 1 75 1 1 7 ARG NE N -2.047 -9.797 -3.799 1.00 . A A . 7 ARG NE 1 1 1 76 1 1 7 ARG NH1 N -2.810 -9.891 -5.967 1.00 . A A . 7 ARG NH1 1 1 1 77 1 1 7 ARG NH2 N -3.454 -11.493 -4.456 1.00 . A A . 7 ARG NH2 1 1 1 78 1 1 7 ARG O O -0.159 -6.749 -1.399 1.00 . A A . 7 ARG O 1 1 1 79 1 1 8 CYS C C 0.012 -4.009 -0.069 1.00 . A A . 8 CYS C 1 1 1 80 1 1 8 CYS CA C -0.674 -4.027 -1.432 1.00 . A A . 8 CYS CA 1 1 1 81 1 1 8 CYS CB C -1.325 -2.668 -1.705 1.00 . A A . 8 CYS CB 1 1 1 82 1 1 8 CYS H H -2.659 -4.838 -1.563 1.00 . A A . 8 CYS H 1 1 1 83 1 1 8 CYS HA H 0.074 -4.222 -2.200 1.00 . A A . 8 CYS HA 1 1 1 84 1 1 8 CYS HB3 H -0.708 -1.885 -1.266 1.00 . A A . 8 CYS HB3 1 1 1 85 1 1 8 CYS N N -1.672 -5.087 -1.498 1.00 . A A . 8 CYS N 1 1 1 86 1 1 8 CYS O O 1.180 -3.641 0.044 1.00 . A A . 8 CYS O 1 1 1 87 1 1 8 CYS SG S -1.533 -2.285 -3.473 1.00 . A A . 8 CYS SG 1 1 1 88 1 1 9 ASN C C 0.888 -5.520 2.454 1.00 . A A . 9 ASN C 1 1 1 89 1 1 9 ASN CA C -0.185 -4.442 2.318 1.00 . A A . 9 ASN CA 1 1 1 90 1 1 9 ASN CB C -1.306 -4.693 3.328 1.00 . A A . 9 ASN CB 1 1 1 91 1 1 9 ASN CG C -1.006 -4.090 4.687 1.00 . A A . 9 ASN CG 1 1 1 92 1 1 9 ASN H H -1.687 -4.705 0.804 1.00 . A A . 9 ASN H 1 1 1 93 1 1 9 ASN HA H 0.265 -3.470 2.521 1.00 . A A . 9 ASN HA 1 1 1 94 1 1 9 ASN HB3 H -1.444 -5.768 3.451 1.00 . A A . 9 ASN HB3 1 1 1 95 1 1 9 ASN HD21 H -0.954 -2.247 3.859 1.00 . A A . 9 ASN HD21 1 1 1 96 1 1 9 ASN HD22 H -0.655 -2.337 5.630 1.00 . A A . 9 ASN HD22 1 1 1 97 1 1 9 ASN N N -0.722 -4.412 0.962 1.00 . A A . 9 ASN N 1 1 1 98 1 1 9 ASN ND2 N -0.858 -2.771 4.729 1.00 . A A . 9 ASN ND2 1 1 1 99 1 1 9 ASN O O 1.976 -5.265 2.969 1.00 . A A . 9 ASN O 1 1 1 100 1 1 9 ASN OD1 O -0.908 -4.802 5.686 1.00 . A A . 9 ASN OD1 1 1 1 101 1 1 10 TYR C C 2.612 -7.690 1.016 1.00 . A A . 10 TYR C 1 1 1 102 1 1 10 TYR CA C 1.507 -7.839 2.057 1.00 . A A . 10 TYR CA 1 1 1 103 1 1 10 TYR CB C 0.769 -9.163 1.849 1.00 . A A . 10 TYR CB 1 1 1 104 1 1 10 TYR CD1 C 1.933 -10.773 3.407 1.00 . A A . 10 TYR CD1 1 1 1 105 1 1 10 TYR CD2 C 2.129 -11.138 1.060 1.00 . A A . 10 TYR CD2 1 1 1 106 1 1 10 TYR CE1 C 2.717 -11.885 3.651 1.00 . A A . 10 TYR CE1 1 1 1 107 1 1 10 TYR CE2 C 2.911 -12.253 1.294 1.00 . A A . 10 TYR CE2 1 1 1 108 1 1 10 TYR CG C 1.626 -10.381 2.110 1.00 . A A . 10 TYR CG 1 1 1 109 1 1 10 TYR CZ C 3.203 -12.622 2.591 1.00 . A A . 10 TYR CZ 1 1 1 110 1 1 10 TYR H H -0.348 -6.869 1.570 1.00 . A A . 10 TYR H 1 1 1 111 1 1 10 TYR HA H 1.955 -7.837 3.050 1.00 . A A . 10 TYR HA 1 1 1 112 1 1 10 TYR HB3 H 0.415 -9.216 0.820 1.00 . A A . 10 TYR HB3 1 1 1 113 1 1 10 TYR HD1 H 1.551 -10.195 4.235 1.00 . A A . 10 TYR HD1 1 1 1 114 1 1 10 TYR HD2 H 1.899 -10.846 0.046 1.00 . A A . 10 TYR HD2 1 1 1 115 1 1 10 TYR HE1 H 2.945 -12.174 4.666 1.00 . A A . 10 TYR HE1 1 1 1 116 1 1 10 TYR HE2 H 3.294 -12.829 0.464 1.00 . A A . 10 TYR HE2 1 1 1 117 1 1 10 TYR HH H 4.045 -14.266 2.010 1.00 . A A . 10 TYR HH 1 1 1 118 1 1 10 TYR N N 0.571 -6.722 1.987 1.00 . A A . 10 TYR N 1 1 1 119 1 1 10 TYR O O 3.746 -8.118 1.233 1.00 . A A . 10 TYR O 1 1 1 120 1 1 10 TYR OH O 3.983 -13.729 2.828 1.00 . A A . 10 TYR OH 1 1 1 121 1 1 11 ALA C C 4.189 -5.732 -0.858 1.00 . A A . 11 ALA C 1 1 1 122 1 1 11 ALA CA C 3.234 -6.873 -1.190 1.00 . A A . 11 ALA CA 1 1 1 123 1 1 11 ALA CB C 2.511 -6.595 -2.500 1.00 . A A . 11 ALA CB 1 1 1 124 1 1 11 ALA H H 1.314 -6.750 -0.233 1.00 . A A . 11 ALA H 1 1 1 125 1 1 11 ALA HA H 3.809 -7.791 -1.309 1.00 . A A . 11 ALA HA 1 1 1 126 1 1 11 ALA HB1 H 1.698 -7.310 -2.624 1.00 . A A . 11 ALA HB1 1 1 1 127 1 1 11 ALA HB2 H 2.107 -5.583 -2.484 1.00 . A A . 11 ALA HB2 1 1 1 128 1 1 11 ALA HB3 H 3.211 -6.694 -3.329 1.00 . A A . 11 ALA HB3 1 1 1 129 1 1 11 ALA N N 2.272 -7.081 -0.116 1.00 . A A . 11 ALA N 1 1 1 130 1 1 11 ALA O O 5.387 -5.811 -1.134 1.00 . A A . 11 ALA O 1 1 1 131 1 1 12 HIS C C 4.397 -3.264 1.608 1.00 . A A . 12 HIS C 1 1 1 132 1 1 12 HIS CA C 4.458 -3.512 0.104 1.00 . A A . 12 HIS CA 1 1 1 133 1 1 12 HIS CB C 3.993 -2.220 -0.571 1.00 . A A . 12 HIS CB 1 1 1 134 1 1 12 HIS CD2 C 2.188 -1.886 -2.406 1.00 . A A . 12 HIS CD2 1 1 1 135 1 1 12 HIS CE1 C 2.958 -3.320 -3.875 1.00 . A A . 12 HIS CE1 1 1 1 136 1 1 12 HIS CG C 3.305 -2.445 -1.883 1.00 . A A . 12 HIS CG 1 1 1 137 1 1 12 HIS H H 2.652 -4.666 -0.063 1.00 . A A . 12 HIS H 1 1 1 138 1 1 12 HIS HA H 5.491 -3.719 -0.176 1.00 . A A . 12 HIS HA 1 1 1 139 1 1 12 HIS HB3 H 4.857 -1.581 -0.751 1.00 . A A . 12 HIS HB3 1 1 1 140 1 1 12 HIS HD2 H 1.567 -1.139 -1.936 1.00 . A A . 12 HIS HD2 1 1 1 141 1 1 12 HIS HE1 H 3.066 -3.917 -4.768 1.00 . A A . 12 HIS HE1 1 1 1 142 1 1 12 HIS HE2 H 1.228 -2.225 -4.281 1.00 . A A . 12 HIS HE2 1 1 1 143 1 1 12 HIS N N 3.652 -4.670 -0.266 1.00 . A A . 12 HIS N 1 1 1 144 1 1 12 HIS ND1 N 3.762 -3.340 -2.828 1.00 . A A . 12 HIS ND1 1 1 1 145 1 1 12 HIS NE2 N 1.993 -2.447 -3.643 1.00 . A A . 12 HIS NE2 1 1 1 146 1 1 12 HIS O O 3.882 -2.247 2.075 1.00 . A A . 12 HIS O 1 1 1 147 1 1 13 PRO C C 5.900 -3.043 4.352 1.00 . A A . 13 PRO C 1 1 1 148 1 1 13 PRO CA C 4.950 -4.124 3.850 1.00 . A A . 13 PRO CA 1 1 1 149 1 1 13 PRO CB C 5.437 -5.508 4.286 1.00 . A A . 13 PRO CB 1 1 1 150 1 1 13 PRO CD C 5.561 -5.455 1.899 1.00 . A A . 13 PRO CD 1 1 1 151 1 1 13 PRO CG C 6.224 -6.015 3.127 1.00 . A A . 13 PRO CG 1 1 1 152 1 1 13 PRO HA H 3.952 -3.945 4.252 1.00 . A A . 13 PRO HA 1 1 1 153 1 1 13 PRO HB3 H 4.582 -6.149 4.499 1.00 . A A . 13 PRO HB3 1 1 1 154 1 1 13 PRO HD3 H 4.810 -6.149 1.521 1.00 . A A . 13 PRO HD3 1 1 1 155 1 1 13 PRO HG3 H 6.195 -7.105 3.108 1.00 . A A . 13 PRO HG3 1 1 1 156 1 1 13 PRO N N 4.932 -4.216 2.387 1.00 . A A . 13 PRO N 1 1 1 157 1 1 13 PRO O O 5.637 -2.392 5.363 1.00 . A A . 13 PRO O 1 1 1 158 1 1 14 ALA C C 7.355 -0.470 4.126 1.00 . A A . 14 ALA C 1 1 1 159 1 1 14 ALA CA C 7.993 -1.850 4.008 1.00 . A A . 14 ALA CA 1 1 1 160 1 1 14 ALA CB C 9.127 -1.823 2.994 1.00 . A A . 14 ALA CB 1 1 1 161 1 1 14 ALA H H 7.165 -3.427 2.808 1.00 . A A . 14 ALA H 1 1 1 162 1 1 14 ALA HA H 8.411 -2.129 4.976 1.00 . A A . 14 ALA HA 1 1 1 163 1 1 14 ALA HB1 H 9.708 -0.910 3.122 1.00 . A A . 14 ALA HB1 1 1 1 164 1 1 14 ALA HB2 H 9.771 -2.689 3.148 1.00 . A A . 14 ALA HB2 1 1 1 165 1 1 14 ALA HB3 H 8.713 -1.853 1.986 1.00 . A A . 14 ALA HB3 1 1 1 166 1 1 14 ALA N N 7.006 -2.854 3.637 1.00 . A A . 14 ALA N 1 1 1 167 1 1 14 ALA O O 7.583 0.250 5.100 1.00 . A A . 14 ALA O 1 1 1 168 1 1 15 ILE C C 4.627 1.151 2.258 1.00 . A A . 15 ILE C 1 1 1 169 1 1 15 ILE CA C 5.883 1.188 3.123 1.00 . A A . 15 ILE CA 1 1 1 170 1 1 15 ILE CB C 6.813 2.302 2.610 1.00 . A A . 15 ILE CB 1 1 1 171 1 1 15 ILE CD1 C 8.060 2.948 0.486 1.00 . A A . 15 ILE CD1 1 1 1 172 1 1 15 ILE CG1 C 7.592 1.823 1.383 1.00 . A A . 15 ILE CG1 1 1 1 173 1 1 15 ILE CG2 C 7.768 2.744 3.710 1.00 . A A . 15 ILE CG2 1 1 1 174 1 1 15 ILE H H 6.405 -0.748 2.352 1.00 . A A . 15 ILE H 1 1 1 175 1 1 15 ILE HA H 5.598 1.424 4.149 1.00 . A A . 15 ILE HA 1 1 1 176 1 1 15 ILE HB H 6.200 3.159 2.331 1.00 . A A . 15 ILE HB 1 1 1 177 1 1 15 ILE HD11 H 8.938 3.421 0.925 1.00 . A A . 15 ILE HD11 1 1 1 178 1 1 15 ILE HD12 H 8.311 2.549 -0.496 1.00 . A A . 15 ILE HD12 1 1 1 179 1 1 15 ILE HD13 H 7.264 3.685 0.385 1.00 . A A . 15 ILE HD13 1 1 1 180 1 1 15 ILE HG13 H 6.955 1.164 0.793 1.00 . A A . 15 ILE HG13 1 1 1 181 1 1 15 ILE HG21 H 7.299 2.585 4.682 1.00 . A A . 15 ILE HG21 1 1 1 182 1 1 15 ILE HG22 H 8.687 2.160 3.650 1.00 . A A . 15 ILE HG22 1 1 1 183 1 1 15 ILE HG23 H 8.000 3.802 3.588 1.00 . A A . 15 ILE HG23 1 1 1 184 1 1 15 ILE N N 6.554 -0.105 3.129 1.00 . A A . 15 ILE N 1 1 1 185 1 1 15 ILE O O 4.671 0.741 1.098 1.00 . A A . 15 ILE O 1 1 1 186 1 1 16 CYS C C 2.181 2.784 1.145 1.00 . A A . 16 CYS C 1 1 1 187 1 1 16 CYS CA C 2.240 1.605 2.111 1.00 . A A . 16 CYS CA 1 1 1 188 1 1 16 CYS CB C 1.073 1.680 3.097 1.00 . A A . 16 CYS CB 1 1 1 189 1 1 16 CYS H H 3.539 1.914 3.795 1.00 . A A . 16 CYS H 1 1 1 190 1 1 16 CYS HA H 2.164 0.680 1.541 1.00 . A A . 16 CYS HA 1 1 1 191 1 1 16 CYS HB3 H 1.077 2.658 3.579 1.00 . A A . 16 CYS HB3 1 1 1 192 1 1 16 CYS N N 3.509 1.586 2.829 1.00 . A A . 16 CYS N 1 1 1 193 1 1 16 CYS O O 1.305 3.642 1.248 1.00 . A A . 16 CYS O 1 1 1 194 1 1 16 CYS SG S -0.562 1.443 2.333 1.00 . A A . 16 CYS SG 1 1 1 195 1 1 17 GLY C C 2.035 3.798 -1.785 1.00 . A A . 17 GLY C 1 1 1 196 1 1 17 GLY CA C 3.156 3.896 -0.769 1.00 . A A . 17 GLY CA 1 1 1 197 1 1 17 GLY H H 3.820 2.079 0.167 1.00 . A A . 17 GLY H 1 1 1 198 1 1 17 GLY HA2 H 3.074 4.848 -0.243 1.00 . A A . 17 GLY HA2 1 1 1 199 1 1 17 GLY HA3 H 4.109 3.863 -1.295 1.00 . A A . 17 GLY HA3 1 1 1 200 1 1 17 GLY N N 3.119 2.819 0.203 1.00 . A A . 17 GLY N 1 1 1 201 1 1 17 GLY O O 1.508 4.813 -2.238 1.00 . A A . 17 GLY O 1 1 1 202 1 1 18 GLY C C -0.672 3.086 -2.731 1.00 . A A . 18 GLY C 1 1 1 203 1 1 18 GLY CA C 0.607 2.367 -3.112 1.00 . A A . 18 GLY CA 1 1 1 204 1 1 18 GLY H H 2.143 1.766 -1.735 1.00 . A A . 18 GLY H 1 1 1 205 1 1 18 GLY HA2 H 0.941 2.732 -4.084 1.00 . A A . 18 GLY HA2 1 1 1 206 1 1 18 GLY HA3 H 0.401 1.300 -3.189 1.00 . A A . 18 GLY HA3 1 1 1 207 1 1 18 GLY N N 1.669 2.572 -2.145 1.00 . A A . 18 GLY N 1 1 1 208 1 1 18 GLY O O -1.485 3.420 -3.591 1.00 . A A . 18 GLY O 1 1 1 209 1 1 19 ALA C C -2.208 5.367 -1.610 1.00 . A A . 19 ALA C 1 1 1 210 1 1 19 ALA CA C -2.039 4.007 -0.941 1.00 . A A . 19 ALA CA 1 1 1 211 1 1 19 ALA CB C -1.966 4.166 0.571 1.00 . A A . 19 ALA CB 1 1 1 212 1 1 19 ALA H H -0.138 3.021 -0.771 1.00 . A A . 19 ALA H 1 1 1 213 1 1 19 ALA HA H -2.905 3.388 -1.175 1.00 . A A . 19 ALA HA 1 1 1 214 1 1 19 ALA HB1 H -2.758 3.577 1.036 1.00 . A A . 19 ALA HB1 1 1 1 215 1 1 19 ALA HB2 H -0.996 3.818 0.927 1.00 . A A . 19 ALA HB2 1 1 1 216 1 1 19 ALA HB3 H -2.093 5.216 0.831 1.00 . A A . 19 ALA HB3 1 1 1 217 1 1 19 ALA N N -0.851 3.323 -1.435 1.00 . A A . 19 ALA N 1 1 1 218 1 1 19 ALA O O -3.328 5.827 -1.828 1.00 . A A . 19 ALA O 1 1 1 219 1 1 20 ALA C C -1.943 7.277 -3.858 1.00 . A A . 20 ALA C 1 1 1 220 1 1 20 ALA CA C -1.114 7.312 -2.579 1.00 . A A . 20 ALA CA 1 1 1 221 1 1 20 ALA CB C 0.303 7.780 -2.880 1.00 . A A . 20 ALA CB 1 1 1 222 1 1 20 ALA H H -0.189 5.569 -1.727 1.00 . A A . 20 ALA H 1 1 1 223 1 1 20 ALA HA H -1.564 8.022 -1.885 1.00 . A A . 20 ALA HA 1 1 1 224 1 1 20 ALA HB1 H 0.934 7.608 -2.008 1.00 . A A . 20 ALA HB1 1 1 1 225 1 1 20 ALA HB2 H 0.697 7.222 -3.729 1.00 . A A . 20 ALA HB2 1 1 1 226 1 1 20 ALA HB3 H 0.292 8.844 -3.115 1.00 . A A . 20 ALA HB3 1 1 1 227 1 1 20 ALA N N -1.088 6.005 -1.934 1.00 . A A . 20 ALA N 1 1 1 228 1 1 20 ALA O O -2.757 8.165 -4.106 1.00 . A A . 20 ALA O 1 1 1 229 1 1 21 GLY C C -3.923 5.761 -5.690 1.00 . A A . 21 GLY C 1 1 1 230 1 1 21 GLY CA C -2.465 6.113 -5.913 1.00 . A A . 21 GLY CA 1 1 1 231 1 1 21 GLY H H -1.041 5.539 -4.409 1.00 . A A . 21 GLY H 1 1 1 232 1 1 21 GLY HA2 H -2.409 7.056 -6.456 1.00 . A A . 21 GLY HA2 1 1 1 233 1 1 21 GLY HA3 H -2.003 5.330 -6.513 1.00 . A A . 21 GLY HA3 1 1 1 234 1 1 21 GLY N N -1.730 6.244 -4.669 1.00 . A A . 21 GLY N 1 1 1 235 1 1 21 GLY O O -4.810 6.339 -6.317 1.00 . A A . 21 GLY O 1 1 1 236 1 1 22 GLY C C -5.635 3.583 -3.236 1.00 . A A . 22 GLY C 1 1 1 237 1 1 22 GLY CA C -5.532 4.397 -4.510 1.00 . A A . 22 GLY CA 1 1 1 238 1 1 22 GLY H H -3.393 4.366 -4.307 1.00 . A A . 22 GLY H 1 1 1 239 1 1 22 GLY HA2 H -6.156 5.285 -4.413 1.00 . A A . 22 GLY HA2 1 1 1 240 1 1 22 GLY HA3 H -5.898 3.795 -5.341 1.00 . A A . 22 GLY HA3 1 1 1 241 1 1 22 GLY N N -4.171 4.810 -4.796 1.00 . A A . 22 GLY N 1 1 1 242 1 1 22 GLY O O -4.863 3.784 -2.298 1.00 . A A . 22 GLY O 1 1 2 243 1 1 1 GLY C C -5.984 0.677 -1.737 1.00 . A A . 1 GLY C 1 1 2 244 1 1 1 GLY CA C -6.879 1.863 -2.034 1.00 . A A . 1 GLY CA 1 1 2 245 1 1 1 GLY H1 H -6.441 1.940 -3.946 1.00 . A A . 1 GLY H1 1 1 2 246 1 1 1 GLY HA2 H -6.887 2.525 -1.168 1.00 . A A . 1 GLY HA2 1 1 2 247 1 1 1 GLY HA3 H -7.892 1.503 -2.213 1.00 . A A . 1 GLY HA3 1 1 2 248 1 1 1 GLY N N -6.436 2.615 -3.194 1.00 . A A . 1 GLY N 1 1 2 249 1 1 1 GLY O O -6.467 -0.431 -1.497 1.00 . A A . 1 GLY O 1 1 2 250 1 1 2 CYS C C -3.698 -0.517 -0.003 1.00 . A A . 2 CYS C 1 1 2 251 1 1 2 CYS CA C -3.709 -0.154 -1.484 1.00 . A A . 2 CYS CA 1 1 2 252 1 1 2 CYS CB C -2.310 0.280 -1.924 1.00 . A A . 2 CYS CB 1 1 2 253 1 1 2 CYS H H -4.337 1.845 -1.957 1.00 . A A . 2 CYS H 1 1 2 254 1 1 2 CYS HA H -4.006 -1.032 -2.059 1.00 . A A . 2 CYS HA 1 1 2 255 1 1 2 CYS HB3 H -1.574 -0.158 -1.250 1.00 . A A . 2 CYS HB3 1 1 2 256 1 1 2 CYS N N -4.675 0.906 -1.753 1.00 . A A . 2 CYS N 1 1 2 257 1 1 2 CYS O O -3.682 -1.694 0.360 1.00 . A A . 2 CYS O 1 1 2 258 1 1 2 CYS SG S -1.876 -0.220 -3.621 1.00 . A A . 2 CYS SG 1 1 2 259 1 1 3 CYS C C -4.914 -0.523 2.732 1.00 . A A . 3 CYS C 1 1 2 260 1 1 3 CYS CA C -3.699 0.291 2.293 1.00 . A A . 3 CYS CA 1 1 2 261 1 1 3 CYS CB C -3.680 1.634 3.026 1.00 . A A . 3 CYS CB 1 1 2 262 1 1 3 CYS H H -3.723 1.454 0.489 1.00 . A A . 3 CYS H 1 1 2 263 1 1 3 CYS HA H -2.795 -0.264 2.546 1.00 . A A . 3 CYS HA 1 1 2 264 1 1 3 CYS HB3 H -4.204 1.528 3.976 1.00 . A A . 3 CYS HB3 1 1 2 265 1 1 3 CYS N N -3.708 0.500 0.851 1.00 . A A . 3 CYS N 1 1 2 266 1 1 3 CYS O O -4.839 -1.314 3.672 1.00 . A A . 3 CYS O 1 1 2 267 1 1 3 CYS SG S -2.007 2.261 3.381 1.00 . A A . 3 CYS SG 1 1 2 268 1 1 4 SER C C -7.189 -2.485 1.905 1.00 . A A . 4 SER C 1 1 2 269 1 1 4 SER CA C -7.266 -1.032 2.364 1.00 . A A . 4 SER CA 1 1 2 270 1 1 4 SER CB C -8.464 -0.340 1.710 1.00 . A A . 4 SER CB 1 1 2 271 1 1 4 SER H H -6.031 0.349 1.276 1.00 . A A . 4 SER H 1 1 2 272 1 1 4 SER HA H -7.392 -1.013 3.447 1.00 . A A . 4 SER HA 1 1 2 273 1 1 4 SER HB3 H -8.772 -0.908 0.833 1.00 . A A . 4 SER HB3 1 1 2 274 1 1 4 SER HG H -10.309 0.190 2.167 1.00 . A A . 4 SER HG 1 1 2 275 1 1 4 SER N N -6.033 -0.321 2.044 1.00 . A A . 4 SER N 1 1 2 276 1 1 4 SER O O -7.740 -3.380 2.546 1.00 . A A . 4 SER O 1 1 2 277 1 1 4 SER OG O -9.557 -0.258 2.608 1.00 . A A . 4 SER OG 1 1 2 278 1 1 5 ASP C C -5.145 -4.758 0.854 1.00 . A A . 5 ASP C 1 1 2 279 1 1 5 ASP CA C -6.353 -4.055 0.244 1.00 . A A . 5 ASP CA 1 1 2 280 1 1 5 ASP CB C -6.210 -3.997 -1.278 1.00 . A A . 5 ASP CB 1 1 2 281 1 1 5 ASP CG C -6.774 -5.228 -1.960 1.00 . A A . 5 ASP CG 1 1 2 282 1 1 5 ASP H H -6.070 -1.926 0.305 1.00 . A A . 5 ASP H 1 1 2 283 1 1 5 ASP HA H -7.251 -4.619 0.494 1.00 . A A . 5 ASP HA 1 1 2 284 1 1 5 ASP HB3 H -5.154 -3.912 -1.534 1.00 . A A . 5 ASP HB3 1 1 2 285 1 1 5 ASP N N -6.503 -2.711 0.790 1.00 . A A . 5 ASP N 1 1 2 286 1 1 5 ASP O O -4.082 -4.166 1.044 1.00 . A A . 5 ASP O 1 1 2 287 1 1 5 ASP OD1 O -6.002 -6.181 -2.196 1.00 . A A . 5 ASP OD1 1 1 2 288 1 1 5 ASP OD2 O -7.986 -5.238 -2.257 1.00 . A A . 5 ASP OD2 1 1 2 289 1 1 6 PRO C C -3.113 -7.146 0.781 1.00 . A A . 6 PRO C 1 1 2 290 1 1 6 PRO CA C -4.243 -6.862 1.765 1.00 . A A . 6 PRO CA 1 1 2 291 1 1 6 PRO CB C -4.957 -8.162 2.147 1.00 . A A . 6 PRO CB 1 1 2 292 1 1 6 PRO CD C -6.549 -6.821 0.971 1.00 . A A . 6 PRO CD 1 1 2 293 1 1 6 PRO CG C -6.122 -8.241 1.221 1.00 . A A . 6 PRO CG 1 1 2 294 1 1 6 PRO HA H -3.835 -6.393 2.660 1.00 . A A . 6 PRO HA 1 1 2 295 1 1 6 PRO HB3 H -5.279 -8.111 3.187 1.00 . A A . 6 PRO HB3 1 1 2 296 1 1 6 PRO HD3 H -7.311 -6.520 1.690 1.00 . A A . 6 PRO HD3 1 1 2 297 1 1 6 PRO HG3 H -6.930 -8.801 1.691 1.00 . A A . 6 PRO HG3 1 1 2 298 1 1 6 PRO N N -5.309 -6.051 1.170 1.00 . A A . 6 PRO N 1 1 2 299 1 1 6 PRO O O -1.969 -7.360 1.180 1.00 . A A . 6 PRO O 1 1 2 300 1 1 7 ARG C C -1.309 -6.395 -1.473 1.00 . A A . 7 ARG C 1 1 2 301 1 1 7 ARG CA C -2.454 -7.402 -1.548 1.00 . A A . 7 ARG CA 1 1 2 302 1 1 7 ARG CB C -3.110 -7.342 -2.929 1.00 . A A . 7 ARG CB 1 1 2 303 1 1 7 ARG CD C -1.240 -8.622 -4.015 1.00 . A A . 7 ARG CD 1 1 2 304 1 1 7 ARG CG C -2.116 -7.381 -4.078 1.00 . A A . 7 ARG CG 1 1 2 305 1 1 7 ARG CZ C -2.779 -10.407 -4.717 1.00 . A A . 7 ARG CZ 1 1 2 306 1 1 7 ARG H H -4.409 -6.958 -0.774 1.00 . A A . 7 ARG H 1 1 2 307 1 1 7 ARG HA H -2.054 -8.403 -1.390 1.00 . A A . 7 ARG HA 1 1 2 308 1 1 7 ARG HB3 H -3.683 -6.418 -3.005 1.00 . A A . 7 ARG HB3 1 1 2 309 1 1 7 ARG HD3 H -0.525 -8.505 -3.200 1.00 . A A . 7 ARG HD3 1 1 2 310 1 1 7 ARG HE H -1.982 -10.256 -2.859 1.00 . A A . 7 ARG HE 1 1 2 311 1 1 7 ARG HG3 H -1.481 -6.496 -4.026 1.00 . A A . 7 ARG HG3 1 1 2 312 1 1 7 ARG HH11 H -2.327 -9.034 -6.154 1.00 . A A . 7 ARG HH11 1 1 2 313 1 1 7 ARG HH12 H -3.432 -10.323 -6.645 1.00 . A A . 7 ARG HH12 1 1 2 314 1 1 7 ARG HH21 H -3.409 -11.915 -3.500 1.00 . A A . 7 ARG HH21 1 1 2 315 1 1 7 ARG HH22 H -4.043 -11.945 -5.149 1.00 . A A . 7 ARG HH22 1 1 2 316 1 1 7 ARG N N -3.442 -7.143 -0.507 1.00 . A A . 7 ARG N 1 1 2 317 1 1 7 ARG NE N -2.023 -9.834 -3.786 1.00 . A A . 7 ARG NE 1 1 2 318 1 1 7 ARG NH1 N -2.852 -9.880 -5.932 1.00 . A A . 7 ARG NH1 1 1 2 319 1 1 7 ARG NH2 N -3.463 -11.507 -4.433 1.00 . A A . 7 ARG NH2 1 1 2 320 1 1 7 ARG O O -0.141 -6.774 -1.390 1.00 . A A . 7 ARG O 1 1 2 321 1 1 8 CYS C C 0.030 -4.031 -0.076 1.00 . A A . 8 CYS C 1 1 2 322 1 1 8 CYS CA C -0.657 -4.050 -1.438 1.00 . A A . 8 CYS CA 1 1 2 323 1 1 8 CYS CB C -1.307 -2.694 -1.713 1.00 . A A . 8 CYS CB 1 1 2 324 1 1 8 CYS H H -2.640 -4.864 -1.572 1.00 . A A . 8 CYS H 1 1 2 325 1 1 8 CYS HA H 0.092 -4.248 -2.206 1.00 . A A . 8 CYS HA 1 1 2 326 1 1 8 CYS HB3 H -0.695 -1.909 -1.268 1.00 . A A . 8 CYS HB3 1 1 2 327 1 1 8 CYS N N -1.654 -5.112 -1.502 1.00 . A A . 8 CYS N 1 1 2 328 1 1 8 CYS O O 1.198 -3.663 0.036 1.00 . A A . 8 CYS O 1 1 2 329 1 1 8 CYS SG S -1.503 -2.309 -3.483 1.00 . A A . 8 CYS SG 1 1 2 330 1 1 9 ASN C C 0.903 -5.537 2.450 1.00 . A A . 9 ASN C 1 1 2 331 1 1 9 ASN CA C -0.168 -4.460 2.312 1.00 . A A . 9 ASN CA 1 1 2 332 1 1 9 ASN CB C -1.289 -4.707 3.323 1.00 . A A . 9 ASN CB 1 1 2 333 1 1 9 ASN CG C -1.671 -3.450 4.081 1.00 . A A . 9 ASN CG 1 1 2 334 1 1 9 ASN H H -1.668 -4.725 0.798 1.00 . A A . 9 ASN H 1 1 2 335 1 1 9 ASN HA H 0.283 -3.488 2.513 1.00 . A A . 9 ASN HA 1 1 2 336 1 1 9 ASN HB3 H -0.965 -5.459 4.041 1.00 . A A . 9 ASN HB3 1 1 2 337 1 1 9 ASN HD21 H 0.168 -3.396 4.920 1.00 . A A . 9 ASN HD21 1 1 2 338 1 1 9 ASN HD22 H -0.967 -2.083 5.393 1.00 . A A . 9 ASN HD22 1 1 2 339 1 1 9 ASN N N -0.705 -4.431 0.957 1.00 . A A . 9 ASN N 1 1 2 340 1 1 9 ASN ND2 N -0.737 -2.928 4.870 1.00 . A A . 9 ASN ND2 1 1 2 341 1 1 9 ASN O O 1.993 -5.283 2.965 1.00 . A A . 9 ASN O 1 1 2 342 1 1 9 ASN OD1 O -2.791 -2.953 3.960 1.00 . A A . 9 ASN OD1 1 1 2 343 1 1 10 TYR C C 2.624 -7.716 1.019 1.00 . A A . 10 TYR C 1 1 2 344 1 1 10 TYR CA C 1.519 -7.860 2.061 1.00 . A A . 10 TYR CA 1 1 2 345 1 1 10 TYR CB C 0.780 -9.183 1.857 1.00 . A A . 10 TYR CB 1 1 2 346 1 1 10 TYR CD1 C 1.789 -10.871 3.439 1.00 . A A . 10 TYR CD1 1 1 2 347 1 1 10 TYR CD2 C 2.271 -11.080 1.115 1.00 . A A . 10 TYR CD2 1 1 2 348 1 1 10 TYR CE1 C 2.564 -11.983 3.705 1.00 . A A . 10 TYR CE1 1 1 2 349 1 1 10 TYR CE2 C 3.048 -12.194 1.370 1.00 . A A . 10 TYR CE2 1 1 2 350 1 1 10 TYR CG C 1.629 -10.400 2.142 1.00 . A A . 10 TYR CG 1 1 2 351 1 1 10 TYR CZ C 3.191 -12.642 2.667 1.00 . A A . 10 TYR CZ 1 1 2 352 1 1 10 TYR H H -0.333 -6.889 1.571 1.00 . A A . 10 TYR H 1 1 2 353 1 1 10 TYR HA H 1.969 -7.855 3.054 1.00 . A A . 10 TYR HA 1 1 2 354 1 1 10 TYR HB3 H 0.441 -9.245 0.823 1.00 . A A . 10 TYR HB3 1 1 2 355 1 1 10 TYR HD1 H 1.297 -10.354 4.251 1.00 . A A . 10 TYR HD1 1 1 2 356 1 1 10 TYR HD2 H 2.156 -10.726 0.100 1.00 . A A . 10 TYR HD2 1 1 2 357 1 1 10 TYR HE1 H 2.677 -12.335 4.720 1.00 . A A . 10 TYR HE1 1 1 2 358 1 1 10 TYR HE2 H 3.539 -12.710 0.558 1.00 . A A . 10 TYR HE2 1 1 2 359 1 1 10 TYR HH H 4.136 -14.231 2.091 1.00 . A A . 10 TYR HH 1 1 2 360 1 1 10 TYR N N 0.586 -6.742 1.988 1.00 . A A . 10 TYR N 1 1 2 361 1 1 10 TYR O O 3.757 -8.143 1.237 1.00 . A A . 10 TYR O 1 1 2 362 1 1 10 TYR OH O 3.964 -13.750 2.927 1.00 . A A . 10 TYR OH 1 1 2 363 1 1 11 ALA C C 4.204 -5.764 -0.862 1.00 . A A . 11 ALA C 1 1 2 364 1 1 11 ALA CA C 3.247 -6.905 -1.190 1.00 . A A . 11 ALA CA 1 1 2 365 1 1 11 ALA CB C 2.525 -6.632 -2.501 1.00 . A A . 11 ALA CB 1 1 2 366 1 1 11 ALA H H 1.328 -6.777 -0.233 1.00 . A A . 11 ALA H 1 1 2 367 1 1 11 ALA HA H 3.822 -7.825 -1.306 1.00 . A A . 11 ALA HA 1 1 2 368 1 1 11 ALA HB1 H 2.125 -5.618 -2.488 1.00 . A A . 11 ALA HB1 1 1 2 369 1 1 11 ALA HB2 H 3.223 -6.737 -3.330 1.00 . A A . 11 ALA HB2 1 1 2 370 1 1 11 ALA HB3 H 1.708 -7.343 -2.620 1.00 . A A . 11 ALA HB3 1 1 2 371 1 1 11 ALA N N 2.285 -7.109 -0.115 1.00 . A A . 11 ALA N 1 1 2 372 1 1 11 ALA O O 5.402 -5.846 -1.135 1.00 . A A . 11 ALA O 1 1 2 373 1 1 12 HIS C C 4.408 -3.283 1.591 1.00 . A A . 12 HIS C 1 1 2 374 1 1 12 HIS CA C 4.473 -3.539 0.089 1.00 . A A . 12 HIS CA 1 1 2 375 1 1 12 HIS CB C 4.012 -2.250 -0.595 1.00 . A A . 12 HIS CB 1 1 2 376 1 1 12 HIS CD2 C 2.212 -1.922 -2.434 1.00 . A A . 12 HIS CD2 1 1 2 377 1 1 12 HIS CE1 C 2.978 -3.369 -3.895 1.00 . A A . 12 HIS CE1 1 1 2 378 1 1 12 HIS CG C 3.326 -2.482 -1.907 1.00 . A A . 12 HIS CG 1 1 2 379 1 1 12 HIS H H 2.667 -4.691 -0.077 1.00 . A A . 12 HIS H 1 1 2 380 1 1 12 HIS HA H 5.506 -3.750 -0.187 1.00 . A A . 12 HIS HA 1 1 2 381 1 1 12 HIS HB3 H 4.878 -1.615 -0.777 1.00 . A A . 12 HIS HB3 1 1 2 382 1 1 12 HIS HD2 H 1.591 -1.170 -1.971 1.00 . A A . 12 HIS HD2 1 1 2 383 1 1 12 HIS HE1 H 3.087 -3.973 -4.783 1.00 . A A . 12 HIS HE1 1 1 2 384 1 1 12 HIS HE2 H 1.254 -2.270 -4.309 1.00 . A A . 12 HIS HE2 1 1 2 385 1 1 12 HIS N N 3.667 -4.698 -0.277 1.00 . A A . 12 HIS N 1 1 2 386 1 1 12 HIS ND1 N 3.782 -3.384 -2.846 1.00 . A A . 12 HIS ND1 1 1 2 387 1 1 12 HIS NE2 N 2.017 -2.490 -3.669 1.00 . A A . 12 HIS NE2 1 1 2 388 1 1 12 HIS O O 3.896 -2.262 2.050 1.00 . A A . 12 HIS O 1 1 2 389 1 1 13 PRO C C 5.903 -3.049 4.337 1.00 . A A . 13 PRO C 1 1 2 390 1 1 13 PRO CA C 4.952 -4.131 3.840 1.00 . A A . 13 PRO CA 1 1 2 391 1 1 13 PRO CB C 5.435 -5.514 4.286 1.00 . A A . 13 PRO CB 1 1 2 392 1 1 13 PRO CD C 5.566 -5.476 1.899 1.00 . A A . 13 PRO CD 1 1 2 393 1 1 13 PRO CG C 6.223 -6.030 3.132 1.00 . A A . 13 PRO CG 1 1 2 394 1 1 13 PRO HA H 3.954 -3.947 4.238 1.00 . A A . 13 PRO HA 1 1 2 395 1 1 13 PRO HB3 H 4.576 -6.151 4.497 1.00 . A A . 13 PRO HB3 1 1 2 396 1 1 13 PRO HD3 H 4.814 -6.169 1.523 1.00 . A A . 13 PRO HD3 1 1 2 397 1 1 13 PRO HG3 H 6.191 -7.119 3.119 1.00 . A A . 13 PRO HG3 1 1 2 398 1 1 13 PRO N N 4.938 -4.231 2.377 1.00 . A A . 13 PRO N 1 1 2 399 1 1 13 PRO O O 5.645 -2.399 5.350 1.00 . A A . 13 PRO O 1 1 2 400 1 1 14 ALA C C 7.357 -0.475 4.107 1.00 . A A . 14 ALA C 1 1 2 401 1 1 14 ALA CA C 7.996 -1.855 3.987 1.00 . A A . 14 ALA CA 1 1 2 402 1 1 14 ALA CB C 9.125 -1.830 2.969 1.00 . A A . 14 ALA CB 1 1 2 403 1 1 14 ALA H H 7.163 -3.434 2.789 1.00 . A A . 14 ALA H 1 1 2 404 1 1 14 ALA HA H 8.416 -2.134 4.953 1.00 . A A . 14 ALA HA 1 1 2 405 1 1 14 ALA HB1 H 9.512 -0.814 2.882 1.00 . A A . 14 ALA HB1 1 1 2 406 1 1 14 ALA HB2 H 9.924 -2.497 3.295 1.00 . A A . 14 ALA HB2 1 1 2 407 1 1 14 ALA HB3 H 8.749 -2.159 2.001 1.00 . A A . 14 ALA HB3 1 1 2 408 1 1 14 ALA N N 7.006 -2.861 3.619 1.00 . A A . 14 ALA N 1 1 2 409 1 1 14 ALA O O 7.588 0.243 5.080 1.00 . A A . 14 ALA O 1 1 2 410 1 1 15 ILE C C 4.629 1.147 2.243 1.00 . A A . 15 ILE C 1 1 2 411 1 1 15 ILE CA C 5.883 1.182 3.108 1.00 . A A . 15 ILE CA 1 1 2 412 1 1 15 ILE CB C 6.815 2.298 2.596 1.00 . A A . 15 ILE CB 1 1 2 413 1 1 15 ILE CD1 C 8.116 2.945 0.507 1.00 . A A . 15 ILE CD1 1 1 2 414 1 1 15 ILE CG1 C 7.596 1.818 1.371 1.00 . A A . 15 ILE CG1 1 1 2 415 1 1 15 ILE CG2 C 7.766 2.741 3.698 1.00 . A A . 15 ILE CG2 1 1 2 416 1 1 15 ILE H H 6.405 -0.753 2.334 1.00 . A A . 15 ILE H 1 1 2 417 1 1 15 ILE HA H 5.599 1.416 4.133 1.00 . A A . 15 ILE HA 1 1 2 418 1 1 15 ILE HB H 6.201 3.152 2.314 1.00 . A A . 15 ILE HB 1 1 2 419 1 1 15 ILE HD11 H 7.710 3.892 0.860 1.00 . A A . 15 ILE HD11 1 1 2 420 1 1 15 ILE HD12 H 9.205 2.973 0.559 1.00 . A A . 15 ILE HD12 1 1 2 421 1 1 15 ILE HD13 H 7.806 2.783 -0.526 1.00 . A A . 15 ILE HD13 1 1 2 422 1 1 15 ILE HG13 H 6.947 1.195 0.756 1.00 . A A . 15 ILE HG13 1 1 2 423 1 1 15 ILE HG21 H 7.247 2.719 4.657 1.00 . A A . 15 ILE HG21 1 1 2 424 1 1 15 ILE HG22 H 8.621 2.065 3.732 1.00 . A A . 15 ILE HG22 1 1 2 425 1 1 15 ILE HG23 H 8.111 3.754 3.494 1.00 . A A . 15 ILE HG23 1 1 2 426 1 1 15 ILE N N 6.556 -0.111 3.112 1.00 . A A . 15 ILE N 1 1 2 427 1 1 15 ILE O O 4.672 0.739 1.082 1.00 . A A . 15 ILE O 1 1 2 428 1 1 16 CYS C C 2.179 2.782 1.134 1.00 . A A . 16 CYS C 1 1 2 429 1 1 16 CYS CA C 2.241 1.599 2.097 1.00 . A A . 16 CYS CA 1 1 2 430 1 1 16 CYS CB C 1.074 1.669 3.084 1.00 . A A . 16 CYS CB 1 1 2 431 1 1 16 CYS H H 3.539 1.906 3.781 1.00 . A A . 16 CYS H 1 1 2 432 1 1 16 CYS HA H 2.167 0.675 1.524 1.00 . A A . 16 CYS HA 1 1 2 433 1 1 16 CYS HB3 H 1.075 2.646 3.568 1.00 . A A . 16 CYS HB3 1 1 2 434 1 1 16 CYS N N 3.511 1.580 2.815 1.00 . A A . 16 CYS N 1 1 2 435 1 1 16 CYS O O 1.301 3.638 1.241 1.00 . A A . 16 CYS O 1 1 2 436 1 1 16 CYS SG S -0.562 1.431 2.319 1.00 . A A . 16 CYS SG 1 1 2 437 1 1 17 GLY C C 2.034 3.807 -1.791 1.00 . A A . 17 GLY C 1 1 2 438 1 1 17 GLY CA C 3.153 3.903 -0.773 1.00 . A A . 17 GLY CA 1 1 2 439 1 1 17 GLY H H 3.821 2.085 0.156 1.00 . A A . 17 GLY H 1 1 2 440 1 1 17 GLY HA2 H 3.069 4.854 -0.245 1.00 . A A . 17 GLY HA2 1 1 2 441 1 1 17 GLY HA3 H 4.108 3.875 -1.297 1.00 . A A . 17 GLY HA3 1 1 2 442 1 1 17 GLY N N 3.119 2.823 0.195 1.00 . A A . 17 GLY N 1 1 2 443 1 1 17 GLY O O 1.503 4.823 -2.238 1.00 . A A . 17 GLY O 1 1 2 444 1 1 18 GLY C C -0.667 3.093 -2.744 1.00 . A A . 18 GLY C 1 1 2 445 1 1 18 GLY CA C 0.614 2.378 -3.128 1.00 . A A . 18 GLY CA 1 1 2 446 1 1 18 GLY H H 2.151 1.776 -1.752 1.00 . A A . 18 GLY H 1 1 2 447 1 1 18 GLY HA2 H 0.948 2.748 -4.098 1.00 . A A . 18 GLY HA2 1 1 2 448 1 1 18 GLY HA3 H 0.410 1.310 -3.208 1.00 . A A . 18 GLY HA3 1 1 2 449 1 1 18 GLY N N 1.675 2.581 -2.158 1.00 . A A . 18 GLY N 1 1 2 450 1 1 18 GLY O O -1.478 3.432 -3.605 1.00 . A A . 18 GLY O 1 1 2 451 1 1 19 ALA C C -2.209 5.364 -1.613 1.00 . A A . 19 ALA C 1 1 2 452 1 1 19 ALA CA C -2.041 4.001 -0.953 1.00 . A A . 19 ALA CA 1 1 2 453 1 1 19 ALA CB C -1.973 4.149 0.560 1.00 . A A . 19 ALA CB 1 1 2 454 1 1 19 ALA H H -0.139 3.015 -0.784 1.00 . A A . 19 ALA H 1 1 2 455 1 1 19 ALA HA H -2.906 3.382 -1.193 1.00 . A A . 19 ALA HA 1 1 2 456 1 1 19 ALA HB1 H -1.002 3.805 0.915 1.00 . A A . 19 ALA HB1 1 1 2 457 1 1 19 ALA HB2 H -2.109 5.196 0.829 1.00 . A A . 19 ALA HB2 1 1 2 458 1 1 19 ALA HB3 H -2.760 3.550 1.019 1.00 . A A . 19 ALA HB3 1 1 2 459 1 1 19 ALA N N -0.850 3.321 -1.448 1.00 . A A . 19 ALA N 1 1 2 460 1 1 19 ALA O O -3.329 5.824 -1.831 1.00 . A A . 19 ALA O 1 1 2 461 1 1 20 ALA C C -1.939 7.291 -3.846 1.00 . A A . 20 ALA C 1 1 2 462 1 1 20 ALA CA C -1.113 7.318 -2.563 1.00 . A A . 20 ALA CA 1 1 2 463 1 1 20 ALA CB C 0.303 7.790 -2.856 1.00 . A A . 20 ALA CB 1 1 2 464 1 1 20 ALA H H -0.191 5.570 -1.721 1.00 . A A . 20 ALA H 1 1 2 465 1 1 20 ALA HA H -1.568 8.023 -1.866 1.00 . A A . 20 ALA HA 1 1 2 466 1 1 20 ALA HB1 H 0.969 7.448 -2.064 1.00 . A A . 20 ALA HB1 1 1 2 467 1 1 20 ALA HB2 H 0.633 7.379 -3.810 1.00 . A A . 20 ALA HB2 1 1 2 468 1 1 20 ALA HB3 H 0.321 8.879 -2.903 1.00 . A A . 20 ALA HB3 1 1 2 469 1 1 20 ALA N N -1.089 6.007 -1.927 1.00 . A A . 20 ALA N 1 1 2 470 1 1 20 ALA O O -2.700 8.217 -4.125 1.00 . A A . 20 ALA O 1 1 2 471 1 1 21 GLY C C -3.996 5.837 -5.642 1.00 . A A . 21 GLY C 1 1 2 472 1 1 21 GLY CA C -2.520 6.097 -5.866 1.00 . A A . 21 GLY CA 1 1 2 473 1 1 21 GLY H H -1.137 5.487 -4.338 1.00 . A A . 21 GLY H 1 1 2 474 1 1 21 GLY HA2 H -2.407 7.018 -6.439 1.00 . A A . 21 GLY HA2 1 1 2 475 1 1 21 GLY HA3 H -2.101 5.270 -6.441 1.00 . A A . 21 GLY HA3 1 1 2 476 1 1 21 GLY N N -1.783 6.223 -4.623 1.00 . A A . 21 GLY N 1 1 2 477 1 1 21 GLY O O -4.847 6.466 -6.271 1.00 . A A . 21 GLY O 1 1 2 478 1 1 22 GLY C C -5.843 3.814 -3.155 1.00 . A A . 22 GLY C 1 1 2 479 1 1 22 GLY CA C -5.686 4.580 -4.454 1.00 . A A . 22 GLY CA 1 1 2 480 1 1 22 GLY H H -3.553 4.419 -4.252 1.00 . A A . 22 GLY H 1 1 2 481 1 1 22 GLY HA2 H -6.260 5.505 -4.389 1.00 . A A . 22 GLY HA2 1 1 2 482 1 1 22 GLY HA3 H -6.083 3.976 -5.268 1.00 . A A . 22 GLY HA3 1 1 2 483 1 1 22 GLY N N -4.302 4.907 -4.742 1.00 . A A . 22 GLY N 1 1 2 484 1 1 22 GLY O O -5.388 4.262 -2.103 1.00 . A A . 22 GLY O 1 1 3 485 1 1 1 GLY C C -5.994 0.786 -1.687 1.00 . A A . 1 GLY C 1 1 3 486 1 1 1 GLY CA C -6.880 1.982 -1.973 1.00 . A A . 1 GLY CA 1 1 3 487 1 1 1 GLY H1 H -6.459 2.061 -3.888 1.00 . A A . 1 GLY H1 1 1 3 488 1 1 1 GLY HA2 H -6.876 2.641 -1.104 1.00 . A A . 1 GLY HA2 1 1 3 489 1 1 1 GLY HA3 H -7.898 1.632 -2.144 1.00 . A A . 1 GLY HA3 1 1 3 490 1 1 1 GLY N N -6.442 2.733 -3.134 1.00 . A A . 1 GLY N 1 1 3 491 1 1 1 GLY O O -6.485 -0.320 -1.456 1.00 . A A . 1 GLY O 1 1 3 492 1 1 2 CYS C C -3.714 -0.438 0.033 1.00 . A A . 2 CYS C 1 1 3 493 1 1 2 CYS CA C -3.725 -0.063 -1.447 1.00 . A A . 2 CYS CA 1 1 3 494 1 1 2 CYS CB C -2.324 0.364 -1.886 1.00 . A A . 2 CYS CB 1 1 3 495 1 1 2 CYS H H -4.340 1.945 -1.901 1.00 . A A . 2 CYS H 1 1 3 496 1 1 2 CYS HA H -4.030 -0.933 -2.028 1.00 . A A . 2 CYS HA 1 1 3 497 1 1 2 CYS HB3 H -1.589 -0.084 -1.218 1.00 . A A . 2 CYS HB3 1 1 3 498 1 1 2 CYS N N -4.683 1.005 -1.704 1.00 . A A . 2 CYS N 1 1 3 499 1 1 2 CYS O O -3.704 -1.619 0.385 1.00 . A A . 2 CYS O 1 1 3 500 1 1 2 CYS SG S -1.897 -0.124 -3.588 1.00 . A A . 2 CYS SG 1 1 3 501 1 1 3 CYS C C -4.924 -0.458 2.769 1.00 . A A . 3 CYS C 1 1 3 502 1 1 3 CYS CA C -3.705 0.350 2.335 1.00 . A A . 3 CYS CA 1 1 3 503 1 1 3 CYS CB C -3.674 1.687 3.078 1.00 . A A . 3 CYS CB 1 1 3 504 1 1 3 CYS H H -3.723 1.529 0.539 1.00 . A A . 3 CYS H 1 1 3 505 1 1 3 CYS HA H -2.804 -0.213 2.581 1.00 . A A . 3 CYS HA 1 1 3 506 1 1 3 CYS HB3 H -4.197 1.578 4.028 1.00 . A A . 3 CYS HB3 1 1 3 507 1 1 3 CYS N N -3.715 0.573 0.894 1.00 . A A . 3 CYS N 1 1 3 508 1 1 3 CYS O O -4.851 -1.258 3.702 1.00 . A A . 3 CYS O 1 1 3 509 1 1 3 CYS SG S -1.996 2.301 3.435 1.00 . A A . 3 CYS SG 1 1 3 510 1 1 4 SER C C -7.215 -2.398 1.932 1.00 . A A . 4 SER C 1 1 3 511 1 1 4 SER CA C -7.279 -0.948 2.403 1.00 . A A . 4 SER CA 1 1 3 512 1 1 4 SER CB C -8.474 -0.242 1.758 1.00 . A A . 4 SER CB 1 1 3 513 1 1 4 SER H H -6.038 0.434 1.324 1.00 . A A . 4 SER H 1 1 3 514 1 1 4 SER HA H -7.404 -0.936 3.486 1.00 . A A . 4 SER HA 1 1 3 515 1 1 4 SER HB3 H -8.141 0.288 0.866 1.00 . A A . 4 SER HB3 1 1 3 516 1 1 4 SER HG H -10.231 -0.698 0.981 1.00 . A A . 4 SER HG 1 1 3 517 1 1 4 SER N N -6.043 -0.243 2.087 1.00 . A A . 4 SER N 1 1 3 518 1 1 4 SER O O -7.770 -3.294 2.567 1.00 . A A . 4 SER O 1 1 3 519 1 1 4 SER OG O -9.477 -1.172 1.389 1.00 . A A . 4 SER OG 1 1 3 520 1 1 5 ASP C C -5.188 -4.675 0.858 1.00 . A A . 5 ASP C 1 1 3 521 1 1 5 ASP CA C -6.393 -3.958 0.256 1.00 . A A . 5 ASP CA 1 1 3 522 1 1 5 ASP CB C -6.253 -3.889 -1.266 1.00 . A A . 5 ASP CB 1 1 3 523 1 1 5 ASP CG C -6.827 -5.110 -1.957 1.00 . A A . 5 ASP CG 1 1 3 524 1 1 5 ASP H H -6.095 -1.832 0.335 1.00 . A A . 5 ASP H 1 1 3 525 1 1 5 ASP HA H -7.294 -4.520 0.503 1.00 . A A . 5 ASP HA 1 1 3 526 1 1 5 ASP HB3 H -5.197 -3.810 -1.524 1.00 . A A . 5 ASP HB3 1 1 3 527 1 1 5 ASP N N -6.532 -2.619 0.814 1.00 . A A . 5 ASP N 1 1 3 528 1 1 5 ASP O O -4.121 -4.092 1.050 1.00 . A A . 5 ASP O 1 1 3 529 1 1 5 ASP OD1 O -6.034 -5.967 -2.401 1.00 . A A . 5 ASP OD1 1 1 3 530 1 1 5 ASP OD2 O -8.067 -5.209 -2.052 1.00 . A A . 5 ASP OD2 1 1 3 531 1 1 6 PRO C C -3.173 -7.076 0.759 1.00 . A A . 6 PRO C 1 1 3 532 1 1 6 PRO CA C -4.299 -6.793 1.748 1.00 . A A . 6 PRO CA 1 1 3 533 1 1 6 PRO CB C -5.021 -8.090 2.122 1.00 . A A . 6 PRO CB 1 1 3 534 1 1 6 PRO CD C -6.606 -6.729 0.961 1.00 . A A . 6 PRO CD 1 1 3 535 1 1 6 PRO CG C -6.188 -8.153 1.197 1.00 . A A . 6 PRO CG 1 1 3 536 1 1 6 PRO HA H -3.885 -6.334 2.646 1.00 . A A . 6 PRO HA 1 1 3 537 1 1 6 PRO HB3 H -5.340 -8.048 3.164 1.00 . A A . 6 PRO HB3 1 1 3 538 1 1 6 PRO HD3 H -7.366 -6.430 1.683 1.00 . A A . 6 PRO HD3 1 1 3 539 1 1 6 PRO HG3 H -6.999 -8.713 1.664 1.00 . A A . 6 PRO HG3 1 1 3 540 1 1 6 PRO N N -5.361 -5.970 1.163 1.00 . A A . 6 PRO N 1 1 3 541 1 1 6 PRO O O -2.028 -7.298 1.154 1.00 . A A . 6 PRO O 1 1 3 542 1 1 7 ARG C C -1.370 -6.323 -1.492 1.00 . A A . 7 ARG C 1 1 3 543 1 1 7 ARG CA C -2.522 -7.322 -1.573 1.00 . A A . 7 ARG CA 1 1 3 544 1 1 7 ARG CB C -3.181 -7.246 -2.952 1.00 . A A . 7 ARG CB 1 1 3 545 1 1 7 ARG CD C -2.478 -8.802 -4.796 1.00 . A A . 7 ARG CD 1 1 3 546 1 1 7 ARG CG C -2.214 -7.475 -4.102 1.00 . A A . 7 ARG CG 1 1 3 547 1 1 7 ARG CZ C -2.124 -11.193 -4.345 1.00 . A A . 7 ARG CZ 1 1 3 548 1 1 7 ARG H H -4.473 -6.875 -0.790 1.00 . A A . 7 ARG H 1 1 3 549 1 1 7 ARG HA H -2.127 -8.327 -1.423 1.00 . A A . 7 ARG HA 1 1 3 550 1 1 7 ARG HB3 H -3.629 -6.260 -3.074 1.00 . A A . 7 ARG HB3 1 1 3 551 1 1 7 ARG HD3 H -2.094 -8.746 -5.815 1.00 . A A . 7 ARG HD3 1 1 3 552 1 1 7 ARG HE H -1.126 -9.697 -3.407 1.00 . A A . 7 ARG HE 1 1 3 553 1 1 7 ARG HG3 H -1.196 -7.475 -3.713 1.00 . A A . 7 ARG HG3 1 1 3 554 1 1 7 ARG HH11 H -3.524 -10.775 -5.764 1.00 . A A . 7 ARG HH11 1 1 3 555 1 1 7 ARG HH12 H -3.260 -12.491 -5.428 1.00 . A A . 7 ARG HH12 1 1 3 556 1 1 7 ARG HH21 H -0.791 -11.911 -2.980 1.00 . A A . 7 ARG HH21 1 1 3 557 1 1 7 ARG HH22 H -1.718 -13.131 -3.860 1.00 . A A . 7 ARG HH22 1 1 3 558 1 1 7 ARG N N -3.506 -7.066 -0.527 1.00 . A A . 7 ARG N 1 1 3 559 1 1 7 ARG NE N -1.835 -9.918 -4.107 1.00 . A A . 7 ARG NE 1 1 3 560 1 1 7 ARG NH1 N -3.041 -11.511 -5.248 1.00 . A A . 7 ARG NH1 1 1 3 561 1 1 7 ARG NH2 N -1.496 -12.153 -3.677 1.00 . A A . 7 ARG NH2 1 1 3 562 1 1 7 ARG O O -0.204 -6.711 -1.415 1.00 . A A . 7 ARG O 1 1 3 563 1 1 8 CYS C C -0.011 -3.980 -0.080 1.00 . A A . 8 CYS C 1 1 3 564 1 1 8 CYS CA C -0.702 -3.983 -1.441 1.00 . A A . 8 CYS CA 1 1 3 565 1 1 8 CYS CB C -1.345 -2.620 -1.704 1.00 . A A . 8 CYS CB 1 1 3 566 1 1 8 CYS H H -2.692 -4.782 -1.577 1.00 . A A . 8 CYS H 1 1 3 567 1 1 8 CYS HA H 0.043 -4.179 -2.213 1.00 . A A . 8 CYS HA 1 1 3 568 1 1 8 CYS HB3 H -0.730 -1.843 -1.249 1.00 . A A . 8 CYS HB3 1 1 3 569 1 1 8 CYS N N -1.707 -5.038 -1.511 1.00 . A A . 8 CYS N 1 1 3 570 1 1 8 CYS O O 1.159 -3.618 0.031 1.00 . A A . 8 CYS O 1 1 3 571 1 1 8 CYS SG S -1.534 -2.215 -3.469 1.00 . A A . 8 CYS SG 1 1 3 572 1 1 9 ASN C C 0.861 -5.513 2.430 1.00 . A A . 9 ASN C 1 1 3 573 1 1 9 ASN CA C -0.205 -4.427 2.305 1.00 . A A . 9 ASN CA 1 1 3 574 1 1 9 ASN CB C -1.324 -4.677 3.316 1.00 . A A . 9 ASN CB 1 1 3 575 1 1 9 ASN CG C -1.077 -3.976 4.638 1.00 . A A . 9 ASN CG 1 1 3 576 1 1 9 ASN H H -1.712 -4.672 0.793 1.00 . A A . 9 ASN H 1 1 3 577 1 1 9 ASN HA H 0.252 -3.460 2.512 1.00 . A A . 9 ASN HA 1 1 3 578 1 1 9 ASN HB3 H -1.407 -5.747 3.502 1.00 . A A . 9 ASN HB3 1 1 3 579 1 1 9 ASN HD21 H -1.173 -2.185 3.708 1.00 . A A . 9 ASN HD21 1 1 3 580 1 1 9 ASN HD22 H -0.871 -2.150 5.480 1.00 . A A . 9 ASN HD22 1 1 3 581 1 1 9 ASN N N -0.746 -4.384 0.951 1.00 . A A . 9 ASN N 1 1 3 582 1 1 9 ASN ND2 N -1.037 -2.649 4.606 1.00 . A A . 9 ASN ND2 1 1 3 583 1 1 9 ASN O O 1.953 -5.268 2.943 1.00 . A A . 9 ASN O 1 1 3 584 1 1 9 ASN OD1 O -0.924 -4.621 5.676 1.00 . A A . 9 ASN OD1 1 1 3 585 1 1 10 TYR C C 2.564 -7.688 0.974 1.00 . A A . 10 TYR C 1 1 3 586 1 1 10 TYR CA C 1.463 -7.834 2.019 1.00 . A A . 10 TYR CA 1 1 3 587 1 1 10 TYR CB C 0.715 -9.152 1.808 1.00 . A A . 10 TYR CB 1 1 3 588 1 1 10 TYR CD1 C 1.920 -11.206 0.969 1.00 . A A . 10 TYR CD1 1 1 3 589 1 1 10 TYR CD2 C 2.038 -10.706 3.296 1.00 . A A . 10 TYR CD2 1 1 3 590 1 1 10 TYR CE1 C 2.703 -12.327 1.164 1.00 . A A . 10 TYR CE1 1 1 3 591 1 1 10 TYR CE2 C 2.823 -11.823 3.500 1.00 . A A . 10 TYR CE2 1 1 3 592 1 1 10 TYR CG C 1.574 -10.376 2.028 1.00 . A A . 10 TYR CG 1 1 3 593 1 1 10 TYR CZ C 3.153 -12.631 2.432 1.00 . A A . 10 TYR CZ 1 1 3 594 1 1 10 TYR H H -0.388 -6.848 1.545 1.00 . A A . 10 TYR H 1 1 3 595 1 1 10 TYR HA H 1.915 -7.840 3.010 1.00 . A A . 10 TYR HA 1 1 3 596 1 1 10 TYR HB3 H 0.336 -9.187 0.786 1.00 . A A . 10 TYR HB3 1 1 3 597 1 1 10 TYR HD1 H 1.566 -10.965 -0.023 1.00 . A A . 10 TYR HD1 1 1 3 598 1 1 10 TYR HD2 H 1.777 -10.070 4.130 1.00 . A A . 10 TYR HD2 1 1 3 599 1 1 10 TYR HE1 H 2.962 -12.960 0.328 1.00 . A A . 10 TYR HE1 1 1 3 600 1 1 10 TYR HE2 H 3.175 -12.062 4.493 1.00 . A A . 10 TYR HE2 1 1 3 601 1 1 10 TYR HH H 4.316 -13.719 3.534 1.00 . A A . 10 TYR HH 1 1 3 602 1 1 10 TYR N N 0.534 -6.711 1.959 1.00 . A A . 10 TYR N 1 1 3 603 1 1 10 TYR O O 3.696 -8.124 1.185 1.00 . A A . 10 TYR O 1 1 3 604 1 1 10 TYR OH O 3.933 -13.746 2.633 1.00 . A A . 10 TYR OH 1 1 3 605 1 1 11 ALA C C 4.149 -5.731 -0.895 1.00 . A A . 11 ALA C 1 1 3 606 1 1 11 ALA CA C 3.184 -6.863 -1.229 1.00 . A A . 11 ALA CA 1 1 3 607 1 1 11 ALA CB C 2.458 -6.573 -2.535 1.00 . A A . 11 ALA CB 1 1 3 608 1 1 11 ALA H H 1.268 -6.731 -0.265 1.00 . A A . 11 ALA H 1 1 3 609 1 1 11 ALA HA H 3.753 -7.784 -1.356 1.00 . A A . 11 ALA HA 1 1 3 610 1 1 11 ALA HB1 H 2.065 -5.556 -2.512 1.00 . A A . 11 ALA HB1 1 1 3 611 1 1 11 ALA HB2 H 3.154 -6.675 -3.367 1.00 . A A . 11 ALA HB2 1 1 3 612 1 1 11 ALA HB3 H 1.636 -7.279 -2.658 1.00 . A A . 11 ALA HB3 1 1 3 613 1 1 11 ALA N N 2.224 -7.070 -0.152 1.00 . A A . 11 ALA N 1 1 3 614 1 1 11 ALA O O 5.345 -5.818 -1.172 1.00 . A A . 11 ALA O 1 1 3 615 1 1 12 HIS C C 4.376 -3.270 1.578 1.00 . A A . 12 HIS C 1 1 3 616 1 1 12 HIS CA C 4.436 -3.515 0.073 1.00 . A A . 12 HIS CA 1 1 3 617 1 1 12 HIS CB C 3.981 -2.219 -0.601 1.00 . A A . 12 HIS CB 1 1 3 618 1 1 12 HIS CD2 C 2.182 -1.862 -2.434 1.00 . A A . 12 HIS CD2 1 1 3 619 1 1 12 HIS CE1 C 2.934 -3.304 -3.905 1.00 . A A . 12 HIS CE1 1 1 3 620 1 1 12 HIS CG C 3.292 -2.435 -1.913 1.00 . A A . 12 HIS CG 1 1 3 621 1 1 12 HIS H H 2.621 -4.655 -0.097 1.00 . A A . 12 HIS H 1 1 3 622 1 1 12 HIS HA H 5.467 -3.730 -0.207 1.00 . A A . 12 HIS HA 1 1 3 623 1 1 12 HIS HB3 H 4.851 -1.586 -0.778 1.00 . A A . 12 HIS HB3 1 1 3 624 1 1 12 HIS HD2 H 1.569 -1.107 -1.964 1.00 . A A . 12 HIS HD2 1 1 3 625 1 1 12 HIS HE1 H 3.036 -3.902 -4.798 1.00 . A A . 12 HIS HE1 1 1 3 626 1 1 12 HIS HE2 H 1.219 -2.188 -4.310 1.00 . A A . 12 HIS HE2 1 1 3 627 1 1 12 HIS N N 3.621 -4.666 -0.299 1.00 . A A . 12 HIS N 1 1 3 628 1 1 12 HIS ND1 N 3.739 -3.335 -2.857 1.00 . A A . 12 HIS ND1 1 1 3 629 1 1 12 HIS NE2 N 1.981 -2.420 -3.672 1.00 . A A . 12 HIS NE2 1 1 3 630 1 1 12 HIS O O 3.873 -2.249 2.045 1.00 . A A . 12 HIS O 1 1 3 631 1 1 13 PRO C C 5.880 -3.069 4.322 1.00 . A A . 13 PRO C 1 1 3 632 1 1 13 PRO CA C 4.920 -4.140 3.818 1.00 . A A . 13 PRO CA 1 1 3 633 1 1 13 PRO CB C 5.394 -5.529 4.251 1.00 . A A . 13 PRO CB 1 1 3 634 1 1 13 PRO CD C 5.518 -5.473 1.865 1.00 . A A . 13 PRO CD 1 1 3 635 1 1 13 PRO CG C 6.176 -6.042 3.092 1.00 . A A . 13 PRO CG 1 1 3 636 1 1 13 PRO HA H 3.923 -3.952 4.220 1.00 . A A . 13 PRO HA 1 1 3 637 1 1 13 PRO HB3 H 4.531 -6.162 4.461 1.00 . A A . 13 PRO HB3 1 1 3 638 1 1 13 PRO HD3 H 4.762 -6.158 1.485 1.00 . A A . 13 PRO HD3 1 1 3 639 1 1 13 PRO HG3 H 6.135 -7.131 3.071 1.00 . A A . 13 PRO HG3 1 1 3 640 1 1 13 PRO N N 4.901 -4.229 2.355 1.00 . A A . 13 PRO N 1 1 3 641 1 1 13 PRO O O 5.629 -2.425 5.340 1.00 . A A . 13 PRO O 1 1 3 642 1 1 14 ALA C C 7.350 -0.504 4.108 1.00 . A A . 14 ALA C 1 1 3 643 1 1 14 ALA CA C 7.979 -1.886 3.976 1.00 . A A . 14 ALA CA 1 1 3 644 1 1 14 ALA CB C 9.106 -1.860 2.954 1.00 . A A . 14 ALA CB 1 1 3 645 1 1 14 ALA H H 7.132 -3.449 2.767 1.00 . A A . 14 ALA H 1 1 3 646 1 1 14 ALA HA H 8.401 -2.177 4.938 1.00 . A A . 14 ALA HA 1 1 3 647 1 1 14 ALA HB1 H 9.093 -0.907 2.424 1.00 . A A . 14 ALA HB1 1 1 3 648 1 1 14 ALA HB2 H 10.062 -1.979 3.465 1.00 . A A . 14 ALA HB2 1 1 3 649 1 1 14 ALA HB3 H 8.971 -2.674 2.243 1.00 . A A . 14 ALA HB3 1 1 3 650 1 1 14 ALA N N 6.981 -2.882 3.602 1.00 . A A . 14 ALA N 1 1 3 651 1 1 14 ALA O O 7.589 0.205 5.087 1.00 . A A . 14 ALA O 1 1 3 652 1 1 15 ILE C C 4.628 1.154 2.266 1.00 . A A . 15 ILE C 1 1 3 653 1 1 15 ILE CA C 5.886 1.173 3.127 1.00 . A A . 15 ILE CA 1 1 3 654 1 1 15 ILE CB C 6.823 2.286 2.623 1.00 . A A . 15 ILE CB 1 1 3 655 1 1 15 ILE CD1 C 7.877 2.915 0.393 1.00 . A A . 15 ILE CD1 1 1 3 656 1 1 15 ILE CG1 C 7.596 1.813 1.390 1.00 . A A . 15 ILE CG1 1 1 3 657 1 1 15 ILE CG2 C 7.782 2.712 3.725 1.00 . A A . 15 ILE CG2 1 1 3 658 1 1 15 ILE H H 6.392 -0.759 2.335 1.00 . A A . 15 ILE H 1 1 3 659 1 1 15 ILE HA H 5.605 1.401 4.156 1.00 . A A . 15 ILE HA 1 1 3 660 1 1 15 ILE HB H 6.214 3.148 2.352 1.00 . A A . 15 ILE HB 1 1 3 661 1 1 15 ILE HD11 H 7.493 2.629 -0.586 1.00 . A A . 15 ILE HD11 1 1 3 662 1 1 15 ILE HD12 H 7.392 3.835 0.720 1.00 . A A . 15 ILE HD12 1 1 3 663 1 1 15 ILE HD13 H 8.953 3.077 0.325 1.00 . A A . 15 ILE HD13 1 1 3 664 1 1 15 ILE HG13 H 7.017 1.041 0.883 1.00 . A A . 15 ILE HG13 1 1 3 665 1 1 15 ILE HG21 H 7.249 2.754 4.675 1.00 . A A . 15 ILE HG21 1 1 3 666 1 1 15 ILE HG22 H 8.594 1.989 3.798 1.00 . A A . 15 ILE HG22 1 1 3 667 1 1 15 ILE HG23 H 8.190 3.695 3.493 1.00 . A A . 15 ILE HG23 1 1 3 668 1 1 15 ILE N N 6.548 -0.125 3.119 1.00 . A A . 15 ILE N 1 1 3 669 1 1 15 ILE O O 4.666 0.756 1.102 1.00 . A A . 15 ILE O 1 1 3 670 1 1 16 CYS C C 2.186 2.815 1.179 1.00 . A A . 16 CYS C 1 1 3 671 1 1 16 CYS CA C 2.244 1.624 2.131 1.00 . A A . 16 CYS CA 1 1 3 672 1 1 16 CYS CB C 1.079 1.692 3.121 1.00 . A A . 16 CYS CB 1 1 3 673 1 1 16 CYS H H 3.550 1.906 3.813 1.00 . A A . 16 CYS H 1 1 3 674 1 1 16 CYS HA H 2.161 0.706 1.549 1.00 . A A . 16 CYS HA 1 1 3 675 1 1 16 CYS HB3 H 1.089 2.664 3.615 1.00 . A A . 16 CYS HB3 1 1 3 676 1 1 16 CYS N N 3.514 1.588 2.845 1.00 . A A . 16 CYS N 1 1 3 677 1 1 16 CYS O O 1.314 3.675 1.295 1.00 . A A . 16 CYS O 1 1 3 678 1 1 16 CYS SG S -0.560 1.472 2.359 1.00 . A A . 16 CYS SG 1 1 3 679 1 1 17 GLY C C 2.040 3.866 -1.736 1.00 . A A . 17 GLY C 1 1 3 680 1 1 17 GLY CA C 3.163 3.947 -0.721 1.00 . A A . 17 GLY CA 1 1 3 681 1 1 17 GLY H H 3.822 2.116 0.190 1.00 . A A . 17 GLY H 1 1 3 682 1 1 17 GLY HA2 H 3.087 4.892 -0.184 1.00 . A A . 17 GLY HA2 1 1 3 683 1 1 17 GLY HA3 H 4.115 3.917 -1.249 1.00 . A A . 17 GLY HA3 1 1 3 684 1 1 17 GLY N N 3.124 2.858 0.237 1.00 . A A . 17 GLY N 1 1 3 685 1 1 17 GLY O O 1.514 4.890 -2.173 1.00 . A A . 17 GLY O 1 1 3 686 1 1 18 GLY C C -0.668 3.179 -2.690 1.00 . A A . 18 GLY C 1 1 3 687 1 1 18 GLY CA C 0.607 2.460 -3.083 1.00 . A A . 18 GLY CA 1 1 3 688 1 1 18 GLY H H 2.145 1.835 -1.718 1.00 . A A . 18 GLY H 1 1 3 689 1 1 18 GLY HA2 H 0.941 2.835 -4.050 1.00 . A A . 18 GLY HA2 1 1 3 690 1 1 18 GLY HA3 H 0.396 1.394 -3.172 1.00 . A A . 18 GLY HA3 1 1 3 691 1 1 18 GLY N N 1.672 2.647 -2.114 1.00 . A A . 18 GLY N 1 1 3 692 1 1 18 GLY O O -1.479 3.532 -3.546 1.00 . A A . 18 GLY O 1 1 3 693 1 1 19 ALA C C -2.191 5.450 -1.531 1.00 . A A . 19 ALA C 1 1 3 694 1 1 19 ALA CA C -2.031 4.079 -0.886 1.00 . A A . 19 ALA CA 1 1 3 695 1 1 19 ALA CB C -1.960 4.210 0.628 1.00 . A A . 19 ALA CB 1 1 3 696 1 1 19 ALA H H -0.137 3.079 -0.732 1.00 . A A . 19 ALA H 1 1 3 697 1 1 19 ALA HA H -2.901 3.469 -1.133 1.00 . A A . 19 ALA HA 1 1 3 698 1 1 19 ALA HB1 H -0.987 3.862 0.976 1.00 . A A . 19 ALA HB1 1 1 3 699 1 1 19 ALA HB2 H -2.093 5.254 0.909 1.00 . A A . 19 ALA HB2 1 1 3 700 1 1 19 ALA HB3 H -2.747 3.608 1.083 1.00 . A A . 19 ALA HB3 1 1 3 701 1 1 19 ALA N N -0.847 3.396 -1.391 1.00 . A A . 19 ALA N 1 1 3 702 1 1 19 ALA O O -3.309 5.922 -1.741 1.00 . A A . 19 ALA O 1 1 3 703 1 1 20 ALA C C -1.914 7.397 -3.745 1.00 . A A . 20 ALA C 1 1 3 704 1 1 20 ALA CA C -1.083 7.405 -2.467 1.00 . A A . 20 ALA CA 1 1 3 705 1 1 20 ALA CB C 0.337 7.867 -2.760 1.00 . A A . 20 ALA CB 1 1 3 706 1 1 20 ALA H H -0.172 5.641 -1.644 1.00 . A A . 20 ALA H 1 1 3 707 1 1 20 ALA HA H -1.528 8.105 -1.761 1.00 . A A . 20 ALA HA 1 1 3 708 1 1 20 ALA HB1 H 0.808 8.197 -1.834 1.00 . A A . 20 ALA HB1 1 1 3 709 1 1 20 ALA HB2 H 0.906 7.041 -3.185 1.00 . A A . 20 ALA HB2 1 1 3 710 1 1 20 ALA HB3 H 0.310 8.694 -3.469 1.00 . A A . 20 ALA HB3 1 1 3 711 1 1 20 ALA N N -1.067 6.086 -1.844 1.00 . A A . 20 ALA N 1 1 3 712 1 1 20 ALA O O -2.672 8.329 -4.010 1.00 . A A . 20 ALA O 1 1 3 713 1 1 21 GLY C C -3.985 5.975 -5.552 1.00 . A A . 21 GLY C 1 1 3 714 1 1 21 GLY CA C -2.508 6.231 -5.779 1.00 . A A . 21 GLY CA 1 1 3 715 1 1 21 GLY H H -1.122 5.597 -4.264 1.00 . A A . 21 GLY H 1 1 3 716 1 1 21 GLY HA2 H -2.392 7.158 -6.340 1.00 . A A . 21 GLY HA2 1 1 3 717 1 1 21 GLY HA3 H -2.095 5.410 -6.365 1.00 . A A . 21 GLY HA3 1 1 3 718 1 1 21 GLY N N -1.766 6.339 -4.537 1.00 . A A . 21 GLY N 1 1 3 719 1 1 21 GLY O O -4.835 6.631 -6.152 1.00 . A A . 21 GLY O 1 1 3 720 1 1 22 GLY C C -5.832 3.924 -3.096 1.00 . A A . 22 GLY C 1 1 3 721 1 1 22 GLY CA C -5.675 4.692 -4.394 1.00 . A A . 22 GLY CA 1 1 3 722 1 1 22 GLY H H -3.541 4.509 -4.214 1.00 . A A . 22 GLY H 1 1 3 723 1 1 22 GLY HA2 H -6.247 5.617 -4.328 1.00 . A A . 22 GLY HA2 1 1 3 724 1 1 22 GLY HA3 H -6.072 4.089 -5.209 1.00 . A A . 22 GLY HA3 1 1 3 725 1 1 22 GLY N N -4.291 5.018 -4.682 1.00 . A A . 22 GLY N 1 1 3 726 1 1 22 GLY O O -5.366 4.365 -2.045 1.00 . A A . 22 GLY O 1 1 4 727 1 1 1 GLY C C -5.960 0.839 -1.825 1.00 . A A . 1 GLY C 1 1 4 728 1 1 1 GLY CA C -6.848 2.033 -2.110 1.00 . A A . 1 GLY CA 1 1 4 729 1 1 1 GLY H1 H -6.379 2.151 -4.012 1.00 . A A . 1 GLY H1 1 1 4 730 1 1 1 GLY HA2 H -6.870 2.676 -1.230 1.00 . A A . 1 GLY HA2 1 1 4 731 1 1 1 GLY HA3 H -7.859 1.681 -2.314 1.00 . A A . 1 GLY HA3 1 1 4 732 1 1 1 GLY N N -6.385 2.809 -3.246 1.00 . A A . 1 GLY N 1 1 4 733 1 1 1 GLY O O -6.449 -0.272 -1.617 1.00 . A A . 1 GLY O 1 1 4 734 1 1 2 CYS C C -3.706 -0.397 -0.080 1.00 . A A . 2 CYS C 1 1 4 735 1 1 2 CYS CA C -3.692 -0.001 -1.554 1.00 . A A . 2 CYS CA 1 1 4 736 1 1 2 CYS CB C -2.284 0.440 -1.961 1.00 . A A . 2 CYS CB 1 1 4 737 1 1 2 CYS H H -4.309 2.009 -1.992 1.00 . A A . 2 CYS H 1 1 4 738 1 1 2 CYS HA H -3.980 -0.865 -2.153 1.00 . A A . 2 CYS HA 1 1 4 739 1 1 2 CYS HB3 H -1.559 -0.014 -1.285 1.00 . A A . 2 CYS HB3 1 1 4 740 1 1 2 CYS N N -4.651 1.066 -1.814 1.00 . A A . 2 CYS N 1 1 4 741 1 1 2 CYS O O -3.696 -1.583 0.256 1.00 . A A . 2 CYS O 1 1 4 742 1 1 2 CYS SG S -1.823 -0.023 -3.661 1.00 . A A . 2 CYS SG 1 1 4 743 1 1 3 CYS C C -4.967 -0.461 2.633 1.00 . A A . 3 CYS C 1 1 4 744 1 1 3 CYS CA C -3.743 0.358 2.233 1.00 . A A . 3 CYS CA 1 1 4 745 1 1 3 CYS CB C -3.732 1.686 2.996 1.00 . A A . 3 CYS CB 1 1 4 746 1 1 3 CYS H H -3.734 1.562 0.454 1.00 . A A . 3 CYS H 1 1 4 747 1 1 3 CYS HA H -2.844 -0.204 2.489 1.00 . A A . 3 CYS HA 1 1 4 748 1 1 3 CYS HB3 H -4.273 1.561 3.934 1.00 . A A . 3 CYS HB3 1 1 4 749 1 1 3 CYS N N -3.728 0.602 0.796 1.00 . A A . 3 CYS N 1 1 4 750 1 1 3 CYS O O -4.907 -1.273 3.557 1.00 . A A . 3 CYS O 1 1 4 751 1 1 3 CYS SG S -2.065 2.301 3.392 1.00 . A A . 3 CYS SG 1 1 4 752 1 1 4 SER C C -7.231 -2.401 1.724 1.00 . A A . 4 SER C 1 1 4 753 1 1 4 SER CA C -7.313 -0.958 2.215 1.00 . A A . 4 SER CA 1 1 4 754 1 1 4 SER CB C -8.497 -0.249 1.558 1.00 . A A . 4 SER CB 1 1 4 755 1 1 4 SER H H -6.057 0.445 1.178 1.00 . A A . 4 SER H 1 1 4 756 1 1 4 SER HA H -7.456 -0.962 3.296 1.00 . A A . 4 SER HA 1 1 4 757 1 1 4 SER HB3 H -8.752 -0.758 0.629 1.00 . A A . 4 SER HB3 1 1 4 758 1 1 4 SER HG H -10.375 0.205 1.966 1.00 . A A . 4 SER HG 1 1 4 759 1 1 4 SER N N -6.074 -0.242 1.932 1.00 . A A . 4 SER N 1 1 4 760 1 1 4 SER O O -7.795 -3.308 2.336 1.00 . A A . 4 SER O 1 1 4 761 1 1 4 SER OG O -9.631 -0.255 2.408 1.00 . A A . 4 SER OG 1 1 4 762 1 1 5 ASP C C -5.173 -4.653 0.656 1.00 . A A . 5 ASP C 1 1 4 763 1 1 5 ASP CA C -6.370 -3.933 0.043 1.00 . A A . 5 ASP CA 1 1 4 764 1 1 5 ASP CB C -6.203 -3.841 -1.475 1.00 . A A . 5 ASP CB 1 1 4 765 1 1 5 ASP CG C -6.757 -5.056 -2.194 1.00 . A A . 5 ASP CG 1 1 4 766 1 1 5 ASP H H -6.084 -1.806 0.157 1.00 . A A . 5 ASP H 1 1 4 767 1 1 5 ASP HA H -7.273 -4.502 0.266 1.00 . A A . 5 ASP HA 1 1 4 768 1 1 5 ASP HB3 H -5.142 -3.754 -1.711 1.00 . A A . 5 ASP HB3 1 1 4 769 1 1 5 ASP N N -6.527 -2.602 0.617 1.00 . A A . 5 ASP N 1 1 4 770 1 1 5 ASP O O -4.113 -4.068 0.877 1.00 . A A . 5 ASP O 1 1 4 771 1 1 5 ASP OD1 O -5.977 -5.742 -2.888 1.00 . A A . 5 ASP OD1 1 1 4 772 1 1 5 ASP OD2 O -7.970 -5.320 -2.061 1.00 . A A . 5 ASP OD2 1 1 4 773 1 1 6 PRO C C -3.145 -7.043 0.562 1.00 . A A . 6 PRO C 1 1 4 774 1 1 6 PRO CA C -4.291 -6.779 1.534 1.00 . A A . 6 PRO CA 1 1 4 775 1 1 6 PRO CB C -5.013 -8.085 1.876 1.00 . A A . 6 PRO CB 1 1 4 776 1 1 6 PRO CD C -6.582 -6.715 0.704 1.00 . A A . 6 PRO CD 1 1 4 777 1 1 6 PRO CG C -6.162 -8.141 0.929 1.00 . A A . 6 PRO CG 1 1 4 778 1 1 6 PRO HA H -3.896 -6.330 2.446 1.00 . A A . 6 PRO HA 1 1 4 779 1 1 6 PRO HB3 H -5.351 -8.058 2.912 1.00 . A A . 6 PRO HB3 1 1 4 780 1 1 6 PRO HD3 H -7.357 -6.429 1.416 1.00 . A A . 6 PRO HD3 1 1 4 781 1 1 6 PRO HG3 H -6.979 -8.710 1.371 1.00 . A A . 6 PRO HG3 1 1 4 782 1 1 6 PRO N N -5.346 -5.952 0.941 1.00 . A A . 6 PRO N 1 1 4 783 1 1 6 PRO O O -2.008 -7.269 0.975 1.00 . A A . 6 PRO O 1 1 4 784 1 1 7 ARG C C -1.304 -6.246 -1.644 1.00 . A A . 7 ARG C 1 1 4 785 1 1 7 ARG CA C -2.449 -7.248 -1.761 1.00 . A A . 7 ARG CA 1 1 4 786 1 1 7 ARG CB C -3.081 -7.155 -3.150 1.00 . A A . 7 ARG CB 1 1 4 787 1 1 7 ARG CD C -3.197 -9.605 -3.701 1.00 . A A . 7 ARG CD 1 1 4 788 1 1 7 ARG CG C -2.629 -8.252 -4.100 1.00 . A A . 7 ARG CG 1 1 4 789 1 1 7 ARG CZ C -2.338 -11.739 -2.836 1.00 . A A . 7 ARG CZ 1 1 4 790 1 1 7 ARG H H -4.415 -6.818 -1.009 1.00 . A A . 7 ARG H 1 1 4 791 1 1 7 ARG HA H -2.052 -8.253 -1.617 1.00 . A A . 7 ARG HA 1 1 4 792 1 1 7 ARG HB3 H -2.821 -6.193 -3.591 1.00 . A A . 7 ARG HB3 1 1 4 793 1 1 7 ARG HD3 H -3.521 -10.127 -4.601 1.00 . A A . 7 ARG HD3 1 1 4 794 1 1 7 ARG HE H -1.389 -9.961 -2.625 1.00 . A A . 7 ARG HE 1 1 4 795 1 1 7 ARG HG3 H -1.541 -8.306 -4.085 1.00 . A A . 7 ARG HG3 1 1 4 796 1 1 7 ARG HH11 H -4.121 -11.854 -3.815 1.00 . A A . 7 ARG HH11 1 1 4 797 1 1 7 ARG HH12 H -3.491 -13.382 -3.189 1.00 . A A . 7 ARG HH12 1 1 4 798 1 1 7 ARG HH21 H -0.582 -11.935 -1.820 1.00 . A A . 7 ARG HH21 1 1 4 799 1 1 7 ARG HH22 H -1.497 -13.427 -2.062 1.00 . A A . 7 ARG HH22 1 1 4 800 1 1 7 ARG N N -3.453 -7.012 -0.730 1.00 . A A . 7 ARG N 1 1 4 801 1 1 7 ARG NE N -2.213 -10.428 -3.002 1.00 . A A . 7 ARG NE 1 1 4 802 1 1 7 ARG NH1 N -3.399 -12.374 -3.317 1.00 . A A . 7 ARG NH1 1 1 4 803 1 1 7 ARG NH2 N -1.400 -12.420 -2.190 1.00 . A A . 7 ARG NH2 1 1 4 804 1 1 7 ARG O O -0.137 -6.628 -1.549 1.00 . A A . 7 ARG O 1 1 4 805 1 1 8 CYS C C 0.017 -3.917 -0.173 1.00 . A A . 8 CYS C 1 1 4 806 1 1 8 CYS CA C -0.646 -3.905 -1.547 1.00 . A A . 8 CYS CA 1 1 4 807 1 1 8 CYS CB C -1.291 -2.540 -1.802 1.00 . A A . 8 CYS CB 1 1 4 808 1 1 8 CYS H H -2.630 -4.709 -1.730 1.00 . A A . 8 CYS H 1 1 4 809 1 1 8 CYS HA H 0.114 -4.084 -2.307 1.00 . A A . 8 CYS HA 1 1 4 810 1 1 8 CYS HB3 H -0.686 -1.767 -1.327 1.00 . A A . 8 CYS HB3 1 1 4 811 1 1 8 CYS N N -1.644 -4.962 -1.651 1.00 . A A . 8 CYS N 1 1 4 812 1 1 8 CYS O O 1.185 -3.554 -0.034 1.00 . A A . 8 CYS O 1 1 4 813 1 1 8 CYS SG S -1.454 -2.113 -3.566 1.00 . A A . 8 CYS SG 1 1 4 814 1 1 9 ASN C C 0.846 -5.481 2.333 1.00 . A A . 9 ASN C 1 1 4 815 1 1 9 ASN CA C -0.219 -4.398 2.202 1.00 . A A . 9 ASN CA 1 1 4 816 1 1 9 ASN CB C -1.358 -4.664 3.188 1.00 . A A . 9 ASN CB 1 1 4 817 1 1 9 ASN CG C -0.954 -4.390 4.624 1.00 . A A . 9 ASN CG 1 1 4 818 1 1 9 ASN H H -1.697 -4.626 0.657 1.00 . A A . 9 ASN H 1 1 4 819 1 1 9 ASN HA H 0.230 -3.432 2.432 1.00 . A A . 9 ASN HA 1 1 4 820 1 1 9 ASN HB3 H -1.665 -5.708 3.108 1.00 . A A . 9 ASN HB3 1 1 4 821 1 1 9 ASN HD21 H -0.730 -2.430 4.189 1.00 . A A . 9 ASN HD21 1 1 4 822 1 1 9 ASN HD22 H -0.391 -2.918 5.886 1.00 . A A . 9 ASN HD22 1 1 4 823 1 1 9 ASN N N -0.735 -4.338 0.839 1.00 . A A . 9 ASN N 1 1 4 824 1 1 9 ASN ND2 N -0.666 -3.130 4.927 1.00 . A A . 9 ASN ND2 1 1 4 825 1 1 9 ASN O O 1.927 -5.241 2.871 1.00 . A A . 9 ASN O 1 1 4 826 1 1 9 ASN OD1 O -0.904 -5.301 5.451 1.00 . A A . 9 ASN OD1 1 1 4 827 1 1 10 TYR C C 2.586 -7.630 0.881 1.00 . A A . 10 TYR C 1 1 4 828 1 1 10 TYR CA C 1.464 -7.795 1.901 1.00 . A A . 10 TYR CA 1 1 4 829 1 1 10 TYR CB C 0.725 -9.111 1.655 1.00 . A A . 10 TYR CB 1 1 4 830 1 1 10 TYR CD1 C 1.608 -11.184 0.513 1.00 . A A . 10 TYR CD1 1 1 4 831 1 1 10 TYR CD2 C 2.527 -10.588 2.630 1.00 . A A . 10 TYR CD2 1 1 4 832 1 1 10 TYR CE1 C 2.440 -12.285 0.457 1.00 . A A . 10 TYR CE1 1 1 4 833 1 1 10 TYR CE2 C 3.363 -11.686 2.582 1.00 . A A . 10 TYR CE2 1 1 4 834 1 1 10 TYR CG C 1.637 -10.316 1.598 1.00 . A A . 10 TYR CG 1 1 4 835 1 1 10 TYR CZ C 3.315 -12.532 1.494 1.00 . A A . 10 TYR CZ 1 1 4 836 1 1 10 TYR H H -0.379 -6.809 1.404 1.00 . A A . 10 TYR H 1 1 4 837 1 1 10 TYR HA H 1.897 -7.815 2.901 1.00 . A A . 10 TYR HA 1 1 4 838 1 1 10 TYR HB3 H 0.193 -9.049 0.705 1.00 . A A . 10 TYR HB3 1 1 4 839 1 1 10 TYR HD1 H 0.922 -10.987 -0.298 1.00 . A A . 10 TYR HD1 1 1 4 840 1 1 10 TYR HD2 H 2.562 -9.923 3.481 1.00 . A A . 10 TYR HD2 1 1 4 841 1 1 10 TYR HE1 H 2.403 -12.947 -0.395 1.00 . A A . 10 TYR HE1 1 1 4 842 1 1 10 TYR HE2 H 4.048 -11.881 3.394 1.00 . A A . 10 TYR HE2 1 1 4 843 1 1 10 TYR HH H 4.852 -13.535 2.113 1.00 . A A . 10 TYR HH 1 1 4 844 1 1 10 TYR N N 0.534 -6.674 1.837 1.00 . A A . 10 TYR N 1 1 4 845 1 1 10 TYR O O 3.715 -8.065 1.108 1.00 . A A . 10 TYR O 1 1 4 846 1 1 10 TYR OH O 4.144 -13.630 1.443 1.00 . A A . 10 TYR OH 1 1 4 847 1 1 11 ALA C C 4.200 -5.641 -0.929 1.00 . A A . 11 ALA C 1 1 4 848 1 1 11 ALA CA C 3.248 -6.773 -1.298 1.00 . A A . 11 ALA CA 1 1 4 849 1 1 11 ALA CB C 2.547 -6.468 -2.614 1.00 . A A . 11 ALA CB 1 1 4 850 1 1 11 ALA H H 1.313 -6.661 -0.372 1.00 . A A . 11 ALA H 1 1 4 851 1 1 11 ALA HA H 3.823 -7.690 -1.426 1.00 . A A . 11 ALA HA 1 1 4 852 1 1 11 ALA HB1 H 3.261 -6.559 -3.433 1.00 . A A . 11 ALA HB1 1 1 4 853 1 1 11 ALA HB2 H 1.730 -7.173 -2.763 1.00 . A A . 11 ALA HB2 1 1 4 854 1 1 11 ALA HB3 H 2.151 -5.453 -2.588 1.00 . A A . 11 ALA HB3 1 1 4 855 1 1 11 ALA N N 2.267 -6.998 -0.244 1.00 . A A . 11 ALA N 1 1 4 856 1 1 11 ALA O O 5.403 -5.719 -1.183 1.00 . A A . 11 ALA O 1 1 4 857 1 1 12 HIS C C 4.368 -3.216 1.582 1.00 . A A . 12 HIS C 1 1 4 858 1 1 12 HIS CA C 4.458 -3.438 0.076 1.00 . A A . 12 HIS CA 1 1 4 859 1 1 12 HIS CB C 4.011 -2.135 -0.588 1.00 . A A . 12 HIS CB 1 1 4 860 1 1 12 HIS CD2 C 2.243 -1.761 -2.447 1.00 . A A . 12 HIS CD2 1 1 4 861 1 1 12 HIS CE1 C 3.029 -3.176 -3.927 1.00 . A A . 12 HIS CE1 1 1 4 862 1 1 12 HIS CG C 3.348 -2.335 -1.916 1.00 . A A . 12 HIS CG 1 1 4 863 1 1 12 HIS H H 2.653 -4.583 -0.146 1.00 . A A . 12 HIS H 1 1 4 864 1 1 12 HIS HA H 5.495 -3.644 -0.187 1.00 . A A . 12 HIS HA 1 1 4 865 1 1 12 HIS HB3 H 4.881 -1.496 -0.741 1.00 . A A . 12 HIS HB3 1 1 4 866 1 1 12 HIS HD2 H 1.616 -1.017 -1.977 1.00 . A A . 12 HIS HD2 1 1 4 867 1 1 12 HIS HE1 H 3.151 -3.759 -4.828 1.00 . A A . 12 HIS HE1 1 1 4 868 1 1 12 HIS HE2 H 1.315 -2.062 -4.346 1.00 . A A . 12 HIS HE2 1 1 4 869 1 1 12 HIS N N 3.656 -4.587 -0.328 1.00 . A A . 12 HIS N 1 1 4 870 1 1 12 HIS ND1 N 3.815 -3.217 -2.866 1.00 . A A . 12 HIS ND1 1 1 4 871 1 1 12 HIS NE2 N 2.067 -2.300 -3.698 1.00 . A A . 12 HIS NE2 1 1 4 872 1 1 12 HIS O O 3.851 -2.203 2.055 1.00 . A A . 12 HIS O 1 1 4 873 1 1 13 PRO C C 5.818 -3.046 4.358 1.00 . A A . 13 PRO C 1 1 4 874 1 1 13 PRO CA C 4.873 -4.116 3.820 1.00 . A A . 13 PRO CA 1 1 4 875 1 1 13 PRO CB C 5.344 -5.509 4.243 1.00 . A A . 13 PRO CB 1 1 4 876 1 1 13 PRO CD C 5.515 -5.417 1.861 1.00 . A A . 13 PRO CD 1 1 4 877 1 1 13 PRO CG C 6.152 -6.001 3.091 1.00 . A A . 13 PRO CG 1 1 4 878 1 1 13 PRO HA H 3.868 -3.938 4.206 1.00 . A A . 13 PRO HA 1 1 4 879 1 1 13 PRO HB3 H 4.482 -6.149 4.426 1.00 . A A . 13 PRO HB3 1 1 4 880 1 1 13 PRO HD3 H 4.769 -6.101 1.456 1.00 . A A . 13 PRO HD3 1 1 4 881 1 1 13 PRO HG3 H 6.117 -7.089 3.054 1.00 . A A . 13 PRO HG3 1 1 4 882 1 1 13 PRO N N 4.883 -4.183 2.356 1.00 . A A . 13 PRO N 1 1 4 883 1 1 13 PRO O O 5.543 -2.419 5.380 1.00 . A A . 13 PRO O 1 1 4 884 1 1 14 ALA C C 7.280 -0.473 4.210 1.00 . A A . 14 ALA C 1 1 4 885 1 1 14 ALA CA C 7.917 -1.850 4.070 1.00 . A A . 14 ALA CA 1 1 4 886 1 1 14 ALA CB C 9.065 -1.804 3.071 1.00 . A A . 14 ALA CB 1 1 4 887 1 1 14 ALA H H 7.102 -3.399 2.823 1.00 . A A . 14 ALA H 1 1 4 888 1 1 14 ALA HA H 8.321 -2.152 5.036 1.00 . A A . 14 ALA HA 1 1 4 889 1 1 14 ALA HB1 H 8.669 -1.614 2.073 1.00 . A A . 14 ALA HB1 1 1 4 890 1 1 14 ALA HB2 H 9.755 -1.007 3.348 1.00 . A A . 14 ALA HB2 1 1 4 891 1 1 14 ALA HB3 H 9.589 -2.761 3.077 1.00 . A A . 14 ALA HB3 1 1 4 892 1 1 14 ALA N N 6.933 -2.845 3.663 1.00 . A A . 14 ALA N 1 1 4 893 1 1 14 ALA O O 7.496 0.224 5.203 1.00 . A A . 14 ALA O 1 1 4 894 1 1 15 ILE C C 4.585 1.198 2.337 1.00 . A A . 15 ILE C 1 1 4 895 1 1 15 ILE CA C 5.827 1.211 3.223 1.00 . A A . 15 ILE CA 1 1 4 896 1 1 15 ILE CB C 6.768 2.335 2.753 1.00 . A A . 15 ILE CB 1 1 4 897 1 1 15 ILE CD1 C 7.972 3.017 0.616 1.00 . A A . 15 ILE CD1 1 1 4 898 1 1 15 ILE CG1 C 7.569 1.882 1.530 1.00 . A A . 15 ILE CG1 1 1 4 899 1 1 15 ILE CG2 C 7.702 2.751 3.880 1.00 . A A . 15 ILE CG2 1 1 4 900 1 1 15 ILE H H 6.357 -0.708 2.416 1.00 . A A . 15 ILE H 1 1 4 901 1 1 15 ILE HA H 5.526 1.423 4.250 1.00 . A A . 15 ILE HA 1 1 4 902 1 1 15 ILE HB H 6.160 3.198 2.480 1.00 . A A . 15 ILE HB 1 1 4 903 1 1 15 ILE HD11 H 7.091 3.399 0.099 1.00 . A A . 15 ILE HD11 1 1 4 904 1 1 15 ILE HD12 H 8.425 3.816 1.204 1.00 . A A . 15 ILE HD12 1 1 4 905 1 1 15 ILE HD13 H 8.693 2.654 -0.117 1.00 . A A . 15 ILE HD13 1 1 4 906 1 1 15 ILE HG13 H 6.967 1.182 0.950 1.00 . A A . 15 ILE HG13 1 1 4 907 1 1 15 ILE HG21 H 7.931 3.813 3.788 1.00 . A A . 15 ILE HG21 1 1 4 908 1 1 15 ILE HG22 H 7.218 2.567 4.838 1.00 . A A . 15 ILE HG22 1 1 4 909 1 1 15 ILE HG23 H 8.624 2.173 3.820 1.00 . A A . 15 ILE HG23 1 1 4 910 1 1 15 ILE N N 6.495 -0.084 3.211 1.00 . A A . 15 ILE N 1 1 4 911 1 1 15 ILE O O 4.648 0.816 1.168 1.00 . A A . 15 ILE O 1 1 4 912 1 1 16 CYS C C 2.158 2.864 1.227 1.00 . A A . 16 CYS C 1 1 4 913 1 1 16 CYS CA C 2.202 1.659 2.163 1.00 . A A . 16 CYS CA 1 1 4 914 1 1 16 CYS CB C 1.019 1.709 3.132 1.00 . A A . 16 CYS CB 1 1 4 915 1 1 16 CYS H H 3.473 1.925 3.874 1.00 . A A . 16 CYS H 1 1 4 916 1 1 16 CYS HA H 2.135 0.749 1.567 1.00 . A A . 16 CYS HA 1 1 4 917 1 1 16 CYS HB3 H 1.014 2.674 3.638 1.00 . A A . 16 CYS HB3 1 1 4 918 1 1 16 CYS N N 3.459 1.620 2.901 1.00 . A A . 16 CYS N 1 1 4 919 1 1 16 CYS O O 1.280 3.718 1.338 1.00 . A A . 16 CYS O 1 1 4 920 1 1 16 CYS SG S -0.604 1.492 2.334 1.00 . A A . 16 CYS SG 1 1 4 921 1 1 17 GLY C C 2.063 3.954 -1.677 1.00 . A A . 17 GLY C 1 1 4 922 1 1 17 GLY CA C 3.165 4.026 -0.639 1.00 . A A . 17 GLY CA 1 1 4 923 1 1 17 GLY H H 3.816 2.185 0.261 1.00 . A A . 17 GLY H 1 1 4 924 1 1 17 GLY HA2 H 3.074 4.964 -0.090 1.00 . A A . 17 GLY HA2 1 1 4 925 1 1 17 GLY HA3 H 4.129 4.009 -1.149 1.00 . A A . 17 GLY HA3 1 1 4 926 1 1 17 GLY N N 3.114 2.923 0.303 1.00 . A A . 17 GLY N 1 1 4 927 1 1 17 GLY O O 1.542 4.981 -2.110 1.00 . A A . 17 GLY O 1 1 4 928 1 1 18 GLY C C -0.623 3.268 -2.691 1.00 . A A . 18 GLY C 1 1 4 929 1 1 18 GLY CA C 0.663 2.559 -3.069 1.00 . A A . 18 GLY CA 1 1 4 930 1 1 18 GLY H H 2.175 1.923 -1.680 1.00 . A A . 18 GLY H 1 1 4 931 1 1 18 GLY HA2 H 1.013 2.950 -4.024 1.00 . A A . 18 GLY HA2 1 1 4 932 1 1 18 GLY HA3 H 0.458 1.494 -3.176 1.00 . A A . 18 GLY HA3 1 1 4 933 1 1 18 GLY N N 1.707 2.738 -2.077 1.00 . A A . 18 GLY N 1 1 4 934 1 1 18 GLY O O -1.419 3.627 -3.556 1.00 . A A . 18 GLY O 1 1 4 935 1 1 19 ALA C C -2.182 5.516 -1.533 1.00 . A A . 19 ALA C 1 1 4 936 1 1 19 ALA CA C -2.025 4.137 -0.901 1.00 . A A . 19 ALA CA 1 1 4 937 1 1 19 ALA CB C -1.981 4.252 0.615 1.00 . A A . 19 ALA CB 1 1 4 938 1 1 19 ALA H H -0.127 3.146 -0.723 1.00 . A A . 19 ALA H 1 1 4 939 1 1 19 ALA HA H -2.887 3.526 -1.170 1.00 . A A . 19 ALA HA 1 1 4 940 1 1 19 ALA HB1 H -2.777 3.646 1.047 1.00 . A A . 19 ALA HB1 1 1 4 941 1 1 19 ALA HB2 H -1.016 3.898 0.978 1.00 . A A . 19 ALA HB2 1 1 4 942 1 1 19 ALA HB3 H -2.120 5.293 0.905 1.00 . A A . 19 ALA HB3 1 1 4 943 1 1 19 ALA N N -0.827 3.467 -1.392 1.00 . A A . 19 ALA N 1 1 4 944 1 1 19 ALA O O -3.297 5.983 -1.760 1.00 . A A . 19 ALA O 1 1 4 945 1 1 20 ALA C C -1.871 7.492 -3.719 1.00 . A A . 20 ALA C 1 1 4 946 1 1 20 ALA CA C -1.067 7.489 -2.423 1.00 . A A . 20 ALA CA 1 1 4 947 1 1 20 ALA CB C 0.355 7.964 -2.681 1.00 . A A . 20 ALA CB 1 1 4 948 1 1 20 ALA H H -0.160 5.721 -1.604 1.00 . A A . 20 ALA H 1 1 4 949 1 1 20 ALA HA H -1.531 8.178 -1.718 1.00 . A A . 20 ALA HA 1 1 4 950 1 1 20 ALA HB1 H 0.611 7.790 -3.727 1.00 . A A . 20 ALA HB1 1 1 4 951 1 1 20 ALA HB2 H 0.428 9.028 -2.459 1.00 . A A . 20 ALA HB2 1 1 4 952 1 1 20 ALA HB3 H 1.043 7.411 -2.042 1.00 . A A . 20 ALA HB3 1 1 4 953 1 1 20 ALA N N -1.055 6.163 -1.816 1.00 . A A . 20 ALA N 1 1 4 954 1 1 20 ALA O O -2.626 8.424 -3.991 1.00 . A A . 20 ALA O 1 1 4 955 1 1 21 GLY C C -3.901 6.081 -5.580 1.00 . A A . 21 GLY C 1 1 4 956 1 1 21 GLY CA C -2.420 6.342 -5.774 1.00 . A A . 21 GLY CA 1 1 4 957 1 1 21 GLY H H -1.064 5.697 -4.236 1.00 . A A . 21 GLY H 1 1 4 958 1 1 21 GLY HA2 H -2.295 7.274 -6.325 1.00 . A A . 21 GLY HA2 1 1 4 959 1 1 21 GLY HA3 H -1.994 5.528 -6.360 1.00 . A A . 21 GLY HA3 1 1 4 960 1 1 21 GLY N N -1.704 6.441 -4.516 1.00 . A A . 21 GLY N 1 1 4 961 1 1 21 GLY O O -4.740 6.726 -6.208 1.00 . A A . 21 GLY O 1 1 4 962 1 1 22 GLY C C -5.792 4.007 -3.171 1.00 . A A . 22 GLY C 1 1 4 963 1 1 22 GLY CA C -5.612 4.802 -4.449 1.00 . A A . 22 GLY CA 1 1 4 964 1 1 22 GLY H H -3.482 4.631 -4.216 1.00 . A A . 22 GLY H 1 1 4 965 1 1 22 GLY HA2 H -6.186 5.726 -4.374 1.00 . A A . 22 GLY HA2 1 1 4 966 1 1 22 GLY HA3 H -5.997 4.216 -5.283 1.00 . A A . 22 GLY HA3 1 1 4 967 1 1 22 GLY N N -4.223 5.131 -4.707 1.00 . A A . 22 GLY N 1 1 4 968 1 1 22 GLY O O -5.352 4.431 -2.102 1.00 . A A . 22 GLY O 1 1 5 969 1 1 1 GLY C C -6.055 0.786 -1.648 1.00 . A A . 1 GLY C 1 1 5 970 1 1 1 GLY CA C -6.934 1.987 -1.938 1.00 . A A . 1 GLY CA 1 1 5 971 1 1 1 GLY H1 H -6.519 2.051 -3.855 1.00 . A A . 1 GLY H1 1 1 5 972 1 1 1 GLY HA2 H -6.921 2.651 -1.073 1.00 . A A . 1 GLY HA2 1 1 5 973 1 1 1 GLY HA3 H -7.955 1.644 -2.104 1.00 . A A . 1 GLY HA3 1 1 5 974 1 1 1 GLY N N -6.494 2.728 -3.105 1.00 . A A . 1 GLY N 1 1 5 975 1 1 1 GLY O O -6.555 -0.312 -1.399 1.00 . A A . 1 GLY O 1 1 5 976 1 1 2 CYS C C -3.769 -0.441 0.060 1.00 . A A . 2 CYS C 1 1 5 977 1 1 2 CYS CA C -3.793 -0.081 -1.423 1.00 . A A . 2 CYS CA 1 1 5 978 1 1 2 CYS CB C -2.392 0.327 -1.882 1.00 . A A . 2 CYS CB 1 1 5 979 1 1 2 CYS H H -4.392 1.927 -1.893 1.00 . A A . 2 CYS H 1 1 5 980 1 1 2 CYS HA H -4.111 -0.955 -1.990 1.00 . A A . 2 CYS HA 1 1 5 981 1 1 2 CYS HB3 H -1.654 -0.121 -1.216 1.00 . A A . 2 CYS HB3 1 1 5 982 1 1 2 CYS N N -4.744 0.993 -1.681 1.00 . A A . 2 CYS N 1 1 5 983 1 1 2 CYS O O -3.767 -1.617 0.425 1.00 . A A . 2 CYS O 1 1 5 984 1 1 2 CYS SG S -1.988 -0.186 -3.583 1.00 . A A . 2 CYS SG 1 1 5 985 1 1 3 CYS C C -4.949 -0.418 2.811 1.00 . A A . 3 CYS C 1 1 5 986 1 1 3 CYS CA C -3.727 0.373 2.354 1.00 . A A . 3 CYS CA 1 1 5 987 1 1 3 CYS CB C -3.674 1.718 3.082 1.00 . A A . 3 CYS CB 1 1 5 988 1 1 3 CYS H H -3.752 1.532 0.545 1.00 . A A . 3 CYS H 1 1 5 989 1 1 3 CYS HA H -2.830 -0.198 2.596 1.00 . A A . 3 CYS HA 1 1 5 990 1 1 3 CYS HB3 H -4.189 1.624 4.038 1.00 . A A . 3 CYS HB3 1 1 5 991 1 1 3 CYS N N -3.751 0.580 0.911 1.00 . A A . 3 CYS N 1 1 5 992 1 1 3 CYS O O -4.875 -1.208 3.752 1.00 . A A . 3 CYS O 1 1 5 993 1 1 3 CYS SG S -1.987 2.318 3.414 1.00 . A A . 3 CYS SG 1 1 5 994 1 1 4 SER C C -7.269 -2.344 2.018 1.00 . A A . 4 SER C 1 1 5 995 1 1 4 SER CA C -7.314 -0.889 2.474 1.00 . A A . 4 SER CA 1 1 5 996 1 1 4 SER CB C -8.508 -0.178 1.835 1.00 . A A . 4 SER CB 1 1 5 997 1 1 4 SER H H -6.070 0.468 1.366 1.00 . A A . 4 SER H 1 1 5 998 1 1 4 SER HA H -7.425 -0.864 3.558 1.00 . A A . 4 SER HA 1 1 5 999 1 1 4 SER HB3 H -8.854 -0.756 0.978 1.00 . A A . 4 SER HB3 1 1 5 1000 1 1 4 SER HG H -10.326 0.414 2.322 1.00 . A A . 4 SER HG 1 1 5 1001 1 1 4 SER N N -6.074 -0.199 2.136 1.00 . A A . 4 SER N 1 1 5 1002 1 1 4 SER O O -7.827 -3.228 2.668 1.00 . A A . 4 SER O 1 1 5 1003 1 1 4 SER OG O -9.576 -0.045 2.756 1.00 . A A . 4 SER OG 1 1 5 1004 1 1 5 ASP C C -5.277 -4.653 0.947 1.00 . A A . 5 ASP C 1 1 5 1005 1 1 5 ASP CA C -6.480 -3.931 0.350 1.00 . A A . 5 ASP CA 1 1 5 1006 1 1 5 ASP CB C -6.356 -3.880 -1.173 1.00 . A A . 5 ASP CB 1 1 5 1007 1 1 5 ASP CG C -6.949 -5.102 -1.845 1.00 . A A . 5 ASP CG 1 1 5 1008 1 1 5 ASP H H -6.159 -1.807 0.403 1.00 . A A . 5 ASP H 1 1 5 1009 1 1 5 ASP HA H -7.384 -4.480 0.613 1.00 . A A . 5 ASP HA 1 1 5 1010 1 1 5 ASP HB3 H -5.302 -3.814 -1.444 1.00 . A A . 5 ASP HB3 1 1 5 1011 1 1 5 ASP N N -6.600 -2.584 0.895 1.00 . A A . 5 ASP N 1 1 5 1012 1 1 5 ASP O O -4.201 -4.079 1.122 1.00 . A A . 5 ASP O 1 1 5 1013 1 1 5 ASP OD1 O -8.155 -5.361 -1.648 1.00 . A A . 5 ASP OD1 1 1 5 1014 1 1 5 ASP OD2 O -6.208 -5.800 -2.569 1.00 . A A . 5 ASP OD2 1 1 5 1015 1 1 6 PRO C C -3.287 -7.076 0.854 1.00 . A A . 6 PRO C 1 1 5 1016 1 1 6 PRO CA C -4.399 -6.772 1.851 1.00 . A A . 6 PRO CA 1 1 5 1017 1 1 6 PRO CB C -5.130 -8.056 2.246 1.00 . A A . 6 PRO CB 1 1 5 1018 1 1 6 PRO CD C -6.714 -6.692 1.088 1.00 . A A . 6 PRO CD 1 1 5 1019 1 1 6 PRO CG C -6.308 -8.118 1.335 1.00 . A A . 6 PRO CG 1 1 5 1020 1 1 6 PRO HA H -3.972 -6.307 2.740 1.00 . A A . 6 PRO HA 1 1 5 1021 1 1 6 PRO HB3 H -5.438 -7.999 3.290 1.00 . A A . 6 PRO HB3 1 1 5 1022 1 1 6 PRO HD3 H -7.462 -6.377 1.815 1.00 . A A . 6 PRO HD3 1 1 5 1023 1 1 6 PRO HG3 H -7.120 -8.664 1.816 1.00 . A A . 6 PRO HG3 1 1 5 1024 1 1 6 PRO N N -5.459 -5.943 1.268 1.00 . A A . 6 PRO N 1 1 5 1025 1 1 6 PRO O O -2.141 -7.310 1.239 1.00 . A A . 6 PRO O 1 1 5 1026 1 1 7 ARG C C -1.500 -6.363 -1.424 1.00 . A A . 7 ARG C 1 1 5 1027 1 1 7 ARG CA C -2.662 -7.349 -1.483 1.00 . A A . 7 ARG CA 1 1 5 1028 1 1 7 ARG CB C -3.334 -7.281 -2.855 1.00 . A A . 7 ARG CB 1 1 5 1029 1 1 7 ARG CD C -1.596 -8.208 -4.416 1.00 . A A . 7 ARG CD 1 1 5 1030 1 1 7 ARG CG C -2.958 -8.430 -3.775 1.00 . A A . 7 ARG CG 1 1 5 1031 1 1 7 ARG CZ C -0.646 -10.473 -4.485 1.00 . A A . 7 ARG CZ 1 1 5 1032 1 1 7 ARG H H -4.599 -6.872 -0.685 1.00 . A A . 7 ARG H 1 1 5 1033 1 1 7 ARG HA H -2.277 -8.356 -1.326 1.00 . A A . 7 ARG HA 1 1 5 1034 1 1 7 ARG HB3 H -3.050 -6.347 -3.340 1.00 . A A . 7 ARG HB3 1 1 5 1035 1 1 7 ARG HD3 H -1.223 -7.230 -4.112 1.00 . A A . 7 ARG HD3 1 1 5 1036 1 1 7 ARG HE H 0.089 -8.964 -3.348 1.00 . A A . 7 ARG HE 1 1 5 1037 1 1 7 ARG HG3 H -3.710 -8.516 -4.560 1.00 . A A . 7 ARG HG3 1 1 5 1038 1 1 7 ARG HH11 H -2.272 -10.178 -5.675 1.00 . A A . 7 ARG HH11 1 1 5 1039 1 1 7 ARG HH12 H -1.577 -11.804 -5.715 1.00 . A A . 7 ARG HH12 1 1 5 1040 1 1 7 ARG HH21 H 0.979 -11.062 -3.404 1.00 . A A . 7 ARG HH21 1 1 5 1041 1 1 7 ARG HH22 H 0.255 -12.301 -4.434 1.00 . A A . 7 ARG HH22 1 1 5 1042 1 1 7 ARG N N -3.632 -7.072 -0.430 1.00 . A A . 7 ARG N 1 1 5 1043 1 1 7 ARG NE N -0.632 -9.230 -4.019 1.00 . A A . 7 ARG NE 1 1 5 1044 1 1 7 ARG NH1 N -1.571 -10.848 -5.359 1.00 . A A . 7 ARG NH1 1 1 5 1045 1 1 7 ARG NH2 N 0.266 -11.347 -4.076 1.00 . A A . 7 ARG NH2 1 1 5 1046 1 1 7 ARG O O -0.337 -6.760 -1.355 1.00 . A A . 7 ARG O 1 1 5 1047 1 1 8 CYS C C -0.103 -4.018 -0.050 1.00 . A A . 8 CYS C 1 1 5 1048 1 1 8 CYS CA C -0.806 -4.030 -1.405 1.00 . A A . 8 CYS CA 1 1 5 1049 1 1 8 CYS CB C -1.437 -2.662 -1.676 1.00 . A A . 8 CYS CB 1 1 5 1050 1 1 8 CYS H H -2.805 -4.808 -1.512 1.00 . A A . 8 CYS H 1 1 5 1051 1 1 8 CYS HA H -0.070 -4.242 -2.181 1.00 . A A . 8 CYS HA 1 1 5 1052 1 1 8 CYS HB3 H -0.805 -1.887 -1.242 1.00 . A A . 8 CYS HB3 1 1 5 1053 1 1 8 CYS N N -1.822 -5.074 -1.453 1.00 . A A . 8 CYS N 1 1 5 1054 1 1 8 CYS O O 1.073 -3.668 0.046 1.00 . A A . 8 CYS O 1 1 5 1055 1 1 8 CYS SG S -1.651 -2.279 -3.443 1.00 . A A . 8 CYS SG 1 1 5 1056 1 1 9 ASN C C 0.776 -5.532 2.469 1.00 . A A . 9 ASN C 1 1 5 1057 1 1 9 ASN CA C -0.277 -4.436 2.341 1.00 . A A . 9 ASN CA 1 1 5 1058 1 1 9 ASN CB C -1.391 -4.661 3.366 1.00 . A A . 9 ASN CB 1 1 5 1059 1 1 9 ASN CG C -1.721 -3.403 4.147 1.00 . A A . 9 ASN CG 1 1 5 1060 1 1 9 ASN H H -1.801 -4.681 0.846 1.00 . A A . 9 ASN H 1 1 5 1061 1 1 9 ASN HA H 0.193 -3.472 2.533 1.00 . A A . 9 ASN HA 1 1 5 1062 1 1 9 ASN HB3 H -1.079 -5.432 4.070 1.00 . A A . 9 ASN HB3 1 1 5 1063 1 1 9 ASN HD21 H 0.231 -3.183 4.619 1.00 . A A . 9 ASN HD21 1 1 5 1064 1 1 9 ASN HD22 H -0.892 -1.936 5.261 1.00 . A A . 9 ASN HD22 1 1 5 1065 1 1 9 ASN N N -0.831 -4.402 0.992 1.00 . A A . 9 ASN N 1 1 5 1066 1 1 9 ASN ND2 N -0.701 -2.784 4.729 1.00 . A A . 9 ASN ND2 1 1 5 1067 1 1 9 ASN O O 1.876 -5.295 2.970 1.00 . A A . 9 ASN O 1 1 5 1068 1 1 9 ASN OD1 O -2.879 -2.993 4.224 1.00 . A A . 9 ASN OD1 1 1 5 1069 1 1 10 TYR C C 2.443 -7.743 1.023 1.00 . A A . 10 TYR C 1 1 5 1070 1 1 10 TYR CA C 1.348 -7.865 2.078 1.00 . A A . 10 TYR CA 1 1 5 1071 1 1 10 TYR CB C 0.583 -9.176 1.887 1.00 . A A . 10 TYR CB 1 1 5 1072 1 1 10 TYR CD1 C 1.353 -11.434 1.062 1.00 . A A . 10 TYR CD1 1 1 5 1073 1 1 10 TYR CD2 C 2.383 -10.541 3.016 1.00 . A A . 10 TYR CD2 1 1 5 1074 1 1 10 TYR CE1 C 2.148 -12.562 1.151 1.00 . A A . 10 TYR CE1 1 1 5 1075 1 1 10 TYR CE2 C 3.183 -11.663 3.114 1.00 . A A . 10 TYR CE2 1 1 5 1076 1 1 10 TYR CG C 1.457 -10.406 1.990 1.00 . A A . 10 TYR CG 1 1 5 1077 1 1 10 TYR CZ C 3.061 -12.670 2.179 1.00 . A A . 10 TYR CZ 1 1 5 1078 1 1 10 TYR H H -0.494 -6.864 1.610 1.00 . A A . 10 TYR H 1 1 5 1079 1 1 10 TYR HA H 1.810 -7.866 3.066 1.00 . A A . 10 TYR HA 1 1 5 1080 1 1 10 TYR HB3 H 0.118 -9.177 0.902 1.00 . A A . 10 TYR HB3 1 1 5 1081 1 1 10 TYR HD1 H 0.637 -11.347 0.259 1.00 . A A . 10 TYR HD1 1 1 5 1082 1 1 10 TYR HD2 H 2.476 -9.751 3.746 1.00 . A A . 10 TYR HD2 1 1 5 1083 1 1 10 TYR HE1 H 2.053 -13.350 0.419 1.00 . A A . 10 TYR HE1 1 1 5 1084 1 1 10 TYR HE2 H 3.898 -11.748 3.919 1.00 . A A . 10 TYR HE2 1 1 5 1085 1 1 10 TYR HH H 4.445 -13.709 3.051 1.00 . A A . 10 TYR HH 1 1 5 1086 1 1 10 TYR N N 0.433 -6.731 2.013 1.00 . A A . 10 TYR N 1 1 5 1087 1 1 10 TYR O O 3.571 -8.189 1.227 1.00 . A A . 10 TYR O 1 1 5 1088 1 1 10 TYR OH O 3.856 -13.790 2.273 1.00 . A A . 10 TYR OH 1 1 5 1089 1 1 11 ALA C C 4.031 -5.823 -0.883 1.00 . A A . 11 ALA C 1 1 5 1090 1 1 11 ALA CA C 3.052 -6.949 -1.196 1.00 . A A . 11 ALA CA 1 1 5 1091 1 1 11 ALA CB C 2.318 -6.666 -2.498 1.00 . A A . 11 ALA CB 1 1 5 1092 1 1 11 ALA H H 1.147 -6.785 -0.217 1.00 . A A . 11 ALA H 1 1 5 1093 1 1 11 ALA HA H 3.609 -7.878 -1.317 1.00 . A A . 11 ALA HA 1 1 5 1094 1 1 11 ALA HB1 H 3.005 -6.787 -3.335 1.00 . A A . 11 ALA HB1 1 1 5 1095 1 1 11 ALA HB2 H 1.488 -7.364 -2.605 1.00 . A A . 11 ALA HB2 1 1 5 1096 1 1 11 ALA HB3 H 1.935 -5.645 -2.484 1.00 . A A . 11 ALA HB3 1 1 5 1097 1 1 11 ALA N N 2.099 -7.134 -0.108 1.00 . A A . 11 ALA N 1 1 5 1098 1 1 11 ALA O O 5.224 -5.926 -1.171 1.00 . A A . 11 ALA O 1 1 5 1099 1 1 12 HIS C C 4.308 -3.340 1.561 1.00 . A A . 12 HIS C 1 1 5 1100 1 1 12 HIS CA C 4.350 -3.601 0.059 1.00 . A A . 12 HIS CA 1 1 5 1101 1 1 12 HIS CB C 3.903 -2.307 -0.624 1.00 . A A . 12 HIS CB 1 1 5 1102 1 1 12 HIS CD2 C 2.086 -1.953 -2.439 1.00 . A A . 12 HIS CD2 1 1 5 1103 1 1 12 HIS CE1 C 2.808 -3.414 -3.906 1.00 . A A . 12 HIS CE1 1 1 5 1104 1 1 12 HIS CG C 3.197 -2.530 -1.925 1.00 . A A . 12 HIS CG 1 1 5 1105 1 1 12 HIS H H 2.523 -4.723 -0.081 1.00 . A A . 12 HIS H 1 1 5 1106 1 1 12 HIS HA H 5.377 -3.829 -0.229 1.00 . A A . 12 HIS HA 1 1 5 1107 1 1 12 HIS HB3 H 4.777 -1.685 -0.817 1.00 . A A . 12 HIS HB3 1 1 5 1108 1 1 12 HIS HD2 H 1.484 -1.189 -1.969 1.00 . A A . 12 HIS HD2 1 1 5 1109 1 1 12 HIS HE1 H 2.895 -4.021 -4.795 1.00 . A A . 12 HIS HE1 1 1 5 1110 1 1 12 HIS HE2 H 1.098 -2.287 -4.301 1.00 . A A . 12 HIS HE2 1 1 5 1111 1 1 12 HIS N N 3.520 -4.747 -0.293 1.00 . A A . 12 HIS N 1 1 5 1112 1 1 12 HIS ND1 N 3.625 -3.442 -2.868 1.00 . A A . 12 HIS ND1 1 1 5 1113 1 1 12 HIS NE2 N 1.865 -2.520 -3.670 1.00 . A A . 12 HIS NE2 1 1 5 1114 1 1 12 HIS O O 3.819 -2.309 2.023 1.00 . A A . 12 HIS O 1 1 5 1115 1 1 13 PRO C C 5.842 -3.125 4.288 1.00 . A A . 13 PRO C 1 1 5 1116 1 1 13 PRO CA C 4.866 -4.192 3.805 1.00 . A A . 13 PRO CA 1 1 5 1117 1 1 13 PRO CB C 5.331 -5.582 4.248 1.00 . A A . 13 PRO CB 1 1 5 1118 1 1 13 PRO CD C 5.432 -5.551 1.860 1.00 . A A . 13 PRO CD 1 1 5 1119 1 1 13 PRO CG C 6.096 -6.114 3.086 1.00 . A A . 13 PRO CG 1 1 5 1120 1 1 13 PRO HA H 3.877 -3.991 4.215 1.00 . A A . 13 PRO HA 1 1 5 1121 1 1 13 PRO HB3 H 4.465 -6.205 4.473 1.00 . A A . 13 PRO HB3 1 1 5 1122 1 1 13 PRO HD3 H 4.664 -6.233 1.495 1.00 . A A . 13 PRO HD3 1 1 5 1123 1 1 13 PRO HG3 H 6.045 -7.203 3.077 1.00 . A A . 13 PRO HG3 1 1 5 1124 1 1 13 PRO N N 4.832 -4.296 2.343 1.00 . A A . 13 PRO N 1 1 5 1125 1 1 13 PRO O O 5.606 -2.468 5.302 1.00 . A A . 13 PRO O 1 1 5 1126 1 1 14 ALA C C 7.337 -0.577 4.032 1.00 . A A . 14 ALA C 1 1 5 1127 1 1 14 ALA CA C 7.950 -1.968 3.909 1.00 . A A . 14 ALA CA 1 1 5 1128 1 1 14 ALA CB C 9.068 -1.964 2.878 1.00 . A A . 14 ALA CB 1 1 5 1129 1 1 14 ALA H H 7.076 -3.536 2.726 1.00 . A A . 14 ALA H 1 1 5 1130 1 1 14 ALA HA H 8.377 -2.253 4.871 1.00 . A A . 14 ALA HA 1 1 5 1131 1 1 14 ALA HB1 H 10.030 -1.988 3.387 1.00 . A A . 14 ALA HB1 1 1 5 1132 1 1 14 ALA HB2 H 8.974 -2.842 2.238 1.00 . A A . 14 ALA HB2 1 1 5 1133 1 1 14 ALA HB3 H 8.999 -1.062 2.270 1.00 . A A . 14 ALA HB3 1 1 5 1134 1 1 14 ALA N N 6.939 -2.958 3.556 1.00 . A A . 14 ALA N 1 1 5 1135 1 1 14 ALA O O 7.591 0.139 5.000 1.00 . A A . 14 ALA O 1 1 5 1136 1 1 15 ILE C C 4.613 1.086 2.196 1.00 . A A . 15 ILE C 1 1 5 1137 1 1 15 ILE CA C 5.880 1.102 3.045 1.00 . A A . 15 ILE CA 1 1 5 1138 1 1 15 ILE CB C 6.823 2.200 2.519 1.00 . A A . 15 ILE CB 1 1 5 1139 1 1 15 ILE CD1 C 8.043 2.816 0.372 1.00 . A A . 15 ILE CD1 1 1 5 1140 1 1 15 ILE CG1 C 7.581 1.703 1.287 1.00 . A A . 15 ILE CG1 1 1 5 1141 1 1 15 ILE CG2 C 7.795 2.630 3.608 1.00 . A A . 15 ILE CG2 1 1 5 1142 1 1 15 ILE H H 6.358 -0.844 2.271 1.00 . A A . 15 ILE H 1 1 5 1143 1 1 15 ILE HA H 5.611 1.344 4.073 1.00 . A A . 15 ILE HA 1 1 5 1144 1 1 15 ILE HB H 6.220 3.065 2.242 1.00 . A A . 15 ILE HB 1 1 5 1145 1 1 15 ILE HD11 H 7.643 3.767 0.725 1.00 . A A . 15 ILE HD11 1 1 5 1146 1 1 15 ILE HD12 H 9.133 2.857 0.372 1.00 . A A . 15 ILE HD12 1 1 5 1147 1 1 15 ILE HD13 H 7.687 2.627 -0.640 1.00 . A A . 15 ILE HD13 1 1 5 1148 1 1 15 ILE HG13 H 6.931 1.045 0.711 1.00 . A A . 15 ILE HG13 1 1 5 1149 1 1 15 ILE HG21 H 7.310 2.548 4.581 1.00 . A A . 15 ILE HG21 1 1 5 1150 1 1 15 ILE HG22 H 8.674 1.985 3.586 1.00 . A A . 15 ILE HG22 1 1 5 1151 1 1 15 ILE HG23 H 8.098 3.662 3.438 1.00 . A A . 15 ILE HG23 1 1 5 1152 1 1 15 ILE N N 6.529 -0.203 3.046 1.00 . A A . 15 ILE N 1 1 5 1153 1 1 15 ILE O O 4.636 0.673 1.036 1.00 . A A . 15 ILE O 1 1 5 1154 1 1 16 CYS C C 2.179 2.759 1.113 1.00 . A A . 16 CYS C 1 1 5 1155 1 1 16 CYS CA C 2.233 1.579 2.079 1.00 . A A . 16 CYS CA 1 1 5 1156 1 1 16 CYS CB C 1.079 1.672 3.080 1.00 . A A . 16 CYS CB 1 1 5 1157 1 1 16 CYS H H 3.556 1.868 3.745 1.00 . A A . 16 CYS H 1 1 5 1158 1 1 16 CYS HA H 2.134 0.654 1.510 1.00 . A A . 16 CYS HA 1 1 5 1159 1 1 16 CYS HB3 H 1.104 2.649 3.561 1.00 . A A . 16 CYS HB3 1 1 5 1160 1 1 16 CYS N N 3.509 1.539 2.781 1.00 . A A . 16 CYS N 1 1 5 1161 1 1 16 CYS O O 1.316 3.629 1.228 1.00 . A A . 16 CYS O 1 1 5 1162 1 1 16 CYS SG S -0.570 1.459 2.336 1.00 . A A . 16 CYS SG 1 1 5 1163 1 1 17 GLY C C 2.014 3.777 -1.813 1.00 . A A . 17 GLY C 1 1 5 1164 1 1 17 GLY CA C 3.147 3.858 -0.810 1.00 . A A . 17 GLY CA 1 1 5 1165 1 1 17 GLY H H 3.797 2.030 0.117 1.00 . A A . 17 GLY H 1 1 5 1166 1 1 17 GLY HA2 H 3.087 4.810 -0.284 1.00 . A A . 17 GLY HA2 1 1 5 1167 1 1 17 GLY HA3 H 4.095 3.811 -1.346 1.00 . A A . 17 GLY HA3 1 1 5 1168 1 1 17 GLY N N 3.107 2.781 0.161 1.00 . A A . 17 GLY N 1 1 5 1169 1 1 17 GLY O O 1.495 4.801 -2.257 1.00 . A A . 17 GLY O 1 1 5 1170 1 1 18 GLY C C -0.710 3.107 -2.731 1.00 . A A . 18 GLY C 1 1 5 1171 1 1 18 GLY CA C 0.553 2.369 -3.128 1.00 . A A . 18 GLY CA 1 1 5 1172 1 1 18 GLY H H 2.097 1.745 -1.770 1.00 . A A . 18 GLY H 1 1 5 1173 1 1 18 GLY HA2 H 0.881 2.731 -4.103 1.00 . A A . 18 GLY HA2 1 1 5 1174 1 1 18 GLY HA3 H 0.331 1.305 -3.203 1.00 . A A . 18 GLY HA3 1 1 5 1175 1 1 18 GLY N N 1.629 2.557 -2.172 1.00 . A A . 18 GLY N 1 1 5 1176 1 1 18 GLY O O -1.527 3.456 -3.583 1.00 . A A . 18 GLY O 1 1 5 1177 1 1 19 ALA C C -2.199 5.408 -1.587 1.00 . A A . 19 ALA C 1 1 5 1178 1 1 19 ALA CA C -2.046 4.044 -0.925 1.00 . A A . 19 ALA CA 1 1 5 1179 1 1 19 ALA CB C -1.956 4.196 0.587 1.00 . A A . 19 ALA CB 1 1 5 1180 1 1 19 ALA H H -0.159 3.027 -0.777 1.00 . A A . 19 ALA H 1 1 5 1181 1 1 19 ALA HA H -2.924 3.439 -1.153 1.00 . A A . 19 ALA HA 1 1 5 1182 1 1 19 ALA HB1 H -2.071 5.246 0.852 1.00 . A A . 19 ALA HB1 1 1 5 1183 1 1 19 ALA HB2 H -2.748 3.612 1.058 1.00 . A A . 19 ALA HB2 1 1 5 1184 1 1 19 ALA HB3 H -0.986 3.837 0.930 1.00 . A A . 19 ALA HB3 1 1 5 1185 1 1 19 ALA N N -0.873 3.342 -1.434 1.00 . A A . 19 ALA N 1 1 5 1186 1 1 19 ALA O O -3.314 5.886 -1.793 1.00 . A A . 19 ALA O 1 1 5 1187 1 1 20 ALA C C -1.925 7.323 -3.831 1.00 . A A . 20 ALA C 1 1 5 1188 1 1 20 ALA CA C -1.082 7.340 -2.559 1.00 . A A . 20 ALA CA 1 1 5 1189 1 1 20 ALA CB C 0.338 7.785 -2.871 1.00 . A A . 20 ALA CB 1 1 5 1190 1 1 20 ALA H H -0.179 5.580 -1.721 1.00 . A A . 20 ALA H 1 1 5 1191 1 1 20 ALA HA H -1.516 8.054 -1.859 1.00 . A A . 20 ALA HA 1 1 5 1192 1 1 20 ALA HB1 H 0.840 7.014 -3.455 1.00 . A A . 20 ALA HB1 1 1 5 1193 1 1 20 ALA HB2 H 0.311 8.713 -3.442 1.00 . A A . 20 ALA HB2 1 1 5 1194 1 1 20 ALA HB3 H 0.880 7.948 -1.940 1.00 . A A . 20 ALA HB3 1 1 5 1195 1 1 20 ALA N N -1.072 6.031 -1.919 1.00 . A A . 20 ALA N 1 1 5 1196 1 1 20 ALA O O -2.673 8.260 -4.104 1.00 . A A . 20 ALA O 1 1 5 1197 1 1 21 GLY C C -4.029 5.899 -5.594 1.00 . A A . 21 GLY C 1 1 5 1198 1 1 21 GLY CA C -2.551 6.132 -5.839 1.00 . A A . 21 GLY CA 1 1 5 1199 1 1 21 GLY H H -1.161 5.504 -4.326 1.00 . A A . 21 GLY H 1 1 5 1200 1 1 21 GLY HA2 H -2.429 7.048 -6.416 1.00 . A A . 21 GLY HA2 1 1 5 1201 1 1 21 GLY HA3 H -2.155 5.295 -6.416 1.00 . A A . 21 GLY HA3 1 1 5 1202 1 1 21 GLY N N -1.797 6.250 -4.606 1.00 . A A . 21 GLY N 1 1 5 1203 1 1 21 GLY O O -4.877 6.538 -6.217 1.00 . A A . 21 GLY O 1 1 5 1204 1 1 22 GLY C C -5.879 3.916 -3.077 1.00 . A A . 22 GLY C 1 1 5 1205 1 1 22 GLY CA C -5.726 4.678 -4.379 1.00 . A A . 22 GLY CA 1 1 5 1206 1 1 22 GLY H H -3.592 4.480 -4.203 1.00 . A A . 22 GLY H 1 1 5 1207 1 1 22 GLY HA2 H -6.283 5.612 -4.309 1.00 . A A . 22 GLY HA2 1 1 5 1208 1 1 22 GLY HA3 H -6.143 4.077 -5.187 1.00 . A A . 22 GLY HA3 1 1 5 1209 1 1 22 GLY N N -4.339 4.978 -4.686 1.00 . A A . 22 GLY N 1 1 5 1210 1 1 22 GLY O O -5.402 4.359 -2.032 1.00 . A A . 22 GLY O 1 1 6 1211 1 1 1 GLY C C -5.991 0.830 -1.756 1.00 . A A . 1 GLY C 1 1 6 1212 1 1 1 GLY CA C -6.888 2.024 -2.015 1.00 . A A . 1 GLY CA 1 1 6 1213 1 1 1 GLY H1 H -6.443 2.169 -3.921 1.00 . A A . 1 GLY H1 1 1 6 1214 1 1 1 GLY HA2 H -6.903 2.655 -1.127 1.00 . A A . 1 GLY HA2 1 1 6 1215 1 1 1 GLY HA3 H -7.899 1.667 -2.211 1.00 . A A . 1 GLY HA3 1 1 6 1216 1 1 1 GLY N N -6.444 2.817 -3.146 1.00 . A A . 1 GLY N 1 1 6 1217 1 1 1 GLY O O -6.472 -0.286 -1.557 1.00 . A A . 1 GLY O 1 1 6 1218 1 1 2 CYS C C -3.708 -0.416 -0.055 1.00 . A A . 2 CYS C 1 1 6 1219 1 1 2 CYS CA C -3.715 -0.001 -1.524 1.00 . A A . 2 CYS CA 1 1 6 1220 1 1 2 CYS CB C -2.315 0.452 -1.943 1.00 . A A . 2 CYS CB 1 1 6 1221 1 1 2 CYS H H -4.347 2.011 -1.930 1.00 . A A . 2 CYS H 1 1 6 1222 1 1 2 CYS HA H -4.007 -0.860 -2.130 1.00 . A A . 2 CYS HA 1 1 6 1223 1 1 2 CYS HB3 H -1.580 -0.006 -1.282 1.00 . A A . 2 CYS HB3 1 1 6 1224 1 1 2 CYS N N -4.683 1.063 -1.759 1.00 . A A . 2 CYS N 1 1 6 1225 1 1 2 CYS O O -3.689 -1.604 0.266 1.00 . A A . 2 CYS O 1 1 6 1226 1 1 2 CYS SG S -1.874 0.012 -3.655 1.00 . A A . 2 CYS SG 1 1 6 1227 1 1 3 CYS C C -4.933 -0.520 2.674 1.00 . A A . 3 CYS C 1 1 6 1228 1 1 3 CYS CA C -3.719 0.312 2.268 1.00 . A A . 3 CYS CA 1 1 6 1229 1 1 3 CYS CB C -3.706 1.629 3.046 1.00 . A A . 3 CYS CB 1 1 6 1230 1 1 3 CYS H H -3.740 1.538 0.502 1.00 . A A . 3 CYS H 1 1 6 1231 1 1 3 CYS HA H -2.815 -0.248 2.503 1.00 . A A . 3 CYS HA 1 1 6 1232 1 1 3 CYS HB3 H -4.234 1.490 3.990 1.00 . A A . 3 CYS HB3 1 1 6 1233 1 1 3 CYS N N -3.724 0.573 0.833 1.00 . A A . 3 CYS N 1 1 6 1234 1 1 3 CYS O O -4.857 -1.342 3.585 1.00 . A A . 3 CYS O 1 1 6 1235 1 1 3 CYS SG S -2.037 2.250 3.429 1.00 . A A . 3 CYS SG 1 1 6 1236 1 1 4 SER C C -7.200 -2.459 1.770 1.00 . A A . 4 SER C 1 1 6 1237 1 1 4 SER CA C -7.281 -1.024 2.279 1.00 . A A . 4 SER CA 1 1 6 1238 1 1 4 SER CB C -8.480 -0.313 1.646 1.00 . A A . 4 SER CB 1 1 6 1239 1 1 4 SER H H -6.048 0.399 1.244 1.00 . A A . 4 SER H 1 1 6 1240 1 1 4 SER HA H -7.412 -1.042 3.361 1.00 . A A . 4 SER HA 1 1 6 1241 1 1 4 SER HB3 H -8.751 -0.821 0.720 1.00 . A A . 4 SER HB3 1 1 6 1242 1 1 4 SER HG H -10.349 0.139 2.088 1.00 . A A . 4 SER HG 1 1 6 1243 1 1 4 SER N N -6.051 -0.298 1.989 1.00 . A A . 4 SER N 1 1 6 1244 1 1 4 SER O O -7.750 -3.378 2.377 1.00 . A A . 4 SER O 1 1 6 1245 1 1 4 SER OG O -9.597 -0.322 2.516 1.00 . A A . 4 SER OG 1 1 6 1246 1 1 5 ASP C C -5.144 -4.687 0.648 1.00 . A A . 5 ASP C 1 1 6 1247 1 1 5 ASP CA C -6.351 -3.967 0.058 1.00 . A A . 5 ASP CA 1 1 6 1248 1 1 5 ASP CB C -6.204 -3.855 -1.461 1.00 . A A . 5 ASP CB 1 1 6 1249 1 1 5 ASP CG C -6.760 -5.064 -2.188 1.00 . A A . 5 ASP CG 1 1 6 1250 1 1 5 ASP H H -6.076 -1.841 0.195 1.00 . A A . 5 ASP H 1 1 6 1251 1 1 5 ASP HA H -7.249 -4.544 0.284 1.00 . A A . 5 ASP HA 1 1 6 1252 1 1 5 ASP HB3 H -5.147 -3.760 -1.709 1.00 . A A . 5 ASP HB3 1 1 6 1253 1 1 5 ASP N N -6.508 -2.644 0.650 1.00 . A A . 5 ASP N 1 1 6 1254 1 1 5 ASP O O -4.084 -4.100 0.862 1.00 . A A . 5 ASP O 1 1 6 1255 1 1 5 ASP OD1 O -7.985 -5.294 -2.104 1.00 . A A . 5 ASP OD1 1 1 6 1256 1 1 5 ASP OD2 O -5.972 -5.779 -2.839 1.00 . A A . 5 ASP OD2 1 1 6 1257 1 1 6 PRO C C -3.104 -7.065 0.498 1.00 . A A . 6 PRO C 1 1 6 1258 1 1 6 PRO CA C -4.239 -6.820 1.487 1.00 . A A . 6 PRO CA 1 1 6 1259 1 1 6 PRO CB C -4.950 -8.134 1.822 1.00 . A A . 6 PRO CB 1 1 6 1260 1 1 6 PRO CD C -6.542 -6.757 0.688 1.00 . A A . 6 PRO CD 1 1 6 1261 1 1 6 PRO CG C -6.110 -8.184 0.890 1.00 . A A . 6 PRO CG 1 1 6 1262 1 1 6 PRO HA H -3.834 -6.381 2.400 1.00 . A A . 6 PRO HA 1 1 6 1263 1 1 6 PRO HB3 H -5.275 -8.121 2.862 1.00 . A A . 6 PRO HB3 1 1 6 1264 1 1 6 PRO HD3 H -7.308 -6.485 1.414 1.00 . A A . 6 PRO HD3 1 1 6 1265 1 1 6 PRO HG3 H -6.919 -8.763 1.335 1.00 . A A . 6 PRO HG3 1 1 6 1266 1 1 6 PRO N N -5.306 -5.992 0.918 1.00 . A A . 6 PRO N 1 1 6 1267 1 1 6 PRO O O -1.961 -7.290 0.894 1.00 . A A . 6 PRO O 1 1 6 1268 1 1 7 ARG C C -1.294 -6.231 -1.720 1.00 . A A . 7 ARG C 1 1 6 1269 1 1 7 ARG CA C -2.435 -7.238 -1.835 1.00 . A A . 7 ARG CA 1 1 6 1270 1 1 7 ARG CB C -3.087 -7.131 -3.215 1.00 . A A . 7 ARG CB 1 1 6 1271 1 1 7 ARG CD C -3.146 -9.564 -3.845 1.00 . A A . 7 ARG CD 1 1 6 1272 1 1 7 ARG CG C -2.606 -8.187 -4.198 1.00 . A A . 7 ARG CG 1 1 6 1273 1 1 7 ARG CZ C -2.249 -11.837 -3.578 1.00 . A A . 7 ARG CZ 1 1 6 1274 1 1 7 ARG H H -4.395 -6.828 -1.054 1.00 . A A . 7 ARG H 1 1 6 1275 1 1 7 ARG HA H -2.032 -8.242 -1.709 1.00 . A A . 7 ARG HA 1 1 6 1276 1 1 7 ARG HB3 H -2.866 -6.150 -3.634 1.00 . A A . 7 ARG HB3 1 1 6 1277 1 1 7 ARG HD3 H -3.746 -9.927 -4.679 1.00 . A A . 7 ARG HD3 1 1 6 1278 1 1 7 ARG HE H -1.147 -10.147 -3.383 1.00 . A A . 7 ARG HE 1 1 6 1279 1 1 7 ARG HG3 H -1.516 -8.218 -4.180 1.00 . A A . 7 ARG HG3 1 1 6 1280 1 1 7 ARG HH11 H -4.234 -11.735 -4.024 1.00 . A A . 7 ARG HH11 1 1 6 1281 1 1 7 ARG HH12 H -3.576 -13.363 -3.829 1.00 . A A . 7 ARG HH12 1 1 6 1282 1 1 7 ARG HH21 H -0.304 -12.250 -3.133 1.00 . A A . 7 ARG HH21 1 1 6 1283 1 1 7 ARG HH22 H -1.361 -13.653 -3.326 1.00 . A A . 7 ARG HH22 1 1 6 1284 1 1 7 ARG N N -3.428 -7.020 -0.790 1.00 . A A . 7 ARG N 1 1 6 1285 1 1 7 ARG NE N -2.076 -10.520 -3.579 1.00 . A A . 7 ARG NE 1 1 6 1286 1 1 7 ARG NH1 N -3.445 -12.351 -3.828 1.00 . A A . 7 ARG NH1 1 1 6 1287 1 1 7 ARG NH2 N -1.226 -12.643 -3.326 1.00 . A A . 7 ARG NH2 1 1 6 1288 1 1 7 ARG O O -0.125 -6.609 -1.646 1.00 . A A . 7 ARG O 1 1 6 1289 1 1 8 CYS C C 0.032 -3.913 -0.237 1.00 . A A . 8 CYS C 1 1 6 1290 1 1 8 CYS CA C -0.649 -3.887 -1.602 1.00 . A A . 8 CYS CA 1 1 6 1291 1 1 8 CYS CB C -1.303 -2.523 -1.833 1.00 . A A . 8 CYS CB 1 1 6 1292 1 1 8 CYS H H -2.630 -4.701 -1.772 1.00 . A A . 8 CYS H 1 1 6 1293 1 1 8 CYS HA H 0.103 -4.055 -2.373 1.00 . A A . 8 CYS HA 1 1 6 1294 1 1 8 CYS HB3 H -0.694 -1.753 -1.358 1.00 . A A . 8 CYS HB3 1 1 6 1295 1 1 8 CYS N N -1.643 -4.949 -1.707 1.00 . A A . 8 CYS N 1 1 6 1296 1 1 8 CYS O O 1.199 -3.545 -0.107 1.00 . A A . 8 CYS O 1 1 6 1297 1 1 8 CYS SG S -1.496 -2.078 -3.588 1.00 . A A . 8 CYS SG 1 1 6 1298 1 1 9 ASN C C 0.900 -5.504 2.239 1.00 . A A . 9 ASN C 1 1 6 1299 1 1 9 ASN CA C -0.173 -4.425 2.134 1.00 . A A . 9 ASN CA 1 1 6 1300 1 1 9 ASN CB C -1.297 -4.710 3.131 1.00 . A A . 9 ASN CB 1 1 6 1301 1 1 9 ASN CG C -0.956 -4.251 4.536 1.00 . A A . 9 ASN CG 1 1 6 1302 1 1 9 ASN H H -1.668 -4.642 0.605 1.00 . A A . 9 ASN H 1 1 6 1303 1 1 9 ASN HA H 0.273 -3.460 2.371 1.00 . A A . 9 ASN HA 1 1 6 1304 1 1 9 ASN HB3 H -1.491 -5.783 3.156 1.00 . A A . 9 ASN HB3 1 1 6 1305 1 1 9 ASN HD21 H -0.764 -2.352 3.870 1.00 . A A . 9 ASN HD21 1 1 6 1306 1 1 9 ASN HD22 H -0.476 -2.617 5.625 1.00 . A A . 9 ASN HD22 1 1 6 1307 1 1 9 ASN N N -0.706 -4.351 0.779 1.00 . A A . 9 ASN N 1 1 6 1308 1 1 9 ASN ND2 N -0.709 -2.955 4.691 1.00 . A A . 9 ASN ND2 1 1 6 1309 1 1 9 ASN O O 1.987 -5.264 2.767 1.00 . A A . 9 ASN O 1 1 6 1310 1 1 9 ASN OD1 O -0.913 -5.052 5.469 1.00 . A A . 9 ASN OD1 1 1 6 1311 1 1 10 TYR C C 2.634 -7.624 0.739 1.00 . A A . 10 TYR C 1 1 6 1312 1 1 10 TYR CA C 1.526 -7.808 1.770 1.00 . A A . 10 TYR CA 1 1 6 1313 1 1 10 TYR CB C 0.792 -9.126 1.518 1.00 . A A . 10 TYR CB 1 1 6 1314 1 1 10 TYR CD1 C 1.164 -10.938 3.237 1.00 . A A . 10 TYR CD1 1 1 6 1315 1 1 10 TYR CD2 C 2.593 -10.886 1.329 1.00 . A A . 10 TYR CD2 1 1 6 1316 1 1 10 TYR CE1 C 1.835 -12.046 3.715 1.00 . A A . 10 TYR CE1 1 1 6 1317 1 1 10 TYR CE2 C 3.268 -11.996 1.800 1.00 . A A . 10 TYR CE2 1 1 6 1318 1 1 10 TYR CG C 1.529 -10.339 2.037 1.00 . A A . 10 TYR CG 1 1 6 1319 1 1 10 TYR CZ C 2.886 -12.571 2.994 1.00 . A A . 10 TYR CZ 1 1 6 1320 1 1 10 TYR H H -0.328 -6.827 1.309 1.00 . A A . 10 TYR H 1 1 6 1321 1 1 10 TYR HA H 1.972 -7.837 2.764 1.00 . A A . 10 TYR HA 1 1 6 1322 1 1 10 TYR HB3 H 0.649 -9.254 0.445 1.00 . A A . 10 TYR HB3 1 1 6 1323 1 1 10 TYR HD1 H 0.341 -10.524 3.800 1.00 . A A . 10 TYR HD1 1 1 6 1324 1 1 10 TYR HD2 H 2.889 -10.432 0.396 1.00 . A A . 10 TYR HD2 1 1 6 1325 1 1 10 TYR HE1 H 1.537 -12.499 4.650 1.00 . A A . 10 TYR HE1 1 1 6 1326 1 1 10 TYR HE2 H 4.092 -12.407 1.235 1.00 . A A . 10 TYR HE2 1 1 6 1327 1 1 10 TYR HH H 4.270 -13.918 2.837 1.00 . A A . 10 TYR HH 1 1 6 1328 1 1 10 TYR N N 0.589 -6.691 1.733 1.00 . A A . 10 TYR N 1 1 6 1329 1 1 10 TYR O O 3.768 -8.056 0.946 1.00 . A A . 10 TYR O 1 1 6 1330 1 1 10 TYR OH O 3.558 -13.675 3.466 1.00 . A A . 10 TYR OH 1 1 6 1331 1 1 11 ALA C C 4.214 -5.604 -1.066 1.00 . A A . 11 ALA C 1 1 6 1332 1 1 11 ALA CA C 3.264 -6.737 -1.437 1.00 . A A . 11 ALA CA 1 1 6 1333 1 1 11 ALA CB C 2.544 -6.420 -2.740 1.00 . A A . 11 ALA CB 1 1 6 1334 1 1 11 ALA H H 1.340 -6.648 -0.485 1.00 . A A . 11 ALA H 1 1 6 1335 1 1 11 ALA HA H 3.842 -7.650 -1.583 1.00 . A A . 11 ALA HA 1 1 6 1336 1 1 11 ALA HB1 H 1.732 -7.130 -2.888 1.00 . A A . 11 ALA HB1 1 1 6 1337 1 1 11 ALA HB2 H 2.141 -5.408 -2.696 1.00 . A A . 11 ALA HB2 1 1 6 1338 1 1 11 ALA HB3 H 3.247 -6.495 -3.570 1.00 . A A . 11 ALA HB3 1 1 6 1339 1 1 11 ALA N N 2.298 -6.980 -0.374 1.00 . A A . 11 ALA N 1 1 6 1340 1 1 11 ALA O O 5.414 -5.672 -1.338 1.00 . A A . 11 ALA O 1 1 6 1341 1 1 12 HIS C C 4.401 -3.209 1.472 1.00 . A A . 12 HIS C 1 1 6 1342 1 1 12 HIS CA C 4.473 -3.412 -0.038 1.00 . A A . 12 HIS CA 1 1 6 1343 1 1 12 HIS CB C 4.010 -2.103 -0.680 1.00 . A A . 12 HIS CB 1 1 6 1344 1 1 12 HIS CD2 C 2.215 -1.718 -2.510 1.00 . A A . 12 HIS CD2 1 1 6 1345 1 1 12 HIS CE1 C 2.991 -3.108 -4.018 1.00 . A A . 12 HIS CE1 1 1 6 1346 1 1 12 HIS CG C 3.330 -2.291 -2.000 1.00 . A A . 12 HIS CG 1 1 6 1347 1 1 12 HIS H H 2.671 -4.564 -0.251 1.00 . A A . 12 HIS H 1 1 6 1348 1 1 12 HIS HA H 5.507 -3.610 -0.317 1.00 . A A . 12 HIS HA 1 1 6 1349 1 1 12 HIS HB3 H 4.875 -1.457 -0.836 1.00 . A A . 12 HIS HB3 1 1 6 1350 1 1 12 HIS HD2 H 1.590 -0.984 -2.023 1.00 . A A . 12 HIS HD2 1 1 6 1351 1 1 12 HIS HE1 H 3.106 -3.680 -4.928 1.00 . A A . 12 HIS HE1 1 1 6 1352 1 1 12 HIS HE2 H 1.264 -2.002 -4.400 1.00 . A A . 12 HIS HE2 1 1 6 1353 1 1 12 HIS N N 3.672 -4.561 -0.446 1.00 . A A . 12 HIS N 1 1 6 1354 1 1 12 HIS ND1 N 3.791 -3.159 -2.968 1.00 . A A . 12 HIS ND1 1 1 6 1355 1 1 12 HIS NE2 N 2.027 -2.242 -3.766 1.00 . A A . 12 HIS NE2 1 1 6 1356 1 1 12 HIS O O 3.884 -2.206 1.965 1.00 . A A . 12 HIS O 1 1 6 1357 1 1 13 PRO C C 5.886 -3.066 4.231 1.00 . A A . 13 PRO C 1 1 6 1358 1 1 13 PRO CA C 4.939 -4.134 3.692 1.00 . A A . 13 PRO CA 1 1 6 1359 1 1 13 PRO CB C 5.424 -5.529 4.091 1.00 . A A . 13 PRO CB 1 1 6 1360 1 1 13 PRO CD C 5.564 -5.407 1.708 1.00 . A A . 13 PRO CD 1 1 6 1361 1 1 13 PRO CG C 6.219 -6.003 2.924 1.00 . A A . 13 PRO CG 1 1 6 1362 1 1 13 PRO HA H 3.940 -3.967 4.092 1.00 . A A . 13 PRO HA 1 1 6 1363 1 1 13 PRO HB3 H 4.568 -6.176 4.278 1.00 . A A . 13 PRO HB3 1 1 6 1364 1 1 13 PRO HD3 H 4.817 -6.090 1.305 1.00 . A A . 13 PRO HD3 1 1 6 1365 1 1 13 PRO HG3 H 6.191 -7.092 2.873 1.00 . A A . 13 PRO HG3 1 1 6 1366 1 1 13 PRO N N 4.931 -4.183 2.227 1.00 . A A . 13 PRO N 1 1 6 1367 1 1 13 PRO O O 5.620 -2.452 5.264 1.00 . A A . 13 PRO O 1 1 6 1368 1 1 14 ALA C C 7.332 -0.483 4.096 1.00 . A A . 14 ALA C 1 1 6 1369 1 1 14 ALA CA C 7.975 -1.855 3.931 1.00 . A A . 14 ALA CA 1 1 6 1370 1 1 14 ALA CB C 9.109 -1.792 2.919 1.00 . A A . 14 ALA CB 1 1 6 1371 1 1 14 ALA H H 7.152 -3.394 2.677 1.00 . A A . 14 ALA H 1 1 6 1372 1 1 14 ALA HA H 8.392 -2.166 4.888 1.00 . A A . 14 ALA HA 1 1 6 1373 1 1 14 ALA HB1 H 9.863 -1.084 3.264 1.00 . A A . 14 ALA HB1 1 1 6 1374 1 1 14 ALA HB2 H 9.559 -2.778 2.814 1.00 . A A . 14 ALA HB2 1 1 6 1375 1 1 14 ALA HB3 H 8.718 -1.466 1.955 1.00 . A A . 14 ALA HB3 1 1 6 1376 1 1 14 ALA N N 6.991 -2.851 3.525 1.00 . A A . 14 ALA N 1 1 6 1377 1 1 14 ALA O O 7.557 0.203 5.094 1.00 . A A . 14 ALA O 1 1 6 1378 1 1 15 ILE C C 4.606 1.195 2.277 1.00 . A A . 15 ILE C 1 1 6 1379 1 1 15 ILE CA C 5.858 1.205 3.148 1.00 . A A . 15 ILE CA 1 1 6 1380 1 1 15 ILE CB C 6.787 2.340 2.679 1.00 . A A . 15 ILE CB 1 1 6 1381 1 1 15 ILE CD1 C 8.455 2.995 0.871 1.00 . A A . 15 ILE CD1 1 1 6 1382 1 1 15 ILE CG1 C 7.575 1.904 1.441 1.00 . A A . 15 ILE CG1 1 1 6 1383 1 1 15 ILE CG2 C 7.733 2.747 3.798 1.00 . A A . 15 ILE CG2 1 1 6 1384 1 1 15 ILE H H 6.389 -0.702 2.310 1.00 . A A . 15 ILE H 1 1 6 1385 1 1 15 ILE HA H 5.567 1.403 4.180 1.00 . A A . 15 ILE HA 1 1 6 1386 1 1 15 ILE HB H 6.170 3.202 2.424 1.00 . A A . 15 ILE HB 1 1 6 1387 1 1 15 ILE HD11 H 8.647 2.794 -0.183 1.00 . A A . 15 ILE HD11 1 1 6 1388 1 1 15 ILE HD12 H 7.953 3.958 0.973 1.00 . A A . 15 ILE HD12 1 1 6 1389 1 1 15 ILE HD13 H 9.400 3.019 1.413 1.00 . A A . 15 ILE HD13 1 1 6 1390 1 1 15 ILE HG13 H 6.875 1.598 0.664 1.00 . A A . 15 ILE HG13 1 1 6 1391 1 1 15 ILE HG21 H 7.246 2.586 4.761 1.00 . A A . 15 ILE HG21 1 1 6 1392 1 1 15 ILE HG22 H 8.639 2.145 3.746 1.00 . A A . 15 ILE HG22 1 1 6 1393 1 1 15 ILE HG23 H 7.989 3.802 3.693 1.00 . A A . 15 ILE HG23 1 1 6 1394 1 1 15 ILE N N 6.533 -0.086 3.111 1.00 . A A . 15 ILE N 1 1 6 1395 1 1 15 ILE O O 4.655 0.828 1.103 1.00 . A A . 15 ILE O 1 1 6 1396 1 1 16 CYS C C 2.156 2.860 1.217 1.00 . A A . 16 CYS C 1 1 6 1397 1 1 16 CYS CA C 2.218 1.645 2.139 1.00 . A A . 16 CYS CA 1 1 6 1398 1 1 16 CYS CB C 1.046 1.677 3.123 1.00 . A A . 16 CYS CB 1 1 6 1399 1 1 16 CYS H H 3.509 1.896 3.836 1.00 . A A . 16 CYS H 1 1 6 1400 1 1 16 CYS HA H 2.147 0.742 1.534 1.00 . A A . 16 CYS HA 1 1 6 1401 1 1 16 CYS HB3 H 1.042 2.636 3.640 1.00 . A A . 16 CYS HB3 1 1 6 1402 1 1 16 CYS N N 3.484 1.605 2.860 1.00 . A A . 16 CYS N 1 1 6 1403 1 1 16 CYS O O 1.275 3.709 1.350 1.00 . A A . 16 CYS O 1 1 6 1404 1 1 16 CYS SG S -0.586 1.461 2.343 1.00 . A A . 16 CYS SG 1 1 6 1405 1 1 17 GLY C C 2.017 3.985 -1.672 1.00 . A A . 17 GLY C 1 1 6 1406 1 1 17 GLY CA C 3.132 4.049 -0.648 1.00 . A A . 17 GLY CA 1 1 6 1407 1 1 17 GLY H H 3.803 2.202 0.221 1.00 . A A . 17 GLY H 1 1 6 1408 1 1 17 GLY HA2 H 3.044 4.980 -0.086 1.00 . A A . 17 GLY HA2 1 1 6 1409 1 1 17 GLY HA3 H 4.090 4.042 -1.169 1.00 . A A . 17 GLY HA3 1 1 6 1410 1 1 17 GLY N N 3.098 2.936 0.282 1.00 . A A . 17 GLY N 1 1 6 1411 1 1 17 GLY O O 1.485 5.014 -2.086 1.00 . A A . 17 GLY O 1 1 6 1412 1 1 18 GLY C C -0.677 3.296 -2.660 1.00 . A A . 18 GLY C 1 1 6 1413 1 1 18 GLY CA C 0.607 2.599 -3.063 1.00 . A A . 18 GLY CA 1 1 6 1414 1 1 18 GLY H H 2.141 1.953 -1.703 1.00 . A A . 18 GLY H 1 1 6 1415 1 1 18 GLY HA2 H 0.943 3.003 -4.018 1.00 . A A . 18 GLY HA2 1 1 6 1416 1 1 18 GLY HA3 H 0.407 1.533 -3.180 1.00 . A A . 18 GLY HA3 1 1 6 1417 1 1 18 GLY N N 1.663 2.770 -2.083 1.00 . A A . 18 GLY N 1 1 6 1418 1 1 18 GLY O O -1.487 3.661 -3.513 1.00 . A A . 18 GLY O 1 1 6 1419 1 1 19 ALA C C -2.231 5.523 -1.456 1.00 . A A . 19 ALA C 1 1 6 1420 1 1 19 ALA CA C -2.060 4.137 -0.843 1.00 . A A . 19 ALA CA 1 1 6 1421 1 1 19 ALA CB C -1.998 4.233 0.673 1.00 . A A . 19 ALA CB 1 1 6 1422 1 1 19 ALA H H -0.156 3.153 -0.701 1.00 . A A . 19 ALA H 1 1 6 1423 1 1 19 ALA HA H -2.922 3.526 -1.109 1.00 . A A . 19 ALA HA 1 1 6 1424 1 1 19 ALA HB1 H -1.027 3.881 1.020 1.00 . A A . 19 ALA HB1 1 1 6 1425 1 1 19 ALA HB2 H -2.140 5.270 0.978 1.00 . A A . 19 ALA HB2 1 1 6 1426 1 1 19 ALA HB3 H -2.785 3.617 1.108 1.00 . A A . 19 ALA HB3 1 1 6 1427 1 1 19 ALA N N -0.866 3.479 -1.357 1.00 . A A . 19 ALA N 1 1 6 1428 1 1 19 ALA O O -3.352 5.987 -1.663 1.00 . A A . 19 ALA O 1 1 6 1429 1 1 20 ALA C C -1.959 7.526 -3.621 1.00 . A A . 20 ALA C 1 1 6 1430 1 1 20 ALA CA C -1.137 7.511 -2.336 1.00 . A A . 20 ALA CA 1 1 6 1431 1 1 20 ALA CB C 0.278 7.996 -2.608 1.00 . A A . 20 ALA CB 1 1 6 1432 1 1 20 ALA H H -0.213 5.738 -1.550 1.00 . A A . 20 ALA H 1 1 6 1433 1 1 20 ALA HA H -1.595 8.190 -1.617 1.00 . A A . 20 ALA HA 1 1 6 1434 1 1 20 ALA HB1 H 0.375 9.032 -2.287 1.00 . A A . 20 ALA HB1 1 1 6 1435 1 1 20 ALA HB2 H 0.986 7.377 -2.055 1.00 . A A . 20 ALA HB2 1 1 6 1436 1 1 20 ALA HB3 H 0.489 7.925 -3.675 1.00 . A A . 20 ALA HB3 1 1 6 1437 1 1 20 ALA N N -1.112 6.179 -1.746 1.00 . A A . 20 ALA N 1 1 6 1438 1 1 20 ALA O O -2.722 8.458 -3.872 1.00 . A A . 20 ALA O 1 1 6 1439 1 1 21 GLY C C -4.006 6.129 -5.473 1.00 . A A . 21 GLY C 1 1 6 1440 1 1 21 GLY CA C -2.530 6.400 -5.683 1.00 . A A . 21 GLY CA 1 1 6 1441 1 1 21 GLY H H -1.151 5.741 -4.172 1.00 . A A . 21 GLY H 1 1 6 1442 1 1 21 GLY HA2 H -2.417 7.340 -6.223 1.00 . A A . 21 GLY HA2 1 1 6 1443 1 1 21 GLY HA3 H -2.108 5.595 -6.285 1.00 . A A . 21 GLY HA3 1 1 6 1444 1 1 21 GLY N N -1.797 6.485 -4.434 1.00 . A A . 21 GLY N 1 1 6 1445 1 1 21 GLY O O -4.857 6.774 -6.084 1.00 . A A . 21 GLY O 1 1 6 1446 1 1 22 GLY C C -5.854 4.015 -3.063 1.00 . A A . 22 GLY C 1 1 6 1447 1 1 22 GLY CA C -5.697 4.828 -4.332 1.00 . A A . 22 GLY CA 1 1 6 1448 1 1 22 GLY H H -3.563 4.667 -4.128 1.00 . A A . 22 GLY H 1 1 6 1449 1 1 22 GLY HA2 H -6.273 5.749 -4.235 1.00 . A A . 22 GLY HA2 1 1 6 1450 1 1 22 GLY HA3 H -6.089 4.252 -5.170 1.00 . A A . 22 GLY HA3 1 1 6 1451 1 1 22 GLY N N -4.312 5.169 -4.605 1.00 . A A . 22 GLY N 1 1 6 1452 1 1 22 GLY O O -5.404 4.427 -1.993 1.00 . A A . 22 GLY O 1 1 7 1453 1 1 1 GLY C C -5.942 0.780 -1.773 1.00 . A A . 1 GLY C 1 1 7 1454 1 1 1 GLY CA C -6.848 1.968 -2.028 1.00 . A A . 1 GLY CA 1 1 7 1455 1 1 1 GLY H1 H -6.394 2.133 -3.930 1.00 . A A . 1 GLY H1 1 1 7 1456 1 1 1 GLY HA2 H -6.873 2.591 -1.134 1.00 . A A . 1 GLY HA2 1 1 7 1457 1 1 1 GLY HA3 H -7.855 1.604 -2.232 1.00 . A A . 1 GLY HA3 1 1 7 1458 1 1 1 GLY N N -6.405 2.774 -3.150 1.00 . A A . 1 GLY N 1 1 7 1459 1 1 1 GLY O O -6.414 -0.343 -1.587 1.00 . A A . 1 GLY O 1 1 7 1460 1 1 2 CYS C C -3.658 -0.462 -0.072 1.00 . A A . 2 CYS C 1 1 7 1461 1 1 2 CYS CA C -3.660 -0.034 -1.536 1.00 . A A . 2 CYS CA 1 1 7 1462 1 1 2 CYS CB C -2.262 0.436 -1.944 1.00 . A A . 2 CYS CB 1 1 7 1463 1 1 2 CYS H H -4.306 1.976 -1.929 1.00 . A A . 2 CYS H 1 1 7 1464 1 1 2 CYS HA H -3.940 -0.889 -2.152 1.00 . A A . 2 CYS HA 1 1 7 1465 1 1 2 CYS HB3 H -1.527 -0.023 -1.282 1.00 . A A . 2 CYS HB3 1 1 7 1466 1 1 2 CYS N N -4.636 1.025 -1.767 1.00 . A A . 2 CYS N 1 1 7 1467 1 1 2 CYS O O -3.630 -1.653 0.239 1.00 . A A . 2 CYS O 1 1 7 1468 1 1 2 CYS SG S -1.806 0.015 -3.656 1.00 . A A . 2 CYS SG 1 1 7 1469 1 1 3 CYS C C -4.898 -0.601 2.648 1.00 . A A . 3 CYS C 1 1 7 1470 1 1 3 CYS CA C -3.690 0.246 2.257 1.00 . A A . 3 CYS CA 1 1 7 1471 1 1 3 CYS CB C -3.692 1.555 3.049 1.00 . A A . 3 CYS CB 1 1 7 1472 1 1 3 CYS H H -3.710 1.486 0.505 1.00 . A A . 3 CYS H 1 1 7 1473 1 1 3 CYS HA H -2.782 -0.309 2.494 1.00 . A A . 3 CYS HA 1 1 7 1474 1 1 3 CYS HB3 H -4.224 1.403 3.987 1.00 . A A . 3 CYS HB3 1 1 7 1475 1 1 3 CYS N N -3.688 0.518 0.826 1.00 . A A . 3 CYS N 1 1 7 1476 1 1 3 CYS O O -4.821 -1.430 3.555 1.00 . A A . 3 CYS O 1 1 7 1477 1 1 3 CYS SG S -2.031 2.187 3.446 1.00 . A A . 3 CYS SG 1 1 7 1478 1 1 4 SER C C -7.143 -2.552 1.714 1.00 . A A . 4 SER C 1 1 7 1479 1 1 4 SER CA C -7.240 -1.122 2.236 1.00 . A A . 4 SER CA 1 1 7 1480 1 1 4 SER CB C -8.440 -0.415 1.602 1.00 . A A . 4 SER CB 1 1 7 1481 1 1 4 SER H H -6.012 0.320 1.221 1.00 . A A . 4 SER H 1 1 7 1482 1 1 4 SER HA H -7.376 -1.150 3.318 1.00 . A A . 4 SER HA 1 1 7 1483 1 1 4 SER HB3 H -8.593 -0.800 0.594 1.00 . A A . 4 SER HB3 1 1 7 1484 1 1 4 SER HG H -10.370 -0.170 1.933 1.00 . A A . 4 SER HG 1 1 7 1485 1 1 4 SER N N -6.014 -0.383 1.960 1.00 . A A . 4 SER N 1 1 7 1486 1 1 4 SER O O -7.688 -3.480 2.311 1.00 . A A . 4 SER O 1 1 7 1487 1 1 4 SER OG O -9.619 -0.634 2.358 1.00 . A A . 4 SER OG 1 1 7 1488 1 1 5 ASP C C -5.061 -4.752 0.585 1.00 . A A . 5 ASP C 1 1 7 1489 1 1 5 ASP CA C -6.272 -4.037 -0.006 1.00 . A A . 5 ASP CA 1 1 7 1490 1 1 5 ASP CB C -6.116 -3.910 -1.522 1.00 . A A . 5 ASP CB 1 1 7 1491 1 1 5 ASP CG C -6.659 -5.117 -2.262 1.00 . A A . 5 ASP CG 1 1 7 1492 1 1 5 ASP H H -6.015 -1.910 0.152 1.00 . A A . 5 ASP H 1 1 7 1493 1 1 5 ASP HA H -7.164 -4.623 0.211 1.00 . A A . 5 ASP HA 1 1 7 1494 1 1 5 ASP HB3 H -5.059 -3.803 -1.764 1.00 . A A . 5 ASP HB3 1 1 7 1495 1 1 5 ASP N N -6.443 -2.720 0.598 1.00 . A A . 5 ASP N 1 1 7 1496 1 1 5 ASP O O -4.007 -4.156 0.811 1.00 . A A . 5 ASP O 1 1 7 1497 1 1 5 ASP OD1 O -5.889 -5.744 -3.020 1.00 . A A . 5 ASP OD1 1 1 7 1498 1 1 5 ASP OD2 O -7.853 -5.434 -2.083 1.00 . A A . 5 ASP OD2 1 1 7 1499 1 1 6 PRO C C -3.000 -7.110 0.426 1.00 . A A . 6 PRO C 1 1 7 1500 1 1 6 PRO CA C -4.142 -6.883 1.411 1.00 . A A . 6 PRO CA 1 1 7 1501 1 1 6 PRO CB C -4.843 -8.206 1.730 1.00 . A A . 6 PRO CB 1 1 7 1502 1 1 6 PRO CD C -6.441 -6.834 0.599 1.00 . A A . 6 PRO CD 1 1 7 1503 1 1 6 PRO CG C -5.999 -8.258 0.790 1.00 . A A . 6 PRO CG 1 1 7 1504 1 1 6 PRO HA H -3.747 -6.449 2.330 1.00 . A A . 6 PRO HA 1 1 7 1505 1 1 6 PRO HB3 H -5.175 -8.205 2.768 1.00 . A A . 6 PRO HB3 1 1 7 1506 1 1 6 PRO HD3 H -7.213 -6.575 1.323 1.00 . A A . 6 PRO HD3 1 1 7 1507 1 1 6 PRO HG3 H -6.804 -8.849 1.226 1.00 . A A . 6 PRO HG3 1 1 7 1508 1 1 6 PRO N N -5.213 -6.060 0.843 1.00 . A A . 6 PRO N 1 1 7 1509 1 1 6 PRO O O -1.857 -7.329 0.827 1.00 . A A . 6 PRO O 1 1 7 1510 1 1 7 ARG C C -1.186 -6.241 -1.774 1.00 . A A . 7 ARG C 1 1 7 1511 1 1 7 ARG CA C -2.317 -7.256 -1.905 1.00 . A A . 7 ARG CA 1 1 7 1512 1 1 7 ARG CB C -2.961 -7.143 -3.288 1.00 . A A . 7 ARG CB 1 1 7 1513 1 1 7 ARG CD C -3.280 -9.469 -4.183 1.00 . A A . 7 ARG CD 1 1 7 1514 1 1 7 ARG CG C -2.469 -8.187 -4.276 1.00 . A A . 7 ARG CG 1 1 7 1515 1 1 7 ARG CZ C -3.045 -11.742 -3.275 1.00 . A A . 7 ARG CZ 1 1 7 1516 1 1 7 ARG H H -4.284 -6.870 -1.131 1.00 . A A . 7 ARG H 1 1 7 1517 1 1 7 ARG HA H -1.906 -8.259 -1.786 1.00 . A A . 7 ARG HA 1 1 7 1518 1 1 7 ARG HB3 H -2.743 -6.157 -3.697 1.00 . A A . 7 ARG HB3 1 1 7 1519 1 1 7 ARG HD3 H -3.486 -9.828 -5.192 1.00 . A A . 7 ARG HD3 1 1 7 1520 1 1 7 ARG HE H -1.668 -10.273 -3.038 1.00 . A A . 7 ARG HE 1 1 7 1521 1 1 7 ARG HG3 H -1.424 -8.412 -4.062 1.00 . A A . 7 ARG HG3 1 1 7 1522 1 1 7 ARG HH11 H -4.760 -11.398 -4.319 1.00 . A A . 7 ARG HH11 1 1 7 1523 1 1 7 ARG HH12 H -4.578 -13.028 -3.660 1.00 . A A . 7 ARG HH12 1 1 7 1524 1 1 7 ARG HH21 H -1.440 -12.378 -2.192 1.00 . A A . 7 ARG HH21 1 1 7 1525 1 1 7 ARG HH22 H -2.707 -13.581 -2.461 1.00 . A A . 7 ARG HH22 1 1 7 1526 1 1 7 ARG N N -3.317 -7.056 -0.863 1.00 . A A . 7 ARG N 1 1 7 1527 1 1 7 ARG NE N -2.573 -10.512 -3.444 1.00 . A A . 7 ARG NE 1 1 7 1528 1 1 7 ARG NH1 N -4.219 -12.082 -3.791 1.00 . A A . 7 ARG NH1 1 1 7 1529 1 1 7 ARG NH2 N -2.343 -12.636 -2.590 1.00 . A A . 7 ARG NH2 1 1 7 1530 1 1 7 ARG O O -0.013 -6.609 -1.697 1.00 . A A . 7 ARG O 1 1 7 1531 1 1 8 CYS C C 0.113 -3.925 -0.263 1.00 . A A . 8 CYS C 1 1 7 1532 1 1 8 CYS CA C -0.560 -3.893 -1.631 1.00 . A A . 8 CYS CA 1 1 7 1533 1 1 8 CYS CB C -1.225 -2.533 -1.854 1.00 . A A . 8 CYS CB 1 1 7 1534 1 1 8 CYS H H -2.533 -4.721 -1.820 1.00 . A A . 8 CYS H 1 1 7 1535 1 1 8 CYS HA H 0.198 -4.047 -2.399 1.00 . A A . 8 CYS HA 1 1 7 1536 1 1 8 CYS HB3 H -0.627 -1.761 -1.369 1.00 . A A . 8 CYS HB3 1 1 7 1537 1 1 8 CYS N N -1.544 -4.962 -1.752 1.00 . A A . 8 CYS N 1 1 7 1538 1 1 8 CYS O O 1.277 -3.548 -0.123 1.00 . A A . 8 CYS O 1 1 7 1539 1 1 8 CYS SG S -1.411 -2.073 -3.606 1.00 . A A . 8 CYS SG 1 1 7 1540 1 1 9 ASN C C 0.982 -5.531 2.204 1.00 . A A . 9 ASN C 1 1 7 1541 1 1 9 ASN CA C -0.100 -4.460 2.102 1.00 . A A . 9 ASN CA 1 1 7 1542 1 1 9 ASN CB C -1.228 -4.763 3.091 1.00 . A A . 9 ASN CB 1 1 7 1543 1 1 9 ASN CG C -1.292 -3.757 4.223 1.00 . A A . 9 ASN CG 1 1 7 1544 1 1 9 ASN H H -1.585 -4.676 0.563 1.00 . A A . 9 ASN H 1 1 7 1545 1 1 9 ASN HA H 0.337 -3.492 2.351 1.00 . A A . 9 ASN HA 1 1 7 1546 1 1 9 ASN HB3 H -1.073 -5.754 3.517 1.00 . A A . 9 ASN HB3 1 1 7 1547 1 1 9 ASN HD21 H -1.966 -2.351 2.937 1.00 . A A . 9 ASN HD21 1 1 7 1548 1 1 9 ASN HD22 H -1.765 -1.839 4.649 1.00 . A A . 9 ASN HD22 1 1 7 1549 1 1 9 ASN N N -0.626 -4.378 0.745 1.00 . A A . 9 ASN N 1 1 7 1550 1 1 9 ASN ND2 N -1.713 -2.537 3.907 1.00 . A A . 9 ASN ND2 1 1 7 1551 1 1 9 ASN O O 2.062 -5.287 2.740 1.00 . A A . 9 ASN O 1 1 7 1552 1 1 9 ASN OD1 O -0.966 -4.071 5.367 1.00 . A A . 9 ASN OD1 1 1 7 1553 1 1 10 TYR C C 2.742 -7.623 0.694 1.00 . A A . 10 TYR C 1 1 7 1554 1 1 10 TYR CA C 1.629 -7.826 1.719 1.00 . A A . 10 TYR CA 1 1 7 1555 1 1 10 TYR CB C 0.907 -9.147 1.450 1.00 . A A . 10 TYR CB 1 1 7 1556 1 1 10 TYR CD1 C 1.609 -10.618 3.378 1.00 . A A . 10 TYR CD1 1 1 7 1557 1 1 10 TYR CD2 C 2.312 -11.228 1.183 1.00 . A A . 10 TYR CD2 1 1 7 1558 1 1 10 TYR CE1 C 2.262 -11.719 3.899 1.00 . A A . 10 TYR CE1 1 1 7 1559 1 1 10 TYR CE2 C 2.967 -12.332 1.695 1.00 . A A . 10 TYR CE2 1 1 7 1560 1 1 10 TYR CG C 1.623 -10.354 2.013 1.00 . A A . 10 TYR CG 1 1 7 1561 1 1 10 TYR CZ C 2.939 -12.573 3.052 1.00 . A A . 10 TYR CZ 1 1 7 1562 1 1 10 TYR H H -0.231 -6.855 1.253 1.00 . A A . 10 TYR H 1 1 7 1563 1 1 10 TYR HA H 2.069 -7.860 2.715 1.00 . A A . 10 TYR HA 1 1 7 1564 1 1 10 TYR HB3 H 0.811 -9.288 0.373 1.00 . A A . 10 TYR HB3 1 1 7 1565 1 1 10 TYR HD1 H 1.079 -9.946 4.037 1.00 . A A . 10 TYR HD1 1 1 7 1566 1 1 10 TYR HD2 H 2.332 -11.036 0.121 1.00 . A A . 10 TYR HD2 1 1 7 1567 1 1 10 TYR HE1 H 2.241 -11.907 4.962 1.00 . A A . 10 TYR HE1 1 1 7 1568 1 1 10 TYR HE2 H 3.496 -13.001 1.033 1.00 . A A . 10 TYR HE2 1 1 7 1569 1 1 10 TYR HH H 3.810 -14.290 2.840 1.00 . A A . 10 TYR HH 1 1 7 1570 1 1 10 TYR N N 0.683 -6.716 1.685 1.00 . A A . 10 TYR N 1 1 7 1571 1 1 10 TYR O O 3.878 -8.047 0.904 1.00 . A A . 10 TYR O 1 1 7 1572 1 1 10 TYR OH O 3.590 -13.670 3.567 1.00 . A A . 10 TYR OH 1 1 7 1573 1 1 11 ALA C C 4.314 -5.572 -1.084 1.00 . A A . 11 ALA C 1 1 7 1574 1 1 11 ALA CA C 3.376 -6.711 -1.470 1.00 . A A . 11 ALA CA 1 1 7 1575 1 1 11 ALA CB C 2.662 -6.388 -2.774 1.00 . A A . 11 ALA CB 1 1 7 1576 1 1 11 ALA H H 1.446 -6.647 -0.528 1.00 . A A . 11 ALA H 1 1 7 1577 1 1 11 ALA HA H 3.963 -7.617 -1.621 1.00 . A A . 11 ALA HA 1 1 7 1578 1 1 11 ALA HB1 H 1.855 -7.103 -2.932 1.00 . A A . 11 ALA HB1 1 1 7 1579 1 1 11 ALA HB2 H 2.250 -5.380 -2.724 1.00 . A A . 11 ALA HB2 1 1 7 1580 1 1 11 ALA HB3 H 3.370 -6.450 -3.601 1.00 . A A . 11 ALA HB3 1 1 7 1581 1 1 11 ALA N N 2.406 -6.972 -0.414 1.00 . A A . 11 ALA N 1 1 7 1582 1 1 11 ALA O O 5.516 -5.628 -1.347 1.00 . A A . 11 ALA O 1 1 7 1583 1 1 12 HIS C C 4.466 -3.199 1.479 1.00 . A A . 12 HIS C 1 1 7 1584 1 1 12 HIS CA C 4.548 -3.388 -0.033 1.00 . A A . 12 HIS CA 1 1 7 1585 1 1 12 HIS CB C 4.078 -2.079 -0.666 1.00 . A A . 12 HIS CB 1 1 7 1586 1 1 12 HIS CD2 C 2.291 -1.691 -2.504 1.00 . A A . 12 HIS CD2 1 1 7 1587 1 1 12 HIS CE1 C 3.087 -3.061 -4.018 1.00 . A A . 12 HIS CE1 1 1 7 1588 1 1 12 HIS CG C 3.407 -2.260 -1.992 1.00 . A A . 12 HIS CG 1 1 7 1589 1 1 12 HIS H H 2.758 -4.554 -0.266 1.00 . A A . 12 HIS H 1 1 7 1590 1 1 12 HIS HA H 5.586 -3.575 -0.308 1.00 . A A . 12 HIS HA 1 1 7 1591 1 1 12 HIS HB3 H 4.937 -1.423 -0.811 1.00 . A A . 12 HIS HB3 1 1 7 1592 1 1 12 HIS HD2 H 1.657 -0.967 -2.013 1.00 . A A . 12 HIS HD2 1 1 7 1593 1 1 12 HIS HE1 H 3.211 -3.622 -4.933 1.00 . A A . 12 HIS HE1 1 1 7 1594 1 1 12 HIS HE2 H 1.354 -1.964 -4.401 1.00 . A A . 12 HIS HE2 1 1 7 1595 1 1 12 HIS N N 3.760 -4.540 -0.457 1.00 . A A . 12 HIS N 1 1 7 1596 1 1 12 HIS ND1 N 3.881 -3.114 -2.966 1.00 . A A . 12 HIS ND1 1 1 7 1597 1 1 12 HIS NE2 N 2.113 -2.205 -3.765 1.00 . A A . 12 HIS NE2 1 1 7 1598 1 1 12 HIS O O 3.937 -2.206 1.976 1.00 . A A . 12 HIS O 1 1 7 1599 1 1 13 PRO C C 5.934 -3.069 4.247 1.00 . A A . 13 PRO C 1 1 7 1600 1 1 13 PRO CA C 5.000 -4.140 3.693 1.00 . A A . 13 PRO CA 1 1 7 1601 1 1 13 PRO CB C 5.495 -5.535 4.082 1.00 . A A . 13 PRO CB 1 1 7 1602 1 1 13 PRO CD C 5.647 -5.390 1.701 1.00 . A A . 13 PRO CD 1 1 7 1603 1 1 13 PRO CG C 6.300 -5.991 2.915 1.00 . A A . 13 PRO CG 1 1 7 1604 1 1 13 PRO HA H 3.996 -3.985 4.089 1.00 . A A . 13 PRO HA 1 1 7 1605 1 1 13 PRO HB3 H 4.642 -6.191 4.258 1.00 . A A . 13 PRO HB3 1 1 7 1606 1 1 13 PRO HD3 H 4.908 -6.076 1.288 1.00 . A A . 13 PRO HD3 1 1 7 1607 1 1 13 PRO HG3 H 6.282 -7.079 2.854 1.00 . A A . 13 PRO HG3 1 1 7 1608 1 1 13 PRO N N 5.000 -4.176 2.227 1.00 . A A . 13 PRO N 1 1 7 1609 1 1 13 PRO O O 5.657 -2.468 5.284 1.00 . A A . 13 PRO O 1 1 7 1610 1 1 14 ALA C C 7.358 -0.473 4.144 1.00 . A A . 14 ALA C 1 1 7 1611 1 1 14 ALA CA C 8.014 -1.838 3.970 1.00 . A A . 14 ALA CA 1 1 7 1612 1 1 14 ALA CB C 9.154 -1.755 2.965 1.00 . A A . 14 ALA CB 1 1 7 1613 1 1 14 ALA H H 7.212 -3.371 2.698 1.00 . A A . 14 ALA H 1 1 7 1614 1 1 14 ALA HA H 8.428 -2.154 4.927 1.00 . A A . 14 ALA HA 1 1 7 1615 1 1 14 ALA HB1 H 9.140 -0.777 2.484 1.00 . A A . 14 ALA HB1 1 1 7 1616 1 1 14 ALA HB2 H 10.104 -1.894 3.482 1.00 . A A . 14 ALA HB2 1 1 7 1617 1 1 14 ALA HB3 H 9.032 -2.534 2.213 1.00 . A A . 14 ALA HB3 1 1 7 1618 1 1 14 ALA N N 7.040 -2.837 3.549 1.00 . A A . 14 ALA N 1 1 7 1619 1 1 14 ALA O O 7.572 0.206 5.150 1.00 . A A . 14 ALA O 1 1 7 1620 1 1 15 ILE C C 4.628 1.199 2.325 1.00 . A A . 15 ILE C 1 1 7 1621 1 1 15 ILE CA C 5.875 1.211 3.203 1.00 . A A . 15 ILE CA 1 1 7 1622 1 1 15 ILE CB C 6.796 2.358 2.750 1.00 . A A . 15 ILE CB 1 1 7 1623 1 1 15 ILE CD1 C 8.454 3.050 0.946 1.00 . A A . 15 ILE CD1 1 1 7 1624 1 1 15 ILE CG1 C 7.596 1.941 1.513 1.00 . A A . 15 ILE CG1 1 1 7 1625 1 1 15 ILE CG2 C 7.732 2.763 3.879 1.00 . A A . 15 ILE CG2 1 1 7 1626 1 1 15 ILE H H 6.426 -0.683 2.351 1.00 . A A . 15 ILE H 1 1 7 1627 1 1 15 ILE HA H 5.578 1.397 4.235 1.00 . A A . 15 ILE HA 1 1 7 1628 1 1 15 ILE HB H 6.174 3.217 2.499 1.00 . A A . 15 ILE HB 1 1 7 1629 1 1 15 ILE HD11 H 8.190 3.216 -0.099 1.00 . A A . 15 ILE HD11 1 1 7 1630 1 1 15 ILE HD12 H 8.287 3.966 1.513 1.00 . A A . 15 ILE HD12 1 1 7 1631 1 1 15 ILE HD13 H 9.504 2.768 1.013 1.00 . A A . 15 ILE HD13 1 1 7 1632 1 1 15 ILE HG13 H 6.904 1.621 0.735 1.00 . A A . 15 ILE HG13 1 1 7 1633 1 1 15 ILE HG21 H 7.964 3.825 3.796 1.00 . A A . 15 ILE HG21 1 1 7 1634 1 1 15 ILE HG22 H 7.248 2.573 4.837 1.00 . A A . 15 ILE HG22 1 1 7 1635 1 1 15 ILE HG23 H 8.653 2.184 3.815 1.00 . A A . 15 ILE HG23 1 1 7 1636 1 1 15 ILE N N 6.561 -0.074 3.158 1.00 . A A . 15 ILE N 1 1 7 1637 1 1 15 ILE O O 4.687 0.842 1.148 1.00 . A A . 15 ILE O 1 1 7 1638 1 1 16 CYS C C 2.170 2.852 1.266 1.00 . A A . 16 CYS C 1 1 7 1639 1 1 16 CYS CA C 2.236 1.629 2.177 1.00 . A A . 16 CYS CA 1 1 7 1640 1 1 16 CYS CB C 1.059 1.643 3.153 1.00 . A A . 16 CYS CB 1 1 7 1641 1 1 16 CYS H H 3.516 1.876 3.885 1.00 . A A . 16 CYS H 1 1 7 1642 1 1 16 CYS HA H 2.179 0.731 1.562 1.00 . A A . 16 CYS HA 1 1 7 1643 1 1 16 CYS HB3 H 1.045 2.598 3.679 1.00 . A A . 16 CYS HB3 1 1 7 1644 1 1 16 CYS N N 3.499 1.593 2.905 1.00 . A A . 16 CYS N 1 1 7 1645 1 1 16 CYS O O 1.280 3.692 1.400 1.00 . A A . 16 CYS O 1 1 7 1646 1 1 16 CYS SG S -0.566 1.419 2.363 1.00 . A A . 16 CYS SG 1 1 7 1647 1 1 17 GLY C C 2.039 4.002 -1.614 1.00 . A A . 17 GLY C 1 1 7 1648 1 1 17 GLY CA C 3.148 4.067 -0.582 1.00 . A A . 17 GLY CA 1 1 7 1649 1 1 17 GLY H H 3.829 2.217 0.274 1.00 . A A . 17 GLY H 1 1 7 1650 1 1 17 GLY HA2 H 3.048 4.992 -0.013 1.00 . A A . 17 GLY HA2 1 1 7 1651 1 1 17 GLY HA3 H 4.108 4.074 -1.099 1.00 . A A . 17 GLY HA3 1 1 7 1652 1 1 17 GLY N N 3.117 2.945 0.338 1.00 . A A . 17 GLY N 1 1 7 1653 1 1 17 GLY O O 1.501 5.030 -2.022 1.00 . A A . 17 GLY O 1 1 7 1654 1 1 18 GLY C C -0.644 3.299 -2.624 1.00 . A A . 18 GLY C 1 1 7 1655 1 1 18 GLY CA C 0.648 2.617 -3.025 1.00 . A A . 18 GLY CA 1 1 7 1656 1 1 18 GLY H H 2.180 1.973 -1.662 1.00 . A A . 18 GLY H 1 1 7 1657 1 1 18 GLY HA2 H 0.986 3.032 -3.974 1.00 . A A . 18 GLY HA2 1 1 7 1658 1 1 18 GLY HA3 H 0.458 1.552 -3.155 1.00 . A A . 18 GLY HA3 1 1 7 1659 1 1 18 GLY N N 1.697 2.789 -2.038 1.00 . A A . 18 GLY N 1 1 7 1660 1 1 18 GLY O O -1.452 3.665 -3.477 1.00 . A A . 18 GLY O 1 1 7 1661 1 1 19 ALA C C -2.225 5.502 -1.410 1.00 . A A . 19 ALA C 1 1 7 1662 1 1 19 ALA CA C -2.046 4.112 -0.807 1.00 . A A . 19 ALA CA 1 1 7 1663 1 1 19 ALA CB C -1.993 4.196 0.711 1.00 . A A . 19 ALA CB 1 1 7 1664 1 1 19 ALA H H -0.133 3.144 -0.664 1.00 . A A . 19 ALA H 1 1 7 1665 1 1 19 ALA HA H -2.901 3.495 -1.083 1.00 . A A . 19 ALA HA 1 1 7 1666 1 1 19 ALA HB1 H -2.143 5.229 1.022 1.00 . A A . 19 ALA HB1 1 1 7 1667 1 1 19 ALA HB2 H -2.778 3.571 1.137 1.00 . A A . 19 ALA HB2 1 1 7 1668 1 1 19 ALA HB3 H -1.020 3.848 1.060 1.00 . A A . 19 ALA HB3 1 1 7 1669 1 1 19 ALA N N -0.842 3.469 -1.321 1.00 . A A . 19 ALA N 1 1 7 1670 1 1 19 ALA O O -3.348 5.957 -1.619 1.00 . A A . 19 ALA O 1 1 7 1671 1 1 20 ALA C C -1.957 7.526 -3.555 1.00 . A A . 20 ALA C 1 1 7 1672 1 1 20 ALA CA C -1.144 7.507 -2.265 1.00 . A A . 20 ALA CA 1 1 7 1673 1 1 20 ALA CB C 0.270 8.007 -2.523 1.00 . A A . 20 ALA CB 1 1 7 1674 1 1 20 ALA H H -0.209 5.736 -1.489 1.00 . A A . 20 ALA H 1 1 7 1675 1 1 20 ALA HA H -1.613 8.174 -1.542 1.00 . A A . 20 ALA HA 1 1 7 1676 1 1 20 ALA HB1 H 0.266 9.097 -2.564 1.00 . A A . 20 ALA HB1 1 1 7 1677 1 1 20 ALA HB2 H 0.925 7.675 -1.718 1.00 . A A . 20 ALA HB2 1 1 7 1678 1 1 20 ALA HB3 H 0.628 7.610 -3.473 1.00 . A A . 20 ALA HB3 1 1 7 1679 1 1 20 ALA N N -1.110 6.170 -1.686 1.00 . A A . 20 ALA N 1 1 7 1680 1 1 20 ALA O O -2.727 8.454 -3.802 1.00 . A A . 20 ALA O 1 1 7 1681 1 1 21 GLY C C -3.981 6.127 -5.431 1.00 . A A . 21 GLY C 1 1 7 1682 1 1 21 GLY CA C -2.505 6.412 -5.630 1.00 . A A . 21 GLY CA 1 1 7 1683 1 1 21 GLY H H -1.130 5.753 -4.116 1.00 . A A . 21 GLY H 1 1 7 1684 1 1 21 GLY HA2 H -2.397 7.357 -6.162 1.00 . A A . 21 GLY HA2 1 1 7 1685 1 1 21 GLY HA3 H -2.072 5.617 -6.235 1.00 . A A . 21 GLY HA3 1 1 7 1686 1 1 21 GLY N N -1.782 6.493 -4.375 1.00 . A A . 21 GLY N 1 1 7 1687 1 1 21 GLY O O -4.833 6.771 -6.041 1.00 . A A . 21 GLY O 1 1 7 1688 1 1 22 GLY C C -5.827 3.977 -3.052 1.00 . A A . 22 GLY C 1 1 7 1689 1 1 22 GLY CA C -5.668 4.802 -4.314 1.00 . A A . 22 GLY CA 1 1 7 1690 1 1 22 GLY H H -3.533 4.656 -4.099 1.00 . A A . 22 GLY H 1 1 7 1691 1 1 22 GLY HA2 H -6.252 5.717 -4.214 1.00 . A A . 22 GLY HA2 1 1 7 1692 1 1 22 GLY HA3 H -6.050 4.229 -5.158 1.00 . A A . 22 GLY HA3 1 1 7 1693 1 1 22 GLY N N -4.284 5.156 -4.575 1.00 . A A . 22 GLY N 1 1 7 1694 1 1 22 GLY O O -5.385 4.384 -1.977 1.00 . A A . 22 GLY O 1 1 8 1695 1 1 1 GLY C C -6.123 0.708 -1.594 1.00 . A A . 1 GLY C 1 1 8 1696 1 1 1 GLY CA C -6.996 1.911 -1.891 1.00 . A A . 1 GLY CA 1 1 8 1697 1 1 1 GLY H1 H -6.619 1.932 -3.817 1.00 . A A . 1 GLY H1 1 1 8 1698 1 1 1 GLY HA2 H -6.959 2.593 -1.041 1.00 . A A . 1 GLY HA2 1 1 8 1699 1 1 1 GLY HA3 H -8.023 1.575 -2.030 1.00 . A A . 1 GLY HA3 1 1 8 1700 1 1 1 GLY N N -6.572 2.624 -3.082 1.00 . A A . 1 GLY N 1 1 8 1701 1 1 1 GLY O O -6.627 -0.382 -1.320 1.00 . A A . 1 GLY O 1 1 8 1702 1 1 2 CYS C C -3.822 -0.510 0.102 1.00 . A A . 2 CYS C 1 1 8 1703 1 1 2 CYS CA C -3.864 -0.174 -1.387 1.00 . A A . 2 CYS CA 1 1 8 1704 1 1 2 CYS CB C -2.467 0.215 -1.873 1.00 . A A . 2 CYS CB 1 1 8 1705 1 1 2 CYS H H -4.454 1.831 -1.882 1.00 . A A . 2 CYS H 1 1 8 1706 1 1 2 CYS HA H -4.199 -1.054 -1.935 1.00 . A A . 2 CYS HA 1 1 8 1707 1 1 2 CYS HB3 H -1.724 -0.228 -1.210 1.00 . A A . 2 CYS HB3 1 1 8 1708 1 1 2 CYS N N -4.810 0.904 -1.650 1.00 . A A . 2 CYS N 1 1 8 1709 1 1 2 CYS O O -3.824 -1.680 0.486 1.00 . A A . 2 CYS O 1 1 8 1710 1 1 2 CYS SG S -2.092 -0.327 -3.571 1.00 . A A . 2 CYS SG 1 1 8 1711 1 1 3 CYS C C -4.962 -0.432 2.868 1.00 . A A . 3 CYS C 1 1 8 1712 1 1 3 CYS CA C -3.740 0.342 2.380 1.00 . A A . 3 CYS CA 1 1 8 1713 1 1 3 CYS CB C -3.668 1.698 3.085 1.00 . A A . 3 CYS CB 1 1 8 1714 1 1 3 CYS H H -3.783 1.471 0.553 1.00 . A A . 3 CYS H 1 1 8 1715 1 1 3 CYS HA H -2.843 -0.231 2.619 1.00 . A A . 3 CYS HA 1 1 8 1716 1 1 3 CYS HB3 H -4.168 1.624 4.051 1.00 . A A . 3 CYS HB3 1 1 8 1717 1 1 3 CYS N N -3.784 0.525 0.934 1.00 . A A . 3 CYS N 1 1 8 1718 1 1 3 CYS O O -4.880 -1.206 3.821 1.00 . A A . 3 CYS O 1 1 8 1719 1 1 3 CYS SG S -1.971 2.292 3.383 1.00 . A A . 3 CYS SG 1 1 8 1720 1 1 4 SER C C -7.306 -2.352 2.141 1.00 . A A . 4 SER C 1 1 8 1721 1 1 4 SER CA C -7.335 -0.889 2.573 1.00 . A A . 4 SER CA 1 1 8 1722 1 1 4 SER CB C -8.532 -0.181 1.938 1.00 . A A . 4 SER CB 1 1 8 1723 1 1 4 SER H H -6.096 0.440 1.424 1.00 . A A . 4 SER H 1 1 8 1724 1 1 4 SER HA H -7.430 -0.845 3.658 1.00 . A A . 4 SER HA 1 1 8 1725 1 1 4 SER HB3 H -8.847 -0.731 1.052 1.00 . A A . 4 SER HB3 1 1 8 1726 1 1 4 SER HG H -10.373 0.350 2.413 1.00 . A A . 4 SER HG 1 1 8 1727 1 1 4 SER N N -6.095 -0.216 2.206 1.00 . A A . 4 SER N 1 1 8 1728 1 1 4 SER O O -7.861 -3.221 2.815 1.00 . A A . 4 SER O 1 1 8 1729 1 1 4 SER OG O -9.620 -0.109 2.842 1.00 . A A . 4 SER OG 1 1 8 1730 1 1 5 ASP C C -5.346 -4.694 1.081 1.00 . A A . 5 ASP C 1 1 8 1731 1 1 5 ASP CA C -6.554 -3.974 0.489 1.00 . A A . 5 ASP CA 1 1 8 1732 1 1 5 ASP CB C -6.452 -3.949 -1.036 1.00 . A A . 5 ASP CB 1 1 8 1733 1 1 5 ASP CG C -7.064 -5.179 -1.677 1.00 . A A . 5 ASP CG 1 1 8 1734 1 1 5 ASP H H -6.217 -1.852 0.501 1.00 . A A . 5 ASP H 1 1 8 1735 1 1 5 ASP HA H -7.457 -4.512 0.775 1.00 . A A . 5 ASP HA 1 1 8 1736 1 1 5 ASP HB3 H -5.401 -3.896 -1.323 1.00 . A A . 5 ASP HB3 1 1 8 1737 1 1 5 ASP N N -6.656 -2.617 1.013 1.00 . A A . 5 ASP N 1 1 8 1738 1 1 5 ASP O O -4.264 -4.126 1.231 1.00 . A A . 5 ASP O 1 1 8 1739 1 1 5 ASP OD1 O -8.265 -5.138 -2.013 1.00 . A A . 5 ASP OD1 1 1 8 1740 1 1 5 ASP OD2 O -6.339 -6.183 -1.844 1.00 . A A . 5 ASP OD2 1 1 8 1741 1 1 6 PRO C C -3.375 -7.133 1.000 1.00 . A A . 6 PRO C 1 1 8 1742 1 1 6 PRO CA C -4.470 -6.802 2.009 1.00 . A A . 6 PRO CA 1 1 8 1743 1 1 6 PRO CB C -5.204 -8.076 2.436 1.00 . A A . 6 PRO CB 1 1 8 1744 1 1 6 PRO CD C -6.796 -6.720 1.278 1.00 . A A . 6 PRO CD 1 1 8 1745 1 1 6 PRO CG C -6.395 -8.144 1.544 1.00 . A A . 6 PRO CG 1 1 8 1746 1 1 6 PRO HA H -4.025 -6.327 2.883 1.00 . A A . 6 PRO HA 1 1 8 1747 1 1 6 PRO HB3 H -5.495 -7.998 3.484 1.00 . A A . 6 PRO HB3 1 1 8 1748 1 1 6 PRO HD3 H -7.531 -6.387 2.011 1.00 . A A . 6 PRO HD3 1 1 8 1749 1 1 6 PRO HG3 H -7.204 -8.676 2.046 1.00 . A A . 6 PRO HG3 1 1 8 1750 1 1 6 PRO N N -5.533 -5.977 1.427 1.00 . A A . 6 PRO N 1 1 8 1751 1 1 6 PRO O O -2.225 -7.364 1.372 1.00 . A A . 6 PRO O 1 1 8 1752 1 1 7 ARG C C -1.618 -6.475 -1.316 1.00 . A A . 7 ARG C 1 1 8 1753 1 1 7 ARG CA C -2.788 -7.453 -1.340 1.00 . A A . 7 ARG CA 1 1 8 1754 1 1 7 ARG CB C -3.480 -7.404 -2.703 1.00 . A A . 7 ARG CB 1 1 8 1755 1 1 7 ARG CD C -1.733 -7.956 -4.424 1.00 . A A . 7 ARG CD 1 1 8 1756 1 1 7 ARG CG C -2.968 -8.446 -3.684 1.00 . A A . 7 ARG CG 1 1 8 1757 1 1 7 ARG CZ C 0.571 -8.726 -4.800 1.00 . A A . 7 ARG CZ 1 1 8 1758 1 1 7 ARG H H -4.710 -6.951 -0.522 1.00 . A A . 7 ARG H 1 1 8 1759 1 1 7 ARG HA H -2.407 -8.461 -1.172 1.00 . A A . 7 ARG HA 1 1 8 1760 1 1 7 ARG HB3 H -3.324 -6.417 -3.141 1.00 . A A . 7 ARG HB3 1 1 8 1761 1 1 7 ARG HD3 H -1.560 -6.911 -4.163 1.00 . A A . 7 ARG HD3 1 1 8 1762 1 1 7 ARG HE H -0.584 -9.310 -3.240 1.00 . A A . 7 ARG HE 1 1 8 1763 1 1 7 ARG HG3 H -3.751 -8.666 -4.409 1.00 . A A . 7 ARG HG3 1 1 8 1764 1 1 7 ARG HH11 H -0.145 -7.421 -6.189 1.00 . A A . 7 ARG HH11 1 1 8 1765 1 1 7 ARG HH12 H 1.511 -7.983 -6.447 1.00 . A A . 7 ARG HH12 1 1 8 1766 1 1 7 ARG HH21 H 1.552 -10.031 -3.580 1.00 . A A . 7 ARG HH21 1 1 8 1767 1 1 7 ARG HH22 H 2.467 -9.455 -4.977 1.00 . A A . 7 ARG HH22 1 1 8 1768 1 1 7 ARG N N -3.740 -7.152 -0.278 1.00 . A A . 7 ARG N 1 1 8 1769 1 1 7 ARG NE N -0.545 -8.733 -4.080 1.00 . A A . 7 ARG NE 1 1 8 1770 1 1 7 ARG NH1 N 0.652 -7.987 -5.897 1.00 . A A . 7 ARG NH1 1 1 8 1771 1 1 7 ARG NH2 N 1.610 -9.461 -4.423 1.00 . A A . 7 ARG NH2 1 1 8 1772 1 1 7 ARG O O -0.456 -6.880 -1.257 1.00 . A A . 7 ARG O 1 1 8 1773 1 1 8 CYS C C -0.182 -4.118 -0.004 1.00 . A A . 8 CYS C 1 1 8 1774 1 1 8 CYS CA C -0.907 -4.147 -1.346 1.00 . A A . 8 CYS CA 1 1 8 1775 1 1 8 CYS CB C -1.533 -2.780 -1.631 1.00 . A A . 8 CYS CB 1 1 8 1776 1 1 8 CYS H H -2.914 -4.913 -1.410 1.00 . A A . 8 CYS H 1 1 8 1777 1 1 8 CYS HA H -0.186 -4.377 -2.130 1.00 . A A . 8 CYS HA 1 1 8 1778 1 1 8 CYS HB3 H -0.893 -2.002 -1.213 1.00 . A A . 8 CYS HB3 1 1 8 1779 1 1 8 CYS N N -1.931 -5.184 -1.362 1.00 . A A . 8 CYS N 1 1 8 1780 1 1 8 CYS O O 0.997 -3.775 0.069 1.00 . A A . 8 CYS O 1 1 8 1781 1 1 8 CYS SG S -1.760 -2.420 -3.402 1.00 . A A . 8 CYS SG 1 1 8 1782 1 1 9 ASN C C 0.726 -5.595 2.527 1.00 . A A . 9 ASN C 1 1 8 1783 1 1 9 ASN CA C -0.324 -4.496 2.396 1.00 . A A . 9 ASN CA 1 1 8 1784 1 1 9 ASN CB C -1.422 -4.697 3.443 1.00 . A A . 9 ASN CB 1 1 8 1785 1 1 9 ASN CG C -1.287 -3.744 4.615 1.00 . A A . 9 ASN CG 1 1 8 1786 1 1 9 ASN H H -1.872 -4.754 0.930 1.00 . A A . 9 ASN H 1 1 8 1787 1 1 9 ASN HA H 0.155 -3.532 2.566 1.00 . A A . 9 ASN HA 1 1 8 1788 1 1 9 ASN HB3 H -1.373 -5.719 3.820 1.00 . A A . 9 ASN HB3 1 1 8 1789 1 1 9 ASN HD21 H -1.315 -2.174 3.343 1.00 . A A . 9 ASN HD21 1 1 8 1790 1 1 9 ASN HD22 H -1.159 -1.786 5.091 1.00 . A A . 9 ASN HD22 1 1 8 1791 1 1 9 ASN N N -0.898 -4.480 1.056 1.00 . A A . 9 ASN N 1 1 8 1792 1 1 9 ASN ND2 N -1.250 -2.450 4.322 1.00 . A A . 9 ASN ND2 1 1 8 1793 1 1 9 ASN O O 1.835 -5.357 3.004 1.00 . A A . 9 ASN O 1 1 8 1794 1 1 9 ASN OD1 O -1.215 -4.168 5.768 1.00 . A A . 9 ASN OD1 1 1 8 1795 1 1 10 TYR C C 2.355 -7.841 1.091 1.00 . A A . 10 TYR C 1 1 8 1796 1 1 10 TYR CA C 1.277 -7.938 2.166 1.00 . A A . 10 TYR CA 1 1 8 1797 1 1 10 TYR CB C 0.502 -9.247 2.010 1.00 . A A . 10 TYR CB 1 1 8 1798 1 1 10 TYR CD1 C 1.242 -11.571 1.356 1.00 . A A . 10 TYR CD1 1 1 8 1799 1 1 10 TYR CD2 C 2.263 -10.560 3.257 1.00 . A A . 10 TYR CD2 1 1 8 1800 1 1 10 TYR CE1 C 2.016 -12.701 1.536 1.00 . A A . 10 TYR CE1 1 1 8 1801 1 1 10 TYR CE2 C 3.041 -11.685 3.444 1.00 . A A . 10 TYR CE2 1 1 8 1802 1 1 10 TYR CG C 1.352 -10.482 2.211 1.00 . A A . 10 TYR CG 1 1 8 1803 1 1 10 TYR CZ C 2.915 -12.753 2.582 1.00 . A A . 10 TYR CZ 1 1 8 1804 1 1 10 TYR H H -0.567 -6.934 1.710 1.00 . A A . 10 TYR H 1 1 8 1805 1 1 10 TYR HA H 1.756 -7.925 3.145 1.00 . A A . 10 TYR HA 1 1 8 1806 1 1 10 TYR HB3 H 0.077 -9.293 1.007 1.00 . A A . 10 TYR HB3 1 1 8 1807 1 1 10 TYR HD1 H 0.538 -11.528 0.538 1.00 . A A . 10 TYR HD1 1 1 8 1808 1 1 10 TYR HD2 H 2.359 -9.721 3.931 1.00 . A A . 10 TYR HD2 1 1 8 1809 1 1 10 TYR HE1 H 1.917 -13.539 0.861 1.00 . A A . 10 TYR HE1 1 1 8 1810 1 1 10 TYR HE2 H 3.744 -11.725 4.263 1.00 . A A . 10 TYR HE2 1 1 8 1811 1 1 10 TYR HH H 4.422 -13.671 3.380 1.00 . A A . 10 TYR HH 1 1 8 1812 1 1 10 TYR N N 0.368 -6.801 2.097 1.00 . A A . 10 TYR N 1 1 8 1813 1 1 10 TYR O O 3.483 -8.291 1.284 1.00 . A A . 10 TYR O 1 1 8 1814 1 1 10 TYR OH O 3.687 -13.877 2.766 1.00 . A A . 10 TYR OH 1 1 8 1815 1 1 11 ALA C C 3.925 -5.964 -0.871 1.00 . A A . 11 ALA C 1 1 8 1816 1 1 11 ALA CA C 2.933 -7.088 -1.150 1.00 . A A . 11 ALA CA 1 1 8 1817 1 1 11 ALA CB C 2.180 -6.821 -2.444 1.00 . A A . 11 ALA CB 1 1 8 1818 1 1 11 ALA H H 1.045 -6.896 -0.142 1.00 . A A . 11 ALA H 1 1 8 1819 1 1 11 ALA HA H 3.482 -8.023 -1.264 1.00 . A A . 11 ALA HA 1 1 8 1820 1 1 11 ALA HB1 H 2.852 -6.959 -3.290 1.00 . A A . 11 ALA HB1 1 1 8 1821 1 1 11 ALA HB2 H 1.343 -7.515 -2.527 1.00 . A A . 11 ALA HB2 1 1 8 1822 1 1 11 ALA HB3 H 1.804 -5.798 -2.441 1.00 . A A . 11 ALA HB3 1 1 8 1823 1 1 11 ALA N N 1.997 -7.248 -0.044 1.00 . A A . 11 ALA N 1 1 8 1824 1 1 11 ALA O O 5.113 -6.080 -1.175 1.00 . A A . 11 ALA O 1 1 8 1825 1 1 12 HIS C C 4.256 -3.441 1.525 1.00 . A A . 12 HIS C 1 1 8 1826 1 1 12 HIS CA C 4.274 -3.727 0.027 1.00 . A A . 12 HIS CA 1 1 8 1827 1 1 12 HIS CB C 3.825 -2.444 -0.671 1.00 . A A . 12 HIS CB 1 1 8 1828 1 1 12 HIS CD2 C 1.986 -2.106 -2.470 1.00 . A A . 12 HIS CD2 1 1 8 1829 1 1 12 HIS CE1 C 2.675 -3.600 -3.918 1.00 . A A . 12 HIS CE1 1 1 8 1830 1 1 12 HIS CG C 3.100 -2.683 -1.960 1.00 . A A . 12 HIS CG 1 1 8 1831 1 1 12 HIS H H 2.436 -4.839 -0.066 1.00 . A A . 12 HIS H 1 1 8 1832 1 1 12 HIS HA H 5.293 -3.969 -0.272 1.00 . A A . 12 HIS HA 1 1 8 1833 1 1 12 HIS HB3 H 4.701 -1.831 -0.888 1.00 . A A . 12 HIS HB3 1 1 8 1834 1 1 12 HIS HD2 H 1.398 -1.328 -2.005 1.00 . A A . 12 HIS HD2 1 1 8 1835 1 1 12 HIS HE1 H 2.745 -4.224 -4.797 1.00 . A A . 12 HIS HE1 1 1 8 1836 1 1 12 HIS HE2 H 0.970 -2.465 -4.310 1.00 . A A . 12 HIS HE2 1 1 8 1837 1 1 12 HIS N N 3.430 -4.874 -0.292 1.00 . A A . 12 HIS N 1 1 8 1838 1 1 12 HIS ND1 N 3.507 -3.616 -2.892 1.00 . A A . 12 HIS ND1 1 1 8 1839 1 1 12 HIS NE2 N 1.744 -2.693 -3.686 1.00 . A A . 12 HIS NE2 1 1 8 1840 1 1 12 HIS O O 3.781 -2.398 1.976 1.00 . A A . 12 HIS O 1 1 8 1841 1 1 13 PRO C C 5.832 -3.190 4.225 1.00 . A A . 13 PRO C 1 1 8 1842 1 1 13 PRO CA C 4.841 -4.258 3.775 1.00 . A A . 13 PRO CA 1 1 8 1843 1 1 13 PRO CB C 5.301 -5.643 4.235 1.00 . A A . 13 PRO CB 1 1 8 1844 1 1 13 PRO CD C 5.368 -5.654 1.846 1.00 . A A . 13 PRO CD 1 1 8 1845 1 1 13 PRO CG C 6.045 -6.201 3.071 1.00 . A A . 13 PRO CG 1 1 8 1846 1 1 13 PRO HA H 3.859 -4.041 4.196 1.00 . A A . 13 PRO HA 1 1 8 1847 1 1 13 PRO HB3 H 4.433 -6.254 4.484 1.00 . A A . 13 PRO HB3 1 1 8 1848 1 1 13 PRO HD3 H 4.589 -6.338 1.506 1.00 . A A . 13 PRO HD3 1 1 8 1849 1 1 13 PRO HG3 H 5.986 -7.289 3.083 1.00 . A A . 13 PRO HG3 1 1 8 1850 1 1 13 PRO N N 4.784 -4.386 2.315 1.00 . A A . 13 PRO N 1 1 8 1851 1 1 13 PRO O O 5.617 -2.514 5.230 1.00 . A A . 13 PRO O 1 1 8 1852 1 1 14 ALA C C 7.340 -0.658 3.904 1.00 . A A . 14 ALA C 1 1 8 1853 1 1 14 ALA CA C 7.941 -2.056 3.794 1.00 . A A . 14 ALA CA 1 1 8 1854 1 1 14 ALA CB C 9.043 -2.078 2.745 1.00 . A A . 14 ALA CB 1 1 8 1855 1 1 14 ALA H H 7.038 -3.636 2.651 1.00 . A A . 14 ALA H 1 1 8 1856 1 1 14 ALA HA H 8.382 -2.328 4.754 1.00 . A A . 14 ALA HA 1 1 8 1857 1 1 14 ALA HB1 H 8.976 -1.180 2.130 1.00 . A A . 14 ALA HB1 1 1 8 1858 1 1 14 ALA HB2 H 10.015 -2.108 3.239 1.00 . A A . 14 ALA HB2 1 1 8 1859 1 1 14 ALA HB3 H 8.927 -2.959 2.114 1.00 . A A . 14 ALA HB3 1 1 8 1860 1 1 14 ALA N N 6.918 -3.044 3.474 1.00 . A A . 14 ALA N 1 1 8 1861 1 1 14 ALA O O 7.614 0.072 4.856 1.00 . A A . 14 ALA O 1 1 8 1862 1 1 15 ILE C C 4.601 0.995 2.083 1.00 . A A . 15 ILE C 1 1 8 1863 1 1 15 ILE CA C 5.881 1.016 2.911 1.00 . A A . 15 ILE CA 1 1 8 1864 1 1 15 ILE CB C 6.824 2.098 2.353 1.00 . A A . 15 ILE CB 1 1 8 1865 1 1 15 ILE CD1 C 8.430 2.616 0.449 1.00 . A A . 15 ILE CD1 1 1 8 1866 1 1 15 ILE CG1 C 7.557 1.576 1.116 1.00 . A A . 15 ILE CG1 1 1 8 1867 1 1 15 ILE CG2 C 7.817 2.536 3.418 1.00 . A A . 15 ILE CG2 1 1 8 1868 1 1 15 ILE H H 6.334 -0.947 2.163 1.00 . A A . 15 ILE H 1 1 8 1869 1 1 15 ILE HA H 5.630 1.277 3.940 1.00 . A A . 15 ILE HA 1 1 8 1870 1 1 15 ILE HB H 6.223 2.962 2.073 1.00 . A A . 15 ILE HB 1 1 8 1871 1 1 15 ILE HD11 H 7.846 3.517 0.261 1.00 . A A . 15 ILE HD11 1 1 8 1872 1 1 15 ILE HD12 H 9.272 2.856 1.098 1.00 . A A . 15 ILE HD12 1 1 8 1873 1 1 15 ILE HD13 H 8.803 2.222 -0.497 1.00 . A A . 15 ILE HD13 1 1 8 1874 1 1 15 ILE HG13 H 6.824 1.236 0.385 1.00 . A A . 15 ILE HG13 1 1 8 1875 1 1 15 ILE HG21 H 7.319 2.570 4.388 1.00 . A A . 15 ILE HG21 1 1 8 1876 1 1 15 ILE HG22 H 8.642 1.826 3.459 1.00 . A A . 15 ILE HG22 1 1 8 1877 1 1 15 ILE HG23 H 8.201 3.526 3.173 1.00 . A A . 15 ILE HG23 1 1 8 1878 1 1 15 ILE N N 6.520 -0.294 2.924 1.00 . A A . 15 ILE N 1 1 8 1879 1 1 15 ILE O O 4.603 0.564 0.929 1.00 . A A . 15 ILE O 1 1 8 1880 1 1 16 CYS C C 2.162 2.668 1.010 1.00 . A A . 16 CYS C 1 1 8 1881 1 1 16 CYS CA C 2.222 1.503 1.993 1.00 . A A . 16 CYS CA 1 1 8 1882 1 1 16 CYS CB C 1.085 1.619 3.011 1.00 . A A . 16 CYS CB 1 1 8 1883 1 1 16 CYS H H 3.574 1.809 3.636 1.00 . A A . 16 CYS H 1 1 8 1884 1 1 16 CYS HA H 2.109 0.571 1.440 1.00 . A A . 16 CYS HA 1 1 8 1885 1 1 16 CYS HB3 H 1.124 2.604 3.476 1.00 . A A . 16 CYS HB3 1 1 8 1886 1 1 16 CYS N N 3.509 1.466 2.677 1.00 . A A . 16 CYS N 1 1 8 1887 1 1 16 CYS O O 1.308 3.546 1.124 1.00 . A A . 16 CYS O 1 1 8 1888 1 1 16 CYS SG S -0.577 1.408 2.295 1.00 . A A . 16 CYS SG 1 1 8 1889 1 1 17 GLY C C 1.959 3.642 -1.929 1.00 . A A . 17 GLY C 1 1 8 1890 1 1 17 GLY CA C 3.108 3.730 -0.945 1.00 . A A . 17 GLY CA 1 1 8 1891 1 1 17 GLY H H 3.758 1.912 0.001 1.00 . A A . 17 GLY H 1 1 8 1892 1 1 17 GLY HA2 H 3.061 4.691 -0.433 1.00 . A A . 17 GLY HA2 1 1 8 1893 1 1 17 GLY HA3 H 4.047 3.669 -1.495 1.00 . A A . 17 GLY HA3 1 1 8 1894 1 1 17 GLY N N 3.075 2.668 0.044 1.00 . A A . 17 GLY N 1 1 8 1895 1 1 17 GLY O O 1.440 4.662 -2.382 1.00 . A A . 17 GLY O 1 1 8 1896 1 1 18 GLY C C -0.783 2.977 -2.795 1.00 . A A . 18 GLY C 1 1 8 1897 1 1 18 GLY CA C 0.469 2.224 -3.200 1.00 . A A . 18 GLY CA 1 1 8 1898 1 1 18 GLY H H 2.030 1.609 -1.856 1.00 . A A . 18 GLY H 1 1 8 1899 1 1 18 GLY HA2 H 0.784 2.567 -4.185 1.00 . A A . 18 GLY HA2 1 1 8 1900 1 1 18 GLY HA3 H 0.237 1.160 -3.253 1.00 . A A . 18 GLY HA3 1 1 8 1901 1 1 18 GLY N N 1.560 2.418 -2.264 1.00 . A A . 18 GLY N 1 1 8 1902 1 1 18 GLY O O -1.609 3.320 -3.640 1.00 . A A . 18 GLY O 1 1 8 1903 1 1 19 ALA C C -2.238 5.306 -1.663 1.00 . A A . 19 ALA C 1 1 8 1904 1 1 19 ALA CA C -2.085 3.950 -0.984 1.00 . A A . 19 ALA CA 1 1 8 1905 1 1 19 ALA CB C -1.973 4.122 0.523 1.00 . A A . 19 ALA CB 1 1 8 1906 1 1 19 ALA H H -0.204 2.919 -0.849 1.00 . A A . 19 ALA H 1 1 8 1907 1 1 19 ALA HA H -2.971 3.349 -1.190 1.00 . A A . 19 ALA HA 1 1 8 1908 1 1 19 ALA HB1 H -2.759 3.547 1.014 1.00 . A A . 19 ALA HB1 1 1 8 1909 1 1 19 ALA HB2 H -0.998 3.767 0.859 1.00 . A A . 19 ALA HB2 1 1 8 1910 1 1 19 ALA HB3 H -2.082 5.175 0.778 1.00 . A A . 19 ALA HB3 1 1 8 1911 1 1 19 ALA N N -0.925 3.233 -1.499 1.00 . A A . 19 ALA N 1 1 8 1912 1 1 19 ALA O O -3.352 5.791 -1.858 1.00 . A A . 19 ALA O 1 1 8 1913 1 1 20 ALA C C -1.983 7.186 -3.938 1.00 . A A . 20 ALA C 1 1 8 1914 1 1 20 ALA CA C -1.121 7.214 -2.680 1.00 . A A . 20 ALA CA 1 1 8 1915 1 1 20 ALA CB C 0.299 7.643 -3.021 1.00 . A A . 20 ALA CB 1 1 8 1916 1 1 20 ALA H H -0.219 5.457 -1.832 1.00 . A A . 20 ALA H 1 1 8 1917 1 1 20 ALA HA H -1.537 7.941 -1.983 1.00 . A A . 20 ALA HA 1 1 8 1918 1 1 20 ALA HB1 H 0.369 8.730 -2.976 1.00 . A A . 20 ALA HB1 1 1 8 1919 1 1 20 ALA HB2 H 0.993 7.204 -2.304 1.00 . A A . 20 ALA HB2 1 1 8 1920 1 1 20 ALA HB3 H 0.550 7.304 -4.026 1.00 . A A . 20 ALA HB3 1 1 8 1921 1 1 20 ALA N N -1.112 5.913 -2.021 1.00 . A A . 20 ALA N 1 1 8 1922 1 1 20 ALA O O -2.730 8.123 -4.211 1.00 . A A . 20 ALA O 1 1 8 1923 1 1 21 GLY C C -4.122 5.751 -5.651 1.00 . A A . 21 GLY C 1 1 8 1924 1 1 21 GLY CA C -2.648 5.974 -5.922 1.00 . A A . 21 GLY CA 1 1 8 1925 1 1 21 GLY H H -1.235 5.357 -4.424 1.00 . A A . 21 GLY H 1 1 8 1926 1 1 21 GLY HA2 H -2.529 6.883 -6.512 1.00 . A A . 21 GLY HA2 1 1 8 1927 1 1 21 GLY HA3 H -2.264 5.130 -6.494 1.00 . A A . 21 GLY HA3 1 1 8 1928 1 1 21 GLY N N -1.873 6.103 -4.702 1.00 . A A . 21 GLY N 1 1 8 1929 1 1 21 GLY O O -4.976 6.401 -6.254 1.00 . A A . 21 GLY O 1 1 8 1930 1 1 22 GLY C C -5.943 3.806 -3.091 1.00 . A A . 22 GLY C 1 1 8 1931 1 1 22 GLY CA C -5.806 4.536 -4.412 1.00 . A A . 22 GLY CA 1 1 8 1932 1 1 22 GLY H H -3.671 4.322 -4.276 1.00 . A A . 22 GLY H 1 1 8 1933 1 1 22 GLY HA2 H -6.360 5.474 -4.356 1.00 . A A . 22 GLY HA2 1 1 8 1934 1 1 22 GLY HA3 H -6.234 3.920 -5.202 1.00 . A A . 22 GLY HA3 1 1 8 1935 1 1 22 GLY N N -4.423 4.828 -4.743 1.00 . A A . 22 GLY N 1 1 8 1936 1 1 22 GLY O O -5.447 4.266 -2.064 1.00 . A A . 22 GLY O 1 1 9 1937 1 1 1 GLY C C -5.135 1.029 -1.494 1.00 . A A . 1 GLY C 1 1 9 1938 1 1 1 GLY CA C -5.982 2.253 -1.781 1.00 . A A . 1 GLY CA 1 1 9 1939 1 1 1 GLY H1 H -5.686 2.221 -3.721 1.00 . A A . 1 GLY H1 1 1 9 1940 1 1 1 GLY HA2 H -5.888 2.951 -0.949 1.00 . A A . 1 GLY HA2 1 1 9 1941 1 1 1 GLY HA3 H -7.024 1.947 -1.868 1.00 . A A . 1 GLY HA3 1 1 9 1942 1 1 1 GLY N N -5.587 2.926 -3.005 1.00 . A A . 1 GLY N 1 1 9 1943 1 1 1 GLY O O -5.660 -0.034 -1.160 1.00 . A A . 1 GLY O 1 1 9 1944 1 1 2 CYS C C -2.788 -0.219 0.115 1.00 . A A . 2 CYS C 1 1 9 1945 1 1 2 CYS CA C -2.900 0.074 -1.378 1.00 . A A . 2 CYS CA 1 1 9 1946 1 1 2 CYS CB C -1.518 0.400 -1.949 1.00 . A A . 2 CYS CB 1 1 9 1947 1 1 2 CYS H H -3.448 2.083 -1.903 1.00 . A A . 2 CYS H 1 1 9 1948 1 1 2 CYS HA H -3.291 -0.811 -1.880 1.00 . A A . 2 CYS HA 1 1 9 1949 1 1 2 CYS HB3 H -0.756 -0.066 -1.324 1.00 . A A . 2 CYS HB3 1 1 9 1950 1 1 2 CYS N N -3.821 1.175 -1.624 1.00 . A A . 2 CYS N 1 1 9 1951 1 1 2 CYS O O -2.611 -1.368 0.522 1.00 . A A . 2 CYS O 1 1 9 1952 1 1 2 CYS SG S -1.264 -0.179 -3.658 1.00 . A A . 2 CYS SG 1 1 9 1953 1 1 3 CYS C C -3.887 -0.260 2.896 1.00 . A A . 3 CYS C 1 1 9 1954 1 1 3 CYS CA C -2.806 0.683 2.376 1.00 . A A . 3 CYS CA 1 1 9 1955 1 1 3 CYS CB C -2.938 2.049 3.053 1.00 . A A . 3 CYS CB 1 1 9 1956 1 1 3 CYS H H -3.042 1.754 0.528 1.00 . A A . 3 CYS H 1 1 9 1957 1 1 3 CYS HA H -1.828 0.262 2.612 1.00 . A A . 3 CYS HA 1 1 9 1958 1 1 3 CYS HB3 H -3.340 1.911 4.057 1.00 . A A . 3 CYS HB3 1 1 9 1959 1 1 3 CYS N N -2.895 0.827 0.928 1.00 . A A . 3 CYS N 1 1 9 1960 1 1 3 CYS O O -3.652 -1.042 3.818 1.00 . A A . 3 CYS O 1 1 9 1961 1 1 3 CYS SG S -1.365 2.957 3.205 1.00 . A A . 3 CYS SG 1 1 9 1962 1 1 4 SER C C -6.144 -2.370 1.981 1.00 . A A . 4 SER C 1 1 9 1963 1 1 4 SER CA C -6.190 -1.026 2.703 1.00 . A A . 4 SER CA 1 1 9 1964 1 1 4 SER CB C -7.517 -0.323 2.413 1.00 . A A . 4 SER CB 1 1 9 1965 1 1 4 SER H H -5.202 0.488 1.539 1.00 . A A . 4 SER H 1 1 9 1966 1 1 4 SER HA H -6.106 -1.200 3.776 1.00 . A A . 4 SER HA 1 1 9 1967 1 1 4 SER HB3 H -8.148 -0.979 1.813 1.00 . A A . 4 SER HB3 1 1 9 1968 1 1 4 SER HG H -9.043 0.443 3.402 1.00 . A A . 4 SER HG 1 1 9 1969 1 1 4 SER N N -5.071 -0.182 2.298 1.00 . A A . 4 SER N 1 1 9 1970 1 1 4 SER O O -6.310 -3.423 2.598 1.00 . A A . 4 SER O 1 1 9 1971 1 1 4 SER OG O -8.199 -0.007 3.615 1.00 . A A . 4 SER OG 1 1 9 1972 1 1 5 ASP C C -4.873 -4.538 0.473 1.00 . A A . 5 ASP C 1 1 9 1973 1 1 5 ASP CA C -5.851 -3.537 -0.133 1.00 . A A . 5 ASP CA 1 1 9 1974 1 1 5 ASP CB C -5.432 -3.201 -1.565 1.00 . A A . 5 ASP CB 1 1 9 1975 1 1 5 ASP CG C -5.299 -4.435 -2.435 1.00 . A A . 5 ASP CG 1 1 9 1976 1 1 5 ASP H H -5.790 -1.420 0.222 1.00 . A A . 5 ASP H 1 1 9 1977 1 1 5 ASP HA H -6.845 -3.985 -0.151 1.00 . A A . 5 ASP HA 1 1 9 1978 1 1 5 ASP HB3 H -4.472 -2.686 -1.545 1.00 . A A . 5 ASP HB3 1 1 9 1979 1 1 5 ASP N N -5.919 -2.325 0.674 1.00 . A A . 5 ASP N 1 1 9 1980 1 1 5 ASP O O -3.796 -4.181 0.950 1.00 . A A . 5 ASP O 1 1 9 1981 1 1 5 ASP OD1 O -6.303 -4.829 -3.064 1.00 . A A . 5 ASP OD1 1 1 9 1982 1 1 5 ASP OD2 O -4.190 -5.007 -2.486 1.00 . A A . 5 ASP OD2 1 1 9 1983 1 1 6 PRO C C -3.182 -7.161 0.158 1.00 . A A . 6 PRO C 1 1 9 1984 1 1 6 PRO CA C -4.427 -6.904 1.001 1.00 . A A . 6 PRO CA 1 1 9 1985 1 1 6 PRO CB C -5.358 -8.119 0.965 1.00 . A A . 6 PRO CB 1 1 9 1986 1 1 6 PRO CD C -6.526 -6.323 -0.096 1.00 . A A . 6 PRO CD 1 1 9 1987 1 1 6 PRO CG C -6.335 -7.814 -0.117 1.00 . A A . 6 PRO CG 1 1 9 1988 1 1 6 PRO HA H -4.132 -6.701 2.031 1.00 . A A . 6 PRO HA 1 1 9 1989 1 1 6 PRO HB3 H -5.854 -8.230 1.930 1.00 . A A . 6 PRO HB3 1 1 9 1990 1 1 6 PRO HD3 H -7.362 -6.055 0.550 1.00 . A A . 6 PRO HD3 1 1 9 1991 1 1 6 PRO HG3 H -7.280 -8.319 0.084 1.00 . A A . 6 PRO HG3 1 1 9 1992 1 1 6 PRO N N -5.255 -5.824 0.456 1.00 . A A . 6 PRO N 1 1 9 1993 1 1 6 PRO O O -2.075 -7.267 0.685 1.00 . A A . 6 PRO O 1 1 9 1994 1 1 7 ARG C C -1.152 -6.482 -1.864 1.00 . A A . 7 ARG C 1 1 9 1995 1 1 7 ARG CA C -2.264 -7.507 -2.068 1.00 . A A . 7 ARG CA 1 1 9 1996 1 1 7 ARG CB C -2.753 -7.463 -3.517 1.00 . A A . 7 ARG CB 1 1 9 1997 1 1 7 ARG CD C -3.272 -9.916 -3.677 1.00 . A A . 7 ARG CD 1 1 9 1998 1 1 7 ARG CG C -2.505 -8.751 -4.283 1.00 . A A . 7 ARG CG 1 1 9 1999 1 1 7 ARG CZ C -2.798 -11.859 -2.247 1.00 . A A . 7 ARG CZ 1 1 9 2000 1 1 7 ARG H H -4.315 -7.164 -1.528 1.00 . A A . 7 ARG H 1 1 9 2001 1 1 7 ARG HA H -1.869 -8.501 -1.859 1.00 . A A . 7 ARG HA 1 1 9 2002 1 1 7 ARG HB3 H -2.240 -6.653 -4.037 1.00 . A A . 7 ARG HB3 1 1 9 2003 1 1 7 ARG HD3 H -3.850 -10.403 -4.464 1.00 . A A . 7 ARG HD3 1 1 9 2004 1 1 7 ARG HE H -1.387 -10.835 -3.283 1.00 . A A . 7 ARG HE 1 1 9 2005 1 1 7 ARG HG3 H -1.439 -8.978 -4.260 1.00 . A A . 7 ARG HG3 1 1 9 2006 1 1 7 ARG HH11 H -4.757 -11.309 -2.343 1.00 . A A . 7 ARG HH11 1 1 9 2007 1 1 7 ARG HH12 H -4.402 -12.705 -1.318 1.00 . A A . 7 ARG HH12 1 1 9 2008 1 1 7 ARG HH21 H -0.936 -12.635 -1.959 1.00 . A A . 7 ARG HH21 1 1 9 2009 1 1 7 ARG HH22 H -2.247 -13.452 -1.101 1.00 . A A . 7 ARG HH22 1 1 9 2010 1 1 7 ARG N N -3.372 -7.261 -1.153 1.00 . A A . 7 ARG N 1 1 9 2011 1 1 7 ARG NE N -2.381 -10.899 -3.064 1.00 . A A . 7 ARG NE 1 1 9 2012 1 1 7 ARG NH1 N -4.085 -11.966 -1.945 1.00 . A A . 7 ARG NH1 1 1 9 2013 1 1 7 ARG NH2 N -1.927 -12.715 -1.729 1.00 . A A . 7 ARG NH2 1 1 9 2014 1 1 7 ARG O O 0.017 -6.840 -1.720 1.00 . A A . 7 ARG O 1 1 9 2015 1 1 8 CYS C C 0.059 -4.188 -0.274 1.00 . A A . 8 CYS C 1 1 9 2016 1 1 8 CYS CA C -0.560 -4.129 -1.668 1.00 . A A . 8 CYS CA 1 1 9 2017 1 1 8 CYS CB C -1.232 -2.772 -1.882 1.00 . A A . 8 CYS CB 1 1 9 2018 1 1 8 CYS H H -2.509 -4.975 -1.979 1.00 . A A . 8 CYS H 1 1 9 2019 1 1 8 CYS HA H 0.229 -4.255 -2.408 1.00 . A A . 8 CYS HA 1 1 9 2020 1 1 8 CYS HB3 H -0.709 -2.019 -1.292 1.00 . A A . 8 CYS HB3 1 1 9 2021 1 1 8 CYS N N -1.524 -5.207 -1.853 1.00 . A A . 8 CYS N 1 1 9 2022 1 1 8 CYS O O 1.196 -3.763 -0.070 1.00 . A A . 8 CYS O 1 1 9 2023 1 1 8 CYS SG S -1.239 -2.212 -3.616 1.00 . A A . 8 CYS SG 1 1 9 2024 1 1 9 ASN C C 0.889 -5.873 2.164 1.00 . A A . 9 ASN C 1 1 9 2025 1 1 9 ASN CA C -0.223 -4.834 2.056 1.00 . A A . 9 ASN CA 1 1 9 2026 1 1 9 ASN CB C -1.378 -5.207 2.987 1.00 . A A . 9 ASN CB 1 1 9 2027 1 1 9 ASN CG C -1.399 -4.368 4.249 1.00 . A A . 9 ASN CG 1 1 9 2028 1 1 9 ASN H H -1.631 -5.054 0.449 1.00 . A A . 9 ASN H 1 1 9 2029 1 1 9 ASN HA H 0.174 -3.864 2.355 1.00 . A A . 9 ASN HA 1 1 9 2030 1 1 9 ASN HB3 H -1.284 -6.256 3.270 1.00 . A A . 9 ASN HB3 1 1 9 2031 1 1 9 ASN HD21 H -2.263 -2.852 3.227 1.00 . A A . 9 ASN HD21 1 1 9 2032 1 1 9 ASN HD22 H -1.942 -2.561 4.972 1.00 . A A . 9 ASN HD22 1 1 9 2033 1 1 9 ASN N N -0.697 -4.718 0.682 1.00 . A A . 9 ASN N 1 1 9 2034 1 1 9 ASN ND2 N -1.916 -3.149 4.139 1.00 . A A . 9 ASN ND2 1 1 9 2035 1 1 9 ASN O O 1.946 -5.610 2.736 1.00 . A A . 9 ASN O 1 1 9 2036 1 1 9 ASN OD1 O -0.957 -4.809 5.309 1.00 . A A . 9 ASN OD1 1 1 9 2037 1 1 10 TYR C C 2.757 -7.872 0.660 1.00 . A A . 10 TYR C 1 1 9 2038 1 1 10 TYR CA C 1.620 -8.135 1.643 1.00 . A A . 10 TYR CA 1 1 9 2039 1 1 10 TYR CB C 0.948 -9.470 1.319 1.00 . A A . 10 TYR CB 1 1 9 2040 1 1 10 TYR CD1 C 2.430 -11.503 1.091 1.00 . A A . 10 TYR CD1 1 1 9 2041 1 1 10 TYR CD2 C 1.585 -10.962 3.254 1.00 . A A . 10 TYR CD2 1 1 9 2042 1 1 10 TYR CE1 C 3.088 -12.598 1.616 1.00 . A A . 10 TYR CE1 1 1 9 2043 1 1 10 TYR CE2 C 2.241 -12.054 3.788 1.00 . A A . 10 TYR CE2 1 1 9 2044 1 1 10 TYR CG C 1.667 -10.667 1.898 1.00 . A A . 10 TYR CG 1 1 9 2045 1 1 10 TYR CZ C 2.991 -12.869 2.966 1.00 . A A . 10 TYR CZ 1 1 9 2046 1 1 10 TYR H H -0.255 -7.210 1.148 1.00 . A A . 10 TYR H 1 1 9 2047 1 1 10 TYR HA H 2.031 -8.182 2.652 1.00 . A A . 10 TYR HA 1 1 9 2048 1 1 10 TYR HB3 H 0.908 -9.596 0.237 1.00 . A A . 10 TYR HB3 1 1 9 2049 1 1 10 TYR HD1 H 2.503 -11.287 0.035 1.00 . A A . 10 TYR HD1 1 1 9 2050 1 1 10 TYR HD2 H 0.997 -10.323 3.894 1.00 . A A . 10 TYR HD2 1 1 9 2051 1 1 10 TYR HE1 H 3.675 -13.235 0.973 1.00 . A A . 10 TYR HE1 1 1 9 2052 1 1 10 TYR HE2 H 2.166 -12.267 4.845 1.00 . A A . 10 TYR HE2 1 1 9 2053 1 1 10 TYR HH H 3.678 -13.879 4.469 1.00 . A A . 10 TYR HH 1 1 9 2054 1 1 10 TYR N N 0.642 -7.054 1.609 1.00 . A A . 10 TYR N 1 1 9 2055 1 1 10 TYR O O 3.907 -8.228 0.915 1.00 . A A . 10 TYR O 1 1 9 2056 1 1 10 TYR OH O 3.646 -13.958 3.493 1.00 . A A . 10 TYR OH 1 1 9 2057 1 1 11 ALA C C 4.289 -5.756 -1.062 1.00 . A A . 11 ALA C 1 1 9 2058 1 1 11 ALA CA C 3.417 -6.933 -1.486 1.00 . A A . 11 ALA CA 1 1 9 2059 1 1 11 ALA CB C 2.732 -6.634 -2.812 1.00 . A A . 11 ALA CB 1 1 9 2060 1 1 11 ALA H H 1.452 -6.978 -0.615 1.00 . A A . 11 ALA H 1 1 9 2061 1 1 11 ALA HA H 4.050 -7.810 -1.621 1.00 . A A . 11 ALA HA 1 1 9 2062 1 1 11 ALA HB1 H 3.446 -6.766 -3.625 1.00 . A A . 11 ALA HB1 1 1 9 2063 1 1 11 ALA HB2 H 1.894 -7.316 -2.950 1.00 . A A . 11 ALA HB2 1 1 9 2064 1 1 11 ALA HB3 H 2.369 -5.606 -2.809 1.00 . A A . 11 ALA HB3 1 1 9 2065 1 1 11 ALA N N 2.424 -7.247 -0.465 1.00 . A A . 11 ALA N 1 1 9 2066 1 1 11 ALA O O 5.493 -5.738 -1.317 1.00 . A A . 11 ALA O 1 1 9 2067 1 1 12 HIS C C 4.265 -3.431 1.559 1.00 . A A . 12 HIS C 1 1 9 2068 1 1 12 HIS CA C 4.393 -3.591 0.047 1.00 . A A . 12 HIS CA 1 1 9 2069 1 1 12 HIS CB C 3.871 -2.294 -0.572 1.00 . A A . 12 HIS CB 1 1 9 2070 1 1 12 HIS CD2 C 2.245 -1.916 -2.558 1.00 . A A . 12 HIS CD2 1 1 9 2071 1 1 12 HIS CE1 C 3.206 -3.241 -4.016 1.00 . A A . 12 HIS CE1 1 1 9 2072 1 1 12 HIS CG C 3.326 -2.468 -1.956 1.00 . A A . 12 HIS CG 1 1 9 2073 1 1 12 HIS H H 2.671 -4.847 -0.231 1.00 . A A . 12 HIS H 1 1 9 2074 1 1 12 HIS HA H 5.446 -3.721 -0.205 1.00 . A A . 12 HIS HA 1 1 9 2075 1 1 12 HIS HB3 H 4.684 -1.569 -0.620 1.00 . A A . 12 HIS HB3 1 1 9 2076 1 1 12 HIS HD2 H 1.553 -1.216 -2.114 1.00 . A A . 12 HIS HD2 1 1 9 2077 1 1 12 HIS HE1 H 3.425 -3.784 -4.924 1.00 . A A . 12 HIS HE1 1 1 9 2078 1 1 12 HIS HE2 H 1.487 -2.179 -4.534 1.00 . A A . 12 HIS HE2 1 1 9 2079 1 1 12 HIS N N 3.672 -4.772 -0.412 1.00 . A A . 12 HIS N 1 1 9 2080 1 1 12 HIS ND1 N 3.906 -3.294 -2.896 1.00 . A A . 12 HIS ND1 1 1 9 2081 1 1 12 HIS NE2 N 2.193 -2.412 -3.836 1.00 . A A . 12 HIS NE2 1 1 9 2082 1 1 12 HIS O O 3.641 -2.494 2.058 1.00 . A A . 12 HIS O 1 1 9 2083 1 1 13 PRO C C 5.661 -3.210 4.358 1.00 . A A . 13 PRO C 1 1 9 2084 1 1 13 PRO CA C 4.836 -4.350 3.773 1.00 . A A . 13 PRO CA 1 1 9 2085 1 1 13 PRO CB C 5.445 -5.701 4.155 1.00 . A A . 13 PRO CB 1 1 9 2086 1 1 13 PRO CD C 5.631 -5.511 1.779 1.00 . A A . 13 PRO CD 1 1 9 2087 1 1 13 PRO CG C 6.311 -6.068 3.000 1.00 . A A . 13 PRO CG 1 1 9 2088 1 1 13 PRO HA H 3.815 -4.290 4.150 1.00 . A A . 13 PRO HA 1 1 9 2089 1 1 13 PRO HB3 H 4.652 -6.432 4.306 1.00 . A A . 13 PRO HB3 1 1 9 2090 1 1 13 PRO HD3 H 4.963 -6.254 1.344 1.00 . A A . 13 PRO HD3 1 1 9 2091 1 1 13 PRO HG3 H 6.389 -7.153 2.926 1.00 . A A . 13 PRO HG3 1 1 9 2092 1 1 13 PRO N N 4.869 -4.366 2.307 1.00 . A A . 13 PRO N 1 1 9 2093 1 1 13 PRO O O 5.325 -2.664 5.409 1.00 . A A . 13 PRO O 1 1 9 2094 1 1 14 ALA C C 6.866 -0.447 4.165 1.00 . A A . 14 ALA C 1 1 9 2095 1 1 14 ALA CA C 7.613 -1.776 4.123 1.00 . A A . 14 ALA CA 1 1 9 2096 1 1 14 ALA CB C 8.834 -1.670 3.220 1.00 . A A . 14 ALA CB 1 1 9 2097 1 1 14 ALA H H 6.967 -3.346 2.807 1.00 . A A . 14 ALA H 1 1 9 2098 1 1 14 ALA HA H 7.956 -2.019 5.128 1.00 . A A . 14 ALA HA 1 1 9 2099 1 1 14 ALA HB1 H 9.391 -2.606 3.253 1.00 . A A . 14 ALA HB1 1 1 9 2100 1 1 14 ALA HB2 H 8.513 -1.472 2.197 1.00 . A A . 14 ALA HB2 1 1 9 2101 1 1 14 ALA HB3 H 9.470 -0.855 3.565 1.00 . A A . 14 ALA HB3 1 1 9 2102 1 1 14 ALA N N 6.743 -2.854 3.672 1.00 . A A . 14 ALA N 1 1 9 2103 1 1 14 ALA O O 6.926 0.278 5.158 1.00 . A A . 14 ALA O 1 1 9 2104 1 1 15 ILE C C 4.292 1.000 1.959 1.00 . A A . 15 ILE C 1 1 9 2105 1 1 15 ILE CA C 5.407 1.108 2.993 1.00 . A A . 15 ILE CA 1 1 9 2106 1 1 15 ILE CB C 6.315 2.298 2.631 1.00 . A A . 15 ILE CB 1 1 9 2107 1 1 15 ILE CD1 C 7.733 3.014 0.643 1.00 . A A . 15 ILE CD1 1 1 9 2108 1 1 15 ILE CG1 C 7.333 1.885 1.567 1.00 . A A . 15 ILE CG1 1 1 9 2109 1 1 15 ILE CG2 C 7.020 2.823 3.872 1.00 . A A . 15 ILE CG2 1 1 9 2110 1 1 15 ILE H H 6.157 -0.779 2.290 1.00 . A A . 15 ILE H 1 1 9 2111 1 1 15 ILE HA H 4.964 1.299 3.971 1.00 . A A . 15 ILE HA 1 1 9 2112 1 1 15 ILE HB H 5.688 3.096 2.235 1.00 . A A . 15 ILE HB 1 1 9 2113 1 1 15 ILE HD11 H 7.407 2.786 -0.372 1.00 . A A . 15 ILE HD11 1 1 9 2114 1 1 15 ILE HD12 H 7.266 3.941 0.977 1.00 . A A . 15 ILE HD12 1 1 9 2115 1 1 15 ILE HD13 H 8.817 3.128 0.658 1.00 . A A . 15 ILE HD13 1 1 9 2116 1 1 15 ILE HG13 H 6.907 1.088 0.958 1.00 . A A . 15 ILE HG13 1 1 9 2117 1 1 15 ILE HG21 H 7.998 2.350 3.962 1.00 . A A . 15 ILE HG21 1 1 9 2118 1 1 15 ILE HG22 H 7.146 3.903 3.790 1.00 . A A . 15 ILE HG22 1 1 9 2119 1 1 15 ILE HG23 H 6.424 2.592 4.755 1.00 . A A . 15 ILE HG23 1 1 9 2120 1 1 15 ILE N N 6.166 -0.134 3.080 1.00 . A A . 15 ILE N 1 1 9 2121 1 1 15 ILE O O 4.534 0.653 0.802 1.00 . A A . 15 ILE O 1 1 9 2122 1 1 16 CYS C C 1.669 2.591 0.827 1.00 . A A . 16 CYS C 1 1 9 2123 1 1 16 CYS CA C 1.914 1.239 1.493 1.00 . A A . 16 CYS CA 1 1 9 2124 1 1 16 CYS CB C 0.669 0.807 2.269 1.00 . A A . 16 CYS CB 1 1 9 2125 1 1 16 CYS H H 2.933 1.581 3.353 1.00 . A A . 16 CYS H 1 1 9 2126 1 1 16 CYS HA H 2.125 0.500 0.720 1.00 . A A . 16 CYS HA 1 1 9 2127 1 1 16 CYS HB3 H 0.834 -0.191 2.676 1.00 . A A . 16 CYS HB3 1 1 9 2128 1 1 16 CYS N N 3.068 1.300 2.382 1.00 . A A . 16 CYS N 1 1 9 2129 1 1 16 CYS O O 0.536 3.064 0.761 1.00 . A A . 16 CYS O 1 1 9 2130 1 1 16 CYS SG S 0.235 1.909 3.652 1.00 . A A . 16 CYS SG 1 1 9 2131 1 1 17 GLY C C 1.603 4.481 -1.446 1.00 . A A . 17 GLY C 1 1 9 2132 1 1 17 GLY CA C 2.619 4.494 -0.320 1.00 . A A . 17 GLY CA 1 1 9 2133 1 1 17 GLY H H 3.654 2.761 0.418 1.00 . A A . 17 GLY H 1 1 9 2134 1 1 17 GLY HA2 H 2.319 5.238 0.418 1.00 . A A . 17 GLY HA2 1 1 9 2135 1 1 17 GLY HA3 H 3.591 4.774 -0.727 1.00 . A A . 17 GLY HA3 1 1 9 2136 1 1 17 GLY N N 2.740 3.205 0.334 1.00 . A A . 17 GLY N 1 1 9 2137 1 1 17 GLY O O 1.068 5.523 -1.820 1.00 . A A . 17 GLY O 1 1 9 2138 1 1 18 GLY C C -0.955 3.806 -2.742 1.00 . A A . 18 GLY C 1 1 9 2139 1 1 18 GLY CA C 0.384 3.174 -3.074 1.00 . A A . 18 GLY CA 1 1 9 2140 1 1 18 GLY H H 1.816 2.466 -1.637 1.00 . A A . 18 GLY H 1 1 9 2141 1 1 18 GLY HA2 H 0.792 3.660 -3.960 1.00 . A A . 18 GLY HA2 1 1 9 2142 1 1 18 GLY HA3 H 0.229 2.117 -3.289 1.00 . A A . 18 GLY HA3 1 1 9 2143 1 1 18 GLY N N 1.340 3.296 -1.989 1.00 . A A . 18 GLY N 1 1 9 2144 1 1 18 GLY O O -1.719 4.165 -3.637 1.00 . A A . 18 GLY O 1 1 9 2145 1 1 19 ALA C C -2.701 5.910 -1.621 1.00 . A A . 19 ALA C 1 1 9 2146 1 1 19 ALA CA C -2.494 4.532 -1.002 1.00 . A A . 19 ALA CA 1 1 9 2147 1 1 19 ALA CB C -2.521 4.622 0.516 1.00 . A A . 19 ALA CB 1 1 9 2148 1 1 19 ALA H H -0.562 3.621 -0.757 1.00 . A A . 19 ALA H 1 1 9 2149 1 1 19 ALA HA H -3.306 3.877 -1.318 1.00 . A A . 19 ALA HA 1 1 9 2150 1 1 19 ALA HB1 H -1.502 4.693 0.894 1.00 . A A . 19 ALA HB1 1 1 9 2151 1 1 19 ALA HB2 H -3.083 5.507 0.817 1.00 . A A . 19 ALA HB2 1 1 9 2152 1 1 19 ALA HB3 H -3.000 3.732 0.924 1.00 . A A . 19 ALA HB3 1 1 9 2153 1 1 19 ALA N N -1.239 3.940 -1.450 1.00 . A A . 19 ALA N 1 1 9 2154 1 1 19 ALA O O -3.834 6.336 -1.843 1.00 . A A . 19 ALA O 1 1 9 2155 1 1 20 ALA C C -2.476 7.920 -3.779 1.00 . A A . 20 ALA C 1 1 9 2156 1 1 20 ALA CA C -1.664 7.932 -2.489 1.00 . A A . 20 ALA CA 1 1 9 2157 1 1 20 ALA CB C -0.260 8.459 -2.752 1.00 . A A . 20 ALA CB 1 1 9 2158 1 1 20 ALA H H -0.690 6.193 -1.688 1.00 . A A . 20 ALA H 1 1 9 2159 1 1 20 ALA HA H -2.146 8.598 -1.774 1.00 . A A . 20 ALA HA 1 1 9 2160 1 1 20 ALA HB1 H -0.308 9.266 -3.482 1.00 . A A . 20 ALA HB1 1 1 9 2161 1 1 20 ALA HB2 H 0.168 8.834 -1.822 1.00 . A A . 20 ALA HB2 1 1 9 2162 1 1 20 ALA HB3 H 0.364 7.654 -3.141 1.00 . A A . 20 ALA HB3 1 1 9 2163 1 1 20 ALA N N -1.600 6.603 -1.896 1.00 . A A . 20 ALA N 1 1 9 2164 1 1 20 ALA O O -3.412 8.701 -3.942 1.00 . A A . 20 ALA O 1 1 9 2165 1 1 21 GLY C C -4.200 6.330 -5.807 1.00 . A A . 21 GLY C 1 1 9 2166 1 1 21 GLY CA C -2.817 6.932 -5.960 1.00 . A A . 21 GLY CA 1 1 9 2167 1 1 21 GLY H H -1.326 6.406 -4.503 1.00 . A A . 21 GLY H 1 1 9 2168 1 1 21 GLY HA2 H -2.911 7.930 -6.388 1.00 . A A . 21 GLY HA2 1 1 9 2169 1 1 21 GLY HA3 H -2.237 6.308 -6.641 1.00 . A A . 21 GLY HA3 1 1 9 2170 1 1 21 GLY N N -2.111 7.028 -4.696 1.00 . A A . 21 GLY N 1 1 9 2171 1 1 21 GLY O O -5.142 6.740 -6.485 1.00 . A A . 21 GLY O 1 1 9 2172 1 1 22 GLY C C -5.773 4.225 -3.266 1.00 . A A . 22 GLY C 1 1 9 2173 1 1 22 GLY CA C -5.605 4.707 -4.693 1.00 . A A . 22 GLY CA 1 1 9 2174 1 1 22 GLY H H -3.507 5.053 -4.382 1.00 . A A . 22 GLY H 1 1 9 2175 1 1 22 GLY HA2 H -6.400 5.416 -4.921 1.00 . A A . 22 GLY HA2 1 1 9 2176 1 1 22 GLY HA3 H -5.689 3.853 -5.365 1.00 . A A . 22 GLY HA3 1 1 9 2177 1 1 22 GLY N N -4.324 5.351 -4.915 1.00 . A A . 22 GLY N 1 1 9 2178 1 1 22 GLY O O -6.028 5.019 -2.361 1.00 . A A . 22 GLY O 1 1 10 2179 1 1 1 GLY C C -5.173 1.086 -1.365 1.00 . A A . 1 GLY C 1 1 10 2180 1 1 1 GLY CA C -5.993 2.329 -1.653 1.00 . A A . 1 GLY CA 1 1 10 2181 1 1 1 GLY H1 H -5.737 2.261 -3.598 1.00 . A A . 1 GLY H1 1 1 10 2182 1 1 1 GLY HA2 H -5.863 3.036 -0.834 1.00 . A A . 1 GLY HA2 1 1 10 2183 1 1 1 GLY HA3 H -7.044 2.049 -1.716 1.00 . A A . 1 GLY HA3 1 1 10 2184 1 1 1 GLY N N -5.605 2.973 -2.895 1.00 . A A . 1 GLY N 1 1 10 2185 1 1 1 GLY O O -5.720 0.043 -1.007 1.00 . A A . 1 GLY O 1 1 10 2186 1 1 2 CYS C C -2.832 -0.205 0.217 1.00 . A A . 2 CYS C 1 1 10 2187 1 1 2 CYS CA C -2.961 0.074 -1.278 1.00 . A A . 2 CYS CA 1 1 10 2188 1 1 2 CYS CB C -1.582 0.357 -1.876 1.00 . A A . 2 CYS CB 1 1 10 2189 1 1 2 CYS H H -3.466 2.090 -1.820 1.00 . A A . 2 CYS H 1 1 10 2190 1 1 2 CYS HA H -3.385 -0.804 -1.764 1.00 . A A . 2 CYS HA 1 1 10 2191 1 1 2 CYS HB3 H -0.822 -0.122 -1.259 1.00 . A A . 2 CYS HB3 1 1 10 2192 1 1 2 CYS N N -3.858 1.198 -1.521 1.00 . A A . 2 CYS N 1 1 10 2193 1 1 2 CYS O O -2.656 -1.350 0.634 1.00 . A A . 2 CYS O 1 1 10 2194 1 1 2 CYS SG S -1.372 -0.246 -3.581 1.00 . A A . 2 CYS SG 1 1 10 2195 1 1 3 CYS C C -3.893 -0.212 3.012 1.00 . A A . 3 CYS C 1 1 10 2196 1 1 3 CYS CA C -2.816 0.721 2.469 1.00 . A A . 3 CYS CA 1 1 10 2197 1 1 3 CYS CB C -2.932 2.093 3.134 1.00 . A A . 3 CYS CB 1 1 10 2198 1 1 3 CYS H H -3.069 1.774 0.613 1.00 . A A . 3 CYS H 1 1 10 2199 1 1 3 CYS HA H -1.838 0.298 2.697 1.00 . A A . 3 CYS HA 1 1 10 2200 1 1 3 CYS HB3 H -3.321 1.968 4.145 1.00 . A A . 3 CYS HB3 1 1 10 2201 1 1 3 CYS N N -2.921 0.850 1.020 1.00 . A A . 3 CYS N 1 1 10 2202 1 1 3 CYS O O -3.647 -0.992 3.932 1.00 . A A . 3 CYS O 1 1 10 2203 1 1 3 CYS SG S -1.355 2.997 3.254 1.00 . A A . 3 CYS SG 1 1 10 2204 1 1 4 SER C C -6.181 -2.310 2.149 1.00 . A A . 4 SER C 1 1 10 2205 1 1 4 SER CA C -6.205 -0.962 2.863 1.00 . A A . 4 SER CA 1 1 10 2206 1 1 4 SER CB C -7.532 -0.251 2.593 1.00 . A A . 4 SER CB 1 1 10 2207 1 1 4 SER H H -5.228 0.539 1.677 1.00 . A A . 4 SER H 1 1 10 2208 1 1 4 SER HA H -6.104 -1.131 3.936 1.00 . A A . 4 SER HA 1 1 10 2209 1 1 4 SER HB3 H -8.342 -0.981 2.614 1.00 . A A . 4 SER HB3 1 1 10 2210 1 1 4 SER HG H -8.641 1.183 3.374 1.00 . A A . 4 SER HG 1 1 10 2211 1 1 4 SER N N -5.088 -0.127 2.435 1.00 . A A . 4 SER N 1 1 10 2212 1 1 4 SER O O -6.362 -3.357 2.769 1.00 . A A . 4 SER O 1 1 10 2213 1 1 4 SER OG O -7.788 0.743 3.571 1.00 . A A . 4 SER OG 1 1 10 2214 1 1 5 ASP C C -4.944 -4.505 0.648 1.00 . A A . 5 ASP C 1 1 10 2215 1 1 5 ASP CA C -5.909 -3.491 0.038 1.00 . A A . 5 ASP CA 1 1 10 2216 1 1 5 ASP CB C -5.488 -3.168 -1.396 1.00 . A A . 5 ASP CB 1 1 10 2217 1 1 5 ASP CG C -6.092 -4.123 -2.406 1.00 . A A . 5 ASP CG 1 1 10 2218 1 1 5 ASP H H -5.814 -1.372 0.384 1.00 . A A . 5 ASP H 1 1 10 2219 1 1 5 ASP HA H -6.909 -3.923 0.025 1.00 . A A . 5 ASP HA 1 1 10 2220 1 1 5 ASP HB3 H -4.403 -3.227 -1.471 1.00 . A A . 5 ASP HB3 1 1 10 2221 1 1 5 ASP N N -5.957 -2.274 0.839 1.00 . A A . 5 ASP N 1 1 10 2222 1 1 5 ASP O O -3.858 -4.161 1.115 1.00 . A A . 5 ASP O 1 1 10 2223 1 1 5 ASP OD1 O -5.322 -4.828 -3.091 1.00 . A A . 5 ASP OD1 1 1 10 2224 1 1 5 ASP OD2 O -7.336 -4.166 -2.511 1.00 . A A . 5 ASP OD2 1 1 10 2225 1 1 6 PRO C C -3.302 -7.159 0.346 1.00 . A A . 6 PRO C 1 1 10 2226 1 1 6 PRO CA C -4.537 -6.873 1.195 1.00 . A A . 6 PRO CA 1 1 10 2227 1 1 6 PRO CB C -5.489 -8.070 1.175 1.00 . A A . 6 PRO CB 1 1 10 2228 1 1 6 PRO CD C -6.632 -6.265 0.105 1.00 . A A . 6 PRO CD 1 1 10 2229 1 1 6 PRO CG C -6.468 -7.759 0.096 1.00 . A A . 6 PRO CG 1 1 10 2230 1 1 6 PRO HA H -4.230 -6.666 2.220 1.00 . A A . 6 PRO HA 1 1 10 2231 1 1 6 PRO HB3 H -5.981 -8.165 2.143 1.00 . A A . 6 PRO HB3 1 1 10 2232 1 1 6 PRO HD3 H -7.459 -5.977 0.753 1.00 . A A . 6 PRO HD3 1 1 10 2233 1 1 6 PRO HG3 H -7.420 -8.246 0.308 1.00 . A A . 6 PRO HG3 1 1 10 2234 1 1 6 PRO N N -5.350 -5.784 0.645 1.00 . A A . 6 PRO N 1 1 10 2235 1 1 6 PRO O O -2.191 -7.264 0.866 1.00 . A A . 6 PRO O 1 1 10 2236 1 1 7 ARG C C -1.288 -6.535 -1.714 1.00 . A A . 7 ARG C 1 1 10 2237 1 1 7 ARG CA C -2.407 -7.559 -1.881 1.00 . A A . 7 ARG CA 1 1 10 2238 1 1 7 ARG CB C -2.910 -7.548 -3.326 1.00 . A A . 7 ARG CB 1 1 10 2239 1 1 7 ARG CD C -2.645 -9.938 -4.057 1.00 . A A . 7 ARG CD 1 1 10 2240 1 1 7 ARG CG C -3.629 -8.825 -3.730 1.00 . A A . 7 ARG CG 1 1 10 2241 1 1 7 ARG CZ C -1.653 -11.902 -2.961 1.00 . A A . 7 ARG CZ 1 1 10 2242 1 1 7 ARG H H -4.449 -7.185 -1.330 1.00 . A A . 7 ARG H 1 1 10 2243 1 1 7 ARG HA H -2.016 -8.549 -1.648 1.00 . A A . 7 ARG HA 1 1 10 2244 1 1 7 ARG HB3 H -2.058 -7.410 -3.993 1.00 . A A . 7 ARG HB3 1 1 10 2245 1 1 7 ARG HD3 H -1.708 -9.490 -4.388 1.00 . A A . 7 ARG HD3 1 1 10 2246 1 1 7 ARG HE H -2.787 -10.516 -2.008 1.00 . A A . 7 ARG HE 1 1 10 2247 1 1 7 ARG HG3 H -4.242 -8.624 -4.608 1.00 . A A . 7 ARG HG3 1 1 10 2248 1 1 7 ARG HH11 H -1.263 -11.730 -4.952 1.00 . A A . 7 ARG HH11 1 1 10 2249 1 1 7 ARG HH12 H -0.555 -13.138 -4.151 1.00 . A A . 7 ARG HH12 1 1 10 2250 1 1 7 ARG HH21 H -1.871 -12.334 -0.980 1.00 . A A . 7 ARG HH21 1 1 10 2251 1 1 7 ARG HH22 H -0.898 -13.477 -1.911 1.00 . A A . 7 ARG HH22 1 1 10 2252 1 1 7 ARG N N -3.504 -7.284 -0.961 1.00 . A A . 7 ARG N 1 1 10 2253 1 1 7 ARG NE N -2.383 -10.793 -2.903 1.00 . A A . 7 ARG NE 1 1 10 2254 1 1 7 ARG NH1 N -1.116 -12.287 -4.109 1.00 . A A . 7 ARG NH1 1 1 10 2255 1 1 7 ARG NH2 N -1.459 -12.627 -1.866 1.00 . A A . 7 ARG NH2 1 1 10 2256 1 1 7 ARG O O -0.117 -6.895 -1.586 1.00 . A A . 7 ARG O 1 1 10 2257 1 1 8 CYS C C -0.046 -4.214 -0.179 1.00 . A A . 8 CYS C 1 1 10 2258 1 1 8 CYS CA C -0.683 -4.182 -1.565 1.00 . A A . 8 CYS CA 1 1 10 2259 1 1 8 CYS CB C -1.351 -2.826 -1.800 1.00 . A A . 8 CYS CB 1 1 10 2260 1 1 8 CYS H H -2.641 -5.025 -1.825 1.00 . A A . 8 CYS H 1 1 10 2261 1 1 8 CYS HA H 0.096 -4.328 -2.313 1.00 . A A . 8 CYS HA 1 1 10 2262 1 1 8 CYS HB3 H -0.847 -2.072 -1.197 1.00 . A A . 8 CYS HB3 1 1 10 2263 1 1 8 CYS N N -1.655 -5.259 -1.715 1.00 . A A . 8 CYS N 1 1 10 2264 1 1 8 CYS O O 1.096 -3.794 0.001 1.00 . A A . 8 CYS O 1 1 10 2265 1 1 8 CYS SG S -1.312 -2.267 -3.534 1.00 . A A . 8 CYS SG 1 1 10 2266 1 1 9 ASN C C 0.798 -5.854 2.287 1.00 . A A . 9 ASN C 1 1 10 2267 1 1 9 ASN CA C -0.303 -4.804 2.169 1.00 . A A . 9 ASN CA 1 1 10 2268 1 1 9 ASN CB C -1.450 -5.143 3.123 1.00 . A A . 9 ASN CB 1 1 10 2269 1 1 9 ASN CG C -1.586 -4.133 4.246 1.00 . A A . 9 ASN CG 1 1 10 2270 1 1 9 ASN H H -1.734 -5.050 0.584 1.00 . A A . 9 ASN H 1 1 10 2271 1 1 9 ASN HA H 0.107 -3.831 2.440 1.00 . A A . 9 ASN HA 1 1 10 2272 1 1 9 ASN HB3 H -1.273 -6.126 3.561 1.00 . A A . 9 ASN HB3 1 1 10 2273 1 1 9 ASN HD21 H -1.524 -2.626 2.901 1.00 . A A . 9 ASN HD21 1 1 10 2274 1 1 9 ASN HD22 H -1.691 -2.151 4.627 1.00 . A A . 9 ASN HD22 1 1 10 2275 1 1 9 ASN N N -0.794 -4.717 0.798 1.00 . A A . 9 ASN N 1 1 10 2276 1 1 9 ASN ND2 N -1.602 -2.853 3.892 1.00 . A A . 9 ASN ND2 1 1 10 2277 1 1 9 ASN O O 1.866 -5.589 2.839 1.00 . A A . 9 ASN O 1 1 10 2278 1 1 9 ASN OD1 O -1.675 -4.500 5.417 1.00 . A A . 9 ASN OD1 1 1 10 2279 1 1 10 TYR C C 2.623 -7.909 0.808 1.00 . A A . 10 TYR C 1 1 10 2280 1 1 10 TYR CA C 1.497 -8.136 1.812 1.00 . A A . 10 TYR CA 1 1 10 2281 1 1 10 TYR CB C 0.806 -9.470 1.528 1.00 . A A . 10 TYR CB 1 1 10 2282 1 1 10 TYR CD1 C 2.102 -10.884 3.170 1.00 . A A . 10 TYR CD1 1 1 10 2283 1 1 10 TYR CD2 C 2.002 -11.604 0.900 1.00 . A A . 10 TYR CD2 1 1 10 2284 1 1 10 TYR CE1 C 2.876 -11.982 3.490 1.00 . A A . 10 TYR CE1 1 1 10 2285 1 1 10 TYR CE2 C 2.773 -12.707 1.211 1.00 . A A . 10 TYR CE2 1 1 10 2286 1 1 10 TYR CG C 1.652 -10.675 1.872 1.00 . A A . 10 TYR CG 1 1 10 2287 1 1 10 TYR CZ C 3.208 -12.891 2.507 1.00 . A A . 10 TYR CZ 1 1 10 2288 1 1 10 TYR H H -0.375 -7.202 1.319 1.00 . A A . 10 TYR H 1 1 10 2289 1 1 10 TYR HA H 1.921 -8.163 2.815 1.00 . A A . 10 TYR HA 1 1 10 2290 1 1 10 TYR HB3 H 0.560 -9.525 0.467 1.00 . A A . 10 TYR HB3 1 1 10 2291 1 1 10 TYR HD1 H 1.840 -10.170 3.938 1.00 . A A . 10 TYR HD1 1 1 10 2292 1 1 10 TYR HD2 H 1.660 -11.456 -0.114 1.00 . A A . 10 TYR HD2 1 1 10 2293 1 1 10 TYR HE1 H 3.216 -12.128 4.504 1.00 . A A . 10 TYR HE1 1 1 10 2294 1 1 10 TYR HE2 H 3.035 -13.417 0.441 1.00 . A A . 10 TYR HE2 1 1 10 2295 1 1 10 TYR HH H 3.926 -14.644 2.093 1.00 . A A . 10 TYR HH 1 1 10 2296 1 1 10 TYR N N 0.530 -7.045 1.763 1.00 . A A . 10 TYR N 1 1 10 2297 1 1 10 TYR O O 3.772 -8.276 1.053 1.00 . A A . 10 TYR O 1 1 10 2298 1 1 10 TYR OH O 3.979 -13.988 2.820 1.00 . A A . 10 TYR OH 1 1 10 2299 1 1 11 ALA C C 4.156 -5.847 -0.982 1.00 . A A . 11 ALA C 1 1 10 2300 1 1 11 ALA CA C 3.266 -7.024 -1.367 1.00 . A A . 11 ALA CA 1 1 10 2301 1 1 11 ALA CB C 2.568 -6.749 -2.691 1.00 . A A . 11 ALA CB 1 1 10 2302 1 1 11 ALA H H 1.313 -7.023 -0.469 1.00 . A A . 11 ALA H 1 1 10 2303 1 1 11 ALA HA H 3.887 -7.911 -1.489 1.00 . A A . 11 ALA HA 1 1 10 2304 1 1 11 ALA HB1 H 1.740 -7.447 -2.815 1.00 . A A . 11 ALA HB1 1 1 10 2305 1 1 11 ALA HB2 H 2.187 -5.728 -2.695 1.00 . A A . 11 ALA HB2 1 1 10 2306 1 1 11 ALA HB3 H 3.277 -6.878 -3.508 1.00 . A A . 11 ALA HB3 1 1 10 2307 1 1 11 ALA N N 2.284 -7.302 -0.326 1.00 . A A . 11 ALA N 1 1 10 2308 1 1 11 ALA O O 5.356 -5.846 -1.258 1.00 . A A . 11 ALA O 1 1 10 2309 1 1 12 HIS C C 4.193 -3.464 1.590 1.00 . A A . 12 HIS C 1 1 10 2310 1 1 12 HIS CA C 4.300 -3.661 0.080 1.00 . A A . 12 HIS CA 1 1 10 2311 1 1 12 HIS CB C 3.784 -2.373 -0.562 1.00 . A A . 12 HIS CB 1 1 10 2312 1 1 12 HIS CD2 C 2.158 -2.013 -2.549 1.00 . A A . 12 HIS CD2 1 1 10 2313 1 1 12 HIS CE1 C 3.089 -3.390 -3.979 1.00 . A A . 12 HIS CE1 1 1 10 2314 1 1 12 HIS CG C 3.231 -2.570 -1.939 1.00 . A A . 12 HIS CG 1 1 10 2315 1 1 12 HIS H H 2.562 -4.905 -0.143 1.00 . A A . 12 HIS H 1 1 10 2316 1 1 12 HIS HA H 5.347 -3.810 -0.181 1.00 . A A . 12 HIS HA 1 1 10 2317 1 1 12 HIS HB3 H 4.602 -1.655 -0.628 1.00 . A A . 12 HIS HB3 1 1 10 2318 1 1 12 HIS HD2 H 1.481 -1.288 -2.122 1.00 . A A . 12 HIS HD2 1 1 10 2319 1 1 12 HIS HE1 H 3.293 -3.958 -4.874 1.00 . A A . 12 HIS HE1 1 1 10 2320 1 1 12 HIS HE2 H 1.388 -2.309 -4.518 1.00 . A A . 12 HIS HE2 1 1 10 2321 1 1 12 HIS N N 3.560 -4.845 -0.343 1.00 . A A . 12 HIS N 1 1 10 2322 1 1 12 HIS ND1 N 3.791 -3.429 -2.860 1.00 . A A . 12 HIS ND1 1 1 10 2323 1 1 12 HIS NE2 N 2.092 -2.539 -3.816 1.00 . A A . 12 HIS NE2 1 1 10 2324 1 1 12 HIS O O 3.589 -2.507 2.075 1.00 . A A . 12 HIS O 1 1 10 2325 1 1 13 PRO C C 5.627 -3.200 4.366 1.00 . A A . 13 PRO C 1 1 10 2326 1 1 13 PRO CA C 4.778 -4.341 3.817 1.00 . A A . 13 PRO CA 1 1 10 2327 1 1 13 PRO CB C 5.372 -5.693 4.223 1.00 . A A . 13 PRO CB 1 1 10 2328 1 1 13 PRO CD C 5.531 -5.559 1.842 1.00 . A A . 13 PRO CD 1 1 10 2329 1 1 13 PRO CG C 6.217 -6.098 3.066 1.00 . A A . 13 PRO CG 1 1 10 2330 1 1 13 PRO HA H 3.763 -4.257 4.205 1.00 . A A . 13 PRO HA 1 1 10 2331 1 1 13 PRO HB3 H 4.569 -6.408 4.401 1.00 . A A . 13 PRO HB3 1 1 10 2332 1 1 13 PRO HD3 H 4.847 -6.301 1.431 1.00 . A A . 13 PRO HD3 1 1 10 2333 1 1 13 PRO HG3 H 6.279 -7.185 3.016 1.00 . A A . 13 PRO HG3 1 1 10 2334 1 1 13 PRO N N 4.793 -4.391 2.351 1.00 . A A . 13 PRO N 1 1 10 2335 1 1 13 PRO O O 5.310 -2.622 5.406 1.00 . A A . 13 PRO O 1 1 10 2336 1 1 14 ALA C C 6.869 -0.465 4.110 1.00 . A A . 14 ALA C 1 1 10 2337 1 1 14 ALA CA C 7.599 -1.804 4.077 1.00 . A A . 14 ALA CA 1 1 10 2338 1 1 14 ALA CB C 8.802 -1.727 3.148 1.00 . A A . 14 ALA CB 1 1 10 2339 1 1 14 ALA H H 6.915 -3.395 2.806 1.00 . A A . 14 ALA H 1 1 10 2340 1 1 14 ALA HA H 7.960 -2.035 5.079 1.00 . A A . 14 ALA HA 1 1 10 2341 1 1 14 ALA HB1 H 8.590 -2.282 2.234 1.00 . A A . 14 ALA HB1 1 1 10 2342 1 1 14 ALA HB2 H 9.005 -0.685 2.902 1.00 . A A . 14 ALA HB2 1 1 10 2343 1 1 14 ALA HB3 H 9.671 -2.161 3.642 1.00 . A A . 14 ALA HB3 1 1 10 2344 1 1 14 ALA N N 6.707 -2.878 3.661 1.00 . A A . 14 ALA N 1 1 10 2345 1 1 14 ALA O O 6.956 0.275 5.091 1.00 . A A . 14 ALA O 1 1 10 2346 1 1 15 ILE C C 4.269 0.977 1.931 1.00 . A A . 15 ILE C 1 1 10 2347 1 1 15 ILE CA C 5.405 1.088 2.943 1.00 . A A . 15 ILE CA 1 1 10 2348 1 1 15 ILE CB C 6.320 2.261 2.544 1.00 . A A . 15 ILE CB 1 1 10 2349 1 1 15 ILE CD1 C 7.885 2.965 0.664 1.00 . A A . 15 ILE CD1 1 1 10 2350 1 1 15 ILE CG1 C 7.315 1.819 1.469 1.00 . A A . 15 ILE CG1 1 1 10 2351 1 1 15 ILE CG2 C 7.053 2.799 3.764 1.00 . A A . 15 ILE CG2 1 1 10 2352 1 1 15 ILE H H 6.119 -0.818 2.255 1.00 . A A . 15 ILE H 1 1 10 2353 1 1 15 ILE HA H 4.982 1.300 3.925 1.00 . A A . 15 ILE HA 1 1 10 2354 1 1 15 ILE HB H 5.696 3.060 2.144 1.00 . A A . 15 ILE HB 1 1 10 2355 1 1 15 ILE HD11 H 7.730 3.900 1.202 1.00 . A A . 15 ILE HD11 1 1 10 2356 1 1 15 ILE HD12 H 8.953 2.807 0.509 1.00 . A A . 15 ILE HD12 1 1 10 2357 1 1 15 ILE HD13 H 7.382 3.016 -0.302 1.00 . A A . 15 ILE HD13 1 1 10 2358 1 1 15 ILE HG13 H 6.814 1.140 0.780 1.00 . A A . 15 ILE HG13 1 1 10 2359 1 1 15 ILE HG21 H 7.863 2.119 4.030 1.00 . A A . 15 ILE HG21 1 1 10 2360 1 1 15 ILE HG22 H 7.466 3.782 3.535 1.00 . A A . 15 ILE HG22 1 1 10 2361 1 1 15 ILE HG23 H 6.357 2.882 4.599 1.00 . A A . 15 ILE HG23 1 1 10 2362 1 1 15 ILE N N 6.151 -0.161 3.034 1.00 . A A . 15 ILE N 1 1 10 2363 1 1 15 ILE O O 4.486 0.612 0.776 1.00 . A A . 15 ILE O 1 1 10 2364 1 1 16 CYS C C 1.641 2.579 0.827 1.00 . A A . 16 CYS C 1 1 10 2365 1 1 16 CYS CA C 1.887 1.235 1.507 1.00 . A A . 16 CYS CA 1 1 10 2366 1 1 16 CYS CB C 0.652 0.825 2.312 1.00 . A A . 16 CYS CB 1 1 10 2367 1 1 16 CYS H H 2.944 1.593 3.342 1.00 . A A . 16 CYS H 1 1 10 2368 1 1 16 CYS HA H 2.076 0.483 0.739 1.00 . A A . 16 CYS HA 1 1 10 2369 1 1 16 CYS HB3 H 0.816 -0.167 2.733 1.00 . A A . 16 CYS HB3 1 1 10 2370 1 1 16 CYS N N 3.058 1.298 2.372 1.00 . A A . 16 CYS N 1 1 10 2371 1 1 16 CYS O O 0.512 3.067 0.780 1.00 . A A . 16 CYS O 1 1 10 2372 1 1 16 CYS SG S 0.252 1.952 3.686 1.00 . A A . 16 CYS SG 1 1 10 2373 1 1 17 GLY C C 1.549 4.439 -1.472 1.00 . A A . 17 GLY C 1 1 10 2374 1 1 17 GLY CA C 2.587 4.457 -0.367 1.00 . A A . 17 GLY CA 1 1 10 2375 1 1 17 GLY H H 3.619 2.723 0.372 1.00 . A A . 17 GLY H 1 1 10 2376 1 1 17 GLY HA2 H 2.308 5.213 0.366 1.00 . A A . 17 GLY HA2 1 1 10 2377 1 1 17 GLY HA3 H 3.554 4.721 -0.796 1.00 . A A . 17 GLY HA3 1 1 10 2378 1 1 17 GLY N N 2.707 3.175 0.302 1.00 . A A . 17 GLY N 1 1 10 2379 1 1 17 GLY O O 1.018 5.481 -1.851 1.00 . A A . 17 GLY O 1 1 10 2380 1 1 18 GLY C C -1.040 3.773 -2.708 1.00 . A A . 18 GLY C 1 1 10 2381 1 1 18 GLY CA C 0.284 3.122 -3.057 1.00 . A A . 18 GLY CA 1 1 10 2382 1 1 18 GLY H H 1.736 2.419 -1.637 1.00 . A A . 18 GLY H 1 1 10 2383 1 1 18 GLY HA2 H 0.680 3.590 -3.958 1.00 . A A . 18 GLY HA2 1 1 10 2384 1 1 18 GLY HA3 H 0.113 2.064 -3.253 1.00 . A A . 18 GLY HA3 1 1 10 2385 1 1 18 GLY N N 1.262 3.250 -1.993 1.00 . A A . 18 GLY N 1 1 10 2386 1 1 18 GLY O O -1.816 4.130 -3.594 1.00 . A A . 18 GLY O 1 1 10 2387 1 1 19 ALA C C -2.740 5.915 -1.580 1.00 . A A . 19 ALA C 1 1 10 2388 1 1 19 ALA CA C -2.539 4.540 -0.950 1.00 . A A . 19 ALA CA 1 1 10 2389 1 1 19 ALA CB C -2.539 4.647 0.567 1.00 . A A . 19 ALA CB 1 1 10 2390 1 1 19 ALA H H -0.614 3.611 -0.728 1.00 . A A . 19 ALA H 1 1 10 2391 1 1 19 ALA HA H -3.365 3.893 -1.245 1.00 . A A . 19 ALA HA 1 1 10 2392 1 1 19 ALA HB1 H -3.119 5.519 0.868 1.00 . A A . 19 ALA HB1 1 1 10 2393 1 1 19 ALA HB2 H -2.984 3.748 0.995 1.00 . A A . 19 ALA HB2 1 1 10 2394 1 1 19 ALA HB3 H -1.514 4.751 0.924 1.00 . A A . 19 ALA HB3 1 1 10 2395 1 1 19 ALA N N -1.300 3.927 -1.414 1.00 . A A . 19 ALA N 1 1 10 2396 1 1 19 ALA O O -3.871 6.347 -1.799 1.00 . A A . 19 ALA O 1 1 10 2397 1 1 20 ALA C C -2.509 7.903 -3.758 1.00 . A A . 20 ALA C 1 1 10 2398 1 1 20 ALA CA C -1.691 7.921 -2.472 1.00 . A A . 20 ALA CA 1 1 10 2399 1 1 20 ALA CB C -0.286 8.437 -2.744 1.00 . A A . 20 ALA CB 1 1 10 2400 1 1 20 ALA H H -0.728 6.181 -1.660 1.00 . A A . 20 ALA H 1 1 10 2401 1 1 20 ALA HA H -2.167 8.596 -1.761 1.00 . A A . 20 ALA HA 1 1 10 2402 1 1 20 ALA HB1 H -0.088 8.400 -3.816 1.00 . A A . 20 ALA HB1 1 1 10 2403 1 1 20 ALA HB2 H -0.203 9.465 -2.393 1.00 . A A . 20 ALA HB2 1 1 10 2404 1 1 20 ALA HB3 H 0.438 7.812 -2.220 1.00 . A A . 20 ALA HB3 1 1 10 2405 1 1 20 ALA N N -1.636 6.596 -1.866 1.00 . A A . 20 ALA N 1 1 10 2406 1 1 20 ALA O O -3.441 8.690 -3.925 1.00 . A A . 20 ALA O 1 1 10 2407 1 1 21 GLY C C -4.251 6.308 -5.767 1.00 . A A . 21 GLY C 1 1 10 2408 1 1 21 GLY CA C -2.864 6.898 -5.929 1.00 . A A . 21 GLY CA 1 1 10 2409 1 1 21 GLY H H -1.372 6.376 -4.473 1.00 . A A . 21 GLY H 1 1 10 2410 1 1 21 GLY HA2 H -2.953 7.893 -6.365 1.00 . A A . 21 GLY HA2 1 1 10 2411 1 1 21 GLY HA3 H -2.290 6.266 -6.606 1.00 . A A . 21 GLY HA3 1 1 10 2412 1 1 21 GLY N N -2.154 7.001 -4.668 1.00 . A A . 21 GLY N 1 1 10 2413 1 1 21 GLY O O -5.193 6.725 -6.440 1.00 . A A . 21 GLY O 1 1 10 2414 1 1 22 GLY C C -5.838 4.256 -3.202 1.00 . A A . 22 GLY C 1 1 10 2415 1 1 22 GLY CA C -5.661 4.698 -4.640 1.00 . A A . 22 GLY CA 1 1 10 2416 1 1 22 GLY H H -3.557 5.029 -4.344 1.00 . A A . 22 GLY H 1 1 10 2417 1 1 22 GLY HA2 H -6.452 5.404 -4.894 1.00 . A A . 22 GLY HA2 1 1 10 2418 1 1 22 GLY HA3 H -5.744 3.827 -5.289 1.00 . A A . 22 GLY HA3 1 1 10 2419 1 1 22 GLY N N -4.376 5.332 -4.872 1.00 . A A . 22 GLY N 1 1 10 2420 1 1 22 GLY O O -6.122 5.072 -2.325 1.00 . A A . 22 GLY O 1 1 11 2421 1 1 1 GLY C C -5.166 1.116 -1.427 1.00 . A A . 1 GLY C 1 1 11 2422 1 1 1 GLY CA C -5.987 2.358 -1.716 1.00 . A A . 1 GLY CA 1 1 11 2423 1 1 1 GLY H1 H -5.725 2.295 -3.660 1.00 . A A . 1 GLY H1 1 1 11 2424 1 1 1 GLY HA2 H -5.861 3.064 -0.894 1.00 . A A . 1 GLY HA2 1 1 11 2425 1 1 1 GLY HA3 H -7.038 2.077 -1.781 1.00 . A A . 1 GLY HA3 1 1 11 2426 1 1 1 GLY N N -5.596 3.006 -2.955 1.00 . A A . 1 GLY N 1 1 11 2427 1 1 1 GLY O O -5.711 0.071 -1.072 1.00 . A A . 1 GLY O 1 1 11 2428 1 1 2 CYS C C -2.826 -0.173 0.159 1.00 . A A . 2 CYS C 1 1 11 2429 1 1 2 CYS CA C -2.952 0.107 -1.337 1.00 . A A . 2 CYS CA 1 1 11 2430 1 1 2 CYS CB C -1.572 0.394 -1.931 1.00 . A A . 2 CYS CB 1 1 11 2431 1 1 2 CYS H H -3.459 2.124 -1.878 1.00 . A A . 2 CYS H 1 1 11 2432 1 1 2 CYS HA H -3.374 -0.771 -1.825 1.00 . A A . 2 CYS HA 1 1 11 2433 1 1 2 CYS HB3 H -0.812 -0.084 -1.313 1.00 . A A . 2 CYS HB3 1 1 11 2434 1 1 2 CYS N N -3.851 1.230 -1.581 1.00 . A A . 2 CYS N 1 1 11 2435 1 1 2 CYS O O -2.650 -1.319 0.574 1.00 . A A . 2 CYS O 1 1 11 2436 1 1 2 CYS SG S -1.359 -0.207 -3.637 1.00 . A A . 2 CYS SG 1 1 11 2437 1 1 3 CYS C C -3.893 -0.185 2.951 1.00 . A A . 3 CYS C 1 1 11 2438 1 1 3 CYS CA C -2.815 0.750 2.410 1.00 . A A . 3 CYS CA 1 1 11 2439 1 1 3 CYS CB C -2.934 2.122 3.077 1.00 . A A . 3 CYS CB 1 1 11 2440 1 1 3 CYS H H -3.066 1.805 0.556 1.00 . A A . 3 CYS H 1 1 11 2441 1 1 3 CYS HA H -1.837 0.328 2.640 1.00 . A A . 3 CYS HA 1 1 11 2442 1 1 3 CYS HB3 H -3.329 1.995 4.085 1.00 . A A . 3 CYS HB3 1 1 11 2443 1 1 3 CYS N N -2.918 0.881 0.962 1.00 . A A . 3 CYS N 1 1 11 2444 1 1 3 CYS O O -3.649 -0.964 3.871 1.00 . A A . 3 CYS O 1 1 11 2445 1 1 3 CYS SG S -1.356 3.023 3.209 1.00 . A A . 3 CYS SG 1 1 11 2446 1 1 4 SER C C -6.177 -2.283 2.080 1.00 . A A . 4 SER C 1 1 11 2447 1 1 4 SER CA C -6.203 -0.937 2.796 1.00 . A A . 4 SER CA 1 1 11 2448 1 1 4 SER CB C -7.531 -0.227 2.524 1.00 . A A . 4 SER CB 1 1 11 2449 1 1 4 SER H H -5.225 0.567 1.612 1.00 . A A . 4 SER H 1 1 11 2450 1 1 4 SER HA H -6.105 -1.106 3.869 1.00 . A A . 4 SER HA 1 1 11 2451 1 1 4 SER HB3 H -8.127 -0.828 1.836 1.00 . A A . 4 SER HB3 1 1 11 2452 1 1 4 SER HG H -9.108 0.417 3.522 1.00 . A A . 4 SER HG 1 1 11 2453 1 1 4 SER N N -5.086 -0.101 2.371 1.00 . A A . 4 SER N 1 1 11 2454 1 1 4 SER O O -6.364 -3.331 2.699 1.00 . A A . 4 SER O 1 1 11 2455 1 1 4 SER OG O -8.264 -0.040 3.722 1.00 . A A . 4 SER OG 1 1 11 2456 1 1 5 ASP C C -4.931 -4.477 0.583 1.00 . A A . 5 ASP C 1 1 11 2457 1 1 5 ASP CA C -5.893 -3.463 -0.029 1.00 . A A . 5 ASP CA 1 1 11 2458 1 1 5 ASP CB C -5.466 -3.138 -1.462 1.00 . A A . 5 ASP CB 1 1 11 2459 1 1 5 ASP CG C -6.066 -4.092 -2.475 1.00 . A A . 5 ASP CG 1 1 11 2460 1 1 5 ASP H H -5.798 -1.345 0.319 1.00 . A A . 5 ASP H 1 1 11 2461 1 1 5 ASP HA H -6.894 -3.896 -0.047 1.00 . A A . 5 ASP HA 1 1 11 2462 1 1 5 ASP HB3 H -4.380 -3.196 -1.532 1.00 . A A . 5 ASP HB3 1 1 11 2463 1 1 5 ASP N N -5.944 -2.246 0.773 1.00 . A A . 5 ASP N 1 1 11 2464 1 1 5 ASP O O -3.846 -4.134 1.054 1.00 . A A . 5 ASP O 1 1 11 2465 1 1 5 ASP OD1 O -7.212 -3.853 -2.910 1.00 . A A . 5 ASP OD1 1 1 11 2466 1 1 5 ASP OD2 O -5.390 -5.078 -2.834 1.00 . A A . 5 ASP OD2 1 1 11 2467 1 1 6 PRO C C -3.288 -7.132 0.286 1.00 . A A . 6 PRO C 1 1 11 2468 1 1 6 PRO CA C -4.525 -6.845 1.129 1.00 . A A . 6 PRO CA 1 1 11 2469 1 1 6 PRO CB C -5.478 -8.043 1.106 1.00 . A A . 6 PRO CB 1 1 11 2470 1 1 6 PRO CD C -6.617 -6.236 0.033 1.00 . A A . 6 PRO CD 1 1 11 2471 1 1 6 PRO CG C -6.452 -7.731 0.023 1.00 . A A . 6 PRO CG 1 1 11 2472 1 1 6 PRO HA H -4.223 -6.640 2.157 1.00 . A A . 6 PRO HA 1 1 11 2473 1 1 6 PRO HB3 H -5.973 -8.137 2.072 1.00 . A A . 6 PRO HB3 1 1 11 2474 1 1 6 PRO HD3 H -7.446 -5.948 0.679 1.00 . A A . 6 PRO HD3 1 1 11 2475 1 1 6 PRO HG3 H -7.406 -8.216 0.231 1.00 . A A . 6 PRO HG3 1 1 11 2476 1 1 6 PRO N N -5.336 -5.755 0.578 1.00 . A A . 6 PRO N 1 1 11 2477 1 1 6 PRO O O -2.181 -7.248 0.811 1.00 . A A . 6 PRO O 1 1 11 2478 1 1 7 ARG C C -1.261 -6.496 -1.763 1.00 . A A . 7 ARG C 1 1 11 2479 1 1 7 ARG CA C -2.383 -7.516 -1.940 1.00 . A A . 7 ARG CA 1 1 11 2480 1 1 7 ARG CB C -2.878 -7.499 -3.387 1.00 . A A . 7 ARG CB 1 1 11 2481 1 1 7 ARG CD C -2.882 -9.960 -3.896 1.00 . A A . 7 ARG CD 1 1 11 2482 1 1 7 ARG CG C -2.288 -8.605 -4.246 1.00 . A A . 7 ARG CG 1 1 11 2483 1 1 7 ARG CZ C -2.165 -12.085 -2.889 1.00 . A A . 7 ARG CZ 1 1 11 2484 1 1 7 ARG H H -4.426 -7.136 -1.397 1.00 . A A . 7 ARG H 1 1 11 2485 1 1 7 ARG HA H -1.994 -8.508 -1.710 1.00 . A A . 7 ARG HA 1 1 11 2486 1 1 7 ARG HB3 H -2.618 -6.541 -3.836 1.00 . A A . 7 ARG HB3 1 1 11 2487 1 1 7 ARG HD3 H -3.209 -10.447 -4.816 1.00 . A A . 7 ARG HD3 1 1 11 2488 1 1 7 ARG HE H -1.007 -10.424 -2.990 1.00 . A A . 7 ARG HE 1 1 11 2489 1 1 7 ARG HG3 H -1.210 -8.638 -4.089 1.00 . A A . 7 ARG HG3 1 1 11 2490 1 1 7 ARG HH11 H -4.055 -12.079 -3.646 1.00 . A A . 7 ARG HH11 1 1 11 2491 1 1 7 ARG HH12 H -3.527 -13.601 -2.920 1.00 . A A . 7 ARG HH12 1 1 11 2492 1 1 7 ARG HH21 H -0.330 -12.390 -2.053 1.00 . A A . 7 ARG HH21 1 1 11 2493 1 1 7 ARG HH22 H -1.427 -13.775 -2.021 1.00 . A A . 7 ARG HH22 1 1 11 2494 1 1 7 ARG N N -3.483 -7.243 -1.024 1.00 . A A . 7 ARG N 1 1 11 2495 1 1 7 ARG NE N -1.917 -10.823 -3.219 1.00 . A A . 7 ARG NE 1 1 11 2496 1 1 7 ARG NH1 N -3.339 -12.631 -3.173 1.00 . A A . 7 ARG NH1 1 1 11 2497 1 1 7 ARG NH2 N -1.235 -12.805 -2.274 1.00 . A A . 7 ARG NH2 1 1 11 2498 1 1 7 ARG O O -0.094 -6.859 -1.624 1.00 . A A . 7 ARG O 1 1 11 2499 1 1 8 CYS C C -0.027 -4.178 -0.221 1.00 . A A . 8 CYS C 1 1 11 2500 1 1 8 CYS CA C -0.653 -4.144 -1.613 1.00 . A A . 8 CYS CA 1 1 11 2501 1 1 8 CYS CB C -1.316 -2.786 -1.854 1.00 . A A . 8 CYS CB 1 1 11 2502 1 1 8 CYS H H -2.611 -4.982 -1.891 1.00 . A A . 8 CYS H 1 1 11 2503 1 1 8 CYS HA H 0.133 -4.291 -2.354 1.00 . A A . 8 CYS HA 1 1 11 2504 1 1 8 CYS HB3 H -0.814 -2.032 -1.247 1.00 . A A . 8 CYS HB3 1 1 11 2505 1 1 8 CYS N N -1.626 -5.218 -1.772 1.00 . A A . 8 CYS N 1 1 11 2506 1 1 8 CYS O O 1.114 -3.759 -0.033 1.00 . A A . 8 CYS O 1 1 11 2507 1 1 8 CYS SG S -1.262 -2.229 -3.586 1.00 . A A . 8 CYS SG 1 1 11 2508 1 1 9 ASN C C 0.796 -5.816 2.250 1.00 . A A . 9 ASN C 1 1 11 2509 1 1 9 ASN CA C -0.304 -4.767 2.124 1.00 . A A . 9 ASN CA 1 1 11 2510 1 1 9 ASN CB C -1.458 -5.106 3.069 1.00 . A A . 9 ASN CB 1 1 11 2511 1 1 9 ASN CG C -1.128 -4.804 4.518 1.00 . A A . 9 ASN CG 1 1 11 2512 1 1 9 ASN H H -1.722 -5.009 0.528 1.00 . A A . 9 ASN H 1 1 11 2513 1 1 9 ASN HA H 0.105 -3.795 2.399 1.00 . A A . 9 ASN HA 1 1 11 2514 1 1 9 ASN HB3 H -1.693 -6.167 2.981 1.00 . A A . 9 ASN HB3 1 1 11 2515 1 1 9 ASN HD21 H -1.302 -2.826 4.147 1.00 . A A . 9 ASN HD21 1 1 11 2516 1 1 9 ASN HD22 H -0.882 -3.289 5.832 1.00 . A A . 9 ASN HD22 1 1 11 2517 1 1 9 ASN N N -0.783 -4.678 0.749 1.00 . A A . 9 ASN N 1 1 11 2518 1 1 9 ASN ND2 N -1.101 -3.523 4.863 1.00 . A A . 9 ASN ND2 1 1 11 2519 1 1 9 ASN O O 1.860 -5.552 2.810 1.00 . A A . 9 ASN O 1 1 11 2520 1 1 9 ASN OD1 O -0.900 -5.714 5.315 1.00 . A A . 9 ASN OD1 1 1 11 2521 1 1 10 TYR C C 2.631 -7.874 0.784 1.00 . A A . 10 TYR C 1 1 11 2522 1 1 10 TYR CA C 1.497 -8.098 1.780 1.00 . A A . 10 TYR CA 1 1 11 2523 1 1 10 TYR CB C 0.808 -9.434 1.493 1.00 . A A . 10 TYR CB 1 1 11 2524 1 1 10 TYR CD1 C 2.055 -11.579 1.023 1.00 . A A . 10 TYR CD1 1 1 11 2525 1 1 10 TYR CD2 C 1.914 -10.831 3.281 1.00 . A A . 10 TYR CD2 1 1 11 2526 1 1 10 TYR CE1 C 2.785 -12.680 1.427 1.00 . A A . 10 TYR CE1 1 1 11 2527 1 1 10 TYR CE2 C 2.644 -11.929 3.696 1.00 . A A . 10 TYR CE2 1 1 11 2528 1 1 10 TYR CG C 1.608 -10.636 1.941 1.00 . A A . 10 TYR CG 1 1 11 2529 1 1 10 TYR CZ C 3.077 -12.850 2.764 1.00 . A A . 10 TYR CZ 1 1 11 2530 1 1 10 TYR H H -0.369 -7.164 1.274 1.00 . A A . 10 TYR H 1 1 11 2531 1 1 10 TYR HA H 1.914 -8.126 2.787 1.00 . A A . 10 TYR HA 1 1 11 2532 1 1 10 TYR HB3 H 0.641 -9.524 0.420 1.00 . A A . 10 TYR HB3 1 1 11 2533 1 1 10 TYR HD1 H 1.824 -11.442 -0.024 1.00 . A A . 10 TYR HD1 1 1 11 2534 1 1 10 TYR HD2 H 1.573 -10.108 4.008 1.00 . A A . 10 TYR HD2 1 1 11 2535 1 1 10 TYR HE1 H 3.124 -13.402 0.699 1.00 . A A . 10 TYR HE1 1 1 11 2536 1 1 10 TYR HE2 H 2.873 -12.062 4.742 1.00 . A A . 10 TYR HE2 1 1 11 2537 1 1 10 TYR HH H 4.009 -13.862 4.127 1.00 . A A . 10 TYR HH 1 1 11 2538 1 1 10 TYR N N 0.532 -7.008 1.725 1.00 . A A . 10 TYR N 1 1 11 2539 1 1 10 TYR O O 3.778 -8.240 1.038 1.00 . A A . 10 TYR O 1 1 11 2540 1 1 10 TYR OH O 3.803 -13.945 3.172 1.00 . A A . 10 TYR OH 1 1 11 2541 1 1 11 ALA C C 4.177 -5.813 -0.995 1.00 . A A . 11 ALA C 1 1 11 2542 1 1 11 ALA CA C 3.289 -6.990 -1.385 1.00 . A A . 11 ALA CA 1 1 11 2543 1 1 11 ALA CB C 2.600 -6.715 -2.715 1.00 . A A . 11 ALA CB 1 1 11 2544 1 1 11 ALA H H 1.331 -6.987 -0.502 1.00 . A A . 11 ALA H 1 1 11 2545 1 1 11 ALA HA H 3.910 -7.877 -1.505 1.00 . A A . 11 ALA HA 1 1 11 2546 1 1 11 ALA HB1 H 3.314 -6.848 -3.527 1.00 . A A . 11 ALA HB1 1 1 11 2547 1 1 11 ALA HB2 H 1.769 -7.409 -2.843 1.00 . A A . 11 ALA HB2 1 1 11 2548 1 1 11 ALA HB3 H 2.225 -5.692 -2.724 1.00 . A A . 11 ALA HB3 1 1 11 2549 1 1 11 ALA N N 2.300 -7.267 -0.352 1.00 . A A . 11 ALA N 1 1 11 2550 1 1 11 ALA O O 5.377 -5.810 -1.269 1.00 . A A . 11 ALA O 1 1 11 2551 1 1 12 HIS C C 4.202 -3.435 1.583 1.00 . A A . 12 HIS C 1 1 11 2552 1 1 12 HIS CA C 4.316 -3.630 0.074 1.00 . A A . 12 HIS CA 1 1 11 2553 1 1 12 HIS CB C 3.804 -2.341 -0.568 1.00 . A A . 12 HIS CB 1 1 11 2554 1 1 12 HIS CD2 C 2.199 -1.975 -2.573 1.00 . A A . 12 HIS CD2 1 1 11 2555 1 1 12 HIS CE1 C 3.141 -3.351 -3.995 1.00 . A A . 12 HIS CE1 1 1 11 2556 1 1 12 HIS CG C 3.264 -2.535 -1.952 1.00 . A A . 12 HIS CG 1 1 11 2557 1 1 12 HIS H H 2.580 -4.877 -0.157 1.00 . A A . 12 HIS H 1 1 11 2558 1 1 12 HIS HA H 5.365 -3.779 -0.182 1.00 . A A . 12 HIS HA 1 1 11 2559 1 1 12 HIS HB3 H 4.621 -1.621 -0.625 1.00 . A A . 12 HIS HB3 1 1 11 2560 1 1 12 HIS HD2 H 1.518 -1.251 -2.150 1.00 . A A . 12 HIS HD2 1 1 11 2561 1 1 12 HIS HE1 H 3.356 -3.917 -4.889 1.00 . A A . 12 HIS HE1 1 1 11 2562 1 1 12 HIS HE2 H 1.448 -2.266 -4.549 1.00 . A A . 12 HIS HE2 1 1 11 2563 1 1 12 HIS N N 3.579 -4.813 -0.355 1.00 . A A . 12 HIS N 1 1 11 2564 1 1 12 HIS ND1 N 3.832 -3.393 -2.868 1.00 . A A . 12 HIS ND1 1 1 11 2565 1 1 12 HIS NE2 N 2.144 -2.498 -3.840 1.00 . A A . 12 HIS NE2 1 1 11 2566 1 1 12 HIS O O 3.594 -2.480 2.065 1.00 . A A . 12 HIS O 1 1 11 2567 1 1 13 PRO C C 5.622 -3.173 4.367 1.00 . A A . 13 PRO C 1 1 11 2568 1 1 13 PRO CA C 4.777 -4.314 3.812 1.00 . A A . 13 PRO CA 1 1 11 2569 1 1 13 PRO CB C 5.370 -5.665 4.220 1.00 . A A . 13 PRO CB 1 1 11 2570 1 1 13 PRO CD C 5.540 -5.528 1.840 1.00 . A A . 13 PRO CD 1 1 11 2571 1 1 13 PRO CG C 6.222 -6.069 3.066 1.00 . A A . 13 PRO CG 1 1 11 2572 1 1 13 PRO HA H 3.760 -4.232 4.195 1.00 . A A . 13 PRO HA 1 1 11 2573 1 1 13 PRO HB3 H 4.568 -6.381 4.392 1.00 . A A . 13 PRO HB3 1 1 11 2574 1 1 13 PRO HD3 H 4.860 -6.271 1.425 1.00 . A A . 13 PRO HD3 1 1 11 2575 1 1 13 PRO HG3 H 6.285 -7.156 3.016 1.00 . A A . 13 PRO HG3 1 1 11 2576 1 1 13 PRO N N 4.799 -4.362 2.347 1.00 . A A . 13 PRO N 1 1 11 2577 1 1 13 PRO O O 5.300 -2.598 5.406 1.00 . A A . 13 PRO O 1 1 11 2578 1 1 14 ALA C C 6.862 -0.436 4.117 1.00 . A A . 14 ALA C 1 1 11 2579 1 1 14 ALA CA C 7.594 -1.774 4.088 1.00 . A A . 14 ALA CA 1 1 11 2580 1 1 14 ALA CB C 8.802 -1.697 3.167 1.00 . A A . 14 ALA CB 1 1 11 2581 1 1 14 ALA H H 6.917 -3.365 2.813 1.00 . A A . 14 ALA H 1 1 11 2582 1 1 14 ALA HA H 7.948 -2.005 5.094 1.00 . A A . 14 ALA HA 1 1 11 2583 1 1 14 ALA HB1 H 8.486 -1.359 2.181 1.00 . A A . 14 ALA HB1 1 1 11 2584 1 1 14 ALA HB2 H 9.527 -0.994 3.578 1.00 . A A . 14 ALA HB2 1 1 11 2585 1 1 14 ALA HB3 H 9.259 -2.684 3.086 1.00 . A A . 14 ALA HB3 1 1 11 2586 1 1 14 ALA N N 6.704 -2.849 3.666 1.00 . A A . 14 ALA N 1 1 11 2587 1 1 14 ALA O O 6.943 0.304 5.098 1.00 . A A . 14 ALA O 1 1 11 2588 1 1 15 ILE C C 4.276 1.005 1.920 1.00 . A A . 15 ILE C 1 1 11 2589 1 1 15 ILE CA C 5.406 1.116 2.939 1.00 . A A . 15 ILE CA 1 1 11 2590 1 1 15 ILE CB C 6.322 2.291 2.547 1.00 . A A . 15 ILE CB 1 1 11 2591 1 1 15 ILE CD1 C 7.897 2.994 0.676 1.00 . A A . 15 ILE CD1 1 1 11 2592 1 1 15 ILE CG1 C 7.324 1.847 1.478 1.00 . A A . 15 ILE CG1 1 1 11 2593 1 1 15 ILE CG2 C 7.048 2.827 3.771 1.00 . A A . 15 ILE CG2 1 1 11 2594 1 1 15 ILE H H 6.125 -0.790 2.258 1.00 . A A . 15 ILE H 1 1 11 2595 1 1 15 ILE HA H 4.977 1.328 3.919 1.00 . A A . 15 ILE HA 1 1 11 2596 1 1 15 ILE HB H 5.701 3.089 2.144 1.00 . A A . 15 ILE HB 1 1 11 2597 1 1 15 ILE HD11 H 7.142 3.366 -0.018 1.00 . A A . 15 ILE HD11 1 1 11 2598 1 1 15 ILE HD12 H 8.198 3.796 1.349 1.00 . A A . 15 ILE HD12 1 1 11 2599 1 1 15 ILE HD13 H 8.764 2.648 0.114 1.00 . A A . 15 ILE HD13 1 1 11 2600 1 1 15 ILE HG13 H 6.828 1.167 0.785 1.00 . A A . 15 ILE HG13 1 1 11 2601 1 1 15 ILE HG21 H 8.032 2.364 3.844 1.00 . A A . 15 ILE HG21 1 1 11 2602 1 1 15 ILE HG22 H 7.164 3.908 3.680 1.00 . A A . 15 ILE HG22 1 1 11 2603 1 1 15 ILE HG23 H 6.471 2.597 4.667 1.00 . A A . 15 ILE HG23 1 1 11 2604 1 1 15 ILE N N 6.151 -0.133 3.037 1.00 . A A . 15 ILE N 1 1 11 2605 1 1 15 ILE O O 4.501 0.639 0.767 1.00 . A A . 15 ILE O 1 1 11 2606 1 1 16 CYS C C 1.654 2.606 0.800 1.00 . A A . 16 CYS C 1 1 11 2607 1 1 16 CYS CA C 1.896 1.262 1.481 1.00 . A A . 16 CYS CA 1 1 11 2608 1 1 16 CYS CB C 0.657 0.851 2.278 1.00 . A A . 16 CYS CB 1 1 11 2609 1 1 16 CYS H H 2.942 1.620 3.324 1.00 . A A . 16 CYS H 1 1 11 2610 1 1 16 CYS HA H 2.091 0.511 0.715 1.00 . A A . 16 CYS HA 1 1 11 2611 1 1 16 CYS HB3 H 0.819 -0.141 2.699 1.00 . A A . 16 CYS HB3 1 1 11 2612 1 1 16 CYS N N 3.062 1.325 2.355 1.00 . A A . 16 CYS N 1 1 11 2613 1 1 16 CYS O O 0.526 3.093 0.748 1.00 . A A . 16 CYS O 1 1 11 2614 1 1 16 CYS SG S 0.248 1.978 3.650 1.00 . A A . 16 CYS SG 1 1 11 2615 1 1 17 GLY C C 1.575 4.464 -1.502 1.00 . A A . 17 GLY C 1 1 11 2616 1 1 17 GLY CA C 2.607 4.482 -0.392 1.00 . A A . 17 GLY CA 1 1 11 2617 1 1 17 GLY H H 3.635 2.749 0.354 1.00 . A A . 17 GLY H 1 1 11 2618 1 1 17 GLY HA2 H 2.325 5.239 0.340 1.00 . A A . 17 GLY HA2 1 1 11 2619 1 1 17 GLY HA3 H 3.575 4.746 -0.817 1.00 . A A . 17 GLY HA3 1 1 11 2620 1 1 17 GLY N N 2.724 3.201 0.279 1.00 . A A . 17 GLY N 1 1 11 2621 1 1 17 GLY O O 1.045 5.507 -1.884 1.00 . A A . 17 GLY O 1 1 11 2622 1 1 18 GLY C C -1.010 3.801 -2.750 1.00 . A A . 18 GLY C 1 1 11 2623 1 1 18 GLY CA C 0.316 3.147 -3.090 1.00 . A A . 18 GLY CA 1 1 11 2624 1 1 18 GLY H H 1.760 2.445 -1.663 1.00 . A A . 18 GLY H 1 1 11 2625 1 1 18 GLY HA2 H 0.717 3.613 -3.990 1.00 . A A . 18 GLY HA2 1 1 11 2626 1 1 18 GLY HA3 H 0.144 2.089 -3.287 1.00 . A A . 18 GLY HA3 1 1 11 2627 1 1 18 GLY N N 1.288 3.275 -2.022 1.00 . A A . 18 GLY N 1 1 11 2628 1 1 18 GLY O O -1.781 4.157 -3.640 1.00 . A A . 18 GLY O 1 1 11 2629 1 1 19 ALA C C -2.712 5.945 -1.630 1.00 . A A . 19 ALA C 1 1 11 2630 1 1 19 ALA CA C -2.515 4.570 -1.000 1.00 . A A . 19 ALA CA 1 1 11 2631 1 1 19 ALA CB C -2.524 4.677 0.518 1.00 . A A . 19 ALA CB 1 1 11 2632 1 1 19 ALA H H -0.594 3.638 -0.767 1.00 . A A . 19 ALA H 1 1 11 2633 1 1 19 ALA HA H -3.340 3.924 -1.299 1.00 . A A . 19 ALA HA 1 1 11 2634 1 1 19 ALA HB1 H -3.011 5.606 0.812 1.00 . A A . 19 ALA HB1 1 1 11 2635 1 1 19 ALA HB2 H -3.069 3.831 0.939 1.00 . A A . 19 ALA HB2 1 1 11 2636 1 1 19 ALA HB3 H -1.499 4.671 0.887 1.00 . A A . 19 ALA HB3 1 1 11 2637 1 1 19 ALA N N -1.276 3.956 -1.457 1.00 . A A . 19 ALA N 1 1 11 2638 1 1 19 ALA O O -3.841 6.381 -1.852 1.00 . A A . 19 ALA O 1 1 11 2639 1 1 20 ALA C C -2.472 7.931 -3.810 1.00 . A A . 20 ALA C 1 1 11 2640 1 1 20 ALA CA C -1.656 7.948 -2.522 1.00 . A A . 20 ALA CA 1 1 11 2641 1 1 20 ALA CB C -0.249 8.459 -2.793 1.00 . A A . 20 ALA CB 1 1 11 2642 1 1 20 ALA H H -0.698 6.206 -1.707 1.00 . A A . 20 ALA H 1 1 11 2643 1 1 20 ALA HA H -2.131 8.625 -1.812 1.00 . A A . 20 ALA HA 1 1 11 2644 1 1 20 ALA HB1 H 0.397 7.621 -3.057 1.00 . A A . 20 ALA HB1 1 1 11 2645 1 1 20 ALA HB2 H -0.274 9.173 -3.616 1.00 . A A . 20 ALA HB2 1 1 11 2646 1 1 20 ALA HB3 H 0.139 8.947 -1.899 1.00 . A A . 20 ALA HB3 1 1 11 2647 1 1 20 ALA N N -1.605 6.623 -1.916 1.00 . A A . 20 ALA N 1 1 11 2648 1 1 20 ALA O O -3.401 8.720 -3.978 1.00 . A A . 20 ALA O 1 1 11 2649 1 1 21 GLY C C -4.217 6.341 -5.819 1.00 . A A . 21 GLY C 1 1 11 2650 1 1 21 GLY CA C -2.828 6.925 -5.980 1.00 . A A . 21 GLY CA 1 1 11 2651 1 1 21 GLY H H -1.339 6.398 -4.521 1.00 . A A . 21 GLY H 1 1 11 2652 1 1 21 GLY HA2 H -2.910 7.920 -6.418 1.00 . A A . 21 GLY HA2 1 1 11 2653 1 1 21 GLY HA3 H -2.255 6.289 -6.655 1.00 . A A . 21 GLY HA3 1 1 11 2654 1 1 21 GLY N N -2.118 7.027 -4.718 1.00 . A A . 21 GLY N 1 1 11 2655 1 1 21 GLY O O -5.155 6.758 -6.496 1.00 . A A . 21 GLY O 1 1 11 2656 1 1 22 GLY C C -5.814 4.293 -3.253 1.00 . A A . 22 GLY C 1 1 11 2657 1 1 22 GLY CA C -5.637 4.743 -4.689 1.00 . A A . 22 GLY CA 1 1 11 2658 1 1 22 GLY H H -3.533 5.067 -4.387 1.00 . A A . 22 GLY H 1 1 11 2659 1 1 22 GLY HA2 H -6.425 5.455 -4.935 1.00 . A A . 22 GLY HA2 1 1 11 2660 1 1 22 GLY HA3 H -5.726 3.875 -5.342 1.00 . A A . 22 GLY HA3 1 1 11 2661 1 1 22 GLY N N -4.348 5.371 -4.920 1.00 . A A . 22 GLY N 1 1 11 2662 1 1 22 GLY O O -6.089 5.106 -2.370 1.00 . A A . 22 GLY O 1 1 12 2663 1 1 1 GLY C C -5.219 1.106 -1.272 1.00 . A A . 1 GLY C 1 1 12 2664 1 1 1 GLY CA C -6.035 2.348 -1.568 1.00 . A A . 1 GLY CA 1 1 12 2665 1 1 1 GLY H1 H -5.824 2.238 -3.516 1.00 . A A . 1 GLY H1 1 1 12 2666 1 1 1 GLY HA2 H -5.881 3.071 -0.766 1.00 . A A . 1 GLY HA2 1 1 12 2667 1 1 1 GLY HA3 H -7.090 2.077 -1.601 1.00 . A A . 1 GLY HA3 1 1 12 2668 1 1 1 GLY N N -5.670 2.964 -2.831 1.00 . A A . 1 GLY N 1 1 12 2669 1 1 1 GLY O O -5.764 0.075 -0.877 1.00 . A A . 1 GLY O 1 1 12 2670 1 1 2 CYS C C -2.854 -0.174 0.279 1.00 . A A . 2 CYS C 1 1 12 2671 1 1 2 CYS CA C -3.014 0.076 -1.218 1.00 . A A . 2 CYS CA 1 1 12 2672 1 1 2 CYS CB C -1.646 0.336 -1.852 1.00 . A A . 2 CYS CB 1 1 12 2673 1 1 2 CYS H H -3.516 2.084 -1.794 1.00 . A A . 2 CYS H 1 1 12 2674 1 1 2 CYS HA H -3.455 -0.809 -1.677 1.00 . A A . 2 CYS HA 1 1 12 2675 1 1 2 CYS HB3 H -0.876 -0.136 -1.241 1.00 . A A . 2 CYS HB3 1 1 12 2676 1 1 2 CYS N N -3.908 1.201 -1.465 1.00 . A A . 2 CYS N 1 1 12 2677 1 1 2 CYS O O -2.674 -1.312 0.714 1.00 . A A . 2 CYS O 1 1 12 2678 1 1 2 CYS SG S -1.478 -0.304 -3.549 1.00 . A A . 2 CYS SG 1 1 12 2679 1 1 3 CYS C C -3.857 -0.123 3.095 1.00 . A A . 3 CYS C 1 1 12 2680 1 1 3 CYS CA C -2.787 0.795 2.510 1.00 . A A . 3 CYS CA 1 1 12 2681 1 1 3 CYS CB C -2.884 2.181 3.151 1.00 . A A . 3 CYS CB 1 1 12 2682 1 1 3 CYS H H -3.075 1.813 0.640 1.00 . A A . 3 CYS H 1 1 12 2683 1 1 3 CYS HA H -1.805 0.373 2.725 1.00 . A A . 3 CYS HA 1 1 12 2684 1 1 3 CYS HB3 H -3.256 2.077 4.170 1.00 . A A . 3 CYS HB3 1 1 12 2685 1 1 3 CYS N N -2.924 0.897 1.063 1.00 . A A . 3 CYS N 1 1 12 2686 1 1 3 CYS O O -3.592 -0.889 4.021 1.00 . A A . 3 CYS O 1 1 12 2687 1 1 3 CYS SG S -1.298 3.077 3.228 1.00 . A A . 3 CYS SG 1 1 12 2688 1 1 4 SER C C -6.177 -2.219 2.321 1.00 . A A . 4 SER C 1 1 12 2689 1 1 4 SER CA C -6.175 -0.860 3.014 1.00 . A A . 4 SER CA 1 1 12 2690 1 1 4 SER CB C -7.505 -0.146 2.764 1.00 . A A . 4 SER CB 1 1 12 2691 1 1 4 SER H H -5.217 0.616 1.780 1.00 . A A . 4 SER H 1 1 12 2692 1 1 4 SER HA H -6.049 -1.013 4.086 1.00 . A A . 4 SER HA 1 1 12 2693 1 1 4 SER HB3 H -7.375 0.924 2.927 1.00 . A A . 4 SER HB3 1 1 12 2694 1 1 4 SER HG H -8.807 0.109 1.304 1.00 . A A . 4 SER HG 1 1 12 2695 1 1 4 SER N N -5.064 -0.040 2.546 1.00 . A A . 4 SER N 1 1 12 2696 1 1 4 SER O O -6.377 -3.253 2.958 1.00 . A A . 4 SER O 1 1 12 2697 1 1 4 SER OG O -7.955 -0.355 1.438 1.00 . A A . 4 SER OG 1 1 12 2698 1 1 5 ASP C C -4.962 -4.450 0.841 1.00 . A A . 5 ASP C 1 1 12 2699 1 1 5 ASP CA C -5.927 -3.439 0.230 1.00 . A A . 5 ASP CA 1 1 12 2700 1 1 5 ASP CB C -5.527 -3.142 -1.217 1.00 . A A . 5 ASP CB 1 1 12 2701 1 1 5 ASP CG C -6.155 -4.109 -2.202 1.00 . A A . 5 ASP CG 1 1 12 2702 1 1 5 ASP H H -5.794 -1.317 0.541 1.00 . A A . 5 ASP H 1 1 12 2703 1 1 5 ASP HA H -6.931 -3.862 0.240 1.00 . A A . 5 ASP HA 1 1 12 2704 1 1 5 ASP HB3 H -4.443 -3.212 -1.307 1.00 . A A . 5 ASP HB3 1 1 12 2705 1 1 5 ASP N N -5.953 -2.208 1.011 1.00 . A A . 5 ASP N 1 1 12 2706 1 1 5 ASP O O -3.866 -4.109 1.284 1.00 . A A . 5 ASP O 1 1 12 2707 1 1 5 ASP OD1 O -7.353 -3.944 -2.512 1.00 . A A . 5 ASP OD1 1 1 12 2708 1 1 5 ASP OD2 O -5.447 -5.028 -2.662 1.00 . A A . 5 ASP OD2 1 1 12 2709 1 1 6 PRO C C -3.349 -7.124 0.557 1.00 . A A . 6 PRO C 1 1 12 2710 1 1 6 PRO CA C -4.567 -6.813 1.419 1.00 . A A . 6 PRO CA 1 1 12 2711 1 1 6 PRO CB C -5.529 -8.003 1.435 1.00 . A A . 6 PRO CB 1 1 12 2712 1 1 6 PRO CD C -6.674 -6.204 0.354 1.00 . A A . 6 PRO CD 1 1 12 2713 1 1 6 PRO CG C -6.522 -7.700 0.366 1.00 . A A . 6 PRO CG 1 1 12 2714 1 1 6 PRO HA H -4.243 -6.592 2.437 1.00 . A A . 6 PRO HA 1 1 12 2715 1 1 6 PRO HB3 H -6.005 -8.076 2.412 1.00 . A A . 6 PRO HB3 1 1 12 2716 1 1 6 PRO HD3 H -7.488 -5.898 1.011 1.00 . A A . 6 PRO HD3 1 1 12 2717 1 1 6 PRO HG3 H -7.474 -8.174 0.602 1.00 . A A . 6 PRO HG3 1 1 12 2718 1 1 6 PRO N N -5.378 -5.725 0.865 1.00 . A A . 6 PRO N 1 1 12 2719 1 1 6 PRO O O -2.230 -7.232 1.060 1.00 . A A . 6 PRO O 1 1 12 2720 1 1 7 ARG C C -1.363 -6.551 -1.547 1.00 . A A . 7 ARG C 1 1 12 2721 1 1 7 ARG CA C -2.493 -7.568 -1.678 1.00 . A A . 7 ARG CA 1 1 12 2722 1 1 7 ARG CB C -3.019 -7.581 -3.114 1.00 . A A . 7 ARG CB 1 1 12 2723 1 1 7 ARG CD C -3.117 -10.058 -3.524 1.00 . A A . 7 ARG CD 1 1 12 2724 1 1 7 ARG CG C -2.493 -8.738 -3.947 1.00 . A A . 7 ARG CG 1 1 12 2725 1 1 7 ARG CZ C -1.555 -11.732 -4.419 1.00 . A A . 7 ARG CZ 1 1 12 2726 1 1 7 ARG H H -4.524 -7.167 -1.101 1.00 . A A . 7 ARG H 1 1 12 2727 1 1 7 ARG HA H -2.106 -8.558 -1.434 1.00 . A A . 7 ARG HA 1 1 12 2728 1 1 7 ARG HB3 H -2.730 -6.650 -3.602 1.00 . A A . 7 ARG HB3 1 1 12 2729 1 1 7 ARG HD3 H -3.849 -10.356 -4.276 1.00 . A A . 7 ARG HD3 1 1 12 2730 1 1 7 ARG HE H -1.850 -11.392 -2.443 1.00 . A A . 7 ARG HE 1 1 12 2731 1 1 7 ARG HG3 H -1.412 -8.801 -3.821 1.00 . A A . 7 ARG HG3 1 1 12 2732 1 1 7 ARG HH11 H -2.576 -10.661 -5.820 1.00 . A A . 7 ARG HH11 1 1 12 2733 1 1 7 ARG HH12 H -1.448 -11.868 -6.450 1.00 . A A . 7 ARG HH12 1 1 12 2734 1 1 7 ARG HH21 H -0.399 -12.947 -3.263 1.00 . A A . 7 ARG HH21 1 1 12 2735 1 1 7 ARG HH22 H -0.221 -13.157 -5.007 1.00 . A A . 7 ARG HH22 1 1 12 2736 1 1 7 ARG N N -3.573 -7.268 -0.745 1.00 . A A . 7 ARG N 1 1 12 2737 1 1 7 ARG NE N -2.121 -11.117 -3.387 1.00 . A A . 7 ARG NE 1 1 12 2738 1 1 7 ARG NH1 N -1.886 -11.395 -5.659 1.00 . A A . 7 ARG NH1 1 1 12 2739 1 1 7 ARG NH2 N -0.656 -12.686 -4.215 1.00 . A A . 7 ARG NH2 1 1 12 2740 1 1 7 ARG O O -0.194 -6.918 -1.430 1.00 . A A . 7 ARG O 1 1 12 2741 1 1 8 CYS C C -0.083 -4.209 -0.077 1.00 . A A . 8 CYS C 1 1 12 2742 1 1 8 CYS CA C -0.738 -4.201 -1.455 1.00 . A A . 8 CYS CA 1 1 12 2743 1 1 8 CYS CB C -1.399 -2.845 -1.709 1.00 . A A . 8 CYS CB 1 1 12 2744 1 1 8 CYS H H -2.707 -5.033 -1.670 1.00 . A A . 8 CYS H 1 1 12 2745 1 1 8 CYS HA H 0.030 -4.368 -2.210 1.00 . A A . 8 CYS HA 1 1 12 2746 1 1 8 CYS HB3 H -0.880 -2.081 -1.129 1.00 . A A . 8 CYS HB3 1 1 12 2747 1 1 8 CYS N N -1.721 -5.272 -1.569 1.00 . A A . 8 CYS N 1 1 12 2748 1 1 8 CYS O O 1.064 -3.793 0.079 1.00 . A A . 8 CYS O 1 1 12 2749 1 1 8 CYS SG S -1.378 -2.324 -3.455 1.00 . A A . 8 CYS SG 1 1 12 2750 1 1 9 ASN C C 0.783 -5.800 2.412 1.00 . A A . 9 ASN C 1 1 12 2751 1 1 9 ASN CA C -0.314 -4.747 2.287 1.00 . A A . 9 ASN CA 1 1 12 2752 1 1 9 ASN CB C -1.450 -5.061 3.262 1.00 . A A . 9 ASN CB 1 1 12 2753 1 1 9 ASN CG C -1.035 -4.885 4.710 1.00 . A A . 9 ASN CG 1 1 12 2754 1 1 9 ASN H H -1.767 -5.015 0.726 1.00 . A A . 9 ASN H 1 1 12 2755 1 1 9 ASN HA H 0.105 -3.770 2.532 1.00 . A A . 9 ASN HA 1 1 12 2756 1 1 9 ASN HB3 H -1.771 -6.093 3.118 1.00 . A A . 9 ASN HB3 1 1 12 2757 1 1 9 ASN HD21 H -0.648 -2.933 4.364 1.00 . A A . 9 ASN HD21 1 1 12 2758 1 1 9 ASN HD22 H -0.359 -3.520 6.038 1.00 . A A . 9 ASN HD22 1 1 12 2759 1 1 9 ASN N N -0.822 -4.685 0.921 1.00 . A A . 9 ASN N 1 1 12 2760 1 1 9 ASN ND2 N -0.645 -3.668 5.070 1.00 . A A . 9 ASN ND2 1 1 12 2761 1 1 9 ASN O O 1.862 -5.528 2.940 1.00 . A A . 9 ASN O 1 1 12 2762 1 1 9 ASN OD1 O -1.063 -5.833 5.495 1.00 . A A . 9 ASN OD1 1 1 12 2763 1 1 10 TYR C C 2.574 -7.899 0.951 1.00 . A A . 10 TYR C 1 1 12 2764 1 1 10 TYR CA C 1.463 -8.096 1.978 1.00 . A A . 10 TYR CA 1 1 12 2765 1 1 10 TYR CB C 0.761 -9.433 1.737 1.00 . A A . 10 TYR CB 1 1 12 2766 1 1 10 TYR CD1 C 1.130 -11.340 3.351 1.00 . A A . 10 TYR CD1 1 1 12 2767 1 1 10 TYR CD2 C 2.702 -11.041 1.584 1.00 . A A . 10 TYR CD2 1 1 12 2768 1 1 10 TYR CE1 C 1.843 -12.431 3.808 1.00 . A A . 10 TYR CE1 1 1 12 2769 1 1 10 TYR CE2 C 3.421 -12.132 2.034 1.00 . A A . 10 TYR CE2 1 1 12 2770 1 1 10 TYR CG C 1.545 -10.627 2.233 1.00 . A A . 10 TYR CG 1 1 12 2771 1 1 10 TYR CZ C 2.988 -12.823 3.145 1.00 . A A . 10 TYR CZ 1 1 12 2772 1 1 10 TYR H H -0.410 -7.163 1.494 1.00 . A A . 10 TYR H 1 1 12 2773 1 1 10 TYR HA H 1.902 -8.102 2.975 1.00 . A A . 10 TYR HA 1 1 12 2774 1 1 10 TYR HB3 H 0.596 -9.561 0.667 1.00 . A A . 10 TYR HB3 1 1 12 2775 1 1 10 TYR HD1 H 0.233 -11.030 3.867 1.00 . A A . 10 TYR HD1 1 1 12 2776 1 1 10 TYR HD2 H 3.039 -10.497 0.715 1.00 . A A . 10 TYR HD2 1 1 12 2777 1 1 10 TYR HE1 H 1.504 -12.973 4.679 1.00 . A A . 10 TYR HE1 1 1 12 2778 1 1 10 TYR HE2 H 4.317 -12.438 1.516 1.00 . A A . 10 TYR HE2 1 1 12 2779 1 1 10 TYR HH H 4.402 -14.134 2.948 1.00 . A A . 10 TYR HH 1 1 12 2780 1 1 10 TYR N N 0.502 -7.001 1.920 1.00 . A A . 10 TYR N 1 1 12 2781 1 1 10 TYR O O 3.724 -8.268 1.186 1.00 . A A . 10 TYR O 1 1 12 2782 1 1 10 TYR OH O 3.702 -13.910 3.597 1.00 . A A . 10 TYR OH 1 1 12 2783 1 1 11 ALA C C 4.092 -5.889 -0.907 1.00 . A A . 11 ALA C 1 1 12 2784 1 1 11 ALA CA C 3.186 -7.066 -1.251 1.00 . A A . 11 ALA CA 1 1 12 2785 1 1 11 ALA CB C 2.468 -6.814 -2.569 1.00 . A A . 11 ALA CB 1 1 12 2786 1 1 11 ALA H H 1.250 -7.033 -0.323 1.00 . A A . 11 ALA H 1 1 12 2787 1 1 11 ALA HA H 3.800 -7.960 -1.366 1.00 . A A . 11 ALA HA 1 1 12 2788 1 1 11 ALA HB1 H 3.167 -6.953 -3.394 1.00 . A A . 11 ALA HB1 1 1 12 2789 1 1 11 ALA HB2 H 1.641 -7.516 -2.671 1.00 . A A . 11 ALA HB2 1 1 12 2790 1 1 11 ALA HB3 H 2.085 -5.794 -2.585 1.00 . A A . 11 ALA HB3 1 1 12 2791 1 1 11 ALA N N 2.221 -7.315 -0.188 1.00 . A A . 11 ALA N 1 1 12 2792 1 1 11 ALA O O 5.285 -5.902 -1.206 1.00 . A A . 11 ALA O 1 1 12 2793 1 1 12 HIS C C 4.187 -3.453 1.616 1.00 . A A . 12 HIS C 1 1 12 2794 1 1 12 HIS CA C 4.270 -3.683 0.110 1.00 . A A . 12 HIS CA 1 1 12 2795 1 1 12 HIS CB C 3.756 -2.404 -0.551 1.00 . A A . 12 HIS CB 1 1 12 2796 1 1 12 HIS CD2 C 2.107 -2.073 -2.525 1.00 . A A . 12 HIS CD2 1 1 12 2797 1 1 12 HIS CE1 C 3.006 -3.492 -3.935 1.00 . A A . 12 HIS CE1 1 1 12 2798 1 1 12 HIS CG C 3.181 -2.626 -1.916 1.00 . A A . 12 HIS CG 1 1 12 2799 1 1 12 HIS H H 2.520 -4.921 -0.056 1.00 . A A . 12 HIS H 1 1 12 2800 1 1 12 HIS HA H 5.312 -3.847 -0.162 1.00 . A A . 12 HIS HA 1 1 12 2801 1 1 12 HIS HB3 H 4.579 -1.695 -0.644 1.00 . A A . 12 HIS HB3 1 1 12 2802 1 1 12 HIS HD2 H 1.440 -1.334 -2.104 1.00 . A A . 12 HIS HD2 1 1 12 2803 1 1 12 HIS HE1 H 3.195 -4.081 -4.820 1.00 . A A . 12 HIS HE1 1 1 12 2804 1 1 12 HIS HE2 H 1.309 -2.407 -4.476 1.00 . A A . 12 HIS HE2 1 1 12 2805 1 1 12 HIS N N 3.515 -4.870 -0.275 1.00 . A A . 12 HIS N 1 1 12 2806 1 1 12 HIS ND1 N 3.723 -3.511 -2.826 1.00 . A A . 12 HIS ND1 1 1 12 2807 1 1 12 HIS NE2 N 2.019 -2.627 -3.779 1.00 . A A . 12 HIS NE2 1 1 12 2808 1 1 12 HIS O O 3.596 -2.481 2.088 1.00 . A A . 12 HIS O 1 1 12 2809 1 1 13 PRO C C 5.664 -3.135 4.364 1.00 . A A . 13 PRO C 1 1 12 2810 1 1 13 PRO CA C 4.800 -4.284 3.853 1.00 . A A . 13 PRO CA 1 1 12 2811 1 1 13 PRO CB C 5.392 -5.629 4.281 1.00 . A A . 13 PRO CB 1 1 12 2812 1 1 13 PRO CD C 5.516 -5.550 1.896 1.00 . A A . 13 PRO CD 1 1 12 2813 1 1 13 PRO CG C 6.218 -6.066 3.121 1.00 . A A . 13 PRO CG 1 1 12 2814 1 1 13 PRO HA H 3.792 -4.184 4.254 1.00 . A A . 13 PRO HA 1 1 12 2815 1 1 13 PRO HB3 H 4.588 -6.335 4.486 1.00 . A A . 13 PRO HB3 1 1 12 2816 1 1 13 PRO HD3 H 4.822 -6.297 1.511 1.00 . A A . 13 PRO HD3 1 1 12 2817 1 1 13 PRO HG3 H 6.272 -7.154 3.094 1.00 . A A . 13 PRO HG3 1 1 12 2818 1 1 13 PRO N N 4.792 -4.366 2.390 1.00 . A A . 13 PRO N 1 1 12 2819 1 1 13 PRO O O 5.366 -2.533 5.396 1.00 . A A . 13 PRO O 1 1 12 2820 1 1 14 ALA C C 6.918 -0.415 4.030 1.00 . A A . 14 ALA C 1 1 12 2821 1 1 14 ALA CA C 7.640 -1.759 4.015 1.00 . A A . 14 ALA CA 1 1 12 2822 1 1 14 ALA CB C 8.829 -1.710 3.067 1.00 . A A . 14 ALA CB 1 1 12 2823 1 1 14 ALA H H 6.928 -3.375 2.792 1.00 . A A . 14 ALA H 1 1 12 2824 1 1 14 ALA HA H 8.014 -1.971 5.017 1.00 . A A . 14 ALA HA 1 1 12 2825 1 1 14 ALA HB1 H 9.693 -1.299 3.589 1.00 . A A . 14 ALA HB1 1 1 12 2826 1 1 14 ALA HB2 H 9.061 -2.718 2.723 1.00 . A A . 14 ALA HB2 1 1 12 2827 1 1 14 ALA HB3 H 8.587 -1.080 2.212 1.00 . A A . 14 ALA HB3 1 1 12 2828 1 1 14 ALA N N 6.735 -2.837 3.637 1.00 . A A . 14 ALA N 1 1 12 2829 1 1 14 ALA O O 7.025 0.346 4.991 1.00 . A A . 14 ALA O 1 1 12 2830 1 1 15 ILE C C 4.294 0.994 1.859 1.00 . A A . 15 ILE C 1 1 12 2831 1 1 15 ILE CA C 5.446 1.120 2.850 1.00 . A A . 15 ILE CA 1 1 12 2832 1 1 15 ILE CB C 6.361 2.278 2.411 1.00 . A A . 15 ILE CB 1 1 12 2833 1 1 15 ILE CD1 C 7.580 2.832 0.246 1.00 . A A . 15 ILE CD1 1 1 12 2834 1 1 15 ILE CG1 C 7.335 1.806 1.329 1.00 . A A . 15 ILE CG1 1 1 12 2835 1 1 15 ILE CG2 C 7.119 2.837 3.606 1.00 . A A . 15 ILE CG2 1 1 12 2836 1 1 15 ILE H H 6.138 -0.806 2.195 1.00 . A A . 15 ILE H 1 1 12 2837 1 1 15 ILE HA H 5.041 1.358 3.833 1.00 . A A . 15 ILE HA 1 1 12 2838 1 1 15 ILE HB H 5.736 3.073 2.005 1.00 . A A . 15 ILE HB 1 1 12 2839 1 1 15 ILE HD11 H 6.874 3.655 0.358 1.00 . A A . 15 ILE HD11 1 1 12 2840 1 1 15 ILE HD12 H 8.598 3.212 0.329 1.00 . A A . 15 ILE HD12 1 1 12 2841 1 1 15 ILE HD13 H 7.444 2.369 -0.731 1.00 . A A . 15 ILE HD13 1 1 12 2842 1 1 15 ILE HG13 H 6.934 0.909 0.857 1.00 . A A . 15 ILE HG13 1 1 12 2843 1 1 15 ILE HG21 H 7.228 3.916 3.494 1.00 . A A . 15 ILE HG21 1 1 12 2844 1 1 15 ILE HG22 H 6.566 2.621 4.520 1.00 . A A . 15 ILE HG22 1 1 12 2845 1 1 15 ILE HG23 H 8.105 2.376 3.660 1.00 . A A . 15 ILE HG23 1 1 12 2846 1 1 15 ILE N N 6.186 -0.132 2.959 1.00 . A A . 15 ILE N 1 1 12 2847 1 1 15 ILE O O 4.490 0.600 0.709 1.00 . A A . 15 ILE O 1 1 12 2848 1 1 16 CYS C C 1.657 2.588 0.761 1.00 . A A . 16 CYS C 1 1 12 2849 1 1 16 CYS CA C 1.906 1.257 1.466 1.00 . A A . 16 CYS CA 1 1 12 2850 1 1 16 CYS CB C 0.682 0.873 2.300 1.00 . A A . 16 CYS CB 1 1 12 2851 1 1 16 CYS H H 2.995 1.650 3.276 1.00 . A A . 16 CYS H 1 1 12 2852 1 1 16 CYS HA H 2.079 0.488 0.714 1.00 . A A . 16 CYS HA 1 1 12 2853 1 1 16 CYS HB3 H 0.846 -0.111 2.740 1.00 . A A . 16 CYS HB3 1 1 12 2854 1 1 16 CYS N N 3.091 1.332 2.312 1.00 . A A . 16 CYS N 1 1 12 2855 1 1 16 CYS O O 0.532 3.083 0.727 1.00 . A A . 16 CYS O 1 1 12 2856 1 1 16 CYS SG S 0.311 2.032 3.654 1.00 . A A . 16 CYS SG 1 1 12 2857 1 1 17 GLY C C 1.536 4.392 -1.582 1.00 . A A . 17 GLY C 1 1 12 2858 1 1 17 GLY CA C 2.594 4.428 -0.497 1.00 . A A . 17 GLY CA 1 1 12 2859 1 1 17 GLY H H 3.627 2.701 0.260 1.00 . A A . 17 GLY H 1 1 12 2860 1 1 17 GLY HA2 H 2.334 5.203 0.224 1.00 . A A . 17 GLY HA2 1 1 12 2861 1 1 17 GLY HA3 H 3.554 4.675 -0.951 1.00 . A A . 17 GLY HA3 1 1 12 2862 1 1 17 GLY N N 2.718 3.161 0.200 1.00 . A A . 17 GLY N 1 1 12 2863 1 1 17 GLY O O 1.005 5.429 -1.975 1.00 . A A . 17 GLY O 1 1 12 2864 1 1 18 GLY C C -1.083 3.720 -2.753 1.00 . A A . 18 GLY C 1 1 12 2865 1 1 18 GLY CA C 0.229 3.049 -3.110 1.00 . A A . 18 GLY CA 1 1 12 2866 1 1 18 GLY H H 1.702 2.367 -1.702 1.00 . A A . 18 GLY H 1 1 12 2867 1 1 18 GLY HA2 H 0.613 3.491 -4.030 1.00 . A A . 18 GLY HA2 1 1 12 2868 1 1 18 GLY HA3 H 0.046 1.988 -3.278 1.00 . A A . 18 GLY HA3 1 1 12 2869 1 1 18 GLY N N 1.228 3.193 -2.068 1.00 . A A . 18 GLY N 1 1 12 2870 1 1 18 GLY O O -1.872 4.062 -3.632 1.00 . A A . 18 GLY O 1 1 12 2871 1 1 19 ALA C C -2.741 5.903 -1.642 1.00 . A A . 19 ALA C 1 1 12 2872 1 1 19 ALA CA C -2.541 4.541 -0.986 1.00 . A A . 19 ALA CA 1 1 12 2873 1 1 19 ALA CB C -2.513 4.682 0.528 1.00 . A A . 19 ALA CB 1 1 12 2874 1 1 19 ALA H H -0.621 3.600 -0.777 1.00 . A A . 19 ALA H 1 1 12 2875 1 1 19 ALA HA H -3.378 3.895 -1.251 1.00 . A A . 19 ALA HA 1 1 12 2876 1 1 19 ALA HB1 H -2.969 3.802 0.981 1.00 . A A . 19 ALA HB1 1 1 12 2877 1 1 19 ALA HB2 H -1.481 4.771 0.866 1.00 . A A . 19 ALA HB2 1 1 12 2878 1 1 19 ALA HB3 H -3.071 5.572 0.819 1.00 . A A . 19 ALA HB3 1 1 12 2879 1 1 19 ALA N N -1.316 3.907 -1.458 1.00 . A A . 19 ALA N 1 1 12 2880 1 1 19 ALA O O -3.872 6.342 -1.851 1.00 . A A . 19 ALA O 1 1 12 2881 1 1 20 ALA C C -2.537 7.839 -3.871 1.00 . A A . 20 ALA C 1 1 12 2882 1 1 20 ALA CA C -1.692 7.878 -2.601 1.00 . A A . 20 ALA CA 1 1 12 2883 1 1 20 ALA CB C -0.288 8.373 -2.913 1.00 . A A . 20 ALA CB 1 1 12 2884 1 1 20 ALA H H -0.729 6.148 -1.769 1.00 . A A . 20 ALA H 1 1 12 2885 1 1 20 ALA HA H -2.147 8.574 -1.895 1.00 . A A . 20 ALA HA 1 1 12 2886 1 1 20 ALA HB1 H 0.031 9.071 -2.139 1.00 . A A . 20 ALA HB1 1 1 12 2887 1 1 20 ALA HB2 H 0.397 7.526 -2.944 1.00 . A A . 20 ALA HB2 1 1 12 2888 1 1 20 ALA HB3 H -0.287 8.876 -3.880 1.00 . A A . 20 ALA HB3 1 1 12 2889 1 1 20 ALA N N -1.637 6.567 -1.967 1.00 . A A . 20 ALA N 1 1 12 2890 1 1 20 ALA O O -3.464 8.631 -4.036 1.00 . A A . 20 ALA O 1 1 12 2891 1 1 21 GLY C C -4.335 6.217 -5.805 1.00 . A A . 21 GLY C 1 1 12 2892 1 1 21 GLY CA C -2.945 6.788 -6.009 1.00 . A A . 21 GLY CA 1 1 12 2893 1 1 21 GLY H H -1.429 6.283 -4.572 1.00 . A A . 21 GLY H 1 1 12 2894 1 1 21 GLY HA2 H -3.032 7.773 -6.468 1.00 . A A . 21 GLY HA2 1 1 12 2895 1 1 21 GLY HA3 H -2.392 6.133 -6.683 1.00 . A A . 21 GLY HA3 1 1 12 2896 1 1 21 GLY N N -2.208 6.912 -4.766 1.00 . A A . 21 GLY N 1 1 12 2897 1 1 21 GLY O O -5.284 6.622 -6.475 1.00 . A A . 21 GLY O 1 1 12 2898 1 1 22 GLY C C -5.891 4.245 -3.155 1.00 . A A . 22 GLY C 1 1 12 2899 1 1 22 GLY CA C -5.741 4.658 -4.606 1.00 . A A . 22 GLY CA 1 1 12 2900 1 1 22 GLY H H -3.630 4.977 -4.355 1.00 . A A . 22 GLY H 1 1 12 2901 1 1 22 GLY HA2 H -6.530 5.369 -4.853 1.00 . A A . 22 GLY HA2 1 1 12 2902 1 1 22 GLY HA3 H -5.851 3.776 -5.236 1.00 . A A . 22 GLY HA3 1 1 12 2903 1 1 22 GLY N N -4.455 5.272 -4.878 1.00 . A A . 22 GLY N 1 1 12 2904 1 1 22 GLY O O -6.145 5.079 -2.288 1.00 . A A . 22 GLY O 1 1 13 2905 1 1 1 GLY C C -5.130 1.055 -1.554 1.00 . A A . 1 GLY C 1 1 13 2906 1 1 1 GLY CA C -5.963 2.285 -1.853 1.00 . A A . 1 GLY CA 1 1 13 2907 1 1 1 GLY H1 H -5.664 2.235 -3.792 1.00 . A A . 1 GLY H1 1 1 13 2908 1 1 1 GLY HA2 H -5.862 2.988 -1.026 1.00 . A A . 1 GLY HA2 1 1 13 2909 1 1 1 GLY HA3 H -7.009 1.989 -1.940 1.00 . A A . 1 GLY HA3 1 1 13 2910 1 1 1 GLY N N -5.558 2.944 -3.081 1.00 . A A . 1 GLY N 1 1 13 2911 1 1 1 GLY O O -5.667 -0.001 -1.214 1.00 . A A . 1 GLY O 1 1 13 2912 1 1 2 CYS C C -2.802 -0.207 0.071 1.00 . A A . 2 CYS C 1 1 13 2913 1 1 2 CYS CA C -2.905 0.076 -1.425 1.00 . A A . 2 CYS CA 1 1 13 2914 1 1 2 CYS CB C -1.518 0.384 -1.993 1.00 . A A . 2 CYS CB 1 1 13 2915 1 1 2 CYS H H -3.431 2.088 -1.966 1.00 . A A . 2 CYS H 1 1 13 2916 1 1 2 CYS HA H -3.305 -0.807 -1.923 1.00 . A A . 2 CYS HA 1 1 13 2917 1 1 2 CYS HB3 H -0.764 -0.085 -1.362 1.00 . A A . 2 CYS HB3 1 1 13 2918 1 1 2 CYS N N -3.814 1.187 -1.681 1.00 . A A . 2 CYS N 1 1 13 2919 1 1 2 CYS O O -2.619 -1.352 0.486 1.00 . A A . 2 CYS O 1 1 13 2920 1 1 2 CYS SG S -1.265 -0.209 -3.697 1.00 . A A . 2 CYS SG 1 1 13 2921 1 1 3 CYS C C -3.918 -0.244 2.844 1.00 . A A . 3 CYS C 1 1 13 2922 1 1 3 CYS CA C -2.842 0.707 2.326 1.00 . A A . 3 CYS CA 1 1 13 2923 1 1 3 CYS CB C -2.990 2.075 2.995 1.00 . A A . 3 CYS CB 1 1 13 2924 1 1 3 CYS H H -3.071 1.767 0.472 1.00 . A A . 3 CYS H 1 1 13 2925 1 1 3 CYS HA H -1.863 0.297 2.571 1.00 . A A . 3 CYS HA 1 1 13 2926 1 1 3 CYS HB3 H -3.410 1.940 3.991 1.00 . A A . 3 CYS HB3 1 1 13 2927 1 1 3 CYS N N -2.922 0.842 0.876 1.00 . A A . 3 CYS N 1 1 13 2928 1 1 3 CYS O O -3.680 -1.022 3.767 1.00 . A A . 3 CYS O 1 1 13 2929 1 1 3 CYS SG S -1.425 2.991 3.172 1.00 . A A . 3 CYS SG 1 1 13 2930 1 1 4 SER C C -6.157 -2.369 1.926 1.00 . A A . 4 SER C 1 1 13 2931 1 1 4 SER CA C -6.214 -1.025 2.645 1.00 . A A . 4 SER CA 1 1 13 2932 1 1 4 SER CB C -7.546 -0.332 2.350 1.00 . A A . 4 SER CB 1 1 13 2933 1 1 4 SER H H -5.234 0.495 1.483 1.00 . A A . 4 SER H 1 1 13 2934 1 1 4 SER HA H -6.133 -1.196 3.719 1.00 . A A . 4 SER HA 1 1 13 2935 1 1 4 SER HB3 H -8.021 -0.814 1.495 1.00 . A A . 4 SER HB3 1 1 13 2936 1 1 4 SER HG H -9.262 0.040 3.248 1.00 . A A . 4 SER HG 1 1 13 2937 1 1 4 SER N N -5.101 -0.173 2.242 1.00 . A A . 4 SER N 1 1 13 2938 1 1 4 SER O O -6.353 -3.420 2.536 1.00 . A A . 4 SER O 1 1 13 2939 1 1 4 SER OG O -8.420 -0.412 3.462 1.00 . A A . 4 SER OG 1 1 13 2940 1 1 5 ASP C C -4.836 -4.542 0.451 1.00 . A A . 5 ASP C 1 1 13 2941 1 1 5 ASP CA C -5.801 -3.541 -0.177 1.00 . A A . 5 ASP CA 1 1 13 2942 1 1 5 ASP CB C -5.353 -3.206 -1.601 1.00 . A A . 5 ASP CB 1 1 13 2943 1 1 5 ASP CG C -5.921 -4.166 -2.627 1.00 . A A . 5 ASP CG 1 1 13 2944 1 1 5 ASP H H -5.734 -1.423 0.179 1.00 . A A . 5 ASP H 1 1 13 2945 1 1 5 ASP HA H -6.795 -3.988 -0.214 1.00 . A A . 5 ASP HA 1 1 13 2946 1 1 5 ASP HB3 H -4.265 -3.248 -1.652 1.00 . A A . 5 ASP HB3 1 1 13 2947 1 1 5 ASP N N -5.886 -2.327 0.626 1.00 . A A . 5 ASP N 1 1 13 2948 1 1 5 ASP O O -3.767 -4.184 0.944 1.00 . A A . 5 ASP O 1 1 13 2949 1 1 5 ASP OD1 O -5.169 -5.050 -3.092 1.00 . A A . 5 ASP OD1 1 1 13 2950 1 1 5 ASP OD2 O -7.116 -4.036 -2.964 1.00 . A A . 5 ASP OD2 1 1 13 2951 1 1 6 PRO C C -3.147 -7.170 0.178 1.00 . A A . 6 PRO C 1 1 13 2952 1 1 6 PRO CA C -4.405 -6.906 0.999 1.00 . A A . 6 PRO CA 1 1 13 2953 1 1 6 PRO CB C -5.338 -8.117 0.953 1.00 . A A . 6 PRO CB 1 1 13 2954 1 1 6 PRO CD C -6.483 -6.325 -0.137 1.00 . A A . 6 PRO CD 1 1 13 2955 1 1 6 PRO CG C -6.295 -7.817 -0.147 1.00 . A A . 6 PRO CG 1 1 13 2956 1 1 6 PRO HA H -4.126 -6.698 2.032 1.00 . A A . 6 PRO HA 1 1 13 2957 1 1 6 PRO HB3 H -5.851 -8.223 1.909 1.00 . A A . 6 PRO HB3 1 1 13 2958 1 1 6 PRO HD3 H -7.330 -6.052 0.493 1.00 . A A . 6 PRO HD3 1 1 13 2959 1 1 6 PRO HG3 H -7.245 -8.319 0.040 1.00 . A A . 6 PRO HG3 1 1 13 2960 1 1 6 PRO N N -5.222 -5.826 0.434 1.00 . A A . 6 PRO N 1 1 13 2961 1 1 6 PRO O O -2.049 -7.278 0.725 1.00 . A A . 6 PRO O 1 1 13 2962 1 1 7 ARG C C -1.084 -6.497 -1.819 1.00 . A A . 7 ARG C 1 1 13 2963 1 1 7 ARG CA C -2.191 -7.525 -2.032 1.00 . A A . 7 ARG CA 1 1 13 2964 1 1 7 ARG CB C -2.657 -7.495 -3.489 1.00 . A A . 7 ARG CB 1 1 13 2965 1 1 7 ARG CD C -3.714 -9.769 -3.333 1.00 . A A . 7 ARG CD 1 1 13 2966 1 1 7 ARG CG C -2.771 -8.872 -4.120 1.00 . A A . 7 ARG CG 1 1 13 2967 1 1 7 ARG CZ C -3.596 -11.872 -2.065 1.00 . A A . 7 ARG CZ 1 1 13 2968 1 1 7 ARG H H -4.250 -7.172 -1.529 1.00 . A A . 7 ARG H 1 1 13 2969 1 1 7 ARG HA H -1.798 -8.516 -1.806 1.00 . A A . 7 ARG HA 1 1 13 2970 1 1 7 ARG HB3 H -1.947 -6.910 -4.073 1.00 . A A . 7 ARG HB3 1 1 13 2971 1 1 7 ARG HD3 H -4.420 -10.227 -4.026 1.00 . A A . 7 ARG HD3 1 1 13 2972 1 1 7 ARG HE H -1.984 -10.742 -2.550 1.00 . A A . 7 ARG HE 1 1 13 2973 1 1 7 ARG HG3 H -1.783 -9.333 -4.147 1.00 . A A . 7 ARG HG3 1 1 13 2974 1 1 7 ARG HH11 H -5.469 -11.302 -2.628 1.00 . A A . 7 ARG HH11 1 1 13 2975 1 1 7 ARG HH12 H -5.369 -12.812 -1.715 1.00 . A A . 7 ARG HH12 1 1 13 2976 1 1 7 ARG HH21 H -1.863 -12.691 -1.372 1.00 . A A . 7 ARG HH21 1 1 13 2977 1 1 7 ARG HH22 H -3.336 -13.594 -1.006 1.00 . A A . 7 ARG HH22 1 1 13 2978 1 1 7 ARG N N -3.314 -7.272 -1.136 1.00 . A A . 7 ARG N 1 1 13 2979 1 1 7 ARG NE N -2.998 -10.824 -2.621 1.00 . A A . 7 ARG NE 1 1 13 2980 1 1 7 ARG NH1 N -4.913 -12.005 -2.141 1.00 . A A . 7 ARG NH1 1 1 13 2981 1 1 7 ARG NH2 N -2.876 -12.789 -1.432 1.00 . A A . 7 ARG NH2 1 1 13 2982 1 1 7 ARG O O 0.080 -6.852 -1.627 1.00 . A A . 7 ARG O 1 1 13 2983 1 1 8 CYS C C 0.104 -4.181 -0.263 1.00 . A A . 8 CYS C 1 1 13 2984 1 1 8 CYS CA C -0.493 -4.141 -1.667 1.00 . A A . 8 CYS CA 1 1 13 2985 1 1 8 CYS CB C -1.162 -2.787 -1.910 1.00 . A A . 8 CYS CB 1 1 13 2986 1 1 8 CYS H H -2.433 -4.991 -2.018 1.00 . A A . 8 CYS H 1 1 13 2987 1 1 8 CYS HA H 0.308 -4.275 -2.394 1.00 . A A . 8 CYS HA 1 1 13 2988 1 1 8 CYS HB3 H -0.660 -2.029 -1.309 1.00 . A A . 8 CYS HB3 1 1 13 2989 1 1 8 CYS N N -1.453 -5.221 -1.855 1.00 . A A . 8 CYS N 1 1 13 2990 1 1 8 CYS O O 1.237 -3.753 -0.046 1.00 . A A . 8 CYS O 1 1 13 2991 1 1 8 CYS SG S -1.120 -2.237 -3.646 1.00 . A A . 8 CYS SG 1 1 13 2992 1 1 9 ASN C C 0.896 -5.831 2.208 1.00 . A A . 9 ASN C 1 1 13 2993 1 1 9 ASN CA C -0.216 -4.796 2.070 1.00 . A A . 9 ASN CA 1 1 13 2994 1 1 9 ASN CB C -1.386 -5.163 2.986 1.00 . A A . 9 ASN CB 1 1 13 2995 1 1 9 ASN CG C -1.071 -4.923 4.450 1.00 . A A . 9 ASN CG 1 1 13 2996 1 1 9 ASN H H -1.598 -5.038 0.443 1.00 . A A . 9 ASN H 1 1 13 2997 1 1 9 ASN HA H 0.173 -3.821 2.363 1.00 . A A . 9 ASN HA 1 1 13 2998 1 1 9 ASN HB3 H -1.627 -6.217 2.852 1.00 . A A . 9 ASN HB3 1 1 13 2999 1 1 9 ASN HD21 H -1.144 -2.927 4.141 1.00 . A A . 9 ASN HD21 1 1 13 3000 1 1 9 ASN HD22 H -0.780 -3.464 5.818 1.00 . A A . 9 ASN HD22 1 1 13 3001 1 1 9 ASN N N -0.667 -4.699 0.687 1.00 . A A . 9 ASN N 1 1 13 3002 1 1 9 ASN ND2 N -0.991 -3.656 4.838 1.00 . A A . 9 ASN ND2 1 1 13 3003 1 1 9 ASN O O 1.941 -5.559 2.800 1.00 . A A . 9 ASN O 1 1 13 3004 1 1 9 ASN OD1 O -0.901 -5.866 5.222 1.00 . A A . 9 ASN OD1 1 1 13 3005 1 1 10 TYR C C 2.801 -7.835 0.758 1.00 . A A . 10 TYR C 1 1 13 3006 1 1 10 TYR CA C 1.646 -8.094 1.720 1.00 . A A . 10 TYR CA 1 1 13 3007 1 1 10 TYR CB C 0.985 -9.435 1.394 1.00 . A A . 10 TYR CB 1 1 13 3008 1 1 10 TYR CD1 C 2.846 -11.019 0.762 1.00 . A A . 10 TYR CD1 1 1 13 3009 1 1 10 TYR CD2 C 1.729 -11.368 2.838 1.00 . A A . 10 TYR CD2 1 1 13 3010 1 1 10 TYR CE1 C 3.657 -12.111 1.009 1.00 . A A . 10 TYR CE1 1 1 13 3011 1 1 10 TYR CE2 C 2.536 -12.460 3.094 1.00 . A A . 10 TYR CE2 1 1 13 3012 1 1 10 TYR CG C 1.869 -10.629 1.670 1.00 . A A . 10 TYR CG 1 1 13 3013 1 1 10 TYR CZ C 3.497 -12.827 2.177 1.00 . A A . 10 TYR CZ 1 1 13 3014 1 1 10 TYR H H -0.222 -7.180 1.181 1.00 . A A . 10 TYR H 1 1 13 3015 1 1 10 TYR HA H 2.037 -8.131 2.737 1.00 . A A . 10 TYR HA 1 1 13 3016 1 1 10 TYR HB3 H 0.718 -9.452 0.338 1.00 . A A . 10 TYR HB3 1 1 13 3017 1 1 10 TYR HD1 H 2.969 -10.456 -0.152 1.00 . A A . 10 TYR HD1 1 1 13 3018 1 1 10 TYR HD2 H 0.974 -11.079 3.553 1.00 . A A . 10 TYR HD2 1 1 13 3019 1 1 10 TYR HE1 H 4.411 -12.399 0.292 1.00 . A A . 10 TYR HE1 1 1 13 3020 1 1 10 TYR HE2 H 2.410 -13.022 4.008 1.00 . A A . 10 TYR HE2 1 1 13 3021 1 1 10 TYR HH H 4.234 -14.160 3.375 1.00 . A A . 10 TYR HH 1 1 13 3022 1 1 10 TYR N N 0.665 -7.018 1.657 1.00 . A A . 10 TYR N 1 1 13 3023 1 1 10 TYR O O 3.947 -8.186 1.037 1.00 . A A . 10 TYR O 1 1 13 3024 1 1 10 TYR OH O 4.303 -13.915 2.428 1.00 . A A . 10 TYR OH 1 1 13 3025 1 1 11 ALA C C 4.358 -5.725 -0.951 1.00 . A A . 11 ALA C 1 1 13 3026 1 1 11 ALA CA C 3.500 -6.911 -1.382 1.00 . A A . 11 ALA CA 1 1 13 3027 1 1 11 ALA CB C 2.842 -6.629 -2.724 1.00 . A A . 11 ALA CB 1 1 13 3028 1 1 11 ALA H H 1.519 -6.955 -0.550 1.00 . A A . 11 ALA H 1 1 13 3029 1 1 11 ALA HA H 4.140 -7.786 -1.495 1.00 . A A . 11 ALA HA 1 1 13 3030 1 1 11 ALA HB1 H 3.555 -6.825 -3.524 1.00 . A A . 11 ALA HB1 1 1 13 3031 1 1 11 ALA HB2 H 1.972 -7.275 -2.845 1.00 . A A . 11 ALA HB2 1 1 13 3032 1 1 11 ALA HB3 H 2.529 -5.586 -2.763 1.00 . A A . 11 ALA HB3 1 1 13 3033 1 1 11 ALA N N 2.489 -7.219 -0.377 1.00 . A A . 11 ALA N 1 1 13 3034 1 1 11 ALA O O 5.563 -5.695 -1.199 1.00 . A A . 11 ALA O 1 1 13 3035 1 1 12 HIS C C 4.274 -3.388 1.668 1.00 . A A . 12 HIS C 1 1 13 3036 1 1 12 HIS CA C 4.433 -3.559 0.160 1.00 . A A . 12 HIS CA 1 1 13 3037 1 1 12 HIS CB C 3.917 -2.269 -0.478 1.00 . A A . 12 HIS CB 1 1 13 3038 1 1 12 HIS CD2 C 2.339 -1.907 -2.505 1.00 . A A . 12 HIS CD2 1 1 13 3039 1 1 12 HIS CE1 C 3.331 -3.248 -3.927 1.00 . A A . 12 HIS CE1 1 1 13 3040 1 1 12 HIS CG C 3.403 -2.455 -1.872 1.00 . A A . 12 HIS CG 1 1 13 3041 1 1 12 HIS H H 2.726 -4.834 -0.130 1.00 . A A . 12 HIS H 1 1 13 3042 1 1 12 HIS HA H 5.491 -3.687 -0.069 1.00 . A A . 12 HIS HA 1 1 13 3043 1 1 12 HIS HB3 H 4.727 -1.541 -0.512 1.00 . A A . 12 HIS HB3 1 1 13 3044 1 1 12 HIS HD2 H 1.638 -1.201 -2.085 1.00 . A A . 12 HIS HD2 1 1 13 3045 1 1 12 HIS HE1 H 3.570 -3.799 -4.825 1.00 . A A . 12 HIS HE1 1 1 13 3046 1 1 12 HIS HE2 H 1.629 -2.187 -4.497 1.00 . A A . 12 HIS HE2 1 1 13 3047 1 1 12 HIS N N 3.727 -4.749 -0.304 1.00 . A A . 12 HIS N 1 1 13 3048 1 1 12 HIS ND1 N 4.003 -3.291 -2.791 1.00 . A A . 12 HIS ND1 1 1 13 3049 1 1 12 HIS NE2 N 2.317 -2.415 -3.780 1.00 . A A . 12 HIS NE2 1 1 13 3050 1 1 12 HIS O O 3.636 -2.451 2.147 1.00 . A A . 12 HIS O 1 1 13 3051 1 1 13 PRO C C 5.613 -3.139 4.493 1.00 . A A . 13 PRO C 1 1 13 3052 1 1 13 PRO CA C 4.805 -4.289 3.899 1.00 . A A . 13 PRO CA 1 1 13 3053 1 1 13 PRO CB C 5.413 -5.634 4.305 1.00 . A A . 13 PRO CB 1 1 13 3054 1 1 13 PRO CD C 5.644 -5.460 1.932 1.00 . A A . 13 PRO CD 1 1 13 3055 1 1 13 PRO CG C 6.302 -6.006 3.169 1.00 . A A . 13 PRO CG 1 1 13 3056 1 1 13 PRO HA H 3.777 -4.231 4.256 1.00 . A A . 13 PRO HA 1 1 13 3057 1 1 13 PRO HB3 H 4.619 -6.367 4.445 1.00 . A A . 13 PRO HB3 1 1 13 3058 1 1 13 PRO HD3 H 4.989 -6.209 1.487 1.00 . A A . 13 PRO HD3 1 1 13 3059 1 1 13 PRO HG3 H 6.388 -7.091 3.105 1.00 . A A . 13 PRO HG3 1 1 13 3060 1 1 13 PRO N N 4.868 -4.316 2.435 1.00 . A A . 13 PRO N 1 1 13 3061 1 1 13 PRO O O 5.258 -2.593 5.536 1.00 . A A . 13 PRO O 1 1 13 3062 1 1 14 ALA C C 6.803 -0.366 4.295 1.00 . A A . 14 ALA C 1 1 13 3063 1 1 14 ALA CA C 7.557 -1.691 4.280 1.00 . A A . 14 ALA CA 1 1 13 3064 1 1 14 ALA CB C 8.795 -1.587 3.401 1.00 . A A . 14 ALA CB 1 1 13 3065 1 1 14 ALA H H 6.941 -3.272 2.961 1.00 . A A . 14 ALA H 1 1 13 3066 1 1 14 ALA HA H 7.880 -1.924 5.294 1.00 . A A . 14 ALA HA 1 1 13 3067 1 1 14 ALA HB1 H 9.435 -2.452 3.573 1.00 . A A . 14 ALA HB1 1 1 13 3068 1 1 14 ALA HB2 H 8.495 -1.558 2.353 1.00 . A A . 14 ALA HB2 1 1 13 3069 1 1 14 ALA HB3 H 9.340 -0.676 3.648 1.00 . A A . 14 ALA HB3 1 1 13 3070 1 1 14 ALA N N 6.700 -2.778 3.820 1.00 . A A . 14 ALA N 1 1 13 3071 1 1 14 ALA O O 6.839 0.368 5.282 1.00 . A A . 14 ALA O 1 1 13 3072 1 1 15 ILE C C 4.264 1.048 2.027 1.00 . A A . 15 ILE C 1 1 13 3073 1 1 15 ILE CA C 5.358 1.171 3.081 1.00 . A A . 15 ILE CA 1 1 13 3074 1 1 15 ILE CB C 6.267 2.362 2.724 1.00 . A A . 15 ILE CB 1 1 13 3075 1 1 15 ILE CD1 C 7.914 3.113 0.935 1.00 . A A . 15 ILE CD1 1 1 13 3076 1 1 15 ILE CG1 C 7.304 1.946 1.679 1.00 . A A . 15 ILE CG1 1 1 13 3077 1 1 15 ILE CG2 C 6.952 2.899 3.972 1.00 . A A . 15 ILE CG2 1 1 13 3078 1 1 15 ILE H H 6.133 -0.718 2.409 1.00 . A A . 15 ILE H 1 1 13 3079 1 1 15 ILE HA H 4.897 1.369 4.048 1.00 . A A . 15 ILE HA 1 1 13 3080 1 1 15 ILE HB H 5.643 3.155 2.312 1.00 . A A . 15 ILE HB 1 1 13 3081 1 1 15 ILE HD11 H 8.999 3.007 0.920 1.00 . A A . 15 ILE HD11 1 1 13 3082 1 1 15 ILE HD12 H 7.535 3.132 -0.086 1.00 . A A . 15 ILE HD12 1 1 13 3083 1 1 15 ILE HD13 H 7.649 4.042 1.438 1.00 . A A . 15 ILE HD13 1 1 13 3084 1 1 15 ILE HG13 H 6.828 1.293 0.948 1.00 . A A . 15 ILE HG13 1 1 13 3085 1 1 15 ILE HG21 H 6.228 2.962 4.785 1.00 . A A . 15 ILE HG21 1 1 13 3086 1 1 15 ILE HG22 H 7.760 2.227 4.260 1.00 . A A . 15 ILE HG22 1 1 13 3087 1 1 15 ILE HG23 H 7.357 3.890 3.768 1.00 . A A . 15 ILE HG23 1 1 13 3088 1 1 15 ILE N N 6.121 -0.066 3.194 1.00 . A A . 15 ILE N 1 1 13 3089 1 1 15 ILE O O 4.529 0.692 0.879 1.00 . A A . 15 ILE O 1 1 13 3090 1 1 16 CYS C C 1.654 2.613 0.833 1.00 . A A . 16 CYS C 1 1 13 3091 1 1 16 CYS CA C 1.895 1.270 1.516 1.00 . A A . 16 CYS CA 1 1 13 3092 1 1 16 CYS CB C 0.637 0.838 2.272 1.00 . A A . 16 CYS CB 1 1 13 3093 1 1 16 CYS H H 2.876 1.635 3.391 1.00 . A A . 16 CYS H 1 1 13 3094 1 1 16 CYS HA H 2.124 0.526 0.753 1.00 . A A . 16 CYS HA 1 1 13 3095 1 1 16 CYS HB3 H 0.798 -0.156 2.690 1.00 . A A . 16 CYS HB3 1 1 13 3096 1 1 16 CYS N N 3.031 1.346 2.425 1.00 . A A . 16 CYS N 1 1 13 3097 1 1 16 CYS O O 0.523 3.093 0.765 1.00 . A A . 16 CYS O 1 1 13 3098 1 1 16 CYS SG S 0.174 1.947 3.639 1.00 . A A . 16 CYS SG 1 1 13 3099 1 1 17 GLY C C 1.603 4.471 -1.473 1.00 . A A . 17 GLY C 1 1 13 3100 1 1 17 GLY CA C 2.611 4.498 -0.342 1.00 . A A . 17 GLY CA 1 1 13 3101 1 1 17 GLY H H 3.639 2.769 0.415 1.00 . A A . 17 GLY H 1 1 13 3102 1 1 17 GLY HA2 H 2.305 5.250 0.386 1.00 . A A . 17 GLY HA2 1 1 13 3103 1 1 17 GLY HA3 H 3.586 4.772 -0.746 1.00 . A A . 17 GLY HA3 1 1 13 3104 1 1 17 GLY N N 2.726 3.216 0.328 1.00 . A A . 17 GLY N 1 1 13 3105 1 1 17 GLY O O 1.073 5.510 -1.867 1.00 . A A . 17 GLY O 1 1 13 3106 1 1 18 GLY C C -0.948 3.785 -2.777 1.00 . A A . 18 GLY C 1 1 13 3107 1 1 18 GLY CA C 0.389 3.145 -3.091 1.00 . A A . 18 GLY CA 1 1 13 3108 1 1 18 GLY H H 1.810 2.453 -1.632 1.00 . A A . 18 GLY H 1 1 13 3109 1 1 18 GLY HA2 H 0.807 3.616 -3.981 1.00 . A A . 18 GLY HA2 1 1 13 3110 1 1 18 GLY HA3 H 0.234 2.085 -3.291 1.00 . A A . 18 GLY HA3 1 1 13 3111 1 1 18 GLY N N 1.338 3.279 -2.001 1.00 . A A . 18 GLY N 1 1 13 3112 1 1 18 GLY O O -1.703 4.136 -3.684 1.00 . A A . 18 GLY O 1 1 13 3113 1 1 19 ALA C C -2.693 5.913 -1.692 1.00 . A A . 19 ALA C 1 1 13 3114 1 1 19 ALA CA C -2.499 4.539 -1.060 1.00 . A A . 19 ALA CA 1 1 13 3115 1 1 19 ALA CB C -2.542 4.643 0.457 1.00 . A A . 19 ALA CB 1 1 13 3116 1 1 19 ALA H H -0.574 3.624 -0.787 1.00 . A A . 19 ALA H 1 1 13 3117 1 1 19 ALA HA H -3.311 3.887 -1.378 1.00 . A A . 19 ALA HA 1 1 13 3118 1 1 19 ALA HB1 H -1.526 4.605 0.851 1.00 . A A . 19 ALA HB1 1 1 13 3119 1 1 19 ALA HB2 H -3.009 5.586 0.743 1.00 . A A . 19 ALA HB2 1 1 13 3120 1 1 19 ALA HB3 H -3.120 3.813 0.861 1.00 . A A . 19 ALA HB3 1 1 13 3121 1 1 19 ALA N N -1.244 3.936 -1.491 1.00 . A A . 19 ALA N 1 1 13 3122 1 1 19 ALA O O -3.822 6.342 -1.932 1.00 . A A . 19 ALA O 1 1 13 3123 1 1 20 ALA C C -2.430 7.902 -3.867 1.00 . A A . 20 ALA C 1 1 13 3124 1 1 20 ALA CA C -1.635 7.923 -2.566 1.00 . A A . 20 ALA CA 1 1 13 3125 1 1 20 ALA CB C -0.227 8.442 -2.813 1.00 . A A . 20 ALA CB 1 1 13 3126 1 1 20 ALA H H -0.680 6.186 -1.739 1.00 . A A . 20 ALA H 1 1 13 3127 1 1 20 ALA HA H -2.127 8.597 -1.864 1.00 . A A . 20 ALA HA 1 1 13 3128 1 1 20 ALA HB1 H 0.468 7.943 -2.137 1.00 . A A . 20 ALA HB1 1 1 13 3129 1 1 20 ALA HB2 H 0.060 8.239 -3.845 1.00 . A A . 20 ALA HB2 1 1 13 3130 1 1 20 ALA HB3 H -0.199 9.517 -2.634 1.00 . A A . 20 ALA HB3 1 1 13 3131 1 1 20 ALA N N -1.586 6.599 -1.961 1.00 . A A . 20 ALA N 1 1 13 3132 1 1 20 ALA O O -3.361 8.687 -4.051 1.00 . A A . 20 ALA O 1 1 13 3133 1 1 21 GLY C C -4.133 6.304 -5.905 1.00 . A A . 21 GLY C 1 1 13 3134 1 1 21 GLY CA C -2.744 6.897 -6.043 1.00 . A A . 21 GLY CA 1 1 13 3135 1 1 21 GLY H H -1.276 6.378 -4.562 1.00 . A A . 21 GLY H 1 1 13 3136 1 1 21 GLY HA2 H -2.826 7.890 -6.483 1.00 . A A . 21 GLY HA2 1 1 13 3137 1 1 21 GLY HA3 H -2.157 6.264 -6.709 1.00 . A A . 21 GLY HA3 1 1 13 3138 1 1 21 GLY N N -2.056 7.001 -4.770 1.00 . A A . 21 GLY N 1 1 13 3139 1 1 21 GLY O O -5.059 6.708 -6.606 1.00 . A A . 21 GLY O 1 1 13 3140 1 1 22 GLY C C -5.755 4.238 -3.361 1.00 . A A . 22 GLY C 1 1 13 3141 1 1 22 GLY CA C -5.563 4.706 -4.790 1.00 . A A . 22 GLY CA 1 1 13 3142 1 1 22 GLY H H -3.469 5.047 -4.449 1.00 . A A . 22 GLY H 1 1 13 3143 1 1 22 GLY HA2 H -6.352 5.416 -5.037 1.00 . A A . 22 GLY HA2 1 1 13 3144 1 1 22 GLY HA3 H -5.644 3.846 -5.454 1.00 . A A . 22 GLY HA3 1 1 13 3145 1 1 22 GLY N N -4.276 5.340 -5.000 1.00 . A A . 22 GLY N 1 1 13 3146 1 1 22 GLY O O -6.015 5.044 -2.468 1.00 . A A . 22 GLY O 1 1 14 3147 1 1 1 GLY C C -6.043 0.659 -1.655 1.00 . A A . 1 GLY C 1 1 14 3148 1 1 1 GLY CA C -6.942 1.815 -2.042 1.00 . A A . 1 GLY CA 1 1 14 3149 1 1 1 GLY H1 H -5.518 2.876 -2.876 1.00 . A A . 1 GLY H1 1 1 14 3150 1 1 1 GLY HA2 H -7.714 1.933 -1.280 1.00 . A A . 1 GLY HA2 1 1 14 3151 1 1 1 GLY HA3 H -7.419 1.586 -2.995 1.00 . A A . 1 GLY HA3 1 1 14 3152 1 1 1 GLY N N -6.216 3.065 -2.170 1.00 . A A . 1 GLY N 1 1 14 3153 1 1 1 GLY O O -6.482 -0.289 -1.002 1.00 . A A . 1 GLY O 1 1 14 3154 1 1 2 CYS C C -3.796 -0.620 -0.259 1.00 . A A . 2 CYS C 1 1 14 3155 1 1 2 CYS CA C -3.815 -0.318 -1.754 1.00 . A A . 2 CYS CA 1 1 14 3156 1 1 2 CYS CB C -2.417 0.094 -2.220 1.00 . A A . 2 CYS CB 1 1 14 3157 1 1 2 CYS H H -4.476 1.544 -2.598 1.00 . A A . 2 CYS H 1 1 14 3158 1 1 2 CYS HA H -4.117 -1.218 -2.291 1.00 . A A . 2 CYS HA 1 1 14 3159 1 1 2 CYS HB3 H -1.678 -0.318 -1.532 1.00 . A A . 2 CYS HB3 1 1 14 3160 1 1 2 CYS N N -4.779 0.733 -2.059 1.00 . A A . 2 CYS N 1 1 14 3161 1 1 2 CYS O O -3.787 -1.780 0.151 1.00 . A A . 2 CYS O 1 1 14 3162 1 1 2 CYS SG S -1.995 -0.479 -3.898 1.00 . A A . 2 CYS SG 1 1 14 3163 1 1 3 CYS C C -4.993 -0.498 2.483 1.00 . A A . 3 CYS C 1 1 14 3164 1 1 3 CYS CA C -3.772 0.282 2.002 1.00 . A A . 3 CYS CA 1 1 14 3165 1 1 3 CYS CB C -3.731 1.655 2.678 1.00 . A A . 3 CYS CB 1 1 14 3166 1 1 3 CYS H H -3.798 1.371 0.150 1.00 . A A . 3 CYS H 1 1 14 3167 1 1 3 CYS HA H -2.872 -0.272 2.271 1.00 . A A . 3 CYS HA 1 1 14 3168 1 1 3 CYS HB3 H -4.253 1.596 3.633 1.00 . A A . 3 CYS HB3 1 1 14 3169 1 1 3 CYS N N -3.790 0.433 0.553 1.00 . A A . 3 CYS N 1 1 14 3170 1 1 3 CYS O O -4.918 -1.250 3.455 1.00 . A A . 3 CYS O 1 1 14 3171 1 1 3 CYS SG S -2.049 2.274 3.001 1.00 . A A . 3 CYS SG 1 1 14 3172 1 1 4 SER C C -7.298 -2.466 1.751 1.00 . A A . 4 SER C 1 1 14 3173 1 1 4 SER CA C -7.352 -0.996 2.154 1.00 . A A . 4 SER CA 1 1 14 3174 1 1 4 SER CB C -8.548 -0.315 1.485 1.00 . A A . 4 SER CB 1 1 14 3175 1 1 4 SER H H -6.111 0.325 0.998 1.00 . A A . 4 SER H 1 1 14 3176 1 1 4 SER HA H -7.468 -0.932 3.236 1.00 . A A . 4 SER HA 1 1 14 3177 1 1 4 SER HB3 H -8.586 -0.606 0.434 1.00 . A A . 4 SER HB3 1 1 14 3178 1 1 4 SER HG H -10.512 -0.243 1.662 1.00 . A A . 4 SER HG 1 1 14 3179 1 1 4 SER N N -6.115 -0.312 1.796 1.00 . A A . 4 SER N 1 1 14 3180 1 1 4 SER O O -7.856 -3.329 2.429 1.00 . A A . 4 SER O 1 1 14 3181 1 1 4 SER OG O -9.763 -0.692 2.107 1.00 . A A . 4 SER OG 1 1 14 3182 1 1 5 ASP C C -5.289 -4.803 0.777 1.00 . A A . 5 ASP C 1 1 14 3183 1 1 5 ASP CA C -6.492 -4.109 0.147 1.00 . A A . 5 ASP CA 1 1 14 3184 1 1 5 ASP CB C -6.358 -4.112 -1.377 1.00 . A A . 5 ASP CB 1 1 14 3185 1 1 5 ASP CG C -6.942 -5.360 -2.007 1.00 . A A . 5 ASP CG 1 1 14 3186 1 1 5 ASP H H -6.181 -1.983 0.124 1.00 . A A . 5 ASP H 1 1 14 3187 1 1 5 ASP HA H -7.395 -4.653 0.423 1.00 . A A . 5 ASP HA 1 1 14 3188 1 1 5 ASP HB3 H -5.302 -4.052 -1.642 1.00 . A A . 5 ASP HB3 1 1 14 3189 1 1 5 ASP N N -6.621 -2.744 0.641 1.00 . A A . 5 ASP N 1 1 14 3190 1 1 5 ASP O O -4.218 -4.218 0.940 1.00 . A A . 5 ASP O 1 1 14 3191 1 1 5 ASP OD1 O -8.156 -5.600 -1.836 1.00 . A A . 5 ASP OD1 1 1 14 3192 1 1 5 ASP OD2 O -6.186 -6.098 -2.674 1.00 . A A . 5 ASP OD2 1 1 14 3193 1 1 6 PRO C C -3.286 -7.217 0.782 1.00 . A A . 6 PRO C 1 1 14 3194 1 1 6 PRO CA C -4.408 -6.884 1.760 1.00 . A A . 6 PRO CA 1 1 14 3195 1 1 6 PRO CB C -5.135 -8.158 2.195 1.00 . A A . 6 PRO CB 1 1 14 3196 1 1 6 PRO CD C -6.717 -6.843 0.979 1.00 . A A . 6 PRO CD 1 1 14 3197 1 1 6 PRO CG C -6.305 -8.258 1.278 1.00 . A A . 6 PRO CG 1 1 14 3198 1 1 6 PRO HA H -3.989 -6.387 2.635 1.00 . A A . 6 PRO HA 1 1 14 3199 1 1 6 PRO HB3 H -5.450 -8.066 3.234 1.00 . A A . 6 PRO HB3 1 1 14 3200 1 1 6 PRO HD3 H -7.473 -6.507 1.689 1.00 . A A . 6 PRO HD3 1 1 14 3201 1 1 6 PRO HG3 H -7.118 -8.791 1.772 1.00 . A A . 6 PRO HG3 1 1 14 3202 1 1 6 PRO N N -5.467 -6.083 1.141 1.00 . A A . 6 PRO N 1 1 14 3203 1 1 6 PRO O O -2.145 -7.441 1.184 1.00 . A A . 6 PRO O 1 1 14 3204 1 1 7 ARG C C -1.484 -6.562 -1.506 1.00 . A A . 7 ARG C 1 1 14 3205 1 1 7 ARG CA C -2.641 -7.556 -1.540 1.00 . A A . 7 ARG CA 1 1 14 3206 1 1 7 ARG CB C -3.303 -7.538 -2.919 1.00 . A A . 7 ARG CB 1 1 14 3207 1 1 7 ARG CD C -2.445 -9.350 -4.435 1.00 . A A . 7 ARG CD 1 1 14 3208 1 1 7 ARG CG C -2.353 -7.880 -4.055 1.00 . A A . 7 ARG CG 1 1 14 3209 1 1 7 ARG CZ C -0.167 -10.212 -4.108 1.00 . A A . 7 ARG CZ 1 1 14 3210 1 1 7 ARG H H -4.584 -7.055 -0.774 1.00 . A A . 7 ARG H 1 1 14 3211 1 1 7 ARG HA H -2.251 -8.555 -1.347 1.00 . A A . 7 ARG HA 1 1 14 3212 1 1 7 ARG HB3 H -3.708 -6.542 -3.101 1.00 . A A . 7 ARG HB3 1 1 14 3213 1 1 7 ARG HD3 H -2.296 -9.443 -5.511 1.00 . A A . 7 ARG HD3 1 1 14 3214 1 1 7 ARG HE H -1.750 -10.705 -2.941 1.00 . A A . 7 ARG HE 1 1 14 3215 1 1 7 ARG HG3 H -1.332 -7.657 -3.742 1.00 . A A . 7 ARG HG3 1 1 14 3216 1 1 7 ARG HH11 H -0.392 -8.926 -5.671 1.00 . A A . 7 ARG HH11 1 1 14 3217 1 1 7 ARG HH12 H 1.242 -9.554 -5.425 1.00 . A A . 7 ARG HH12 1 1 14 3218 1 1 7 ARG HH21 H 0.361 -11.511 -2.628 1.00 . A A . 7 ARG HH21 1 1 14 3219 1 1 7 ARG HH22 H 1.665 -11.012 -3.708 1.00 . A A . 7 ARG HH22 1 1 14 3220 1 1 7 ARG N N -3.620 -7.249 -0.505 1.00 . A A . 7 ARG N 1 1 14 3221 1 1 7 ARG NE N -1.443 -10.157 -3.744 1.00 . A A . 7 ARG NE 1 1 14 3222 1 1 7 ARG NH1 N 0.261 -9.510 -5.148 1.00 . A A . 7 ARG NH1 1 1 14 3223 1 1 7 ARG NH2 N 0.686 -10.970 -3.429 1.00 . A A . 7 ARG NH2 1 1 14 3224 1 1 7 ARG O O -0.319 -6.950 -1.416 1.00 . A A . 7 ARG O 1 1 14 3225 1 1 8 CYS C C -0.116 -4.158 -0.198 1.00 . A A . 8 CYS C 1 1 14 3226 1 1 8 CYS CA C -0.802 -4.225 -1.559 1.00 . A A . 8 CYS CA 1 1 14 3227 1 1 8 CYS CB C -1.437 -2.873 -1.890 1.00 . A A . 8 CYS CB 1 1 14 3228 1 1 8 CYS H H -2.797 -5.018 -1.654 1.00 . A A . 8 CYS H 1 1 14 3229 1 1 8 CYS HA H -0.056 -4.462 -2.318 1.00 . A A . 8 CYS HA 1 1 14 3230 1 1 8 CYS HB3 H -0.812 -2.078 -1.483 1.00 . A A . 8 CYS HB3 1 1 14 3231 1 1 8 CYS N N -1.813 -5.276 -1.580 1.00 . A A . 8 CYS N 1 1 14 3232 1 1 8 CYS O O 1.058 -3.804 -0.101 1.00 . A A . 8 CYS O 1 1 14 3233 1 1 8 CYS SG S -1.639 -2.562 -3.674 1.00 . A A . 8 CYS SG 1 1 14 3234 1 1 9 ASN C C 0.736 -5.565 2.389 1.00 . A A . 9 ASN C 1 1 14 3235 1 1 9 ASN CA C -0.319 -4.479 2.206 1.00 . A A . 9 ASN CA 1 1 14 3236 1 1 9 ASN CB C -1.445 -4.669 3.225 1.00 . A A . 9 ASN CB 1 1 14 3237 1 1 9 ASN CG C -1.149 -3.984 4.546 1.00 . A A . 9 ASN CG 1 1 14 3238 1 1 9 ASN H H -1.826 -4.785 0.703 1.00 . A A . 9 ASN H 1 1 14 3239 1 1 9 ASN HA H 0.143 -3.506 2.367 1.00 . A A . 9 ASN HA 1 1 14 3240 1 1 9 ASN HB3 H -1.583 -5.734 3.412 1.00 . A A . 9 ASN HB3 1 1 14 3241 1 1 9 ASN HD21 H -1.027 -2.204 3.597 1.00 . A A . 9 ASN HD21 1 1 14 3242 1 1 9 ASN HD22 H -0.761 -2.183 5.376 1.00 . A A . 9 ASN HD22 1 1 14 3243 1 1 9 ASN N N -0.857 -4.502 0.850 1.00 . A A . 9 ASN N 1 1 14 3244 1 1 9 ASN ND2 N -0.962 -2.670 4.502 1.00 . A A . 9 ASN ND2 1 1 14 3245 1 1 9 ASN O O 1.827 -5.305 2.898 1.00 . A A . 9 ASN O 1 1 14 3246 1 1 9 ASN OD1 O -1.091 -4.630 5.593 1.00 . A A . 9 ASN OD1 1 1 14 3247 1 1 10 TYR C C 2.433 -7.819 1.051 1.00 . A A . 10 TYR C 1 1 14 3248 1 1 10 TYR CA C 1.323 -7.908 2.093 1.00 . A A . 10 TYR CA 1 1 14 3249 1 1 10 TYR CB C 0.567 -9.229 1.938 1.00 . A A . 10 TYR CB 1 1 14 3250 1 1 10 TYR CD1 C 1.303 -10.785 3.785 1.00 . A A . 10 TYR CD1 1 1 14 3251 1 1 10 TYR CD2 C 2.096 -11.206 1.577 1.00 . A A . 10 TYR CD2 1 1 14 3252 1 1 10 TYR CE1 C 2.004 -11.881 4.250 1.00 . A A . 10 TYR CE1 1 1 14 3253 1 1 10 TYR CE2 C 2.799 -12.303 2.033 1.00 . A A . 10 TYR CE2 1 1 14 3254 1 1 10 TYR CG C 1.336 -10.429 2.443 1.00 . A A . 10 TYR CG 1 1 14 3255 1 1 10 TYR CZ C 2.750 -12.637 3.371 1.00 . A A . 10 TYR CZ 1 1 14 3256 1 1 10 TYR H H -0.517 -6.933 1.561 1.00 . A A . 10 TYR H 1 1 14 3257 1 1 10 TYR HA H 1.770 -7.871 3.086 1.00 . A A . 10 TYR HA 1 1 14 3258 1 1 10 TYR HB3 H 0.346 -9.391 0.883 1.00 . A A . 10 TYR HB3 1 1 14 3259 1 1 10 TYR HD1 H 0.718 -10.192 4.472 1.00 . A A . 10 TYR HD1 1 1 14 3260 1 1 10 TYR HD2 H 2.132 -10.942 0.531 1.00 . A A . 10 TYR HD2 1 1 14 3261 1 1 10 TYR HE1 H 1.966 -12.143 5.298 1.00 . A A . 10 TYR HE1 1 1 14 3262 1 1 10 TYR HE2 H 3.384 -12.896 1.345 1.00 . A A . 10 TYR HE2 1 1 14 3263 1 1 10 TYR HH H 3.917 -14.156 3.081 1.00 . A A . 10 TYR HH 1 1 14 3264 1 1 10 TYR N N 0.404 -6.782 1.973 1.00 . A A . 10 TYR N 1 1 14 3265 1 1 10 TYR O O 3.560 -8.252 1.289 1.00 . A A . 10 TYR O 1 1 14 3266 1 1 10 TYR OH O 3.450 -13.730 3.829 1.00 . A A . 10 TYR OH 1 1 14 3267 1 1 11 ALA C C 4.044 -5.963 -0.898 1.00 . A A . 11 ALA C 1 1 14 3268 1 1 11 ALA CA C 3.074 -7.103 -1.185 1.00 . A A . 11 ALA CA 1 1 14 3269 1 1 11 ALA CB C 2.359 -6.871 -2.508 1.00 . A A . 11 ALA CB 1 1 14 3270 1 1 11 ALA H H 1.154 -6.913 -0.242 1.00 . A A . 11 ALA H 1 1 14 3271 1 1 11 ALA HA H 3.636 -8.035 -1.263 1.00 . A A . 11 ALA HA 1 1 14 3272 1 1 11 ALA HB1 H 1.968 -5.854 -2.534 1.00 . A A . 11 ALA HB1 1 1 14 3273 1 1 11 ALA HB2 H 3.061 -7.013 -3.330 1.00 . A A . 11 ALA HB2 1 1 14 3274 1 1 11 ALA HB3 H 1.536 -7.579 -2.605 1.00 . A A . 11 ALA HB3 1 1 14 3275 1 1 11 ALA N N 2.105 -7.253 -0.106 1.00 . A A . 11 ALA N 1 1 14 3276 1 1 11 ALA O O 5.241 -6.068 -1.171 1.00 . A A . 11 ALA O 1 1 14 3277 1 1 12 HIS C C 4.285 -3.405 1.471 1.00 . A A . 12 HIS C 1 1 14 3278 1 1 12 HIS CA C 4.341 -3.710 -0.023 1.00 . A A . 12 HIS CA 1 1 14 3279 1 1 12 HIS CB C 3.893 -2.441 -0.748 1.00 . A A . 12 HIS CB 1 1 14 3280 1 1 12 HIS CD2 C 2.094 -2.154 -2.595 1.00 . A A . 12 HIS CD2 1 1 14 3281 1 1 12 HIS CE1 C 2.843 -3.654 -4.008 1.00 . A A . 12 HIS CE1 1 1 14 3282 1 1 12 HIS CG C 3.204 -2.707 -2.051 1.00 . A A . 12 HIS CG 1 1 14 3283 1 1 12 HIS H H 2.521 -4.848 -0.146 1.00 . A A . 12 HIS H 1 1 14 3284 1 1 12 HIS HA H 5.372 -3.942 -0.296 1.00 . A A . 12 HIS HA 1 1 14 3285 1 1 12 HIS HB3 H 4.764 -1.819 -0.952 1.00 . A A . 12 HIS HB3 1 1 14 3286 1 1 12 HIS HD2 H 1.483 -1.380 -2.156 1.00 . A A . 12 HIS HD2 1 1 14 3287 1 1 12 HIS HE1 H 2.944 -4.287 -4.877 1.00 . A A . 12 HIS HE1 1 1 14 3288 1 1 12 HIS HE2 H 1.130 -2.550 -4.458 1.00 . A A . 12 HIS HE2 1 1 14 3289 1 1 12 HIS N N 3.521 -4.871 -0.347 1.00 . A A . 12 HIS N 1 1 14 3290 1 1 12 HIS ND1 N 3.648 -3.644 -2.961 1.00 . A A . 12 HIS ND1 1 1 14 3291 1 1 12 HIS NE2 N 1.892 -2.759 -3.811 1.00 . A A . 12 HIS NE2 1 1 14 3292 1 1 12 HIS O O 3.783 -2.364 1.897 1.00 . A A . 12 HIS O 1 1 14 3293 1 1 13 PRO C C 5.793 -3.094 4.202 1.00 . A A . 13 PRO C 1 1 14 3294 1 1 13 PRO CA C 4.830 -4.183 3.744 1.00 . A A . 13 PRO CA 1 1 14 3295 1 1 13 PRO CB C 5.301 -5.555 4.233 1.00 . A A . 13 PRO CB 1 1 14 3296 1 1 13 PRO CD C 5.423 -5.595 1.846 1.00 . A A . 13 PRO CD 1 1 14 3297 1 1 13 PRO CG C 6.081 -6.115 3.094 1.00 . A A . 13 PRO CG 1 1 14 3298 1 1 13 PRO HA H 3.835 -3.977 4.139 1.00 . A A . 13 PRO HA 1 1 14 3299 1 1 13 PRO HB3 H 4.438 -6.176 4.470 1.00 . A A . 13 PRO HB3 1 1 14 3300 1 1 13 PRO HD3 H 4.664 -6.296 1.496 1.00 . A A . 13 PRO HD3 1 1 14 3301 1 1 13 PRO HG3 H 6.039 -7.204 3.118 1.00 . A A . 13 PRO HG3 1 1 14 3302 1 1 13 PRO N N 4.809 -4.332 2.285 1.00 . A A . 13 PRO N 1 1 14 3303 1 1 13 PRO O O 5.539 -2.401 5.187 1.00 . A A . 13 PRO O 1 1 14 3304 1 1 14 ALA C C 7.280 -0.549 3.876 1.00 . A A . 14 ALA C 1 1 14 3305 1 1 14 ALA CA C 7.901 -1.940 3.813 1.00 . A A . 14 ALA CA 1 1 14 3306 1 1 14 ALA CB C 9.035 -1.969 2.799 1.00 . A A . 14 ALA CB 1 1 14 3307 1 1 14 ALA H H 7.054 -3.554 2.675 1.00 . A A . 14 ALA H 1 1 14 3308 1 1 14 ALA HA H 8.315 -2.187 4.790 1.00 . A A . 14 ALA HA 1 1 14 3309 1 1 14 ALA HB1 H 9.504 -0.986 2.753 1.00 . A A . 14 ALA HB1 1 1 14 3310 1 1 14 ALA HB2 H 9.773 -2.711 3.101 1.00 . A A . 14 ALA HB2 1 1 14 3311 1 1 14 ALA HB3 H 8.638 -2.229 1.818 1.00 . A A . 14 ALA HB3 1 1 14 3312 1 1 14 ALA N N 6.901 -2.947 3.481 1.00 . A A . 14 ALA N 1 1 14 3313 1 1 14 ALA O O 7.515 0.204 4.821 1.00 . A A . 14 ALA O 1 1 14 3314 1 1 15 ILE C C 4.577 1.031 1.938 1.00 . A A . 15 ILE C 1 1 14 3315 1 1 15 ILE CA C 5.830 1.086 2.805 1.00 . A A . 15 ILE CA 1 1 14 3316 1 1 15 ILE CB C 6.776 2.168 2.254 1.00 . A A . 15 ILE CB 1 1 14 3317 1 1 15 ILE CD1 C 8.285 2.705 0.275 1.00 . A A . 15 ILE CD1 1 1 14 3318 1 1 15 ILE CG1 C 7.554 1.631 1.052 1.00 . A A . 15 ILE CG1 1 1 14 3319 1 1 15 ILE CG2 C 7.729 2.643 3.340 1.00 . A A . 15 ILE CG2 1 1 14 3320 1 1 15 ILE H H 6.330 -0.885 2.110 1.00 . A A . 15 ILE H 1 1 14 3321 1 1 15 ILE HA H 5.544 1.364 3.819 1.00 . A A . 15 ILE HA 1 1 14 3322 1 1 15 ILE HB H 6.173 3.018 1.937 1.00 . A A . 15 ILE HB 1 1 14 3323 1 1 15 ILE HD11 H 9.136 3.059 0.857 1.00 . A A . 15 ILE HD11 1 1 14 3324 1 1 15 ILE HD12 H 8.637 2.295 -0.671 1.00 . A A . 15 ILE HD12 1 1 14 3325 1 1 15 ILE HD13 H 7.607 3.536 0.081 1.00 . A A . 15 ILE HD13 1 1 14 3326 1 1 15 ILE HG13 H 6.862 1.138 0.370 1.00 . A A . 15 ILE HG13 1 1 14 3327 1 1 15 ILE HG21 H 8.574 1.957 3.407 1.00 . A A . 15 ILE HG21 1 1 14 3328 1 1 15 ILE HG22 H 8.091 3.642 3.096 1.00 . A A . 15 ILE HG22 1 1 14 3329 1 1 15 ILE HG23 H 7.207 2.667 4.296 1.00 . A A . 15 ILE HG23 1 1 14 3330 1 1 15 ILE N N 6.485 -0.216 2.864 1.00 . A A . 15 ILE N 1 1 14 3331 1 1 15 ILE O O 4.620 0.578 0.794 1.00 . A A . 15 ILE O 1 1 14 3332 1 1 16 CYS C C 2.151 2.650 0.758 1.00 . A A . 16 CYS C 1 1 14 3333 1 1 16 CYS CA C 2.195 1.505 1.766 1.00 . A A . 16 CYS CA 1 1 14 3334 1 1 16 CYS CB C 1.026 1.627 2.746 1.00 . A A . 16 CYS CB 1 1 14 3335 1 1 16 CYS H H 3.493 1.862 3.441 1.00 . A A . 16 CYS H 1 1 14 3336 1 1 16 CYS HA H 2.111 0.560 1.228 1.00 . A A . 16 CYS HA 1 1 14 3337 1 1 16 CYS HB3 H 1.038 2.622 3.191 1.00 . A A . 16 CYS HB3 1 1 14 3338 1 1 16 CYS N N 3.462 1.499 2.489 1.00 . A A . 16 CYS N 1 1 14 3339 1 1 16 CYS O O 1.284 3.521 0.829 1.00 . A A . 16 CYS O 1 1 14 3340 1 1 16 CYS SG S -0.610 1.378 1.985 1.00 . A A . 16 CYS SG 1 1 14 3341 1 1 17 GLY C C 1.852 3.788 -1.980 1.00 . A A . 17 GLY C 1 1 14 3342 1 1 17 GLY CA C 3.143 3.683 -1.190 1.00 . A A . 17 GLY CA 1 1 14 3343 1 1 17 GLY H H 3.785 1.892 -0.189 1.00 . A A . 17 GLY H 1 1 14 3344 1 1 17 GLY HA2 H 3.335 4.638 -0.702 1.00 . A A . 17 GLY HA2 1 1 14 3345 1 1 17 GLY HA3 H 3.959 3.465 -1.880 1.00 . A A . 17 GLY HA3 1 1 14 3346 1 1 17 GLY N N 3.092 2.641 -0.181 1.00 . A A . 17 GLY N 1 1 14 3347 1 1 17 GLY O O 1.472 4.872 -2.419 1.00 . A A . 17 GLY O 1 1 14 3348 1 1 18 GLY C C -1.101 3.587 -2.319 1.00 . A A . 18 GLY C 1 1 14 3349 1 1 18 GLY CA C -0.067 2.647 -2.907 1.00 . A A . 18 GLY CA 1 1 14 3350 1 1 18 GLY H H 1.546 1.787 -1.776 1.00 . A A . 18 GLY H 1 1 14 3351 1 1 18 GLY HA2 H 0.134 2.943 -3.936 1.00 . A A . 18 GLY HA2 1 1 14 3352 1 1 18 GLY HA3 H -0.471 1.635 -2.904 1.00 . A A . 18 GLY HA3 1 1 14 3353 1 1 18 GLY N N 1.178 2.656 -2.163 1.00 . A A . 18 GLY N 1 1 14 3354 1 1 18 GLY O O -2.020 4.021 -3.012 1.00 . A A . 18 GLY O 1 1 14 3355 1 1 19 ALA C C -1.994 6.127 -1.087 1.00 . A A . 19 ALA C 1 1 14 3356 1 1 19 ALA CA C -1.879 4.795 -0.355 1.00 . A A . 19 ALA CA 1 1 14 3357 1 1 19 ALA CB C -1.437 5.017 1.084 1.00 . A A . 19 ALA CB 1 1 14 3358 1 1 19 ALA H H -0.167 3.506 -0.517 1.00 . A A . 19 ALA H 1 1 14 3359 1 1 19 ALA HA H -2.858 4.316 -0.338 1.00 . A A . 19 ALA HA 1 1 14 3360 1 1 19 ALA HB1 H -0.868 5.944 1.149 1.00 . A A . 19 ALA HB1 1 1 14 3361 1 1 19 ALA HB2 H -2.314 5.083 1.727 1.00 . A A . 19 ALA HB2 1 1 14 3362 1 1 19 ALA HB3 H -0.812 4.184 1.404 1.00 . A A . 19 ALA HB3 1 1 14 3363 1 1 19 ALA N N -0.951 3.901 -1.036 1.00 . A A . 19 ALA N 1 1 14 3364 1 1 19 ALA O O -3.053 6.755 -1.092 1.00 . A A . 19 ALA O 1 1 14 3365 1 1 20 ALA C C -1.974 7.850 -3.496 1.00 . A A . 20 ALA C 1 1 14 3366 1 1 20 ALA CA C -0.875 7.813 -2.440 1.00 . A A . 20 ALA CA 1 1 14 3367 1 1 20 ALA CB C 0.487 8.025 -3.084 1.00 . A A . 20 ALA CB 1 1 14 3368 1 1 20 ALA H H -0.049 5.989 -1.661 1.00 . A A . 20 ALA H 1 1 14 3369 1 1 20 ALA HA H -1.042 8.621 -1.729 1.00 . A A . 20 ALA HA 1 1 14 3370 1 1 20 ALA HB1 H 0.576 7.384 -3.962 1.00 . A A . 20 ALA HB1 1 1 14 3371 1 1 20 ALA HB2 H 0.590 9.068 -3.382 1.00 . A A . 20 ALA HB2 1 1 14 3372 1 1 20 ALA HB3 H 1.270 7.772 -2.370 1.00 . A A . 20 ALA HB3 1 1 14 3373 1 1 20 ALA N N -0.896 6.555 -1.703 1.00 . A A . 20 ALA N 1 1 14 3374 1 1 20 ALA O O -2.771 8.785 -3.545 1.00 . A A . 20 ALA O 1 1 14 3375 1 1 21 GLY C C -4.399 6.472 -4.843 1.00 . A A . 21 GLY C 1 1 14 3376 1 1 21 GLY CA C -3.014 6.760 -5.388 1.00 . A A . 21 GLY CA 1 1 14 3377 1 1 21 GLY H H -1.321 6.078 -4.253 1.00 . A A . 21 GLY H 1 1 14 3378 1 1 21 GLY HA2 H -3.034 7.713 -5.916 1.00 . A A . 21 GLY HA2 1 1 14 3379 1 1 21 GLY HA3 H -2.740 5.972 -6.089 1.00 . A A . 21 GLY HA3 1 1 14 3380 1 1 21 GLY N N -2.009 6.824 -4.342 1.00 . A A . 21 GLY N 1 1 14 3381 1 1 21 GLY O O -5.384 7.056 -5.293 1.00 . A A . 21 GLY O 1 1 14 3382 1 1 22 GLY C C -6.021 3.724 -3.323 1.00 . A A . 22 GLY C 1 1 14 3383 1 1 22 GLY CA C -5.755 5.216 -3.284 1.00 . A A . 22 GLY CA 1 1 14 3384 1 1 22 GLY H H -3.623 5.114 -3.541 1.00 . A A . 22 GLY H 1 1 14 3385 1 1 22 GLY HA2 H -5.769 5.551 -2.246 1.00 . A A . 22 GLY HA2 1 1 14 3386 1 1 22 GLY HA3 H -6.545 5.727 -3.832 1.00 . A A . 22 GLY HA3 1 1 14 3387 1 1 22 GLY N N -4.475 5.566 -3.873 1.00 . A A . 22 GLY N 1 1 14 3388 1 1 22 GLY O O -6.076 3.124 -4.396 1.00 . A A . 22 GLY O 1 1 15 3389 1 1 1 GLY C C -5.974 0.909 -1.621 1.00 . A A . 1 GLY C 1 1 15 3390 1 1 1 GLY CA C -6.828 2.136 -1.867 1.00 . A A . 1 GLY CA 1 1 15 3391 1 1 1 GLY H1 H -5.875 2.692 -3.490 1.00 . A A . 1 GLY H1 1 1 15 3392 1 1 1 GLY HA2 H -7.127 2.556 -0.907 1.00 . A A . 1 GLY HA2 1 1 15 3393 1 1 1 GLY HA3 H -7.722 1.838 -2.416 1.00 . A A . 1 GLY HA3 1 1 15 3394 1 1 1 GLY N N -6.130 3.155 -2.629 1.00 . A A . 1 GLY N 1 1 15 3395 1 1 1 GLY O O -6.494 -0.192 -1.437 1.00 . A A . 1 GLY O 1 1 15 3396 1 1 2 CYS C C -3.727 -0.426 0.071 1.00 . A A . 2 CYS C 1 1 15 3397 1 1 2 CYS CA C -3.729 -0.005 -1.396 1.00 . A A . 2 CYS CA 1 1 15 3398 1 1 2 CYS CB C -2.317 0.398 -1.824 1.00 . A A . 2 CYS CB 1 1 15 3399 1 1 2 CYS H H -4.289 2.034 -1.777 1.00 . A A . 2 CYS H 1 1 15 3400 1 1 2 CYS HA H -4.057 -0.849 -2.003 1.00 . A A . 2 CYS HA 1 1 15 3401 1 1 2 CYS HB3 H -1.594 -0.083 -1.166 1.00 . A A . 2 CYS HB3 1 1 15 3402 1 1 2 CYS N N -4.658 1.096 -1.619 1.00 . A A . 2 CYS N 1 1 15 3403 1 1 2 CYS O O -3.728 -1.616 0.387 1.00 . A A . 2 CYS O 1 1 15 3404 1 1 2 CYS SG S -1.899 -0.062 -3.537 1.00 . A A . 2 CYS SG 1 1 15 3405 1 1 3 CYS C C -4.946 -0.524 2.800 1.00 . A A . 3 CYS C 1 1 15 3406 1 1 3 CYS CA C -3.722 0.292 2.397 1.00 . A A . 3 CYS CA 1 1 15 3407 1 1 3 CYS CB C -3.689 1.606 3.181 1.00 . A A . 3 CYS CB 1 1 15 3408 1 1 3 CYS H H -3.723 1.525 0.638 1.00 . A A . 3 CYS H 1 1 15 3409 1 1 3 CYS HA H -2.825 -0.282 2.630 1.00 . A A . 3 CYS HA 1 1 15 3410 1 1 3 CYS HB3 H -4.212 1.467 4.126 1.00 . A A . 3 CYS HB3 1 1 15 3411 1 1 3 CYS N N -3.724 0.559 0.964 1.00 . A A . 3 CYS N 1 1 15 3412 1 1 3 CYS O O -4.881 -1.351 3.709 1.00 . A A . 3 CYS O 1 1 15 3413 1 1 3 CYS SG S -2.011 2.207 3.555 1.00 . A A . 3 CYS SG 1 1 15 3414 1 1 4 SER C C -7.232 -2.435 1.910 1.00 . A A . 4 SER C 1 1 15 3415 1 1 4 SER CA C -7.301 -0.994 2.407 1.00 . A A . 4 SER CA 1 1 15 3416 1 1 4 SER CB C -8.487 -0.276 1.760 1.00 . A A . 4 SER CB 1 1 15 3417 1 1 4 SER H H -6.049 0.414 1.376 1.00 . A A . 4 SER H 1 1 15 3418 1 1 4 SER HA H -7.438 -1.002 3.489 1.00 . A A . 4 SER HA 1 1 15 3419 1 1 4 SER HB3 H -9.283 -0.159 2.496 1.00 . A A . 4 SER HB3 1 1 15 3420 1 1 4 SER HG H -8.886 1.443 0.875 1.00 . A A . 4 SER HG 1 1 15 3421 1 1 4 SER N N -6.062 -0.285 2.118 1.00 . A A . 4 SER N 1 1 15 3422 1 1 4 SER O O -7.796 -3.342 2.522 1.00 . A A . 4 SER O 1 1 15 3423 1 1 4 SER OG O -8.112 1.005 1.286 1.00 . A A . 4 SER OG 1 1 15 3424 1 1 5 ASP C C -5.184 -4.689 0.809 1.00 . A A . 5 ASP C 1 1 15 3425 1 1 5 ASP CA C -6.390 -3.966 0.217 1.00 . A A . 5 ASP CA 1 1 15 3426 1 1 5 ASP CB C -6.247 -3.870 -1.303 1.00 . A A . 5 ASP CB 1 1 15 3427 1 1 5 ASP CG C -6.815 -5.082 -2.016 1.00 . A A . 5 ASP CG 1 1 15 3428 1 1 5 ASP H H -6.092 -1.842 0.337 1.00 . A A . 5 ASP H 1 1 15 3429 1 1 5 ASP HA H -7.290 -4.534 0.453 1.00 . A A . 5 ASP HA 1 1 15 3430 1 1 5 ASP HB3 H -5.191 -3.784 -1.558 1.00 . A A . 5 ASP HB3 1 1 15 3431 1 1 5 ASP N N -6.537 -2.637 0.797 1.00 . A A . 5 ASP N 1 1 15 3432 1 1 5 ASP O O -4.119 -4.106 1.012 1.00 . A A . 5 ASP O 1 1 15 3433 1 1 5 ASP OD1 O -6.019 -5.908 -2.510 1.00 . A A . 5 ASP OD1 1 1 15 3434 1 1 5 ASP OD2 O -8.056 -5.206 -2.079 1.00 . A A . 5 ASP OD2 1 1 15 3435 1 1 6 PRO C C -3.161 -7.082 0.675 1.00 . A A . 6 PRO C 1 1 15 3436 1 1 6 PRO CA C -4.290 -6.818 1.666 1.00 . A A . 6 PRO CA 1 1 15 3437 1 1 6 PRO CB C -5.008 -8.124 2.017 1.00 . A A . 6 PRO CB 1 1 15 3438 1 1 6 PRO CD C -6.596 -6.749 0.876 1.00 . A A . 6 PRO CD 1 1 15 3439 1 1 6 PRO CG C -6.173 -8.175 1.091 1.00 . A A . 6 PRO CG 1 1 15 3440 1 1 6 PRO HA H -3.878 -6.373 2.572 1.00 . A A . 6 PRO HA 1 1 15 3441 1 1 6 PRO HB3 H -5.328 -8.098 3.059 1.00 . A A . 6 PRO HB3 1 1 15 3442 1 1 6 PRO HD3 H -7.357 -6.464 1.603 1.00 . A A . 6 PRO HD3 1 1 15 3443 1 1 6 PRO HG3 H -6.983 -8.745 1.547 1.00 . A A . 6 PRO HG3 1 1 15 3444 1 1 6 PRO N N -5.353 -5.988 1.093 1.00 . A A . 6 PRO N 1 1 15 3445 1 1 6 PRO O O -2.014 -7.297 1.068 1.00 . A A . 6 PRO O 1 1 15 3446 1 1 7 ARG C C -1.356 -6.302 -1.559 1.00 . A A . 7 ARG C 1 1 15 3447 1 1 7 ARG CA C -2.508 -7.298 -1.659 1.00 . A A . 7 ARG CA 1 1 15 3448 1 1 7 ARG CB C -3.164 -7.199 -3.038 1.00 . A A . 7 ARG CB 1 1 15 3449 1 1 7 ARG CD C -3.268 -9.455 -4.138 1.00 . A A . 7 ARG CD 1 1 15 3450 1 1 7 ARG CG C -4.044 -8.389 -3.382 1.00 . A A . 7 ARG CG 1 1 15 3451 1 1 7 ARG CZ C -1.422 -11.010 -3.672 1.00 . A A . 7 ARG CZ 1 1 15 3452 1 1 7 ARG H H -4.463 -6.876 -0.873 1.00 . A A . 7 ARG H 1 1 15 3453 1 1 7 ARG HA H -2.113 -8.306 -1.527 1.00 . A A . 7 ARG HA 1 1 15 3454 1 1 7 ARG HB3 H -2.382 -7.121 -3.794 1.00 . A A . 7 ARG HB3 1 1 15 3455 1 1 7 ARG HD3 H -2.634 -8.967 -4.878 1.00 . A A . 7 ARG HD3 1 1 15 3456 1 1 7 ARG HE H -2.642 -10.232 -2.253 1.00 . A A . 7 ARG HE 1 1 15 3457 1 1 7 ARG HG3 H -4.874 -8.048 -4.001 1.00 . A A . 7 ARG HG3 1 1 15 3458 1 1 7 ARG HH11 H -1.673 -10.525 -5.634 1.00 . A A . 7 ARG HH11 1 1 15 3459 1 1 7 ARG HH12 H -0.348 -11.641 -5.286 1.00 . A A . 7 ARG HH12 1 1 15 3460 1 1 7 ARG HH21 H -0.930 -11.673 -1.808 1.00 . A A . 7 ARG HH21 1 1 15 3461 1 1 7 ARG HH22 H 0.069 -12.290 -3.129 1.00 . A A . 7 ARG HH22 1 1 15 3462 1 1 7 ARG N N -3.494 -7.061 -0.612 1.00 . A A . 7 ARG N 1 1 15 3463 1 1 7 ARG NE N -2.431 -10.257 -3.250 1.00 . A A . 7 ARG NE 1 1 15 3464 1 1 7 ARG NH1 N -1.125 -11.063 -4.964 1.00 . A A . 7 ARG NH1 1 1 15 3465 1 1 7 ARG NH2 N -0.706 -11.712 -2.803 1.00 . A A . 7 ARG NH2 1 1 15 3466 1 1 7 ARG O O -0.191 -6.690 -1.485 1.00 . A A . 7 ARG O 1 1 15 3467 1 1 8 CYS C C 0.000 -3.984 -0.101 1.00 . A A . 8 CYS C 1 1 15 3468 1 1 8 CYS CA C -0.688 -3.963 -1.464 1.00 . A A . 8 CYS CA 1 1 15 3469 1 1 8 CYS CB C -1.330 -2.595 -1.702 1.00 . A A . 8 CYS CB 1 1 15 3470 1 1 8 CYS H H -2.678 -4.758 -1.618 1.00 . A A . 8 CYS H 1 1 15 3471 1 1 8 CYS HA H 0.059 -4.145 -2.237 1.00 . A A . 8 CYS HA 1 1 15 3472 1 1 8 CYS HB3 H -0.725 -1.830 -1.216 1.00 . A A . 8 CYS HB3 1 1 15 3473 1 1 8 CYS N N -1.693 -5.017 -1.555 1.00 . A A . 8 CYS N 1 1 15 3474 1 1 8 CYS O O 1.169 -3.620 0.020 1.00 . A A . 8 CYS O 1 1 15 3475 1 1 8 CYS SG S -1.488 -2.145 -3.460 1.00 . A A . 8 CYS SG 1 1 15 3476 1 1 9 ASN C C 0.875 -5.562 2.379 1.00 . A A . 9 ASN C 1 1 15 3477 1 1 9 ASN CA C -0.197 -4.481 2.273 1.00 . A A . 9 ASN CA 1 1 15 3478 1 1 9 ASN CB C -1.317 -4.759 3.278 1.00 . A A . 9 ASN CB 1 1 15 3479 1 1 9 ASN CG C -1.330 -3.762 4.421 1.00 . A A . 9 ASN CG 1 1 15 3480 1 1 9 ASN H H -1.699 -4.701 0.753 1.00 . A A . 9 ASN H 1 1 15 3481 1 1 9 ASN HA H 0.254 -3.515 2.503 1.00 . A A . 9 ASN HA 1 1 15 3482 1 1 9 ASN HB3 H -1.187 -5.759 3.692 1.00 . A A . 9 ASN HB3 1 1 15 3483 1 1 9 ASN HD21 H -1.994 -2.326 3.163 1.00 . A A . 9 ASN HD21 1 1 15 3484 1 1 9 ASN HD22 H -1.742 -1.838 4.876 1.00 . A A . 9 ASN HD22 1 1 15 3485 1 1 9 ASN N N -0.735 -4.413 0.920 1.00 . A A . 9 ASN N 1 1 15 3486 1 1 9 ASN ND2 N -1.725 -2.530 4.126 1.00 . A A . 9 ASN ND2 1 1 15 3487 1 1 9 ASN O O 1.967 -5.321 2.893 1.00 . A A . 9 ASN O 1 1 15 3488 1 1 9 ASN OD1 O -0.986 -4.098 5.555 1.00 . A A . 9 ASN OD1 1 1 15 3489 1 1 10 TYR C C 2.589 -7.703 0.883 1.00 . A A . 10 TYR C 1 1 15 3490 1 1 10 TYR CA C 1.488 -7.873 1.927 1.00 . A A . 10 TYR CA 1 1 15 3491 1 1 10 TYR CB C 0.748 -9.192 1.695 1.00 . A A . 10 TYR CB 1 1 15 3492 1 1 10 TYR CD1 C 1.616 -11.170 3.001 1.00 . A A . 10 TYR CD1 1 1 15 3493 1 1 10 TYR CD2 C 2.470 -10.810 0.805 1.00 . A A . 10 TYR CD2 1 1 15 3494 1 1 10 TYR CE1 C 2.418 -12.286 3.136 1.00 . A A . 10 TYR CE1 1 1 15 3495 1 1 10 TYR CE2 C 3.274 -11.926 0.931 1.00 . A A . 10 TYR CE2 1 1 15 3496 1 1 10 TYR CG C 1.628 -10.413 1.836 1.00 . A A . 10 TYR CG 1 1 15 3497 1 1 10 TYR CZ C 3.245 -12.661 2.097 1.00 . A A . 10 TYR CZ 1 1 15 3498 1 1 10 TYR H H -0.367 -6.891 1.472 1.00 . A A . 10 TYR H 1 1 15 3499 1 1 10 TYR HA H 1.943 -7.894 2.917 1.00 . A A . 10 TYR HA 1 1 15 3500 1 1 10 TYR HB3 H 0.332 -9.192 0.687 1.00 . A A . 10 TYR HB3 1 1 15 3501 1 1 10 TYR HD1 H 0.967 -10.874 3.813 1.00 . A A . 10 TYR HD1 1 1 15 3502 1 1 10 TYR HD2 H 2.491 -10.233 -0.108 1.00 . A A . 10 TYR HD2 1 1 15 3503 1 1 10 TYR HE1 H 2.396 -12.863 4.049 1.00 . A A . 10 TYR HE1 1 1 15 3504 1 1 10 TYR HE2 H 3.923 -12.220 0.118 1.00 . A A . 10 TYR HE2 1 1 15 3505 1 1 10 TYR HH H 4.399 -14.025 1.347 1.00 . A A . 10 TYR HH 1 1 15 3506 1 1 10 TYR N N 0.555 -6.754 1.887 1.00 . A A . 10 TYR N 1 1 15 3507 1 1 10 TYR O O 3.722 -8.138 1.084 1.00 . A A . 10 TYR O 1 1 15 3508 1 1 10 TYR OH O 4.047 -13.772 2.226 1.00 . A A . 10 TYR OH 1 1 15 3509 1 1 11 ALA C C 4.162 -5.706 -0.952 1.00 . A A . 11 ALA C 1 1 15 3510 1 1 11 ALA CA C 3.201 -6.835 -1.306 1.00 . A A . 11 ALA CA 1 1 15 3511 1 1 11 ALA CB C 2.470 -6.524 -2.604 1.00 . A A . 11 ALA CB 1 1 15 3512 1 1 11 ALA H H 1.286 -6.730 -0.336 1.00 . A A . 11 ALA H 1 1 15 3513 1 1 11 ALA HA H 3.771 -7.753 -1.451 1.00 . A A . 11 ALA HA 1 1 15 3514 1 1 11 ALA HB1 H 3.165 -6.607 -3.439 1.00 . A A . 11 ALA HB1 1 1 15 3515 1 1 11 ALA HB2 H 1.652 -7.230 -2.740 1.00 . A A . 11 ALA HB2 1 1 15 3516 1 1 11 ALA HB3 H 2.073 -5.510 -2.562 1.00 . A A . 11 ALA HB3 1 1 15 3517 1 1 11 ALA N N 2.243 -7.067 -0.231 1.00 . A A . 11 ALA N 1 1 15 3518 1 1 11 ALA O O 5.360 -5.789 -1.222 1.00 . A A . 11 ALA O 1 1 15 3519 1 1 12 HIS C C 4.368 -3.274 1.551 1.00 . A A . 12 HIS C 1 1 15 3520 1 1 12 HIS CA C 4.440 -3.501 0.044 1.00 . A A . 12 HIS CA 1 1 15 3521 1 1 12 HIS CB C 3.989 -2.198 -0.617 1.00 . A A . 12 HIS CB 1 1 15 3522 1 1 12 HIS CD2 C 2.202 -1.819 -2.459 1.00 . A A . 12 HIS CD2 1 1 15 3523 1 1 12 HIS CE1 C 2.960 -3.250 -3.938 1.00 . A A . 12 HIS CE1 1 1 15 3524 1 1 12 HIS CG C 3.308 -2.400 -1.935 1.00 . A A . 12 HIS CG 1 1 15 3525 1 1 12 HIS H H 2.628 -4.642 -0.150 1.00 . A A . 12 HIS H 1 1 15 3526 1 1 12 HIS HA H 5.473 -3.713 -0.230 1.00 . A A . 12 HIS HA 1 1 15 3527 1 1 12 HIS HB3 H 4.860 -1.564 -0.783 1.00 . A A . 12 HIS HB3 1 1 15 3528 1 1 12 HIS HD2 H 1.589 -1.066 -1.987 1.00 . A A . 12 HIS HD2 1 1 15 3529 1 1 12 HIS HE1 H 3.066 -3.840 -4.836 1.00 . A A . 12 HIS HE1 1 1 15 3530 1 1 12 HIS HE2 H 1.251 -2.124 -4.345 1.00 . A A . 12 HIS HE2 1 1 15 3531 1 1 12 HIS N N 3.628 -4.649 -0.346 1.00 . A A . 12 HIS N 1 1 15 3532 1 1 12 HIS ND1 N 3.758 -3.292 -2.886 1.00 . A A . 12 HIS ND1 1 1 15 3533 1 1 12 HIS NE2 N 2.008 -2.364 -3.704 1.00 . A A . 12 HIS NE2 1 1 15 3534 1 1 12 HIS O O 3.862 -2.257 2.026 1.00 . A A . 12 HIS O 1 1 15 3535 1 1 13 PRO C C 5.852 -3.105 4.309 1.00 . A A . 13 PRO C 1 1 15 3536 1 1 13 PRO CA C 4.895 -4.170 3.786 1.00 . A A . 13 PRO CA 1 1 15 3537 1 1 13 PRO CB C 5.363 -5.565 4.206 1.00 . A A . 13 PRO CB 1 1 15 3538 1 1 13 PRO CD C 5.507 -5.481 1.822 1.00 . A A . 13 PRO CD 1 1 15 3539 1 1 13 PRO CG C 6.155 -6.064 3.048 1.00 . A A . 13 PRO CG 1 1 15 3540 1 1 13 PRO HA H 3.896 -3.986 4.182 1.00 . A A . 13 PRO HA 1 1 15 3541 1 1 13 PRO HB3 H 4.499 -6.199 4.403 1.00 . A A . 13 PRO HB3 1 1 15 3542 1 1 13 PRO HD3 H 4.752 -6.162 1.429 1.00 . A A . 13 PRO HD3 1 1 15 3543 1 1 13 PRO HG3 H 6.114 -7.153 3.014 1.00 . A A . 13 PRO HG3 1 1 15 3544 1 1 13 PRO N N 4.887 -4.242 2.321 1.00 . A A . 13 PRO N 1 1 15 3545 1 1 13 PRO O O 5.594 -2.474 5.333 1.00 . A A . 13 PRO O 1 1 15 3546 1 1 14 ALA C C 7.323 -0.537 4.138 1.00 . A A . 14 ALA C 1 1 15 3547 1 1 14 ALA CA C 7.952 -1.919 3.990 1.00 . A A . 14 ALA CA 1 1 15 3548 1 1 14 ALA CB C 9.086 -1.878 2.976 1.00 . A A . 14 ALA CB 1 1 15 3549 1 1 14 ALA H H 7.114 -3.465 2.758 1.00 . A A . 14 ALA H 1 1 15 3550 1 1 14 ALA HA H 8.368 -2.221 4.951 1.00 . A A . 14 ALA HA 1 1 15 3551 1 1 14 ALA HB1 H 9.190 -0.865 2.588 1.00 . A A . 14 ALA HB1 1 1 15 3552 1 1 14 ALA HB2 H 10.015 -2.180 3.457 1.00 . A A . 14 ALA HB2 1 1 15 3553 1 1 14 ALA HB3 H 8.863 -2.560 2.155 1.00 . A A . 14 ALA HB3 1 1 15 3554 1 1 14 ALA N N 6.958 -2.909 3.598 1.00 . A A . 14 ALA N 1 1 15 3555 1 1 14 ALA O O 7.558 0.160 5.125 1.00 . A A . 14 ALA O 1 1 15 3556 1 1 15 ILE C C 4.602 1.139 2.311 1.00 . A A . 15 ILE C 1 1 15 3557 1 1 15 ILE CA C 5.860 1.150 3.172 1.00 . A A . 15 ILE CA 1 1 15 3558 1 1 15 ILE CB C 6.797 2.268 2.678 1.00 . A A . 15 ILE CB 1 1 15 3559 1 1 15 ILE CD1 C 8.336 2.920 0.759 1.00 . A A . 15 ILE CD1 1 1 15 3560 1 1 15 ILE CG1 C 7.565 1.809 1.438 1.00 . A A . 15 ILE CG1 1 1 15 3561 1 1 15 ILE CG2 C 7.759 2.679 3.783 1.00 . A A . 15 ILE CG2 1 1 15 3562 1 1 15 ILE H H 6.368 -0.774 2.359 1.00 . A A . 15 ILE H 1 1 15 3563 1 1 15 ILE HA H 5.580 1.367 4.203 1.00 . A A . 15 ILE HA 1 1 15 3564 1 1 15 ILE HB H 6.187 3.133 2.420 1.00 . A A . 15 ILE HB 1 1 15 3565 1 1 15 ILE HD11 H 8.575 3.694 1.488 1.00 . A A . 15 ILE HD11 1 1 15 3566 1 1 15 ILE HD12 H 9.258 2.519 0.338 1.00 . A A . 15 ILE HD12 1 1 15 3567 1 1 15 ILE HD13 H 7.730 3.348 -0.039 1.00 . A A . 15 ILE HD13 1 1 15 3568 1 1 15 ILE HG13 H 6.861 1.399 0.714 1.00 . A A . 15 ILE HG13 1 1 15 3569 1 1 15 ILE HG21 H 8.659 2.067 3.727 1.00 . A A . 15 ILE HG21 1 1 15 3570 1 1 15 ILE HG22 H 8.025 3.729 3.659 1.00 . A A . 15 ILE HG22 1 1 15 3571 1 1 15 ILE HG23 H 7.282 2.536 4.753 1.00 . A A . 15 ILE HG23 1 1 15 3572 1 1 15 ILE N N 6.523 -0.148 3.150 1.00 . A A . 15 ILE N 1 1 15 3573 1 1 15 ILE O O 4.639 0.747 1.143 1.00 . A A . 15 ILE O 1 1 15 3574 1 1 16 CYS C C 2.162 2.813 1.238 1.00 . A A . 16 CYS C 1 1 15 3575 1 1 16 CYS CA C 2.218 1.614 2.179 1.00 . A A . 16 CYS CA 1 1 15 3576 1 1 16 CYS CB C 1.055 1.674 3.171 1.00 . A A . 16 CYS CB 1 1 15 3577 1 1 16 CYS H H 3.524 1.883 3.863 1.00 . A A . 16 CYS H 1 1 15 3578 1 1 16 CYS HA H 2.135 0.700 1.590 1.00 . A A . 16 CYS HA 1 1 15 3579 1 1 16 CYS HB3 H 1.062 2.644 3.668 1.00 . A A . 16 CYS HB3 1 1 15 3580 1 1 16 CYS N N 3.489 1.571 2.893 1.00 . A A . 16 CYS N 1 1 15 3581 1 1 16 CYS O O 1.279 3.662 1.348 1.00 . A A . 16 CYS O 1 1 15 3582 1 1 16 CYS SG S -0.585 1.453 2.407 1.00 . A A . 16 CYS SG 1 1 15 3583 1 1 17 GLY C C 2.055 3.885 -1.677 1.00 . A A . 17 GLY C 1 1 15 3584 1 1 17 GLY CA C 3.154 3.974 -0.637 1.00 . A A . 17 GLY CA 1 1 15 3585 1 1 17 GLY H H 3.819 2.142 0.267 1.00 . A A . 17 GLY H 1 1 15 3586 1 1 17 GLY HA2 H 3.050 4.913 -0.092 1.00 . A A . 17 GLY HA2 1 1 15 3587 1 1 17 GLY HA3 H 4.119 3.966 -1.144 1.00 . A A . 17 GLY HA3 1 1 15 3588 1 1 17 GLY N N 3.113 2.876 0.311 1.00 . A A . 17 GLY N 1 1 15 3589 1 1 17 GLY O O 1.550 4.904 -2.146 1.00 . A A . 17 GLY O 1 1 15 3590 1 1 18 GLY C C -0.648 3.174 -2.662 1.00 . A A . 18 GLY C 1 1 15 3591 1 1 18 GLY CA C 0.640 2.465 -3.029 1.00 . A A . 18 GLY CA 1 1 15 3592 1 1 18 GLY H H 2.138 1.853 -1.614 1.00 . A A . 18 GLY H 1 1 15 3593 1 1 18 GLY HA2 H 0.991 2.842 -3.989 1.00 . A A . 18 GLY HA2 1 1 15 3594 1 1 18 GLY HA3 H 0.440 1.397 -3.120 1.00 . A A . 18 GLY HA3 1 1 15 3595 1 1 18 GLY N N 1.683 2.661 -2.039 1.00 . A A . 18 GLY N 1 1 15 3596 1 1 18 GLY O O -1.464 3.481 -3.531 1.00 . A A . 18 GLY O 1 1 15 3597 1 1 19 ALA C C -2.219 5.454 -1.596 1.00 . A A . 19 ALA C 1 1 15 3598 1 1 19 ALA CA C -2.030 4.114 -0.893 1.00 . A A . 19 ALA CA 1 1 15 3599 1 1 19 ALA CB C -1.957 4.311 0.614 1.00 . A A . 19 ALA CB 1 1 15 3600 1 1 19 ALA H H -0.116 3.154 -0.702 1.00 . A A . 19 ALA H 1 1 15 3601 1 1 19 ALA HA H -2.887 3.477 -1.110 1.00 . A A . 19 ALA HA 1 1 15 3602 1 1 19 ALA HB1 H -2.743 3.728 1.094 1.00 . A A . 19 ALA HB1 1 1 15 3603 1 1 19 ALA HB2 H -0.985 3.979 0.977 1.00 . A A . 19 ALA HB2 1 1 15 3604 1 1 19 ALA HB3 H -2.093 5.366 0.849 1.00 . A A . 19 ALA HB3 1 1 15 3605 1 1 19 ALA N N -0.831 3.435 -1.372 1.00 . A A . 19 ALA N 1 1 15 3606 1 1 19 ALA O O -3.347 5.880 -1.845 1.00 . A A . 19 ALA O 1 1 15 3607 1 1 20 ALA C C -1.943 7.318 -3.887 1.00 . A A . 20 ALA C 1 1 15 3608 1 1 20 ALA CA C -1.155 7.406 -2.585 1.00 . A A . 20 ALA CA 1 1 15 3609 1 1 20 ALA CB C 0.256 7.910 -2.853 1.00 . A A . 20 ALA CB 1 1 15 3610 1 1 20 ALA H H -0.205 5.706 -1.675 1.00 . A A . 20 ALA H 1 1 15 3611 1 1 20 ALA HA H -1.647 8.116 -1.920 1.00 . A A . 20 ALA HA 1 1 15 3612 1 1 20 ALA HB1 H 0.974 7.264 -2.348 1.00 . A A . 20 ALA HB1 1 1 15 3613 1 1 20 ALA HB2 H 0.449 7.897 -3.926 1.00 . A A . 20 ALA HB2 1 1 15 3614 1 1 20 ALA HB3 H 0.354 8.928 -2.478 1.00 . A A . 20 ALA HB3 1 1 15 3615 1 1 20 ALA N N -1.110 6.114 -1.911 1.00 . A A . 20 ALA N 1 1 15 3616 1 1 20 ALA O O -2.627 8.264 -4.274 1.00 . A A . 20 ALA O 1 1 15 3617 1 1 21 GLY C C -4.052 5.855 -5.613 1.00 . A A . 21 GLY C 1 1 15 3618 1 1 21 GLY CA C -2.554 5.985 -5.810 1.00 . A A . 21 GLY CA 1 1 15 3619 1 1 21 GLY H H -1.262 5.425 -4.186 1.00 . A A . 21 GLY H 1 1 15 3620 1 1 21 GLY HA2 H -2.355 6.836 -6.461 1.00 . A A . 21 GLY HA2 1 1 15 3621 1 1 21 GLY HA3 H -2.183 5.080 -6.291 1.00 . A A . 21 GLY HA3 1 1 15 3622 1 1 21 GLY N N -1.845 6.175 -4.558 1.00 . A A . 21 GLY N 1 1 15 3623 1 1 21 GLY O O -4.829 6.594 -6.216 1.00 . A A . 21 GLY O 1 1 15 3624 1 1 22 GLY C C -6.161 3.327 -3.951 1.00 . A A . 22 GLY C 1 1 15 3625 1 1 22 GLY CA C -5.870 4.705 -4.511 1.00 . A A . 22 GLY CA 1 1 15 3626 1 1 22 GLY H H -3.764 4.330 -4.298 1.00 . A A . 22 GLY H 1 1 15 3627 1 1 22 GLY HA2 H -6.212 5.454 -3.798 1.00 . A A . 22 GLY HA2 1 1 15 3628 1 1 22 GLY HA3 H -6.419 4.827 -5.446 1.00 . A A . 22 GLY HA3 1 1 15 3629 1 1 22 GLY N N -4.457 4.912 -4.769 1.00 . A A . 22 GLY N 1 1 15 3630 1 1 22 GLY O O -6.601 2.434 -4.676 1.00 . A A . 22 GLY O 1 1 16 3631 1 1 1 GLY C C -5.879 0.831 -1.717 1.00 . A A . 1 GLY C 1 1 16 3632 1 1 1 GLY CA C -6.728 2.052 -2.007 1.00 . A A . 1 GLY CA 1 1 16 3633 1 1 1 GLY H1 H -5.789 2.535 -3.660 1.00 . A A . 1 GLY H1 1 1 16 3634 1 1 1 GLY HA2 H -7.014 2.516 -1.062 1.00 . A A . 1 GLY HA2 1 1 16 3635 1 1 1 GLY HA3 H -7.630 1.738 -2.533 1.00 . A A . 1 GLY HA3 1 1 16 3636 1 1 1 GLY N N -6.031 3.034 -2.817 1.00 . A A . 1 GLY N 1 1 16 3637 1 1 1 GLY O O -6.403 -0.265 -1.514 1.00 . A A . 1 GLY O 1 1 16 3638 1 1 2 CYS C C -3.662 -0.465 0.041 1.00 . A A . 2 CYS C 1 1 16 3639 1 1 2 CYS CA C -3.640 -0.078 -1.435 1.00 . A A . 2 CYS CA 1 1 16 3640 1 1 2 CYS CB C -2.219 0.314 -1.848 1.00 . A A . 2 CYS CB 1 1 16 3641 1 1 2 CYS H H -4.192 1.950 -1.874 1.00 . A A . 2 CYS H 1 1 16 3642 1 1 2 CYS HA H -3.958 -0.936 -2.026 1.00 . A A . 2 CYS HA 1 1 16 3643 1 1 2 CYS HB3 H -1.508 -0.156 -1.169 1.00 . A A . 2 CYS HB3 1 1 16 3644 1 1 2 CYS N N -4.564 1.017 -1.699 1.00 . A A . 2 CYS N 1 1 16 3645 1 1 2 CYS O O -3.669 -1.648 0.385 1.00 . A A . 2 CYS O 1 1 16 3646 1 1 2 CYS SG S -1.776 -0.183 -3.544 1.00 . A A . 2 CYS SG 1 1 16 3647 1 1 3 CYS C C -4.929 -0.499 2.752 1.00 . A A . 3 CYS C 1 1 16 3648 1 1 3 CYS CA C -3.696 0.307 2.350 1.00 . A A . 3 CYS CA 1 1 16 3649 1 1 3 CYS CB C -3.677 1.638 3.103 1.00 . A A . 3 CYS CB 1 1 16 3650 1 1 3 CYS H H -3.668 1.498 0.563 1.00 . A A . 3 CYS H 1 1 16 3651 1 1 3 CYS HA H -2.804 -0.263 2.611 1.00 . A A . 3 CYS HA 1 1 16 3652 1 1 3 CYS HB3 H -4.216 1.522 4.044 1.00 . A A . 3 CYS HB3 1 1 16 3653 1 1 3 CYS N N -3.675 0.540 0.911 1.00 . A A . 3 CYS N 1 1 16 3654 1 1 3 CYS O O -4.881 -1.302 3.684 1.00 . A A . 3 CYS O 1 1 16 3655 1 1 3 CYS SG S -2.004 2.248 3.492 1.00 . A A . 3 CYS SG 1 1 16 3656 1 1 4 SER C C -7.195 -2.437 1.870 1.00 . A A . 4 SER C 1 1 16 3657 1 1 4 SER CA C -7.276 -0.983 2.325 1.00 . A A . 4 SER CA 1 1 16 3658 1 1 4 SER CB C -8.449 -0.285 1.634 1.00 . A A . 4 SER CB 1 1 16 3659 1 1 4 SER H H -6.003 0.398 1.279 1.00 . A A . 4 SER H 1 1 16 3660 1 1 4 SER HA H -7.434 -0.961 3.403 1.00 . A A . 4 SER HA 1 1 16 3661 1 1 4 SER HB3 H -8.188 -0.083 0.595 1.00 . A A . 4 SER HB3 1 1 16 3662 1 1 4 SER HG H -10.348 -0.624 1.216 1.00 . A A . 4 SER HG 1 1 16 3663 1 1 4 SER N N -6.030 -0.280 2.040 1.00 . A A . 4 SER N 1 1 16 3664 1 1 4 SER O O -7.771 -3.327 2.496 1.00 . A A . 4 SER O 1 1 16 3665 1 1 4 SER OG O -9.612 -1.094 1.662 1.00 . A A . 4 SER OG 1 1 16 3666 1 1 5 ASP C C -5.117 -4.714 0.863 1.00 . A A . 5 ASP C 1 1 16 3667 1 1 5 ASP CA C -6.319 -4.015 0.236 1.00 . A A . 5 ASP CA 1 1 16 3668 1 1 5 ASP CB C -6.159 -3.962 -1.283 1.00 . A A . 5 ASP CB 1 1 16 3669 1 1 5 ASP CG C -6.712 -5.196 -1.967 1.00 . A A . 5 ASP CG 1 1 16 3670 1 1 5 ASP H H -6.024 -1.887 0.303 1.00 . A A . 5 ASP H 1 1 16 3671 1 1 5 ASP HA H -7.218 -4.580 0.479 1.00 . A A . 5 ASP HA 1 1 16 3672 1 1 5 ASP HB3 H -5.100 -3.876 -1.528 1.00 . A A . 5 ASP HB3 1 1 16 3673 1 1 5 ASP N N -6.477 -2.669 0.776 1.00 . A A . 5 ASP N 1 1 16 3674 1 1 5 ASP O O -4.056 -4.120 1.062 1.00 . A A . 5 ASP O 1 1 16 3675 1 1 5 ASP OD1 O -5.906 -6.018 -2.452 1.00 . A A . 5 ASP OD1 1 1 16 3676 1 1 5 ASP OD2 O -7.951 -5.341 -2.017 1.00 . A A . 5 ASP OD2 1 1 16 3677 1 1 6 PRO C C -3.081 -7.100 0.823 1.00 . A A . 6 PRO C 1 1 16 3678 1 1 6 PRO CA C -4.223 -6.813 1.793 1.00 . A A . 6 PRO CA 1 1 16 3679 1 1 6 PRO CB C -4.940 -8.110 2.174 1.00 . A A . 6 PRO CB 1 1 16 3680 1 1 6 PRO CD C -6.519 -6.777 0.975 1.00 . A A . 6 PRO CD 1 1 16 3681 1 1 6 PRO CG C -6.094 -8.195 1.236 1.00 . A A . 6 PRO CG 1 1 16 3682 1 1 6 PRO HA H -3.824 -6.339 2.690 1.00 . A A . 6 PRO HA 1 1 16 3683 1 1 6 PRO HB3 H -5.272 -8.056 3.211 1.00 . A A . 6 PRO HB3 1 1 16 3684 1 1 6 PRO HD3 H -7.290 -6.475 1.684 1.00 . A A . 6 PRO HD3 1 1 16 3685 1 1 6 PRO HG3 H -6.907 -8.755 1.699 1.00 . A A . 6 PRO HG3 1 1 16 3686 1 1 6 PRO N N -5.283 -6.005 1.183 1.00 . A A . 6 PRO N 1 1 16 3687 1 1 6 PRO O O -1.939 -7.295 1.234 1.00 . A A . 6 PRO O 1 1 16 3688 1 1 7 ARG C C -1.255 -6.383 -1.410 1.00 . A A . 7 ARG C 1 1 16 3689 1 1 7 ARG CA C -2.402 -7.387 -1.496 1.00 . A A . 7 ARG CA 1 1 16 3690 1 1 7 ARG CB C -3.041 -7.328 -2.884 1.00 . A A . 7 ARG CB 1 1 16 3691 1 1 7 ARG CD C -3.569 -9.785 -2.879 1.00 . A A . 7 ARG CD 1 1 16 3692 1 1 7 ARG CG C -4.113 -8.383 -3.106 1.00 . A A . 7 ARG CG 1 1 16 3693 1 1 7 ARG CZ C -2.217 -10.213 -4.887 1.00 . A A . 7 ARG CZ 1 1 16 3694 1 1 7 ARG H H -4.367 -6.952 -0.745 1.00 . A A . 7 ARG H 1 1 16 3695 1 1 7 ARG HA H -2.005 -8.388 -1.330 1.00 . A A . 7 ARG HA 1 1 16 3696 1 1 7 ARG HB3 H -2.264 -7.467 -3.635 1.00 . A A . 7 ARG HB3 1 1 16 3697 1 1 7 ARG HD3 H -4.302 -10.507 -3.238 1.00 . A A . 7 ARG HD3 1 1 16 3698 1 1 7 ARG HE H -1.450 -9.991 -3.023 1.00 . A A . 7 ARG HE 1 1 16 3699 1 1 7 ARG HG3 H -4.478 -8.307 -4.130 1.00 . A A . 7 ARG HG3 1 1 16 3700 1 1 7 ARG HH11 H -4.225 -10.087 -5.204 1.00 . A A . 7 ARG HH11 1 1 16 3701 1 1 7 ARG HH12 H -3.240 -10.395 -6.639 1.00 . A A . 7 ARG HH12 1 1 16 3702 1 1 7 ARG HH21 H -0.186 -10.388 -4.879 1.00 . A A . 7 ARG HH21 1 1 16 3703 1 1 7 ARG HH22 H -0.963 -10.565 -6.456 1.00 . A A . 7 ARG HH22 1 1 16 3704 1 1 7 ARG N N -3.400 -7.122 -0.467 1.00 . A A . 7 ARG N 1 1 16 3705 1 1 7 ARG NE N -2.306 -10.002 -3.579 1.00 . A A . 7 ARG NE 1 1 16 3706 1 1 7 ARG NH1 N -3.312 -10.234 -5.634 1.00 . A A . 7 ARG NH1 1 1 16 3707 1 1 7 ARG NH2 N -1.031 -10.404 -5.451 1.00 . A A . 7 ARG NH2 1 1 16 3708 1 1 7 ARG O O -0.088 -6.765 -1.312 1.00 . A A . 7 ARG O 1 1 16 3709 1 1 8 CYS C C 0.086 -4.027 -0.010 1.00 . A A . 8 CYS C 1 1 16 3710 1 1 8 CYS CA C -0.595 -4.041 -1.377 1.00 . A A . 8 CYS CA 1 1 16 3711 1 1 8 CYS CB C -1.240 -2.681 -1.651 1.00 . A A . 8 CYS CB 1 1 16 3712 1 1 8 CYS H H -2.580 -4.848 -1.531 1.00 . A A . 8 CYS H 1 1 16 3713 1 1 8 CYS HA H 0.158 -4.237 -2.141 1.00 . A A . 8 CYS HA 1 1 16 3714 1 1 8 CYS HB3 H -0.648 -1.902 -1.169 1.00 . A A . 8 CYS HB3 1 1 16 3715 1 1 8 CYS N N -1.594 -5.099 -1.449 1.00 . A A . 8 CYS N 1 1 16 3716 1 1 8 CYS O O 1.251 -3.653 0.111 1.00 . A A . 8 CYS O 1 1 16 3717 1 1 8 CYS SG S -1.375 -2.265 -3.419 1.00 . A A . 8 CYS SG 1 1 16 3718 1 1 9 ASN C C 0.951 -5.549 2.511 1.00 . A A . 9 ASN C 1 1 16 3719 1 1 9 ASN CA C -0.122 -4.474 2.374 1.00 . A A . 9 ASN CA 1 1 16 3720 1 1 9 ASN CB C -1.248 -4.730 3.377 1.00 . A A . 9 ASN CB 1 1 16 3721 1 1 9 ASN CG C -1.665 -3.471 4.114 1.00 . A A . 9 ASN CG 1 1 16 3722 1 1 9 ASN H H -1.614 -4.737 0.850 1.00 . A A . 9 ASN H 1 1 16 3723 1 1 9 ASN HA H 0.325 -3.502 2.583 1.00 . A A . 9 ASN HA 1 1 16 3724 1 1 9 ASN HB3 H -0.913 -5.464 4.111 1.00 . A A . 9 ASN HB3 1 1 16 3725 1 1 9 ASN HD21 H 0.156 -3.375 4.985 1.00 . A A . 9 ASN HD21 1 1 16 3726 1 1 9 ASN HD22 H -1.009 -2.077 5.421 1.00 . A A . 9 ASN HD22 1 1 16 3727 1 1 9 ASN N N -0.653 -4.438 1.016 1.00 . A A . 9 ASN N 1 1 16 3728 1 1 9 ASN ND2 N -0.756 -2.924 4.913 1.00 . A A . 9 ASN ND2 1 1 16 3729 1 1 9 ASN O O 2.041 -5.293 3.024 1.00 . A A . 9 ASN O 1 1 16 3730 1 1 9 ASN OD1 O -2.790 -2.996 3.964 1.00 . A A . 9 ASN OD1 1 1 16 3731 1 1 10 TYR C C 2.676 -7.723 1.076 1.00 . A A . 10 TYR C 1 1 16 3732 1 1 10 TYR CA C 1.573 -7.869 2.119 1.00 . A A . 10 TYR CA 1 1 16 3733 1 1 10 TYR CB C 0.836 -9.194 1.917 1.00 . A A . 10 TYR CB 1 1 16 3734 1 1 10 TYR CD1 C 2.149 -10.831 3.321 1.00 . A A . 10 TYR CD1 1 1 16 3735 1 1 10 TYR CD2 C 2.137 -11.134 0.956 1.00 . A A . 10 TYR CD2 1 1 16 3736 1 1 10 TYR CE1 C 2.961 -11.940 3.464 1.00 . A A . 10 TYR CE1 1 1 16 3737 1 1 10 TYR CE2 C 2.947 -12.245 1.090 1.00 . A A . 10 TYR CE2 1 1 16 3738 1 1 10 TYR CG C 1.723 -10.409 2.068 1.00 . A A . 10 TYR CG 1 1 16 3739 1 1 10 TYR CZ C 3.356 -12.644 2.345 1.00 . A A . 10 TYR CZ 1 1 16 3740 1 1 10 TYR H H -0.283 -6.902 1.633 1.00 . A A . 10 TYR H 1 1 16 3741 1 1 10 TYR HA H 2.024 -7.865 3.112 1.00 . A A . 10 TYR HA 1 1 16 3742 1 1 10 TYR HB3 H 0.408 -9.214 0.914 1.00 . A A . 10 TYR HB3 1 1 16 3743 1 1 10 TYR HD1 H 1.839 -10.277 4.195 1.00 . A A . 10 TYR HD1 1 1 16 3744 1 1 10 TYR HD2 H 1.814 -10.819 -0.026 1.00 . A A . 10 TYR HD2 1 1 16 3745 1 1 10 TYR HE1 H 3.282 -12.253 4.446 1.00 . A A . 10 TYR HE1 1 1 16 3746 1 1 10 TYR HE2 H 3.256 -12.797 0.215 1.00 . A A . 10 TYR HE2 1 1 16 3747 1 1 10 TYR HH H 4.263 -14.191 1.613 1.00 . A A . 10 TYR HH 1 1 16 3748 1 1 10 TYR N N 0.637 -6.754 2.048 1.00 . A A . 10 TYR N 1 1 16 3749 1 1 10 TYR O O 3.810 -8.149 1.291 1.00 . A A . 10 TYR O 1 1 16 3750 1 1 10 TYR OH O 4.164 -13.750 2.482 1.00 . A A . 10 TYR OH 1 1 16 3751 1 1 11 ALA C C 4.250 -5.765 -0.805 1.00 . A A . 11 ALA C 1 1 16 3752 1 1 11 ALA CA C 3.295 -6.909 -1.133 1.00 . A A . 11 ALA CA 1 1 16 3753 1 1 11 ALA CB C 2.570 -6.635 -2.441 1.00 . A A . 11 ALA CB 1 1 16 3754 1 1 11 ALA H H 1.377 -6.784 -0.173 1.00 . A A . 11 ALA H 1 1 16 3755 1 1 11 ALA HA H 3.872 -7.827 -1.250 1.00 . A A . 11 ALA HA 1 1 16 3756 1 1 11 ALA HB1 H 1.750 -7.343 -2.555 1.00 . A A . 11 ALA HB1 1 1 16 3757 1 1 11 ALA HB2 H 2.175 -5.618 -2.431 1.00 . A A . 11 ALA HB2 1 1 16 3758 1 1 11 ALA HB3 H 3.266 -6.747 -3.272 1.00 . A A . 11 ALA HB3 1 1 16 3759 1 1 11 ALA N N 2.335 -7.115 -0.055 1.00 . A A . 11 ALA N 1 1 16 3760 1 1 11 ALA O O 5.450 -5.853 -1.063 1.00 . A A . 11 ALA O 1 1 16 3761 1 1 12 HIS C C 4.427 -3.259 1.627 1.00 . A A . 12 HIS C 1 1 16 3762 1 1 12 HIS CA C 4.513 -3.532 0.129 1.00 . A A . 12 HIS CA 1 1 16 3763 1 1 12 HIS CB C 4.066 -2.251 -0.577 1.00 . A A . 12 HIS CB 1 1 16 3764 1 1 12 HIS CD2 C 2.294 -1.932 -2.444 1.00 . A A . 12 HIS CD2 1 1 16 3765 1 1 12 HIS CE1 C 3.065 -3.408 -3.871 1.00 . A A . 12 HIS CE1 1 1 16 3766 1 1 12 HIS CG C 3.395 -2.495 -1.893 1.00 . A A . 12 HIS CG 1 1 16 3767 1 1 12 HIS H H 2.706 -4.684 -0.045 1.00 . A A . 12 HIS H 1 1 16 3768 1 1 12 HIS HA H 5.549 -3.748 -0.131 1.00 . A A . 12 HIS HA 1 1 16 3769 1 1 12 HIS HB3 H 4.936 -1.620 -0.756 1.00 . A A . 12 HIS HB3 1 1 16 3770 1 1 12 HIS HD2 H 1.675 -1.166 -2.000 1.00 . A A . 12 HIS HD2 1 1 16 3771 1 1 12 HIS HE1 H 3.179 -4.026 -4.750 1.00 . A A . 12 HIS HE1 1 1 16 3772 1 1 12 HIS HE2 H 1.356 -2.299 -4.326 1.00 . A A . 12 HIS HE2 1 1 16 3773 1 1 12 HIS N N 3.708 -4.694 -0.234 1.00 . A A . 12 HIS N 1 1 16 3774 1 1 12 HIS ND1 N 3.854 -3.416 -2.812 1.00 . A A . 12 HIS ND1 1 1 16 3775 1 1 12 HIS NE2 N 2.109 -2.517 -3.673 1.00 . A A . 12 HIS NE2 1 1 16 3776 1 1 12 HIS O O 3.918 -2.227 2.067 1.00 . A A . 12 HIS O 1 1 16 3777 1 1 13 PRO C C 5.883 -3.009 4.394 1.00 . A A . 13 PRO C 1 1 16 3778 1 1 13 PRO CA C 4.928 -4.087 3.893 1.00 . A A . 13 PRO CA 1 1 16 3779 1 1 13 PRO CB C 5.390 -5.469 4.362 1.00 . A A . 13 PRO CB 1 1 16 3780 1 1 13 PRO CD C 5.557 -5.458 1.977 1.00 . A A . 13 PRO CD 1 1 16 3781 1 1 13 PRO CG C 6.190 -6.006 3.226 1.00 . A A . 13 PRO CG 1 1 16 3782 1 1 13 PRO HA H 3.925 -3.889 4.274 1.00 . A A . 13 PRO HA 1 1 16 3783 1 1 13 PRO HB3 H 4.522 -6.096 4.568 1.00 . A A . 13 PRO HB3 1 1 16 3784 1 1 13 PRO HD3 H 4.805 -6.150 1.597 1.00 . A A . 13 PRO HD3 1 1 16 3785 1 1 13 PRO HG3 H 6.148 -7.095 3.226 1.00 . A A . 13 PRO HG3 1 1 16 3786 1 1 13 PRO N N 4.935 -4.204 2.432 1.00 . A A . 13 PRO N 1 1 16 3787 1 1 13 PRO O O 5.624 -2.358 5.406 1.00 . A A . 13 PRO O 1 1 16 3788 1 1 14 ALA C C 7.346 -0.440 4.169 1.00 . A A . 14 ALA C 1 1 16 3789 1 1 14 ALA CA C 7.979 -1.822 4.047 1.00 . A A . 14 ALA CA 1 1 16 3790 1 1 14 ALA CB C 9.110 -1.799 3.030 1.00 . A A . 14 ALA CB 1 1 16 3791 1 1 14 ALA H H 7.143 -3.396 2.846 1.00 . A A . 14 ALA H 1 1 16 3792 1 1 14 ALA HA H 8.398 -2.105 5.013 1.00 . A A . 14 ALA HA 1 1 16 3793 1 1 14 ALA HB1 H 9.520 -2.803 2.921 1.00 . A A . 14 ALA HB1 1 1 16 3794 1 1 14 ALA HB2 H 8.727 -1.455 2.069 1.00 . A A . 14 ALA HB2 1 1 16 3795 1 1 14 ALA HB3 H 9.892 -1.122 3.373 1.00 . A A . 14 ALA HB3 1 1 16 3796 1 1 14 ALA N N 6.987 -2.824 3.677 1.00 . A A . 14 ALA N 1 1 16 3797 1 1 14 ALA O O 7.577 0.275 5.144 1.00 . A A . 14 ALA O 1 1 16 3798 1 1 15 ILE C C 4.623 1.195 2.305 1.00 . A A . 15 ILE C 1 1 16 3799 1 1 15 ILE CA C 5.879 1.224 3.171 1.00 . A A . 15 ILE CA 1 1 16 3800 1 1 15 ILE CB C 6.814 2.337 2.661 1.00 . A A . 15 ILE CB 1 1 16 3801 1 1 15 ILE CD1 C 8.407 2.946 0.774 1.00 . A A . 15 ILE CD1 1 1 16 3802 1 1 15 ILE CG1 C 7.593 1.857 1.435 1.00 . A A . 15 ILE CG1 1 1 16 3803 1 1 15 ILE CG2 C 7.767 2.774 3.765 1.00 . A A . 15 ILE CG2 1 1 16 3804 1 1 15 ILE H H 6.394 -0.712 2.395 1.00 . A A . 15 ILE H 1 1 16 3805 1 1 15 ILE HA H 5.594 1.458 4.196 1.00 . A A . 15 ILE HA 1 1 16 3806 1 1 15 ILE HB H 6.202 3.195 2.383 1.00 . A A . 15 ILE HB 1 1 16 3807 1 1 15 ILE HD11 H 7.953 3.916 0.977 1.00 . A A . 15 ILE HD11 1 1 16 3808 1 1 15 ILE HD12 H 9.424 2.932 1.166 1.00 . A A . 15 ILE HD12 1 1 16 3809 1 1 15 ILE HD13 H 8.432 2.778 -0.303 1.00 . A A . 15 ILE HD13 1 1 16 3810 1 1 15 ILE HG13 H 6.890 1.468 0.698 1.00 . A A . 15 ILE HG13 1 1 16 3811 1 1 15 ILE HG21 H 8.603 2.077 3.819 1.00 . A A . 15 ILE HG21 1 1 16 3812 1 1 15 ILE HG22 H 8.142 3.774 3.545 1.00 . A A . 15 ILE HG22 1 1 16 3813 1 1 15 ILE HG23 H 7.239 2.784 4.719 1.00 . A A . 15 ILE HG23 1 1 16 3814 1 1 15 ILE N N 6.546 -0.072 3.174 1.00 . A A . 15 ILE N 1 1 16 3815 1 1 15 ILE O O 4.667 0.786 1.144 1.00 . A A . 15 ILE O 1 1 16 3816 1 1 16 CYS C C 2.176 2.851 1.208 1.00 . A A . 16 CYS C 1 1 16 3817 1 1 16 CYS CA C 2.238 1.658 2.158 1.00 . A A . 16 CYS CA 1 1 16 3818 1 1 16 CYS CB C 1.071 1.716 3.144 1.00 . A A . 16 CYS CB 1 1 16 3819 1 1 16 CYS H H 3.537 1.959 3.843 1.00 . A A . 16 CYS H 1 1 16 3820 1 1 16 CYS HA H 2.165 0.740 1.575 1.00 . A A . 16 CYS HA 1 1 16 3821 1 1 16 CYS HB3 H 1.066 2.690 3.635 1.00 . A A . 16 CYS HB3 1 1 16 3822 1 1 16 CYS N N 3.507 1.632 2.877 1.00 . A A . 16 CYS N 1 1 16 3823 1 1 16 CYS O O 1.284 3.692 1.309 1.00 . A A . 16 CYS O 1 1 16 3824 1 1 16 CYS SG S -0.563 1.474 2.377 1.00 . A A . 16 CYS SG 1 1 16 3825 1 1 17 GLY C C 2.069 3.902 -1.712 1.00 . A A . 17 GLY C 1 1 16 3826 1 1 17 GLY CA C 3.165 4.008 -0.670 1.00 . A A . 17 GLY CA 1 1 16 3827 1 1 17 GLY H H 3.844 2.188 0.250 1.00 . A A . 17 GLY H 1 1 16 3828 1 1 17 GLY HA2 H 3.052 4.950 -0.133 1.00 . A A . 17 GLY HA2 1 1 16 3829 1 1 17 GLY HA3 H 4.131 4.003 -1.175 1.00 . A A . 17 GLY HA3 1 1 16 3830 1 1 17 GLY N N 3.130 2.916 0.284 1.00 . A A . 17 GLY N 1 1 16 3831 1 1 17 GLY O O 1.552 4.914 -2.183 1.00 . A A . 17 GLY O 1 1 16 3832 1 1 18 GLY C C -0.622 3.154 -2.702 1.00 . A A . 18 GLY C 1 1 16 3833 1 1 18 GLY CA C 0.676 2.462 -3.066 1.00 . A A . 18 GLY CA 1 1 16 3834 1 1 18 GLY H H 2.180 1.872 -1.648 1.00 . A A . 18 GLY H 1 1 16 3835 1 1 18 GLY HA2 H 1.023 2.846 -4.026 1.00 . A A . 18 GLY HA2 1 1 16 3836 1 1 18 GLY HA3 H 0.490 1.392 -3.159 1.00 . A A . 18 GLY HA3 1 1 16 3837 1 1 18 GLY N N 1.714 2.674 -2.074 1.00 . A A . 18 GLY N 1 1 16 3838 1 1 18 GLY O O -1.441 3.450 -3.571 1.00 . A A . 18 GLY O 1 1 16 3839 1 1 19 ALA C C -2.228 5.409 -1.633 1.00 . A A . 19 ALA C 1 1 16 3840 1 1 19 ALA CA C -2.022 4.070 -0.934 1.00 . A A . 19 ALA CA 1 1 16 3841 1 1 19 ALA CB C -1.957 4.264 0.573 1.00 . A A . 19 ALA CB 1 1 16 3842 1 1 19 ALA H H -0.096 3.138 -0.739 1.00 . A A . 19 ALA H 1 1 16 3843 1 1 19 ALA HA H -2.870 3.422 -1.155 1.00 . A A . 19 ALA HA 1 1 16 3844 1 1 19 ALA HB1 H -2.073 5.322 0.808 1.00 . A A . 19 ALA HB1 1 1 16 3845 1 1 19 ALA HB2 H -2.757 3.697 1.048 1.00 . A A . 19 ALA HB2 1 1 16 3846 1 1 19 ALA HB3 H -0.994 3.914 0.943 1.00 . A A . 19 ALA HB3 1 1 16 3847 1 1 19 ALA N N -0.813 3.410 -1.411 1.00 . A A . 19 ALA N 1 1 16 3848 1 1 19 ALA O O -3.361 5.829 -1.871 1.00 . A A . 19 ALA O 1 1 16 3849 1 1 20 ALA C C -1.998 7.277 -3.924 1.00 . A A . 20 ALA C 1 1 16 3850 1 1 20 ALA CA C -1.187 7.368 -2.635 1.00 . A A . 20 ALA CA 1 1 16 3851 1 1 20 ALA CB C 0.217 7.876 -2.929 1.00 . A A . 20 ALA CB 1 1 16 3852 1 1 20 ALA H H -0.215 5.674 -1.737 1.00 . A A . 20 ALA H 1 1 16 3853 1 1 20 ALA HA H -1.669 8.076 -1.963 1.00 . A A . 20 ALA HA 1 1 16 3854 1 1 20 ALA HB1 H 0.858 7.688 -2.067 1.00 . A A . 20 ALA HB1 1 1 16 3855 1 1 20 ALA HB2 H 0.617 7.358 -3.801 1.00 . A A . 20 ALA HB2 1 1 16 3856 1 1 20 ALA HB3 H 0.180 8.947 -3.127 1.00 . A A . 20 ALA HB3 1 1 16 3857 1 1 20 ALA N N -1.126 6.076 -1.962 1.00 . A A . 20 ALA N 1 1 16 3858 1 1 20 ALA O O -2.679 8.227 -4.308 1.00 . A A . 20 ALA O 1 1 16 3859 1 1 21 GLY C C -4.153 5.891 -5.611 1.00 . A A . 21 GLY C 1 1 16 3860 1 1 21 GLY CA C -2.653 5.935 -5.826 1.00 . A A . 21 GLY CA 1 1 16 3861 1 1 21 GLY H H -1.340 5.376 -4.218 1.00 . A A . 21 GLY H 1 1 16 3862 1 1 21 GLY HA2 H -2.417 6.755 -6.505 1.00 . A A . 21 GLY HA2 1 1 16 3863 1 1 21 GLY HA3 H -2.335 4.997 -6.280 1.00 . A A . 21 GLY HA3 1 1 16 3864 1 1 21 GLY N N -1.921 6.128 -4.587 1.00 . A A . 21 GLY N 1 1 16 3865 1 1 21 GLY O O -4.899 6.648 -6.231 1.00 . A A . 21 GLY O 1 1 16 3866 1 1 22 GLY C C -6.402 3.472 -4.025 1.00 . A A . 22 GLY C 1 1 16 3867 1 1 22 GLY CA C -6.017 4.874 -4.454 1.00 . A A . 22 GLY CA 1 1 16 3868 1 1 22 GLY H H -3.931 4.397 -4.248 1.00 . A A . 22 GLY H 1 1 16 3869 1 1 22 GLY HA2 H -6.284 5.573 -3.661 1.00 . A A . 22 GLY HA2 1 1 16 3870 1 1 22 GLY HA3 H -6.575 5.131 -5.355 1.00 . A A . 22 GLY HA3 1 1 16 3871 1 1 22 GLY N N -4.598 4.998 -4.732 1.00 . A A . 22 GLY N 1 1 16 3872 1 1 22 GLY O O -7.181 2.801 -4.702 1.00 . A A . 22 GLY O 1 1 17 3873 1 1 1 GLY C C -5.979 0.729 -1.677 1.00 . A A . 1 GLY C 1 1 17 3874 1 1 1 GLY CA C -6.903 1.905 -1.922 1.00 . A A . 1 GLY CA 1 1 17 3875 1 1 1 GLY H1 H -6.531 2.025 -3.845 1.00 . A A . 1 GLY H1 1 1 17 3876 1 1 1 GLY HA2 H -6.895 2.550 -1.044 1.00 . A A . 1 GLY HA2 1 1 17 3877 1 1 1 GLY HA3 H -7.916 1.530 -2.075 1.00 . A A . 1 GLY HA3 1 1 17 3878 1 1 1 GLY N N -6.513 2.686 -3.081 1.00 . A A . 1 GLY N 1 1 17 3879 1 1 1 GLY O O -6.435 -0.394 -1.461 1.00 . A A . 1 GLY O 1 1 17 3880 1 1 2 CYS C C -3.636 -0.467 -0.023 1.00 . A A . 2 CYS C 1 1 17 3881 1 1 2 CYS CA C -3.684 -0.060 -1.493 1.00 . A A . 2 CYS CA 1 1 17 3882 1 1 2 CYS CB C -2.303 0.415 -1.948 1.00 . A A . 2 CYS CB 1 1 17 3883 1 1 2 CYS H H -4.361 1.939 -1.894 1.00 . A A . 2 CYS H 1 1 17 3884 1 1 2 CYS HA H -3.974 -0.927 -2.088 1.00 . A A . 2 CYS HA 1 1 17 3885 1 1 2 CYS HB3 H -1.544 -0.025 -1.301 1.00 . A A . 2 CYS HB3 1 1 17 3886 1 1 2 CYS N N -4.676 0.985 -1.711 1.00 . A A . 2 CYS N 1 1 17 3887 1 1 2 CYS O O -3.595 -1.653 0.305 1.00 . A A . 2 CYS O 1 1 17 3888 1 1 2 CYS SG S -1.892 -0.028 -3.667 1.00 . A A . 2 CYS SG 1 1 17 3889 1 1 3 CYS C C -4.795 -0.563 2.737 1.00 . A A . 3 CYS C 1 1 17 3890 1 1 3 CYS CA C -3.598 0.276 2.295 1.00 . A A . 3 CYS CA 1 1 17 3891 1 1 3 CYS CB C -3.575 1.597 3.066 1.00 . A A . 3 CYS CB 1 1 17 3892 1 1 3 CYS H H -3.676 1.490 0.525 1.00 . A A . 3 CYS H 1 1 17 3893 1 1 3 CYS HA H -2.684 -0.277 2.511 1.00 . A A . 3 CYS HA 1 1 17 3894 1 1 3 CYS HB3 H -4.075 1.458 4.024 1.00 . A A . 3 CYS HB3 1 1 17 3895 1 1 3 CYS N N -3.641 0.527 0.860 1.00 . A A . 3 CYS N 1 1 17 3896 1 1 3 CYS O O -4.687 -1.385 3.646 1.00 . A A . 3 CYS O 1 1 17 3897 1 1 3 CYS SG S -1.901 2.235 3.398 1.00 . A A . 3 CYS SG 1 1 17 3898 1 1 4 SER C C -7.085 -2.508 1.883 1.00 . A A . 4 SER C 1 1 17 3899 1 1 4 SER CA C -7.152 -1.079 2.414 1.00 . A A . 4 SER CA 1 1 17 3900 1 1 4 SER CB C -8.373 -0.364 1.833 1.00 . A A . 4 SER CB 1 1 17 3901 1 1 4 SER H H -5.956 0.349 1.341 1.00 . A A . 4 SER H 1 1 17 3902 1 1 4 SER HA H -7.241 -1.110 3.499 1.00 . A A . 4 SER HA 1 1 17 3903 1 1 4 SER HB3 H -8.797 -0.967 1.031 1.00 . A A . 4 SER HB3 1 1 17 3904 1 1 4 SER HG H -10.133 0.299 2.430 1.00 . A A . 4 SER HG 1 1 17 3905 1 1 4 SER N N -5.933 -0.346 2.086 1.00 . A A . 4 SER N 1 1 17 3906 1 1 4 SER O O -7.612 -3.435 2.498 1.00 . A A . 4 SER O 1 1 17 3907 1 1 4 SER OG O -9.364 -0.161 2.826 1.00 . A A . 4 SER OG 1 1 17 3908 1 1 5 ASP C C -5.092 -4.736 0.691 1.00 . A A . 5 ASP C 1 1 17 3909 1 1 5 ASP CA C -6.297 -3.993 0.124 1.00 . A A . 5 ASP CA 1 1 17 3910 1 1 5 ASP CB C -6.161 -3.860 -1.393 1.00 . A A . 5 ASP CB 1 1 17 3911 1 1 5 ASP CG C -6.740 -5.050 -2.134 1.00 . A A . 5 ASP CG 1 1 17 3912 1 1 5 ASP H H -6.019 -1.868 0.277 1.00 . A A . 5 ASP H 1 1 17 3913 1 1 5 ASP HA H -7.199 -4.564 0.350 1.00 . A A . 5 ASP HA 1 1 17 3914 1 1 5 ASP HB3 H -5.105 -3.773 -1.651 1.00 . A A . 5 ASP HB3 1 1 17 3915 1 1 5 ASP N N -6.435 -2.678 0.738 1.00 . A A . 5 ASP N 1 1 17 3916 1 1 5 ASP O O -4.025 -4.161 0.911 1.00 . A A . 5 ASP O 1 1 17 3917 1 1 5 ASP OD1 O -5.959 -5.947 -2.516 1.00 . A A . 5 ASP OD1 1 1 17 3918 1 1 5 ASP OD2 O -7.972 -5.083 -2.331 1.00 . A A . 5 ASP OD2 1 1 17 3919 1 1 6 PRO C C -3.074 -7.127 0.483 1.00 . A A . 6 PRO C 1 1 17 3920 1 1 6 PRO CA C -4.200 -6.892 1.484 1.00 . A A . 6 PRO CA 1 1 17 3921 1 1 6 PRO CB C -4.921 -8.205 1.797 1.00 . A A . 6 PRO CB 1 1 17 3922 1 1 6 PRO CD C -6.508 -6.794 0.700 1.00 . A A . 6 PRO CD 1 1 17 3923 1 1 6 PRO CG C -6.088 -8.227 0.871 1.00 . A A . 6 PRO CG 1 1 17 3924 1 1 6 PRO HA H -3.786 -6.474 2.402 1.00 . A A . 6 PRO HA 1 1 17 3925 1 1 6 PRO HB3 H -5.240 -8.209 2.840 1.00 . A A . 6 PRO HB3 1 1 17 3926 1 1 6 PRO HD3 H -7.267 -6.528 1.436 1.00 . A A . 6 PRO HD3 1 1 17 3927 1 1 6 PRO HG3 H -6.898 -8.808 1.312 1.00 . A A . 6 PRO HG3 1 1 17 3928 1 1 6 PRO N N -5.263 -6.043 0.938 1.00 . A A . 6 PRO N 1 1 17 3929 1 1 6 PRO O O -1.931 -7.377 0.867 1.00 . A A . 6 PRO O 1 1 17 3930 1 1 7 ARG C C -1.275 -6.251 -1.736 1.00 . A A . 7 ARG C 1 1 17 3931 1 1 7 ARG CA C -2.420 -7.252 -1.859 1.00 . A A . 7 ARG CA 1 1 17 3932 1 1 7 ARG CB C -3.081 -7.122 -3.232 1.00 . A A . 7 ARG CB 1 1 17 3933 1 1 7 ARG CD C -3.287 -9.467 -4.110 1.00 . A A . 7 ARG CD 1 1 17 3934 1 1 7 ARG CG C -2.574 -8.131 -4.250 1.00 . A A . 7 ARG CG 1 1 17 3935 1 1 7 ARG CZ C -2.913 -11.661 -3.066 1.00 . A A . 7 ARG CZ 1 1 17 3936 1 1 7 ARG H H -4.370 -6.836 -1.055 1.00 . A A . 7 ARG H 1 1 17 3937 1 1 7 ARG HA H -2.020 -8.260 -1.752 1.00 . A A . 7 ARG HA 1 1 17 3938 1 1 7 ARG HB3 H -2.891 -6.121 -3.619 1.00 . A A . 7 ARG HB3 1 1 17 3939 1 1 7 ARG HD3 H -3.487 -9.862 -5.107 1.00 . A A . 7 ARG HD3 1 1 17 3940 1 1 7 ARG HE H -1.558 -10.153 -3.065 1.00 . A A . 7 ARG HE 1 1 17 3941 1 1 7 ARG HG3 H -1.505 -8.281 -4.097 1.00 . A A . 7 ARG HG3 1 1 17 3942 1 1 7 ARG HH11 H -4.724 -11.426 -3.967 1.00 . A A . 7 ARG HH11 1 1 17 3943 1 1 7 ARG HH12 H -4.443 -12.999 -3.212 1.00 . A A . 7 ARG HH12 1 1 17 3944 1 1 7 ARG HH21 H -1.200 -12.184 -2.093 1.00 . A A . 7 ARG HH21 1 1 17 3945 1 1 7 ARG HH22 H -2.455 -13.426 -2.155 1.00 . A A . 7 ARG HH22 1 1 17 3946 1 1 7 ARG N N -3.404 -7.047 -0.802 1.00 . A A . 7 ARG N 1 1 17 3947 1 1 7 ARG NE N -2.490 -10.438 -3.367 1.00 . A A . 7 ARG NE 1 1 17 3948 1 1 7 ARG NH1 N -4.119 -12.060 -3.443 1.00 . A A . 7 ARG NH1 1 1 17 3949 1 1 7 ARG NH2 N -2.129 -12.487 -2.385 1.00 . A A . 7 ARG NH2 1 1 17 3950 1 1 7 ARG O O -0.105 -6.633 -1.678 1.00 . A A . 7 ARG O 1 1 17 3951 1 1 8 CYS C C 0.037 -3.931 -0.207 1.00 . A A . 8 CYS C 1 1 17 3952 1 1 8 CYS CA C -0.621 -3.912 -1.583 1.00 . A A . 8 CYS CA 1 1 17 3953 1 1 8 CYS CB C -1.262 -2.546 -1.835 1.00 . A A . 8 CYS CB 1 1 17 3954 1 1 8 CYS H H -2.606 -4.715 -1.749 1.00 . A A . 8 CYS H 1 1 17 3955 1 1 8 CYS HA H 0.144 -4.089 -2.339 1.00 . A A . 8 CYS HA 1 1 17 3956 1 1 8 CYS HB3 H -0.678 -1.780 -1.325 1.00 . A A . 8 CYS HB3 1 1 17 3957 1 1 8 CYS N N -1.619 -4.968 -1.697 1.00 . A A . 8 CYS N 1 1 17 3958 1 1 8 CYS O O 1.200 -3.557 -0.056 1.00 . A A . 8 CYS O 1 1 17 3959 1 1 8 CYS SG S -1.365 -2.086 -3.594 1.00 . A A . 8 CYS SG 1 1 17 3960 1 1 9 ASN C C 0.871 -5.512 2.287 1.00 . A A . 9 ASN C 1 1 17 3961 1 1 9 ASN CA C -0.207 -4.439 2.162 1.00 . A A . 9 ASN CA 1 1 17 3962 1 1 9 ASN CB C -1.347 -4.729 3.140 1.00 . A A . 9 ASN CB 1 1 17 3963 1 1 9 ASN CG C -1.438 -3.695 4.246 1.00 . A A . 9 ASN CG 1 1 17 3964 1 1 9 ASN H H -1.673 -4.667 0.608 1.00 . A A . 9 ASN H 1 1 17 3965 1 1 9 ASN HA H 0.231 -3.471 2.404 1.00 . A A . 9 ASN HA 1 1 17 3966 1 1 9 ASN HB3 H -1.190 -5.707 3.594 1.00 . A A . 9 ASN HB3 1 1 17 3967 1 1 9 ASN HD21 H -1.813 -2.258 2.874 1.00 . A A . 9 ASN HD21 1 1 17 3968 1 1 9 ASN HD22 H -1.759 -1.731 4.593 1.00 . A A . 9 ASN HD22 1 1 17 3969 1 1 9 ASN N N -0.716 -4.371 0.796 1.00 . A A . 9 ASN N 1 1 17 3970 1 1 9 ASN ND2 N -1.693 -2.447 3.869 1.00 . A A . 9 ASN ND2 1 1 17 3971 1 1 9 ASN O O 1.946 -5.265 2.833 1.00 . A A . 9 ASN O 1 1 17 3972 1 1 9 ASN OD1 O -1.278 -4.015 5.424 1.00 . A A . 9 ASN OD1 1 1 17 3973 1 1 10 TYR C C 2.642 -7.627 0.822 1.00 . A A . 10 TYR C 1 1 17 3974 1 1 10 TYR CA C 1.516 -7.814 1.835 1.00 . A A . 10 TYR CA 1 1 17 3975 1 1 10 TYR CB C 0.794 -9.136 1.573 1.00 . A A . 10 TYR CB 1 1 17 3976 1 1 10 TYR CD1 C 2.261 -10.738 2.860 1.00 . A A . 10 TYR CD1 1 1 17 3977 1 1 10 TYR CD2 C 1.988 -11.096 0.520 1.00 . A A . 10 TYR CD2 1 1 17 3978 1 1 10 TYR CE1 C 3.086 -11.843 2.938 1.00 . A A . 10 TYR CE1 1 1 17 3979 1 1 10 TYR CE2 C 2.812 -12.203 0.588 1.00 . A A . 10 TYR CE2 1 1 17 3980 1 1 10 TYR CG C 1.697 -10.346 1.652 1.00 . A A . 10 TYR CG 1 1 17 3981 1 1 10 TYR CZ C 3.359 -12.572 1.799 1.00 . A A . 10 TYR CZ 1 1 17 3982 1 1 10 TYR H H -0.336 -6.844 1.339 1.00 . A A . 10 TYR H 1 1 17 3983 1 1 10 TYR HA H 1.944 -7.838 2.837 1.00 . A A . 10 TYR HA 1 1 17 3984 1 1 10 TYR HB3 H 0.355 -9.110 0.575 1.00 . A A . 10 TYR HB3 1 1 17 3985 1 1 10 TYR HD1 H 2.045 -10.164 3.750 1.00 . A A . 10 TYR HD1 1 1 17 3986 1 1 10 TYR HD2 H 1.557 -10.805 -0.427 1.00 . A A . 10 TYR HD2 1 1 17 3987 1 1 10 TYR HE1 H 3.516 -12.132 3.885 1.00 . A A . 10 TYR HE1 1 1 17 3988 1 1 10 TYR HE2 H 3.025 -12.774 -0.303 1.00 . A A . 10 TYR HE2 1 1 17 3989 1 1 10 TYR HH H 4.084 -14.207 1.055 1.00 . A A . 10 TYR HH 1 1 17 3990 1 1 10 TYR N N 0.574 -6.702 1.778 1.00 . A A . 10 TYR N 1 1 17 3991 1 1 10 TYR O O 3.774 -8.053 1.049 1.00 . A A . 10 TYR O 1 1 17 3992 1 1 10 TYR OH O 4.182 -13.673 1.870 1.00 . A A . 10 TYR OH 1 1 17 3993 1 1 11 ALA C C 4.241 -5.598 -0.960 1.00 . A A . 11 ALA C 1 1 17 3994 1 1 11 ALA CA C 3.304 -6.737 -1.344 1.00 . A A . 11 ALA CA 1 1 17 3995 1 1 11 ALA CB C 2.606 -6.428 -2.661 1.00 . A A . 11 ALA CB 1 1 17 3996 1 1 11 ALA H H 1.365 -6.656 -0.425 1.00 . A A . 11 ALA H 1 1 17 3997 1 1 11 ALA HA H 3.891 -7.647 -1.477 1.00 . A A . 11 ALA HA 1 1 17 3998 1 1 11 ALA HB1 H 1.809 -7.153 -2.826 1.00 . A A . 11 ALA HB1 1 1 17 3999 1 1 11 ALA HB2 H 2.183 -5.424 -2.620 1.00 . A A . 11 ALA HB2 1 1 17 4000 1 1 11 ALA HB3 H 3.326 -6.488 -3.476 1.00 . A A . 11 ALA HB3 1 1 17 4001 1 1 11 ALA N N 2.321 -6.985 -0.296 1.00 . A A . 11 ALA N 1 1 17 4002 1 1 11 ALA O O 5.448 -5.665 -1.196 1.00 . A A . 11 ALA O 1 1 17 4003 1 1 12 HIS C C 4.342 -3.168 1.556 1.00 . A A . 12 HIS C 1 1 17 4004 1 1 12 HIS CA C 4.464 -3.394 0.051 1.00 . A A . 12 HIS CA 1 1 17 4005 1 1 12 HIS CB C 4.023 -2.095 -0.623 1.00 . A A . 12 HIS CB 1 1 17 4006 1 1 12 HIS CD2 C 2.286 -1.729 -2.515 1.00 . A A . 12 HIS CD2 1 1 17 4007 1 1 12 HIS CE1 C 3.093 -3.158 -3.970 1.00 . A A . 12 HIS CE1 1 1 17 4008 1 1 12 HIS CG C 3.380 -2.302 -1.959 1.00 . A A . 12 HIS CG 1 1 17 4009 1 1 12 HIS H H 2.672 -4.554 -0.197 1.00 . A A . 12 HIS H 1 1 17 4010 1 1 12 HIS HA H 5.508 -3.594 -0.189 1.00 . A A . 12 HIS HA 1 1 17 4011 1 1 12 HIS HB3 H 4.893 -1.454 -0.765 1.00 . A A . 12 HIS HB3 1 1 17 4012 1 1 12 HIS HD2 H 1.656 -0.980 -2.062 1.00 . A A . 12 HIS HD2 1 1 17 4013 1 1 12 HIS HE1 H 3.228 -3.748 -4.864 1.00 . A A . 12 HIS HE1 1 1 17 4014 1 1 12 HIS HE2 H 1.389 -2.042 -4.425 1.00 . A A . 12 HIS HE2 1 1 17 4015 1 1 12 HIS N N 3.678 -4.549 -0.366 1.00 . A A . 12 HIS N 1 1 17 4016 1 1 12 HIS ND1 N 3.861 -3.193 -2.895 1.00 . A A . 12 HIS ND1 1 1 17 4017 1 1 12 HIS NE2 N 2.130 -2.277 -3.764 1.00 . A A . 12 HIS NE2 1 1 17 4018 1 1 12 HIS O O 3.818 -2.154 2.015 1.00 . A A . 12 HIS O 1 1 17 4019 1 1 13 PRO C C 5.732 -3.000 4.361 1.00 . A A . 13 PRO C 1 1 17 4020 1 1 13 PRO CA C 4.795 -4.067 3.805 1.00 . A A . 13 PRO CA 1 1 17 4021 1 1 13 PRO CB C 5.252 -5.461 4.240 1.00 . A A . 13 PRO CB 1 1 17 4022 1 1 13 PRO CD C 5.475 -5.374 1.862 1.00 . A A . 13 PRO CD 1 1 17 4023 1 1 13 PRO CG C 6.083 -5.957 3.107 1.00 . A A . 13 PRO CG 1 1 17 4024 1 1 13 PRO HA H 3.782 -3.885 4.168 1.00 . A A . 13 PRO HA 1 1 17 4025 1 1 13 PRO HB3 H 4.383 -6.097 4.407 1.00 . A A . 13 PRO HB3 1 1 17 4026 1 1 13 PRO HD3 H 4.736 -6.056 1.444 1.00 . A A . 13 PRO HD3 1 1 17 4027 1 1 13 PRO HG3 H 6.045 -7.046 3.072 1.00 . A A . 13 PRO HG3 1 1 17 4028 1 1 13 PRO N N 4.837 -4.136 2.342 1.00 . A A . 13 PRO N 1 1 17 4029 1 1 13 PRO O O 5.400 -2.310 5.324 1.00 . A A . 13 PRO O 1 1 17 4030 1 1 14 ALA C C 7.292 -0.484 4.197 1.00 . A A . 14 ALA C 1 1 17 4031 1 1 14 ALA CA C 7.889 -1.887 4.182 1.00 . A A . 14 ALA CA 1 1 17 4032 1 1 14 ALA CB C 9.113 -1.934 3.280 1.00 . A A . 14 ALA CB 1 1 17 4033 1 1 14 ALA H H 7.120 -3.476 2.956 1.00 . A A . 14 ALA H 1 1 17 4034 1 1 14 ALA HA H 8.203 -2.147 5.193 1.00 . A A . 14 ALA HA 1 1 17 4035 1 1 14 ALA HB1 H 8.804 -2.162 2.260 1.00 . A A . 14 ALA HB1 1 1 17 4036 1 1 14 ALA HB2 H 9.616 -0.967 3.301 1.00 . A A . 14 ALA HB2 1 1 17 4037 1 1 14 ALA HB3 H 9.796 -2.706 3.634 1.00 . A A . 14 ALA HB3 1 1 17 4038 1 1 14 ALA N N 6.905 -2.871 3.749 1.00 . A A . 14 ALA N 1 1 17 4039 1 1 14 ALA O O 7.453 0.258 5.165 1.00 . A A . 14 ALA O 1 1 17 4040 1 1 15 ILE C C 4.706 1.124 2.177 1.00 . A A . 15 ILE C 1 1 17 4041 1 1 15 ILE CA C 5.984 1.187 3.006 1.00 . A A . 15 ILE CA 1 1 17 4042 1 1 15 ILE CB C 6.945 2.211 2.373 1.00 . A A . 15 ILE CB 1 1 17 4043 1 1 15 ILE CD1 C 9.311 3.141 2.499 1.00 . A A . 15 ILE CD1 1 1 17 4044 1 1 15 ILE CG1 C 8.294 2.194 3.095 1.00 . A A . 15 ILE CG1 1 1 17 4045 1 1 15 ILE CG2 C 6.335 3.604 2.412 1.00 . A A . 15 ILE CG2 1 1 17 4046 1 1 15 ILE H H 6.508 -0.790 2.347 1.00 . A A . 15 ILE H 1 1 17 4047 1 1 15 ILE HA H 5.737 1.527 4.011 1.00 . A A . 15 ILE HA 1 1 17 4048 1 1 15 ILE HB H 7.097 1.937 1.328 1.00 . A A . 15 ILE HB 1 1 17 4049 1 1 15 ILE HD11 H 9.541 2.834 1.480 1.00 . A A . 15 ILE HD11 1 1 17 4050 1 1 15 ILE HD12 H 8.905 4.153 2.492 1.00 . A A . 15 ILE HD12 1 1 17 4051 1 1 15 ILE HD13 H 10.221 3.121 3.098 1.00 . A A . 15 ILE HD13 1 1 17 4052 1 1 15 ILE HG13 H 8.708 1.186 3.050 1.00 . A A . 15 ILE HG13 1 1 17 4053 1 1 15 ILE HG21 H 6.382 4.050 1.419 1.00 . A A . 15 ILE HG21 1 1 17 4054 1 1 15 ILE HG22 H 5.294 3.536 2.729 1.00 . A A . 15 ILE HG22 1 1 17 4055 1 1 15 ILE HG23 H 6.890 4.224 3.116 1.00 . A A . 15 ILE HG23 1 1 17 4056 1 1 15 ILE N N 6.605 -0.127 3.117 1.00 . A A . 15 ILE N 1 1 17 4057 1 1 15 ILE O O 4.706 0.614 1.055 1.00 . A A . 15 ILE O 1 1 17 4058 1 1 16 CYS C C 2.236 2.835 1.086 1.00 . A A . 16 CYS C 1 1 17 4059 1 1 16 CYS CA C 2.335 1.653 2.046 1.00 . A A . 16 CYS CA 1 1 17 4060 1 1 16 CYS CB C 1.190 1.709 3.060 1.00 . A A . 16 CYS CB 1 1 17 4061 1 1 16 CYS H H 3.686 2.056 3.666 1.00 . A A . 16 CYS H 1 1 17 4062 1 1 16 CYS HA H 2.256 0.729 1.473 1.00 . A A . 16 CYS HA 1 1 17 4063 1 1 16 CYS HB3 H 1.170 2.697 3.520 1.00 . A A . 16 CYS HB3 1 1 17 4064 1 1 16 CYS N N 3.620 1.648 2.734 1.00 . A A . 16 CYS N 1 1 17 4065 1 1 16 CYS O O 1.305 3.636 1.164 1.00 . A A . 16 CYS O 1 1 17 4066 1 1 16 CYS SG S -0.455 1.397 2.342 1.00 . A A . 16 CYS SG 1 1 17 4067 1 1 17 GLY C C 2.071 3.919 -1.780 1.00 . A A . 17 GLY C 1 1 17 4068 1 1 17 GLY CA C 3.208 4.022 -0.783 1.00 . A A . 17 GLY CA 1 1 17 4069 1 1 17 GLY H H 3.950 2.241 0.164 1.00 . A A . 17 GLY H 1 1 17 4070 1 1 17 GLY HA2 H 3.122 4.968 -0.248 1.00 . A A . 17 GLY HA2 1 1 17 4071 1 1 17 GLY HA3 H 4.154 4.008 -1.325 1.00 . A A . 17 GLY HA3 1 1 17 4072 1 1 17 GLY N N 3.204 2.936 0.180 1.00 . A A . 17 GLY N 1 1 17 4073 1 1 17 GLY O O 1.521 4.930 -2.214 1.00 . A A . 17 GLY O 1 1 17 4074 1 1 18 GLY C C -0.637 3.189 -2.692 1.00 . A A . 18 GLY C 1 1 17 4075 1 1 18 GLY CA C 0.641 2.480 -3.097 1.00 . A A . 18 GLY CA 1 1 17 4076 1 1 18 GLY H H 2.210 1.889 -1.752 1.00 . A A . 18 GLY H 1 1 17 4077 1 1 18 GLY HA2 H 0.957 2.849 -4.072 1.00 . A A . 18 GLY HA2 1 1 17 4078 1 1 18 GLY HA3 H 0.442 1.411 -3.171 1.00 . A A . 18 GLY HA3 1 1 17 4079 1 1 18 GLY N N 1.717 2.690 -2.146 1.00 . A A . 18 GLY N 1 1 17 4080 1 1 18 GLY O O -1.457 3.534 -3.541 1.00 . A A . 18 GLY O 1 1 17 4081 1 1 19 ALA C C -2.170 5.447 -1.522 1.00 . A A . 19 ALA C 1 1 17 4082 1 1 19 ALA CA C -1.992 4.076 -0.877 1.00 . A A . 19 ALA CA 1 1 17 4083 1 1 19 ALA CB C -1.908 4.211 0.636 1.00 . A A . 19 ALA CB 1 1 17 4084 1 1 19 ALA H H -0.087 3.094 -0.739 1.00 . A A . 19 ALA H 1 1 17 4085 1 1 19 ALA HA H -2.858 3.459 -1.115 1.00 . A A . 19 ALA HA 1 1 17 4086 1 1 19 ALA HB1 H -2.743 3.680 1.095 1.00 . A A . 19 ALA HB1 1 1 17 4087 1 1 19 ALA HB2 H -0.969 3.783 0.987 1.00 . A A . 19 ALA HB2 1 1 17 4088 1 1 19 ALA HB3 H -1.951 5.265 0.910 1.00 . A A . 19 ALA HB3 1 1 17 4089 1 1 19 ALA N N -0.806 3.404 -1.392 1.00 . A A . 19 ALA N 1 1 17 4090 1 1 19 ALA O O -3.294 5.913 -1.710 1.00 . A A . 19 ALA O 1 1 17 4091 1 1 20 ALA C C -1.949 7.389 -3.746 1.00 . A A . 20 ALA C 1 1 17 4092 1 1 20 ALA CA C -1.090 7.402 -2.486 1.00 . A A . 20 ALA CA 1 1 17 4093 1 1 20 ALA CB C 0.321 7.868 -2.812 1.00 . A A . 20 ALA CB 1 1 17 4094 1 1 20 ALA H H -0.155 5.645 -1.679 1.00 . A A . 20 ALA H 1 1 17 4095 1 1 20 ALA HA H -1.521 8.104 -1.772 1.00 . A A . 20 ALA HA 1 1 17 4096 1 1 20 ALA HB1 H 0.394 8.944 -2.651 1.00 . A A . 20 ALA HB1 1 1 17 4097 1 1 20 ALA HB2 H 1.032 7.353 -2.166 1.00 . A A . 20 ALA HB2 1 1 17 4098 1 1 20 ALA HB3 H 0.547 7.641 -3.855 1.00 . A A . 20 ALA HB3 1 1 17 4099 1 1 20 ALA N N -1.056 6.086 -1.861 1.00 . A A . 20 ALA N 1 1 17 4100 1 1 20 ALA O O -2.737 8.304 -3.981 1.00 . A A . 20 ALA O 1 1 17 4101 1 1 21 GLY C C -4.023 5.935 -5.523 1.00 . A A . 21 GLY C 1 1 17 4102 1 1 21 GLY CA C -2.559 6.232 -5.780 1.00 . A A . 21 GLY CA 1 1 17 4103 1 1 21 GLY H H -1.122 5.615 -4.305 1.00 . A A . 21 GLY H 1 1 17 4104 1 1 21 GLY HA2 H -2.481 7.169 -6.332 1.00 . A A . 21 GLY HA2 1 1 17 4105 1 1 21 GLY HA3 H -2.139 5.430 -6.386 1.00 . A A . 21 GLY HA3 1 1 17 4106 1 1 21 GLY N N -1.792 6.344 -4.553 1.00 . A A . 21 GLY N 1 1 17 4107 1 1 21 GLY O O -4.904 6.544 -6.129 1.00 . A A . 21 GLY O 1 1 17 4108 1 1 22 GLY C C -5.752 3.787 -3.047 1.00 . A A . 22 GLY C 1 1 17 4109 1 1 22 GLY CA C -5.653 4.630 -4.302 1.00 . A A . 22 GLY CA 1 1 17 4110 1 1 22 GLY H H -3.511 4.522 -4.150 1.00 . A A . 22 GLY H 1 1 17 4111 1 1 22 GLY HA2 H -6.234 5.541 -4.161 1.00 . A A . 22 GLY HA2 1 1 17 4112 1 1 22 GLY HA3 H -6.072 4.069 -5.137 1.00 . A A . 22 GLY HA3 1 1 17 4113 1 1 22 GLY N N -4.284 4.993 -4.621 1.00 . A A . 22 GLY N 1 1 17 4114 1 1 22 GLY O O -5.097 4.073 -2.045 1.00 . A A . 22 GLY O 1 1 18 4115 1 1 1 GLY C C -5.989 0.622 -1.578 1.00 . A A . 1 GLY C 1 1 18 4116 1 1 1 GLY CA C -6.908 1.800 -1.829 1.00 . A A . 1 GLY CA 1 1 18 4117 1 1 1 GLY H1 H -6.574 1.878 -3.762 1.00 . A A . 1 GLY H1 1 1 18 4118 1 1 1 GLY HA2 H -6.877 2.463 -0.964 1.00 . A A . 1 GLY HA2 1 1 18 4119 1 1 1 GLY HA3 H -7.926 1.433 -1.955 1.00 . A A . 1 GLY HA3 1 1 18 4120 1 1 1 GLY N N -6.535 2.554 -3.012 1.00 . A A . 1 GLY N 1 1 18 4121 1 1 1 GLY O O -6.449 -0.490 -1.319 1.00 . A A . 1 GLY O 1 1 18 4122 1 1 2 CYS C C -3.611 -0.553 0.040 1.00 . A A . 2 CYS C 1 1 18 4123 1 1 2 CYS CA C -3.697 -0.186 -1.439 1.00 . A A . 2 CYS CA 1 1 18 4124 1 1 2 CYS CB C -2.324 0.262 -1.945 1.00 . A A . 2 CYS CB 1 1 18 4125 1 1 2 CYS H H -4.366 1.808 -1.876 1.00 . A A . 2 CYS H 1 1 18 4126 1 1 2 CYS HA H -4.013 -1.065 -2.001 1.00 . A A . 2 CYS HA 1 1 18 4127 1 1 2 CYS HB3 H -1.552 -0.170 -1.308 1.00 . A A . 2 CYS HB3 1 1 18 4128 1 1 2 CYS N N -4.684 0.864 -1.657 1.00 . A A . 2 CYS N 1 1 18 4129 1 1 2 CYS O O -3.572 -1.731 0.397 1.00 . A A . 2 CYS O 1 1 18 4130 1 1 2 CYS SG S -1.969 -0.230 -3.662 1.00 . A A . 2 CYS SG 1 1 18 4131 1 1 3 CYS C C -4.692 -0.565 2.832 1.00 . A A . 3 CYS C 1 1 18 4132 1 1 3 CYS CA C -3.501 0.250 2.335 1.00 . A A . 3 CYS CA 1 1 18 4133 1 1 3 CYS CB C -3.444 1.592 3.068 1.00 . A A . 3 CYS CB 1 1 18 4134 1 1 3 CYS H H -3.618 1.417 0.536 1.00 . A A . 3 CYS H 1 1 18 4135 1 1 3 CYS HA H -2.585 -0.305 2.541 1.00 . A A . 3 CYS HA 1 1 18 4136 1 1 3 CYS HB3 H -3.918 1.483 4.044 1.00 . A A . 3 CYS HB3 1 1 18 4137 1 1 3 CYS N N -3.583 0.463 0.896 1.00 . A A . 3 CYS N 1 1 18 4138 1 1 3 CYS O O -4.566 -1.363 3.761 1.00 . A A . 3 CYS O 1 1 18 4139 1 1 3 CYS SG S -1.757 2.222 3.338 1.00 . A A . 3 CYS SG 1 1 18 4140 1 1 4 SER C C -7.019 -2.513 2.101 1.00 . A A . 4 SER C 1 1 18 4141 1 1 4 SER CA C -7.060 -1.069 2.588 1.00 . A A . 4 SER CA 1 1 18 4142 1 1 4 SER CB C -8.291 -0.362 2.018 1.00 . A A . 4 SER CB 1 1 18 4143 1 1 4 SER H H -5.883 0.319 1.445 1.00 . A A . 4 SER H 1 1 18 4144 1 1 4 SER HA H -7.122 -1.067 3.677 1.00 . A A . 4 SER HA 1 1 18 4145 1 1 4 SER HB3 H -8.099 -0.081 0.983 1.00 . A A . 4 SER HB3 1 1 18 4146 1 1 4 SER HG H -10.202 -0.730 1.689 1.00 . A A . 4 SER HG 1 1 18 4147 1 1 4 SER N N -5.846 -0.357 2.208 1.00 . A A . 4 SER N 1 1 18 4148 1 1 4 SER O O -7.538 -3.417 2.756 1.00 . A A . 4 SER O 1 1 18 4149 1 1 4 SER OG O -9.429 -1.206 2.058 1.00 . A A . 4 SER OG 1 1 18 4150 1 1 5 ASP C C -5.067 -4.789 0.923 1.00 . A A . 5 ASP C 1 1 18 4151 1 1 5 ASP CA C -6.286 -4.058 0.369 1.00 . A A . 5 ASP CA 1 1 18 4152 1 1 5 ASP CB C -6.195 -3.973 -1.156 1.00 . A A . 5 ASP CB 1 1 18 4153 1 1 5 ASP CG C -6.801 -5.181 -1.841 1.00 . A A . 5 ASP CG 1 1 18 4154 1 1 5 ASP H H -5.987 -1.932 0.450 1.00 . A A . 5 ASP H 1 1 18 4155 1 1 5 ASP HA H -7.182 -4.615 0.639 1.00 . A A . 5 ASP HA 1 1 18 4156 1 1 5 ASP HB3 H -5.146 -3.899 -1.447 1.00 . A A . 5 ASP HB3 1 1 18 4157 1 1 5 ASP N N -6.397 -2.724 0.945 1.00 . A A . 5 ASP N 1 1 18 4158 1 1 5 ASP O O -3.990 -4.216 1.091 1.00 . A A . 5 ASP O 1 1 18 4159 1 1 5 ASP OD1 O -8.005 -5.136 -2.168 1.00 . A A . 5 ASP OD1 1 1 18 4160 1 1 5 ASP OD2 O -6.071 -6.172 -2.050 1.00 . A A . 5 ASP OD2 1 1 18 4161 1 1 6 PRO C C -3.070 -7.200 0.729 1.00 . A A . 6 PRO C 1 1 18 4162 1 1 6 PRO CA C -4.164 -6.925 1.756 1.00 . A A . 6 PRO CA 1 1 18 4163 1 1 6 PRO CB C -4.881 -8.224 2.133 1.00 . A A . 6 PRO CB 1 1 18 4164 1 1 6 PRO CD C -6.493 -6.837 1.041 1.00 . A A . 6 PRO CD 1 1 18 4165 1 1 6 PRO CG C -6.076 -8.267 1.245 1.00 . A A . 6 PRO CG 1 1 18 4166 1 1 6 PRO HA H -3.719 -6.481 2.647 1.00 . A A . 6 PRO HA 1 1 18 4167 1 1 6 PRO HB3 H -5.167 -8.193 3.185 1.00 . A A . 6 PRO HB3 1 1 18 4168 1 1 6 PRO HD3 H -7.228 -6.544 1.791 1.00 . A A . 6 PRO HD3 1 1 18 4169 1 1 6 PRO HG3 H -6.875 -8.829 1.728 1.00 . A A . 6 PRO HG3 1 1 18 4170 1 1 6 PRO N N -5.238 -6.088 1.216 1.00 . A A . 6 PRO N 1 1 18 4171 1 1 6 PRO O O -1.917 -7.443 1.085 1.00 . A A . 6 PRO O 1 1 18 4172 1 1 7 ARG C C -1.336 -6.408 -1.571 1.00 . A A . 7 ARG C 1 1 18 4173 1 1 7 ARG CA C -2.490 -7.405 -1.626 1.00 . A A . 7 ARG CA 1 1 18 4174 1 1 7 ARG CB C -3.192 -7.315 -2.982 1.00 . A A . 7 ARG CB 1 1 18 4175 1 1 7 ARG CD C -1.348 -8.572 -4.138 1.00 . A A . 7 ARG CD 1 1 18 4176 1 1 7 ARG CG C -2.237 -7.339 -4.164 1.00 . A A . 7 ARG CG 1 1 18 4177 1 1 7 ARG CZ C -2.893 -10.373 -4.778 1.00 . A A . 7 ARG CZ 1 1 18 4178 1 1 7 ARG H H -4.411 -6.951 -0.777 1.00 . A A . 7 ARG H 1 1 18 4179 1 1 7 ARG HA H -2.092 -8.412 -1.498 1.00 . A A . 7 ARG HA 1 1 18 4180 1 1 7 ARG HB3 H -3.762 -6.386 -3.022 1.00 . A A . 7 ARG HB3 1 1 18 4181 1 1 7 ARG HD3 H -0.601 -8.446 -3.354 1.00 . A A . 7 ARG HD3 1 1 18 4182 1 1 7 ARG HE H -2.029 -10.210 -2.951 1.00 . A A . 7 ARG HE 1 1 18 4183 1 1 7 ARG HG3 H -1.610 -6.448 -4.131 1.00 . A A . 7 ARG HG3 1 1 18 4184 1 1 7 ARG HH11 H -2.510 -9.002 -6.233 1.00 . A A . 7 ARG HH11 1 1 18 4185 1 1 7 ARG HH12 H -3.619 -10.302 -6.680 1.00 . A A . 7 ARG HH12 1 1 18 4186 1 1 7 ARG HH21 H -3.460 -11.886 -3.534 1.00 . A A . 7 ARG HH21 1 1 18 4187 1 1 7 ARG HH22 H -4.157 -11.927 -5.157 1.00 . A A . 7 ARG HH22 1 1 18 4188 1 1 7 ARG N N -3.439 -7.159 -0.547 1.00 . A A . 7 ARG N 1 1 18 4189 1 1 7 ARG NE N -2.110 -9.791 -3.878 1.00 . A A . 7 ARG NE 1 1 18 4190 1 1 7 ARG NH1 N -3.018 -9.852 -5.990 1.00 . A A . 7 ARG NH1 1 1 18 4191 1 1 7 ARG NH2 N -3.554 -11.481 -4.466 1.00 . A A . 7 ARG NH2 1 1 18 4192 1 1 7 ARG O O -0.167 -6.795 -1.537 1.00 . A A . 7 ARG O 1 1 18 4193 1 1 8 CYS C C 0.042 -4.054 -0.163 1.00 . A A . 8 CYS C 1 1 18 4194 1 1 8 CYS CA C -0.664 -4.069 -1.516 1.00 . A A . 8 CYS CA 1 1 18 4195 1 1 8 CYS CB C -1.308 -2.707 -1.782 1.00 . A A . 8 CYS CB 1 1 18 4196 1 1 8 CYS H H -2.658 -4.864 -1.595 1.00 . A A . 8 CYS H 1 1 18 4197 1 1 8 CYS HA H 0.071 -4.272 -2.294 1.00 . A A . 8 CYS HA 1 1 18 4198 1 1 8 CYS HB3 H -0.704 -1.930 -1.311 1.00 . A A . 8 CYS HB3 1 1 18 4199 1 1 8 CYS N N -1.671 -5.122 -1.565 1.00 . A A . 8 CYS N 1 1 18 4200 1 1 8 CYS O O 1.211 -3.685 -0.066 1.00 . A A . 8 CYS O 1 1 18 4201 1 1 8 CYS SG S -1.465 -2.292 -3.549 1.00 . A A . 8 CYS SG 1 1 18 4202 1 1 9 ASN C C 0.952 -5.570 2.345 1.00 . A A . 9 ASN C 1 1 18 4203 1 1 9 ASN CA C -0.121 -4.491 2.226 1.00 . A A . 9 ASN CA 1 1 18 4204 1 1 9 ASN CB C -1.228 -4.743 3.252 1.00 . A A . 9 ASN CB 1 1 18 4205 1 1 9 ASN CG C -1.290 -3.660 4.311 1.00 . A A . 9 ASN CG 1 1 18 4206 1 1 9 ASN H H -1.644 -4.753 0.733 1.00 . A A . 9 ASN H 1 1 18 4207 1 1 9 ASN HA H 0.332 -3.520 2.424 1.00 . A A . 9 ASN HA 1 1 18 4208 1 1 9 ASN HB3 H -1.049 -5.698 3.744 1.00 . A A . 9 ASN HB3 1 1 18 4209 1 1 9 ASN HD21 H -1.701 -2.287 2.886 1.00 . A A . 9 ASN HD21 1 1 18 4210 1 1 9 ASN HD22 H -1.604 -1.682 4.576 1.00 . A A . 9 ASN HD22 1 1 18 4211 1 1 9 ASN N N -0.678 -4.458 0.878 1.00 . A A . 9 ASN N 1 1 18 4212 1 1 9 ASN ND2 N -1.557 -2.430 3.886 1.00 . A A . 9 ASN ND2 1 1 18 4213 1 1 9 ASN O O 2.048 -5.318 2.845 1.00 . A A . 9 ASN O 1 1 18 4214 1 1 9 ASN OD1 O -1.102 -3.925 5.499 1.00 . A A . 9 ASN OD1 1 1 18 4215 1 1 10 TYR C C 2.653 -7.742 0.879 1.00 . A A . 10 TYR C 1 1 18 4216 1 1 10 TYR CA C 1.563 -7.889 1.936 1.00 . A A . 10 TYR CA 1 1 18 4217 1 1 10 TYR CB C 0.821 -9.213 1.737 1.00 . A A . 10 TYR CB 1 1 18 4218 1 1 10 TYR CD1 C 1.826 -11.503 1.396 1.00 . A A . 10 TYR CD1 1 1 18 4219 1 1 10 TYR CD2 C 2.077 -10.472 3.529 1.00 . A A . 10 TYR CD2 1 1 18 4220 1 1 10 TYR CE1 C 2.528 -12.607 1.841 1.00 . A A . 10 TYR CE1 1 1 18 4221 1 1 10 TYR CE2 C 2.781 -11.570 3.984 1.00 . A A . 10 TYR CE2 1 1 18 4222 1 1 10 TYR CG C 1.589 -10.418 2.230 1.00 . A A . 10 TYR CG 1 1 18 4223 1 1 10 TYR CZ C 3.003 -12.636 3.136 1.00 . A A . 10 TYR CZ 1 1 18 4224 1 1 10 TYR H H -0.298 -6.916 1.477 1.00 . A A . 10 TYR H 1 1 18 4225 1 1 10 TYR HA H 2.027 -7.890 2.922 1.00 . A A . 10 TYR HA 1 1 18 4226 1 1 10 TYR HB3 H 0.622 -9.353 0.674 1.00 . A A . 10 TYR HB3 1 1 18 4227 1 1 10 TYR HD1 H 1.454 -11.478 0.382 1.00 . A A . 10 TYR HD1 1 1 18 4228 1 1 10 TYR HD2 H 1.901 -9.637 4.190 1.00 . A A . 10 TYR HD2 1 1 18 4229 1 1 10 TYR HE1 H 2.703 -13.441 1.178 1.00 . A A . 10 TYR HE1 1 1 18 4230 1 1 10 TYR HE2 H 3.152 -11.594 4.998 1.00 . A A . 10 TYR HE2 1 1 18 4231 1 1 10 TYR HH H 4.166 -13.507 4.418 1.00 . A A . 10 TYR HH 1 1 18 4232 1 1 10 TYR N N 0.628 -6.772 1.880 1.00 . A A . 10 TYR N 1 1 18 4233 1 1 10 TYR O O 3.789 -8.171 1.078 1.00 . A A . 10 TYR O 1 1 18 4234 1 1 10 TYR OH O 3.702 -13.733 3.585 1.00 . A A . 10 TYR OH 1 1 18 4235 1 1 11 ALA C C 4.203 -5.779 -1.017 1.00 . A A . 11 ALA C 1 1 18 4236 1 1 11 ALA CA C 3.245 -6.921 -1.334 1.00 . A A . 11 ALA CA 1 1 18 4237 1 1 11 ALA CB C 2.503 -6.644 -2.633 1.00 . A A . 11 ALA CB 1 1 18 4238 1 1 11 ALA H H 1.339 -6.797 -0.349 1.00 . A A . 11 ALA H 1 1 18 4239 1 1 11 ALA HA H 3.819 -7.840 -1.462 1.00 . A A . 11 ALA HA 1 1 18 4240 1 1 11 ALA HB1 H 2.092 -5.635 -2.608 1.00 . A A . 11 ALA HB1 1 1 18 4241 1 1 11 ALA HB2 H 3.193 -6.736 -3.472 1.00 . A A . 11 ALA HB2 1 1 18 4242 1 1 11 ALA HB3 H 1.693 -7.364 -2.749 1.00 . A A . 11 ALA HB3 1 1 18 4243 1 1 11 ALA N N 2.298 -7.129 -0.246 1.00 . A A . 11 ALA N 1 1 18 4244 1 1 11 ALA O O 5.400 -5.863 -1.294 1.00 . A A . 11 ALA O 1 1 18 4245 1 1 12 HIS C C 4.413 -3.280 1.422 1.00 . A A . 12 HIS C 1 1 18 4246 1 1 12 HIS CA C 4.479 -3.549 -0.078 1.00 . A A . 12 HIS CA 1 1 18 4247 1 1 12 HIS CB C 4.024 -2.266 -0.774 1.00 . A A . 12 HIS CB 1 1 18 4248 1 1 12 HIS CD2 C 2.224 -1.939 -2.614 1.00 . A A . 12 HIS CD2 1 1 18 4249 1 1 12 HIS CE1 C 2.967 -3.417 -4.054 1.00 . A A . 12 HIS CE1 1 1 18 4250 1 1 12 HIS CG C 3.332 -2.507 -2.080 1.00 . A A . 12 HIS CG 1 1 18 4251 1 1 12 HIS H H 2.671 -4.701 -0.230 1.00 . A A . 12 HIS H 1 1 18 4252 1 1 12 HIS HA H 5.513 -3.764 -0.351 1.00 . A A . 12 HIS HA 1 1 18 4253 1 1 12 HIS HB3 H 4.892 -1.636 -0.965 1.00 . A A . 12 HIS HB3 1 1 18 4254 1 1 12 HIS HD2 H 1.615 -1.172 -2.160 1.00 . A A . 12 HIS HD2 1 1 18 4255 1 1 12 HIS HE1 H 3.066 -4.033 -4.935 1.00 . A A . 12 HIS HE1 1 1 18 4256 1 1 12 HIS HE2 H 1.259 -2.300 -4.483 1.00 . A A . 12 HIS HE2 1 1 18 4257 1 1 12 HIS N N 3.670 -4.709 -0.433 1.00 . A A . 12 HIS N 1 1 18 4258 1 1 12 HIS ND1 N 3.772 -3.428 -3.007 1.00 . A A . 12 HIS ND1 1 1 18 4259 1 1 12 HIS NE2 N 2.020 -2.522 -3.841 1.00 . A A . 12 HIS NE2 1 1 18 4260 1 1 12 HIS O O 3.913 -2.248 1.871 1.00 . A A . 12 HIS O 1 1 18 4261 1 1 13 PRO C C 5.904 -3.043 4.171 1.00 . A A . 13 PRO C 1 1 18 4262 1 1 13 PRO CA C 4.940 -4.116 3.679 1.00 . A A . 13 PRO CA 1 1 18 4263 1 1 13 PRO CB C 5.402 -5.501 4.138 1.00 . A A . 13 PRO CB 1 1 18 4264 1 1 13 PRO CD C 5.541 -5.484 1.752 1.00 . A A . 13 PRO CD 1 1 18 4265 1 1 13 PRO CG C 6.188 -6.037 2.991 1.00 . A A . 13 PRO CG 1 1 18 4266 1 1 13 PRO HA H 3.944 -3.915 4.072 1.00 . A A . 13 PRO HA 1 1 18 4267 1 1 13 PRO HB3 H 4.535 -6.125 4.354 1.00 . A A . 13 PRO HB3 1 1 18 4268 1 1 13 PRO HD3 H 4.782 -6.171 1.379 1.00 . A A . 13 PRO HD3 1 1 18 4269 1 1 13 PRO HG3 H 6.141 -7.126 2.987 1.00 . A A . 13 PRO HG3 1 1 18 4270 1 1 13 PRO N N 4.928 -4.228 2.218 1.00 . A A . 13 PRO N 1 1 18 4271 1 1 13 PRO O O 5.617 -2.330 5.133 1.00 . A A . 13 PRO O 1 1 18 4272 1 1 14 ALA C C 7.463 -0.537 3.886 1.00 . A A . 14 ALA C 1 1 18 4273 1 1 14 ALA CA C 8.054 -1.943 3.872 1.00 . A A . 14 ALA CA 1 1 18 4274 1 1 14 ALA CB C 9.236 -2.011 2.917 1.00 . A A . 14 ALA CB 1 1 18 4275 1 1 14 ALA H H 7.227 -3.552 2.715 1.00 . A A . 14 ALA H 1 1 18 4276 1 1 14 ALA HA H 8.413 -2.184 4.872 1.00 . A A . 14 ALA HA 1 1 18 4277 1 1 14 ALA HB1 H 9.995 -1.293 3.228 1.00 . A A . 14 ALA HB1 1 1 18 4278 1 1 14 ALA HB2 H 9.657 -3.015 2.930 1.00 . A A . 14 ALA HB2 1 1 18 4279 1 1 14 ALA HB3 H 8.901 -1.770 1.907 1.00 . A A . 14 ALA HB3 1 1 18 4280 1 1 14 ALA N N 7.049 -2.931 3.505 1.00 . A A . 14 ALA N 1 1 18 4281 1 1 14 ALA O O 7.669 0.224 4.832 1.00 . A A . 14 ALA O 1 1 18 4282 1 1 15 ILE C C 4.804 1.044 1.934 1.00 . A A . 15 ILE C 1 1 18 4283 1 1 15 ILE CA C 6.106 1.114 2.723 1.00 . A A . 15 ILE CA 1 1 18 4284 1 1 15 ILE CB C 7.048 2.129 2.048 1.00 . A A . 15 ILE CB 1 1 18 4285 1 1 15 ILE CD1 C 7.995 3.024 4.235 1.00 . A A . 15 ILE CD1 1 1 18 4286 1 1 15 ILE CG1 C 8.292 2.356 2.910 1.00 . A A . 15 ILE CG1 1 1 18 4287 1 1 15 ILE CG2 C 6.322 3.443 1.800 1.00 . A A . 15 ILE CG2 1 1 18 4288 1 1 15 ILE H H 6.594 -0.876 2.081 1.00 . A A . 15 ILE H 1 1 18 4289 1 1 15 ILE HA H 5.889 1.467 3.732 1.00 . A A . 15 ILE HA 1 1 18 4290 1 1 15 ILE HB H 7.352 1.722 1.083 1.00 . A A . 15 ILE HB 1 1 18 4291 1 1 15 ILE HD11 H 8.467 4.006 4.261 1.00 . A A . 15 ILE HD11 1 1 18 4292 1 1 15 ILE HD12 H 6.917 3.134 4.354 1.00 . A A . 15 ILE HD12 1 1 18 4293 1 1 15 ILE HD13 H 8.390 2.411 5.045 1.00 . A A . 15 ILE HD13 1 1 18 4294 1 1 15 ILE HG13 H 8.992 2.988 2.365 1.00 . A A . 15 ILE HG13 1 1 18 4295 1 1 15 ILE HG21 H 7.035 4.266 1.845 1.00 . A A . 15 ILE HG21 1 1 18 4296 1 1 15 ILE HG22 H 5.856 3.420 0.815 1.00 . A A . 15 ILE HG22 1 1 18 4297 1 1 15 ILE HG23 H 5.556 3.584 2.562 1.00 . A A . 15 ILE HG23 1 1 18 4298 1 1 15 ILE N N 6.728 -0.199 2.832 1.00 . A A . 15 ILE N 1 1 18 4299 1 1 15 ILE O O 4.767 0.519 0.821 1.00 . A A . 15 ILE O 1 1 18 4300 1 1 16 CYS C C 2.309 2.739 0.887 1.00 . A A . 16 CYS C 1 1 18 4301 1 1 16 CYS CA C 2.429 1.577 1.868 1.00 . A A . 16 CYS CA 1 1 18 4302 1 1 16 CYS CB C 1.317 1.662 2.915 1.00 . A A . 16 CYS CB 1 1 18 4303 1 1 16 CYS H H 3.831 1.998 3.441 1.00 . A A . 16 CYS H 1 1 18 4304 1 1 16 CYS HA H 2.329 0.641 1.319 1.00 . A A . 16 CYS HA 1 1 18 4305 1 1 16 CYS HB3 H 1.320 2.658 3.358 1.00 . A A . 16 CYS HB3 1 1 18 4306 1 1 16 CYS N N 3.735 1.578 2.517 1.00 . A A . 16 CYS N 1 1 18 4307 1 1 16 CYS O O 1.390 3.552 0.981 1.00 . A A . 16 CYS O 1 1 18 4308 1 1 16 CYS SG S -0.352 1.350 2.254 1.00 . A A . 16 CYS SG 1 1 18 4309 1 1 17 GLY C C 2.058 3.756 -2.001 1.00 . A A . 17 GLY C 1 1 18 4310 1 1 17 GLY CA C 3.225 3.875 -1.041 1.00 . A A . 17 GLY CA 1 1 18 4311 1 1 17 GLY H H 3.983 2.107 -0.083 1.00 . A A . 17 GLY H 1 1 18 4312 1 1 17 GLY HA2 H 3.160 4.832 -0.524 1.00 . A A . 17 GLY HA2 1 1 18 4313 1 1 17 GLY HA3 H 4.154 3.842 -1.610 1.00 . A A . 17 GLY HA3 1 1 18 4314 1 1 17 GLY N N 3.245 2.810 -0.055 1.00 . A A . 17 GLY N 1 1 18 4315 1 1 17 GLY O O 1.500 4.761 -2.439 1.00 . A A . 17 GLY O 1 1 18 4316 1 1 18 GLY C C -0.679 3.020 -2.816 1.00 . A A . 18 GLY C 1 1 18 4317 1 1 18 GLY CA C 0.583 2.298 -3.244 1.00 . A A . 18 GLY CA 1 1 18 4318 1 1 18 GLY H H 2.190 1.727 -1.935 1.00 . A A . 18 GLY H 1 1 18 4319 1 1 18 GLY HA2 H 0.870 2.645 -4.237 1.00 . A A . 18 GLY HA2 1 1 18 4320 1 1 18 GLY HA3 H 0.377 1.229 -3.290 1.00 . A A . 18 GLY HA3 1 1 18 4321 1 1 18 GLY N N 1.689 2.522 -2.330 1.00 . A A . 18 GLY N 1 1 18 4322 1 1 18 GLY O O -1.524 3.351 -3.647 1.00 . A A . 18 GLY O 1 1 18 4323 1 1 19 ALA C C -2.168 5.310 -1.651 1.00 . A A . 19 ALA C 1 1 18 4324 1 1 19 ALA CA C -1.973 3.955 -0.980 1.00 . A A . 19 ALA CA 1 1 18 4325 1 1 19 ALA CB C -1.841 4.123 0.526 1.00 . A A . 19 ALA CB 1 1 18 4326 1 1 19 ALA H H -0.069 2.967 -0.878 1.00 . A A . 19 ALA H 1 1 18 4327 1 1 19 ALA HA H -2.849 3.336 -1.176 1.00 . A A . 19 ALA HA 1 1 18 4328 1 1 19 ALA HB1 H -0.889 3.706 0.855 1.00 . A A . 19 ALA HB1 1 1 18 4329 1 1 19 ALA HB2 H -1.882 5.183 0.778 1.00 . A A . 19 ALA HB2 1 1 18 4330 1 1 19 ALA HB3 H -2.658 3.599 1.023 1.00 . A A . 19 ALA HB3 1 1 18 4331 1 1 19 ALA N N -0.806 3.266 -1.516 1.00 . A A . 19 ALA N 1 1 18 4332 1 1 19 ALA O O -3.295 5.775 -1.819 1.00 . A A . 19 ALA O 1 1 18 4333 1 1 20 ALA C C -2.000 7.204 -3.921 1.00 . A A . 20 ALA C 1 1 18 4334 1 1 20 ALA CA C -1.110 7.243 -2.684 1.00 . A A . 20 ALA CA 1 1 18 4335 1 1 20 ALA CB C 0.293 7.701 -3.054 1.00 . A A . 20 ALA CB 1 1 18 4336 1 1 20 ALA H H -0.156 5.502 -1.862 1.00 . A A . 20 ALA H 1 1 18 4337 1 1 20 ALA HA H -1.523 7.960 -1.974 1.00 . A A . 20 ALA HA 1 1 18 4338 1 1 20 ALA HB1 H 0.815 8.034 -2.158 1.00 . A A . 20 ALA HB1 1 1 18 4339 1 1 20 ALA HB2 H 0.838 6.871 -3.505 1.00 . A A . 20 ALA HB2 1 1 18 4340 1 1 20 ALA HB3 H 0.231 8.524 -3.766 1.00 . A A . 20 ALA HB3 1 1 18 4341 1 1 20 ALA N N -1.061 5.941 -2.030 1.00 . A A . 20 ALA N 1 1 18 4342 1 1 20 ALA O O -2.773 8.127 -4.172 1.00 . A A . 20 ALA O 1 1 18 4343 1 1 21 GLY C C -4.147 5.732 -5.594 1.00 . A A . 21 GLY C 1 1 18 4344 1 1 21 GLY CA C -2.684 5.988 -5.897 1.00 . A A . 21 GLY CA 1 1 18 4345 1 1 21 GLY H H -1.224 5.394 -4.434 1.00 . A A . 21 GLY H 1 1 18 4346 1 1 21 GLY HA2 H -2.599 6.902 -6.484 1.00 . A A . 21 GLY HA2 1 1 18 4347 1 1 21 GLY HA3 H -2.295 5.155 -6.483 1.00 . A A . 21 GLY HA3 1 1 18 4348 1 1 21 GLY N N -1.885 6.127 -4.694 1.00 . A A . 21 GLY N 1 1 18 4349 1 1 21 GLY O O -5.028 6.347 -6.193 1.00 . A A . 21 GLY O 1 1 18 4350 1 1 22 GLY C C -5.861 3.712 -3.007 1.00 . A A . 22 GLY C 1 1 18 4351 1 1 22 GLY CA C -5.774 4.498 -4.300 1.00 . A A . 22 GLY CA 1 1 18 4352 1 1 22 GLY H H -3.632 4.341 -4.201 1.00 . A A . 22 GLY H 1 1 18 4353 1 1 22 GLY HA2 H -6.336 5.425 -4.187 1.00 . A A . 22 GLY HA2 1 1 18 4354 1 1 22 GLY HA3 H -6.222 3.908 -5.100 1.00 . A A . 22 GLY HA3 1 1 18 4355 1 1 22 GLY N N -4.406 4.819 -4.663 1.00 . A A . 22 GLY N 1 1 18 4356 1 1 22 GLY O O -5.271 4.097 -1.997 1.00 . A A . 22 GLY O 1 1 19 4357 1 1 1 GLY C C -6.155 0.678 -1.437 1.00 . A A . 1 GLY C 1 1 19 4358 1 1 1 GLY CA C -7.061 1.869 -1.674 1.00 . A A . 1 GLY CA 1 1 19 4359 1 1 1 GLY H1 H -6.788 1.914 -3.618 1.00 . A A . 1 GLY H1 1 1 19 4360 1 1 1 GLY HA2 H -6.989 2.543 -0.821 1.00 . A A . 1 GLY HA2 1 1 19 4361 1 1 1 GLY HA3 H -8.089 1.518 -1.761 1.00 . A A . 1 GLY HA3 1 1 19 4362 1 1 1 GLY N N -6.713 2.600 -2.880 1.00 . A A . 1 GLY N 1 1 19 4363 1 1 1 GLY O O -6.626 -0.427 -1.165 1.00 . A A . 1 GLY O 1 1 19 4364 1 1 2 CYS C C -3.764 -0.527 0.139 1.00 . A A . 2 CYS C 1 1 19 4365 1 1 2 CYS CA C -3.872 -0.164 -1.338 1.00 . A A . 2 CYS CA 1 1 19 4366 1 1 2 CYS CB C -2.504 0.263 -1.872 1.00 . A A . 2 CYS CB 1 1 19 4367 1 1 2 CYS H H -4.520 1.838 -1.769 1.00 . A A . 2 CYS H 1 1 19 4368 1 1 2 CYS HA H -4.212 -1.040 -1.892 1.00 . A A . 2 CYS HA 1 1 19 4369 1 1 2 CYS HB3 H -1.726 -0.179 -1.249 1.00 . A A . 2 CYS HB3 1 1 19 4370 1 1 2 CYS N N -4.848 0.900 -1.541 1.00 . A A . 2 CYS N 1 1 19 4371 1 1 2 CYS O O -3.736 -1.704 0.501 1.00 . A A . 2 CYS O 1 1 19 4372 1 1 2 CYS SG S -2.188 -0.241 -3.594 1.00 . A A . 2 CYS SG 1 1 19 4373 1 1 3 CYS C C -4.790 -0.511 2.953 1.00 . A A . 3 CYS C 1 1 19 4374 1 1 3 CYS CA C -3.595 0.282 2.430 1.00 . A A . 3 CYS CA 1 1 19 4375 1 1 3 CYS CB C -3.501 1.624 3.157 1.00 . A A . 3 CYS CB 1 1 19 4376 1 1 3 CYS H H -3.729 1.445 0.628 1.00 . A A . 3 CYS H 1 1 19 4377 1 1 3 CYS HA H -2.687 -0.289 2.619 1.00 . A A . 3 CYS HA 1 1 19 4378 1 1 3 CYS HB3 H -3.957 1.528 4.142 1.00 . A A . 3 CYS HB3 1 1 19 4379 1 1 3 CYS N N -3.702 0.492 0.990 1.00 . A A . 3 CYS N 1 1 19 4380 1 1 3 CYS O O -4.660 -1.309 3.881 1.00 . A A . 3 CYS O 1 1 19 4381 1 1 3 CYS SG S -1.798 2.226 3.389 1.00 . A A . 3 CYS SG 1 1 19 4382 1 1 4 SER C C -7.168 -2.418 2.271 1.00 . A A . 4 SER C 1 1 19 4383 1 1 4 SER CA C -7.172 -0.972 2.758 1.00 . A A . 4 SER CA 1 1 19 4384 1 1 4 SER CB C -8.402 -0.242 2.215 1.00 . A A . 4 SER CB 1 1 19 4385 1 1 4 SER H H -5.995 0.392 1.588 1.00 . A A . 4 SER H 1 1 19 4386 1 1 4 SER HA H -7.210 -0.970 3.847 1.00 . A A . 4 SER HA 1 1 19 4387 1 1 4 SER HB3 H -8.549 -0.512 1.170 1.00 . A A . 4 SER HB3 1 1 19 4388 1 1 4 SER HG H -10.337 -0.109 2.579 1.00 . A A . 4 SER HG 1 1 19 4389 1 1 4 SER N N -5.954 -0.283 2.351 1.00 . A A . 4 SER N 1 1 19 4390 1 1 4 SER O O -7.691 -3.311 2.937 1.00 . A A . 4 SER O 1 1 19 4391 1 1 4 SER OG O -9.566 -0.590 2.945 1.00 . A A . 4 SER OG 1 1 19 4392 1 1 5 ASP C C -5.288 -4.732 1.056 1.00 . A A . 5 ASP C 1 1 19 4393 1 1 5 ASP CA C -6.501 -3.976 0.524 1.00 . A A . 5 ASP CA 1 1 19 4394 1 1 5 ASP CB C -6.435 -3.891 -1.002 1.00 . A A . 5 ASP CB 1 1 19 4395 1 1 5 ASP CG C -7.079 -5.087 -1.676 1.00 . A A . 5 ASP CG 1 1 19 4396 1 1 5 ASP H H -6.160 -1.855 0.598 1.00 . A A . 5 ASP H 1 1 19 4397 1 1 5 ASP HA H -7.404 -4.516 0.810 1.00 . A A . 5 ASP HA 1 1 19 4398 1 1 5 ASP HB3 H -5.392 -3.840 -1.312 1.00 . A A . 5 ASP HB3 1 1 19 4399 1 1 5 ASP N N -6.576 -2.639 1.102 1.00 . A A . 5 ASP N 1 1 19 4400 1 1 5 ASP O O -4.198 -4.180 1.207 1.00 . A A . 5 ASP O 1 1 19 4401 1 1 5 ASP OD1 O -6.337 -5.977 -2.142 1.00 . A A . 5 ASP OD1 1 1 19 4402 1 1 5 ASP OD2 O -8.325 -5.133 -1.737 1.00 . A A . 5 ASP OD2 1 1 19 4403 1 1 6 PRO C C -3.343 -7.181 0.824 1.00 . A A . 6 PRO C 1 1 19 4404 1 1 6 PRO CA C -4.413 -6.887 1.871 1.00 . A A . 6 PRO CA 1 1 19 4405 1 1 6 PRO CB C -5.149 -8.171 2.258 1.00 . A A . 6 PRO CB 1 1 19 4406 1 1 6 PRO CD C -6.752 -6.751 1.195 1.00 . A A . 6 PRO CD 1 1 19 4407 1 1 6 PRO CG C -6.360 -8.190 1.389 1.00 . A A . 6 PRO CG 1 1 19 4408 1 1 6 PRO HA H -3.945 -6.454 2.755 1.00 . A A . 6 PRO HA 1 1 19 4409 1 1 6 PRO HB3 H -5.416 -8.137 3.314 1.00 . A A . 6 PRO HB3 1 1 19 4410 1 1 6 PRO HD3 H -7.468 -6.445 1.958 1.00 . A A . 6 PRO HD3 1 1 19 4411 1 1 6 PRO HG3 H -7.163 -8.736 1.885 1.00 . A A . 6 PRO HG3 1 1 19 4412 1 1 6 PRO N N -5.479 -6.027 1.349 1.00 . A A . 6 PRO N 1 1 19 4413 1 1 6 PRO O O -2.189 -7.446 1.161 1.00 . A A . 6 PRO O 1 1 19 4414 1 1 7 ARG C C -1.632 -6.420 -1.502 1.00 . A A . 7 ARG C 1 1 19 4415 1 1 7 ARG CA C -2.807 -7.394 -1.540 1.00 . A A . 7 ARG CA 1 1 19 4416 1 1 7 ARG CB C -3.529 -7.287 -2.884 1.00 . A A . 7 ARG CB 1 1 19 4417 1 1 7 ARG CD C -1.728 -7.908 -4.522 1.00 . A A . 7 ARG CD 1 1 19 4418 1 1 7 ARG CG C -3.061 -8.307 -3.909 1.00 . A A . 7 ARG CG 1 1 19 4419 1 1 7 ARG CZ C 0.442 -8.979 -4.958 1.00 . A A . 7 ARG CZ 1 1 19 4420 1 1 7 ARG H H -4.704 -6.906 -0.658 1.00 . A A . 7 ARG H 1 1 19 4421 1 1 7 ARG HA H -2.427 -8.409 -1.421 1.00 . A A . 7 ARG HA 1 1 19 4422 1 1 7 ARG HB3 H -3.364 -6.291 -3.293 1.00 . A A . 7 ARG HB3 1 1 19 4423 1 1 7 ARG HD3 H -1.420 -6.952 -4.098 1.00 . A A . 7 ARG HD3 1 1 19 4424 1 1 7 ARG HE H -0.848 -9.565 -3.507 1.00 . A A . 7 ARG HE 1 1 19 4425 1 1 7 ARG HG3 H -3.807 -8.382 -4.699 1.00 . A A . 7 ARG HG3 1 1 19 4426 1 1 7 ARG HH11 H -0.012 -7.411 -6.175 1.00 . A A . 7 ARG HH11 1 1 19 4427 1 1 7 ARG HH12 H 1.546 -8.189 -6.477 1.00 . A A . 7 ARG HH12 1 1 19 4428 1 1 7 ARG HH21 H 1.163 -10.566 -3.901 1.00 . A A . 7 ARG HH21 1 1 19 4429 1 1 7 ARG HH22 H 2.208 -9.969 -5.195 1.00 . A A . 7 ARG HH22 1 1 19 4430 1 1 7 ARG N N -3.733 -7.131 -0.445 1.00 . A A . 7 ARG N 1 1 19 4431 1 1 7 ARG NE N -0.688 -8.900 -4.264 1.00 . A A . 7 ARG NE 1 1 19 4432 1 1 7 ARG NH1 N 0.677 -8.128 -5.947 1.00 . A A . 7 ARG NH1 1 1 19 4433 1 1 7 ARG NH2 N 1.340 -9.910 -4.661 1.00 . A A . 7 ARG NH2 1 1 19 4434 1 1 7 ARG O O -0.471 -6.831 -1.489 1.00 . A A . 7 ARG O 1 1 19 4435 1 1 8 CYS C C -0.191 -4.091 -0.110 1.00 . A A . 8 CYS C 1 1 19 4436 1 1 8 CYS CA C -0.913 -4.096 -1.454 1.00 . A A . 8 CYS CA 1 1 19 4437 1 1 8 CYS CB C -1.533 -2.721 -1.717 1.00 . A A . 8 CYS CB 1 1 19 4438 1 1 8 CYS H H -2.923 -4.852 -1.501 1.00 . A A . 8 CYS H 1 1 19 4439 1 1 8 CYS HA H -0.191 -4.316 -2.240 1.00 . A A . 8 CYS HA 1 1 19 4440 1 1 8 CYS HB3 H -0.912 -1.956 -1.251 1.00 . A A . 8 CYS HB3 1 1 19 4441 1 1 8 CYS N N -1.941 -5.128 -1.488 1.00 . A A . 8 CYS N 1 1 19 4442 1 1 8 CYS O O 0.986 -3.741 -0.027 1.00 . A A . 8 CYS O 1 1 19 4443 1 1 8 CYS SG S -1.693 -2.305 -3.484 1.00 . A A . 8 CYS SG 1 1 19 4444 1 1 9 ASN C C 0.724 -5.617 2.389 1.00 . A A . 9 ASN C 1 1 19 4445 1 1 9 ASN CA C -0.333 -4.521 2.282 1.00 . A A . 9 ASN CA 1 1 19 4446 1 1 9 ASN CB C -1.432 -4.754 3.321 1.00 . A A . 9 ASN CB 1 1 19 4447 1 1 9 ASN CG C -1.308 -3.823 4.512 1.00 . A A . 9 ASN CG 1 1 19 4448 1 1 9 ASN H H -1.878 -4.758 0.806 1.00 . A A . 9 ASN H 1 1 19 4449 1 1 9 ASN HA H 0.138 -3.557 2.474 1.00 . A A . 9 ASN HA 1 1 19 4450 1 1 9 ASN HB3 H -1.375 -5.782 3.678 1.00 . A A . 9 ASN HB3 1 1 19 4451 1 1 9 ASN HD21 H -1.344 -2.228 3.271 1.00 . A A . 9 ASN HD21 1 1 19 4452 1 1 9 ASN HD22 H -1.197 -1.873 5.028 1.00 . A A . 9 ASN HD22 1 1 19 4453 1 1 9 ASN N N -0.906 -4.481 0.941 1.00 . A A . 9 ASN N 1 1 19 4454 1 1 9 ASN ND2 N -1.282 -2.522 4.245 1.00 . A A . 9 ASN ND2 1 1 19 4455 1 1 9 ASN O O 1.830 -5.381 2.875 1.00 . A A . 9 ASN O 1 1 19 4456 1 1 9 ASN OD1 O -1.239 -4.269 5.657 1.00 . A A . 9 ASN OD1 1 1 19 4457 1 1 10 TYR C C 2.370 -7.817 0.907 1.00 . A A . 10 TYR C 1 1 19 4458 1 1 10 TYR CA C 1.292 -7.947 1.979 1.00 . A A . 10 TYR CA 1 1 19 4459 1 1 10 TYR CB C 0.526 -9.258 1.792 1.00 . A A . 10 TYR CB 1 1 19 4460 1 1 10 TYR CD1 C 2.196 -11.145 1.621 1.00 . A A . 10 TYR CD1 1 1 19 4461 1 1 10 TYR CD2 C 0.959 -10.918 3.646 1.00 . A A . 10 TYR CD2 1 1 19 4462 1 1 10 TYR CE1 C 2.850 -12.246 2.138 1.00 . A A . 10 TYR CE1 1 1 19 4463 1 1 10 TYR CE2 C 1.610 -12.017 4.172 1.00 . A A . 10 TYR CE2 1 1 19 4464 1 1 10 TYR CG C 1.241 -10.462 2.364 1.00 . A A . 10 TYR CG 1 1 19 4465 1 1 10 TYR CZ C 2.555 -12.678 3.414 1.00 . A A . 10 TYR CZ 1 1 19 4466 1 1 10 TYR H H -0.559 -6.946 1.541 1.00 . A A . 10 TYR H 1 1 19 4467 1 1 10 TYR HA H 1.768 -7.951 2.960 1.00 . A A . 10 TYR HA 1 1 19 4468 1 1 10 TYR HB3 H 0.373 -9.433 0.727 1.00 . A A . 10 TYR HB3 1 1 19 4469 1 1 10 TYR HD1 H 2.426 -10.804 0.622 1.00 . A A . 10 TYR HD1 1 1 19 4470 1 1 10 TYR HD2 H 0.219 -10.399 4.236 1.00 . A A . 10 TYR HD2 1 1 19 4471 1 1 10 TYR HE1 H 3.590 -12.764 1.546 1.00 . A A . 10 TYR HE1 1 1 19 4472 1 1 10 TYR HE2 H 1.377 -12.356 5.170 1.00 . A A . 10 TYR HE2 1 1 19 4473 1 1 10 TYR HH H 3.064 -13.806 4.904 1.00 . A A . 10 TYR HH 1 1 19 4474 1 1 10 TYR N N 0.374 -6.815 1.933 1.00 . A A . 10 TYR N 1 1 19 4475 1 1 10 TYR O O 3.502 -8.266 1.093 1.00 . A A . 10 TYR O 1 1 19 4476 1 1 10 TYR OH O 3.203 -13.774 3.934 1.00 . A A . 10 TYR OH 1 1 19 4477 1 1 11 ALA C C 3.929 -5.885 -1.011 1.00 . A A . 11 ALA C 1 1 19 4478 1 1 11 ALA CA C 2.947 -7.011 -1.314 1.00 . A A . 11 ALA CA 1 1 19 4479 1 1 11 ALA CB C 2.194 -6.723 -2.604 1.00 . A A . 11 ALA CB 1 1 19 4480 1 1 11 ALA H H 1.058 -6.853 -0.306 1.00 . A A . 11 ALA H 1 1 19 4481 1 1 11 ALA HA H 3.504 -7.939 -1.448 1.00 . A A . 11 ALA HA 1 1 19 4482 1 1 11 ALA HB1 H 1.797 -5.709 -2.573 1.00 . A A . 11 ALA HB1 1 1 19 4483 1 1 11 ALA HB2 H 2.873 -6.824 -3.451 1.00 . A A . 11 ALA HB2 1 1 19 4484 1 1 11 ALA HB3 H 1.372 -7.432 -2.710 1.00 . A A . 11 ALA HB3 1 1 19 4485 1 1 11 ALA N N 2.012 -7.202 -0.213 1.00 . A A . 11 ALA N 1 1 19 4486 1 1 11 ALA O O 5.122 -5.992 -1.300 1.00 . A A . 11 ALA O 1 1 19 4487 1 1 12 HIS C C 4.208 -3.381 1.417 1.00 . A A . 12 HIS C 1 1 19 4488 1 1 12 HIS CA C 4.254 -3.658 -0.082 1.00 . A A . 12 HIS CA 1 1 19 4489 1 1 12 HIS CB C 3.814 -2.369 -0.778 1.00 . A A . 12 HIS CB 1 1 19 4490 1 1 12 HIS CD2 C 2.005 -2.014 -2.602 1.00 . A A . 12 HIS CD2 1 1 19 4491 1 1 12 HIS CE1 C 2.704 -3.512 -4.043 1.00 . A A . 12 HIS CE1 1 1 19 4492 1 1 12 HIS CG C 3.106 -2.601 -2.077 1.00 . A A . 12 HIS CG 1 1 19 4493 1 1 12 HIS H H 2.425 -4.777 -0.211 1.00 . A A . 12 HIS H 1 1 19 4494 1 1 12 HIS HA H 5.281 -3.892 -0.365 1.00 . A A . 12 HIS HA 1 1 19 4495 1 1 12 HIS HB3 H 4.692 -1.755 -0.981 1.00 . A A . 12 HIS HB3 1 1 19 4496 1 1 12 HIS HD2 H 1.415 -1.233 -2.146 1.00 . A A . 12 HIS HD2 1 1 19 4497 1 1 12 HIS HE1 H 2.781 -4.135 -4.922 1.00 . A A . 12 HIS HE1 1 1 19 4498 1 1 12 HIS HE2 H 1.013 -2.365 -4.459 1.00 . A A . 12 HIS HE2 1 1 19 4499 1 1 12 HIS N N 3.421 -4.805 -0.425 1.00 . A A . 12 HIS N 1 1 19 4500 1 1 12 HIS ND1 N 3.520 -3.535 -3.004 1.00 . A A . 12 HIS ND1 1 1 19 4501 1 1 12 HIS NE2 N 1.776 -2.598 -3.824 1.00 . A A . 12 HIS NE2 1 1 19 4502 1 1 12 HIS O O 3.732 -2.340 1.868 1.00 . A A . 12 HIS O 1 1 19 4503 1 1 13 PRO C C 5.732 -3.162 4.150 1.00 . A A . 13 PRO C 1 1 19 4504 1 1 13 PRO CA C 4.743 -4.220 3.672 1.00 . A A . 13 PRO CA 1 1 19 4505 1 1 13 PRO CB C 5.186 -5.611 4.131 1.00 . A A . 13 PRO CB 1 1 19 4506 1 1 13 PRO CD C 5.299 -5.605 1.743 1.00 . A A . 13 PRO CD 1 1 19 4507 1 1 13 PRO CG C 5.949 -6.165 2.978 1.00 . A A . 13 PRO CG 1 1 19 4508 1 1 13 PRO HA H 3.754 -4.000 4.075 1.00 . A A . 13 PRO HA 1 1 19 4509 1 1 13 PRO HB3 H 4.310 -6.219 4.357 1.00 . A A . 13 PRO HB3 1 1 19 4510 1 1 13 PRO HD3 H 4.524 -6.280 1.380 1.00 . A A . 13 PRO HD3 1 1 19 4511 1 1 13 PRO HG3 H 5.883 -7.253 2.979 1.00 . A A . 13 PRO HG3 1 1 19 4512 1 1 13 PRO N N 4.715 -4.337 2.210 1.00 . A A . 13 PRO N 1 1 19 4513 1 1 13 PRO O O 5.459 -2.430 5.101 1.00 . A A . 13 PRO O 1 1 19 4514 1 1 14 ALA C C 7.347 -0.697 3.832 1.00 . A A . 14 ALA C 1 1 19 4515 1 1 14 ALA CA C 7.906 -2.116 3.839 1.00 . A A . 14 ALA CA 1 1 19 4516 1 1 14 ALA CB C 9.087 -2.226 2.887 1.00 . A A . 14 ALA CB 1 1 19 4517 1 1 14 ALA H H 7.044 -3.723 2.703 1.00 . A A . 14 ALA H 1 1 19 4518 1 1 14 ALA HA H 8.259 -2.352 4.843 1.00 . A A . 14 ALA HA 1 1 19 4519 1 1 14 ALA HB1 H 9.673 -3.111 3.135 1.00 . A A . 14 ALA HB1 1 1 19 4520 1 1 14 ALA HB2 H 8.722 -2.305 1.863 1.00 . A A . 14 ALA HB2 1 1 19 4521 1 1 14 ALA HB3 H 9.713 -1.338 2.981 1.00 . A A . 14 ALA HB3 1 1 19 4522 1 1 14 ALA N N 6.879 -3.087 3.483 1.00 . A A . 14 ALA N 1 1 19 4523 1 1 14 ALA O O 7.572 0.073 4.766 1.00 . A A . 14 ALA O 1 1 19 4524 1 1 15 ILE C C 4.712 0.912 1.882 1.00 . A A . 15 ILE C 1 1 19 4525 1 1 15 ILE CA C 6.031 0.968 2.645 1.00 . A A . 15 ILE CA 1 1 19 4526 1 1 15 ILE CB C 6.984 1.943 1.927 1.00 . A A . 15 ILE CB 1 1 19 4527 1 1 15 ILE CD1 C 9.387 2.780 1.875 1.00 . A A . 15 ILE CD1 1 1 19 4528 1 1 15 ILE CG1 C 8.375 1.889 2.562 1.00 . A A . 15 ILE CG1 1 1 19 4529 1 1 15 ILE CG2 C 6.429 3.358 1.974 1.00 . A A . 15 ILE CG2 1 1 19 4530 1 1 15 ILE H H 6.473 -1.043 2.031 1.00 . A A . 15 ILE H 1 1 19 4531 1 1 15 ILE HA H 5.842 1.350 3.649 1.00 . A A . 15 ILE HA 1 1 19 4532 1 1 15 ILE HB H 7.057 1.640 0.883 1.00 . A A . 15 ILE HB 1 1 19 4533 1 1 15 ILE HD11 H 10.166 2.165 1.426 1.00 . A A . 15 ILE HD11 1 1 19 4534 1 1 15 ILE HD12 H 8.891 3.362 1.098 1.00 . A A . 15 ILE HD12 1 1 19 4535 1 1 15 ILE HD13 H 9.833 3.453 2.606 1.00 . A A . 15 ILE HD13 1 1 19 4536 1 1 15 ILE HG13 H 8.746 0.865 2.520 1.00 . A A . 15 ILE HG13 1 1 19 4537 1 1 15 ILE HG21 H 5.358 3.320 2.178 1.00 . A A . 15 ILE HG21 1 1 19 4538 1 1 15 ILE HG22 H 6.929 3.919 2.762 1.00 . A A . 15 ILE HG22 1 1 19 4539 1 1 15 ILE HG23 H 6.598 3.847 1.015 1.00 . A A . 15 ILE HG23 1 1 19 4540 1 1 15 ILE N N 6.621 -0.358 2.773 1.00 . A A . 15 ILE N 1 1 19 4541 1 1 15 ILE O O 4.640 0.362 0.783 1.00 . A A . 15 ILE O 1 1 19 4542 1 1 16 CYS C C 2.230 2.657 0.861 1.00 . A A . 16 CYS C 1 1 19 4543 1 1 16 CYS CA C 2.350 1.501 1.851 1.00 . A A . 16 CYS CA 1 1 19 4544 1 1 16 CYS CB C 1.260 1.615 2.918 1.00 . A A . 16 CYS CB 1 1 19 4545 1 1 16 CYS H H 3.791 1.923 3.386 1.00 . A A . 16 CYS H 1 1 19 4546 1 1 16 CYS HA H 2.222 0.563 1.311 1.00 . A A . 16 CYS HA 1 1 19 4547 1 1 16 CYS HB3 H 1.284 2.617 3.345 1.00 . A A . 16 CYS HB3 1 1 19 4548 1 1 16 CYS N N 3.668 1.485 2.474 1.00 . A A . 16 CYS N 1 1 19 4549 1 1 16 CYS O O 1.320 3.479 0.958 1.00 . A A . 16 CYS O 1 1 19 4550 1 1 16 CYS SG S -0.426 1.317 2.294 1.00 . A A . 16 CYS SG 1 1 19 4551 1 1 17 GLY C C 1.951 3.664 -2.021 1.00 . A A . 17 GLY C 1 1 19 4552 1 1 17 GLY CA C 3.138 3.770 -1.084 1.00 . A A . 17 GLY CA 1 1 19 4553 1 1 17 GLY H H 3.888 2.001 -0.119 1.00 . A A . 17 GLY H 1 1 19 4554 1 1 17 GLY HA2 H 3.100 4.732 -0.573 1.00 . A A . 17 GLY HA2 1 1 19 4555 1 1 17 GLY HA3 H 4.056 3.717 -1.671 1.00 . A A . 17 GLY HA3 1 1 19 4556 1 1 17 GLY N N 3.158 2.713 -0.091 1.00 . A A . 17 GLY N 1 1 19 4557 1 1 17 GLY O O 1.405 4.676 -2.459 1.00 . A A . 17 GLY O 1 1 19 4558 1 1 18 GLY C C -0.812 2.974 -2.779 1.00 . A A . 18 GLY C 1 1 19 4559 1 1 18 GLY CA C 0.427 2.222 -3.223 1.00 . A A . 18 GLY CA 1 1 19 4560 1 1 18 GLY H H 2.047 1.633 -1.938 1.00 . A A . 18 GLY H 1 1 19 4561 1 1 18 GLY HA2 H 0.702 2.554 -4.224 1.00 . A A . 18 GLY HA2 1 1 19 4562 1 1 18 GLY HA3 H 0.199 1.157 -3.255 1.00 . A A . 18 GLY HA3 1 1 19 4563 1 1 18 GLY N N 1.552 2.434 -2.332 1.00 . A A . 18 GLY N 1 1 19 4564 1 1 18 GLY O O -1.666 3.314 -3.598 1.00 . A A . 18 GLY O 1 1 19 4565 1 1 19 ALA C C -2.235 5.302 -1.607 1.00 . A A . 19 ALA C 1 1 19 4566 1 1 19 ALA CA C -2.057 3.948 -0.929 1.00 . A A . 19 ALA CA 1 1 19 4567 1 1 19 ALA CB C -1.895 4.125 0.574 1.00 . A A . 19 ALA CB 1 1 19 4568 1 1 19 ALA H H -0.170 2.923 -0.852 1.00 . A A . 19 ALA H 1 1 19 4569 1 1 19 ALA HA H -2.948 3.344 -1.105 1.00 . A A . 19 ALA HA 1 1 19 4570 1 1 19 ALA HB1 H -1.887 5.188 0.815 1.00 . A A . 19 ALA HB1 1 1 19 4571 1 1 19 ALA HB2 H -2.727 3.642 1.087 1.00 . A A . 19 ALA HB2 1 1 19 4572 1 1 19 ALA HB3 H -0.957 3.672 0.894 1.00 . A A . 19 ALA HB3 1 1 19 4573 1 1 19 ALA N N -0.913 3.232 -1.480 1.00 . A A . 19 ALA N 1 1 19 4574 1 1 19 ALA O O -3.356 5.789 -1.756 1.00 . A A . 19 ALA O 1 1 19 4575 1 1 20 ALA C C -2.074 7.173 -3.896 1.00 . A A . 20 ALA C 1 1 19 4576 1 1 20 ALA CA C -1.157 7.203 -2.677 1.00 . A A . 20 ALA CA 1 1 19 4577 1 1 20 ALA CB C 0.247 7.627 -3.081 1.00 . A A . 20 ALA CB 1 1 19 4578 1 1 20 ALA H H -0.225 5.448 -1.860 1.00 . A A . 20 ALA H 1 1 19 4579 1 1 20 ALA HA H -1.540 7.935 -1.966 1.00 . A A . 20 ALA HA 1 1 19 4580 1 1 20 ALA HB1 H 0.896 7.608 -2.205 1.00 . A A . 20 ALA HB1 1 1 19 4581 1 1 20 ALA HB2 H 0.632 6.939 -3.834 1.00 . A A . 20 ALA HB2 1 1 19 4582 1 1 20 ALA HB3 H 0.218 8.636 -3.491 1.00 . A A . 20 ALA HB3 1 1 19 4583 1 1 20 ALA N N -1.124 5.906 -2.014 1.00 . A A . 20 ALA N 1 1 19 4584 1 1 20 ALA O O -2.862 8.092 -4.116 1.00 . A A . 20 ALA O 1 1 19 4585 1 1 21 GLY C C -4.242 5.705 -5.544 1.00 . A A . 21 GLY C 1 1 19 4586 1 1 21 GLY CA C -2.788 5.981 -5.875 1.00 . A A . 21 GLY CA 1 1 19 4587 1 1 21 GLY H H -1.291 5.379 -4.454 1.00 . A A . 21 GLY H 1 1 19 4588 1 1 21 GLY HA2 H -2.726 6.906 -6.449 1.00 . A A . 21 GLY HA2 1 1 19 4589 1 1 21 GLY HA3 H -2.404 5.162 -6.482 1.00 . A A . 21 GLY HA3 1 1 19 4590 1 1 21 GLY N N -1.963 6.110 -4.687 1.00 . A A . 21 GLY N 1 1 19 4591 1 1 21 GLY O O -5.143 6.298 -6.135 1.00 . A A . 21 GLY O 1 1 19 4592 1 1 22 GLY C C -5.875 3.643 -2.933 1.00 . A A . 22 GLY C 1 1 19 4593 1 1 22 GLY CA C -5.827 4.460 -4.208 1.00 . A A . 22 GLY CA 1 1 19 4594 1 1 22 GLY H H -3.681 4.340 -4.144 1.00 . A A . 22 GLY H 1 1 19 4595 1 1 22 GLY HA2 H -6.391 5.380 -4.060 1.00 . A A . 22 GLY HA2 1 1 19 4596 1 1 22 GLY HA3 H -6.289 3.886 -5.011 1.00 . A A . 22 GLY HA3 1 1 19 4597 1 1 22 GLY N N -4.470 4.799 -4.599 1.00 . A A . 22 GLY N 1 1 19 4598 1 1 22 GLY O O -5.116 3.894 -1.997 1.00 . A A . 22 GLY O 1 1 20 4599 1 1 1 GLY C C -5.888 0.655 -1.851 1.00 . A A . 1 GLY C 1 1 20 4600 1 1 1 GLY CA C -6.808 1.830 -2.121 1.00 . A A . 1 GLY CA 1 1 20 4601 1 1 1 GLY H1 H -6.367 1.964 -4.030 1.00 . A A . 1 GLY H1 1 1 20 4602 1 1 1 GLY HA2 H -6.832 2.469 -1.238 1.00 . A A . 1 GLY HA2 1 1 20 4603 1 1 1 GLY HA3 H -7.813 1.453 -2.312 1.00 . A A . 1 GLY HA3 1 1 20 4604 1 1 1 GLY N N -6.379 2.620 -3.261 1.00 . A A . 1 GLY N 1 1 20 4605 1 1 1 GLY O O -6.348 -0.469 -1.650 1.00 . A A . 1 GLY O 1 1 20 4606 1 1 2 CYS C C -3.592 -0.538 -0.131 1.00 . A A . 2 CYS C 1 1 20 4607 1 1 2 CYS CA C -3.597 -0.129 -1.602 1.00 . A A . 2 CYS CA 1 1 20 4608 1 1 2 CYS CB C -2.205 0.349 -2.015 1.00 . A A . 2 CYS CB 1 1 20 4609 1 1 2 CYS H H -4.267 1.868 -2.021 1.00 . A A . 2 CYS H 1 1 20 4610 1 1 2 CYS HA H -3.869 -0.996 -2.206 1.00 . A A . 2 CYS HA 1 1 20 4611 1 1 2 CYS HB3 H -1.464 -0.093 -1.349 1.00 . A A . 2 CYS HB3 1 1 20 4612 1 1 2 CYS N N -4.585 0.915 -1.847 1.00 . A A . 2 CYS N 1 1 20 4613 1 1 2 CYS O O -3.558 -1.725 0.194 1.00 . A A . 2 CYS O 1 1 20 4614 1 1 2 CYS SG S -1.745 -0.087 -3.723 1.00 . A A . 2 CYS SG 1 1 20 4615 1 1 3 CYS C C -4.831 -0.640 2.592 1.00 . A A . 3 CYS C 1 1 20 4616 1 1 3 CYS CA C -3.623 0.200 2.187 1.00 . A A . 3 CYS CA 1 1 20 4617 1 1 3 CYS CB C -3.624 1.520 2.961 1.00 . A A . 3 CYS CB 1 1 20 4618 1 1 3 CYS H H -3.652 1.418 0.418 1.00 . A A . 3 CYS H 1 1 20 4619 1 1 3 CYS HA H -2.715 -0.352 2.429 1.00 . A A . 3 CYS HA 1 1 20 4620 1 1 3 CYS HB3 H -4.151 1.379 3.904 1.00 . A A . 3 CYS HB3 1 1 20 4621 1 1 3 CYS N N -3.625 0.454 0.751 1.00 . A A . 3 CYS N 1 1 20 4622 1 1 3 CYS O O -4.750 -1.463 3.504 1.00 . A A . 3 CYS O 1 1 20 4623 1 1 3 CYS SG S -1.961 2.159 3.342 1.00 . A A . 3 CYS SG 1 1 20 4624 1 1 4 SER C C -7.087 -2.593 1.679 1.00 . A A . 4 SER C 1 1 20 4625 1 1 4 SER CA C -7.176 -1.161 2.198 1.00 . A A . 4 SER CA 1 1 20 4626 1 1 4 SER CB C -8.379 -0.454 1.573 1.00 . A A . 4 SER CB 1 1 20 4627 1 1 4 SER H H -5.951 0.270 1.163 1.00 . A A . 4 SER H 1 1 20 4628 1 1 4 SER HA H -7.302 -1.187 3.281 1.00 . A A . 4 SER HA 1 1 20 4629 1 1 4 SER HB3 H -8.556 -0.856 0.576 1.00 . A A . 4 SER HB3 1 1 20 4630 1 1 4 SER HG H -10.300 -0.182 1.934 1.00 . A A . 4 SER HG 1 1 20 4631 1 1 4 SER N N -5.950 -0.427 1.908 1.00 . A A . 4 SER N 1 1 20 4632 1 1 4 SER O O -7.632 -3.519 2.282 1.00 . A A . 4 SER O 1 1 20 4633 1 1 4 SER OG O -9.545 -0.645 2.354 1.00 . A A . 4 SER OG 1 1 20 4634 1 1 5 ASP C C -5.032 -4.811 0.554 1.00 . A A . 5 ASP C 1 1 20 4635 1 1 5 ASP CA C -6.233 -4.086 -0.043 1.00 . A A . 5 ASP CA 1 1 20 4636 1 1 5 ASP CB C -6.069 -3.963 -1.558 1.00 . A A . 5 ASP CB 1 1 20 4637 1 1 5 ASP CG C -6.622 -5.164 -2.300 1.00 . A A . 5 ASP CG 1 1 20 4638 1 1 5 ASP H H -5.967 -1.959 0.107 1.00 . A A . 5 ASP H 1 1 20 4639 1 1 5 ASP HA H -7.133 -4.664 0.170 1.00 . A A . 5 ASP HA 1 1 20 4640 1 1 5 ASP HB3 H -5.010 -3.868 -1.796 1.00 . A A . 5 ASP HB3 1 1 20 4641 1 1 5 ASP N N -6.396 -2.767 0.558 1.00 . A A . 5 ASP N 1 1 20 4642 1 1 5 ASP O O -3.976 -4.224 0.791 1.00 . A A . 5 ASP O 1 1 20 4643 1 1 5 ASP OD1 O -7.827 -5.454 -2.146 1.00 . A A . 5 ASP OD1 1 1 20 4644 1 1 5 ASP OD2 O -5.849 -5.814 -3.036 1.00 . A A . 5 ASP OD2 1 1 20 4645 1 1 6 PRO C C -2.985 -7.182 0.402 1.00 . A A . 6 PRO C 1 1 20 4646 1 1 6 PRO CA C -4.133 -6.953 1.379 1.00 . A A . 6 PRO CA 1 1 20 4647 1 1 6 PRO CB C -4.846 -8.272 1.687 1.00 . A A . 6 PRO CB 1 1 20 4648 1 1 6 PRO CD C -6.425 -6.885 0.549 1.00 . A A . 6 PRO CD 1 1 20 4649 1 1 6 PRO CG C -5.993 -8.312 0.738 1.00 . A A . 6 PRO CG 1 1 20 4650 1 1 6 PRO HA H -3.743 -6.524 2.302 1.00 . A A . 6 PRO HA 1 1 20 4651 1 1 6 PRO HB3 H -5.185 -8.273 2.723 1.00 . A A . 6 PRO HB3 1 1 20 4652 1 1 6 PRO HD3 H -7.202 -6.624 1.267 1.00 . A A . 6 PRO HD3 1 1 20 4653 1 1 6 PRO HG3 H -6.807 -8.899 1.166 1.00 . A A . 6 PRO HG3 1 1 20 4654 1 1 6 PRO N N -5.193 -6.119 0.806 1.00 . A A . 6 PRO N 1 1 20 4655 1 1 6 PRO O O -1.846 -7.411 0.812 1.00 . A A . 6 PRO O 1 1 20 4656 1 1 7 ARG C C -1.147 -6.316 -1.780 1.00 . A A . 7 ARG C 1 1 20 4657 1 1 7 ARG CA C -2.285 -7.323 -1.924 1.00 . A A . 7 ARG CA 1 1 20 4658 1 1 7 ARG CB C -2.916 -7.200 -3.312 1.00 . A A . 7 ARG CB 1 1 20 4659 1 1 7 ARG CD C -3.467 -9.522 -4.101 1.00 . A A . 7 ARG CD 1 1 20 4660 1 1 7 ARG CG C -4.023 -8.209 -3.569 1.00 . A A . 7 ARG CG 1 1 20 4661 1 1 7 ARG CZ C -3.694 -11.042 -2.182 1.00 . A A . 7 ARG CZ 1 1 20 4662 1 1 7 ARG H H -4.255 -6.927 -1.164 1.00 . A A . 7 ARG H 1 1 20 4663 1 1 7 ARG HA H -1.881 -8.329 -1.806 1.00 . A A . 7 ARG HA 1 1 20 4664 1 1 7 ARG HB3 H -2.142 -7.343 -4.064 1.00 . A A . 7 ARG HB3 1 1 20 4665 1 1 7 ARG HD3 H -2.670 -9.301 -4.810 1.00 . A A . 7 ARG HD3 1 1 20 4666 1 1 7 ARG HE H -1.920 -10.425 -2.944 1.00 . A A . 7 ARG HE 1 1 20 4667 1 1 7 ARG HG3 H -4.717 -7.795 -4.301 1.00 . A A . 7 ARG HG3 1 1 20 4668 1 1 7 ARG HH11 H -5.448 -10.411 -3.002 1.00 . A A . 7 ARG HH11 1 1 20 4669 1 1 7 ARG HH12 H -5.597 -11.504 -1.622 1.00 . A A . 7 ARG HH12 1 1 20 4670 1 1 7 ARG HH21 H -2.117 -11.835 -1.163 1.00 . A A . 7 ARG HH21 1 1 20 4671 1 1 7 ARG HH22 H -3.718 -12.307 -0.585 1.00 . A A . 7 ARG HH22 1 1 20 4672 1 1 7 ARG N N -3.292 -7.121 -0.889 1.00 . A A . 7 ARG N 1 1 20 4673 1 1 7 ARG NE N -2.933 -10.362 -3.033 1.00 . A A . 7 ARG NE 1 1 20 4674 1 1 7 ARG NH1 N -5.015 -10.980 -2.275 1.00 . A A . 7 ARG NH1 1 1 20 4675 1 1 7 ARG NH2 N -3.133 -11.786 -1.237 1.00 . A A . 7 ARG NH2 1 1 20 4676 1 1 7 ARG O O 0.023 -6.693 -1.698 1.00 . A A . 7 ARG O 1 1 20 4677 1 1 8 CYS C C 0.124 -3.989 -0.229 1.00 . A A . 8 CYS C 1 1 20 4678 1 1 8 CYS CA C -0.507 -3.974 -1.618 1.00 . A A . 8 CYS CA 1 1 20 4679 1 1 8 CYS CB C -1.151 -2.611 -1.882 1.00 . A A . 8 CYS CB 1 1 20 4680 1 1 8 CYS H H -2.484 -4.789 -1.823 1.00 . A A . 8 CYS H 1 1 20 4681 1 1 8 CYS HA H 0.272 -4.147 -2.359 1.00 . A A . 8 CYS HA 1 1 20 4682 1 1 8 CYS HB3 H -0.597 -1.844 -1.341 1.00 . A A . 8 CYS HB3 1 1 20 4683 1 1 8 CYS N N -1.497 -5.035 -1.751 1.00 . A A . 8 CYS N 1 1 20 4684 1 1 8 CYS O O 1.277 -3.599 -0.055 1.00 . A A . 8 CYS O 1 1 20 4685 1 1 8 CYS SG S -1.187 -2.134 -3.639 1.00 . A A . 8 CYS SG 1 1 20 4686 1 1 9 ASN C C 0.930 -5.570 2.275 1.00 . A A . 9 ASN C 1 1 20 4687 1 1 9 ASN CA C -0.158 -4.510 2.133 1.00 . A A . 9 ASN CA 1 1 20 4688 1 1 9 ASN CB C -1.314 -4.818 3.087 1.00 . A A . 9 ASN CB 1 1 20 4689 1 1 9 ASN CG C -1.743 -3.603 3.886 1.00 . A A . 9 ASN CG 1 1 20 4690 1 1 9 ASN H H -1.591 -4.754 0.550 1.00 . A A . 9 ASN H 1 1 20 4691 1 1 9 ASN HA H 0.262 -3.538 2.387 1.00 . A A . 9 ASN HA 1 1 20 4692 1 1 9 ASN HB3 H -1.005 -5.597 3.784 1.00 . A A . 9 ASN HB3 1 1 20 4693 1 1 9 ASN HD21 H 0.176 -3.282 4.431 1.00 . A A . 9 ASN HD21 1 1 20 4694 1 1 9 ASN HD22 H -1.042 -2.119 5.063 1.00 . A A . 9 ASN HD22 1 1 20 4695 1 1 9 ASN N N -0.643 -4.444 0.758 1.00 . A A . 9 ASN N 1 1 20 4696 1 1 9 ASN ND2 N -0.781 -2.940 4.518 1.00 . A A . 9 ASN ND2 1 1 20 4697 1 1 9 ASN O O 1.995 -5.309 2.836 1.00 . A A . 9 ASN O 1 1 20 4698 1 1 9 ASN OD1 O -2.926 -3.265 3.934 1.00 . A A . 9 ASN OD1 1 1 20 4699 1 1 10 TYR C C 2.747 -7.666 0.839 1.00 . A A . 10 TYR C 1 1 20 4700 1 1 10 TYR CA C 1.610 -7.865 1.836 1.00 . A A . 10 TYR CA 1 1 20 4701 1 1 10 TYR CB C 0.908 -9.197 1.566 1.00 . A A . 10 TYR CB 1 1 20 4702 1 1 10 TYR CD1 C 2.437 -10.690 0.224 1.00 . A A . 10 TYR CD1 1 1 20 4703 1 1 10 TYR CD2 C 2.169 -11.152 2.547 1.00 . A A . 10 TYR CD2 1 1 20 4704 1 1 10 TYR CE1 C 3.304 -11.760 0.107 1.00 . A A . 10 TYR CE1 1 1 20 4705 1 1 10 TYR CE2 C 3.036 -12.222 2.440 1.00 . A A . 10 TYR CE2 1 1 20 4706 1 1 10 TYR CG C 1.855 -10.368 1.444 1.00 . A A . 10 TYR CG 1 1 20 4707 1 1 10 TYR CZ C 3.601 -12.522 1.217 1.00 . A A . 10 TYR CZ 1 1 20 4708 1 1 10 TYR H H -0.246 -6.918 1.313 1.00 . A A . 10 TYR H 1 1 20 4709 1 1 10 TYR HA H 2.025 -7.883 2.845 1.00 . A A . 10 TYR HA 1 1 20 4710 1 1 10 TYR HB3 H 0.347 -9.120 0.635 1.00 . A A . 10 TYR HB3 1 1 20 4711 1 1 10 TYR HD1 H 2.204 -10.092 -0.645 1.00 . A A . 10 TYR HD1 1 1 20 4712 1 1 10 TYR HD2 H 1.725 -10.914 3.503 1.00 . A A . 10 TYR HD2 1 1 20 4713 1 1 10 TYR HE1 H 3.747 -11.996 -0.850 1.00 . A A . 10 TYR HE1 1 1 20 4714 1 1 10 TYR HE2 H 3.268 -12.820 3.309 1.00 . A A . 10 TYR HE2 1 1 20 4715 1 1 10 TYR HH H 4.752 -13.870 1.998 1.00 . A A . 10 TYR HH 1 1 20 4716 1 1 10 TYR N N 0.656 -6.765 1.764 1.00 . A A . 10 TYR N 1 1 20 4717 1 1 10 TYR O O 3.880 -8.079 1.082 1.00 . A A . 10 TYR O 1 1 20 4718 1 1 10 TYR OH O 4.463 -13.589 1.105 1.00 . A A . 10 TYR OH 1 1 20 4719 1 1 11 ALA C C 4.348 -5.620 -0.922 1.00 . A A . 11 ALA C 1 1 20 4720 1 1 11 ALA CA C 3.429 -6.771 -1.318 1.00 . A A . 11 ALA CA 1 1 20 4721 1 1 11 ALA CB C 2.746 -6.470 -2.644 1.00 . A A . 11 ALA CB 1 1 20 4722 1 1 11 ALA H H 1.476 -6.709 -0.425 1.00 . A A . 11 ALA H 1 1 20 4723 1 1 11 ALA HA H 4.026 -7.674 -1.443 1.00 . A A . 11 ALA HA 1 1 20 4724 1 1 11 ALA HB1 H 3.478 -6.524 -3.450 1.00 . A A . 11 ALA HB1 1 1 20 4725 1 1 11 ALA HB2 H 1.956 -7.200 -2.821 1.00 . A A . 11 ALA HB2 1 1 20 4726 1 1 11 ALA HB3 H 2.315 -5.469 -2.611 1.00 . A A . 11 ALA HB3 1 1 20 4727 1 1 11 ALA N N 2.434 -7.027 -0.285 1.00 . A A . 11 ALA N 1 1 20 4728 1 1 11 ALA O O 5.560 -5.681 -1.132 1.00 . A A . 11 ALA O 1 1 20 4729 1 1 12 HIS C C 4.373 -3.171 1.578 1.00 . A A . 12 HIS C 1 1 20 4730 1 1 12 HIS CA C 4.533 -3.409 0.079 1.00 . A A . 12 HIS CA 1 1 20 4731 1 1 12 HIS CB C 4.100 -2.119 -0.619 1.00 . A A . 12 HIS CB 1 1 20 4732 1 1 12 HIS CD2 C 2.412 -1.775 -2.558 1.00 . A A . 12 HIS CD2 1 1 20 4733 1 1 12 HIS CE1 C 3.256 -3.218 -3.976 1.00 . A A . 12 HIS CE1 1 1 20 4734 1 1 12 HIS CG C 3.491 -2.342 -1.968 1.00 . A A . 12 HIS CG 1 1 20 4735 1 1 12 HIS H H 2.756 -4.585 -0.201 1.00 . A A . 12 HIS H 1 1 20 4736 1 1 12 HIS HA H 5.584 -3.604 -0.136 1.00 . A A . 12 HIS HA 1 1 20 4737 1 1 12 HIS HB3 H 4.968 -1.472 -0.744 1.00 . A A . 12 HIS HB3 1 1 20 4738 1 1 12 HIS HD2 H 1.768 -1.023 -2.127 1.00 . A A . 12 HIS HD2 1 1 20 4739 1 1 12 HIS HE1 H 3.413 -3.818 -4.861 1.00 . A A . 12 HIS HE1 1 1 20 4740 1 1 12 HIS HE2 H 1.563 -2.111 -4.486 1.00 . A A . 12 HIS HE2 1 1 20 4741 1 1 12 HIS N N 3.765 -4.573 -0.348 1.00 . A A . 12 HIS N 1 1 20 4742 1 1 12 HIS ND1 N 3.996 -3.241 -2.882 1.00 . A A . 12 HIS ND1 1 1 20 4743 1 1 12 HIS NE2 N 2.286 -2.336 -3.804 1.00 . A A . 12 HIS NE2 1 1 20 4744 1 1 12 HIS O O 3.834 -2.154 2.016 1.00 . A A . 12 HIS O 1 1 20 4745 1 1 13 PRO C C 5.691 -2.976 4.415 1.00 . A A . 13 PRO C 1 1 20 4746 1 1 13 PRO CA C 4.772 -4.049 3.844 1.00 . A A . 13 PRO CA 1 1 20 4747 1 1 13 PRO CB C 5.222 -5.439 4.303 1.00 . A A . 13 PRO CB 1 1 20 4748 1 1 13 PRO CD C 5.504 -5.370 1.930 1.00 . A A . 13 PRO CD 1 1 20 4749 1 1 13 PRO CG C 6.082 -5.942 3.195 1.00 . A A . 13 PRO CG 1 1 20 4750 1 1 13 PRO HA H 3.751 -3.867 4.180 1.00 . A A . 13 PRO HA 1 1 20 4751 1 1 13 PRO HB3 H 4.351 -6.077 4.452 1.00 . A A . 13 PRO HB3 1 1 20 4752 1 1 13 PRO HD3 H 4.776 -6.058 1.499 1.00 . A A . 13 PRO HD3 1 1 20 4753 1 1 13 PRO HG3 H 6.049 -7.032 3.167 1.00 . A A . 13 PRO HG3 1 1 20 4754 1 1 13 PRO N N 4.850 -4.132 2.383 1.00 . A A . 13 PRO N 1 1 20 4755 1 1 13 PRO O O 5.338 -2.285 5.371 1.00 . A A . 13 PRO O 1 1 20 4756 1 1 14 ALA C C 7.238 -0.451 4.275 1.00 . A A . 14 ALA C 1 1 20 4757 1 1 14 ALA CA C 7.844 -1.850 4.273 1.00 . A A . 14 ALA CA 1 1 20 4758 1 1 14 ALA CB C 9.084 -1.888 3.392 1.00 . A A . 14 ALA CB 1 1 20 4759 1 1 14 ALA H H 7.108 -3.445 3.036 1.00 . A A . 14 ALA H 1 1 20 4760 1 1 14 ALA HA H 8.143 -2.107 5.289 1.00 . A A . 14 ALA HA 1 1 20 4761 1 1 14 ALA HB1 H 9.616 -0.940 3.472 1.00 . A A . 14 ALA HB1 1 1 20 4762 1 1 14 ALA HB2 H 9.736 -2.699 3.718 1.00 . A A . 14 ALA HB2 1 1 20 4763 1 1 14 ALA HB3 H 8.789 -2.053 2.356 1.00 . A A . 14 ALA HB3 1 1 20 4764 1 1 14 ALA N N 6.874 -2.841 3.824 1.00 . A A . 14 ALA N 1 1 20 4765 1 1 14 ALA O O 7.378 0.295 5.245 1.00 . A A . 14 ALA O 1 1 20 4766 1 1 15 ILE C C 4.671 1.135 2.215 1.00 . A A . 15 ILE C 1 1 20 4767 1 1 15 ILE CA C 5.938 1.210 3.061 1.00 . A A . 15 ILE CA 1 1 20 4768 1 1 15 ILE CB C 6.900 2.238 2.436 1.00 . A A . 15 ILE CB 1 1 20 4769 1 1 15 ILE CD1 C 9.268 3.161 2.567 1.00 . A A . 15 ILE CD1 1 1 20 4770 1 1 15 ILE CG1 C 8.249 2.213 3.158 1.00 . A A . 15 ILE CG1 1 1 20 4771 1 1 15 ILE CG2 C 6.292 3.631 2.486 1.00 . A A . 15 ILE CG2 1 1 20 4772 1 1 15 ILE H H 6.487 -0.765 2.413 1.00 . A A . 15 ILE H 1 1 20 4773 1 1 15 ILE HA H 5.676 1.551 4.062 1.00 . A A . 15 ILE HA 1 1 20 4774 1 1 15 ILE HB H 7.052 1.972 1.390 1.00 . A A . 15 ILE HB 1 1 20 4775 1 1 15 ILE HD11 H 9.089 3.266 1.497 1.00 . A A . 15 ILE HD11 1 1 20 4776 1 1 15 ILE HD12 H 9.183 4.134 3.048 1.00 . A A . 15 ILE HD12 1 1 20 4777 1 1 15 ILE HD13 H 10.270 2.762 2.728 1.00 . A A . 15 ILE HD13 1 1 20 4778 1 1 15 ILE HG13 H 8.659 1.205 3.109 1.00 . A A . 15 ILE HG13 1 1 20 4779 1 1 15 ILE HG21 H 6.309 4.072 1.490 1.00 . A A . 15 ILE HG21 1 1 20 4780 1 1 15 ILE HG22 H 5.262 3.564 2.834 1.00 . A A . 15 ILE HG22 1 1 20 4781 1 1 15 ILE HG23 H 6.867 4.256 3.170 1.00 . A A . 15 ILE HG23 1 1 20 4782 1 1 15 ILE N N 6.566 -0.100 3.183 1.00 . A A . 15 ILE N 1 1 20 4783 1 1 15 ILE O O 4.687 0.620 1.097 1.00 . A A . 15 ILE O 1 1 20 4784 1 1 16 CYS C C 2.194 2.843 1.106 1.00 . A A . 16 CYS C 1 1 20 4785 1 1 16 CYS CA C 2.298 1.650 2.052 1.00 . A A . 16 CYS CA 1 1 20 4786 1 1 16 CYS CB C 1.140 1.675 3.052 1.00 . A A . 16 CYS CB 1 1 20 4787 1 1 16 CYS H H 3.627 2.068 3.687 1.00 . A A . 16 CYS H 1 1 20 4788 1 1 16 CYS HA H 2.242 0.732 1.468 1.00 . A A . 16 CYS HA 1 1 20 4789 1 1 16 CYS HB3 H 1.094 2.660 3.519 1.00 . A A . 16 CYS HB3 1 1 20 4790 1 1 16 CYS N N 3.574 1.655 2.756 1.00 . A A . 16 CYS N 1 1 20 4791 1 1 16 CYS O O 1.240 3.616 1.168 1.00 . A A . 16 CYS O 1 1 20 4792 1 1 16 CYS SG S -0.489 1.334 2.312 1.00 . A A . 16 CYS SG 1 1 20 4793 1 1 17 GLY C C 2.071 3.970 -1.739 1.00 . A A . 17 GLY C 1 1 20 4794 1 1 17 GLY CA C 3.184 4.083 -0.717 1.00 . A A . 17 GLY CA 1 1 20 4795 1 1 17 GLY H H 3.949 2.310 0.225 1.00 . A A . 17 GLY H 1 1 20 4796 1 1 17 GLY HA2 H 3.068 5.019 -0.172 1.00 . A A . 17 GLY HA2 1 1 20 4797 1 1 17 GLY HA3 H 4.141 4.096 -1.240 1.00 . A A . 17 GLY HA3 1 1 20 4798 1 1 17 GLY N N 3.184 2.984 0.230 1.00 . A A . 17 GLY N 1 1 20 4799 1 1 17 GLY O O 1.512 4.976 -2.174 1.00 . A A . 17 GLY O 1 1 20 4800 1 1 18 GLY C C -0.603 3.202 -2.717 1.00 . A A . 18 GLY C 1 1 20 4801 1 1 18 GLY CA C 0.695 2.520 -3.102 1.00 . A A . 18 GLY CA 1 1 20 4802 1 1 18 GLY H H 2.247 1.942 -1.730 1.00 . A A . 18 GLY H 1 1 20 4803 1 1 18 GLY HA2 H 1.025 2.906 -4.067 1.00 . A A . 18 GLY HA2 1 1 20 4804 1 1 18 GLY HA3 H 0.517 1.449 -3.191 1.00 . A A . 18 GLY HA3 1 1 20 4805 1 1 18 GLY N N 1.748 2.739 -2.126 1.00 . A A . 18 GLY N 1 1 20 4806 1 1 18 GLY O O -1.410 3.545 -3.580 1.00 . A A . 18 GLY O 1 1 20 4807 1 1 19 ALA C C -2.201 5.418 -1.550 1.00 . A A . 19 ALA C 1 1 20 4808 1 1 19 ALA CA C -2.014 4.041 -0.921 1.00 . A A . 19 ALA CA 1 1 20 4809 1 1 19 ALA CB C -1.968 4.154 0.595 1.00 . A A . 19 ALA CB 1 1 20 4810 1 1 19 ALA H H -0.097 3.088 -0.752 1.00 . A A . 19 ALA H 1 1 20 4811 1 1 19 ALA HA H -2.864 3.414 -1.188 1.00 . A A . 19 ALA HA 1 1 20 4812 1 1 19 ALA HB1 H -1.039 3.718 0.962 1.00 . A A . 19 ALA HB1 1 1 20 4813 1 1 19 ALA HB2 H -2.015 5.204 0.883 1.00 . A A . 19 ALA HB2 1 1 20 4814 1 1 19 ALA HB3 H -2.816 3.620 1.025 1.00 . A A . 19 ALA HB3 1 1 20 4815 1 1 19 ALA N N -0.805 3.397 -1.418 1.00 . A A . 19 ALA N 1 1 20 4816 1 1 19 ALA O O -3.326 5.865 -1.768 1.00 . A A . 19 ALA O 1 1 20 4817 1 1 20 ALA C C -1.942 7.402 -3.734 1.00 . A A . 20 ALA C 1 1 20 4818 1 1 20 ALA CA C -1.129 7.412 -2.444 1.00 . A A . 20 ALA CA 1 1 20 4819 1 1 20 ALA CB C 0.282 7.914 -2.711 1.00 . A A . 20 ALA CB 1 1 20 4820 1 1 20 ALA H H -0.184 5.661 -1.633 1.00 . A A . 20 ALA H 1 1 20 4821 1 1 20 ALA HA H -1.601 8.091 -1.734 1.00 . A A . 20 ALA HA 1 1 20 4822 1 1 20 ALA HB1 H 0.235 8.870 -3.233 1.00 . A A . 20 ALA HB1 1 1 20 4823 1 1 20 ALA HB2 H 0.807 8.043 -1.765 1.00 . A A . 20 ALA HB2 1 1 20 4824 1 1 20 ALA HB3 H 0.815 7.189 -3.327 1.00 . A A . 20 ALA HB3 1 1 20 4825 1 1 20 ALA N N -1.087 6.087 -1.839 1.00 . A A . 20 ALA N 1 1 20 4826 1 1 20 ALA O O -2.720 8.318 -3.995 1.00 . A A . 20 ALA O 1 1 20 4827 1 1 21 GLY C C -3.949 5.954 -5.588 1.00 . A A . 21 GLY C 1 1 20 4828 1 1 21 GLY CA C -2.477 6.251 -5.792 1.00 . A A . 21 GLY CA 1 1 20 4829 1 1 21 GLY H H -1.095 5.630 -4.266 1.00 . A A . 21 GLY H 1 1 20 4830 1 1 21 GLY HA2 H -2.378 7.189 -6.338 1.00 . A A . 21 GLY HA2 1 1 20 4831 1 1 21 GLY HA3 H -2.036 5.448 -6.383 1.00 . A A . 21 GLY HA3 1 1 20 4832 1 1 21 GLY N N -1.755 6.359 -4.537 1.00 . A A . 21 GLY N 1 1 20 4833 1 1 21 GLY O O -4.809 6.588 -6.199 1.00 . A A . 21 GLY O 1 1 20 4834 1 1 22 GLY C C -5.774 3.812 -3.188 1.00 . A A . 22 GLY C 1 1 20 4835 1 1 22 GLY CA C -5.623 4.619 -4.462 1.00 . A A . 22 GLY CA 1 1 20 4836 1 1 22 GLY H H -3.487 4.492 -4.250 1.00 . A A . 22 GLY H 1 1 20 4837 1 1 22 GLY HA2 H -6.217 5.529 -4.377 1.00 . A A . 22 GLY HA2 1 1 20 4838 1 1 22 GLY HA3 H -5.996 4.030 -5.299 1.00 . A A . 22 GLY HA3 1 1 20 4839 1 1 22 GLY N N -4.243 4.983 -4.727 1.00 . A A . 22 GLY N 1 1 20 4840 1 1 22 GLY O O -5.306 4.222 -2.126 1.00 . A A . 22 GLY O 1 1 stop_ save_
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