NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
628795 | 6cxq | 30448 | cing | 4-filtered-FRED | STAR | entry | full | 48 |
data_FRED_restraints_with_modified_coordinates_PDB_code_6cxq # This FRED archive file contains, for PDB entry <6cxq>: # # - 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_6cxq _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 6cxq _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "not present" _Assembly.Molecular_mass 853.03 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 $Hexapeptide_HRFLRH A . 1 1 stop_ save_ save_Hexapeptide_HRFLRH _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name "Hexapeptide HRFLRH" _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code HRFLRHX _Entity.Number_of_monomers 7 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 HIS . 1 1 2 ARG . 1 1 3 PHE . 1 1 4 LEU . 1 1 5 ARG . 1 1 6 HIS . 1 1 7 NH2 $NH2 1 1 stop_ loop_ _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID HIS 1 1 1 1 ARG 2 2 1 1 PHE 3 3 1 1 LEU 4 4 1 1 ARG 5 5 1 1 HIS 6 6 1 1 NH2 7 7 1 1 stop_ save_ save_NH2 _Chem_comp.Sf_category chem_comp _Chem_comp.Entry_ID 1 _Chem_comp.ID NH2 _Chem_comp.Type non-polymer save_ save_CNS/XPLOR_distance_constraints_2_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID . _Distance_constraint_list.Block_ID . loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . 1 1 2 1 . . . 1 1 3 1 . . . 1 1 4 1 . . . 1 1 5 1 . . . 1 1 6 1 . . . 1 1 7 1 . . . 1 1 8 1 . . . 1 1 9 1 . . . 1 1 10 1 . . . 1 1 11 1 . . . 1 1 12 1 . . . 1 1 13 1 . . . 1 1 14 1 . . . 1 1 15 1 . . . 1 1 16 1 . . . 1 1 17 1 . . . 1 1 18 1 . . . 1 1 19 1 . . . 1 1 20 1 . . . 1 1 21 1 . . . 1 1 22 1 . . . 1 1 23 1 . . . 1 1 24 1 . . . 1 1 25 1 . . . 1 1 26 1 . . . 1 1 27 1 . . . 1 1 28 1 . . . 1 1 29 1 . . . 1 1 30 1 . . . 1 1 31 1 . . . 1 1 32 1 . . . 1 1 33 1 . . . 1 1 34 1 . . . 1 1 35 1 . . . 1 1 36 1 . . . 1 1 37 1 . . . 1 1 38 1 . . . 1 1 39 1 . . . 1 1 40 1 . . . 1 1 41 1 . . . 1 1 42 1 . . . 1 1 43 1 . . . 1 1 44 1 . . . 1 1 45 1 . . . 1 1 46 1 . . . 1 1 47 1 . . . 1 1 48 1 . . . 1 1 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 1 1 1 HIS HA . 1 . HA 1 1 1 1 2 1 1 1 HIS QB . 1 . HB# 1 1 2 1 1 1 1 1 HIS HA . 1 . HA 1 1 2 1 2 1 1 1 HIS HE1 . 1 . HE1 1 1 3 1 1 1 1 1 HIS HA . 1 . HA 1 1 3 1 2 1 1 2 ARG HG2 . 2 . HG2 1 1 4 1 1 1 1 1 HIS QB . 1 . HB# 1 1 4 1 2 1 1 1 HIS HD2 . 1 . HD2 1 1 5 1 1 1 1 1 HIS QB . 1 . HB# 1 1 5 1 2 1 1 2 ARG HA . 2 . HA 1 1 6 1 1 1 1 2 ARG HA . 2 . HA 1 1 6 1 2 1 1 3 PHE H . 3 . HN 1 1 7 1 1 1 1 2 ARG QB . 2 . HB# 1 1 7 1 2 1 1 2 ARG QD . 2 . HD# 1 1 8 1 1 1 1 2 ARG QB . 2 . HB# 1 1 8 1 2 1 1 3 PHE H . 3 . HN 1 1 9 1 1 1 1 2 ARG QB . 2 . HB# 1 1 9 1 2 1 1 4 LEU H . 4 . HN 1 1 10 1 1 1 1 2 ARG QB . 2 . HB# 1 1 10 1 2 1 1 4 LEU HA . 4 . HA 1 1 11 1 1 1 1 2 ARG HB2 . 2 . HB2 1 1 11 1 2 1 1 4 LEU HA . 4 . HA 1 1 12 1 1 1 1 2 ARG QD . 2 . HD# 1 1 12 1 2 1 1 4 LEU HA . 4 . HA 1 1 13 1 1 1 1 2 ARG HD2 . 2 . HD2 1 1 13 1 2 1 1 2 ARG HG2 . 2 . HG2 1 1 14 1 1 1 1 2 ARG HG2 . 2 . HG2 1 1 14 1 2 1 1 4 LEU H . 4 . HN 1 1 15 1 1 1 1 3 PHE H . 3 . HN 1 1 15 1 2 1 1 3 PHE HB3 . 3 . HB1 1 1 16 1 1 1 1 3 PHE HA . 3 . HA 1 1 16 1 2 1 1 3 PHE HB2 . 3 . HB2 1 1 17 1 1 1 1 3 PHE HA . 3 . HA 1 1 17 1 2 1 1 3 PHE HB3 . 3 . HB1 1 1 18 1 1 1 1 3 PHE HA . 3 . HA 1 1 18 1 2 1 1 3 PHE QD . 3 . HD# 1 1 19 1 1 1 1 3 PHE HA . 3 . HA 1 1 19 1 2 1 1 4 LEU H . 4 . HN 1 1 20 1 1 1 1 3 PHE HA . 3 . HA 1 1 20 1 2 1 1 4 LEU HA . 4 . HA 1 1 21 1 1 1 1 3 PHE HB2 . 3 . HB2 1 1 21 1 2 1 1 3 PHE HD1 . 3 . HD1 1 1 22 1 1 1 1 3 PHE HB2 . 3 . HB2 1 1 22 1 2 1 1 3 PHE QD . 3 . HD# 1 1 23 1 1 1 1 3 PHE HB2 . 3 . HB2 1 1 23 1 2 1 1 4 LEU H . 4 . HN 1 1 24 1 1 1 1 3 PHE HB3 . 3 . HB1 1 1 24 1 2 1 1 3 PHE HD1 . 3 . HD1 1 1 25 1 1 1 1 3 PHE HB3 . 3 . HB1 1 1 25 1 2 1 1 3 PHE QD . 3 . HD# 1 1 26 1 1 1 1 3 PHE HB3 . 3 . HB1 1 1 26 1 2 1 1 4 LEU H . 4 . HN 1 1 27 1 1 1 1 3 PHE HD2 . 3 . HD2 1 1 27 1 2 1 1 4 LEU HB2 . 4 . HB2 1 1 28 1 1 1 1 4 LEU H . 4 . HN 1 1 28 1 2 1 1 4 LEU HG . 4 . HG 1 1 29 1 1 1 1 4 LEU H . 4 . HN 1 1 29 1 2 1 1 5 ARG QD . 5 . HD# 1 1 30 1 1 1 1 4 LEU HA . 4 . HA 1 1 30 1 2 1 1 4 LEU MD1 . 4 . HD1# 1 1 31 1 1 1 1 4 LEU HA . 4 . HA 1 1 31 1 2 1 1 4 LEU HG . 4 . HG 1 1 32 1 1 1 1 4 LEU HA . 4 . HA 1 1 32 1 2 1 1 5 ARG H . 5 . HN 1 1 33 1 1 1 1 4 LEU QB . 4 . HB# 1 1 33 1 2 1 1 4 LEU MD1 . 4 . HD1# 1 1 34 1 1 1 1 4 LEU QB . 4 . HB# 1 1 34 1 2 1 1 4 LEU MD2 . 4 . HD2# 1 1 35 1 1 1 1 4 LEU QB . 4 . HB# 1 1 35 1 2 1 1 5 ARG HA . 5 . HA 1 1 36 1 1 1 1 4 LEU QB . 4 . HB# 1 1 36 1 2 1 1 6 HIS HB3 . 6 . HB1 1 1 37 1 1 1 1 5 ARG HA . 5 . HA 1 1 37 1 2 1 1 5 ARG QD . 5 . HD# 1 1 38 1 1 1 1 5 ARG HA . 5 . HA 1 1 38 1 2 1 1 6 HIS H . 6 . HN 1 1 39 1 1 1 1 5 ARG HA . 5 . HA 1 1 39 1 2 1 1 6 HIS HA . 6 . HA 1 1 40 1 1 1 1 5 ARG HB2 . 5 . HB2 1 1 40 1 2 1 1 5 ARG HD2 . 5 . HD2 1 1 41 1 1 1 1 5 ARG HB2 . 5 . HB2 1 1 41 1 2 1 1 5 ARG QD . 5 . HD# 1 1 42 1 1 1 1 5 ARG HB2 . 5 . HB2 1 1 42 1 2 1 1 5 ARG HG2 . 5 . HG2 1 1 43 1 1 1 1 5 ARG HB3 . 5 . HB1 1 1 43 1 2 1 1 5 ARG QD . 5 . HD# 1 1 44 1 1 1 1 5 ARG HB3 . 5 . HB1 1 1 44 1 2 1 1 5 ARG HD3 . 5 . HD1 1 1 45 1 1 1 1 5 ARG HB3 . 5 . HB1 1 1 45 1 2 1 1 5 ARG HE . 5 . HE 1 1 46 1 1 1 1 5 ARG HD2 . 5 . HD2 1 1 46 1 2 1 1 5 ARG HG2 . 5 . HG2 1 1 47 1 1 1 1 5 ARG HE . 5 . HE 1 1 47 1 2 1 1 6 HIS HA . 6 . HA 1 1 48 1 1 1 1 6 HIS HA . 6 . HA 1 1 48 1 2 1 1 6 HIS HB3 . 6 . HB1 1 1 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 2.8 1.8 2.8 1 1 2 1 . . . . . 5.0 1.8 5.0 1 1 3 1 . . . . . . 1.8 3.4 1 1 4 1 . . . . . 3.4 1.8 3.4 1 1 5 1 . . . . . 5.0 1.8 5.0 1 1 6 1 . . . . . 2.8 1.8 2.8 1 1 7 1 . . . . . 3.4 1.8 3.4 1 1 8 1 . . . . . 5.0 1.8 5.0 1 1 9 1 . . . . . 3.4 1.8 3.4 1 1 10 1 . . . . . 3.4 1.8 3.4 1 1 11 1 . . . . . 2.8 1.8 2.8 1 1 12 1 . . . . . 3.4 1.8 3.4 1 1 13 1 . . . . . 2.8 1.8 2.8 1 1 14 1 . . . . . 5.0 1.8 5.0 1 1 15 1 . . . . . 3.4 1.8 3.4 1 1 16 1 . . . . . 2.8 1.8 2.8 1 1 17 1 . . . . . 2.8 1.8 2.8 1 1 18 1 . . . . . 2.8 1.8 2.8 1 1 19 1 . . . . . 2.8 1.8 2.8 1 1 20 1 . . . . . 5.0 1.8 5.0 1 1 21 1 . . . . . 2.8 1.8 2.8 1 1 22 1 . . . . . 2.8 1.8 2.8 1 1 23 1 . . . . . 5.0 1.8 5.0 1 1 24 1 . . . . . 2.8 1.8 2.8 1 1 25 1 . . . . . 3.4 1.8 3.4 1 1 26 1 . . . . . 5.0 1.8 5.0 1 1 27 1 . . . . . 5.0 1.8 5.0 1 1 28 1 . . . . . 2.8 1.8 2.8 1 1 29 1 . . . . . 5.0 1.8 5.0 1 1 30 1 . . . . . . 1.8 3.4 1 1 31 1 . . . . . 2.8 1.8 2.8 1 1 32 1 . . . . . 2.8 1.8 2.8 1 1 33 1 . . . . . 2.8 1.8 2.8 1 1 34 1 . . . . . 2.8 1.8 2.8 1 1 35 1 . . . . . 5.0 1.8 5.0 1 1 36 1 . . . . . 3.4 1.8 3.4 1 1 37 1 . . . . . 3.4 1.8 3.4 1 1 38 1 . . . . . 3.4 1.8 3.4 1 1 39 1 . . . . . 5.0 1.8 5.0 1 1 40 1 . . . . . 3.4 1.8 3.4 1 1 41 1 . . . . . 3.4 1.8 3.4 1 1 42 1 . . . . . 2.8 1.8 2.8 1 1 43 1 . . . . . 3.4 1.8 3.4 1 1 44 1 . . . . . 2.8 1.8 2.8 1 1 45 1 . . . . . 5.0 1.8 5.0 1 1 46 1 . . . . . 2.8 1.8 2.8 1 1 47 1 . . . . . 5.0 1.8 5.0 1 1 48 1 . . . . . 2.8 1.8 2.8 1 1 stop_ save_ save_conformer_family_coord_set_1 _Conformer_family_coord_set.Sf_category conformer_family_coord_set _Conformer_family_coord_set.Entry_ID 1 _Conformer_family_coord_set.ID 1 loop_ _Atom_site.Model_ID _Atom_site.ID _Atom_site.Label_entity_assembly_ID _Atom_site.Label_entity_ID _Atom_site.Label_comp_index_ID _Atom_site.Label_comp_ID _Atom_site.Label_atom_ID _Atom_site.Type_symbol _Atom_site.Cartn_x _Atom_site.Cartn_y _Atom_site.Cartn_z _Atom_site.Occupancy _Atom_site.Uncertainty _Atom_site.PDBX_label_asym_ID _Atom_site.PDB_strand_ID _Atom_site.PDB_ins_code _Atom_site.PDB_residue_no _Atom_site.PDB_residue_name _Atom_site.PDB_atom_name _Atom_site.Entry_ID _Atom_site.Conformer_family_coord_set_ID 1 1 1 1 1 HIS C C 4.820 -1.691 3.718 1.00 . A A . 1 HIS C 1 1 1 2 1 1 1 HIS CA C 6.332 -1.712 3.585 1.00 . A A . 1 HIS CA 1 1 1 3 1 1 1 HIS CB C 6.769 -2.632 2.443 1.00 . A A . 1 HIS CB 1 1 1 4 1 1 1 HIS CD2 C 8.789 -1.776 1.058 1.00 . A A . 1 HIS CD2 1 1 1 5 1 1 1 HIS CE1 C 7.679 -0.703 -0.498 1.00 . A A . 1 HIS CE1 1 1 1 6 1 1 1 HIS CG C 7.470 -1.915 1.331 1.00 . A A . 1 HIS CG 1 1 1 7 1 1 1 HIS H1 H 6.906 -3.210 4.872 1.00 . A A . 1 HIS H1 1 1 1 8 1 1 1 HIS H2 H 6.467 -1.739 5.638 1.00 . A A . 1 HIS H2 1 1 1 9 1 1 1 HIS H3 H 7.970 -1.868 4.821 1.00 . A A . 1 HIS H3 1 1 1 10 1 1 1 HIS HA H 6.659 -0.702 3.380 1.00 . A A . 1 HIS HA 1 1 1 11 1 1 1 HIS HB2 H 7.446 -3.379 2.831 1.00 . A A . 1 HIS HB2 1 1 1 12 1 1 1 HIS HB3 H 5.900 -3.123 2.028 1.00 . A A . 1 HIS HB3 1 1 1 13 1 1 1 HIS HD1 H 5.829 -1.145 0.255 1.00 . A A . 1 HIS HD1 1 1 1 14 1 1 1 HIS HD2 H 9.609 -2.185 1.632 1.00 . A A . 1 HIS HD2 1 1 1 15 1 1 1 HIS HE1 H 7.444 -0.113 -1.371 1.00 . A A . 1 HIS HE1 1 1 1 16 1 1 1 HIS HE2 H 9.726 -0.680 -0.468 1.00 . A A . 1 HIS HE2 1 1 1 17 1 1 1 HIS N N 6.977 -2.174 4.843 1.00 . A A . 1 HIS N 1 1 1 18 1 1 1 HIS ND1 N 6.802 -1.230 0.337 1.00 . A A . 1 HIS ND1 1 1 1 19 1 1 1 HIS NE2 N 8.891 -1.018 -0.082 1.00 . A A . 1 HIS NE2 1 1 1 20 1 1 1 HIS O O 4.288 -1.644 4.827 1.00 . A A . 1 HIS O 1 1 1 21 1 1 2 ARG C C 2.051 -2.335 1.431 1.00 . A A . 2 ARG C 1 1 1 22 1 1 2 ARG CA C 2.678 -1.613 2.608 1.00 . A A . 2 ARG CA 1 1 1 23 1 1 2 ARG CB C 2.231 -0.151 2.607 1.00 . A A . 2 ARG CB 1 1 1 24 1 1 2 ARG CD C 3.216 2.117 2.157 1.00 . A A . 2 ARG CD 1 1 1 25 1 1 2 ARG CG C 3.398 0.773 2.843 1.00 . A A . 2 ARG CG 1 1 1 26 1 1 2 ARG CZ C 1.901 4.181 2.450 1.00 . A A . 2 ARG CZ 1 1 1 27 1 1 2 ARG H H 4.599 -1.686 1.727 1.00 . A A . 2 ARG H 1 1 1 28 1 1 2 ARG HA H 2.363 -2.053 3.516 1.00 . A A . 2 ARG HA 1 1 1 29 1 1 2 ARG HB2 H 1.776 0.092 1.643 1.00 . A A . 2 ARG HB2 1 1 1 30 1 1 2 ARG HB3 H 1.507 0.001 3.393 1.00 . A A . 2 ARG HB3 1 1 1 31 1 1 2 ARG HD2 H 4.164 2.634 2.149 1.00 . A A . 2 ARG HD2 1 1 1 32 1 1 2 ARG HD3 H 2.891 1.948 1.142 1.00 . A A . 2 ARG HD3 1 1 1 33 1 1 2 ARG HE H 1.785 2.574 3.628 1.00 . A A . 2 ARG HE 1 1 1 34 1 1 2 ARG HG2 H 3.534 0.921 3.903 1.00 . A A . 2 ARG HG2 1 1 1 35 1 1 2 ARG HG3 H 4.262 0.285 2.448 1.00 . A A . 2 ARG HG3 1 1 1 36 1 1 2 ARG HH11 H 3.169 4.211 0.874 1.00 . A A . 2 ARG HH11 1 1 1 37 1 1 2 ARG HH12 H 2.231 5.649 1.099 1.00 . A A . 2 ARG HH12 1 1 1 38 1 1 2 ARG HH21 H 0.550 4.464 3.926 1.00 . A A . 2 ARG HH21 1 1 1 39 1 1 2 ARG HH22 H 0.744 5.793 2.832 1.00 . A A . 2 ARG HH22 1 1 1 40 1 1 2 ARG N N 4.127 -1.681 2.586 1.00 . A A . 2 ARG N 1 1 1 41 1 1 2 ARG NE N 2.228 2.951 2.839 1.00 . A A . 2 ARG NE 1 1 1 42 1 1 2 ARG NH1 N 2.482 4.725 1.387 1.00 . A A . 2 ARG NH1 1 1 1 43 1 1 2 ARG NH2 N 0.991 4.869 3.124 1.00 . A A . 2 ARG NH2 1 1 1 44 1 1 2 ARG O O 2.679 -2.504 0.386 1.00 . A A . 2 ARG O 1 1 1 45 1 1 3 PHE C C -0.611 -2.254 -0.330 1.00 . A A . 3 PHE C 1 1 1 46 1 1 3 PHE CA C 0.054 -3.342 0.504 1.00 . A A . 3 PHE CA 1 1 1 47 1 1 3 PHE CB C -0.987 -4.318 1.051 1.00 . A A . 3 PHE CB 1 1 1 48 1 1 3 PHE CD1 C -1.642 -6.727 1.001 1.00 . A A . 3 PHE CD1 1 1 1 49 1 1 3 PHE CD2 C -0.355 -5.895 -0.824 1.00 . A A . 3 PHE CD2 1 1 1 50 1 1 3 PHE CE1 C -1.664 -7.981 0.419 1.00 . A A . 3 PHE CE1 1 1 1 51 1 1 3 PHE CE2 C -0.373 -7.145 -1.411 1.00 . A A . 3 PHE CE2 1 1 1 52 1 1 3 PHE CG C -0.990 -5.673 0.392 1.00 . A A . 3 PHE CG 1 1 1 53 1 1 3 PHE CZ C -1.028 -8.190 -0.789 1.00 . A A . 3 PHE CZ 1 1 1 54 1 1 3 PHE H H 0.324 -2.501 2.424 1.00 . A A . 3 PHE H 1 1 1 55 1 1 3 PHE HA H 0.757 -3.867 -0.108 1.00 . A A . 3 PHE HA 1 1 1 56 1 1 3 PHE HB2 H -0.803 -4.470 2.108 1.00 . A A . 3 PHE HB2 1 1 1 57 1 1 3 PHE HB3 H -1.966 -3.889 0.918 1.00 . A A . 3 PHE HB3 1 1 1 58 1 1 3 PHE HD1 H -2.141 -6.561 1.943 1.00 . A A . 3 PHE HD1 1 1 1 59 1 1 3 PHE HD2 H 0.156 -5.080 -1.313 1.00 . A A . 3 PHE HD2 1 1 1 60 1 1 3 PHE HE1 H -2.178 -8.795 0.908 1.00 . A A . 3 PHE HE1 1 1 1 61 1 1 3 PHE HE2 H 0.126 -7.306 -2.356 1.00 . A A . 3 PHE HE2 1 1 1 62 1 1 3 PHE HZ H -1.043 -9.168 -1.246 1.00 . A A . 3 PHE HZ 1 1 1 63 1 1 3 PHE N N 0.786 -2.704 1.583 1.00 . A A . 3 PHE N 1 1 1 64 1 1 3 PHE O O -1.669 -2.453 -0.927 1.00 . A A . 3 PHE O 1 1 1 65 1 1 4 LEU C C -1.892 0.379 -0.729 1.00 . A A . 4 LEU C 1 1 1 66 1 1 4 LEU CA C -0.430 0.079 -1.052 1.00 . A A . 4 LEU CA 1 1 1 67 1 1 4 LEU CB C -0.246 -0.100 -2.560 1.00 . A A . 4 LEU CB 1 1 1 68 1 1 4 LEU CD1 C 2.018 -0.898 -3.286 1.00 . A A . 4 LEU CD1 1 1 1 69 1 1 4 LEU CD2 C 0.973 1.076 -4.410 1.00 . A A . 4 LEU CD2 1 1 1 70 1 1 4 LEU CG C 1.124 0.318 -3.099 1.00 . A A . 4 LEU CG 1 1 1 71 1 1 4 LEU H H 0.866 -1.019 0.172 1.00 . A A . 4 LEU H 1 1 1 72 1 1 4 LEU HA H 0.179 0.910 -0.717 1.00 . A A . 4 LEU HA 1 1 1 73 1 1 4 LEU HB2 H -0.403 -1.143 -2.798 1.00 . A A . 4 LEU HB2 1 1 1 74 1 1 4 LEU HB3 H -1.001 0.484 -3.065 1.00 . A A . 4 LEU HB3 1 1 1 75 1 1 4 LEU HD11 H 1.408 -1.768 -3.480 1.00 . A A . 4 LEU HD11 1 1 1 76 1 1 4 LEU HD12 H 2.599 -1.059 -2.389 1.00 . A A . 4 LEU HD12 1 1 1 77 1 1 4 LEU HD13 H 2.683 -0.731 -4.120 1.00 . A A . 4 LEU HD13 1 1 1 78 1 1 4 LEU HD21 H 1.007 0.379 -5.235 1.00 . A A . 4 LEU HD21 1 1 1 79 1 1 4 LEU HD22 H 1.778 1.789 -4.508 1.00 . A A . 4 LEU HD22 1 1 1 80 1 1 4 LEU HD23 H 0.027 1.597 -4.418 1.00 . A A . 4 LEU HD23 1 1 1 81 1 1 4 LEU HG H 1.599 0.975 -2.385 1.00 . A A . 4 LEU HG 1 1 1 82 1 1 4 LEU N N 0.038 -1.092 -0.336 1.00 . A A . 4 LEU N 1 1 1 83 1 1 4 LEU O O -2.512 -0.308 0.083 1.00 . A A . 4 LEU O 1 1 1 84 1 1 5 ARG C C -4.626 1.716 -2.443 1.00 . A A . 5 ARG C 1 1 1 85 1 1 5 ARG CA C -3.821 1.804 -1.150 1.00 . A A . 5 ARG CA 1 1 1 86 1 1 5 ARG CB C -3.883 3.226 -0.603 1.00 . A A . 5 ARG CB 1 1 1 87 1 1 5 ARG CD C -1.761 4.357 -1.115 1.00 . A A . 5 ARG CD 1 1 1 88 1 1 5 ARG CG C -3.201 4.229 -1.496 1.00 . A A . 5 ARG CG 1 1 1 89 1 1 5 ARG CZ C 0.242 5.428 -2.074 1.00 . A A . 5 ARG CZ 1 1 1 90 1 1 5 ARG H H -1.888 1.919 -2.004 1.00 . A A . 5 ARG H 1 1 1 91 1 1 5 ARG HA H -4.241 1.133 -0.424 1.00 . A A . 5 ARG HA 1 1 1 92 1 1 5 ARG HB2 H -4.915 3.526 -0.493 1.00 . A A . 5 ARG HB2 1 1 1 93 1 1 5 ARG HB3 H -3.393 3.249 0.367 1.00 . A A . 5 ARG HB3 1 1 1 94 1 1 5 ARG HD2 H -1.707 5.052 -0.309 1.00 . A A . 5 ARG HD2 1 1 1 95 1 1 5 ARG HD3 H -1.407 3.389 -0.786 1.00 . A A . 5 ARG HD3 1 1 1 96 1 1 5 ARG HE H -1.275 4.677 -3.134 1.00 . A A . 5 ARG HE 1 1 1 97 1 1 5 ARG HG2 H -3.262 3.900 -2.514 1.00 . A A . 5 ARG HG2 1 1 1 98 1 1 5 ARG HG3 H -3.683 5.189 -1.389 1.00 . A A . 5 ARG HG3 1 1 1 99 1 1 5 ARG HH11 H 0.227 5.345 -0.053 1.00 . A A . 5 ARG HH11 1 1 1 100 1 1 5 ARG HH12 H 1.621 6.094 -0.755 1.00 . A A . 5 ARG HH12 1 1 1 101 1 1 5 ARG HH21 H 0.560 5.662 -4.056 1.00 . A A . 5 ARG HH21 1 1 1 102 1 1 5 ARG HH22 H 1.811 6.275 -3.026 1.00 . A A . 5 ARG HH22 1 1 1 103 1 1 5 ARG N N -2.434 1.410 -1.370 1.00 . A A . 5 ARG N 1 1 1 104 1 1 5 ARG NE N -0.934 4.823 -2.226 1.00 . A A . 5 ARG NE 1 1 1 105 1 1 5 ARG NH1 N 0.737 5.639 -0.861 1.00 . A A . 5 ARG NH1 1 1 1 106 1 1 5 ARG NH2 N 0.927 5.820 -3.139 1.00 . A A . 5 ARG NH2 1 1 1 107 1 1 5 ARG O O -5.656 2.374 -2.588 1.00 . A A . 5 ARG O 1 1 1 108 1 1 6 HIS C C -6.301 0.418 -4.477 1.00 . A A . 6 HIS C 1 1 1 109 1 1 6 HIS CA C -4.821 0.742 -4.668 1.00 . A A . 6 HIS CA 1 1 1 110 1 1 6 HIS CB C -4.147 -0.363 -5.484 1.00 . A A . 6 HIS CB 1 1 1 111 1 1 6 HIS CD2 C -5.033 -2.779 -5.149 1.00 . A A . 6 HIS CD2 1 1 1 112 1 1 6 HIS CE1 C -3.784 -3.343 -3.438 1.00 . A A . 6 HIS CE1 1 1 1 113 1 1 6 HIS CG C -4.246 -1.717 -4.852 1.00 . A A . 6 HIS CG 1 1 1 114 1 1 6 HIS H H -3.320 0.411 -3.214 1.00 . A A . 6 HIS H 1 1 1 115 1 1 6 HIS HA H -4.735 1.676 -5.205 1.00 . A A . 6 HIS HA 1 1 1 116 1 1 6 HIS HB2 H -4.615 -0.417 -6.459 1.00 . A A . 6 HIS HB2 1 1 1 117 1 1 6 HIS HB3 H -3.096 -0.124 -5.600 1.00 . A A . 6 HIS HB3 1 1 1 118 1 1 6 HIS HD1 H -2.803 -1.551 -3.325 1.00 . A A . 6 HIS HD1 1 1 1 119 1 1 6 HIS HD2 H -5.766 -2.831 -5.942 1.00 . A A . 6 HIS HD2 1 1 1 120 1 1 6 HIS HE1 H -3.341 -3.907 -2.630 1.00 . A A . 6 HIS HE1 1 1 1 121 1 1 6 HIS HE2 H -5.073 -4.691 -4.283 1.00 . A A . 6 HIS HE2 1 1 1 122 1 1 6 HIS N N -4.148 0.906 -3.384 1.00 . A A . 6 HIS N 1 1 1 123 1 1 6 HIS ND1 N -3.476 -2.103 -3.775 1.00 . A A . 6 HIS ND1 1 1 1 124 1 1 6 HIS NE2 N -4.726 -3.775 -4.256 1.00 . A A . 6 HIS NE2 1 1 1 125 1 1 6 HIS O O -6.607 -0.504 -3.693 1.00 . A A . 6 HIS O 1 1 2 126 1 1 1 HIS C C 4.873 -1.646 3.657 1.00 . A A . 1 HIS C 1 1 2 127 1 1 1 HIS CA C 6.378 -1.773 3.518 1.00 . A A . 1 HIS CA 1 1 2 128 1 1 1 HIS CB C 6.740 -2.830 2.473 1.00 . A A . 1 HIS CB 1 1 2 129 1 1 1 HIS CD2 C 6.657 -2.613 -0.110 1.00 . A A . 1 HIS CD2 1 1 2 130 1 1 1 HIS CE1 C 8.014 -0.905 -0.332 1.00 . A A . 1 HIS CE1 1 1 2 131 1 1 1 HIS CG C 7.068 -2.256 1.130 1.00 . A A . 1 HIS CG 1 1 2 132 1 1 1 HIS H1 H 8.040 -2.096 4.688 1.00 . A A . 1 HIS H1 1 1 2 133 1 1 1 HIS H2 H 6.704 -3.112 5.045 1.00 . A A . 1 HIS H2 1 1 2 134 1 1 1 HIS H3 H 6.686 -1.466 5.529 1.00 . A A . 1 HIS H3 1 1 2 135 1 1 1 HIS HA H 6.765 -0.812 3.208 1.00 . A A . 1 HIS HA 1 1 2 136 1 1 1 HIS HB2 H 7.601 -3.385 2.815 1.00 . A A . 1 HIS HB2 1 1 2 137 1 1 1 HIS HB3 H 5.907 -3.507 2.352 1.00 . A A . 1 HIS HB3 1 1 2 138 1 1 1 HIS HD1 H 8.381 -0.699 1.671 1.00 . A A . 1 HIS HD1 1 1 2 139 1 1 1 HIS HD2 H 5.981 -3.420 -0.354 1.00 . A A . 1 HIS HD2 1 1 2 140 1 1 1 HIS HE1 H 8.609 -0.115 -0.765 1.00 . A A . 1 HIS HE1 1 1 2 141 1 1 1 HIS HE2 H 7.217 -1.830 -1.976 1.00 . A A . 1 HIS HE2 1 1 2 142 1 1 1 HIS N N 7.009 -2.145 4.812 1.00 . A A . 1 HIS N 1 1 2 143 1 1 1 HIS ND1 N 7.918 -1.184 0.956 1.00 . A A . 1 HIS ND1 1 1 2 144 1 1 1 HIS NE2 N 7.259 -1.757 -1.000 1.00 . A A . 1 HIS NE2 1 1 2 145 1 1 1 HIS O O 4.357 -1.451 4.758 1.00 . A A . 1 HIS O 1 1 2 146 1 1 2 ARG C C 2.050 -2.327 1.432 1.00 . A A . 2 ARG C 1 1 2 147 1 1 2 ARG CA C 2.724 -1.564 2.557 1.00 . A A . 2 ARG CA 1 1 2 148 1 1 2 ARG CB C 2.356 -0.082 2.459 1.00 . A A . 2 ARG CB 1 1 2 149 1 1 2 ARG CD C 3.449 2.045 1.690 1.00 . A A . 2 ARG CD 1 1 2 150 1 1 2 ARG CG C 3.582 0.789 2.537 1.00 . A A . 2 ARG CG 1 1 2 151 1 1 2 ARG CZ C 5.562 1.954 0.426 1.00 . A A . 2 ARG CZ 1 1 2 152 1 1 2 ARG H H 4.628 -1.844 1.678 1.00 . A A . 2 ARG H 1 1 2 153 1 1 2 ARG HA H 2.393 -1.926 3.492 1.00 . A A . 2 ARG HA 1 1 2 154 1 1 2 ARG HB2 H 1.846 0.107 1.512 1.00 . A A . 2 ARG HB2 1 1 2 155 1 1 2 ARG HB3 H 1.699 0.174 3.277 1.00 . A A . 2 ARG HB3 1 1 2 156 1 1 2 ARG HD2 H 2.409 2.184 1.434 1.00 . A A . 2 ARG HD2 1 1 2 157 1 1 2 ARG HD3 H 3.794 2.890 2.267 1.00 . A A . 2 ARG HD3 1 1 2 158 1 1 2 ARG HE H 3.740 1.901 -0.386 1.00 . A A . 2 ARG HE 1 1 2 159 1 1 2 ARG HG2 H 3.769 1.061 3.565 1.00 . A A . 2 ARG HG2 1 1 2 160 1 1 2 ARG HG3 H 4.400 0.201 2.179 1.00 . A A . 2 ARG HG3 1 1 2 161 1 1 2 ARG HH11 H 5.791 2.095 2.430 1.00 . A A . 2 ARG HH11 1 1 2 162 1 1 2 ARG HH12 H 7.262 2.027 1.519 1.00 . A A . 2 ARG HH12 1 1 2 163 1 1 2 ARG HH21 H 5.672 1.811 -1.587 1.00 . A A . 2 ARG HH21 1 1 2 164 1 1 2 ARG HH22 H 7.195 1.866 -0.763 1.00 . A A . 2 ARG HH22 1 1 2 165 1 1 2 ARG N N 4.167 -1.717 2.533 1.00 . A A . 2 ARG N 1 1 2 166 1 1 2 ARG NE N 4.232 1.959 0.459 1.00 . A A . 2 ARG NE 1 1 2 167 1 1 2 ARG NH1 N 6.262 2.032 1.551 1.00 . A A . 2 ARG NH1 1 1 2 168 1 1 2 ARG NH2 N 6.195 1.870 -0.737 1.00 . A A . 2 ARG NH2 1 1 2 169 1 1 2 ARG O O 2.642 -2.551 0.377 1.00 . A A . 2 ARG O 1 1 2 170 1 1 3 PHE C C -0.676 -2.290 -0.240 1.00 . A A . 3 PHE C 1 1 2 171 1 1 3 PHE CA C 0.013 -3.347 0.613 1.00 . A A . 3 PHE CA 1 1 2 172 1 1 3 PHE CB C -1.012 -4.294 1.234 1.00 . A A . 3 PHE CB 1 1 2 173 1 1 3 PHE CD1 C -1.706 -6.693 1.269 1.00 . A A . 3 PHE CD1 1 1 2 174 1 1 3 PHE CD2 C -0.494 -5.920 -0.632 1.00 . A A . 3 PHE CD2 1 1 2 175 1 1 3 PHE CE1 C -1.774 -7.958 0.716 1.00 . A A . 3 PHE CE1 1 1 2 176 1 1 3 PHE CE2 C -0.558 -7.183 -1.190 1.00 . A A . 3 PHE CE2 1 1 2 177 1 1 3 PHE CG C -1.068 -5.662 0.606 1.00 . A A . 3 PHE CG 1 1 2 178 1 1 3 PHE CZ C -1.199 -8.203 -0.515 1.00 . A A . 3 PHE CZ 1 1 2 179 1 1 3 PHE H H 0.354 -2.427 2.485 1.00 . A A . 3 PHE H 1 1 2 180 1 1 3 PHE HA H 0.692 -3.900 -0.001 1.00 . A A . 3 PHE HA 1 1 2 181 1 1 3 PHE HB2 H -0.777 -4.426 2.283 1.00 . A A . 3 PHE HB2 1 1 2 182 1 1 3 PHE HB3 H -1.990 -3.853 1.141 1.00 . A A . 3 PHE HB3 1 1 2 183 1 1 3 PHE HD1 H -2.157 -6.498 2.229 1.00 . A A . 3 PHE HD1 1 1 2 184 1 1 3 PHE HD2 H 0.006 -5.125 -1.163 1.00 . A A . 3 PHE HD2 1 1 2 185 1 1 3 PHE HE1 H -2.276 -8.754 1.247 1.00 . A A . 3 PHE HE1 1 1 2 186 1 1 3 PHE HE2 H -0.107 -7.372 -2.153 1.00 . A A . 3 PHE HE2 1 1 2 187 1 1 3 PHE HZ H -1.250 -9.191 -0.949 1.00 . A A . 3 PHE HZ 1 1 2 188 1 1 3 PHE N N 0.787 -2.671 1.640 1.00 . A A . 3 PHE N 1 1 2 189 1 1 3 PHE O O -1.748 -2.511 -0.803 1.00 . A A . 3 PHE O 1 1 2 190 1 1 4 LEU C C -1.974 0.323 -0.701 1.00 . A A . 4 LEU C 1 1 2 191 1 1 4 LEU CA C -0.519 0.017 -1.048 1.00 . A A . 4 LEU CA 1 1 2 192 1 1 4 LEU CB C -0.373 -0.216 -2.553 1.00 . A A . 4 LEU CB 1 1 2 193 1 1 4 LEU CD1 C 1.659 -1.612 -3.003 1.00 . A A . 4 LEU CD1 1 1 2 194 1 1 4 LEU CD2 C 1.116 0.319 -4.497 1.00 . A A . 4 LEU CD2 1 1 2 195 1 1 4 LEU CG C 1.065 -0.214 -3.073 1.00 . A A . 4 LEU CG 1 1 2 196 1 1 4 LEU H H 0.811 -1.037 0.179 1.00 . A A . 4 LEU H 1 1 2 197 1 1 4 LEU HA H 0.095 0.861 -0.758 1.00 . A A . 4 LEU HA 1 1 2 198 1 1 4 LEU HB2 H -0.820 -1.170 -2.793 1.00 . A A . 4 LEU HB2 1 1 2 199 1 1 4 LEU HB3 H -0.920 0.559 -3.071 1.00 . A A . 4 LEU HB3 1 1 2 200 1 1 4 LEU HD11 H 0.867 -2.343 -3.066 1.00 . A A . 4 LEU HD11 1 1 2 201 1 1 4 LEU HD12 H 2.187 -1.733 -2.069 1.00 . A A . 4 LEU HD12 1 1 2 202 1 1 4 LEU HD13 H 2.345 -1.753 -3.826 1.00 . A A . 4 LEU HD13 1 1 2 203 1 1 4 LEU HD21 H 2.076 0.780 -4.675 1.00 . A A . 4 LEU HD21 1 1 2 204 1 1 4 LEU HD22 H 0.334 1.051 -4.635 1.00 . A A . 4 LEU HD22 1 1 2 205 1 1 4 LEU HD23 H 0.973 -0.495 -5.191 1.00 . A A . 4 LEU HD23 1 1 2 206 1 1 4 LEU HG H 1.665 0.434 -2.451 1.00 . A A . 4 LEU HG 1 1 2 207 1 1 4 LEU N N -0.030 -1.128 -0.303 1.00 . A A . 4 LEU N 1 1 2 208 1 1 4 LEU O O -2.587 -0.365 0.115 1.00 . A A . 4 LEU O 1 1 2 209 1 1 5 ARG C C -4.761 1.523 -2.335 1.00 . A A . 5 ARG C 1 1 2 210 1 1 5 ARG CA C -3.903 1.755 -1.093 1.00 . A A . 5 ARG CA 1 1 2 211 1 1 5 ARG CB C -3.969 3.225 -0.688 1.00 . A A . 5 ARG CB 1 1 2 212 1 1 5 ARG CD C -1.825 4.316 -1.220 1.00 . A A . 5 ARG CD 1 1 2 213 1 1 5 ARG CG C -3.247 4.136 -1.649 1.00 . A A . 5 ARG CG 1 1 2 214 1 1 5 ARG CZ C 0.202 5.361 -2.156 1.00 . A A . 5 ARG CZ 1 1 2 215 1 1 5 ARG H H -1.980 1.866 -1.971 1.00 . A A . 5 ARG H 1 1 2 216 1 1 5 ARG HA H -4.281 1.156 -0.286 1.00 . A A . 5 ARG HA 1 1 2 217 1 1 5 ARG HB2 H -5.002 3.539 -0.643 1.00 . A A . 5 ARG HB2 1 1 2 218 1 1 5 ARG HB3 H -3.513 3.337 0.292 1.00 . A A . 5 ARG HB3 1 1 2 219 1 1 5 ARG HD2 H -1.815 5.056 -0.452 1.00 . A A . 5 ARG HD2 1 1 2 220 1 1 5 ARG HD3 H -1.463 3.377 -0.825 1.00 . A A . 5 ARG HD3 1 1 2 221 1 1 5 ARG HE H -1.274 4.555 -3.234 1.00 . A A . 5 ARG HE 1 1 2 222 1 1 5 ARG HG2 H -3.260 3.703 -2.629 1.00 . A A . 5 ARG HG2 1 1 2 223 1 1 5 ARG HG3 H -3.737 5.098 -1.665 1.00 . A A . 5 ARG HG3 1 1 2 224 1 1 5 ARG HH11 H 0.119 5.361 -0.135 1.00 . A A . 5 ARG HH11 1 1 2 225 1 1 5 ARG HH12 H 1.532 6.092 -0.820 1.00 . A A . 5 ARG HH12 1 1 2 226 1 1 5 ARG HH21 H 0.584 5.516 -4.134 1.00 . A A . 5 ARG HH21 1 1 2 227 1 1 5 ARG HH22 H 1.796 6.180 -3.089 1.00 . A A . 5 ARG HH22 1 1 2 228 1 1 5 ARG N N -2.520 1.358 -1.330 1.00 . A A . 5 ARG N 1 1 2 229 1 1 5 ARG NE N -0.965 4.741 -2.321 1.00 . A A . 5 ARG NE 1 1 2 230 1 1 5 ARG NH1 N 0.654 5.626 -0.937 1.00 . A A . 5 ARG NH1 1 1 2 231 1 1 5 ARG NH2 N 0.920 5.714 -3.213 1.00 . A A . 5 ARG NH2 1 1 2 232 1 1 5 ARG O O -5.990 1.536 -2.262 1.00 . A A . 5 ARG O 1 1 2 233 1 1 6 HIS C C -5.934 0.080 -4.576 1.00 . A A . 6 HIS C 1 1 2 234 1 1 6 HIS CA C -4.800 1.091 -4.739 1.00 . A A . 6 HIS CA 1 1 2 235 1 1 6 HIS CB C -3.813 0.602 -5.802 1.00 . A A . 6 HIS CB 1 1 2 236 1 1 6 HIS CD2 C -3.829 -1.989 -5.650 1.00 . A A . 6 HIS CD2 1 1 2 237 1 1 6 HIS CE1 C -1.782 -2.280 -4.923 1.00 . A A . 6 HIS CE1 1 1 2 238 1 1 6 HIS CG C -3.263 -0.764 -5.529 1.00 . A A . 6 HIS CG 1 1 2 239 1 1 6 HIS H H -3.125 1.325 -3.472 1.00 . A A . 6 HIS H 1 1 2 240 1 1 6 HIS HA H -5.217 2.034 -5.058 1.00 . A A . 6 HIS HA 1 1 2 241 1 1 6 HIS HB2 H -4.313 0.572 -6.763 1.00 . A A . 6 HIS HB2 1 1 2 242 1 1 6 HIS HB3 H -2.978 1.293 -5.851 1.00 . A A . 6 HIS HB3 1 1 2 243 1 1 6 HIS HD1 H -1.315 -0.288 -4.882 1.00 . A A . 6 HIS HD1 1 1 2 244 1 1 6 HIS HD2 H -4.835 -2.199 -5.985 1.00 . A A . 6 HIS HD2 1 1 2 245 1 1 6 HIS HE1 H -0.869 -2.744 -4.579 1.00 . A A . 6 HIS HE1 1 1 2 246 1 1 6 HIS HE2 H -2.983 -3.885 -5.340 1.00 . A A . 6 HIS HE2 1 1 2 247 1 1 6 HIS N N -4.104 1.318 -3.477 1.00 . A A . 6 HIS N 1 1 2 248 1 1 6 HIS ND1 N -1.980 -0.982 -5.070 1.00 . A A . 6 HIS ND1 1 1 2 249 1 1 6 HIS NE2 N -2.888 -2.912 -5.268 1.00 . A A . 6 HIS NE2 1 1 2 250 1 1 6 HIS O O -5.916 -0.672 -3.580 1.00 . A A . 6 HIS O 1 1 3 251 1 1 1 HIS C C 4.871 -1.621 3.649 1.00 . A A . 1 HIS C 1 1 3 252 1 1 1 HIS CA C 6.378 -1.686 3.481 1.00 . A A . 1 HIS CA 1 1 3 253 1 1 1 HIS CB C 6.761 -2.669 2.374 1.00 . A A . 1 HIS CB 1 1 3 254 1 1 1 HIS CD2 C 6.754 -2.435 -0.209 1.00 . A A . 1 HIS CD2 1 1 3 255 1 1 1 HIS CE1 C 7.679 -0.452 -0.353 1.00 . A A . 1 HIS CE1 1 1 3 256 1 1 1 HIS CG C 7.010 -2.013 1.052 1.00 . A A . 1 HIS CG 1 1 3 257 1 1 1 HIS H1 H 6.565 -1.622 5.529 1.00 . A A . 1 HIS H1 1 1 3 258 1 1 1 HIS H2 H 8.043 -1.826 4.681 1.00 . A A . 1 HIS H2 1 1 3 259 1 1 1 HIS H3 H 6.945 -3.137 4.824 1.00 . A A . 1 HIS H3 1 1 3 260 1 1 1 HIS HA H 6.724 -0.696 3.220 1.00 . A A . 1 HIS HA 1 1 3 261 1 1 1 HIS HB2 H 7.662 -3.190 2.660 1.00 . A A . 1 HIS HB2 1 1 3 262 1 1 1 HIS HB3 H 5.962 -3.385 2.246 1.00 . A A . 1 HIS HB3 1 1 3 263 1 1 1 HIS HD1 H 7.890 -0.199 1.667 1.00 . A A . 1 HIS HD1 1 1 3 264 1 1 1 HIS HD2 H 6.300 -3.374 -0.491 1.00 . A A . 1 HIS HD2 1 1 3 265 1 1 1 HIS HE1 H 8.091 0.463 -0.751 1.00 . A A . 1 HIS HE1 1 1 3 266 1 1 1 HIS HE2 H 7.048 -1.438 -2.034 1.00 . A A . 1 HIS HE2 1 1 3 267 1 1 1 HIS N N 7.043 -2.106 4.742 1.00 . A A . 1 HIS N 1 1 3 268 1 1 1 HIS ND1 N 7.590 -0.768 0.927 1.00 . A A . 1 HIS ND1 1 1 3 269 1 1 1 HIS NE2 N 7.180 -1.447 -1.063 1.00 . A A . 1 HIS NE2 1 1 3 270 1 1 1 HIS O O 4.369 -1.488 4.765 1.00 . A A . 1 HIS O 1 1 3 271 1 1 2 ARG C C 2.034 -2.344 1.468 1.00 . A A . 2 ARG C 1 1 3 272 1 1 2 ARG CA C 2.703 -1.571 2.588 1.00 . A A . 2 ARG CA 1 1 3 273 1 1 2 ARG CB C 2.284 -0.102 2.517 1.00 . A A . 2 ARG CB 1 1 3 274 1 1 2 ARG CD C 3.301 2.109 1.883 1.00 . A A . 2 ARG CD 1 1 3 275 1 1 2 ARG CG C 3.476 0.811 2.653 1.00 . A A . 2 ARG CG 1 1 3 276 1 1 2 ARG CZ C 4.522 3.337 0.130 1.00 . A A . 2 ARG CZ 1 1 3 277 1 1 2 ARG H H 4.598 -1.747 1.667 1.00 . A A . 2 ARG H 1 1 3 278 1 1 2 ARG HA H 2.402 -1.955 3.526 1.00 . A A . 2 ARG HA 1 1 3 279 1 1 2 ARG HB2 H 1.795 0.094 1.559 1.00 . A A . 2 ARG HB2 1 1 3 280 1 1 2 ARG HB3 H 1.595 0.111 3.321 1.00 . A A . 2 ARG HB3 1 1 3 281 1 1 2 ARG HD2 H 2.285 2.166 1.524 1.00 . A A . 2 ARG HD2 1 1 3 282 1 1 2 ARG HD3 H 3.493 2.937 2.551 1.00 . A A . 2 ARG HD3 1 1 3 283 1 1 2 ARG HE H 4.614 1.365 0.421 1.00 . A A . 2 ARG HE 1 1 3 284 1 1 2 ARG HG2 H 3.648 1.027 3.696 1.00 . A A . 2 ARG HG2 1 1 3 285 1 1 2 ARG HG3 H 4.318 0.277 2.268 1.00 . A A . 2 ARG HG3 1 1 3 286 1 1 2 ARG HH11 H 3.362 4.498 1.313 1.00 . A A . 2 ARG HH11 1 1 3 287 1 1 2 ARG HH12 H 4.233 5.337 0.074 1.00 . A A . 2 ARG HH12 1 1 3 288 1 1 2 ARG HH21 H 5.760 2.467 -1.209 1.00 . A A . 2 ARG HH21 1 1 3 289 1 1 2 ARG HH22 H 5.593 4.184 -1.359 1.00 . A A . 2 ARG HH22 1 1 3 290 1 1 2 ARG N N 4.149 -1.672 2.535 1.00 . A A . 2 ARG N 1 1 3 291 1 1 2 ARG NE N 4.212 2.198 0.745 1.00 . A A . 2 ARG NE 1 1 3 292 1 1 2 ARG NH1 N 3.995 4.485 0.539 1.00 . A A . 2 ARG NH1 1 1 3 293 1 1 2 ARG NH2 N 5.360 3.329 -0.897 1.00 . A A . 2 ARG NH2 1 1 3 294 1 1 2 ARG O O 2.623 -2.560 0.409 1.00 . A A . 2 ARG O 1 1 3 295 1 1 3 PHE C C -0.675 -2.347 -0.210 1.00 . A A . 3 PHE C 1 1 3 296 1 1 3 PHE CA C 0.009 -3.393 0.659 1.00 . A A . 3 PHE CA 1 1 3 297 1 1 3 PHE CB C -1.020 -4.332 1.287 1.00 . A A . 3 PHE CB 1 1 3 298 1 1 3 PHE CD1 C -1.673 -6.738 1.401 1.00 . A A . 3 PHE CD1 1 1 3 299 1 1 3 PHE CD2 C -0.440 -6.019 -0.507 1.00 . A A . 3 PHE CD2 1 1 3 300 1 1 3 PHE CE1 C -1.711 -8.024 0.898 1.00 . A A . 3 PHE CE1 1 1 3 301 1 1 3 PHE CE2 C -0.473 -7.304 -1.016 1.00 . A A . 3 PHE CE2 1 1 3 302 1 1 3 PHE CG C -1.040 -5.723 0.711 1.00 . A A . 3 PHE CG 1 1 3 303 1 1 3 PHE CZ C -1.109 -8.308 -0.313 1.00 . A A . 3 PHE CZ 1 1 3 304 1 1 3 PHE H H 0.344 -2.467 2.529 1.00 . A A . 3 PHE H 1 1 3 305 1 1 3 PHE HA H 0.691 -3.954 0.055 1.00 . A A . 3 PHE HA 1 1 3 306 1 1 3 PHE HB2 H -0.813 -4.421 2.346 1.00 . A A . 3 PHE HB2 1 1 3 307 1 1 3 PHE HB3 H -2.002 -3.909 1.150 1.00 . A A . 3 PHE HB3 1 1 3 308 1 1 3 PHE HD1 H -2.144 -6.513 2.345 1.00 . A A . 3 PHE HD1 1 1 3 309 1 1 3 PHE HD2 H 0.056 -5.236 -1.060 1.00 . A A . 3 PHE HD2 1 1 3 310 1 1 3 PHE HE1 H -2.209 -8.807 1.450 1.00 . A A . 3 PHE HE1 1 1 3 311 1 1 3 PHE HE2 H -0.002 -7.522 -1.963 1.00 . A A . 3 PHE HE2 1 1 3 312 1 1 3 PHE HZ H -1.137 -9.312 -0.708 1.00 . A A . 3 PHE HZ 1 1 3 313 1 1 3 PHE N N 0.777 -2.706 1.683 1.00 . A A . 3 PHE N 1 1 3 314 1 1 3 PHE O O -1.742 -2.577 -0.779 1.00 . A A . 3 PHE O 1 1 3 315 1 1 4 LEU C C -1.973 0.262 -0.701 1.00 . A A . 4 LEU C 1 1 3 316 1 1 4 LEU CA C -0.519 -0.050 -1.043 1.00 . A A . 4 LEU CA 1 1 3 317 1 1 4 LEU CB C -0.372 -0.305 -2.544 1.00 . A A . 4 LEU CB 1 1 3 318 1 1 4 LEU CD1 C 1.645 -1.724 -2.995 1.00 . A A . 4 LEU CD1 1 1 3 319 1 1 4 LEU CD2 C 1.126 0.216 -4.485 1.00 . A A . 4 LEU CD2 1 1 3 320 1 1 4 LEU CG C 1.067 -0.319 -3.062 1.00 . A A . 4 LEU CG 1 1 3 321 1 1 4 LEU H H 0.806 -1.086 0.205 1.00 . A A . 4 LEU H 1 1 3 322 1 1 4 LEU HA H 0.097 0.797 -0.765 1.00 . A A . 4 LEU HA 1 1 3 323 1 1 4 LEU HB2 H -0.824 -1.260 -2.771 1.00 . A A . 4 LEU HB2 1 1 3 324 1 1 4 LEU HB3 H -0.914 0.465 -3.073 1.00 . A A . 4 LEU HB3 1 1 3 325 1 1 4 LEU HD11 H 2.171 -1.853 -2.060 1.00 . A A . 4 LEU HD11 1 1 3 326 1 1 4 LEU HD12 H 2.330 -1.872 -3.817 1.00 . A A . 4 LEU HD12 1 1 3 327 1 1 4 LEU HD13 H 0.844 -2.446 -3.060 1.00 . A A . 4 LEU HD13 1 1 3 328 1 1 4 LEU HD21 H 0.176 0.050 -4.972 1.00 . A A . 4 LEU HD21 1 1 3 329 1 1 4 LEU HD22 H 1.904 -0.297 -5.031 1.00 . A A . 4 LEU HD22 1 1 3 330 1 1 4 LEU HD23 H 1.339 1.275 -4.464 1.00 . A A . 4 LEU HD23 1 1 3 331 1 1 4 LEU HG H 1.674 0.322 -2.438 1.00 . A A . 4 LEU HG 1 1 3 332 1 1 4 LEU N N -0.032 -1.185 -0.282 1.00 . A A . 4 LEU N 1 1 3 333 1 1 4 LEU O O -2.591 -0.422 0.115 1.00 . A A . 4 LEU O 1 1 3 334 1 1 5 ARG C C -4.742 1.548 -2.351 1.00 . A A . 5 ARG C 1 1 3 335 1 1 5 ARG CA C -3.892 1.709 -1.092 1.00 . A A . 5 ARG CA 1 1 3 336 1 1 5 ARG CB C -3.940 3.159 -0.622 1.00 . A A . 5 ARG CB 1 1 3 337 1 1 5 ARG CD C -1.773 4.233 -1.095 1.00 . A A . 5 ARG CD 1 1 3 338 1 1 5 ARG CG C -3.197 4.101 -1.535 1.00 . A A . 5 ARG CG 1 1 3 339 1 1 5 ARG CZ C 0.277 5.287 -1.968 1.00 . A A . 5 ARG CZ 1 1 3 340 1 1 5 ARG H H -1.967 1.808 -1.967 1.00 . A A . 5 ARG H 1 1 3 341 1 1 5 ARG HA H -4.289 1.080 -0.316 1.00 . A A . 5 ARG HA 1 1 3 342 1 1 5 ARG HB2 H -4.969 3.486 -0.571 1.00 . A A . 5 ARG HB2 1 1 3 343 1 1 5 ARG HB3 H -3.490 3.221 0.366 1.00 . A A . 5 ARG HB3 1 1 3 344 1 1 5 ARG HD2 H -1.753 4.926 -0.285 1.00 . A A . 5 ARG HD2 1 1 3 345 1 1 5 ARG HD3 H -1.427 3.266 -0.755 1.00 . A A . 5 ARG HD3 1 1 3 346 1 1 5 ARG HE H -1.219 4.586 -3.090 1.00 . A A . 5 ARG HE 1 1 3 347 1 1 5 ARG HG2 H -3.215 3.715 -2.534 1.00 . A A . 5 ARG HG2 1 1 3 348 1 1 5 ARG HG3 H -3.668 5.072 -1.506 1.00 . A A . 5 ARG HG3 1 1 3 349 1 1 5 ARG HH11 H 0.193 5.165 0.049 1.00 . A A . 5 ARG HH11 1 1 3 350 1 1 5 ARG HH12 H 1.623 5.902 -0.591 1.00 . A A . 5 ARG HH12 1 1 3 351 1 1 5 ARG HH21 H 0.662 5.556 -3.934 1.00 . A A . 5 ARG HH21 1 1 3 352 1 1 5 ARG HH22 H 1.890 6.124 -2.852 1.00 . A A . 5 ARG HH22 1 1 3 353 1 1 5 ARG N N -2.512 1.302 -1.329 1.00 . A A . 5 ARG N 1 1 3 354 1 1 5 ARG NE N -0.905 4.707 -2.169 1.00 . A A . 5 ARG NE 1 1 3 355 1 1 5 ARG NH1 N 0.735 5.466 -0.735 1.00 . A A . 5 ARG NH1 1 1 3 356 1 1 5 ARG NH2 N 1.002 5.688 -3.003 1.00 . A A . 5 ARG NH2 1 1 3 357 1 1 5 ARG O O -5.969 1.630 -2.294 1.00 . A A . 5 ARG O 1 1 3 358 1 1 6 HIS C C -5.976 0.226 -4.627 1.00 . A A . 6 HIS C 1 1 3 359 1 1 6 HIS CA C -4.778 1.164 -4.763 1.00 . A A . 6 HIS CA 1 1 3 360 1 1 6 HIS CB C -3.813 0.629 -5.825 1.00 . A A . 6 HIS CB 1 1 3 361 1 1 6 HIS CD2 C -3.280 -1.842 -6.417 1.00 . A A . 6 HIS CD2 1 1 3 362 1 1 6 HIS CE1 C -2.623 -2.512 -4.436 1.00 . A A . 6 HIS CE1 1 1 3 363 1 1 6 HIS CG C -3.369 -0.781 -5.579 1.00 . A A . 6 HIS CG 1 1 3 364 1 1 6 HIS H H -3.106 1.278 -3.473 1.00 . A A . 6 HIS H 1 1 3 365 1 1 6 HIS HA H -5.130 2.137 -5.071 1.00 . A A . 6 HIS HA 1 1 3 366 1 1 6 HIS HB2 H -4.301 0.658 -6.792 1.00 . A A . 6 HIS HB2 1 1 3 367 1 1 6 HIS HB3 H -2.930 1.257 -5.847 1.00 . A A . 6 HIS HB3 1 1 3 368 1 1 6 HIS HD1 H -2.902 -0.701 -3.525 1.00 . A A . 6 HIS HD1 1 1 3 369 1 1 6 HIS HD2 H -3.529 -1.850 -7.469 1.00 . A A . 6 HIS HD2 1 1 3 370 1 1 6 HIS HE1 H -2.261 -3.130 -3.627 1.00 . A A . 6 HIS HE1 1 1 3 371 1 1 6 HIS HE2 H -2.728 -3.825 -6.003 1.00 . A A . 6 HIS HE2 1 1 3 372 1 1 6 HIS N N -4.084 1.327 -3.489 1.00 . A A . 6 HIS N 1 1 3 373 1 1 6 HIS ND1 N -2.951 -1.235 -4.345 1.00 . A A . 6 HIS ND1 1 1 3 374 1 1 6 HIS NE2 N -2.814 -2.903 -5.681 1.00 . A A . 6 HIS NE2 1 1 3 375 1 1 6 HIS O O -5.914 -0.693 -3.784 1.00 . A A . 6 HIS O 1 1 4 376 1 1 1 HIS C C 4.848 -1.662 3.689 1.00 . A A . 1 HIS C 1 1 4 377 1 1 1 HIS CA C 6.356 -1.789 3.574 1.00 . A A . 1 HIS CA 1 1 4 378 1 1 1 HIS CB C 6.737 -2.800 2.490 1.00 . A A . 1 HIS CB 1 1 4 379 1 1 1 HIS CD2 C 6.923 -2.434 -0.072 1.00 . A A . 1 HIS CD2 1 1 4 380 1 1 1 HIS CE1 C 8.353 -0.772 -0.055 1.00 . A A . 1 HIS CE1 1 1 4 381 1 1 1 HIS CG C 7.219 -2.165 1.222 1.00 . A A . 1 HIS CG 1 1 4 382 1 1 1 HIS H1 H 7.972 -1.987 4.833 1.00 . A A . 1 HIS H1 1 1 4 383 1 1 1 HIS H2 H 6.815 -3.250 4.949 1.00 . A A . 1 HIS H2 1 1 4 384 1 1 1 HIS H3 H 6.478 -1.709 5.627 1.00 . A A . 1 HIS H3 1 1 4 385 1 1 1 HIS HA H 6.753 -0.817 3.316 1.00 . A A . 1 HIS HA 1 1 4 386 1 1 1 HIS HB2 H 7.526 -3.437 2.862 1.00 . A A . 1 HIS HB2 1 1 4 387 1 1 1 HIS HB3 H 5.875 -3.406 2.252 1.00 . A A . 1 HIS HB3 1 1 4 388 1 1 1 HIS HD1 H 8.522 -0.694 1.983 1.00 . A A . 1 HIS HD1 1 1 4 389 1 1 1 HIS HD2 H 6.248 -3.199 -0.429 1.00 . A A . 1 HIS HD2 1 1 4 390 1 1 1 HIS HE1 H 9.016 0.017 -0.378 1.00 . A A . 1 HIS HE1 1 1 4 391 1 1 1 HIS HE2 H 7.560 -1.453 -1.815 1.00 . A A . 1 HIS HE2 1 1 4 392 1 1 1 HIS N N 6.960 -2.223 4.862 1.00 . A A . 1 HIS N 1 1 4 393 1 1 1 HIS ND1 N 8.118 -1.120 1.198 1.00 . A A . 1 HIS ND1 1 1 4 394 1 1 1 HIS NE2 N 7.641 -1.555 -0.844 1.00 . A A . 1 HIS NE2 1 1 4 395 1 1 1 HIS O O 4.314 -1.488 4.785 1.00 . A A . 1 HIS O 1 1 4 396 1 1 2 ARG C C 2.061 -2.296 1.410 1.00 . A A . 2 ARG C 1 1 4 397 1 1 2 ARG CA C 2.719 -1.549 2.555 1.00 . A A . 2 ARG CA 1 1 4 398 1 1 2 ARG CB C 2.356 -0.065 2.471 1.00 . A A . 2 ARG CB 1 1 4 399 1 1 2 ARG CD C 3.475 2.070 1.755 1.00 . A A . 2 ARG CD 1 1 4 400 1 1 2 ARG CG C 3.584 0.801 2.585 1.00 . A A . 2 ARG CG 1 1 4 401 1 1 2 ARG CZ C 4.195 2.825 -0.478 1.00 . A A . 2 ARG CZ 1 1 4 402 1 1 2 ARG H H 4.635 -1.817 1.703 1.00 . A A . 2 ARG H 1 1 4 403 1 1 2 ARG HA H 2.370 -1.922 3.480 1.00 . A A . 2 ARG HA 1 1 4 404 1 1 2 ARG HB2 H 1.865 0.140 1.516 1.00 . A A . 2 ARG HB2 1 1 4 405 1 1 2 ARG HB3 H 1.684 0.183 3.279 1.00 . A A . 2 ARG HB3 1 1 4 406 1 1 2 ARG HD2 H 2.452 2.185 1.428 1.00 . A A . 2 ARG HD2 1 1 4 407 1 1 2 ARG HD3 H 3.751 2.912 2.372 1.00 . A A . 2 ARG HD3 1 1 4 408 1 1 2 ARG HE H 5.082 1.387 0.585 1.00 . A A . 2 ARG HE 1 1 4 409 1 1 2 ARG HG2 H 3.752 1.056 3.621 1.00 . A A . 2 ARG HG2 1 1 4 410 1 1 2 ARG HG3 H 4.407 0.215 2.235 1.00 . A A . 2 ARG HG3 1 1 4 411 1 1 2 ARG HH11 H 2.574 3.792 0.250 1.00 . A A . 2 ARG HH11 1 1 4 412 1 1 2 ARG HH12 H 3.102 4.304 -1.318 1.00 . A A . 2 ARG HH12 1 1 4 413 1 1 2 ARG HH21 H 5.777 2.061 -1.477 1.00 . A A . 2 ARG HH21 1 1 4 414 1 1 2 ARG HH22 H 4.919 3.322 -2.298 1.00 . A A . 2 ARG HH22 1 1 4 415 1 1 2 ARG N N 4.161 -1.707 2.553 1.00 . A A . 2 ARG N 1 1 4 416 1 1 2 ARG NE N 4.346 2.034 0.583 1.00 . A A . 2 ARG NE 1 1 4 417 1 1 2 ARG NH1 N 3.209 3.713 -0.518 1.00 . A A . 2 ARG NH1 1 1 4 418 1 1 2 ARG NH2 N 5.032 2.728 -1.501 1.00 . A A . 2 ARG NH2 1 1 4 419 1 1 2 ARG O O 2.663 -2.488 0.353 1.00 . A A . 2 ARG O 1 1 4 420 1 1 3 PHE C C -0.641 -2.262 -0.289 1.00 . A A . 3 PHE C 1 1 4 421 1 1 3 PHE CA C 0.047 -3.328 0.554 1.00 . A A . 3 PHE CA 1 1 4 422 1 1 3 PHE CB C -0.978 -4.296 1.146 1.00 . A A . 3 PHE CB 1 1 4 423 1 1 3 PHE CD1 C -1.619 -6.709 1.167 1.00 . A A . 3 PHE CD1 1 1 4 424 1 1 3 PHE CD2 C -0.374 -5.915 -0.703 1.00 . A A . 3 PHE CD2 1 1 4 425 1 1 3 PHE CE1 C -1.645 -7.977 0.616 1.00 . A A . 3 PHE CE1 1 1 4 426 1 1 3 PHE CE2 C -0.396 -7.180 -1.259 1.00 . A A . 3 PHE CE2 1 1 4 427 1 1 3 PHE CG C -0.986 -5.666 0.520 1.00 . A A . 3 PHE CG 1 1 4 428 1 1 3 PHE CZ C -1.032 -8.212 -0.599 1.00 . A A . 3 PHE CZ 1 1 4 429 1 1 3 PHE H H 0.360 -2.446 2.449 1.00 . A A . 3 PHE H 1 1 4 430 1 1 3 PHE HA H 0.737 -3.865 -0.062 1.00 . A A . 3 PHE HA 1 1 4 431 1 1 3 PHE HB2 H -0.773 -4.421 2.202 1.00 . A A . 3 PHE HB2 1 1 4 432 1 1 3 PHE HB3 H -1.962 -3.875 1.022 1.00 . A A . 3 PHE HB3 1 1 4 433 1 1 3 PHE HD1 H -2.100 -6.522 2.115 1.00 . A A . 3 PHE HD1 1 1 4 434 1 1 3 PHE HD2 H 0.122 -5.109 -1.222 1.00 . A A . 3 PHE HD2 1 1 4 435 1 1 3 PHE HE1 H -2.144 -8.782 1.135 1.00 . A A . 3 PHE HE1 1 1 4 436 1 1 3 PHE HE2 H 0.084 -7.360 -2.209 1.00 . A A . 3 PHE HE2 1 1 4 437 1 1 3 PHE HZ H -1.051 -9.202 -1.031 1.00 . A A . 3 PHE HZ 1 1 4 438 1 1 3 PHE N N 0.802 -2.665 1.602 1.00 . A A . 3 PHE N 1 1 4 439 1 1 3 PHE O O -1.712 -2.476 -0.855 1.00 . A A . 3 PHE O 1 1 4 440 1 1 4 LEU C C -1.937 0.359 -0.720 1.00 . A A . 4 LEU C 1 1 4 441 1 1 4 LEU CA C -0.483 0.053 -1.073 1.00 . A A . 4 LEU CA 1 1 4 442 1 1 4 LEU CB C -0.336 -0.164 -2.580 1.00 . A A . 4 LEU CB 1 1 4 443 1 1 4 LEU CD1 C 1.685 -1.591 -2.987 1.00 . A A . 4 LEU CD1 1 1 4 444 1 1 4 LEU CD2 C 1.167 0.310 -4.528 1.00 . A A . 4 LEU CD2 1 1 4 445 1 1 4 LEU CG C 1.105 -0.189 -3.092 1.00 . A A . 4 LEU CG 1 1 4 446 1 1 4 LEU H H 0.846 -1.013 0.145 1.00 . A A . 4 LEU H 1 1 4 447 1 1 4 LEU HA H 0.133 0.893 -0.773 1.00 . A A . 4 LEU HA 1 1 4 448 1 1 4 LEU HB2 H -0.803 -1.105 -2.833 1.00 . A A . 4 LEU HB2 1 1 4 449 1 1 4 LEU HB3 H -0.862 0.629 -3.090 1.00 . A A . 4 LEU HB3 1 1 4 450 1 1 4 LEU HD11 H 2.716 -1.579 -3.308 1.00 . A A . 4 LEU HD11 1 1 4 451 1 1 4 LEU HD12 H 1.119 -2.262 -3.615 1.00 . A A . 4 LEU HD12 1 1 4 452 1 1 4 LEU HD13 H 1.631 -1.926 -1.961 1.00 . A A . 4 LEU HD13 1 1 4 453 1 1 4 LEU HD21 H 0.590 1.219 -4.619 1.00 . A A . 4 LEU HD21 1 1 4 454 1 1 4 LEU HD22 H 0.760 -0.442 -5.188 1.00 . A A . 4 LEU HD22 1 1 4 455 1 1 4 LEU HD23 H 2.194 0.508 -4.797 1.00 . A A . 4 LEU HD23 1 1 4 456 1 1 4 LEU HG H 1.708 0.469 -2.483 1.00 . A A . 4 LEU HG 1 1 4 457 1 1 4 LEU N N 0.006 -1.099 -0.339 1.00 . A A . 4 LEU N 1 1 4 458 1 1 4 LEU O O -2.541 -0.321 0.109 1.00 . A A . 4 LEU O 1 1 4 459 1 1 5 ARG C C -4.747 1.556 -2.338 1.00 . A A . 5 ARG C 1 1 4 460 1 1 5 ARG CA C -3.872 1.786 -1.107 1.00 . A A . 5 ARG CA 1 1 4 461 1 1 5 ARG CB C -3.932 3.256 -0.702 1.00 . A A . 5 ARG CB 1 1 4 462 1 1 5 ARG CD C -1.800 4.348 -1.280 1.00 . A A . 5 ARG CD 1 1 4 463 1 1 5 ARG CG C -3.231 4.167 -1.679 1.00 . A A . 5 ARG CG 1 1 4 464 1 1 5 ARG CZ C 0.207 5.391 -2.262 1.00 . A A . 5 ARG CZ 1 1 4 465 1 1 5 ARG H H -1.957 1.892 -2.004 1.00 . A A . 5 ARG H 1 1 4 466 1 1 5 ARG HA H -4.243 1.189 -0.294 1.00 . A A . 5 ARG HA 1 1 4 467 1 1 5 ARG HB2 H -4.963 3.569 -0.636 1.00 . A A . 5 ARG HB2 1 1 4 468 1 1 5 ARG HB3 H -3.455 3.370 0.269 1.00 . A A . 5 ARG HB3 1 1 4 469 1 1 5 ARG HD2 H -1.774 5.090 -0.514 1.00 . A A . 5 ARG HD2 1 1 4 470 1 1 5 ARG HD3 H -1.431 3.409 -0.890 1.00 . A A . 5 ARG HD3 1 1 4 471 1 1 5 ARG HE H -1.291 4.580 -3.305 1.00 . A A . 5 ARG HE 1 1 4 472 1 1 5 ARG HG2 H -3.264 3.733 -2.657 1.00 . A A . 5 ARG HG2 1 1 4 473 1 1 5 ARG HG3 H -3.721 5.128 -1.685 1.00 . A A . 5 ARG HG3 1 1 4 474 1 1 5 ARG HH11 H 0.165 5.400 -0.239 1.00 . A A . 5 ARG HH11 1 1 4 475 1 1 5 ARG HH12 H 1.563 6.128 -0.956 1.00 . A A . 5 ARG HH12 1 1 4 476 1 1 5 ARG HH21 H 0.548 5.539 -4.248 1.00 . A A . 5 ARG HH21 1 1 4 477 1 1 5 ARG HH22 H 1.780 6.207 -3.231 1.00 . A A . 5 ARG HH22 1 1 4 478 1 1 5 ARG N N -2.490 1.388 -1.355 1.00 . A A . 5 ARG N 1 1 4 479 1 1 5 ARG NE N -0.963 4.770 -2.400 1.00 . A A . 5 ARG NE 1 1 4 480 1 1 5 ARG NH1 N 0.683 5.661 -1.053 1.00 . A A . 5 ARG NH1 1 1 4 481 1 1 5 ARG NH2 N 0.902 5.741 -3.335 1.00 . A A . 5 ARG NH2 1 1 4 482 1 1 5 ARG O O -5.970 1.685 -2.271 1.00 . A A . 5 ARG O 1 1 4 483 1 1 6 HIS C C -6.054 0.087 -4.486 1.00 . A A . 6 HIS C 1 1 4 484 1 1 6 HIS CA C -4.838 0.984 -4.710 1.00 . A A . 6 HIS CA 1 1 4 485 1 1 6 HIS CB C -3.907 0.349 -5.746 1.00 . A A . 6 HIS CB 1 1 4 486 1 1 6 HIS CD2 C -2.931 -1.472 -4.178 1.00 . A A . 6 HIS CD2 1 1 4 487 1 1 6 HIS CE1 C -2.917 -3.143 -5.597 1.00 . A A . 6 HIS CE1 1 1 4 488 1 1 6 HIS CG C -3.418 -1.011 -5.354 1.00 . A A . 6 HIS CG 1 1 4 489 1 1 6 HIS H H -3.140 1.141 -3.458 1.00 . A A . 6 HIS H 1 1 4 490 1 1 6 HIS HA H -5.174 1.940 -5.083 1.00 . A A . 6 HIS HA 1 1 4 491 1 1 6 HIS HB2 H -4.437 0.254 -6.686 1.00 . A A . 6 HIS HB2 1 1 4 492 1 1 6 HIS HB3 H -3.042 0.989 -5.882 1.00 . A A . 6 HIS HB3 1 1 4 493 1 1 6 HIS HD1 H -3.688 -2.067 -7.158 1.00 . A A . 6 HIS HD1 1 1 4 494 1 1 6 HIS HD2 H -2.805 -0.902 -3.268 1.00 . A A . 6 HIS HD2 1 1 4 495 1 1 6 HIS HE1 H -2.784 -4.124 -6.028 1.00 . A A . 6 HIS HE1 1 1 4 496 1 1 6 HIS HE2 H -2.341 -3.417 -3.651 1.00 . A A . 6 HIS HE2 1 1 4 497 1 1 6 HIS N N -4.116 1.223 -3.463 1.00 . A A . 6 HIS N 1 1 4 498 1 1 6 HIS ND1 N -3.396 -2.082 -6.222 1.00 . A A . 6 HIS ND1 1 1 4 499 1 1 6 HIS NE2 N -2.627 -2.799 -4.356 1.00 . A A . 6 HIS NE2 1 1 4 500 1 1 6 HIS O O -5.864 -1.068 -4.052 1.00 . A A . 6 HIS O 1 1 5 501 1 1 1 HIS C C 4.822 -1.710 3.694 1.00 . A A . 1 HIS C 1 1 5 502 1 1 1 HIS CA C 6.333 -1.789 3.572 1.00 . A A . 1 HIS CA 1 1 5 503 1 1 1 HIS CB C 6.742 -2.749 2.452 1.00 . A A . 1 HIS CB 1 1 5 504 1 1 1 HIS CD2 C 8.641 -2.298 0.744 1.00 . A A . 1 HIS CD2 1 1 5 505 1 1 1 HIS CE1 C 7.707 -0.639 -0.343 1.00 . A A . 1 HIS CE1 1 1 5 506 1 1 1 HIS CG C 7.430 -2.073 1.307 1.00 . A A . 1 HIS CG 1 1 5 507 1 1 1 HIS H1 H 6.452 -1.783 5.626 1.00 . A A . 1 HIS H1 1 1 5 508 1 1 1 HIS H2 H 7.956 -1.976 4.822 1.00 . A A . 1 HIS H2 1 1 5 509 1 1 1 HIS H3 H 6.845 -3.281 4.892 1.00 . A A . 1 HIS H3 1 1 5 510 1 1 1 HIS HA H 6.700 -0.797 3.348 1.00 . A A . 1 HIS HA 1 1 5 511 1 1 1 HIS HB2 H 7.417 -3.490 2.853 1.00 . A A . 1 HIS HB2 1 1 5 512 1 1 1 HIS HB3 H 5.861 -3.243 2.068 1.00 . A A . 1 HIS HB3 1 1 5 513 1 1 1 HIS HD1 H 5.991 -0.630 0.771 1.00 . A A . 1 HIS HD1 1 1 5 514 1 1 1 HIS HD2 H 9.359 -3.048 1.045 1.00 . A A . 1 HIS HD2 1 1 5 515 1 1 1 HIS HE1 H 7.535 0.160 -1.049 1.00 . A A . 1 HIS HE1 1 1 5 516 1 1 1 HIS HE2 H 9.603 -1.258 -0.805 1.00 . A A . 1 HIS HE2 1 1 5 517 1 1 1 HIS N N 6.952 -2.249 4.843 1.00 . A A . 1 HIS N 1 1 5 518 1 1 1 HIS ND1 N 6.870 -1.028 0.603 1.00 . A A . 1 HIS ND1 1 1 5 519 1 1 1 HIS NE2 N 8.788 -1.393 -0.278 1.00 . A A . 1 HIS NE2 1 1 5 520 1 1 1 HIS O O 4.286 -1.612 4.798 1.00 . A A . 1 HIS O 1 1 5 521 1 1 2 ARG C C 2.045 -2.303 1.395 1.00 . A A . 2 ARG C 1 1 5 522 1 1 2 ARG CA C 2.688 -1.591 2.570 1.00 . A A . 2 ARG CA 1 1 5 523 1 1 2 ARG CB C 2.288 -0.115 2.552 1.00 . A A . 2 ARG CB 1 1 5 524 1 1 2 ARG CD C 3.349 2.095 1.995 1.00 . A A . 2 ARG CD 1 1 5 525 1 1 2 ARG CG C 3.490 0.775 2.735 1.00 . A A . 2 ARG CG 1 1 5 526 1 1 2 ARG CZ C 4.079 3.033 -0.164 1.00 . A A . 2 ARG CZ 1 1 5 527 1 1 2 ARG H H 4.610 -1.758 1.702 1.00 . A A . 2 ARG H 1 1 5 528 1 1 2 ARG HA H 2.353 -2.013 3.478 1.00 . A A . 2 ARG HA 1 1 5 529 1 1 2 ARG HB2 H 1.811 0.125 1.599 1.00 . A A . 2 ARG HB2 1 1 5 530 1 1 2 ARG HB3 H 1.594 0.074 3.357 1.00 . A A . 2 ARG HB3 1 1 5 531 1 1 2 ARG HD2 H 2.328 2.197 1.657 1.00 . A A . 2 ARG HD2 1 1 5 532 1 1 2 ARG HD3 H 3.584 2.901 2.674 1.00 . A A . 2 ARG HD3 1 1 5 533 1 1 2 ARG HE H 4.998 1.553 0.810 1.00 . A A . 2 ARG HE 1 1 5 534 1 1 2 ARG HG2 H 3.645 0.963 3.787 1.00 . A A . 2 ARG HG2 1 1 5 535 1 1 2 ARG HG3 H 4.331 0.239 2.352 1.00 . A A . 2 ARG HG3 1 1 5 536 1 1 2 ARG HH11 H 2.415 3.891 0.602 1.00 . A A . 2 ARG HH11 1 1 5 537 1 1 2 ARG HH12 H 2.950 4.532 -0.915 1.00 . A A . 2 ARG HH12 1 1 5 538 1 1 2 ARG HH21 H 5.703 2.396 -1.185 1.00 . A A . 2 ARG HH21 1 1 5 539 1 1 2 ARG HH22 H 4.816 3.684 -1.930 1.00 . A A . 2 ARG HH22 1 1 5 540 1 1 2 ARG N N 4.135 -1.710 2.557 1.00 . A A . 2 ARG N 1 1 5 541 1 1 2 ARG NE N 4.240 2.174 0.840 1.00 . A A . 2 ARG NE 1 1 5 542 1 1 2 ARG NH1 N 3.065 3.889 -0.158 1.00 . A A . 2 ARG NH1 1 1 5 543 1 1 2 ARG NH2 N 4.936 3.038 -1.176 1.00 . A A . 2 ARG NH2 1 1 5 544 1 1 2 ARG O O 2.662 -2.471 0.342 1.00 . A A . 2 ARG O 1 1 5 545 1 1 3 PHE C C -0.637 -2.203 -0.339 1.00 . A A . 3 PHE C 1 1 5 546 1 1 3 PHE CA C 0.035 -3.296 0.482 1.00 . A A . 3 PHE CA 1 1 5 547 1 1 3 PHE CB C -1.003 -4.273 1.033 1.00 . A A . 3 PHE CB 1 1 5 548 1 1 3 PHE CD1 C -1.681 -6.676 0.954 1.00 . A A . 3 PHE CD1 1 1 5 549 1 1 3 PHE CD2 C -0.414 -5.824 -0.876 1.00 . A A . 3 PHE CD2 1 1 5 550 1 1 3 PHE CE1 C -1.723 -7.919 0.352 1.00 . A A . 3 PHE CE1 1 1 5 551 1 1 3 PHE CE2 C -0.452 -7.065 -1.484 1.00 . A A . 3 PHE CE2 1 1 5 552 1 1 3 PHE CG C -1.029 -5.617 0.352 1.00 . A A . 3 PHE CG 1 1 5 553 1 1 3 PHE CZ C -1.107 -8.114 -0.868 1.00 . A A . 3 PHE CZ 1 1 5 554 1 1 3 PHE H H 0.327 -2.467 2.404 1.00 . A A . 3 PHE H 1 1 5 555 1 1 3 PHE HA H 0.730 -3.819 -0.140 1.00 . A A . 3 PHE HA 1 1 5 556 1 1 3 PHE HB2 H -0.802 -4.443 2.084 1.00 . A A . 3 PHE HB2 1 1 5 557 1 1 3 PHE HB3 H -1.981 -3.835 0.925 1.00 . A A . 3 PHE HB3 1 1 5 558 1 1 3 PHE HD1 H -2.164 -6.520 1.906 1.00 . A A . 3 PHE HD1 1 1 5 559 1 1 3 PHE HD2 H 0.097 -5.006 -1.360 1.00 . A A . 3 PHE HD2 1 1 5 560 1 1 3 PHE HE1 H -2.236 -8.737 0.836 1.00 . A A . 3 PHE HE1 1 1 5 561 1 1 3 PHE HE2 H 0.031 -7.214 -2.438 1.00 . A A . 3 PHE HE2 1 1 5 562 1 1 3 PHE HZ H -1.138 -9.085 -1.341 1.00 . A A . 3 PHE HZ 1 1 5 563 1 1 3 PHE N N 0.780 -2.667 1.558 1.00 . A A . 3 PHE N 1 1 5 564 1 1 3 PHE O O -1.698 -2.397 -0.931 1.00 . A A . 3 PHE O 1 1 5 565 1 1 4 LEU C C -1.923 0.431 -0.710 1.00 . A A . 4 LEU C 1 1 5 566 1 1 4 LEU CA C -0.463 0.135 -1.046 1.00 . A A . 4 LEU CA 1 1 5 567 1 1 4 LEU CB C -0.292 -0.037 -2.556 1.00 . A A . 4 LEU CB 1 1 5 568 1 1 4 LEU CD1 C 2.013 -0.768 -3.221 1.00 . A A . 4 LEU CD1 1 1 5 569 1 1 4 LEU CD2 C 0.888 1.087 -4.463 1.00 . A A . 4 LEU CD2 1 1 5 570 1 1 4 LEU CG C 1.062 0.413 -3.110 1.00 . A A . 4 LEU CG 1 1 5 571 1 1 4 LEU H H 0.843 -0.970 0.161 1.00 . A A . 4 LEU H 1 1 5 572 1 1 4 LEU HA H 0.148 0.965 -0.711 1.00 . A A . 4 LEU HA 1 1 5 573 1 1 4 LEU HB2 H -0.427 -1.082 -2.795 1.00 . A A . 4 LEU HB2 1 1 5 574 1 1 4 LEU HB3 H -1.065 0.531 -3.052 1.00 . A A . 4 LEU HB3 1 1 5 575 1 1 4 LEU HD11 H 1.699 -1.548 -2.542 1.00 . A A . 4 LEU HD11 1 1 5 576 1 1 4 LEU HD12 H 3.013 -0.451 -2.965 1.00 . A A . 4 LEU HD12 1 1 5 577 1 1 4 LEU HD13 H 2.002 -1.145 -4.232 1.00 . A A . 4 LEU HD13 1 1 5 578 1 1 4 LEU HD21 H 0.938 0.344 -5.245 1.00 . A A . 4 LEU HD21 1 1 5 579 1 1 4 LEU HD22 H 1.673 1.814 -4.607 1.00 . A A . 4 LEU HD22 1 1 5 580 1 1 4 LEU HD23 H -0.072 1.582 -4.497 1.00 . A A . 4 LEU HD23 1 1 5 581 1 1 4 LEU HG H 1.500 1.131 -2.432 1.00 . A A . 4 LEU HG 1 1 5 582 1 1 4 LEU N N 0.011 -1.040 -0.341 1.00 . A A . 4 LEU N 1 1 5 583 1 1 4 LEU O O -2.534 -0.257 0.107 1.00 . A A . 4 LEU O 1 1 5 584 1 1 5 ARG C C -4.726 1.564 -2.342 1.00 . A A . 5 ARG C 1 1 5 585 1 1 5 ARG CA C -3.861 1.849 -1.116 1.00 . A A . 5 ARG CA 1 1 5 586 1 1 5 ARG CB C -3.940 3.332 -0.766 1.00 . A A . 5 ARG CB 1 1 5 587 1 1 5 ARG CD C -1.816 4.428 -1.359 1.00 . A A . 5 ARG CD 1 1 5 588 1 1 5 ARG CG C -3.239 4.213 -1.768 1.00 . A A . 5 ARG CG 1 1 5 589 1 1 5 ARG CZ C 0.204 5.418 -2.365 1.00 . A A . 5 ARG CZ 1 1 5 590 1 1 5 ARG H H -1.935 1.969 -1.986 1.00 . A A . 5 ARG H 1 1 5 591 1 1 5 ARG HA H -4.227 1.277 -0.284 1.00 . A A . 5 ARG HA 1 1 5 592 1 1 5 ARG HB2 H -4.976 3.636 -0.722 1.00 . A A . 5 ARG HB2 1 1 5 593 1 1 5 ARG HB3 H -3.475 3.486 0.205 1.00 . A A . 5 ARG HB3 1 1 5 594 1 1 5 ARG HD2 H -1.807 5.212 -0.635 1.00 . A A . 5 ARG HD2 1 1 5 595 1 1 5 ARG HD3 H -1.446 3.515 -0.911 1.00 . A A . 5 ARG HD3 1 1 5 596 1 1 5 ARG HE H -1.281 4.557 -3.387 1.00 . A A . 5 ARG HE 1 1 5 597 1 1 5 ARG HG2 H -3.253 3.740 -2.730 1.00 . A A . 5 ARG HG2 1 1 5 598 1 1 5 ARG HG3 H -3.741 5.167 -1.818 1.00 . A A . 5 ARG HG3 1 1 5 599 1 1 5 ARG HH11 H 0.132 5.534 -0.347 1.00 . A A . 5 ARG HH11 1 1 5 600 1 1 5 ARG HH12 H 1.542 6.222 -1.080 1.00 . A A . 5 ARG HH12 1 1 5 601 1 1 5 ARG HH21 H 0.575 5.462 -4.352 1.00 . A A . 5 ARG HH21 1 1 5 602 1 1 5 ARG HH22 H 1.793 6.181 -3.353 1.00 . A A . 5 ARG HH22 1 1 5 603 1 1 5 ARG N N -2.474 1.460 -1.346 1.00 . A A . 5 ARG N 1 1 5 604 1 1 5 ARG NE N -0.964 4.792 -2.488 1.00 . A A . 5 ARG NE 1 1 5 605 1 1 5 ARG NH1 N 0.663 5.752 -1.165 1.00 . A A . 5 ARG NH1 1 1 5 606 1 1 5 ARG NH2 N 0.916 5.711 -3.445 1.00 . A A . 5 ARG NH2 1 1 5 607 1 1 5 ARG O O -5.945 1.735 -2.304 1.00 . A A . 5 ARG O 1 1 5 608 1 1 6 HIS C C -6.049 0.001 -4.408 1.00 . A A . 6 HIS C 1 1 5 609 1 1 6 HIS CA C -4.799 0.837 -4.672 1.00 . A A . 6 HIS CA 1 1 5 610 1 1 6 HIS CB C -3.876 0.099 -5.642 1.00 . A A . 6 HIS CB 1 1 5 611 1 1 6 HIS CD2 C -1.968 -1.482 -4.874 1.00 . A A . 6 HIS CD2 1 1 5 612 1 1 6 HIS CE1 C -3.201 -3.139 -4.140 1.00 . A A . 6 HIS CE1 1 1 5 613 1 1 6 HIS CG C -3.265 -1.138 -5.060 1.00 . A A . 6 HIS CG 1 1 5 614 1 1 6 HIS H H -3.117 1.026 -3.405 1.00 . A A . 6 HIS H 1 1 5 615 1 1 6 HIS HA H -5.094 1.776 -5.116 1.00 . A A . 6 HIS HA 1 1 5 616 1 1 6 HIS HB2 H -4.444 -0.193 -6.518 1.00 . A A . 6 HIS HB2 1 1 5 617 1 1 6 HIS HB3 H -3.071 0.762 -5.938 1.00 . A A . 6 HIS HB3 1 1 5 618 1 1 6 HIS HD1 H -4.990 -2.252 -4.587 1.00 . A A . 6 HIS HD1 1 1 5 619 1 1 6 HIS HD2 H -1.104 -0.885 -5.129 1.00 . A A . 6 HIS HD2 1 1 5 620 1 1 6 HIS HE1 H -3.505 -4.084 -3.713 1.00 . A A . 6 HIS HE1 1 1 5 621 1 1 6 HIS HE2 H -1.158 -3.275 -4.144 1.00 . A A . 6 HIS HE2 1 1 5 622 1 1 6 HIS N N -4.089 1.137 -3.432 1.00 . A A . 6 HIS N 1 1 5 623 1 1 6 HIS ND1 N -4.011 -2.198 -4.591 1.00 . A A . 6 HIS ND1 1 1 5 624 1 1 6 HIS NE2 N -1.956 -2.729 -4.301 1.00 . A A . 6 HIS NE2 1 1 5 625 1 1 6 HIS O O -6.915 -0.069 -5.306 1.00 . A A . 6 HIS O 1 1 6 626 1 1 1 HIS C C 4.789 -1.665 3.703 1.00 . A A . 1 HIS C 1 1 6 627 1 1 1 HIS CA C 6.300 -1.762 3.606 1.00 . A A . 1 HIS CA 1 1 6 628 1 1 1 HIS CB C 6.717 -2.745 2.509 1.00 . A A . 1 HIS CB 1 1 6 629 1 1 1 HIS CD2 C 7.390 -2.421 0.025 1.00 . A A . 1 HIS CD2 1 1 6 630 1 1 1 HIS CE1 C 8.591 -0.601 0.255 1.00 . A A . 1 HIS CE1 1 1 6 631 1 1 1 HIS CG C 7.378 -2.088 1.338 1.00 . A A . 1 HIS CG 1 1 6 632 1 1 1 HIS H1 H 7.900 -1.943 4.886 1.00 . A A . 1 HIS H1 1 1 6 633 1 1 1 HIS H2 H 6.775 -3.237 4.959 1.00 . A A . 1 HIS H2 1 1 6 634 1 1 1 HIS H3 H 6.388 -1.719 5.661 1.00 . A A . 1 HIS H3 1 1 6 635 1 1 1 HIS HA H 6.680 -0.777 3.371 1.00 . A A . 1 HIS HA 1 1 6 636 1 1 1 HIS HB2 H 7.411 -3.461 2.923 1.00 . A A . 1 HIS HB2 1 1 6 637 1 1 1 HIS HB3 H 5.842 -3.267 2.149 1.00 . A A . 1 HIS HB3 1 1 6 638 1 1 1 HIS HD1 H 8.323 -0.456 2.278 1.00 . A A . 1 HIS HD1 1 1 6 639 1 1 1 HIS HD2 H 6.894 -3.268 -0.427 1.00 . A A . 1 HIS HD2 1 1 6 640 1 1 1 HIS HE1 H 9.215 0.254 0.036 1.00 . A A . 1 HIS HE1 1 1 6 641 1 1 1 HIS HE2 H 8.411 -1.513 -1.570 1.00 . A A . 1 HIS HE2 1 1 6 642 1 1 1 HIS N N 6.895 -2.205 4.894 1.00 . A A . 1 HIS N 1 1 6 643 1 1 1 HIS ND1 N 8.140 -0.944 1.448 1.00 . A A . 1 HIS ND1 1 1 6 644 1 1 1 HIS NE2 N 8.151 -1.480 -0.626 1.00 . A A . 1 HIS NE2 1 1 6 645 1 1 1 HIS O O 4.237 -1.527 4.795 1.00 . A A . 1 HIS O 1 1 6 646 1 1 2 ARG C C 2.041 -2.306 1.384 1.00 . A A . 2 ARG C 1 1 6 647 1 1 2 ARG CA C 2.674 -1.562 2.544 1.00 . A A . 2 ARG CA 1 1 6 648 1 1 2 ARG CB C 2.290 -0.083 2.472 1.00 . A A . 2 ARG CB 1 1 6 649 1 1 2 ARG CD C 3.387 2.095 1.862 1.00 . A A . 2 ARG CD 1 1 6 650 1 1 2 ARG CG C 3.497 0.801 2.651 1.00 . A A . 2 ARG CG 1 1 6 651 1 1 2 ARG CZ C 4.347 3.094 -0.176 1.00 . A A . 2 ARG CZ 1 1 6 652 1 1 2 ARG H H 4.606 -1.774 1.710 1.00 . A A . 2 ARG H 1 1 6 653 1 1 2 ARG HA H 2.321 -1.950 3.461 1.00 . A A . 2 ARG HA 1 1 6 654 1 1 2 ARG HB2 H 1.835 0.131 1.501 1.00 . A A . 2 ARG HB2 1 1 6 655 1 1 2 ARG HB3 H 1.581 0.139 3.256 1.00 . A A . 2 ARG HB3 1 1 6 656 1 1 2 ARG HD2 H 2.385 2.178 1.467 1.00 . A A . 2 ARG HD2 1 1 6 657 1 1 2 ARG HD3 H 3.581 2.925 2.526 1.00 . A A . 2 ARG HD3 1 1 6 658 1 1 2 ARG HE H 5.003 1.425 0.698 1.00 . A A . 2 ARG HE 1 1 6 659 1 1 2 ARG HG2 H 3.631 1.024 3.698 1.00 . A A . 2 ARG HG2 1 1 6 660 1 1 2 ARG HG3 H 4.341 0.243 2.306 1.00 . A A . 2 ARG HG3 1 1 6 661 1 1 2 ARG HH11 H 2.786 4.118 0.603 1.00 . A A . 2 ARG HH11 1 1 6 662 1 1 2 ARG HH12 H 3.476 4.797 -0.832 1.00 . A A . 2 ARG HH12 1 1 6 663 1 1 2 ARG HH21 H 5.911 2.316 -1.191 1.00 . A A . 2 ARG HH21 1 1 6 664 1 1 2 ARG HH22 H 5.250 3.773 -1.852 1.00 . A A . 2 ARG HH22 1 1 6 665 1 1 2 ARG N N 4.119 -1.695 2.557 1.00 . A A . 2 ARG N 1 1 6 666 1 1 2 ARG NE N 4.337 2.142 0.753 1.00 . A A . 2 ARG NE 1 1 6 667 1 1 2 ARG NH1 N 3.464 4.084 -0.131 1.00 . A A . 2 ARG NH1 1 1 6 668 1 1 2 ARG NH2 N 5.243 3.058 -1.153 1.00 . A A . 2 ARG NH2 1 1 6 669 1 1 2 ARG O O 2.661 -2.488 0.336 1.00 . A A . 2 ARG O 1 1 6 670 1 1 3 PHE C C -0.623 -2.264 -0.363 1.00 . A A . 3 PHE C 1 1 6 671 1 1 3 PHE CA C 0.044 -3.337 0.488 1.00 . A A . 3 PHE CA 1 1 6 672 1 1 3 PHE CB C -0.997 -4.301 1.058 1.00 . A A . 3 PHE CB 1 1 6 673 1 1 3 PHE CD1 C -1.612 -6.720 1.114 1.00 . A A . 3 PHE CD1 1 1 6 674 1 1 3 PHE CD2 C -0.314 -5.955 -0.731 1.00 . A A . 3 PHE CD2 1 1 6 675 1 1 3 PHE CE1 C -1.606 -8.000 0.594 1.00 . A A . 3 PHE CE1 1 1 6 676 1 1 3 PHE CE2 C -0.303 -7.232 -1.258 1.00 . A A . 3 PHE CE2 1 1 6 677 1 1 3 PHE CG C -0.969 -5.685 0.464 1.00 . A A . 3 PHE CG 1 1 6 678 1 1 3 PHE CZ C -0.950 -8.257 -0.594 1.00 . A A . 3 PHE CZ 1 1 6 679 1 1 3 PHE H H 0.323 -2.465 2.393 1.00 . A A . 3 PHE H 1 1 6 680 1 1 3 PHE HA H 0.745 -3.875 -0.116 1.00 . A A . 3 PHE HA 1 1 6 681 1 1 3 PHE HB2 H -0.835 -4.401 2.125 1.00 . A A . 3 PHE HB2 1 1 6 682 1 1 3 PHE HB3 H -1.980 -3.892 0.885 1.00 . A A . 3 PHE HB3 1 1 6 683 1 1 3 PHE HD1 H -2.127 -6.516 2.041 1.00 . A A . 3 PHE HD1 1 1 6 684 1 1 3 PHE HD2 H 0.191 -5.156 -1.252 1.00 . A A . 3 PHE HD2 1 1 6 685 1 1 3 PHE HE1 H -2.113 -8.799 1.115 1.00 . A A . 3 PHE HE1 1 1 6 686 1 1 3 PHE HE2 H 0.211 -7.430 -2.186 1.00 . A A . 3 PHE HE2 1 1 6 687 1 1 3 PHE HZ H -0.943 -9.256 -1.004 1.00 . A A . 3 PHE HZ 1 1 6 688 1 1 3 PHE N N 0.780 -2.679 1.552 1.00 . A A . 3 PHE N 1 1 6 689 1 1 3 PHE O O -1.689 -2.469 -0.944 1.00 . A A . 3 PHE O 1 1 6 690 1 1 4 LEU C C -1.869 0.403 -0.749 1.00 . A A . 4 LEU C 1 1 6 691 1 1 4 LEU CA C -0.437 0.049 -1.141 1.00 . A A . 4 LEU CA 1 1 6 692 1 1 4 LEU CB C -0.346 -0.197 -2.648 1.00 . A A . 4 LEU CB 1 1 6 693 1 1 4 LEU CD1 C 1.808 -1.287 -3.327 1.00 . A A . 4 LEU CD1 1 1 6 694 1 1 4 LEU CD2 C 0.920 0.646 -4.642 1.00 . A A . 4 LEU CD2 1 1 6 695 1 1 4 LEU CG C 1.040 0.024 -3.258 1.00 . A A . 4 LEU CG 1 1 6 696 1 1 4 LEU H H 0.868 -1.027 0.093 1.00 . A A . 4 LEU H 1 1 6 697 1 1 4 LEU HA H 0.213 0.874 -0.873 1.00 . A A . 4 LEU HA 1 1 6 698 1 1 4 LEU HB2 H -0.644 -1.217 -2.843 1.00 . A A . 4 LEU HB2 1 1 6 699 1 1 4 LEU HB3 H -1.042 0.464 -3.143 1.00 . A A . 4 LEU HB3 1 1 6 700 1 1 4 LEU HD11 H 1.111 -2.110 -3.388 1.00 . A A . 4 LEU HD11 1 1 6 701 1 1 4 LEU HD12 H 2.415 -1.395 -2.441 1.00 . A A . 4 LEU HD12 1 1 6 702 1 1 4 LEU HD13 H 2.442 -1.287 -4.201 1.00 . A A . 4 LEU HD13 1 1 6 703 1 1 4 LEU HD21 H 1.777 1.275 -4.829 1.00 . A A . 4 LEU HD21 1 1 6 704 1 1 4 LEU HD22 H 0.019 1.239 -4.692 1.00 . A A . 4 LEU HD22 1 1 6 705 1 1 4 LEU HD23 H 0.878 -0.136 -5.385 1.00 . A A . 4 LEU HD23 1 1 6 706 1 1 4 LEU HG H 1.598 0.705 -2.632 1.00 . A A . 4 LEU HG 1 1 6 707 1 1 4 LEU N N 0.034 -1.107 -0.403 1.00 . A A . 4 LEU N 1 1 6 708 1 1 4 LEU O O -2.464 -0.241 0.115 1.00 . A A . 4 LEU O 1 1 6 709 1 1 5 ARG C C -4.712 1.549 -2.273 1.00 . A A . 5 ARG C 1 1 6 710 1 1 5 ARG CA C -3.779 1.870 -1.109 1.00 . A A . 5 ARG CA 1 1 6 711 1 1 5 ARG CB C -3.802 3.371 -0.829 1.00 . A A . 5 ARG CB 1 1 6 712 1 1 5 ARG CD C -1.674 4.374 -1.561 1.00 . A A . 5 ARG CD 1 1 6 713 1 1 5 ARG CG C -3.119 4.181 -1.901 1.00 . A A . 5 ARG CG 1 1 6 714 1 1 5 ARG CZ C 0.335 5.236 -2.698 1.00 . A A . 5 ARG CZ 1 1 6 715 1 1 5 ARG H H -1.893 1.904 -2.070 1.00 . A A . 5 ARG H 1 1 6 716 1 1 5 ARG HA H -4.116 1.349 -0.231 1.00 . A A . 5 ARG HA 1 1 6 717 1 1 5 ARG HB2 H -4.825 3.707 -0.758 1.00 . A A . 5 ARG HB2 1 1 6 718 1 1 5 ARG HB3 H -3.292 3.558 0.113 1.00 . A A . 5 ARG HB3 1 1 6 719 1 1 5 ARG HD2 H -1.614 5.194 -0.881 1.00 . A A . 5 ARG HD2 1 1 6 720 1 1 5 ARG HD3 H -1.311 3.476 -1.081 1.00 . A A . 5 ARG HD3 1 1 6 721 1 1 5 ARG HE H -1.228 4.393 -3.614 1.00 . A A . 5 ARG HE 1 1 6 722 1 1 5 ARG HG2 H -3.187 3.663 -2.837 1.00 . A A . 5 ARG HG2 1 1 6 723 1 1 5 ARG HG3 H -3.597 5.146 -1.978 1.00 . A A . 5 ARG HG3 1 1 6 724 1 1 5 ARG HH11 H 0.361 5.439 -0.686 1.00 . A A . 5 ARG HH11 1 1 6 725 1 1 5 ARG HH12 H 1.761 6.037 -1.510 1.00 . A A . 5 ARG HH12 1 1 6 726 1 1 5 ARG HH21 H 0.615 5.179 -4.699 1.00 . A A . 5 ARG HH21 1 1 6 727 1 1 5 ARG HH22 H 1.906 5.890 -3.788 1.00 . A A . 5 ARG HH22 1 1 6 728 1 1 5 ARG N N -2.417 1.431 -1.390 1.00 . A A . 5 ARG N 1 1 6 729 1 1 5 ARG NE N -0.862 4.654 -2.742 1.00 . A A . 5 ARG NE 1 1 6 730 1 1 5 ARG NH1 N 0.862 5.600 -1.536 1.00 . A A . 5 ARG NH1 1 1 6 731 1 1 5 ARG NH2 N 1.007 5.453 -3.820 1.00 . A A . 5 ARG NH2 1 1 6 732 1 1 5 ARG O O -5.934 1.575 -2.125 1.00 . A A . 5 ARG O 1 1 6 733 1 1 6 HIS C C -6.025 -0.053 -4.318 1.00 . A A . 6 HIS C 1 1 6 734 1 1 6 HIS CA C -4.902 0.935 -4.629 1.00 . A A . 6 HIS CA 1 1 6 735 1 1 6 HIS CB C -3.986 0.360 -5.712 1.00 . A A . 6 HIS CB 1 1 6 736 1 1 6 HIS CD2 C -2.731 -1.876 -6.109 1.00 . A A . 6 HIS CD2 1 1 6 737 1 1 6 HIS CE1 C -2.845 -2.674 -4.071 1.00 . A A . 6 HIS CE1 1 1 6 738 1 1 6 HIS CG C -3.394 -0.968 -5.354 1.00 . A A . 6 HIS CG 1 1 6 739 1 1 6 HIS H H -3.150 1.255 -3.490 1.00 . A A . 6 HIS H 1 1 6 740 1 1 6 HIS HA H -5.337 1.853 -4.992 1.00 . A A . 6 HIS HA 1 1 6 741 1 1 6 HIS HB2 H -4.554 0.234 -6.626 1.00 . A A . 6 HIS HB2 1 1 6 742 1 1 6 HIS HB3 H -3.170 1.052 -5.886 1.00 . A A . 6 HIS HB3 1 1 6 743 1 1 6 HIS HD1 H -3.868 -1.077 -3.303 1.00 . A A . 6 HIS HD1 1 1 6 744 1 1 6 HIS HD2 H -2.505 -1.790 -7.163 1.00 . A A . 6 HIS HD2 1 1 6 745 1 1 6 HIS HE1 H -2.734 -3.319 -3.212 1.00 . A A . 6 HIS HE1 1 1 6 746 1 1 6 HIS HE2 H -1.833 -3.684 -5.536 1.00 . A A . 6 HIS HE2 1 1 6 747 1 1 6 HIS N N -4.128 1.254 -3.434 1.00 . A A . 6 HIS N 1 1 6 748 1 1 6 HIS ND1 N -3.449 -1.499 -4.082 1.00 . A A . 6 HIS ND1 1 1 6 749 1 1 6 HIS NE2 N -2.402 -2.926 -5.288 1.00 . A A . 6 HIS NE2 1 1 6 750 1 1 6 HIS O O -6.986 -0.125 -5.113 1.00 . A A . 6 HIS O 1 1 7 751 1 1 1 HIS C C 4.834 -1.725 3.676 1.00 . A A . 1 HIS C 1 1 7 752 1 1 1 HIS CA C 6.343 -1.749 3.519 1.00 . A A . 1 HIS CA 1 1 7 753 1 1 1 HIS CB C 6.756 -2.639 2.343 1.00 . A A . 1 HIS CB 1 1 7 754 1 1 1 HIS CD2 C 8.432 -2.245 0.403 1.00 . A A . 1 HIS CD2 1 1 7 755 1 1 1 HIS CE1 C 7.817 -0.213 -0.144 1.00 . A A . 1 HIS CE1 1 1 7 756 1 1 1 HIS CG C 7.420 -1.890 1.230 1.00 . A A . 1 HIS CG 1 1 7 757 1 1 1 HIS H1 H 6.512 -1.837 5.568 1.00 . A A . 1 HIS H1 1 1 7 758 1 1 1 HIS H2 H 8.001 -1.950 4.721 1.00 . A A . 1 HIS H2 1 1 7 759 1 1 1 HIS H3 H 6.925 -3.288 4.755 1.00 . A A . 1 HIS H3 1 1 7 760 1 1 1 HIS HA H 6.673 -0.736 3.338 1.00 . A A . 1 HIS HA 1 1 7 761 1 1 1 HIS HB2 H 7.448 -3.390 2.695 1.00 . A A . 1 HIS HB2 1 1 7 762 1 1 1 HIS HB3 H 5.880 -3.126 1.941 1.00 . A A . 1 HIS HB3 1 1 7 763 1 1 1 HIS HD1 H 6.349 -0.076 1.275 1.00 . A A . 1 HIS HD1 1 1 7 764 1 1 1 HIS HD2 H 8.962 -3.187 0.406 1.00 . A A . 1 HIS HD2 1 1 7 765 1 1 1 HIS HE1 H 7.759 0.746 -0.638 1.00 . A A . 1 HIS HE1 1 1 7 766 1 1 1 HIS HE2 H 9.393 -1.119 -1.086 1.00 . A A . 1 HIS HE2 1 1 7 767 1 1 1 HIS N N 7.005 -2.251 4.752 1.00 . A A . 1 HIS N 1 1 7 768 1 1 1 HIS ND1 N 7.058 -0.611 0.862 1.00 . A A . 1 HIS ND1 1 1 7 769 1 1 1 HIS NE2 N 8.659 -1.185 -0.441 1.00 . A A . 1 HIS NE2 1 1 7 770 1 1 1 HIS O O 4.320 -1.707 4.794 1.00 . A A . 1 HIS O 1 1 7 771 1 1 2 ARG C C 2.028 -2.305 1.421 1.00 . A A . 2 ARG C 1 1 7 772 1 1 2 ARG CA C 2.675 -1.609 2.603 1.00 . A A . 2 ARG CA 1 1 7 773 1 1 2 ARG CB C 2.232 -0.147 2.642 1.00 . A A . 2 ARG CB 1 1 7 774 1 1 2 ARG CD C 3.204 2.143 2.288 1.00 . A A . 2 ARG CD 1 1 7 775 1 1 2 ARG CG C 3.401 0.767 2.902 1.00 . A A . 2 ARG CG 1 1 7 776 1 1 2 ARG CZ C 2.289 4.315 3.009 1.00 . A A . 2 ARG CZ 1 1 7 777 1 1 2 ARG H H 4.582 -1.666 1.689 1.00 . A A . 2 ARG H 1 1 7 778 1 1 2 ARG HA H 2.374 -2.070 3.505 1.00 . A A . 2 ARG HA 1 1 7 779 1 1 2 ARG HB2 H 1.775 0.123 1.687 1.00 . A A . 2 ARG HB2 1 1 7 780 1 1 2 ARG HB3 H 1.510 -0.016 3.435 1.00 . A A . 2 ARG HB3 1 1 7 781 1 1 2 ARG HD2 H 4.167 2.620 2.188 1.00 . A A . 2 ARG HD2 1 1 7 782 1 1 2 ARG HD3 H 2.758 2.027 1.311 1.00 . A A . 2 ARG HD3 1 1 7 783 1 1 2 ARG HE H 1.766 2.544 3.767 1.00 . A A . 2 ARG HE 1 1 7 784 1 1 2 ARG HG2 H 3.557 0.861 3.965 1.00 . A A . 2 ARG HG2 1 1 7 785 1 1 2 ARG HG3 H 4.259 0.300 2.467 1.00 . A A . 2 ARG HG3 1 1 7 786 1 1 2 ARG HH11 H 3.666 4.435 1.532 1.00 . A A . 2 ARG HH11 1 1 7 787 1 1 2 ARG HH12 H 3.007 5.948 2.058 1.00 . A A . 2 ARG HH12 1 1 7 788 1 1 2 ARG HH21 H 0.898 4.533 4.460 1.00 . A A . 2 ARG HH21 1 1 7 789 1 1 2 ARG HH22 H 1.437 6.004 3.720 1.00 . A A . 2 ARG HH22 1 1 7 790 1 1 2 ARG N N 4.124 -1.682 2.555 1.00 . A A . 2 ARG N 1 1 7 791 1 1 2 ARG NE N 2.339 2.988 3.108 1.00 . A A . 2 ARG NE 1 1 7 792 1 1 2 ARG NH1 N 3.050 4.951 2.128 1.00 . A A . 2 ARG NH1 1 1 7 793 1 1 2 ARG NH2 N 1.474 5.007 3.794 1.00 . A A . 2 ARG NH2 1 1 7 794 1 1 2 ARG O O 2.636 -2.444 0.359 1.00 . A A . 2 ARG O 1 1 7 795 1 1 3 PHE C C -0.648 -2.202 -0.303 1.00 . A A . 3 PHE C 1 1 7 796 1 1 3 PHE CA C 0.020 -3.304 0.508 1.00 . A A . 3 PHE CA 1 1 7 797 1 1 3 PHE CB C -1.021 -4.281 1.055 1.00 . A A . 3 PHE CB 1 1 7 798 1 1 3 PHE CD1 C -1.686 -6.687 0.987 1.00 . A A . 3 PHE CD1 1 1 7 799 1 1 3 PHE CD2 C -0.422 -5.839 -0.846 1.00 . A A . 3 PHE CD2 1 1 7 800 1 1 3 PHE CE1 C -1.722 -7.933 0.392 1.00 . A A . 3 PHE CE1 1 1 7 801 1 1 3 PHE CE2 C -0.453 -7.083 -1.447 1.00 . A A . 3 PHE CE2 1 1 7 802 1 1 3 PHE CG C -1.039 -5.628 0.380 1.00 . A A . 3 PHE CG 1 1 7 803 1 1 3 PHE CZ C -1.104 -8.132 -0.827 1.00 . A A . 3 PHE CZ 1 1 7 804 1 1 3 PHE H H 0.323 -2.510 2.444 1.00 . A A . 3 PHE H 1 1 7 805 1 1 3 PHE HA H 0.713 -3.825 -0.118 1.00 . A A . 3 PHE HA 1 1 7 806 1 1 3 PHE HB2 H -0.827 -4.447 2.108 1.00 . A A . 3 PHE HB2 1 1 7 807 1 1 3 PHE HB3 H -1.999 -3.845 0.937 1.00 . A A . 3 PHE HB3 1 1 7 808 1 1 3 PHE HD1 H -2.171 -6.528 1.938 1.00 . A A . 3 PHE HD1 1 1 7 809 1 1 3 PHE HD2 H 0.086 -5.021 -1.334 1.00 . A A . 3 PHE HD2 1 1 7 810 1 1 3 PHE HE1 H -2.232 -8.751 0.879 1.00 . A A . 3 PHE HE1 1 1 7 811 1 1 3 PHE HE2 H 0.031 -7.235 -2.401 1.00 . A A . 3 PHE HE2 1 1 7 812 1 1 3 PHE HZ H -1.130 -9.105 -1.295 1.00 . A A . 3 PHE HZ 1 1 7 813 1 1 3 PHE N N 0.769 -2.687 1.589 1.00 . A A . 3 PHE N 1 1 7 814 1 1 3 PHE O O -1.707 -2.392 -0.902 1.00 . A A . 3 PHE O 1 1 7 815 1 1 4 LEU C C -1.946 0.414 -0.683 1.00 . A A . 4 LEU C 1 1 7 816 1 1 4 LEU CA C -0.473 0.144 -0.984 1.00 . A A . 4 LEU CA 1 1 7 817 1 1 4 LEU CB C -0.256 0.005 -2.493 1.00 . A A . 4 LEU CB 1 1 7 818 1 1 4 LEU CD1 C 1.792 -1.398 -2.839 1.00 . A A . 4 LEU CD1 1 1 7 819 1 1 4 LEU CD2 C 1.332 0.535 -4.358 1.00 . A A . 4 LEU CD2 1 1 7 820 1 1 4 LEU CG C 1.207 0.002 -2.938 1.00 . A A . 4 LEU CG 1 1 7 821 1 1 4 LEU H H 0.828 -0.975 0.215 1.00 . A A . 4 LEU H 1 1 7 822 1 1 4 LEU HA H 0.117 0.975 -0.617 1.00 . A A . 4 LEU HA 1 1 7 823 1 1 4 LEU HB2 H -0.711 -0.920 -2.816 1.00 . A A . 4 LEU HB2 1 1 7 824 1 1 4 LEU HB3 H -0.757 0.824 -2.986 1.00 . A A . 4 LEU HB3 1 1 7 825 1 1 4 LEU HD11 H 1.246 -1.966 -2.100 1.00 . A A . 4 LEU HD11 1 1 7 826 1 1 4 LEU HD12 H 2.831 -1.335 -2.549 1.00 . A A . 4 LEU HD12 1 1 7 827 1 1 4 LEU HD13 H 1.716 -1.889 -3.798 1.00 . A A . 4 LEU HD13 1 1 7 828 1 1 4 LEU HD21 H 0.917 1.531 -4.406 1.00 . A A . 4 LEU HD21 1 1 7 829 1 1 4 LEU HD22 H 0.795 -0.113 -5.034 1.00 . A A . 4 LEU HD22 1 1 7 830 1 1 4 LEU HD23 H 2.374 0.565 -4.640 1.00 . A A . 4 LEU HD23 1 1 7 831 1 1 4 LEU HG H 1.776 0.648 -2.286 1.00 . A A . 4 LEU HG 1 1 7 832 1 1 4 LEU N N -0.001 -1.039 -0.290 1.00 . A A . 4 LEU N 1 1 7 833 1 1 4 LEU O O -2.569 -0.297 0.106 1.00 . A A . 4 LEU O 1 1 7 834 1 1 5 ARG C C -4.719 1.575 -2.377 1.00 . A A . 5 ARG C 1 1 7 835 1 1 5 ARG CA C -3.896 1.808 -1.111 1.00 . A A . 5 ARG CA 1 1 7 836 1 1 5 ARG CB C -4.006 3.270 -0.690 1.00 . A A . 5 ARG CB 1 1 7 837 1 1 5 ARG CD C -1.888 4.423 -1.188 1.00 . A A . 5 ARG CD 1 1 7 838 1 1 5 ARG CG C -3.300 4.210 -1.634 1.00 . A A . 5 ARG CG 1 1 7 839 1 1 5 ARG CZ C 0.132 5.492 -2.110 1.00 . A A . 5 ARG CZ 1 1 7 840 1 1 5 ARG H H -1.951 1.976 -1.931 1.00 . A A . 5 ARG H 1 1 7 841 1 1 5 ARG HA H -4.282 1.191 -0.321 1.00 . A A . 5 ARG HA 1 1 7 842 1 1 5 ARG HB2 H -5.047 3.556 -0.652 1.00 . A A . 5 ARG HB2 1 1 7 843 1 1 5 ARG HB3 H -3.562 3.383 0.296 1.00 . A A . 5 ARG HB3 1 1 7 844 1 1 5 ARG HD2 H -1.903 5.172 -0.428 1.00 . A A . 5 ARG HD2 1 1 7 845 1 1 5 ARG HD3 H -1.515 3.495 -0.776 1.00 . A A . 5 ARG HD3 1 1 7 846 1 1 5 ARG HE H -1.316 4.649 -3.197 1.00 . A A . 5 ARG HE 1 1 7 847 1 1 5 ARG HG2 H -3.292 3.787 -2.618 1.00 . A A . 5 ARG HG2 1 1 7 848 1 1 5 ARG HG3 H -3.815 5.159 -1.644 1.00 . A A . 5 ARG HG3 1 1 7 849 1 1 5 ARG HH11 H 0.023 5.514 -0.090 1.00 . A A . 5 ARG HH11 1 1 7 850 1 1 5 ARG HH12 H 1.432 6.260 -0.765 1.00 . A A . 5 ARG HH12 1 1 7 851 1 1 5 ARG HH21 H 0.538 5.631 -4.085 1.00 . A A . 5 ARG HH21 1 1 7 852 1 1 5 ARG HH22 H 1.724 6.327 -3.032 1.00 . A A . 5 ARG HH22 1 1 7 853 1 1 5 ARG N N -2.497 1.446 -1.314 1.00 . A A . 5 ARG N 1 1 7 854 1 1 5 ARG NE N -1.021 4.851 -2.283 1.00 . A A . 5 ARG NE 1 1 7 855 1 1 5 ARG NH1 N 0.564 5.779 -0.888 1.00 . A A . 5 ARG NH1 1 1 7 856 1 1 5 ARG NH2 N 0.858 5.846 -3.162 1.00 . A A . 5 ARG NH2 1 1 7 857 1 1 5 ARG O O -5.925 1.824 -2.396 1.00 . A A . 5 ARG O 1 1 7 858 1 1 6 HIS C C -6.037 0.074 -4.499 1.00 . A A . 6 HIS C 1 1 7 859 1 1 6 HIS CA C -4.736 0.846 -4.707 1.00 . A A . 6 HIS CA 1 1 7 860 1 1 6 HIS CB C -3.813 0.067 -5.646 1.00 . A A . 6 HIS CB 1 1 7 861 1 1 6 HIS CD2 C -2.944 -1.703 -3.960 1.00 . A A . 6 HIS CD2 1 1 7 862 1 1 6 HIS CE1 C -3.256 -3.493 -5.187 1.00 . A A . 6 HIS CE1 1 1 7 863 1 1 6 HIS CG C -3.466 -1.300 -5.143 1.00 . A A . 6 HIS CG 1 1 7 864 1 1 6 HIS H H -3.102 0.928 -3.366 1.00 . A A . 6 HIS H 1 1 7 865 1 1 6 HIS HA H -4.965 1.802 -5.155 1.00 . A A . 6 HIS HA 1 1 7 866 1 1 6 HIS HB2 H -4.301 -0.047 -6.606 1.00 . A A . 6 HIS HB2 1 1 7 867 1 1 6 HIS HB3 H -2.890 0.621 -5.773 1.00 . A A . 6 HIS HB3 1 1 7 868 1 1 6 HIS HD1 H -4.014 -2.485 -6.797 1.00 . A A . 6 HIS HD1 1 1 7 869 1 1 6 HIS HD2 H -2.673 -1.067 -3.129 1.00 . A A . 6 HIS HD2 1 1 7 870 1 1 6 HIS HE1 H -3.283 -4.521 -5.517 1.00 . A A . 6 HIS HE1 1 1 7 871 1 1 6 HIS HE2 H -2.388 -3.629 -3.337 1.00 . A A . 6 HIS HE2 1 1 7 872 1 1 6 HIS N N -4.063 1.103 -3.437 1.00 . A A . 6 HIS N 1 1 7 873 1 1 6 HIS ND1 N -3.649 -2.446 -5.889 1.00 . A A . 6 HIS ND1 1 1 7 874 1 1 6 HIS NE2 N -2.823 -3.070 -4.014 1.00 . A A . 6 HIS NE2 1 1 7 875 1 1 6 HIS O O -6.202 -0.524 -3.414 1.00 . A A . 6 HIS O 1 1 8 876 1 1 1 HIS C C 4.818 -1.730 3.713 1.00 . A A . 1 HIS C 1 1 8 877 1 1 1 HIS CA C 6.329 -1.801 3.594 1.00 . A A . 1 HIS CA 1 1 8 878 1 1 1 HIS CB C 6.743 -2.715 2.438 1.00 . A A . 1 HIS CB 1 1 8 879 1 1 1 HIS CD2 C 6.556 -1.739 0.041 1.00 . A A . 1 HIS CD2 1 1 8 880 1 1 1 HIS CE1 C 8.529 -0.789 -0.072 1.00 . A A . 1 HIS CE1 1 1 8 881 1 1 1 HIS CG C 7.188 -1.971 1.217 1.00 . A A . 1 HIS CG 1 1 8 882 1 1 1 HIS H1 H 6.846 -1.571 5.572 1.00 . A A . 1 HIS H1 1 1 8 883 1 1 1 HIS H2 H 7.946 -2.512 4.649 1.00 . A A . 1 HIS H2 1 1 8 884 1 1 1 HIS H3 H 6.435 -3.173 5.123 1.00 . A A . 1 HIS H3 1 1 8 885 1 1 1 HIS HA H 6.694 -0.800 3.411 1.00 . A A . 1 HIS HA 1 1 8 886 1 1 1 HIS HB2 H 7.561 -3.342 2.759 1.00 . A A . 1 HIS HB2 1 1 8 887 1 1 1 HIS HB3 H 5.905 -3.338 2.162 1.00 . A A . 1 HIS HB3 1 1 8 888 1 1 1 HIS HD1 H 9.115 -1.353 1.806 1.00 . A A . 1 HIS HD1 1 1 8 889 1 1 1 HIS HD2 H 5.564 -2.071 -0.230 1.00 . A A . 1 HIS HD2 1 1 8 890 1 1 1 HIS HE1 H 9.386 -0.240 -0.433 1.00 . A A . 1 HIS HE1 1 1 8 891 1 1 1 HIS HE2 H 7.192 -0.614 -1.614 1.00 . A A . 1 HIS HE2 1 1 8 892 1 1 1 HIS N N 6.944 -2.310 4.848 1.00 . A A . 1 HIS N 1 1 8 893 1 1 1 HIS ND1 N 8.422 -1.363 1.113 1.00 . A A . 1 HIS ND1 1 1 8 894 1 1 1 HIS NE2 N 7.412 -1.003 -0.741 1.00 . A A . 1 HIS NE2 1 1 8 895 1 1 1 HIS O O 4.277 -1.660 4.817 1.00 . A A . 1 HIS O 1 1 8 896 1 1 2 ARG C C 2.053 -2.278 1.389 1.00 . A A . 2 ARG C 1 1 8 897 1 1 2 ARG CA C 2.688 -1.590 2.583 1.00 . A A . 2 ARG CA 1 1 8 898 1 1 2 ARG CB C 2.284 -0.115 2.597 1.00 . A A . 2 ARG CB 1 1 8 899 1 1 2 ARG CD C 3.341 2.110 2.101 1.00 . A A . 2 ARG CD 1 1 8 900 1 1 2 ARG CG C 3.481 0.774 2.812 1.00 . A A . 2 ARG CG 1 1 8 901 1 1 2 ARG CZ C 2.748 3.718 3.871 1.00 . A A . 2 ARG CZ 1 1 8 902 1 1 2 ARG H H 4.613 -1.730 1.719 1.00 . A A . 2 ARG H 1 1 8 903 1 1 2 ARG HA H 2.351 -2.034 3.480 1.00 . A A . 2 ARG HA 1 1 8 904 1 1 2 ARG HB2 H 1.814 0.146 1.646 1.00 . A A . 2 ARG HB2 1 1 8 905 1 1 2 ARG HB3 H 1.582 0.053 3.401 1.00 . A A . 2 ARG HB3 1 1 8 906 1 1 2 ARG HD2 H 4.312 2.578 2.048 1.00 . A A . 2 ARG HD2 1 1 8 907 1 1 2 ARG HD3 H 2.972 1.934 1.101 1.00 . A A . 2 ARG HD3 1 1 8 908 1 1 2 ARG HE H 1.510 3.085 2.439 1.00 . A A . 2 ARG HE 1 1 8 909 1 1 2 ARG HG2 H 3.626 0.938 3.869 1.00 . A A . 2 ARG HG2 1 1 8 910 1 1 2 ARG HG3 H 4.327 0.249 2.424 1.00 . A A . 2 ARG HG3 1 1 8 911 1 1 2 ARG HH11 H 4.651 3.039 3.960 1.00 . A A . 2 ARG HH11 1 1 8 912 1 1 2 ARG HH12 H 4.210 4.174 5.191 1.00 . A A . 2 ARG HH12 1 1 8 913 1 1 2 ARG HH21 H 0.928 4.579 4.057 1.00 . A A . 2 ARG HH21 1 1 8 914 1 1 2 ARG HH22 H 2.096 5.048 5.247 1.00 . A A . 2 ARG HH22 1 1 8 915 1 1 2 ARG N N 4.135 -1.704 2.574 1.00 . A A . 2 ARG N 1 1 8 916 1 1 2 ARG NE N 2.420 3.007 2.795 1.00 . A A . 2 ARG NE 1 1 8 917 1 1 2 ARG NH1 N 3.970 3.637 4.383 1.00 . A A . 2 ARG NH1 1 1 8 918 1 1 2 ARG NH2 N 1.851 4.513 4.438 1.00 . A A . 2 ARG NH2 1 1 8 919 1 1 2 ARG O O 2.670 -2.408 0.332 1.00 . A A . 2 ARG O 1 1 8 920 1 1 3 PHE C C -0.614 -2.166 -0.353 1.00 . A A . 3 PHE C 1 1 8 921 1 1 3 PHE CA C 0.055 -3.273 0.450 1.00 . A A . 3 PHE CA 1 1 8 922 1 1 3 PHE CB C -0.982 -4.262 0.975 1.00 . A A . 3 PHE CB 1 1 8 923 1 1 3 PHE CD1 C -1.759 -6.623 0.718 1.00 . A A . 3 PHE CD1 1 1 8 924 1 1 3 PHE CD2 C -0.530 -5.660 -1.082 1.00 . A A . 3 PHE CD2 1 1 8 925 1 1 3 PHE CE1 C -1.874 -7.806 0.012 1.00 . A A . 3 PHE CE1 1 1 8 926 1 1 3 PHE CE2 C -0.640 -6.840 -1.793 1.00 . A A . 3 PHE CE2 1 1 8 927 1 1 3 PHE CG C -1.089 -5.539 0.184 1.00 . A A . 3 PHE CG 1 1 8 928 1 1 3 PHE CZ C -1.313 -7.914 -1.245 1.00 . A A . 3 PHE CZ 1 1 8 929 1 1 3 PHE H H 0.338 -2.494 2.394 1.00 . A A . 3 PHE H 1 1 8 930 1 1 3 PHE HA H 0.754 -3.783 -0.178 1.00 . A A . 3 PHE HA 1 1 8 931 1 1 3 PHE HB2 H -0.730 -4.528 1.994 1.00 . A A . 3 PHE HB2 1 1 8 932 1 1 3 PHE HB3 H -1.948 -3.787 0.959 1.00 . A A . 3 PHE HB3 1 1 8 933 1 1 3 PHE HD1 H -2.199 -6.536 1.699 1.00 . A A . 3 PHE HD1 1 1 8 934 1 1 3 PHE HD2 H -0.005 -4.821 -1.513 1.00 . A A . 3 PHE HD2 1 1 8 935 1 1 3 PHE HE1 H -2.400 -8.644 0.443 1.00 . A A . 3 PHE HE1 1 1 8 936 1 1 3 PHE HE2 H -0.200 -6.922 -2.776 1.00 . A A . 3 PHE HE2 1 1 8 937 1 1 3 PHE HZ H -1.400 -8.838 -1.799 1.00 . A A . 3 PHE HZ 1 1 8 938 1 1 3 PHE N N 0.793 -2.663 1.543 1.00 . A A . 3 PHE N 1 1 8 939 1 1 3 PHE O O -1.676 -2.351 -0.948 1.00 . A A . 3 PHE O 1 1 8 940 1 1 4 LEU C C -1.911 0.453 -0.706 1.00 . A A . 4 LEU C 1 1 8 941 1 1 4 LEU CA C -0.441 0.184 -1.021 1.00 . A A . 4 LEU CA 1 1 8 942 1 1 4 LEU CB C -0.237 0.052 -2.531 1.00 . A A . 4 LEU CB 1 1 8 943 1 1 4 LEU CD1 C 1.682 -1.553 -2.686 1.00 . A A . 4 LEU CD1 1 1 8 944 1 1 4 LEU CD2 C 1.366 0.188 -4.453 1.00 . A A . 4 LEU CD2 1 1 8 945 1 1 4 LEU CG C 1.215 -0.135 -2.974 1.00 . A A . 4 LEU CG 1 1 8 946 1 1 4 LEU H H 0.865 -0.941 0.168 1.00 . A A . 4 LEU H 1 1 8 947 1 1 4 LEU HA H 0.153 1.012 -0.653 1.00 . A A . 4 LEU HA 1 1 8 948 1 1 4 LEU HB2 H -0.809 -0.796 -2.878 1.00 . A A . 4 LEU HB2 1 1 8 949 1 1 4 LEU HB3 H -0.621 0.943 -3.005 1.00 . A A . 4 LEU HB3 1 1 8 950 1 1 4 LEU HD11 H 1.878 -1.660 -1.629 1.00 . A A . 4 LEU HD11 1 1 8 951 1 1 4 LEU HD12 H 2.587 -1.754 -3.242 1.00 . A A . 4 LEU HD12 1 1 8 952 1 1 4 LEU HD13 H 0.915 -2.252 -2.983 1.00 . A A . 4 LEU HD13 1 1 8 953 1 1 4 LEU HD21 H 1.453 1.257 -4.581 1.00 . A A . 4 LEU HD21 1 1 8 954 1 1 4 LEU HD22 H 0.500 -0.169 -4.989 1.00 . A A . 4 LEU HD22 1 1 8 955 1 1 4 LEU HD23 H 2.252 -0.294 -4.838 1.00 . A A . 4 LEU HD23 1 1 8 956 1 1 4 LEU HG H 1.845 0.543 -2.416 1.00 . A A . 4 LEU HG 1 1 8 957 1 1 4 LEU N N 0.034 -1.003 -0.335 1.00 . A A . 4 LEU N 1 1 8 958 1 1 4 LEU O O -2.523 -0.250 0.098 1.00 . A A . 4 LEU O 1 1 8 959 1 1 5 ARG C C -4.690 1.642 -2.405 1.00 . A A . 5 ARG C 1 1 8 960 1 1 5 ARG CA C -3.869 1.837 -1.133 1.00 . A A . 5 ARG CA 1 1 8 961 1 1 5 ARG CB C -3.972 3.287 -0.672 1.00 . A A . 5 ARG CB 1 1 8 962 1 1 5 ARG CD C -1.872 4.448 -1.211 1.00 . A A . 5 ARG CD 1 1 8 963 1 1 5 ARG CG C -3.298 4.252 -1.614 1.00 . A A . 5 ARG CG 1 1 8 964 1 1 5 ARG CZ C 0.124 5.512 -2.193 1.00 . A A . 5 ARG CZ 1 1 8 965 1 1 5 ARG H H -1.933 1.999 -1.975 1.00 . A A . 5 ARG H 1 1 8 966 1 1 5 ARG HA H -4.257 1.200 -0.360 1.00 . A A . 5 ARG HA 1 1 8 967 1 1 5 ARG HB2 H -5.012 3.568 -0.596 1.00 . A A . 5 ARG HB2 1 1 8 968 1 1 5 ARG HB3 H -3.499 3.379 0.302 1.00 . A A . 5 ARG HB3 1 1 8 969 1 1 5 ARG HD2 H -1.856 5.194 -0.449 1.00 . A A . 5 ARG HD2 1 1 8 970 1 1 5 ARG HD3 H -1.495 3.515 -0.815 1.00 . A A . 5 ARG HD3 1 1 8 971 1 1 5 ARG HE H -1.355 4.666 -3.236 1.00 . A A . 5 ARG HE 1 1 8 972 1 1 5 ARG HG2 H -3.326 3.857 -2.609 1.00 . A A . 5 ARG HG2 1 1 8 973 1 1 5 ARG HG3 H -3.811 5.201 -1.579 1.00 . A A . 5 ARG HG3 1 1 8 974 1 1 5 ARG HH11 H 0.071 5.542 -0.171 1.00 . A A . 5 ARG HH11 1 1 8 975 1 1 5 ARG HH12 H 1.461 6.285 -0.888 1.00 . A A . 5 ARG HH12 1 1 8 976 1 1 5 ARG HH21 H 0.474 5.643 -4.179 1.00 . A A . 5 ARG HH21 1 1 8 977 1 1 5 ARG HH22 H 1.690 6.342 -3.163 1.00 . A A . 5 ARG HH22 1 1 8 978 1 1 5 ARG N N -2.471 1.475 -1.345 1.00 . A A . 5 ARG N 1 1 8 979 1 1 5 ARG NE N -1.035 4.871 -2.331 1.00 . A A . 5 ARG NE 1 1 8 980 1 1 5 ARG NH1 N 0.590 5.803 -0.985 1.00 . A A . 5 ARG NH1 1 1 8 981 1 1 5 ARG NH2 N 0.820 5.861 -3.266 1.00 . A A . 5 ARG NH2 1 1 8 982 1 1 5 ARG O O -5.825 2.109 -2.498 1.00 . A A . 5 ARG O 1 1 8 983 1 1 6 HIS C C -6.174 0.115 -4.432 1.00 . A A . 6 HIS C 1 1 8 984 1 1 6 HIS CA C -4.788 0.712 -4.656 1.00 . A A . 6 HIS CA 1 1 8 985 1 1 6 HIS CB C -3.954 -0.224 -5.532 1.00 . A A . 6 HIS CB 1 1 8 986 1 1 6 HIS CD2 C -3.590 -1.918 -3.600 1.00 . A A . 6 HIS CD2 1 1 8 987 1 1 6 HIS CE1 C -3.308 -3.726 -4.808 1.00 . A A . 6 HIS CE1 1 1 8 988 1 1 6 HIS CG C -3.696 -1.558 -4.901 1.00 . A A . 6 HIS CG 1 1 8 989 1 1 6 HIS H H -3.201 0.613 -3.262 1.00 . A A . 6 HIS H 1 1 8 990 1 1 6 HIS HA H -4.894 1.661 -5.161 1.00 . A A . 6 HIS HA 1 1 8 991 1 1 6 HIS HB2 H -4.476 -0.394 -6.465 1.00 . A A . 6 HIS HB2 1 1 8 992 1 1 6 HIS HB3 H -2.995 0.241 -5.733 1.00 . A A . 6 HIS HB3 1 1 8 993 1 1 6 HIS HD1 H -3.534 -2.782 -6.609 1.00 . A A . 6 HIS HD1 1 1 8 994 1 1 6 HIS HD2 H -3.678 -1.262 -2.745 1.00 . A A . 6 HIS HD2 1 1 8 995 1 1 6 HIS HE1 H -3.135 -4.751 -5.098 1.00 . A A . 6 HIS HE1 1 1 8 996 1 1 6 HIS HE2 H -3.145 -3.793 -2.767 1.00 . A A . 6 HIS HE2 1 1 8 997 1 1 6 HIS N N -4.108 0.957 -3.389 1.00 . A A . 6 HIS N 1 1 8 998 1 1 6 HIS ND1 N -3.514 -2.714 -5.632 1.00 . A A . 6 HIS ND1 1 1 8 999 1 1 6 HIS NE2 N -3.349 -3.269 -3.570 1.00 . A A . 6 HIS NE2 1 1 8 1000 1 1 6 HIS O O -6.251 -1.050 -3.986 1.00 . A A . 6 HIS O 1 1 9 1001 1 1 1 HIS C C 4.945 -1.557 3.634 1.00 . A A . 1 HIS C 1 1 9 1002 1 1 1 HIS CA C 6.449 -1.616 3.435 1.00 . A A . 1 HIS CA 1 1 9 1003 1 1 1 HIS CB C 6.816 -2.622 2.341 1.00 . A A . 1 HIS CB 1 1 9 1004 1 1 1 HIS CD2 C 8.945 -4.075 2.041 1.00 . A A . 1 HIS CD2 1 1 9 1005 1 1 1 HIS CE1 C 10.447 -2.502 2.313 1.00 . A A . 1 HIS CE1 1 1 9 1006 1 1 1 HIS CG C 8.283 -2.915 2.266 1.00 . A A . 1 HIS CG 1 1 9 1007 1 1 1 HIS H1 H 8.145 -1.743 4.594 1.00 . A A . 1 HIS H1 1 1 9 1008 1 1 1 HIS H2 H 7.030 -3.031 4.811 1.00 . A A . 1 HIS H2 1 1 9 1009 1 1 1 HIS H3 H 6.697 -1.483 5.473 1.00 . A A . 1 HIS H3 1 1 9 1010 1 1 1 HIS HA H 6.783 -0.629 3.145 1.00 . A A . 1 HIS HA 1 1 9 1011 1 1 1 HIS HB2 H 6.301 -3.552 2.528 1.00 . A A . 1 HIS HB2 1 1 9 1012 1 1 1 HIS HB3 H 6.506 -2.231 1.383 1.00 . A A . 1 HIS HB3 1 1 9 1013 1 1 1 HIS HD1 H 9.090 -0.999 2.611 1.00 . A A . 1 HIS HD1 1 1 9 1014 1 1 1 HIS HD2 H 8.499 -5.044 1.867 1.00 . A A . 1 HIS HD2 1 1 9 1015 1 1 1 HIS HE1 H 11.393 -1.987 2.397 1.00 . A A . 1 HIS HE1 1 1 9 1016 1 1 1 HIS HE2 H 11.011 -4.451 2.037 1.00 . A A . 1 HIS HE2 1 1 9 1017 1 1 1 HIS N N 7.143 -2.003 4.692 1.00 . A A . 1 HIS N 1 1 9 1018 1 1 1 HIS ND1 N 9.253 -1.949 2.432 1.00 . A A . 1 HIS ND1 1 1 9 1019 1 1 1 HIS NE2 N 10.288 -3.790 2.076 1.00 . A A . 1 HIS NE2 1 1 9 1020 1 1 1 HIS O O 4.468 -1.395 4.757 1.00 . A A . 1 HIS O 1 1 9 1021 1 1 2 ARG C C 2.061 -2.369 1.553 1.00 . A A . 2 ARG C 1 1 9 1022 1 1 2 ARG CA C 2.753 -1.549 2.625 1.00 . A A . 2 ARG CA 1 1 9 1023 1 1 2 ARG CB C 2.322 -0.087 2.508 1.00 . A A . 2 ARG CB 1 1 9 1024 1 1 2 ARG CD C 3.309 2.111 1.786 1.00 . A A . 2 ARG CD 1 1 9 1025 1 1 2 ARG CG C 3.510 0.837 2.590 1.00 . A A . 2 ARG CG 1 1 9 1026 1 1 2 ARG CZ C 4.513 3.312 0.003 1.00 . A A . 2 ARG CZ 1 1 9 1027 1 1 2 ARG H H 4.626 -1.739 1.664 1.00 . A A . 2 ARG H 1 1 9 1028 1 1 2 ARG HA H 2.478 -1.898 3.584 1.00 . A A . 2 ARG HA 1 1 9 1029 1 1 2 ARG HB2 H 1.816 0.071 1.553 1.00 . A A . 2 ARG HB2 1 1 9 1030 1 1 2 ARG HB3 H 1.646 0.150 3.316 1.00 . A A . 2 ARG HB3 1 1 9 1031 1 1 2 ARG HD2 H 2.289 2.141 1.433 1.00 . A A . 2 ARG HD2 1 1 9 1032 1 1 2 ARG HD3 H 3.491 2.959 2.429 1.00 . A A . 2 ARG HD3 1 1 9 1033 1 1 2 ARG HE H 4.612 1.345 0.326 1.00 . A A . 2 ARG HE 1 1 9 1034 1 1 2 ARG HG2 H 3.704 1.086 3.622 1.00 . A A . 2 ARG HG2 1 1 9 1035 1 1 2 ARG HG3 H 4.347 0.297 2.202 1.00 . A A . 2 ARG HG3 1 1 9 1036 1 1 2 ARG HH11 H 3.360 4.491 1.175 1.00 . A A . 2 ARG HH11 1 1 9 1037 1 1 2 ARG HH12 H 4.220 5.311 -0.085 1.00 . A A . 2 ARG HH12 1 1 9 1038 1 1 2 ARG HH21 H 5.743 2.422 -1.331 1.00 . A A . 2 ARG HH21 1 1 9 1039 1 1 2 ARG HH22 H 5.572 4.137 -1.508 1.00 . A A . 2 ARG HH22 1 1 9 1040 1 1 2 ARG N N 4.198 -1.644 2.540 1.00 . A A . 2 ARG N 1 1 9 1041 1 1 2 ARG NE N 4.211 2.183 0.639 1.00 . A A . 2 ARG NE 1 1 9 1042 1 1 2 ARG NH1 N 3.988 4.466 0.397 1.00 . A A . 2 ARG NH1 1 1 9 1043 1 1 2 ARG NH2 N 5.344 3.289 -1.030 1.00 . A A . 2 ARG NH2 1 1 9 1044 1 1 2 ARG O O 2.628 -2.628 0.491 1.00 . A A . 2 ARG O 1 1 9 1045 1 1 3 PHE C C -0.685 -2.449 -0.064 1.00 . A A . 3 PHE C 1 1 9 1046 1 1 3 PHE CA C 0.021 -3.457 0.833 1.00 . A A . 3 PHE CA 1 1 9 1047 1 1 3 PHE CB C -0.992 -4.371 1.523 1.00 . A A . 3 PHE CB 1 1 9 1048 1 1 3 PHE CD1 C -1.609 -6.776 1.784 1.00 . A A . 3 PHE CD1 1 1 9 1049 1 1 3 PHE CD2 C -0.407 -6.152 -0.177 1.00 . A A . 3 PHE CD2 1 1 9 1050 1 1 3 PHE CE1 C -1.633 -8.090 1.356 1.00 . A A . 3 PHE CE1 1 1 9 1051 1 1 3 PHE CE2 C -0.428 -7.464 -0.611 1.00 . A A . 3 PHE CE2 1 1 9 1052 1 1 3 PHE CG C -0.998 -5.794 1.028 1.00 . A A . 3 PHE CG 1 1 9 1053 1 1 3 PHE CZ C -1.041 -8.435 0.157 1.00 . A A . 3 PHE CZ 1 1 9 1054 1 1 3 PHE H H 0.396 -2.453 2.656 1.00 . A A . 3 PHE H 1 1 9 1055 1 1 3 PHE HA H 0.691 -4.040 0.238 1.00 . A A . 3 PHE HA 1 1 9 1056 1 1 3 PHE HB2 H -0.775 -4.396 2.584 1.00 . A A . 3 PHE HB2 1 1 9 1057 1 1 3 PHE HB3 H -1.980 -3.970 1.371 1.00 . A A . 3 PHE HB3 1 1 9 1058 1 1 3 PHE HD1 H -2.073 -6.503 2.719 1.00 . A A . 3 PHE HD1 1 1 9 1059 1 1 3 PHE HD2 H 0.071 -5.396 -0.780 1.00 . A A . 3 PHE HD2 1 1 9 1060 1 1 3 PHE HE1 H -2.114 -8.846 1.959 1.00 . A A . 3 PHE HE1 1 1 9 1061 1 1 3 PHE HE2 H 0.036 -7.731 -1.549 1.00 . A A . 3 PHE HE2 1 1 9 1062 1 1 3 PHE HZ H -1.059 -9.461 -0.180 1.00 . A A . 3 PHE HZ 1 1 9 1063 1 1 3 PHE N N 0.810 -2.726 1.810 1.00 . A A . 3 PHE N 1 1 9 1064 1 1 3 PHE O O -1.765 -2.703 -0.597 1.00 . A A . 3 PHE O 1 1 9 1065 1 1 4 LEU C C -2.008 0.116 -0.663 1.00 . A A . 4 LEU C 1 1 9 1066 1 1 4 LEU CA C -0.550 -0.188 -0.998 1.00 . A A . 4 LEU CA 1 1 9 1067 1 1 4 LEU CB C -0.400 -0.490 -2.490 1.00 . A A . 4 LEU CB 1 1 9 1068 1 1 4 LEU CD1 C 1.497 -2.086 -2.861 1.00 . A A . 4 LEU CD1 1 1 9 1069 1 1 4 LEU CD2 C 1.170 -0.154 -4.415 1.00 . A A . 4 LEU CD2 1 1 9 1070 1 1 4 LEU CG C 1.041 -0.640 -2.979 1.00 . A A . 4 LEU CG 1 1 9 1071 1 1 4 LEU H H 0.804 -1.171 0.262 1.00 . A A . 4 LEU H 1 1 9 1072 1 1 4 LEU HA H 0.054 0.677 -0.749 1.00 . A A . 4 LEU HA 1 1 9 1073 1 1 4 LEU HB2 H -0.929 -1.408 -2.704 1.00 . A A . 4 LEU HB2 1 1 9 1074 1 1 4 LEU HB3 H -0.864 0.310 -3.047 1.00 . A A . 4 LEU HB3 1 1 9 1075 1 1 4 LEU HD11 H 0.669 -2.744 -3.078 1.00 . A A . 4 LEU HD11 1 1 9 1076 1 1 4 LEU HD12 H 1.850 -2.271 -1.857 1.00 . A A . 4 LEU HD12 1 1 9 1077 1 1 4 LEU HD13 H 2.297 -2.270 -3.563 1.00 . A A . 4 LEU HD13 1 1 9 1078 1 1 4 LEU HD21 H 1.918 -0.740 -4.928 1.00 . A A . 4 LEU HD21 1 1 9 1079 1 1 4 LEU HD22 H 1.461 0.886 -4.418 1.00 . A A . 4 LEU HD22 1 1 9 1080 1 1 4 LEU HD23 H 0.220 -0.263 -4.918 1.00 . A A . 4 LEU HD23 1 1 9 1081 1 1 4 LEU HG H 1.688 -0.035 -2.361 1.00 . A A . 4 LEU HG 1 1 9 1082 1 1 4 LEU N N -0.044 -1.290 -0.201 1.00 . A A . 4 LEU N 1 1 9 1083 1 1 4 LEU O O -2.598 -0.511 0.217 1.00 . A A . 4 LEU O 1 1 9 1084 1 1 5 ARG C C -4.703 1.691 -2.465 1.00 . A A . 5 ARG C 1 1 9 1085 1 1 5 ARG CA C -3.971 1.473 -1.144 1.00 . A A . 5 ARG CA 1 1 9 1086 1 1 5 ARG CB C -4.033 2.747 -0.306 1.00 . A A . 5 ARG CB 1 1 9 1087 1 1 5 ARG CD C -1.857 3.883 -0.464 1.00 . A A . 5 ARG CD 1 1 9 1088 1 1 5 ARG CG C -3.280 3.895 -0.926 1.00 . A A . 5 ARG CG 1 1 9 1089 1 1 5 ARG CZ C 0.204 5.112 -1.025 1.00 . A A . 5 ARG CZ 1 1 9 1090 1 1 5 ARG H H -2.062 1.551 -2.055 1.00 . A A . 5 ARG H 1 1 9 1091 1 1 5 ARG HA H -4.448 0.678 -0.602 1.00 . A A . 5 ARG HA 1 1 9 1092 1 1 5 ARG HB2 H -5.063 3.049 -0.187 1.00 . A A . 5 ARG HB2 1 1 9 1093 1 1 5 ARG HB3 H -3.599 2.544 0.670 1.00 . A A . 5 ARG HB3 1 1 9 1094 1 1 5 ARG HD2 H -1.831 4.343 0.497 1.00 . A A . 5 ARG HD2 1 1 9 1095 1 1 5 ARG HD3 H -1.533 2.854 -0.384 1.00 . A A . 5 ARG HD3 1 1 9 1096 1 1 5 ARG HE H -1.272 4.705 -2.307 1.00 . A A . 5 ARG HE 1 1 9 1097 1 1 5 ARG HG2 H -3.298 3.800 -1.993 1.00 . A A . 5 ARG HG2 1 1 9 1098 1 1 5 ARG HG3 H -3.740 4.826 -0.629 1.00 . A A . 5 ARG HG3 1 1 9 1099 1 1 5 ARG HH11 H 0.093 4.503 0.901 1.00 . A A . 5 ARG HH11 1 1 9 1100 1 1 5 ARG HH12 H 1.530 5.373 0.480 1.00 . A A . 5 ARG HH12 1 1 9 1101 1 1 5 ARG HH21 H 0.619 5.848 -2.861 1.00 . A A . 5 ARG HH21 1 1 9 1102 1 1 5 ARG HH22 H 1.828 6.137 -1.655 1.00 . A A . 5 ARG HH22 1 1 9 1103 1 1 5 ARG N N -2.583 1.085 -1.369 1.00 . A A . 5 ARG N 1 1 9 1104 1 1 5 ARG NE N -0.972 4.600 -1.379 1.00 . A A . 5 ARG NE 1 1 9 1105 1 1 5 ARG NH1 N 0.645 4.986 0.221 1.00 . A A . 5 ARG NH1 1 1 9 1106 1 1 5 ARG NH2 N 0.945 5.751 -1.920 1.00 . A A . 5 ARG NH2 1 1 9 1107 1 1 5 ARG O O -5.759 2.323 -2.502 1.00 . A A . 5 ARG O 1 1 9 1108 1 1 6 HIS C C -6.185 0.845 -4.875 1.00 . A A . 6 HIS C 1 1 9 1109 1 1 6 HIS CA C -4.734 1.321 -4.873 1.00 . A A . 6 HIS CA 1 1 9 1110 1 1 6 HIS CB C -3.927 0.540 -5.912 1.00 . A A . 6 HIS CB 1 1 9 1111 1 1 6 HIS CD2 C -3.507 -1.674 -4.625 1.00 . A A . 6 HIS CD2 1 1 9 1112 1 1 6 HIS CE1 C -4.281 -3.070 -6.128 1.00 . A A . 6 HIS CE1 1 1 9 1113 1 1 6 HIS CG C -3.929 -0.940 -5.682 1.00 . A A . 6 HIS CG 1 1 9 1114 1 1 6 HIS H H -3.291 0.683 -3.464 1.00 . A A . 6 HIS H 1 1 9 1115 1 1 6 HIS HA H -4.711 2.370 -5.128 1.00 . A A . 6 HIS HA 1 1 9 1116 1 1 6 HIS HB2 H -4.345 0.723 -6.894 1.00 . A A . 6 HIS HB2 1 1 9 1117 1 1 6 HIS HB3 H -2.898 0.880 -5.888 1.00 . A A . 6 HIS HB3 1 1 9 1118 1 1 6 HIS HD1 H -4.786 -1.622 -7.483 1.00 . A A . 6 HIS HD1 1 1 9 1119 1 1 6 HIS HD2 H -3.070 -1.292 -3.713 1.00 . A A . 6 HIS HD2 1 1 9 1120 1 1 6 HIS HE1 H -4.572 -3.979 -6.633 1.00 . A A . 6 HIS HE1 1 1 9 1121 1 1 6 HIS HE2 H -3.608 -3.749 -4.317 1.00 . A A . 6 HIS HE2 1 1 9 1122 1 1 6 HIS N N -4.135 1.172 -3.551 1.00 . A A . 6 HIS N 1 1 9 1123 1 1 6 HIS ND1 N -4.408 -1.845 -6.607 1.00 . A A . 6 HIS ND1 1 1 9 1124 1 1 6 HIS NE2 N -3.737 -2.993 -4.928 1.00 . A A . 6 HIS NE2 1 1 9 1125 1 1 6 HIS O O -6.412 -0.358 -4.628 1.00 . A A . 6 HIS O 1 1 10 1126 1 1 1 HIS C C 4.877 -1.655 3.676 1.00 . A A . 1 HIS C 1 1 10 1127 1 1 1 HIS CA C 6.383 -1.784 3.547 1.00 . A A . 1 HIS CA 1 1 10 1128 1 1 1 HIS CB C 6.753 -2.829 2.491 1.00 . A A . 1 HIS CB 1 1 10 1129 1 1 1 HIS CD2 C 8.803 -4.418 2.555 1.00 . A A . 1 HIS CD2 1 1 10 1130 1 1 1 HIS CE1 C 10.385 -2.902 2.482 1.00 . A A . 1 HIS CE1 1 1 10 1131 1 1 1 HIS CG C 8.202 -3.205 2.503 1.00 . A A . 1 HIS CG 1 1 10 1132 1 1 1 HIS H1 H 6.719 -3.152 5.047 1.00 . A A . 1 HIS H1 1 1 10 1133 1 1 1 HIS H2 H 6.647 -1.519 5.570 1.00 . A A . 1 HIS H2 1 1 10 1134 1 1 1 HIS H3 H 8.033 -2.095 4.737 1.00 . A A . 1 HIS H3 1 1 10 1135 1 1 1 HIS HA H 6.775 -0.820 3.253 1.00 . A A . 1 HIS HA 1 1 10 1136 1 1 1 HIS HB2 H 6.176 -3.725 2.664 1.00 . A A . 1 HIS HB2 1 1 10 1137 1 1 1 HIS HB3 H 6.518 -2.440 1.512 1.00 . A A . 1 HIS HB3 1 1 10 1138 1 1 1 HIS HD1 H 9.108 -1.304 2.416 1.00 . A A . 1 HIS HD1 1 1 10 1139 1 1 1 HIS HD2 H 8.307 -5.377 2.599 1.00 . A A . 1 HIS HD2 1 1 10 1140 1 1 1 HIS HE1 H 11.356 -2.430 2.458 1.00 . A A . 1 HIS HE1 1 1 10 1141 1 1 1 HIS HE2 H 10.846 -4.889 2.666 1.00 . A A . 1 HIS HE2 1 1 10 1142 1 1 1 HIS N N 7.001 -2.173 4.842 1.00 . A A . 1 HIS N 1 1 10 1143 1 1 1 HIS ND1 N 9.221 -2.277 2.459 1.00 . A A . 1 HIS ND1 1 1 10 1144 1 1 1 HIS NE2 N 10.159 -4.201 2.541 1.00 . A A . 1 HIS NE2 1 1 10 1145 1 1 1 HIS O O 4.355 -1.462 4.775 1.00 . A A . 1 HIS O 1 1 10 1146 1 1 2 ARG C C 2.064 -2.312 1.430 1.00 . A A . 2 ARG C 1 1 10 1147 1 1 2 ARG CA C 2.735 -1.562 2.565 1.00 . A A . 2 ARG CA 1 1 10 1148 1 1 2 ARG CB C 2.374 -0.077 2.479 1.00 . A A . 2 ARG CB 1 1 10 1149 1 1 2 ARG CD C 3.483 2.025 1.665 1.00 . A A . 2 ARG CD 1 1 10 1150 1 1 2 ARG CG C 3.606 0.787 2.539 1.00 . A A . 2 ARG CG 1 1 10 1151 1 1 2 ARG CZ C 4.550 2.895 -0.380 1.00 . A A . 2 ARG CZ 1 1 10 1152 1 1 2 ARG H H 4.642 -1.844 1.695 1.00 . A A . 2 ARG H 1 1 10 1153 1 1 2 ARG HA H 2.396 -1.930 3.495 1.00 . A A . 2 ARG HA 1 1 10 1154 1 1 2 ARG HB2 H 1.849 0.119 1.542 1.00 . A A . 2 ARG HB2 1 1 10 1155 1 1 2 ARG HB3 H 1.733 0.181 3.309 1.00 . A A . 2 ARG HB3 1 1 10 1156 1 1 2 ARG HD2 H 2.438 2.202 1.459 1.00 . A A . 2 ARG HD2 1 1 10 1157 1 1 2 ARG HD3 H 3.892 2.869 2.199 1.00 . A A . 2 ARG HD3 1 1 10 1158 1 1 2 ARG HE H 4.422 0.964 0.112 1.00 . A A . 2 ARG HE 1 1 10 1159 1 1 2 ARG HG2 H 3.794 1.080 3.560 1.00 . A A . 2 ARG HG2 1 1 10 1160 1 1 2 ARG HG3 H 4.420 0.186 2.194 1.00 . A A . 2 ARG HG3 1 1 10 1161 1 1 2 ARG HH11 H 3.773 4.318 0.830 1.00 . A A . 2 ARG HH11 1 1 10 1162 1 1 2 ARG HH12 H 4.529 4.903 -0.614 1.00 . A A . 2 ARG HH12 1 1 10 1163 1 1 2 ARG HH21 H 5.417 1.733 -1.789 1.00 . A A . 2 ARG HH21 1 1 10 1164 1 1 2 ARG HH22 H 5.462 3.436 -2.100 1.00 . A A . 2 ARG HH22 1 1 10 1165 1 1 2 ARG N N 4.178 -1.720 2.549 1.00 . A A . 2 ARG N 1 1 10 1166 1 1 2 ARG NE N 4.196 1.874 0.398 1.00 . A A . 2 ARG NE 1 1 10 1167 1 1 2 ARG NH1 N 4.260 4.140 -0.026 1.00 . A A . 2 ARG NH1 1 1 10 1168 1 1 2 ARG NH2 N 5.196 2.670 -1.516 1.00 . A A . 2 ARG NH2 1 1 10 1169 1 1 2 ARG O O 2.655 -2.513 0.369 1.00 . A A . 2 ARG O 1 1 10 1170 1 1 3 PHE C C -0.654 -2.271 -0.244 1.00 . A A . 3 PHE C 1 1 10 1171 1 1 3 PHE CA C 0.036 -3.336 0.598 1.00 . A A . 3 PHE CA 1 1 10 1172 1 1 3 PHE CB C -0.989 -4.295 1.205 1.00 . A A . 3 PHE CB 1 1 10 1173 1 1 3 PHE CD1 C -1.628 -6.708 1.263 1.00 . A A . 3 PHE CD1 1 1 10 1174 1 1 3 PHE CD2 C -0.391 -5.939 -0.623 1.00 . A A . 3 PHE CD2 1 1 10 1175 1 1 3 PHE CE1 C -1.655 -7.983 0.731 1.00 . A A . 3 PHE CE1 1 1 10 1176 1 1 3 PHE CE2 C -0.414 -7.212 -1.161 1.00 . A A . 3 PHE CE2 1 1 10 1177 1 1 3 PHE CG C -0.999 -5.674 0.598 1.00 . A A . 3 PHE CG 1 1 10 1178 1 1 3 PHE CZ C -1.047 -8.235 -0.483 1.00 . A A . 3 PHE CZ 1 1 10 1179 1 1 3 PHE H H 0.371 -2.445 2.485 1.00 . A A . 3 PHE H 1 1 10 1180 1 1 3 PHE HA H 0.717 -3.879 -0.022 1.00 . A A . 3 PHE HA 1 1 10 1181 1 1 3 PHE HB2 H -0.782 -4.405 2.262 1.00 . A A . 3 PHE HB2 1 1 10 1182 1 1 3 PHE HB3 H -1.973 -3.875 1.077 1.00 . A A . 3 PHE HB3 1 1 10 1183 1 1 3 PHE HD1 H -2.105 -6.507 2.210 1.00 . A A . 3 PHE HD1 1 1 10 1184 1 1 3 PHE HD2 H 0.103 -5.141 -1.156 1.00 . A A . 3 PHE HD2 1 1 10 1185 1 1 3 PHE HE1 H -2.152 -8.781 1.263 1.00 . A A . 3 PHE HE1 1 1 10 1186 1 1 3 PHE HE2 H 0.063 -7.406 -2.110 1.00 . A A . 3 PHE HE2 1 1 10 1187 1 1 3 PHE HZ H -1.066 -9.231 -0.901 1.00 . A A . 3 PHE HZ 1 1 10 1188 1 1 3 PHE N N 0.804 -2.672 1.635 1.00 . A A . 3 PHE N 1 1 10 1189 1 1 3 PHE O O -1.728 -2.485 -0.805 1.00 . A A . 3 PHE O 1 1 10 1190 1 1 4 LEU C C -1.957 0.335 -0.695 1.00 . A A . 4 LEU C 1 1 10 1191 1 1 4 LEU CA C -0.496 0.042 -1.032 1.00 . A A . 4 LEU CA 1 1 10 1192 1 1 4 LEU CB C -0.331 -0.168 -2.538 1.00 . A A . 4 LEU CB 1 1 10 1193 1 1 4 LEU CD1 C 1.967 -0.943 -3.174 1.00 . A A . 4 LEU CD1 1 1 10 1194 1 1 4 LEU CD2 C 0.861 0.881 -4.479 1.00 . A A . 4 LEU CD2 1 1 10 1195 1 1 4 LEU CG C 1.027 0.250 -3.105 1.00 . A A . 4 LEU CG 1 1 10 1196 1 1 4 LEU H H 0.836 -1.023 0.181 1.00 . A A . 4 LEU H 1 1 10 1197 1 1 4 LEU HA H 0.109 0.887 -0.724 1.00 . A A . 4 LEU HA 1 1 10 1198 1 1 4 LEU HB2 H -0.480 -1.217 -2.752 1.00 . A A . 4 LEU HB2 1 1 10 1199 1 1 4 LEU HB3 H -1.098 0.398 -3.046 1.00 . A A . 4 LEU HB3 1 1 10 1200 1 1 4 LEU HD11 H 1.510 -1.727 -3.760 1.00 . A A . 4 LEU HD11 1 1 10 1201 1 1 4 LEU HD12 H 2.161 -1.307 -2.176 1.00 . A A . 4 LEU HD12 1 1 10 1202 1 1 4 LEU HD13 H 2.896 -0.643 -3.636 1.00 . A A . 4 LEU HD13 1 1 10 1203 1 1 4 LEU HD21 H 1.754 1.433 -4.732 1.00 . A A . 4 LEU HD21 1 1 10 1204 1 1 4 LEU HD22 H 0.014 1.551 -4.468 1.00 . A A . 4 LEU HD22 1 1 10 1205 1 1 4 LEU HD23 H 0.697 0.106 -5.213 1.00 . A A . 4 LEU HD23 1 1 10 1206 1 1 4 LEU HG H 1.471 0.986 -2.450 1.00 . A A . 4 LEU HG 1 1 10 1207 1 1 4 LEU N N -0.006 -1.109 -0.299 1.00 . A A . 4 LEU N 1 1 10 1208 1 1 4 LEU O O -2.559 -0.341 0.140 1.00 . A A . 4 LEU O 1 1 10 1209 1 1 5 ARG C C -4.745 1.589 -2.384 1.00 . A A . 5 ARG C 1 1 10 1210 1 1 5 ARG CA C -3.908 1.729 -1.114 1.00 . A A . 5 ARG CA 1 1 10 1211 1 1 5 ARG CB C -3.981 3.167 -0.608 1.00 . A A . 5 ARG CB 1 1 10 1212 1 1 5 ARG CD C -1.844 4.295 -1.087 1.00 . A A . 5 ARG CD 1 1 10 1213 1 1 5 ARG CG C -3.272 4.147 -1.509 1.00 . A A . 5 ARG CG 1 1 10 1214 1 1 5 ARG CZ C 0.160 5.433 -1.961 1.00 . A A . 5 ARG CZ 1 1 10 1215 1 1 5 ARG H H -1.988 1.850 -2.000 1.00 . A A . 5 ARG H 1 1 10 1216 1 1 5 ARG HA H -4.303 1.077 -0.357 1.00 . A A . 5 ARG HA 1 1 10 1217 1 1 5 ARG HB2 H -5.015 3.470 -0.535 1.00 . A A . 5 ARG HB2 1 1 10 1218 1 1 5 ARG HB3 H -3.519 3.215 0.375 1.00 . A A . 5 ARG HB3 1 1 10 1219 1 1 5 ARG HD2 H -1.825 4.968 -0.259 1.00 . A A . 5 ARG HD2 1 1 10 1220 1 1 5 ARG HD3 H -1.475 3.327 -0.777 1.00 . A A . 5 ARG HD3 1 1 10 1221 1 1 5 ARG HE H -1.319 4.696 -3.082 1.00 . A A . 5 ARG HE 1 1 10 1222 1 1 5 ARG HG2 H -3.298 3.787 -2.517 1.00 . A A . 5 ARG HG2 1 1 10 1223 1 1 5 ARG HG3 H -3.762 5.107 -1.447 1.00 . A A . 5 ARG HG3 1 1 10 1224 1 1 5 ARG HH11 H 0.100 5.277 0.055 1.00 . A A . 5 ARG HH11 1 1 10 1225 1 1 5 ARG HH12 H 1.496 6.075 -0.586 1.00 . A A . 5 ARG HH12 1 1 10 1226 1 1 5 ARG HH21 H 0.519 5.746 -3.925 1.00 . A A . 5 ARG HH21 1 1 10 1227 1 1 5 ARG HH22 H 1.734 6.342 -2.844 1.00 . A A . 5 ARG HH22 1 1 10 1228 1 1 5 ARG N N -2.519 1.347 -1.347 1.00 . A A . 5 ARG N 1 1 10 1229 1 1 5 ARG NE N -1.002 4.815 -2.161 1.00 . A A . 5 ARG NE 1 1 10 1230 1 1 5 ARG NH1 N 0.623 5.609 -0.729 1.00 . A A . 5 ARG NH1 1 1 10 1231 1 1 5 ARG NH2 N 0.862 5.877 -2.995 1.00 . A A . 5 ARG NH2 1 1 10 1232 1 1 5 ARG O O -5.945 1.864 -2.377 1.00 . A A . 5 ARG O 1 1 10 1233 1 1 6 HIS C C -6.108 0.240 -4.579 1.00 . A A . 6 HIS C 1 1 10 1234 1 1 6 HIS CA C -4.795 1.000 -4.752 1.00 . A A . 6 HIS CA 1 1 10 1235 1 1 6 HIS CB C -3.896 0.263 -5.745 1.00 . A A . 6 HIS CB 1 1 10 1236 1 1 6 HIS CD2 C -2.902 -2.123 -5.975 1.00 . A A . 6 HIS CD2 1 1 10 1237 1 1 6 HIS CE1 C -3.489 -2.905 -4.012 1.00 . A A . 6 HIS CE1 1 1 10 1238 1 1 6 HIS CG C -3.562 -1.135 -5.324 1.00 . A A . 6 HIS CG 1 1 10 1239 1 1 6 HIS H H -3.150 0.968 -3.424 1.00 . A A . 6 HIS H 1 1 10 1240 1 1 6 HIS HA H -5.011 1.985 -5.140 1.00 . A A . 6 HIS HA 1 1 10 1241 1 1 6 HIS HB2 H -4.397 0.209 -6.704 1.00 . A A . 6 HIS HB2 1 1 10 1242 1 1 6 HIS HB3 H -2.966 0.810 -5.854 1.00 . A A . 6 HIS HB3 1 1 10 1243 1 1 6 HIS HD1 H -4.407 -1.184 -3.394 1.00 . A A . 6 HIS HD1 1 1 10 1244 1 1 6 HIS HD2 H -2.480 -2.065 -6.968 1.00 . A A . 6 HIS HD2 1 1 10 1245 1 1 6 HIS HE1 H -3.623 -3.562 -3.166 1.00 . A A . 6 HIS HE1 1 1 10 1246 1 1 6 HIS HE2 H -2.387 -4.046 -5.307 1.00 . A A . 6 HIS HE2 1 1 10 1247 1 1 6 HIS N N -4.107 1.167 -3.476 1.00 . A A . 6 HIS N 1 1 10 1248 1 1 6 HIS ND1 N -3.916 -1.657 -4.098 1.00 . A A . 6 HIS ND1 1 1 10 1249 1 1 6 HIS NE2 N -2.872 -3.211 -5.138 1.00 . A A . 6 HIS NE2 1 1 10 1250 1 1 6 HIS O O -6.296 -0.379 -3.511 1.00 . A A . 6 HIS O 1 1 11 1251 1 1 1 HIS C C 4.880 -1.626 3.693 1.00 . A A . 1 HIS C 1 1 11 1252 1 1 1 HIS CA C 6.388 -1.721 3.558 1.00 . A A . 1 HIS CA 1 1 11 1253 1 1 1 HIS CB C 6.775 -2.734 2.478 1.00 . A A . 1 HIS CB 1 1 11 1254 1 1 1 HIS CD2 C 6.537 -2.305 -0.070 1.00 . A A . 1 HIS CD2 1 1 11 1255 1 1 1 HIS CE1 C 8.109 -0.793 -0.288 1.00 . A A . 1 HIS CE1 1 1 11 1256 1 1 1 HIS CG C 7.085 -2.109 1.153 1.00 . A A . 1 HIS CG 1 1 11 1257 1 1 1 HIS H1 H 6.886 -3.151 4.950 1.00 . A A . 1 HIS H1 1 1 11 1258 1 1 1 HIS H2 H 6.550 -1.601 5.605 1.00 . A A . 1 HIS H2 1 1 11 1259 1 1 1 HIS H3 H 8.031 -1.886 4.786 1.00 . A A . 1 HIS H3 1 1 11 1260 1 1 1 HIS HA H 6.758 -0.743 3.283 1.00 . A A . 1 HIS HA 1 1 11 1261 1 1 1 HIS HB2 H 7.650 -3.277 2.801 1.00 . A A . 1 HIS HB2 1 1 11 1262 1 1 1 HIS HB3 H 5.958 -3.427 2.336 1.00 . A A . 1 HIS HB3 1 1 11 1263 1 1 1 HIS HD1 H 8.646 -0.798 1.686 1.00 . A A . 1 HIS HD1 1 1 11 1264 1 1 1 HIS HD2 H 5.733 -2.988 -0.310 1.00 . A A . 1 HIS HD2 1 1 11 1265 1 1 1 HIS HE1 H 8.781 -0.063 -0.715 1.00 . A A . 1 HIS HE1 1 1 11 1266 1 1 1 HIS HE2 H 6.951 -1.338 -1.887 1.00 . A A . 1 HIS HE2 1 1 11 1267 1 1 1 HIS N N 7.021 -2.126 4.840 1.00 . A A . 1 HIS N 1 1 11 1268 1 1 1 HIS ND1 N 8.067 -1.156 0.982 1.00 . A A . 1 HIS ND1 1 1 11 1269 1 1 1 HIS NE2 N 7.191 -1.476 -0.947 1.00 . A A . 1 HIS NE2 1 1 11 1270 1 1 1 HIS O O 4.357 -1.462 4.796 1.00 . A A . 1 HIS O 1 1 11 1271 1 1 2 ARG C C 2.074 -2.332 1.460 1.00 . A A . 2 ARG C 1 1 11 1272 1 1 2 ARG CA C 2.734 -1.561 2.588 1.00 . A A . 2 ARG CA 1 1 11 1273 1 1 2 ARG CB C 2.340 -0.086 2.496 1.00 . A A . 2 ARG CB 1 1 11 1274 1 1 2 ARG CD C 3.405 2.084 1.807 1.00 . A A . 2 ARG CD 1 1 11 1275 1 1 2 ARG CG C 3.548 0.807 2.619 1.00 . A A . 2 ARG CG 1 1 11 1276 1 1 2 ARG CZ C 1.824 3.526 3.032 1.00 . A A . 2 ARG CZ 1 1 11 1277 1 1 2 ARG H H 4.644 -1.788 1.709 1.00 . A A . 2 ARG H 1 1 11 1278 1 1 2 ARG HA H 2.407 -1.932 3.522 1.00 . A A . 2 ARG HA 1 1 11 1279 1 1 2 ARG HB2 H 1.854 0.105 1.536 1.00 . A A . 2 ARG HB2 1 1 11 1280 1 1 2 ARG HB3 H 1.655 0.150 3.297 1.00 . A A . 2 ARG HB3 1 1 11 1281 1 1 2 ARG HD2 H 4.341 2.283 1.307 1.00 . A A . 2 ARG HD2 1 1 11 1282 1 1 2 ARG HD3 H 2.628 1.943 1.070 1.00 . A A . 2 ARG HD3 1 1 11 1283 1 1 2 ARG HE H 3.796 3.816 2.932 1.00 . A A . 2 ARG HE 1 1 11 1284 1 1 2 ARG HG2 H 3.713 1.052 3.657 1.00 . A A . 2 ARG HG2 1 1 11 1285 1 1 2 ARG HG3 H 4.383 0.246 2.258 1.00 . A A . 2 ARG HG3 1 1 11 1286 1 1 2 ARG HH11 H 0.963 1.951 2.099 1.00 . A A . 2 ARG HH11 1 1 11 1287 1 1 2 ARG HH12 H -0.123 2.985 2.963 1.00 . A A . 2 ARG HH12 1 1 11 1288 1 1 2 ARG HH21 H 2.366 5.175 4.067 1.00 . A A . 2 ARG HH21 1 1 11 1289 1 1 2 ARG HH22 H 0.672 4.814 4.080 1.00 . A A . 2 ARG HH22 1 1 11 1290 1 1 2 ARG N N 4.179 -1.688 2.566 1.00 . A A . 2 ARG N 1 1 11 1291 1 1 2 ARG NE N 3.063 3.232 2.644 1.00 . A A . 2 ARG NE 1 1 11 1292 1 1 2 ARG NH1 N 0.804 2.757 2.668 1.00 . A A . 2 ARG NH1 1 1 11 1293 1 1 2 ARG NH2 N 1.602 4.592 3.789 1.00 . A A . 2 ARG NH2 1 1 11 1294 1 1 2 ARG O O 2.673 -2.546 0.407 1.00 . A A . 2 ARG O 1 1 11 1295 1 1 3 PHE C C -0.636 -2.331 -0.230 1.00 . A A . 3 PHE C 1 1 11 1296 1 1 3 PHE CA C 0.056 -3.379 0.632 1.00 . A A . 3 PHE CA 1 1 11 1297 1 1 3 PHE CB C -0.966 -4.334 1.250 1.00 . A A . 3 PHE CB 1 1 11 1298 1 1 3 PHE CD1 C -1.583 -6.750 1.355 1.00 . A A . 3 PHE CD1 1 1 11 1299 1 1 3 PHE CD2 C -0.348 -6.008 -0.543 1.00 . A A . 3 PHE CD2 1 1 11 1300 1 1 3 PHE CE1 C -1.597 -8.036 0.849 1.00 . A A . 3 PHE CE1 1 1 11 1301 1 1 3 PHE CE2 C -0.358 -7.292 -1.055 1.00 . A A . 3 PHE CE2 1 1 11 1302 1 1 3 PHE CG C -0.962 -5.724 0.671 1.00 . A A . 3 PHE CG 1 1 11 1303 1 1 3 PHE CZ C -0.983 -8.307 -0.358 1.00 . A A . 3 PHE CZ 1 1 11 1304 1 1 3 PHE H H 0.376 -2.457 2.507 1.00 . A A . 3 PHE H 1 1 11 1305 1 1 3 PHE HA H 0.744 -3.929 0.025 1.00 . A A . 3 PHE HA 1 1 11 1306 1 1 3 PHE HB2 H -0.767 -4.422 2.311 1.00 . A A . 3 PHE HB2 1 1 11 1307 1 1 3 PHE HB3 H -1.953 -3.925 1.106 1.00 . A A . 3 PHE HB3 1 1 11 1308 1 1 3 PHE HD1 H -2.065 -6.535 2.296 1.00 . A A . 3 PHE HD1 1 1 11 1309 1 1 3 PHE HD2 H 0.139 -5.217 -1.091 1.00 . A A . 3 PHE HD2 1 1 11 1310 1 1 3 PHE HE1 H -2.087 -8.828 1.396 1.00 . A A . 3 PHE HE1 1 1 11 1311 1 1 3 PHE HE2 H 0.123 -7.501 -1.999 1.00 . A A . 3 PHE HE2 1 1 11 1312 1 1 3 PHE HZ H -0.992 -9.311 -0.756 1.00 . A A . 3 PHE HZ 1 1 11 1313 1 1 3 PHE N N 0.815 -2.694 1.663 1.00 . A A . 3 PHE N 1 1 11 1314 1 1 3 PHE O O -1.703 -2.562 -0.797 1.00 . A A . 3 PHE O 1 1 11 1315 1 1 4 LEU C C -1.949 0.270 -0.717 1.00 . A A . 4 LEU C 1 1 11 1316 1 1 4 LEU CA C -0.489 -0.027 -1.050 1.00 . A A . 4 LEU CA 1 1 11 1317 1 1 4 LEU CB C -0.325 -0.263 -2.552 1.00 . A A . 4 LEU CB 1 1 11 1318 1 1 4 LEU CD1 C 1.734 -1.603 -3.049 1.00 . A A . 4 LEU CD1 1 1 11 1319 1 1 4 LEU CD2 C 1.166 0.380 -4.462 1.00 . A A . 4 LEU CD2 1 1 11 1320 1 1 4 LEU CG C 1.116 -0.214 -3.062 1.00 . A A . 4 LEU CG 1 1 11 1321 1 1 4 LEU H H 0.842 -1.067 0.189 1.00 . A A . 4 LEU H 1 1 11 1322 1 1 4 LEU HA H 0.116 0.822 -0.757 1.00 . A A . 4 LEU HA 1 1 11 1323 1 1 4 LEU HB2 H -0.737 -1.234 -2.789 1.00 . A A . 4 LEU HB2 1 1 11 1324 1 1 4 LEU HB3 H -0.895 0.489 -3.077 1.00 . A A . 4 LEU HB3 1 1 11 1325 1 1 4 LEU HD11 H 2.811 -1.518 -3.030 1.00 . A A . 4 LEU HD11 1 1 11 1326 1 1 4 LEU HD12 H 1.431 -2.140 -3.935 1.00 . A A . 4 LEU HD12 1 1 11 1327 1 1 4 LEU HD13 H 1.400 -2.138 -2.172 1.00 . A A . 4 LEU HD13 1 1 11 1328 1 1 4 LEU HD21 H 1.959 -0.089 -5.024 1.00 . A A . 4 LEU HD21 1 1 11 1329 1 1 4 LEU HD22 H 1.352 1.442 -4.396 1.00 . A A . 4 LEU HD22 1 1 11 1330 1 1 4 LEU HD23 H 0.223 0.210 -4.959 1.00 . A A . 4 LEU HD23 1 1 11 1331 1 1 4 LEU HG H 1.700 0.417 -2.409 1.00 . A A . 4 LEU HG 1 1 11 1332 1 1 4 LEU N N 0.003 -1.165 -0.297 1.00 . A A . 4 LEU N 1 1 11 1333 1 1 4 LEU O O -2.560 -0.412 0.107 1.00 . A A . 4 LEU O 1 1 11 1334 1 1 5 ARG C C -4.674 1.710 -2.441 1.00 . A A . 5 ARG C 1 1 11 1335 1 1 5 ARG CA C -3.889 1.682 -1.133 1.00 . A A . 5 ARG CA 1 1 11 1336 1 1 5 ARG CB C -3.949 3.055 -0.470 1.00 . A A . 5 ARG CB 1 1 11 1337 1 1 5 ARG CD C -1.811 4.203 -0.868 1.00 . A A . 5 ARG CD 1 1 11 1338 1 1 5 ARG CG C -3.250 4.125 -1.267 1.00 . A A . 5 ARG CG 1 1 11 1339 1 1 5 ARG CZ C 0.198 5.377 -1.681 1.00 . A A . 5 ARG CZ 1 1 11 1340 1 1 5 ARG H H -1.963 1.799 -2.005 1.00 . A A . 5 ARG H 1 1 11 1341 1 1 5 ARG HA H -4.327 0.958 -0.472 1.00 . A A . 5 ARG HA 1 1 11 1342 1 1 5 ARG HB2 H -4.980 3.350 -0.348 1.00 . A A . 5 ARG HB2 1 1 11 1343 1 1 5 ARG HB3 H -3.471 2.992 0.505 1.00 . A A . 5 ARG HB3 1 1 11 1344 1 1 5 ARG HD2 H -1.759 4.798 0.016 1.00 . A A . 5 ARG HD2 1 1 11 1345 1 1 5 ARG HD3 H -1.461 3.202 -0.653 1.00 . A A . 5 ARG HD3 1 1 11 1346 1 1 5 ARG HE H -1.311 4.755 -2.832 1.00 . A A . 5 ARG HE 1 1 11 1347 1 1 5 ARG HG2 H -3.307 3.889 -2.310 1.00 . A A . 5 ARG HG2 1 1 11 1348 1 1 5 ARG HG3 H -3.722 5.078 -1.078 1.00 . A A . 5 ARG HG3 1 1 11 1349 1 1 5 ARG HH11 H 0.170 5.057 0.316 1.00 . A A . 5 ARG HH11 1 1 11 1350 1 1 5 ARG HH12 H 1.568 5.884 -0.284 1.00 . A A . 5 ARG HH12 1 1 11 1351 1 1 5 ARG HH21 H 0.529 5.842 -3.620 1.00 . A A . 5 ARG HH21 1 1 11 1352 1 1 5 ARG HH22 H 1.772 6.330 -2.517 1.00 . A A . 5 ARG HH22 1 1 11 1353 1 1 5 ARG N N -2.501 1.293 -1.361 1.00 . A A . 5 ARG N 1 1 11 1354 1 1 5 ARG NE N -0.977 4.794 -1.911 1.00 . A A . 5 ARG NE 1 1 11 1355 1 1 5 ARG NH1 N 0.685 5.445 -0.448 1.00 . A A . 5 ARG NH1 1 1 11 1356 1 1 5 ARG NH2 N 0.889 5.892 -2.689 1.00 . A A . 5 ARG NH2 1 1 11 1357 1 1 5 ARG O O -5.724 2.346 -2.531 1.00 . A A . 5 ARG O 1 1 11 1358 1 1 6 HIS C C -6.267 0.549 -4.633 1.00 . A A . 6 HIS C 1 1 11 1359 1 1 6 HIS CA C -4.808 0.979 -4.762 1.00 . A A . 6 HIS CA 1 1 11 1360 1 1 6 HIS CB C -4.063 0.023 -5.694 1.00 . A A . 6 HIS CB 1 1 11 1361 1 1 6 HIS CD2 C -4.958 -2.397 -5.419 1.00 . A A . 6 HIS CD2 1 1 11 1362 1 1 6 HIS CE1 C -3.340 -3.197 -4.176 1.00 . A A . 6 HIS CE1 1 1 11 1363 1 1 6 HIS CG C -4.067 -1.397 -5.219 1.00 . A A . 6 HIS CG 1 1 11 1364 1 1 6 HIS H H -3.314 0.540 -3.329 1.00 . A A . 6 HIS H 1 1 11 1365 1 1 6 HIS HA H -4.773 1.974 -5.180 1.00 . A A . 6 HIS HA 1 1 11 1366 1 1 6 HIS HB2 H -4.530 0.046 -6.671 1.00 . A A . 6 HIS HB2 1 1 11 1367 1 1 6 HIS HB3 H -3.032 0.344 -5.779 1.00 . A A . 6 HIS HB3 1 1 11 1368 1 1 6 HIS HD1 H -2.271 -1.453 -4.117 1.00 . A A . 6 HIS HD1 1 1 11 1369 1 1 6 HIS HD2 H -5.873 -2.334 -5.991 1.00 . A A . 6 HIS HD2 1 1 11 1370 1 1 6 HIS HE1 H -2.733 -3.867 -3.585 1.00 . A A . 6 HIS HE1 1 1 11 1371 1 1 6 HIS HE2 H -4.963 -4.352 -4.653 1.00 . A A . 6 HIS HE2 1 1 11 1372 1 1 6 HIS N N -4.156 1.024 -3.457 1.00 . A A . 6 HIS N 1 1 11 1373 1 1 6 HIS ND1 N -3.065 -1.931 -4.435 1.00 . A A . 6 HIS ND1 1 1 11 1374 1 1 6 HIS NE2 N -4.483 -3.504 -4.760 1.00 . A A . 6 HIS NE2 1 1 11 1375 1 1 6 HIS O O -7.084 0.972 -5.478 1.00 . A A . 6 HIS O 1 1 12 1376 1 1 1 HIS C C 4.783 -1.715 3.719 1.00 . A A . 1 HIS C 1 1 12 1377 1 1 1 HIS CA C 6.294 -1.806 3.623 1.00 . A A . 1 HIS CA 1 1 12 1378 1 1 1 HIS CB C 6.712 -2.757 2.499 1.00 . A A . 1 HIS CB 1 1 12 1379 1 1 1 HIS CD2 C 6.620 -1.988 0.023 1.00 . A A . 1 HIS CD2 1 1 12 1380 1 1 1 HIS CE1 C 8.462 -0.799 -0.011 1.00 . A A . 1 HIS CE1 1 1 12 1381 1 1 1 HIS CG C 7.169 -2.052 1.260 1.00 . A A . 1 HIS CG 1 1 12 1382 1 1 1 HIS H1 H 7.873 -2.556 4.709 1.00 . A A . 1 HIS H1 1 1 12 1383 1 1 1 HIS H2 H 6.328 -3.103 5.220 1.00 . A A . 1 HIS H2 1 1 12 1384 1 1 1 HIS H3 H 6.839 -1.506 5.584 1.00 . A A . 1 HIS H3 1 1 12 1385 1 1 1 HIS HA H 6.673 -0.815 3.417 1.00 . A A . 1 HIS HA 1 1 12 1386 1 1 1 HIS HB2 H 7.524 -3.378 2.845 1.00 . A A . 1 HIS HB2 1 1 12 1387 1 1 1 HIS HB3 H 5.872 -3.384 2.236 1.00 . A A . 1 HIS HB3 1 1 12 1388 1 1 1 HIS HD1 H 8.945 -1.148 1.947 1.00 . A A . 1 HIS HD1 1 1 12 1389 1 1 1 HIS HD2 H 5.705 -2.465 -0.297 1.00 . A A . 1 HIS HD2 1 1 12 1390 1 1 1 HIS HE1 H 9.272 -0.169 -0.346 1.00 . A A . 1 HIS HE1 1 1 12 1391 1 1 1 HIS HE2 H 7.350 -1.058 -1.711 1.00 . A A . 1 HIS HE2 1 1 12 1392 1 1 1 HIS N N 6.887 -2.286 4.899 1.00 . A A . 1 HIS N 1 1 12 1393 1 1 1 HIS ND1 N 8.322 -1.297 1.205 1.00 . A A . 1 HIS ND1 1 1 12 1394 1 1 1 HIS NE2 N 7.444 -1.204 -0.747 1.00 . A A . 1 HIS NE2 1 1 12 1395 1 1 1 HIS O O 4.227 -1.621 4.814 1.00 . A A . 1 HIS O 1 1 12 1396 1 1 2 ARG C C 2.046 -2.271 1.366 1.00 . A A . 2 ARG C 1 1 12 1397 1 1 2 ARG CA C 2.673 -1.569 2.554 1.00 . A A . 2 ARG CA 1 1 12 1398 1 1 2 ARG CB C 2.288 -0.089 2.534 1.00 . A A . 2 ARG CB 1 1 12 1399 1 1 2 ARG CD C 3.385 2.111 2.009 1.00 . A A . 2 ARG CD 1 1 12 1400 1 1 2 ARG CG C 3.495 0.788 2.748 1.00 . A A . 2 ARG CG 1 1 12 1401 1 1 2 ARG CZ C 3.304 3.764 3.835 1.00 . A A . 2 ARG CZ 1 1 12 1402 1 1 2 ARG H H 4.609 -1.746 1.723 1.00 . A A . 2 ARG H 1 1 12 1403 1 1 2 ARG HA H 2.317 -1.990 3.456 1.00 . A A . 2 ARG HA 1 1 12 1404 1 1 2 ARG HB2 H 1.836 0.159 1.570 1.00 . A A . 2 ARG HB2 1 1 12 1405 1 1 2 ARG HB3 H 1.578 0.105 3.323 1.00 . A A . 2 ARG HB3 1 1 12 1406 1 1 2 ARG HD2 H 4.378 2.452 1.757 1.00 . A A . 2 ARG HD2 1 1 12 1407 1 1 2 ARG HD3 H 2.817 1.957 1.103 1.00 . A A . 2 ARG HD3 1 1 12 1408 1 1 2 ARG HE H 1.799 3.364 2.586 1.00 . A A . 2 ARG HE 1 1 12 1409 1 1 2 ARG HG2 H 3.627 0.971 3.804 1.00 . A A . 2 ARG HG2 1 1 12 1410 1 1 2 ARG HG3 H 4.339 0.244 2.383 1.00 . A A . 2 ARG HG3 1 1 12 1411 1 1 2 ARG HH11 H 5.069 2.790 3.664 1.00 . A A . 2 ARG HH11 1 1 12 1412 1 1 2 ARG HH12 H 4.986 3.957 4.940 1.00 . A A . 2 ARG HH12 1 1 12 1413 1 1 2 ARG HH21 H 1.688 4.897 4.265 1.00 . A A . 2 ARG HH21 1 1 12 1414 1 1 2 ARG HH22 H 3.066 5.153 5.283 1.00 . A A . 2 ARG HH22 1 1 12 1415 1 1 2 ARG N N 4.118 -1.700 2.569 1.00 . A A . 2 ARG N 1 1 12 1416 1 1 2 ARG NE N 2.724 3.134 2.815 1.00 . A A . 2 ARG NE 1 1 12 1417 1 1 2 ARG NH1 N 4.556 3.480 4.174 1.00 . A A . 2 ARG NH1 1 1 12 1418 1 1 2 ARG NH2 N 2.631 4.680 4.517 1.00 . A A . 2 ARG NH2 1 1 12 1419 1 1 2 ARG O O 2.667 -2.403 0.311 1.00 . A A . 2 ARG O 1 1 12 1420 1 1 3 PHE C C -0.602 -2.192 -0.393 1.00 . A A . 3 PHE C 1 1 12 1421 1 1 3 PHE CA C 0.061 -3.289 0.428 1.00 . A A . 3 PHE CA 1 1 12 1422 1 1 3 PHE CB C -0.980 -4.273 0.957 1.00 . A A . 3 PHE CB 1 1 12 1423 1 1 3 PHE CD1 C -1.720 -6.651 0.755 1.00 . A A . 3 PHE CD1 1 1 12 1424 1 1 3 PHE CD2 C -0.475 -5.722 -1.052 1.00 . A A . 3 PHE CD2 1 1 12 1425 1 1 3 PHE CE1 C -1.806 -7.855 0.081 1.00 . A A . 3 PHE CE1 1 1 12 1426 1 1 3 PHE CE2 C -0.558 -6.923 -1.731 1.00 . A A . 3 PHE CE2 1 1 12 1427 1 1 3 PHE CG C -1.056 -5.573 0.201 1.00 . A A . 3 PHE CG 1 1 12 1428 1 1 3 PHE CZ C -1.224 -7.991 -1.164 1.00 . A A . 3 PHE CZ 1 1 12 1429 1 1 3 PHE H H 0.331 -2.493 2.368 1.00 . A A . 3 PHE H 1 1 12 1430 1 1 3 PHE HA H 0.766 -3.807 -0.188 1.00 . A A . 3 PHE HA 1 1 12 1431 1 1 3 PHE HB2 H -0.750 -4.507 1.990 1.00 . A A . 3 PHE HB2 1 1 12 1432 1 1 3 PHE HB3 H -1.950 -3.808 0.905 1.00 . A A . 3 PHE HB3 1 1 12 1433 1 1 3 PHE HD1 H -2.176 -6.542 1.726 1.00 . A A . 3 PHE HD1 1 1 12 1434 1 1 3 PHE HD2 H 0.045 -4.888 -1.499 1.00 . A A . 3 PHE HD2 1 1 12 1435 1 1 3 PHE HE1 H -2.329 -8.688 0.528 1.00 . A A . 3 PHE HE1 1 1 12 1436 1 1 3 PHE HE2 H -0.101 -7.026 -2.705 1.00 . A A . 3 PHE HE2 1 1 12 1437 1 1 3 PHE HZ H -1.290 -8.930 -1.692 1.00 . A A . 3 PHE HZ 1 1 12 1438 1 1 3 PHE N N 0.790 -2.666 1.519 1.00 . A A . 3 PHE N 1 1 12 1439 1 1 3 PHE O O -1.661 -2.383 -0.992 1.00 . A A . 3 PHE O 1 1 12 1440 1 1 4 LEU C C -1.872 0.459 -0.737 1.00 . A A . 4 LEU C 1 1 12 1441 1 1 4 LEU CA C -0.421 0.148 -1.092 1.00 . A A . 4 LEU CA 1 1 12 1442 1 1 4 LEU CB C -0.270 -0.031 -2.604 1.00 . A A . 4 LEU CB 1 1 12 1443 1 1 4 LEU CD1 C 2.012 -0.781 -3.324 1.00 . A A . 4 LEU CD1 1 1 12 1444 1 1 4 LEU CD2 C 0.888 1.109 -4.516 1.00 . A A . 4 LEU CD2 1 1 12 1445 1 1 4 LEU CG C 1.079 0.411 -3.177 1.00 . A A . 4 LEU CG 1 1 12 1446 1 1 4 LEU H H 0.876 -0.962 0.118 1.00 . A A . 4 LEU H 1 1 12 1447 1 1 4 LEU HA H 0.203 0.972 -0.767 1.00 . A A . 4 LEU HA 1 1 12 1448 1 1 4 LEU HB2 H -0.412 -1.076 -2.837 1.00 . A A . 4 LEU HB2 1 1 12 1449 1 1 4 LEU HB3 H -1.047 0.538 -3.092 1.00 . A A . 4 LEU HB3 1 1 12 1450 1 1 4 LEU HD11 H 3.035 -0.455 -3.200 1.00 . A A . 4 LEU HD11 1 1 12 1451 1 1 4 LEU HD12 H 1.890 -1.215 -4.305 1.00 . A A . 4 LEU HD12 1 1 12 1452 1 1 4 LEU HD13 H 1.776 -1.518 -2.571 1.00 . A A . 4 LEU HD13 1 1 12 1453 1 1 4 LEU HD21 H -0.019 0.753 -4.981 1.00 . A A . 4 LEU HD21 1 1 12 1454 1 1 4 LEU HD22 H 1.730 0.893 -5.157 1.00 . A A . 4 LEU HD22 1 1 12 1455 1 1 4 LEU HD23 H 0.819 2.175 -4.359 1.00 . A A . 4 LEU HD23 1 1 12 1456 1 1 4 LEU HG H 1.539 1.112 -2.495 1.00 . A A . 4 LEU HG 1 1 12 1457 1 1 4 LEU N N 0.048 -1.030 -0.388 1.00 . A A . 4 LEU N 1 1 12 1458 1 1 4 LEU O O -2.475 -0.213 0.100 1.00 . A A . 4 LEU O 1 1 12 1459 1 1 5 ARG C C -4.702 1.589 -2.328 1.00 . A A . 5 ARG C 1 1 12 1460 1 1 5 ARG CA C -3.807 1.885 -1.125 1.00 . A A . 5 ARG CA 1 1 12 1461 1 1 5 ARG CB C -3.868 3.373 -0.793 1.00 . A A . 5 ARG CB 1 1 12 1462 1 1 5 ARG CD C -1.752 4.442 -1.457 1.00 . A A . 5 ARG CD 1 1 12 1463 1 1 5 ARG CG C -3.188 4.235 -1.825 1.00 . A A . 5 ARG CG 1 1 12 1464 1 1 5 ARG CZ C 0.252 5.381 -2.541 1.00 . A A . 5 ARG CZ 1 1 12 1465 1 1 5 ARG H H -1.896 1.982 -2.032 1.00 . A A . 5 ARG H 1 1 12 1466 1 1 5 ARG HA H -4.160 1.327 -0.277 1.00 . A A . 5 ARG HA 1 1 12 1467 1 1 5 ARG HB2 H -4.900 3.685 -0.726 1.00 . A A . 5 ARG HB2 1 1 12 1468 1 1 5 ARG HB3 H -3.376 3.537 0.163 1.00 . A A . 5 ARG HB3 1 1 12 1469 1 1 5 ARG HD2 H -1.716 5.246 -0.757 1.00 . A A . 5 ARG HD2 1 1 12 1470 1 1 5 ARG HD3 H -1.382 3.538 -0.992 1.00 . A A . 5 ARG HD3 1 1 12 1471 1 1 5 ARG HE H -1.266 4.505 -3.501 1.00 . A A . 5 ARG HE 1 1 12 1472 1 1 5 ARG HG2 H -3.233 3.751 -2.780 1.00 . A A . 5 ARG HG2 1 1 12 1473 1 1 5 ARG HG3 H -3.684 5.193 -1.873 1.00 . A A . 5 ARG HG3 1 1 12 1474 1 1 5 ARG HH11 H 0.235 5.549 -0.526 1.00 . A A . 5 ARG HH11 1 1 12 1475 1 1 5 ARG HH12 H 1.631 6.204 -1.313 1.00 . A A . 5 ARG HH12 1 1 12 1476 1 1 5 ARG HH21 H 0.573 5.366 -4.537 1.00 . A A . 5 ARG HH21 1 1 12 1477 1 1 5 ARG HH22 H 1.823 6.100 -3.590 1.00 . A A . 5 ARG HH22 1 1 12 1478 1 1 5 ARG N N -2.427 1.483 -1.376 1.00 . A A . 5 ARG N 1 1 12 1479 1 1 5 ARG NE N -0.925 4.764 -2.617 1.00 . A A . 5 ARG NE 1 1 12 1480 1 1 5 ARG NH1 N 0.746 5.741 -1.363 1.00 . A A . 5 ARG NH1 1 1 12 1481 1 1 5 ARG NH2 N 0.939 5.637 -3.647 1.00 . A A . 5 ARG NH2 1 1 12 1482 1 1 5 ARG O O -5.908 1.830 -2.287 1.00 . A A . 5 ARG O 1 1 12 1483 1 1 6 HIS C C -6.134 -0.008 -4.300 1.00 . A A . 6 HIS C 1 1 12 1484 1 1 6 HIS CA C -4.848 0.753 -4.618 1.00 . A A . 6 HIS CA 1 1 12 1485 1 1 6 HIS CB C -3.978 -0.074 -5.566 1.00 . A A . 6 HIS CB 1 1 12 1486 1 1 6 HIS CD2 C -3.248 -1.772 -3.746 1.00 . A A . 6 HIS CD2 1 1 12 1487 1 1 6 HIS CE1 C -3.128 -3.562 -5.008 1.00 . A A . 6 HIS CE1 1 1 12 1488 1 1 6 HIS CG C -3.583 -1.405 -5.006 1.00 . A A . 6 HIS CG 1 1 12 1489 1 1 6 HIS H H -3.140 0.907 -3.380 1.00 . A A . 6 HIS H 1 1 12 1490 1 1 6 HIS HA H -5.104 1.684 -5.101 1.00 . A A . 6 HIS HA 1 1 12 1491 1 1 6 HIS HB2 H -4.525 -0.250 -6.485 1.00 . A A . 6 HIS HB2 1 1 12 1492 1 1 6 HIS HB3 H -3.072 0.478 -5.786 1.00 . A A . 6 HIS HB3 1 1 12 1493 1 1 6 HIS HD1 H -3.682 -2.610 -6.732 1.00 . A A . 6 HIS HD1 1 1 12 1494 1 1 6 HIS HD2 H -3.208 -1.127 -2.880 1.00 . A A . 6 HIS HD2 1 1 12 1495 1 1 6 HIS HE1 H -2.980 -4.580 -5.336 1.00 . A A . 6 HIS HE1 1 1 12 1496 1 1 6 HIS HE2 H -2.610 -3.639 -3.028 1.00 . A A . 6 HIS HE2 1 1 12 1497 1 1 6 HIS N N -4.105 1.072 -3.402 1.00 . A A . 6 HIS N 1 1 12 1498 1 1 6 HIS ND1 N -3.498 -2.549 -5.772 1.00 . A A . 6 HIS ND1 1 1 12 1499 1 1 6 HIS NE2 N -2.970 -3.117 -3.775 1.00 . A A . 6 HIS NE2 1 1 12 1500 1 1 6 HIS O O -6.048 -1.057 -3.628 1.00 . A A . 6 HIS O 1 1 13 1501 1 1 1 HIS C C 4.844 -1.637 3.676 1.00 . A A . 1 HIS C 1 1 13 1502 1 1 1 HIS CA C 6.350 -1.617 3.495 1.00 . A A . 1 HIS CA 1 1 13 1503 1 1 1 HIS CB C 6.775 -2.525 2.337 1.00 . A A . 1 HIS CB 1 1 13 1504 1 1 1 HIS CD2 C 8.602 -1.376 0.898 1.00 . A A . 1 HIS CD2 1 1 13 1505 1 1 1 HIS CE1 C 7.335 -0.729 -0.770 1.00 . A A . 1 HIS CE1 1 1 13 1506 1 1 1 HIS CG C 7.337 -1.779 1.168 1.00 . A A . 1 HIS CG 1 1 13 1507 1 1 1 HIS H1 H 6.963 -3.097 4.786 1.00 . A A . 1 HIS H1 1 1 13 1508 1 1 1 HIS H2 H 6.582 -1.602 5.539 1.00 . A A . 1 HIS H2 1 1 13 1509 1 1 1 HIS H3 H 8.043 -1.772 4.654 1.00 . A A . 1 HIS H3 1 1 13 1510 1 1 1 HIS HA H 6.643 -0.599 3.280 1.00 . A A . 1 HIS HA 1 1 13 1511 1 1 1 HIS HB2 H 7.532 -3.211 2.687 1.00 . A A . 1 HIS HB2 1 1 13 1512 1 1 1 HIS HB3 H 5.918 -3.087 1.994 1.00 . A A . 1 HIS HB3 1 1 13 1513 1 1 1 HIS HD1 H 5.604 -1.498 0.003 1.00 . A A . 1 HIS HD1 1 1 13 1514 1 1 1 HIS HD2 H 9.472 -1.537 1.519 1.00 . A A . 1 HIS HD2 1 1 13 1515 1 1 1 HIS HE1 H 7.005 -0.290 -1.700 1.00 . A A . 1 HIS HE1 1 1 13 1516 1 1 1 HIS HE2 H 9.327 -0.254 -0.722 1.00 . A A . 1 HIS HE2 1 1 13 1517 1 1 1 HIS N N 7.047 -2.062 4.730 1.00 . A A . 1 HIS N 1 1 13 1518 1 1 1 HIS ND1 N 6.568 -1.357 0.103 1.00 . A A . 1 HIS ND1 1 1 13 1519 1 1 1 HIS NE2 N 8.573 -0.727 -0.311 1.00 . A A . 1 HIS NE2 1 1 13 1520 1 1 1 HIS O O 4.345 -1.587 4.800 1.00 . A A . 1 HIS O 1 1 13 1521 1 1 2 ARG C C 2.025 -2.388 1.480 1.00 . A A . 2 ARG C 1 1 13 1522 1 1 2 ARG CA C 2.666 -1.639 2.633 1.00 . A A . 2 ARG CA 1 1 13 1523 1 1 2 ARG CB C 2.176 -0.190 2.633 1.00 . A A . 2 ARG CB 1 1 13 1524 1 1 2 ARG CD C 3.076 2.095 2.105 1.00 . A A . 2 ARG CD 1 1 13 1525 1 1 2 ARG CG C 3.322 0.771 2.811 1.00 . A A . 2 ARG CG 1 1 13 1526 1 1 2 ARG CZ C 1.671 4.092 2.437 1.00 . A A . 2 ARG CZ 1 1 13 1527 1 1 2 ARG H H 4.559 -1.672 1.693 1.00 . A A . 2 ARG H 1 1 13 1528 1 1 2 ARG HA H 2.392 -2.080 3.553 1.00 . A A . 2 ARG HA 1 1 13 1529 1 1 2 ARG HB2 H 1.678 0.027 1.685 1.00 . A A . 2 ARG HB2 1 1 13 1530 1 1 2 ARG HB3 H 1.479 -0.050 3.445 1.00 . A A . 2 ARG HB3 1 1 13 1531 1 1 2 ARG HD2 H 3.952 2.715 2.214 1.00 . A A . 2 ARG HD2 1 1 13 1532 1 1 2 ARG HD3 H 2.901 1.901 1.056 1.00 . A A . 2 ARG HD3 1 1 13 1533 1 1 2 ARG HE H 1.302 2.291 3.215 1.00 . A A . 2 ARG HE 1 1 13 1534 1 1 2 ARG HG2 H 3.490 0.945 3.863 1.00 . A A . 2 ARG HG2 1 1 13 1535 1 1 2 ARG HG3 H 4.187 0.300 2.396 1.00 . A A . 2 ARG HG3 1 1 13 1536 1 1 2 ARG HH11 H 3.298 4.395 1.275 1.00 . A A . 2 ARG HH11 1 1 13 1537 1 1 2 ARG HH12 H 2.294 5.784 1.523 1.00 . A A . 2 ARG HH12 1 1 13 1538 1 1 2 ARG HH21 H -0.021 4.117 3.542 1.00 . A A . 2 ARG HH21 1 1 13 1539 1 1 2 ARG HH22 H 0.410 5.626 2.810 1.00 . A A . 2 ARG HH22 1 1 13 1540 1 1 2 ARG N N 4.115 -1.666 2.566 1.00 . A A . 2 ARG N 1 1 13 1541 1 1 2 ARG NE N 1.922 2.803 2.655 1.00 . A A . 2 ARG NE 1 1 13 1542 1 1 2 ARG NH1 N 2.488 4.816 1.683 1.00 . A A . 2 ARG NH1 1 1 13 1543 1 1 2 ARG NH2 N 0.598 4.658 2.973 1.00 . A A . 2 ARG NH2 1 1 13 1544 1 1 2 ARG O O 2.645 -2.592 0.436 1.00 . A A . 2 ARG O 1 1 13 1545 1 1 3 PHE C C -0.653 -2.332 -0.261 1.00 . A A . 3 PHE C 1 1 13 1546 1 1 3 PHE CA C 0.012 -3.402 0.595 1.00 . A A . 3 PHE CA 1 1 13 1547 1 1 3 PHE CB C -1.030 -4.356 1.178 1.00 . A A . 3 PHE CB 1 1 13 1548 1 1 3 PHE CD1 C -1.697 -6.762 1.208 1.00 . A A . 3 PHE CD1 1 1 13 1549 1 1 3 PHE CD2 C -0.422 -5.993 -0.653 1.00 . A A . 3 PHE CD2 1 1 13 1550 1 1 3 PHE CE1 C -1.730 -8.032 0.665 1.00 . A A . 3 PHE CE1 1 1 13 1551 1 1 3 PHE CE2 C -0.451 -7.261 -1.201 1.00 . A A . 3 PHE CE2 1 1 13 1552 1 1 3 PHE CG C -1.045 -5.730 0.560 1.00 . A A . 3 PHE CG 1 1 13 1553 1 1 3 PHE CZ C -1.106 -8.283 -0.541 1.00 . A A . 3 PHE CZ 1 1 13 1554 1 1 3 PHE H H 0.303 -2.509 2.488 1.00 . A A . 3 PHE H 1 1 13 1555 1 1 3 PHE HA H 0.706 -3.948 -0.009 1.00 . A A . 3 PHE HA 1 1 13 1556 1 1 3 PHE HB2 H -0.841 -4.477 2.237 1.00 . A A . 3 PHE HB2 1 1 13 1557 1 1 3 PHE HB3 H -2.008 -3.926 1.038 1.00 . A A . 3 PHE HB3 1 1 13 1558 1 1 3 PHE HD1 H -2.186 -6.563 2.149 1.00 . A A . 3 PHE HD1 1 1 13 1559 1 1 3 PHE HD2 H 0.088 -5.196 -1.173 1.00 . A A . 3 PHE HD2 1 1 13 1560 1 1 3 PHE HE1 H -2.243 -8.829 1.184 1.00 . A A . 3 PHE HE1 1 1 13 1561 1 1 3 PHE HE2 H 0.038 -7.454 -2.145 1.00 . A A . 3 PHE HE2 1 1 13 1562 1 1 3 PHE HZ H -1.130 -9.275 -0.967 1.00 . A A . 3 PHE HZ 1 1 13 1563 1 1 3 PHE N N 0.758 -2.741 1.651 1.00 . A A . 3 PHE N 1 1 13 1564 1 1 3 PHE O O -1.710 -2.545 -0.856 1.00 . A A . 3 PHE O 1 1 13 1565 1 1 4 LEU C C -1.936 0.293 -0.714 1.00 . A A . 4 LEU C 1 1 13 1566 1 1 4 LEU CA C -0.474 -0.013 -1.029 1.00 . A A . 4 LEU CA 1 1 13 1567 1 1 4 LEU CB C -0.289 -0.224 -2.533 1.00 . A A . 4 LEU CB 1 1 13 1568 1 1 4 LEU CD1 C 1.346 -2.123 -2.608 1.00 . A A . 4 LEU CD1 1 1 13 1569 1 1 4 LEU CD2 C 1.313 -0.429 -4.448 1.00 . A A . 4 LEU CD2 1 1 13 1570 1 1 4 LEU CG C 1.113 -0.661 -2.958 1.00 . A A . 4 LEU CG 1 1 13 1571 1 1 4 LEU H H 0.821 -1.087 0.218 1.00 . A A . 4 LEU H 1 1 13 1572 1 1 4 LEU HA H 0.135 0.825 -0.711 1.00 . A A . 4 LEU HA 1 1 13 1573 1 1 4 LEU HB2 H -0.993 -0.977 -2.858 1.00 . A A . 4 LEU HB2 1 1 13 1574 1 1 4 LEU HB3 H -0.521 0.702 -3.036 1.00 . A A . 4 LEU HB3 1 1 13 1575 1 1 4 LEU HD11 H 0.427 -2.674 -2.737 1.00 . A A . 4 LEU HD11 1 1 13 1576 1 1 4 LEU HD12 H 1.671 -2.200 -1.581 1.00 . A A . 4 LEU HD12 1 1 13 1577 1 1 4 LEU HD13 H 2.105 -2.532 -3.258 1.00 . A A . 4 LEU HD13 1 1 13 1578 1 1 4 LEU HD21 H 0.631 0.335 -4.788 1.00 . A A . 4 LEU HD21 1 1 13 1579 1 1 4 LEU HD22 H 1.122 -1.347 -4.984 1.00 . A A . 4 LEU HD22 1 1 13 1580 1 1 4 LEU HD23 H 2.329 -0.111 -4.630 1.00 . A A . 4 LEU HD23 1 1 13 1581 1 1 4 LEU HG H 1.845 -0.070 -2.426 1.00 . A A . 4 LEU HG 1 1 13 1582 1 1 4 LEU N N -0.006 -1.170 -0.289 1.00 . A A . 4 LEU N 1 1 13 1583 1 1 4 LEU O O -2.573 -0.408 0.072 1.00 . A A . 4 LEU O 1 1 13 1584 1 1 5 ARG C C -4.632 1.718 -2.426 1.00 . A A . 5 ARG C 1 1 13 1585 1 1 5 ARG CA C -3.845 1.749 -1.119 1.00 . A A . 5 ARG CA 1 1 13 1586 1 1 5 ARG CB C -3.898 3.152 -0.521 1.00 . A A . 5 ARG CB 1 1 13 1587 1 1 5 ARG CD C -1.742 4.262 -0.932 1.00 . A A . 5 ARG CD 1 1 13 1588 1 1 5 ARG CG C -3.173 4.174 -1.357 1.00 . A A . 5 ARG CG 1 1 13 1589 1 1 5 ARG CZ C 0.305 5.340 -1.781 1.00 . A A . 5 ARG CZ 1 1 13 1590 1 1 5 ARG H H -1.900 1.867 -1.946 1.00 . A A . 5 ARG H 1 1 13 1591 1 1 5 ARG HA H -4.283 1.058 -0.423 1.00 . A A . 5 ARG HA 1 1 13 1592 1 1 5 ARG HB2 H -4.927 3.465 -0.430 1.00 . A A . 5 ARG HB2 1 1 13 1593 1 1 5 ARG HB3 H -3.436 3.130 0.463 1.00 . A A . 5 ARG HB3 1 1 13 1594 1 1 5 ARG HD2 H -1.701 4.917 -0.091 1.00 . A A . 5 ARG HD2 1 1 13 1595 1 1 5 ARG HD3 H -1.410 3.275 -0.641 1.00 . A A . 5 ARG HD3 1 1 13 1596 1 1 5 ARG HE H -1.200 4.682 -2.918 1.00 . A A . 5 ARG HE 1 1 13 1597 1 1 5 ARG HG2 H -3.210 3.884 -2.388 1.00 . A A . 5 ARG HG2 1 1 13 1598 1 1 5 ARG HG3 H -3.642 5.138 -1.228 1.00 . A A . 5 ARG HG3 1 1 13 1599 1 1 5 ARG HH11 H 0.237 5.145 0.231 1.00 . A A . 5 ARG HH11 1 1 13 1600 1 1 5 ARG HH12 H 1.664 5.901 -0.394 1.00 . A A . 5 ARG HH12 1 1 13 1601 1 1 5 ARG HH21 H 0.677 5.676 -3.739 1.00 . A A . 5 ARG HH21 1 1 13 1602 1 1 5 ARG HH22 H 1.914 6.203 -2.647 1.00 . A A . 5 ARG HH22 1 1 13 1603 1 1 5 ARG N N -2.459 1.347 -1.332 1.00 . A A . 5 ARG N 1 1 13 1604 1 1 5 ARG NE N -0.879 4.770 -1.994 1.00 . A A . 5 ARG NE 1 1 13 1605 1 1 5 ARG NH1 N 0.773 5.473 -0.546 1.00 . A A . 5 ARG NH1 1 1 13 1606 1 1 5 ARG NH2 N 1.024 5.775 -2.807 1.00 . A A . 5 ARG NH2 1 1 13 1607 1 1 5 ARG O O -5.703 2.316 -2.528 1.00 . A A . 5 ARG O 1 1 13 1608 1 1 6 HIS C C -6.194 0.467 -4.585 1.00 . A A . 6 HIS C 1 1 13 1609 1 1 6 HIS CA C -4.745 0.925 -4.727 1.00 . A A . 6 HIS CA 1 1 13 1610 1 1 6 HIS CB C -3.979 -0.043 -5.630 1.00 . A A . 6 HIS CB 1 1 13 1611 1 1 6 HIS CD2 C -4.330 -1.973 -3.932 1.00 . A A . 6 HIS CD2 1 1 13 1612 1 1 6 HIS CE1 C -2.883 -3.396 -4.761 1.00 . A A . 6 HIS CE1 1 1 13 1613 1 1 6 HIS CG C -3.759 -1.389 -5.012 1.00 . A A . 6 HIS CG 1 1 13 1614 1 1 6 HIS H H -3.236 0.572 -3.288 1.00 . A A . 6 HIS H 1 1 13 1615 1 1 6 HIS HA H -4.731 1.908 -5.176 1.00 . A A . 6 HIS HA 1 1 13 1616 1 1 6 HIS HB2 H -4.536 -0.186 -6.548 1.00 . A A . 6 HIS HB2 1 1 13 1617 1 1 6 HIS HB3 H -3.008 0.382 -5.859 1.00 . A A . 6 HIS HB3 1 1 13 1618 1 1 6 HIS HD1 H -2.282 -2.178 -6.292 1.00 . A A . 6 HIS HD1 1 1 13 1619 1 1 6 HIS HD2 H -5.087 -1.539 -3.294 1.00 . A A . 6 HIS HD2 1 1 13 1620 1 1 6 HIS HE1 H -2.282 -4.280 -4.911 1.00 . A A . 6 HIS HE1 1 1 13 1621 1 1 6 HIS HE2 H -3.930 -3.839 -3.058 1.00 . A A . 6 HIS HE2 1 1 13 1622 1 1 6 HIS N N -4.094 1.024 -3.426 1.00 . A A . 6 HIS N 1 1 13 1623 1 1 6 HIS ND1 N -2.856 -2.306 -5.508 1.00 . A A . 6 HIS ND1 1 1 13 1624 1 1 6 HIS NE2 N -3.768 -3.218 -3.798 1.00 . A A . 6 HIS NE2 1 1 13 1625 1 1 6 HIS O O -6.593 0.108 -3.457 1.00 . A A . 6 HIS O 1 1 14 1626 1 1 1 HIS C C 4.903 -1.575 3.671 1.00 . A A . 1 HIS C 1 1 14 1627 1 1 1 HIS CA C 6.410 -1.674 3.520 1.00 . A A . 1 HIS CA 1 1 14 1628 1 1 1 HIS CB C 6.785 -2.735 2.482 1.00 . A A . 1 HIS CB 1 1 14 1629 1 1 1 HIS CD2 C 7.244 -2.596 -0.067 1.00 . A A . 1 HIS CD2 1 1 14 1630 1 1 1 HIS CE1 C 8.417 -0.744 -0.081 1.00 . A A . 1 HIS CE1 1 1 14 1631 1 1 1 HIS CG C 7.333 -2.162 1.212 1.00 . A A . 1 HIS CG 1 1 14 1632 1 1 1 HIS H1 H 7.015 -1.183 5.424 1.00 . A A . 1 HIS H1 1 1 14 1633 1 1 1 HIS H2 H 8.046 -2.285 4.608 1.00 . A A . 1 HIS H2 1 1 14 1634 1 1 1 HIS H3 H 6.535 -2.816 5.226 1.00 . A A . 1 HIS H3 1 1 14 1635 1 1 1 HIS HA H 6.776 -0.709 3.196 1.00 . A A . 1 HIS HA 1 1 14 1636 1 1 1 HIS HB2 H 7.536 -3.388 2.901 1.00 . A A . 1 HIS HB2 1 1 14 1637 1 1 1 HIS HB3 H 5.908 -3.315 2.235 1.00 . A A . 1 HIS HB3 1 1 14 1638 1 1 1 HIS HD1 H 8.313 -0.444 1.941 1.00 . A A . 1 HIS HD1 1 1 14 1639 1 1 1 HIS HD2 H 6.731 -3.485 -0.408 1.00 . A A . 1 HIS HD2 1 1 14 1640 1 1 1 HIS HE1 H 9.000 0.101 -0.416 1.00 . A A . 1 HIS HE1 1 1 14 1641 1 1 1 HIS HE2 H 8.105 -1.799 -1.808 1.00 . A A . 1 HIS HE2 1 1 14 1642 1 1 1 HIS N N 7.060 -2.021 4.811 1.00 . A A . 1 HIS N 1 1 14 1643 1 1 1 HIS ND1 N 8.074 -1.000 1.169 1.00 . A A . 1 HIS ND1 1 1 14 1644 1 1 1 HIS NE2 N 7.926 -1.698 -0.850 1.00 . A A . 1 HIS NE2 1 1 14 1645 1 1 1 HIS O O 4.396 -1.360 4.772 1.00 . A A . 1 HIS O 1 1 14 1646 1 1 2 ARG C C 2.073 -2.376 1.497 1.00 . A A . 2 ARG C 1 1 14 1647 1 1 2 ARG CA C 2.742 -1.568 2.593 1.00 . A A . 2 ARG CA 1 1 14 1648 1 1 2 ARG CB C 2.341 -0.098 2.459 1.00 . A A . 2 ARG CB 1 1 14 1649 1 1 2 ARG CD C 3.378 2.016 1.588 1.00 . A A . 2 ARG CD 1 1 14 1650 1 1 2 ARG CG C 3.550 0.800 2.482 1.00 . A A . 2 ARG CG 1 1 14 1651 1 1 2 ARG CZ C 5.366 1.845 0.142 1.00 . A A . 2 ARG CZ 1 1 14 1652 1 1 2 ARG H H 4.641 -1.834 1.701 1.00 . A A . 2 ARG H 1 1 14 1653 1 1 2 ARG HA H 2.427 -1.911 3.541 1.00 . A A . 2 ARG HA 1 1 14 1654 1 1 2 ARG HB2 H 1.808 0.053 1.517 1.00 . A A . 2 ARG HB2 1 1 14 1655 1 1 2 ARG HB3 H 1.697 0.172 3.282 1.00 . A A . 2 ARG HB3 1 1 14 1656 1 1 2 ARG HD2 H 2.323 2.175 1.418 1.00 . A A . 2 ARG HD2 1 1 14 1657 1 1 2 ARG HD3 H 3.795 2.877 2.089 1.00 . A A . 2 ARG HD3 1 1 14 1658 1 1 2 ARG HE H 3.478 1.731 -0.492 1.00 . A A . 2 ARG HE 1 1 14 1659 1 1 2 ARG HG2 H 3.747 1.116 3.495 1.00 . A A . 2 ARG HG2 1 1 14 1660 1 1 2 ARG HG3 H 4.374 0.214 2.135 1.00 . A A . 2 ARG HG3 1 1 14 1661 1 1 2 ARG HH11 H 5.778 2.119 2.104 1.00 . A A . 2 ARG HH11 1 1 14 1662 1 1 2 ARG HH12 H 7.158 1.996 1.066 1.00 . A A . 2 ARG HH12 1 1 14 1663 1 1 2 ARG HH21 H 5.292 1.569 -1.858 1.00 . A A . 2 ARG HH21 1 1 14 1664 1 1 2 ARG HH22 H 6.883 1.684 -1.184 1.00 . A A . 2 ARG HH22 1 1 14 1665 1 1 2 ARG N N 4.188 -1.692 2.558 1.00 . A A . 2 ARG N 1 1 14 1666 1 1 2 ARG NE N 4.045 1.848 0.299 1.00 . A A . 2 ARG NE 1 1 14 1667 1 1 2 ARG NH1 N 6.166 1.999 1.190 1.00 . A A . 2 ARG NH1 1 1 14 1668 1 1 2 ARG NH2 N 5.890 1.686 -1.066 1.00 . A A . 2 ARG NH2 1 1 14 1669 1 1 2 ARG O O 2.670 -2.643 0.455 1.00 . A A . 2 ARG O 1 1 14 1670 1 1 3 PHE C C -0.659 -2.399 -0.177 1.00 . A A . 3 PHE C 1 1 14 1671 1 1 3 PHE CA C 0.038 -3.423 0.709 1.00 . A A . 3 PHE CA 1 1 14 1672 1 1 3 PHE CB C -0.980 -4.356 1.365 1.00 . A A . 3 PHE CB 1 1 14 1673 1 1 3 PHE CD1 C -1.610 -6.765 1.539 1.00 . A A . 3 PHE CD1 1 1 14 1674 1 1 3 PHE CD2 C -0.397 -6.079 -0.393 1.00 . A A . 3 PHE CD2 1 1 14 1675 1 1 3 PHE CE1 C -1.639 -8.063 1.065 1.00 . A A . 3 PHE CE1 1 1 14 1676 1 1 3 PHE CE2 C -0.422 -7.375 -0.873 1.00 . A A . 3 PHE CE2 1 1 14 1677 1 1 3 PHE CG C -0.992 -5.761 0.821 1.00 . A A . 3 PHE CG 1 1 14 1678 1 1 3 PHE CZ C -1.044 -8.369 -0.142 1.00 . A A . 3 PHE CZ 1 1 14 1679 1 1 3 PHE H H 0.371 -2.428 2.544 1.00 . A A . 3 PHE H 1 1 14 1680 1 1 3 PHE HA H 0.719 -3.992 0.113 1.00 . A A . 3 PHE HA 1 1 14 1681 1 1 3 PHE HB2 H -0.767 -4.418 2.425 1.00 . A A . 3 PHE HB2 1 1 14 1682 1 1 3 PHE HB3 H -1.967 -3.945 1.225 1.00 . A A . 3 PHE HB3 1 1 14 1683 1 1 3 PHE HD1 H -2.077 -6.524 2.481 1.00 . A A . 3 PHE HD1 1 1 14 1684 1 1 3 PHE HD2 H 0.088 -5.305 -0.967 1.00 . A A . 3 PHE HD2 1 1 14 1685 1 1 3 PHE HE1 H -2.127 -8.838 1.639 1.00 . A A . 3 PHE HE1 1 1 14 1686 1 1 3 PHE HE2 H 0.045 -7.611 -1.818 1.00 . A A . 3 PHE HE2 1 1 14 1687 1 1 3 PHE HZ H -1.064 -9.382 -0.515 1.00 . A A . 3 PHE HZ 1 1 14 1688 1 1 3 PHE N N 0.807 -2.709 1.712 1.00 . A A . 3 PHE N 1 1 14 1689 1 1 3 PHE O O -1.729 -2.647 -0.734 1.00 . A A . 3 PHE O 1 1 14 1690 1 1 4 LEU C C -1.972 0.197 -0.718 1.00 . A A . 4 LEU C 1 1 14 1691 1 1 4 LEU CA C -0.517 -0.118 -1.059 1.00 . A A . 4 LEU CA 1 1 14 1692 1 1 4 LEU CB C -0.374 -0.401 -2.556 1.00 . A A . 4 LEU CB 1 1 14 1693 1 1 4 LEU CD1 C 1.783 -1.585 -3.033 1.00 . A A . 4 LEU CD1 1 1 14 1694 1 1 4 LEU CD2 C 1.009 0.254 -4.542 1.00 . A A . 4 LEU CD2 1 1 14 1695 1 1 4 LEU CG C 1.045 -0.258 -3.109 1.00 . A A . 4 LEU CG 1 1 14 1696 1 1 4 LEU H H 0.819 -1.123 0.201 1.00 . A A . 4 LEU H 1 1 14 1697 1 1 4 LEU HA H 0.095 0.737 -0.800 1.00 . A A . 4 LEU HA 1 1 14 1698 1 1 4 LEU HB2 H -0.712 -1.410 -2.744 1.00 . A A . 4 LEU HB2 1 1 14 1699 1 1 4 LEU HB3 H -1.016 0.281 -3.093 1.00 . A A . 4 LEU HB3 1 1 14 1700 1 1 4 LEU HD11 H 2.578 -1.598 -3.764 1.00 . A A . 4 LEU HD11 1 1 14 1701 1 1 4 LEU HD12 H 1.095 -2.392 -3.235 1.00 . A A . 4 LEU HD12 1 1 14 1702 1 1 4 LEU HD13 H 2.202 -1.708 -2.045 1.00 . A A . 4 LEU HD13 1 1 14 1703 1 1 4 LEU HD21 H 0.280 1.045 -4.623 1.00 . A A . 4 LEU HD21 1 1 14 1704 1 1 4 LEU HD22 H 0.740 -0.554 -5.206 1.00 . A A . 4 LEU HD22 1 1 14 1705 1 1 4 LEU HD23 H 1.984 0.633 -4.813 1.00 . A A . 4 LEU HD23 1 1 14 1706 1 1 4 LEU HG H 1.587 0.460 -2.510 1.00 . A A . 4 LEU HG 1 1 14 1707 1 1 4 LEU N N -0.021 -1.235 -0.278 1.00 . A A . 4 LEU N 1 1 14 1708 1 1 4 LEU O O -2.584 -0.473 0.114 1.00 . A A . 4 LEU O 1 1 14 1709 1 1 5 ARG C C -4.677 1.720 -2.439 1.00 . A A . 5 ARG C 1 1 14 1710 1 1 5 ARG CA C -3.899 1.629 -1.129 1.00 . A A . 5 ARG CA 1 1 14 1711 1 1 5 ARG CB C -3.936 2.977 -0.415 1.00 . A A . 5 ARG CB 1 1 14 1712 1 1 5 ARG CD C -1.767 4.088 -0.750 1.00 . A A . 5 ARG CD 1 1 14 1713 1 1 5 ARG CG C -3.204 4.060 -1.165 1.00 . A A . 5 ARG CG 1 1 14 1714 1 1 5 ARG CZ C 0.273 5.253 -1.497 1.00 . A A . 5 ARG CZ 1 1 14 1715 1 1 5 ARG H H -1.978 1.719 -2.014 1.00 . A A . 5 ARG H 1 1 14 1716 1 1 5 ARG HA H -4.354 0.889 -0.497 1.00 . A A . 5 ARG HA 1 1 14 1717 1 1 5 ARG HB2 H -4.961 3.292 -0.293 1.00 . A A . 5 ARG HB2 1 1 14 1718 1 1 5 ARG HB3 H -3.471 2.868 0.561 1.00 . A A . 5 ARG HB3 1 1 14 1719 1 1 5 ARG HD2 H -1.710 4.644 0.158 1.00 . A A . 5 ARG HD2 1 1 14 1720 1 1 5 ARG HD3 H -1.440 3.072 -0.576 1.00 . A A . 5 ARG HD3 1 1 14 1721 1 1 5 ARG HE H -1.238 4.713 -2.685 1.00 . A A . 5 ARG HE 1 1 14 1722 1 1 5 ARG HG2 H -3.256 3.863 -2.217 1.00 . A A . 5 ARG HG2 1 1 14 1723 1 1 5 ARG HG3 H -3.655 5.015 -0.944 1.00 . A A . 5 ARG HG3 1 1 14 1724 1 1 5 ARG HH11 H 0.220 4.853 0.485 1.00 . A A . 5 ARG HH11 1 1 14 1725 1 1 5 ARG HH12 H 1.640 5.673 -0.069 1.00 . A A . 5 ARG HH12 1 1 14 1726 1 1 5 ARG HH21 H 0.631 5.790 -3.412 1.00 . A A . 5 ARG HH21 1 1 14 1727 1 1 5 ARG HH22 H 1.874 6.206 -2.280 1.00 . A A . 5 ARG HH22 1 1 14 1728 1 1 5 ARG N N -2.518 1.223 -1.364 1.00 . A A . 5 ARG N 1 1 14 1729 1 1 5 ARG NE N -0.912 4.706 -1.760 1.00 . A A . 5 ARG NE 1 1 14 1730 1 1 5 ARG NH1 N 0.750 5.260 -0.258 1.00 . A A . 5 ARG NH1 1 1 14 1731 1 1 5 ARG NH2 N 0.984 5.794 -2.477 1.00 . A A . 5 ARG NH2 1 1 14 1732 1 1 5 ARG O O -5.735 2.347 -2.499 1.00 . A A . 5 ARG O 1 1 14 1733 1 1 6 HIS C C -6.242 0.659 -4.702 1.00 . A A . 6 HIS C 1 1 14 1734 1 1 6 HIS CA C -4.790 1.119 -4.797 1.00 . A A . 6 HIS CA 1 1 14 1735 1 1 6 HIS CB C -4.024 0.230 -5.778 1.00 . A A . 6 HIS CB 1 1 14 1736 1 1 6 HIS CD2 C -4.871 -2.174 -5.295 1.00 . A A . 6 HIS CD2 1 1 14 1737 1 1 6 HIS CE1 C -2.991 -3.035 -4.564 1.00 . A A . 6 HIS CE1 1 1 14 1738 1 1 6 HIS CG C -3.932 -1.199 -5.340 1.00 . A A . 6 HIS CG 1 1 14 1739 1 1 6 HIS H H -3.298 0.619 -3.383 1.00 . A A . 6 HIS H 1 1 14 1740 1 1 6 HIS HA H -4.769 2.137 -5.158 1.00 . A A . 6 HIS HA 1 1 14 1741 1 1 6 HIS HB2 H -4.525 0.251 -6.739 1.00 . A A . 6 HIS HB2 1 1 14 1742 1 1 6 HIS HB3 H -3.015 0.612 -5.888 1.00 . A A . 6 HIS HB3 1 1 14 1743 1 1 6 HIS HD1 H -1.902 -1.316 -4.786 1.00 . A A . 6 HIS HD1 1 1 14 1744 1 1 6 HIS HD2 H -5.907 -2.080 -5.587 1.00 . A A . 6 HIS HD2 1 1 14 1745 1 1 6 HIS HE1 H -2.261 -3.729 -4.175 1.00 . A A . 6 HIS HE1 1 1 14 1746 1 1 6 HIS HE2 H -4.672 -4.191 -4.746 1.00 . A A . 6 HIS HE2 1 1 14 1747 1 1 6 HIS N N -4.145 1.099 -3.489 1.00 . A A . 6 HIS N 1 1 14 1748 1 1 6 HIS ND1 N -2.766 -1.770 -4.875 1.00 . A A . 6 HIS ND1 1 1 14 1749 1 1 6 HIS NE2 N -4.260 -3.304 -4.809 1.00 . A A . 6 HIS NE2 1 1 14 1750 1 1 6 HIS O O -6.963 0.765 -5.716 1.00 . A A . 6 HIS O 1 1 15 1751 1 1 1 HIS C C 4.872 -1.683 3.694 1.00 . A A . 1 HIS C 1 1 15 1752 1 1 1 HIS CA C 6.379 -1.818 3.571 1.00 . A A . 1 HIS CA 1 1 15 1753 1 1 1 HIS CB C 6.747 -2.873 2.524 1.00 . A A . 1 HIS CB 1 1 15 1754 1 1 1 HIS CD2 C 7.513 -2.696 0.052 1.00 . A A . 1 HIS CD2 1 1 15 1755 1 1 1 HIS CE1 C 8.857 -0.976 0.256 1.00 . A A . 1 HIS CE1 1 1 15 1756 1 1 1 HIS CG C 7.493 -2.316 1.352 1.00 . A A . 1 HIS CG 1 1 15 1757 1 1 1 HIS H1 H 6.798 -3.211 5.026 1.00 . A A . 1 HIS H1 1 1 15 1758 1 1 1 HIS H2 H 6.555 -1.616 5.611 1.00 . A A . 1 HIS H2 1 1 15 1759 1 1 1 HIS H3 H 8.014 -2.024 4.803 1.00 . A A . 1 HIS H3 1 1 15 1760 1 1 1 HIS HA H 6.775 -0.859 3.272 1.00 . A A . 1 HIS HA 1 1 15 1761 1 1 1 HIS HB2 H 7.370 -3.625 2.985 1.00 . A A . 1 HIS HB2 1 1 15 1762 1 1 1 HIS HB3 H 5.845 -3.337 2.155 1.00 . A A . 1 HIS HB3 1 1 15 1763 1 1 1 HIS HD1 H 8.546 -0.734 2.264 1.00 . A A . 1 HIS HD1 1 1 15 1764 1 1 1 HIS HD2 H 6.959 -3.514 -0.384 1.00 . A A . 1 HIS HD2 1 1 15 1765 1 1 1 HIS HE1 H 9.556 -0.185 0.028 1.00 . A A . 1 HIS HE1 1 1 15 1766 1 1 1 HIS HE2 H 8.654 -1.939 -1.540 1.00 . A A . 1 HIS HE2 1 1 15 1767 1 1 1 HIS N N 6.992 -2.202 4.870 1.00 . A A . 1 HIS N 1 1 15 1768 1 1 1 HIS ND1 N 8.346 -1.236 1.446 1.00 . A A . 1 HIS ND1 1 1 15 1769 1 1 1 HIS NE2 N 8.368 -1.847 -0.607 1.00 . A A . 1 HIS NE2 1 1 15 1770 1 1 1 HIS O O 4.344 -1.513 4.793 1.00 . A A . 1 HIS O 1 1 15 1771 1 1 2 ARG C C 2.075 -2.288 1.419 1.00 . A A . 2 ARG C 1 1 15 1772 1 1 2 ARG CA C 2.740 -1.553 2.568 1.00 . A A . 2 ARG CA 1 1 15 1773 1 1 2 ARG CB C 2.386 -0.067 2.497 1.00 . A A . 2 ARG CB 1 1 15 1774 1 1 2 ARG CD C 3.510 2.068 1.790 1.00 . A A . 2 ARG CD 1 1 15 1775 1 1 2 ARG CG C 3.619 0.791 2.608 1.00 . A A . 2 ARG CG 1 1 15 1776 1 1 2 ARG CZ C 5.726 2.151 0.714 1.00 . A A . 2 ARG CZ 1 1 15 1777 1 1 2 ARG H H 4.653 -1.826 1.708 1.00 . A A . 2 ARG H 1 1 15 1778 1 1 2 ARG HA H 2.393 -1.932 3.490 1.00 . A A . 2 ARG HA 1 1 15 1779 1 1 2 ARG HB2 H 1.888 0.147 1.548 1.00 . A A . 2 ARG HB2 1 1 15 1780 1 1 2 ARG HB3 H 1.722 0.179 3.312 1.00 . A A . 2 ARG HB3 1 1 15 1781 1 1 2 ARG HD2 H 2.492 2.176 1.448 1.00 . A A . 2 ARG HD2 1 1 15 1782 1 1 2 ARG HD3 H 3.768 2.907 2.421 1.00 . A A . 2 ARG HD3 1 1 15 1783 1 1 2 ARG HE H 3.990 1.973 -0.254 1.00 . A A . 2 ARG HE 1 1 15 1784 1 1 2 ARG HG2 H 3.798 1.036 3.644 1.00 . A A . 2 ARG HG2 1 1 15 1785 1 1 2 ARG HG3 H 4.435 0.203 2.245 1.00 . A A . 2 ARG HG3 1 1 15 1786 1 1 2 ARG HH11 H 5.769 2.277 2.732 1.00 . A A . 2 ARG HH11 1 1 15 1787 1 1 2 ARG HH12 H 7.314 2.335 1.951 1.00 . A A . 2 ARG HH12 1 1 15 1788 1 1 2 ARG HH21 H 6.020 2.050 -1.283 1.00 . A A . 2 ARG HH21 1 1 15 1789 1 1 2 ARG HH22 H 7.457 2.207 -0.328 1.00 . A A . 2 ARG HH22 1 1 15 1790 1 1 2 ARG N N 4.182 -1.718 2.560 1.00 . A A . 2 ARG N 1 1 15 1791 1 1 2 ARG NE N 4.401 2.055 0.632 1.00 . A A . 2 ARG NE 1 1 15 1792 1 1 2 ARG NH1 N 6.318 2.263 1.896 1.00 . A A . 2 ARG NH1 1 1 15 1793 1 1 2 ARG NH2 N 6.461 2.134 -0.389 1.00 . A A . 2 ARG NH2 1 1 15 1794 1 1 2 ARG O O 2.667 -2.462 0.354 1.00 . A A . 2 ARG O 1 1 15 1795 1 1 3 PHE C C -0.630 -2.247 -0.265 1.00 . A A . 3 PHE C 1 1 15 1796 1 1 3 PHE CA C 0.058 -3.319 0.569 1.00 . A A . 3 PHE CA 1 1 15 1797 1 1 3 PHE CB C -0.967 -4.287 1.160 1.00 . A A . 3 PHE CB 1 1 15 1798 1 1 3 PHE CD1 C -1.643 -6.691 1.137 1.00 . A A . 3 PHE CD1 1 1 15 1799 1 1 3 PHE CD2 C -0.421 -5.870 -0.736 1.00 . A A . 3 PHE CD2 1 1 15 1800 1 1 3 PHE CE1 C -1.698 -7.944 0.558 1.00 . A A . 3 PHE CE1 1 1 15 1801 1 1 3 PHE CE2 C -0.471 -7.121 -1.321 1.00 . A A . 3 PHE CE2 1 1 15 1802 1 1 3 PHE CG C -1.007 -5.642 0.503 1.00 . A A . 3 PHE CG 1 1 15 1803 1 1 3 PHE CZ C -1.110 -8.160 -0.673 1.00 . A A . 3 PHE CZ 1 1 15 1804 1 1 3 PHE H H 0.385 -2.461 2.473 1.00 . A A . 3 PHE H 1 1 15 1805 1 1 3 PHE HA H 0.744 -3.854 -0.053 1.00 . A A . 3 PHE HA 1 1 15 1806 1 1 3 PHE HB2 H -0.742 -4.439 2.208 1.00 . A A . 3 PHE HB2 1 1 15 1807 1 1 3 PHE HB3 H -1.948 -3.850 1.065 1.00 . A A . 3 PHE HB3 1 1 15 1808 1 1 3 PHE HD1 H -2.104 -6.519 2.098 1.00 . A A . 3 PHE HD1 1 1 15 1809 1 1 3 PHE HD2 H 0.078 -5.059 -1.246 1.00 . A A . 3 PHE HD2 1 1 15 1810 1 1 3 PHE HE1 H -2.198 -8.754 1.068 1.00 . A A . 3 PHE HE1 1 1 15 1811 1 1 3 PHE HE2 H -0.010 -7.287 -2.284 1.00 . A A . 3 PHE HE2 1 1 15 1812 1 1 3 PHE HZ H -1.150 -9.138 -1.128 1.00 . A A . 3 PHE HZ 1 1 15 1813 1 1 3 PHE N N 0.820 -2.666 1.619 1.00 . A A . 3 PHE N 1 1 15 1814 1 1 3 PHE O O -1.697 -2.461 -0.841 1.00 . A A . 3 PHE O 1 1 15 1815 1 1 4 LEU C C -1.951 0.351 -0.699 1.00 . A A . 4 LEU C 1 1 15 1816 1 1 4 LEU CA C -0.482 0.079 -1.020 1.00 . A A . 4 LEU CA 1 1 15 1817 1 1 4 LEU CB C -0.295 -0.108 -2.527 1.00 . A A . 4 LEU CB 1 1 15 1818 1 1 4 LEU CD1 C 1.993 -0.984 -3.057 1.00 . A A . 4 LEU CD1 1 1 15 1819 1 1 4 LEU CD2 C 1.002 0.841 -4.452 1.00 . A A . 4 LEU CD2 1 1 15 1820 1 1 4 LEU CG C 1.097 0.244 -3.055 1.00 . A A . 4 LEU CG 1 1 15 1821 1 1 4 LEU H H 0.846 -0.994 0.193 1.00 . A A . 4 LEU H 1 1 15 1822 1 1 4 LEU HA H 0.111 0.924 -0.691 1.00 . A A . 4 LEU HA 1 1 15 1823 1 1 4 LEU HB2 H -0.498 -1.142 -2.768 1.00 . A A . 4 LEU HB2 1 1 15 1824 1 1 4 LEU HB3 H -1.016 0.511 -3.038 1.00 . A A . 4 LEU HB3 1 1 15 1825 1 1 4 LEU HD11 H 1.630 -1.697 -2.332 1.00 . A A . 4 LEU HD11 1 1 15 1826 1 1 4 LEU HD12 H 3.002 -0.694 -2.803 1.00 . A A . 4 LEU HD12 1 1 15 1827 1 1 4 LEU HD13 H 1.985 -1.434 -4.039 1.00 . A A . 4 LEU HD13 1 1 15 1828 1 1 4 LEU HD21 H 0.967 1.918 -4.382 1.00 . A A . 4 LEU HD21 1 1 15 1829 1 1 4 LEU HD22 H 0.105 0.482 -4.936 1.00 . A A . 4 LEU HD22 1 1 15 1830 1 1 4 LEU HD23 H 1.865 0.545 -5.029 1.00 . A A . 4 LEU HD23 1 1 15 1831 1 1 4 LEU HG H 1.545 0.982 -2.405 1.00 . A A . 4 LEU HG 1 1 15 1832 1 1 4 LEU N N 0.009 -1.079 -0.297 1.00 . A A . 4 LEU N 1 1 15 1833 1 1 4 LEU O O -2.556 -0.342 0.118 1.00 . A A . 4 LEU O 1 1 15 1834 1 1 5 ARG C C -4.711 1.664 -2.426 1.00 . A A . 5 ARG C 1 1 15 1835 1 1 5 ARG CA C -3.913 1.727 -1.126 1.00 . A A . 5 ARG CA 1 1 15 1836 1 1 5 ARG CB C -4.008 3.130 -0.534 1.00 . A A . 5 ARG CB 1 1 15 1837 1 1 5 ARG CD C -1.902 4.319 -0.985 1.00 . A A . 5 ARG CD 1 1 15 1838 1 1 5 ARG CG C -3.336 4.176 -1.385 1.00 . A A . 5 ARG CG 1 1 15 1839 1 1 5 ARG CZ C 0.064 5.530 -1.846 1.00 . A A . 5 ARG CZ 1 1 15 1840 1 1 5 ARG H H -1.984 1.883 -1.985 1.00 . A A . 5 ARG H 1 1 15 1841 1 1 5 ARG HA H -4.325 1.027 -0.424 1.00 . A A . 5 ARG HA 1 1 15 1842 1 1 5 ARG HB2 H -5.047 3.405 -0.426 1.00 . A A . 5 ARG HB2 1 1 15 1843 1 1 5 ARG HB3 H -3.529 3.129 0.442 1.00 . A A . 5 ARG HB3 1 1 15 1844 1 1 5 ARG HD2 H -1.873 4.956 -0.130 1.00 . A A . 5 ARG HD2 1 1 15 1845 1 1 5 ARG HD3 H -1.521 3.341 -0.724 1.00 . A A . 5 ARG HD3 1 1 15 1846 1 1 5 ARG HE H -1.409 4.789 -2.973 1.00 . A A . 5 ARG HE 1 1 15 1847 1 1 5 ARG HG2 H -3.380 3.881 -2.415 1.00 . A A . 5 ARG HG2 1 1 15 1848 1 1 5 ARG HG3 H -3.838 5.122 -1.250 1.00 . A A . 5 ARG HG3 1 1 15 1849 1 1 5 ARG HH11 H 0.034 5.311 0.165 1.00 . A A . 5 ARG HH11 1 1 15 1850 1 1 5 ARG HH12 H 1.401 6.164 -0.468 1.00 . A A . 5 ARG HH12 1 1 15 1851 1 1 5 ARG HH21 H 0.391 5.910 -3.804 1.00 . A A . 5 ARG HH21 1 1 15 1852 1 1 5 ARG HH22 H 1.605 6.504 -2.719 1.00 . A A . 5 ARG HH22 1 1 15 1853 1 1 5 ARG N N -2.517 1.366 -1.346 1.00 . A A . 5 ARG N 1 1 15 1854 1 1 5 ARG NE N -1.084 4.889 -2.052 1.00 . A A . 5 ARG NE 1 1 15 1855 1 1 5 ARG NH1 N 0.538 5.681 -0.615 1.00 . A A . 5 ARG NH1 1 1 15 1856 1 1 5 ARG NH2 N 0.742 6.021 -2.874 1.00 . A A . 5 ARG NH2 1 1 15 1857 1 1 5 ARG O O -5.821 2.192 -2.507 1.00 . A A . 5 ARG O 1 1 15 1858 1 1 6 HIS C C -6.201 0.315 -4.589 1.00 . A A . 6 HIS C 1 1 15 1859 1 1 6 HIS CA C -4.801 0.904 -4.739 1.00 . A A . 6 HIS CA 1 1 15 1860 1 1 6 HIS CB C -3.968 0.032 -5.680 1.00 . A A . 6 HIS CB 1 1 15 1861 1 1 6 HIS CD2 C -4.479 -2.506 -5.521 1.00 . A A . 6 HIS CD2 1 1 15 1862 1 1 6 HIS CE1 C -2.948 -3.050 -4.050 1.00 . A A . 6 HIS CE1 1 1 15 1863 1 1 6 HIS CG C -3.804 -1.377 -5.200 1.00 . A A . 6 HIS CG 1 1 15 1864 1 1 6 HIS H H -3.253 0.627 -3.324 1.00 . A A . 6 HIS H 1 1 15 1865 1 1 6 HIS HA H -4.882 1.895 -5.160 1.00 . A A . 6 HIS HA 1 1 15 1866 1 1 6 HIS HB2 H -4.449 -0.002 -6.650 1.00 . A A . 6 HIS HB2 1 1 15 1867 1 1 6 HIS HB3 H -2.980 0.467 -5.782 1.00 . A A . 6 HIS HB3 1 1 15 1868 1 1 6 HIS HD1 H -2.202 -1.155 -3.850 1.00 . A A . 6 HIS HD1 1 1 15 1869 1 1 6 HIS HD2 H -5.300 -2.586 -6.221 1.00 . A A . 6 HIS HD2 1 1 15 1870 1 1 6 HIS HE1 H -2.330 -3.621 -3.372 1.00 . A A . 6 HIS HE1 1 1 15 1871 1 1 6 HIS HE2 H -4.155 -4.480 -4.882 1.00 . A A . 6 HIS HE2 1 1 15 1872 1 1 6 HIS N N -4.140 1.024 -3.444 1.00 . A A . 6 HIS N 1 1 15 1873 1 1 6 HIS ND1 N -2.852 -1.752 -4.276 1.00 . A A . 6 HIS ND1 1 1 15 1874 1 1 6 HIS NE2 N -3.928 -3.531 -4.793 1.00 . A A . 6 HIS NE2 1 1 15 1875 1 1 6 HIS O O -6.527 -0.161 -3.482 1.00 . A A . 6 HIS O 1 1 16 1876 1 1 1 HIS C C 4.812 -1.717 3.718 1.00 . A A . 1 HIS C 1 1 16 1877 1 1 1 HIS CA C 6.322 -1.825 3.620 1.00 . A A . 1 HIS CA 1 1 16 1878 1 1 1 HIS CB C 6.727 -2.797 2.508 1.00 . A A . 1 HIS CB 1 1 16 1879 1 1 1 HIS CD2 C 8.779 -4.371 2.300 1.00 . A A . 1 HIS CD2 1 1 16 1880 1 1 1 HIS CE1 C 10.344 -2.926 2.819 1.00 . A A . 1 HIS CE1 1 1 16 1881 1 1 1 HIS CG C 8.173 -3.185 2.545 1.00 . A A . 1 HIS CG 1 1 16 1882 1 1 1 HIS H1 H 6.726 -3.311 4.985 1.00 . A A . 1 HIS H1 1 1 16 1883 1 1 1 HIS H2 H 6.453 -1.762 5.673 1.00 . A A . 1 HIS H2 1 1 16 1884 1 1 1 HIS H3 H 7.933 -2.099 4.871 1.00 . A A . 1 HIS H3 1 1 16 1885 1 1 1 HIS HA H 6.712 -0.841 3.398 1.00 . A A . 1 HIS HA 1 1 16 1886 1 1 1 HIS HB2 H 6.140 -3.699 2.598 1.00 . A A . 1 HIS HB2 1 1 16 1887 1 1 1 HIS HB3 H 6.529 -2.340 1.550 1.00 . A A . 1 HIS HB3 1 1 16 1888 1 1 1 HIS HD1 H 9.062 -1.356 3.100 1.00 . A A . 1 HIS HD1 1 1 16 1889 1 1 1 HIS HD2 H 8.292 -5.293 2.016 1.00 . A A . 1 HIS HD2 1 1 16 1890 1 1 1 HIS HE1 H 11.308 -2.484 3.026 1.00 . A A . 1 HIS HE1 1 1 16 1891 1 1 1 HIS HE2 H 10.807 -4.889 2.465 1.00 . A A . 1 HIS HE2 1 1 16 1892 1 1 1 HIS N N 6.912 -2.291 4.903 1.00 . A A . 1 HIS N 1 1 16 1893 1 1 1 HIS ND1 N 9.181 -2.301 2.869 1.00 . A A . 1 HIS ND1 1 1 16 1894 1 1 1 HIS NE2 N 10.128 -4.182 2.477 1.00 . A A . 1 HIS NE2 1 1 16 1895 1 1 1 HIS O O 4.260 -1.601 4.812 1.00 . A A . 1 HIS O 1 1 16 1896 1 1 2 ARG C C 2.063 -2.273 1.376 1.00 . A A . 2 ARG C 1 1 16 1897 1 1 2 ARG CA C 2.699 -1.568 2.558 1.00 . A A . 2 ARG CA 1 1 16 1898 1 1 2 ARG CB C 2.325 -0.085 2.529 1.00 . A A . 2 ARG CB 1 1 16 1899 1 1 2 ARG CD C 3.434 2.101 1.966 1.00 . A A . 2 ARG CD 1 1 16 1900 1 1 2 ARG CG C 3.541 0.784 2.720 1.00 . A A . 2 ARG CG 1 1 16 1901 1 1 2 ARG CZ C 4.428 3.752 3.502 1.00 . A A . 2 ARG CZ 1 1 16 1902 1 1 2 ARG H H 4.630 -1.777 1.723 1.00 . A A . 2 ARG H 1 1 16 1903 1 1 2 ARG HA H 2.342 -1.981 3.463 1.00 . A A . 2 ARG HA 1 1 16 1904 1 1 2 ARG HB2 H 1.861 0.158 1.570 1.00 . A A . 2 ARG HB2 1 1 16 1905 1 1 2 ARG HB3 H 1.627 0.121 3.326 1.00 . A A . 2 ARG HB3 1 1 16 1906 1 1 2 ARG HD2 H 4.299 2.206 1.329 1.00 . A A . 2 ARG HD2 1 1 16 1907 1 1 2 ARG HD3 H 2.541 2.083 1.359 1.00 . A A . 2 ARG HD3 1 1 16 1908 1 1 2 ARG HE H 2.493 3.657 3.020 1.00 . A A . 2 ARG HE 1 1 16 1909 1 1 2 ARG HG2 H 3.686 0.979 3.771 1.00 . A A . 2 ARG HG2 1 1 16 1910 1 1 2 ARG HG3 H 4.377 0.229 2.352 1.00 . A A . 2 ARG HG3 1 1 16 1911 1 1 2 ARG HH11 H 5.750 2.439 2.715 1.00 . A A . 2 ARG HH11 1 1 16 1912 1 1 2 ARG HH12 H 6.422 3.608 3.800 1.00 . A A . 2 ARG HH12 1 1 16 1913 1 1 2 ARG HH21 H 3.376 5.196 4.447 1.00 . A A . 2 ARG HH21 1 1 16 1914 1 1 2 ARG HH22 H 5.075 5.173 4.785 1.00 . A A . 2 ARG HH22 1 1 16 1915 1 1 2 ARG N N 4.143 -1.713 2.570 1.00 . A A . 2 ARG N 1 1 16 1916 1 1 2 ARG NE N 3.370 3.245 2.872 1.00 . A A . 2 ARG NE 1 1 16 1917 1 1 2 ARG NH1 N 5.632 3.223 3.324 1.00 . A A . 2 ARG NH1 1 1 16 1918 1 1 2 ARG NH2 N 4.281 4.792 4.311 1.00 . A A . 2 ARG NH2 1 1 16 1919 1 1 2 ARG O O 2.682 -2.421 0.322 1.00 . A A . 2 ARG O 1 1 16 1920 1 1 3 PHE C C -0.607 -2.185 -0.365 1.00 . A A . 3 PHE C 1 1 16 1921 1 1 3 PHE CA C 0.068 -3.281 0.450 1.00 . A A . 3 PHE CA 1 1 16 1922 1 1 3 PHE CB C -0.966 -4.270 0.988 1.00 . A A . 3 PHE CB 1 1 16 1923 1 1 3 PHE CD1 C -1.591 -6.688 0.932 1.00 . A A . 3 PHE CD1 1 1 16 1924 1 1 3 PHE CD2 C -0.294 -5.841 -0.878 1.00 . A A . 3 PHE CD2 1 1 16 1925 1 1 3 PHE CE1 C -1.590 -7.942 0.352 1.00 . A A . 3 PHE CE1 1 1 16 1926 1 1 3 PHE CE2 C -0.289 -7.092 -1.465 1.00 . A A . 3 PHE CE2 1 1 16 1927 1 1 3 PHE CG C -0.945 -5.625 0.330 1.00 . A A . 3 PHE CG 1 1 16 1928 1 1 3 PHE CZ C -0.938 -8.144 -0.849 1.00 . A A . 3 PHE CZ 1 1 16 1929 1 1 3 PHE H H 0.348 -2.471 2.382 1.00 . A A . 3 PHE H 1 1 16 1930 1 1 3 PHE HA H 0.770 -3.793 -0.173 1.00 . A A . 3 PHE HA 1 1 16 1931 1 1 3 PHE HB2 H -0.790 -4.419 2.047 1.00 . A A . 3 PHE HB2 1 1 16 1932 1 1 3 PHE HB3 H -1.950 -3.854 0.846 1.00 . A A . 3 PHE HB3 1 1 16 1933 1 1 3 PHE HD1 H -2.102 -6.526 1.869 1.00 . A A . 3 PHE HD1 1 1 16 1934 1 1 3 PHE HD2 H 0.213 -5.021 -1.364 1.00 . A A . 3 PHE HD2 1 1 16 1935 1 1 3 PHE HE1 H -2.099 -8.762 0.836 1.00 . A A . 3 PHE HE1 1 1 16 1936 1 1 3 PHE HE2 H 0.222 -7.248 -2.403 1.00 . A A . 3 PHE HE2 1 1 16 1937 1 1 3 PHE HZ H -0.936 -9.123 -1.305 1.00 . A A . 3 PHE HZ 1 1 16 1938 1 1 3 PHE N N 0.803 -2.655 1.535 1.00 . A A . 3 PHE N 1 1 16 1939 1 1 3 PHE O O -1.668 -2.380 -0.958 1.00 . A A . 3 PHE O 1 1 16 1940 1 1 4 LEU C C -1.902 0.444 -0.725 1.00 . A A . 4 LEU C 1 1 16 1941 1 1 4 LEU CA C -0.441 0.157 -1.062 1.00 . A A . 4 LEU CA 1 1 16 1942 1 1 4 LEU CB C -0.267 -0.007 -2.573 1.00 . A A . 4 LEU CB 1 1 16 1943 1 1 4 LEU CD1 C 2.022 -0.829 -3.182 1.00 . A A . 4 LEU CD1 1 1 16 1944 1 1 4 LEU CD2 C 0.981 1.036 -4.482 1.00 . A A . 4 LEU CD2 1 1 16 1945 1 1 4 LEU CG C 1.110 0.385 -3.112 1.00 . A A . 4 LEU CG 1 1 16 1946 1 1 4 LEU H H 0.870 -0.950 0.140 1.00 . A A . 4 LEU H 1 1 16 1947 1 1 4 LEU HA H 0.166 0.987 -0.722 1.00 . A A . 4 LEU HA 1 1 16 1948 1 1 4 LEU HB2 H -0.447 -1.043 -2.824 1.00 . A A . 4 LEU HB2 1 1 16 1949 1 1 4 LEU HB3 H -1.009 0.600 -3.068 1.00 . A A . 4 LEU HB3 1 1 16 1950 1 1 4 LEU HD11 H 2.692 -0.729 -4.023 1.00 . A A . 4 LEU HD11 1 1 16 1951 1 1 4 LEU HD12 H 1.425 -1.721 -3.301 1.00 . A A . 4 LEU HD12 1 1 16 1952 1 1 4 LEU HD13 H 2.597 -0.900 -2.270 1.00 . A A . 4 LEU HD13 1 1 16 1953 1 1 4 LEU HD21 H 1.768 1.764 -4.610 1.00 . A A . 4 LEU HD21 1 1 16 1954 1 1 4 LEU HD22 H 0.021 1.525 -4.558 1.00 . A A . 4 LEU HD22 1 1 16 1955 1 1 4 LEU HD23 H 1.061 0.280 -5.248 1.00 . A A . 4 LEU HD23 1 1 16 1956 1 1 4 LEU HG H 1.561 1.103 -2.441 1.00 . A A . 4 LEU HG 1 1 16 1957 1 1 4 LEU N N 0.038 -1.020 -0.362 1.00 . A A . 4 LEU N 1 1 16 1958 1 1 4 LEU O O -2.509 -0.249 0.091 1.00 . A A . 4 LEU O 1 1 16 1959 1 1 5 ARG C C -4.698 1.639 -2.381 1.00 . A A . 5 ARG C 1 1 16 1960 1 1 5 ARG CA C -3.851 1.849 -1.128 1.00 . A A . 5 ARG CA 1 1 16 1961 1 1 5 ARG CB C -3.933 3.309 -0.693 1.00 . A A . 5 ARG CB 1 1 16 1962 1 1 5 ARG CD C -1.830 4.444 -1.278 1.00 . A A . 5 ARG CD 1 1 16 1963 1 1 5 ARG CG C -3.263 4.250 -1.660 1.00 . A A . 5 ARG CG 1 1 16 1964 1 1 5 ARG CZ C 0.153 5.497 -2.295 1.00 . A A . 5 ARG CZ 1 1 16 1965 1 1 5 ARG H H -1.926 1.985 -2.000 1.00 . A A . 5 ARG H 1 1 16 1966 1 1 5 ARG HA H -4.230 1.230 -0.337 1.00 . A A . 5 ARG HA 1 1 16 1967 1 1 5 ARG HB2 H -4.969 3.601 -0.607 1.00 . A A . 5 ARG HB2 1 1 16 1968 1 1 5 ARG HB3 H -3.446 3.413 0.274 1.00 . A A . 5 ARG HB3 1 1 16 1969 1 1 5 ARG HD2 H -1.801 5.196 -0.523 1.00 . A A . 5 ARG HD2 1 1 16 1970 1 1 5 ARG HD3 H -1.453 3.512 -0.879 1.00 . A A . 5 ARG HD3 1 1 16 1971 1 1 5 ARG HE H -1.336 4.637 -3.311 1.00 . A A . 5 ARG HE 1 1 16 1972 1 1 5 ARG HG2 H -3.305 3.836 -2.648 1.00 . A A . 5 ARG HG2 1 1 16 1973 1 1 5 ARG HG3 H -3.768 5.204 -1.638 1.00 . A A . 5 ARG HG3 1 1 16 1974 1 1 5 ARG HH11 H 0.123 5.553 -0.274 1.00 . A A . 5 ARG HH11 1 1 16 1975 1 1 5 ARG HH12 H 1.504 6.287 -1.016 1.00 . A A . 5 ARG HH12 1 1 16 1976 1 1 5 ARG HH21 H 0.482 5.602 -4.286 1.00 . A A . 5 ARG HH21 1 1 16 1977 1 1 5 ARG HH22 H 1.708 6.315 -3.293 1.00 . A A . 5 ARG HH22 1 1 16 1978 1 1 5 ARG N N -2.461 1.470 -1.360 1.00 . A A . 5 ARG N 1 1 16 1979 1 1 5 ARG NE N -1.006 4.853 -2.413 1.00 . A A . 5 ARG NE 1 1 16 1980 1 1 5 ARG NH1 N 0.632 5.804 -1.096 1.00 . A A . 5 ARG NH1 1 1 16 1981 1 1 5 ARG NH2 N 0.837 5.832 -3.381 1.00 . A A . 5 ARG NH2 1 1 16 1982 1 1 5 ARG O O -5.854 2.060 -2.435 1.00 . A A . 5 ARG O 1 1 16 1983 1 1 6 HIS C C -6.180 0.090 -4.391 1.00 . A A . 6 HIS C 1 1 16 1984 1 1 6 HIS CA C -4.822 0.740 -4.644 1.00 . A A . 6 HIS CA 1 1 16 1985 1 1 6 HIS CB C -3.978 -0.155 -5.553 1.00 . A A . 6 HIS CB 1 1 16 1986 1 1 6 HIS CD2 C -3.029 -1.877 -3.861 1.00 . A A . 6 HIS CD2 1 1 16 1987 1 1 6 HIS CE1 C -3.768 -3.706 -4.818 1.00 . A A . 6 HIS CE1 1 1 16 1988 1 1 6 HIS CG C -3.708 -1.509 -4.973 1.00 . A A . 6 HIS CG 1 1 16 1989 1 1 6 HIS H H -3.193 0.686 -3.296 1.00 . A A . 6 HIS H 1 1 16 1990 1 1 6 HIS HA H -4.975 1.691 -5.133 1.00 . A A . 6 HIS HA 1 1 16 1991 1 1 6 HIS HB2 H -4.498 -0.294 -6.493 1.00 . A A . 6 HIS HB2 1 1 16 1992 1 1 6 HIS HB3 H -3.024 0.327 -5.736 1.00 . A A . 6 HIS HB3 1 1 16 1993 1 1 6 HIS HD1 H -4.685 -2.744 -6.374 1.00 . A A . 6 HIS HD1 1 1 16 1994 1 1 6 HIS HD2 H -2.537 -1.216 -3.162 1.00 . A A . 6 HIS HD2 1 1 16 1995 1 1 6 HIS HE1 H -3.975 -4.745 -5.027 1.00 . A A . 6 HIS HE1 1 1 16 1996 1 1 6 HIS HE2 H -2.605 -3.801 -3.135 1.00 . A A . 6 HIS HE2 1 1 16 1997 1 1 6 HIS N N -4.118 0.994 -3.391 1.00 . A A . 6 HIS N 1 1 16 1998 1 1 6 HIS ND1 N -4.158 -2.678 -5.550 1.00 . A A . 6 HIS ND1 1 1 16 1999 1 1 6 HIS NE2 N -3.081 -3.247 -3.788 1.00 . A A . 6 HIS NE2 1 1 16 2000 1 1 6 HIS O O -7.165 0.512 -5.033 1.00 . A A . 6 HIS O 1 1 17 2001 1 1 1 HIS C C 4.843 -1.689 3.699 1.00 . A A . 1 HIS C 1 1 17 2002 1 1 1 HIS CA C 6.352 -1.755 3.563 1.00 . A A . 1 HIS CA 1 1 17 2003 1 1 1 HIS CB C 6.757 -2.694 2.423 1.00 . A A . 1 HIS CB 1 1 17 2004 1 1 1 HIS CD2 C 7.334 -2.274 -0.071 1.00 . A A . 1 HIS CD2 1 1 17 2005 1 1 1 HIS CE1 C 8.515 -0.445 0.177 1.00 . A A . 1 HIS CE1 1 1 17 2006 1 1 1 HIS CG C 7.365 -1.987 1.252 1.00 . A A . 1 HIS CG 1 1 17 2007 1 1 1 HIS H1 H 6.491 -1.780 5.615 1.00 . A A . 1 HIS H1 1 1 17 2008 1 1 1 HIS H2 H 7.988 -1.951 4.795 1.00 . A A . 1 HIS H2 1 1 17 2009 1 1 1 HIS H3 H 6.885 -3.265 4.855 1.00 . A A . 1 HIS H3 1 1 17 2010 1 1 1 HIS HA H 6.710 -0.756 3.352 1.00 . A A . 1 HIS HA 1 1 17 2011 1 1 1 HIS HB2 H 7.481 -3.405 2.792 1.00 . A A . 1 HIS HB2 1 1 17 2012 1 1 1 HIS HB3 H 5.884 -3.225 2.074 1.00 . A A . 1 HIS HB3 1 1 17 2013 1 1 1 HIS HD1 H 8.321 -0.372 2.212 1.00 . A A . 1 HIS HD1 1 1 17 2014 1 1 1 HIS HD2 H 6.833 -3.114 -0.533 1.00 . A A . 1 HIS HD2 1 1 17 2015 1 1 1 HIS HE1 H 9.118 0.427 -0.035 1.00 . A A . 1 HIS HE1 1 1 17 2016 1 1 1 HIS HE2 H 8.281 -1.297 -1.670 1.00 . A A . 1 HIS HE2 1 1 17 2017 1 1 1 HIS N N 6.986 -2.231 4.820 1.00 . A A . 1 HIS N 1 1 17 2018 1 1 1 HIS ND1 N 8.114 -0.835 1.374 1.00 . A A . 1 HIS ND1 1 1 17 2019 1 1 1 HIS NE2 N 8.056 -1.301 -0.716 1.00 . A A . 1 HIS NE2 1 1 17 2020 1 1 1 HIS O O 4.315 -1.600 4.808 1.00 . A A . 1 HIS O 1 1 17 2021 1 1 2 ARG C C 2.053 -2.301 1.424 1.00 . A A . 2 ARG C 1 1 17 2022 1 1 2 ARG CA C 2.699 -1.583 2.593 1.00 . A A . 2 ARG CA 1 1 17 2023 1 1 2 ARG CB C 2.288 -0.110 2.579 1.00 . A A . 2 ARG CB 1 1 17 2024 1 1 2 ARG CD C 3.326 2.115 2.044 1.00 . A A . 2 ARG CD 1 1 17 2025 1 1 2 ARG CG C 3.481 0.790 2.771 1.00 . A A . 2 ARG CG 1 1 17 2026 1 1 2 ARG CZ C 1.576 3.396 3.220 1.00 . A A . 2 ARG CZ 1 1 17 2027 1 1 2 ARG H H 4.614 -1.730 1.709 1.00 . A A . 2 ARG H 1 1 17 2028 1 1 2 ARG HA H 2.376 -2.007 3.505 1.00 . A A . 2 ARG HA 1 1 17 2029 1 1 2 ARG HB2 H 1.814 0.128 1.624 1.00 . A A . 2 ARG HB2 1 1 17 2030 1 1 2 ARG HB3 H 1.588 0.071 3.380 1.00 . A A . 2 ARG HB3 1 1 17 2031 1 1 2 ARG HD2 H 4.283 2.400 1.634 1.00 . A A . 2 ARG HD2 1 1 17 2032 1 1 2 ARG HD3 H 2.615 1.990 1.241 1.00 . A A . 2 ARG HD3 1 1 17 2033 1 1 2 ARG HE H 3.535 3.760 3.335 1.00 . A A . 2 ARG HE 1 1 17 2034 1 1 2 ARG HG2 H 3.635 0.968 3.824 1.00 . A A . 2 ARG HG2 1 1 17 2035 1 1 2 ARG HG3 H 4.327 0.266 2.382 1.00 . A A . 2 ARG HG3 1 1 17 2036 1 1 2 ARG HH11 H 0.872 1.877 2.085 1.00 . A A . 2 ARG HH11 1 1 17 2037 1 1 2 ARG HH12 H -0.332 2.799 2.919 1.00 . A A . 2 ARG HH12 1 1 17 2038 1 1 2 ARG HH21 H 1.950 4.970 4.432 1.00 . A A . 2 ARG HH21 1 1 17 2039 1 1 2 ARG HH22 H 0.279 4.553 4.251 1.00 . A A . 2 ARG HH22 1 1 17 2040 1 1 2 ARG N N 4.146 -1.689 2.568 1.00 . A A . 2 ARG N 1 1 17 2041 1 1 2 ARG NE N 2.858 3.177 2.932 1.00 . A A . 2 ARG NE 1 1 17 2042 1 1 2 ARG NH1 N 0.628 2.627 2.698 1.00 . A A . 2 ARG NH1 1 1 17 2043 1 1 2 ARG NH2 N 1.241 4.388 4.034 1.00 . A A . 2 ARG NH2 1 1 17 2044 1 1 2 ARG O O 2.660 -2.457 0.364 1.00 . A A . 2 ARG O 1 1 17 2045 1 1 3 PHE C C -0.625 -2.237 -0.299 1.00 . A A . 3 PHE C 1 1 17 2046 1 1 3 PHE CA C 0.048 -3.322 0.530 1.00 . A A . 3 PHE CA 1 1 17 2047 1 1 3 PHE CB C -0.987 -4.294 1.091 1.00 . A A . 3 PHE CB 1 1 17 2048 1 1 3 PHE CD1 C -1.761 -6.663 0.919 1.00 . A A . 3 PHE CD1 1 1 17 2049 1 1 3 PHE CD2 C -0.551 -5.757 -0.923 1.00 . A A . 3 PHE CD2 1 1 17 2050 1 1 3 PHE CE1 C -1.880 -7.868 0.254 1.00 . A A . 3 PHE CE1 1 1 17 2051 1 1 3 PHE CE2 C -0.666 -6.960 -1.594 1.00 . A A . 3 PHE CE2 1 1 17 2052 1 1 3 PHE CG C -1.098 -5.596 0.343 1.00 . A A . 3 PHE CG 1 1 17 2053 1 1 3 PHE CZ C -1.331 -8.017 -1.004 1.00 . A A . 3 PHE CZ 1 1 17 2054 1 1 3 PHE H H 0.349 -2.493 2.451 1.00 . A A . 3 PHE H 1 1 17 2055 1 1 3 PHE HA H 0.741 -3.852 -0.088 1.00 . A A . 3 PHE HA 1 1 17 2056 1 1 3 PHE HB2 H -0.731 -4.526 2.118 1.00 . A A . 3 PHE HB2 1 1 17 2057 1 1 3 PHE HB3 H -1.953 -3.819 1.064 1.00 . A A . 3 PHE HB3 1 1 17 2058 1 1 3 PHE HD1 H -2.191 -6.543 1.901 1.00 . A A . 3 PHE HD1 1 1 17 2059 1 1 3 PHE HD2 H -0.032 -4.932 -1.387 1.00 . A A . 3 PHE HD2 1 1 17 2060 1 1 3 PHE HE1 H -2.400 -8.693 0.718 1.00 . A A . 3 PHE HE1 1 1 17 2061 1 1 3 PHE HE2 H -0.235 -7.073 -2.578 1.00 . A A . 3 PHE HE2 1 1 17 2062 1 1 3 PHE HZ H -1.422 -8.958 -1.526 1.00 . A A . 3 PHE HZ 1 1 17 2063 1 1 3 PHE N N 0.796 -2.684 1.600 1.00 . A A . 3 PHE N 1 1 17 2064 1 1 3 PHE O O -1.683 -2.442 -0.895 1.00 . A A . 3 PHE O 1 1 17 2065 1 1 4 LEU C C -1.931 0.373 -0.710 1.00 . A A . 4 LEU C 1 1 17 2066 1 1 4 LEU CA C -0.461 0.099 -1.020 1.00 . A A . 4 LEU CA 1 1 17 2067 1 1 4 LEU CB C -0.256 -0.070 -2.527 1.00 . A A . 4 LEU CB 1 1 17 2068 1 1 4 LEU CD1 C 1.829 -1.386 -2.986 1.00 . A A . 4 LEU CD1 1 1 17 2069 1 1 4 LEU CD2 C 1.287 0.620 -4.378 1.00 . A A . 4 LEU CD2 1 1 17 2070 1 1 4 LEU CG C 1.200 -0.001 -2.992 1.00 . A A . 4 LEU CG 1 1 17 2071 1 1 4 LEU H H 0.846 -0.994 0.198 1.00 . A A . 4 LEU H 1 1 17 2072 1 1 4 LEU HA H 0.132 0.937 -0.674 1.00 . A A . 4 LEU HA 1 1 17 2073 1 1 4 LEU HB2 H -0.661 -1.029 -2.818 1.00 . A A . 4 LEU HB2 1 1 17 2074 1 1 4 LEU HB3 H -0.810 0.705 -3.034 1.00 . A A . 4 LEU HB3 1 1 17 2075 1 1 4 LEU HD11 H 1.592 -1.893 -3.910 1.00 . A A . 4 LEU HD11 1 1 17 2076 1 1 4 LEU HD12 H 1.441 -1.954 -2.154 1.00 . A A . 4 LEU HD12 1 1 17 2077 1 1 4 LEU HD13 H 2.901 -1.294 -2.891 1.00 . A A . 4 LEU HD13 1 1 17 2078 1 1 4 LEU HD21 H 1.462 1.682 -4.287 1.00 . A A . 4 LEU HD21 1 1 17 2079 1 1 4 LEU HD22 H 0.361 0.452 -4.907 1.00 . A A . 4 LEU HD22 1 1 17 2080 1 1 4 LEU HD23 H 2.101 0.167 -4.925 1.00 . A A . 4 LEU HD23 1 1 17 2081 1 1 4 LEU HG H 1.760 0.622 -2.310 1.00 . A A . 4 LEU HG 1 1 17 2082 1 1 4 LEU N N 0.017 -1.071 -0.306 1.00 . A A . 4 LEU N 1 1 17 2083 1 1 4 LEU O O -2.550 -0.333 0.085 1.00 . A A . 4 LEU O 1 1 17 2084 1 1 5 ARG C C -4.685 1.655 -2.420 1.00 . A A . 5 ARG C 1 1 17 2085 1 1 5 ARG CA C -3.880 1.772 -1.128 1.00 . A A . 5 ARG CA 1 1 17 2086 1 1 5 ARG CB C -3.973 3.197 -0.591 1.00 . A A . 5 ARG CB 1 1 17 2087 1 1 5 ARG CD C -1.853 4.358 -1.047 1.00 . A A . 5 ARG CD 1 1 17 2088 1 1 5 ARG CG C -3.279 4.203 -1.472 1.00 . A A . 5 ARG CG 1 1 17 2089 1 1 5 ARG CZ C 0.157 5.467 -1.944 1.00 . A A . 5 ARG CZ 1 1 17 2090 1 1 5 ARG H H -1.940 1.933 -1.961 1.00 . A A . 5 ARG H 1 1 17 2091 1 1 5 ARG HA H -4.286 1.099 -0.396 1.00 . A A . 5 ARG HA 1 1 17 2092 1 1 5 ARG HB2 H -5.011 3.484 -0.511 1.00 . A A . 5 ARG HB2 1 1 17 2093 1 1 5 ARG HB3 H -3.510 3.231 0.392 1.00 . A A . 5 ARG HB3 1 1 17 2094 1 1 5 ARG HD2 H -1.837 5.054 -0.239 1.00 . A A . 5 ARG HD2 1 1 17 2095 1 1 5 ARG HD3 H -1.490 3.398 -0.708 1.00 . A A . 5 ARG HD3 1 1 17 2096 1 1 5 ARG HE H -1.316 4.695 -3.051 1.00 . A A . 5 ARG HE 1 1 17 2097 1 1 5 ARG HG2 H -3.303 3.864 -2.488 1.00 . A A . 5 ARG HG2 1 1 17 2098 1 1 5 ARG HG3 H -3.780 5.156 -1.388 1.00 . A A . 5 ARG HG3 1 1 17 2099 1 1 5 ARG HH11 H 0.088 5.369 0.075 1.00 . A A . 5 ARG HH11 1 1 17 2100 1 1 5 ARG HH12 H 1.487 6.148 -0.583 1.00 . A A . 5 ARG HH12 1 1 17 2101 1 1 5 ARG HH21 H 0.526 5.719 -3.915 1.00 . A A . 5 ARG HH21 1 1 17 2102 1 1 5 ARG HH22 H 1.736 6.347 -2.847 1.00 . A A . 5 ARG HH22 1 1 17 2103 1 1 5 ARG N N -2.483 1.405 -1.341 1.00 . A A . 5 ARG N 1 1 17 2104 1 1 5 ARG NE N -1.004 4.843 -2.132 1.00 . A A . 5 ARG NE 1 1 17 2105 1 1 5 ARG NH1 N 0.615 5.678 -0.717 1.00 . A A . 5 ARG NH1 1 1 17 2106 1 1 5 ARG NH2 N 0.865 5.878 -2.988 1.00 . A A . 5 ARG NH2 1 1 17 2107 1 1 5 ARG O O -5.802 2.165 -2.511 1.00 . A A . 5 ARG O 1 1 17 2108 1 1 6 HIS C C -6.207 0.310 -4.527 1.00 . A A . 6 HIS C 1 1 17 2109 1 1 6 HIS CA C -4.777 0.816 -4.707 1.00 . A A . 6 HIS CA 1 1 17 2110 1 1 6 HIS CB C -3.984 -0.153 -5.589 1.00 . A A . 6 HIS CB 1 1 17 2111 1 1 6 HIS CD2 C -4.144 -2.737 -5.763 1.00 . A A . 6 HIS CD2 1 1 17 2112 1 1 6 HIS CE1 C -3.905 -3.219 -3.638 1.00 . A A . 6 HIS CE1 1 1 17 2113 1 1 6 HIS CG C -3.998 -1.568 -5.095 1.00 . A A . 6 HIS CG 1 1 17 2114 1 1 6 HIS H H -3.218 0.609 -3.292 1.00 . A A . 6 HIS H 1 1 17 2115 1 1 6 HIS HA H -4.808 1.781 -5.190 1.00 . A A . 6 HIS HA 1 1 17 2116 1 1 6 HIS HB2 H -4.406 -0.147 -6.586 1.00 . A A . 6 HIS HB2 1 1 17 2117 1 1 6 HIS HB3 H -2.951 0.175 -5.632 1.00 . A A . 6 HIS HB3 1 1 17 2118 1 1 6 HIS HD1 H -3.725 -1.276 -3.025 1.00 . A A . 6 HIS HD1 1 1 17 2119 1 1 6 HIS HD2 H -4.284 -2.854 -6.829 1.00 . A A . 6 HIS HD2 1 1 17 2120 1 1 6 HIS HE1 H -3.820 -3.768 -2.711 1.00 . A A . 6 HIS HE1 1 1 17 2121 1 1 6 HIS HE2 H -4.226 -4.699 -5.017 1.00 . A A . 6 HIS HE2 1 1 17 2122 1 1 6 HIS N N -4.111 0.989 -3.420 1.00 . A A . 6 HIS N 1 1 17 2123 1 1 6 HIS ND1 N -3.851 -1.905 -3.765 1.00 . A A . 6 HIS ND1 1 1 17 2124 1 1 6 HIS NE2 N -4.083 -3.747 -4.834 1.00 . A A . 6 HIS NE2 1 1 17 2125 1 1 6 HIS O O -6.506 -0.243 -3.447 1.00 . A A . 6 HIS O 1 1 18 2126 1 1 1 HIS C C 4.849 -1.615 3.693 1.00 . A A . 1 HIS C 1 1 18 2127 1 1 1 HIS CA C 6.358 -1.693 3.562 1.00 . A A . 1 HIS CA 1 1 18 2128 1 1 1 HIS CB C 6.763 -2.726 2.507 1.00 . A A . 1 HIS CB 1 1 18 2129 1 1 1 HIS CD2 C 8.434 -2.683 0.523 1.00 . A A . 1 HIS CD2 1 1 18 2130 1 1 1 HIS CE1 C 8.137 -0.602 -0.100 1.00 . A A . 1 HIS CE1 1 1 18 2131 1 1 1 HIS CG C 7.511 -2.138 1.351 1.00 . A A . 1 HIS CG 1 1 18 2132 1 1 1 HIS H1 H 8.016 -2.144 4.694 1.00 . A A . 1 HIS H1 1 1 18 2133 1 1 1 HIS H2 H 6.584 -2.966 5.162 1.00 . A A . 1 HIS H2 1 1 18 2134 1 1 1 HIS H3 H 6.783 -1.303 5.537 1.00 . A A . 1 HIS H3 1 1 18 2135 1 1 1 HIS HA H 6.716 -0.716 3.266 1.00 . A A . 1 HIS HA 1 1 18 2136 1 1 1 HIS HB2 H 7.397 -3.469 2.967 1.00 . A A . 1 HIS HB2 1 1 18 2137 1 1 1 HIS HB3 H 5.876 -3.207 2.121 1.00 . A A . 1 HIS HB3 1 1 18 2138 1 1 1 HIS HD1 H 6.742 -0.176 1.335 1.00 . A A . 1 HIS HD1 1 1 18 2139 1 1 1 HIS HD2 H 8.807 -3.697 0.558 1.00 . A A . 1 HIS HD2 1 1 18 2140 1 1 1 HIS HE1 H 8.222 0.333 -0.633 1.00 . A A . 1 HIS HE1 1 1 18 2141 1 1 1 HIS HE2 H 9.525 -1.786 -1.030 1.00 . A A . 1 HIS HE2 1 1 18 2142 1 1 1 HIS N N 6.993 -2.059 4.855 1.00 . A A . 1 HIS N 1 1 18 2143 1 1 1 HIS ND1 N 7.348 -0.833 0.934 1.00 . A A . 1 HIS ND1 1 1 18 2144 1 1 1 HIS NE2 N 8.807 -1.707 -0.368 1.00 . A A . 1 HIS NE2 1 1 18 2145 1 1 1 HIS O O 4.321 -1.466 4.795 1.00 . A A . 1 HIS O 1 1 18 2146 1 1 2 ARG C C 2.059 -2.338 1.453 1.00 . A A . 2 ARG C 1 1 18 2147 1 1 2 ARG CA C 2.708 -1.561 2.582 1.00 . A A . 2 ARG CA 1 1 18 2148 1 1 2 ARG CB C 2.301 -0.090 2.491 1.00 . A A . 2 ARG CB 1 1 18 2149 1 1 2 ARG CD C 3.345 2.103 1.846 1.00 . A A . 2 ARG CD 1 1 18 2150 1 1 2 ARG CG C 3.498 0.813 2.635 1.00 . A A . 2 ARG CG 1 1 18 2151 1 1 2 ARG CZ C 2.756 4.446 2.328 1.00 . A A . 2 ARG CZ 1 1 18 2152 1 1 2 ARG H H 4.623 -1.761 1.708 1.00 . A A . 2 ARG H 1 1 18 2153 1 1 2 ARG HA H 2.383 -1.936 3.515 1.00 . A A . 2 ARG HA 1 1 18 2154 1 1 2 ARG HB2 H 1.827 0.100 1.525 1.00 . A A . 2 ARG HB2 1 1 18 2155 1 1 2 ARG HB3 H 1.603 0.135 3.283 1.00 . A A . 2 ARG HB3 1 1 18 2156 1 1 2 ARG HD2 H 4.324 2.442 1.543 1.00 . A A . 2 ARG HD2 1 1 18 2157 1 1 2 ARG HD3 H 2.746 1.904 0.970 1.00 . A A . 2 ARG HD3 1 1 18 2158 1 1 2 ARG HE H 2.202 2.878 3.430 1.00 . A A . 2 ARG HE 1 1 18 2159 1 1 2 ARG HG2 H 3.656 1.041 3.678 1.00 . A A . 2 ARG HG2 1 1 18 2160 1 1 2 ARG HG3 H 4.341 0.268 2.269 1.00 . A A . 2 ARG HG3 1 1 18 2161 1 1 2 ARG HH11 H 3.893 4.190 0.674 1.00 . A A . 2 ARG HH11 1 1 18 2162 1 1 2 ARG HH12 H 3.463 5.829 1.033 1.00 . A A . 2 ARG HH12 1 1 18 2163 1 1 2 ARG HH21 H 1.635 5.032 3.904 1.00 . A A . 2 ARG HH21 1 1 18 2164 1 1 2 ARG HH22 H 2.182 6.307 2.867 1.00 . A A . 2 ARG HH22 1 1 18 2165 1 1 2 ARG N N 4.154 -1.674 2.564 1.00 . A A . 2 ARG N 1 1 18 2166 1 1 2 ARG NE N 2.702 3.152 2.633 1.00 . A A . 2 ARG NE 1 1 18 2167 1 1 2 ARG NH1 N 3.426 4.855 1.257 1.00 . A A . 2 ARG NH1 1 1 18 2168 1 1 2 ARG NH2 N 2.141 5.335 3.096 1.00 . A A . 2 ARG NH2 1 1 18 2169 1 1 2 ARG O O 2.661 -2.544 0.399 1.00 . A A . 2 ARG O 1 1 18 2170 1 1 3 PHE C C -0.630 -2.363 -0.252 1.00 . A A . 3 PHE C 1 1 18 2171 1 1 3 PHE CA C 0.052 -3.407 0.622 1.00 . A A . 3 PHE CA 1 1 18 2172 1 1 3 PHE CB C -0.978 -4.353 1.238 1.00 . A A . 3 PHE CB 1 1 18 2173 1 1 3 PHE CD1 C -1.606 -6.766 1.355 1.00 . A A . 3 PHE CD1 1 1 18 2174 1 1 3 PHE CD2 C -0.356 -6.042 -0.540 1.00 . A A . 3 PHE CD2 1 1 18 2175 1 1 3 PHE CE1 C -1.622 -8.055 0.857 1.00 . A A . 3 PHE CE1 1 1 18 2176 1 1 3 PHE CE2 C -0.369 -7.330 -1.044 1.00 . A A . 3 PHE CE2 1 1 18 2177 1 1 3 PHE CG C -0.975 -5.748 0.668 1.00 . A A . 3 PHE CG 1 1 18 2178 1 1 3 PHE CZ C -1.002 -8.337 -0.344 1.00 . A A . 3 PHE CZ 1 1 18 2179 1 1 3 PHE H H 0.361 -2.483 2.498 1.00 . A A . 3 PHE H 1 1 18 2180 1 1 3 PHE HA H 0.744 -3.962 0.024 1.00 . A A . 3 PHE HA 1 1 18 2181 1 1 3 PHE HB2 H -0.786 -4.435 2.301 1.00 . A A . 3 PHE HB2 1 1 18 2182 1 1 3 PHE HB3 H -1.962 -3.941 1.085 1.00 . A A . 3 PHE HB3 1 1 18 2183 1 1 3 PHE HD1 H -2.092 -6.543 2.292 1.00 . A A . 3 PHE HD1 1 1 18 2184 1 1 3 PHE HD2 H 0.138 -5.257 -1.090 1.00 . A A . 3 PHE HD2 1 1 18 2185 1 1 3 PHE HE1 H -2.119 -8.841 1.407 1.00 . A A . 3 PHE HE1 1 1 18 2186 1 1 3 PHE HE2 H 0.117 -7.547 -1.984 1.00 . A A . 3 PHE HE2 1 1 18 2187 1 1 3 PHE HZ H -1.014 -9.344 -0.736 1.00 . A A . 3 PHE HZ 1 1 18 2188 1 1 3 PHE N N 0.803 -2.715 1.654 1.00 . A A . 3 PHE N 1 1 18 2189 1 1 3 PHE O O -1.700 -2.591 -0.816 1.00 . A A . 3 PHE O 1 1 18 2190 1 1 4 LEU C C -1.920 0.252 -0.744 1.00 . A A . 4 LEU C 1 1 18 2191 1 1 4 LEU CA C -0.469 -0.069 -1.095 1.00 . A A . 4 LEU CA 1 1 18 2192 1 1 4 LEU CB C -0.332 -0.331 -2.596 1.00 . A A . 4 LEU CB 1 1 18 2193 1 1 4 LEU CD1 C 1.759 -1.621 -3.094 1.00 . A A . 4 LEU CD1 1 1 18 2194 1 1 4 LEU CD2 C 1.098 0.295 -4.558 1.00 . A A . 4 LEU CD2 1 1 18 2195 1 1 4 LEU CG C 1.097 -0.253 -3.139 1.00 . A A . 4 LEU CG 1 1 18 2196 1 1 4 LEU H H 0.855 -1.103 0.155 1.00 . A A . 4 LEU H 1 1 18 2197 1 1 4 LEU HA H 0.151 0.777 -0.823 1.00 . A A . 4 LEU HA 1 1 18 2198 1 1 4 LEU HB2 H -0.722 -1.316 -2.805 1.00 . A A . 4 LEU HB2 1 1 18 2199 1 1 4 LEU HB3 H -0.933 0.395 -3.122 1.00 . A A . 4 LEU HB3 1 1 18 2200 1 1 4 LEU HD11 H 1.425 -2.211 -3.934 1.00 . A A . 4 LEU HD11 1 1 18 2201 1 1 4 LEU HD12 H 1.492 -2.120 -2.174 1.00 . A A . 4 LEU HD12 1 1 18 2202 1 1 4 LEU HD13 H 2.832 -1.503 -3.141 1.00 . A A . 4 LEU HD13 1 1 18 2203 1 1 4 LEU HD21 H 1.966 0.921 -4.702 1.00 . A A . 4 LEU HD21 1 1 18 2204 1 1 4 LEU HD22 H 0.203 0.878 -4.720 1.00 . A A . 4 LEU HD22 1 1 18 2205 1 1 4 LEU HD23 H 1.126 -0.525 -5.261 1.00 . A A . 4 LEU HD23 1 1 18 2206 1 1 4 LEU HG H 1.674 0.418 -2.520 1.00 . A A . 4 LEU HG 1 1 18 2207 1 1 4 LEU N N 0.017 -1.202 -0.330 1.00 . A A . 4 LEU N 1 1 18 2208 1 1 4 LEU O O -2.536 -0.428 0.076 1.00 . A A . 4 LEU O 1 1 18 2209 1 1 5 ARG C C -4.641 1.728 -2.419 1.00 . A A . 5 ARG C 1 1 18 2210 1 1 5 ARG CA C -3.836 1.704 -1.123 1.00 . A A . 5 ARG CA 1 1 18 2211 1 1 5 ARG CB C -3.864 3.086 -0.476 1.00 . A A . 5 ARG CB 1 1 18 2212 1 1 5 ARG CD C -1.708 4.186 -0.907 1.00 . A A . 5 ARG CD 1 1 18 2213 1 1 5 ARG CG C -3.151 4.132 -1.293 1.00 . A A . 5 ARG CG 1 1 18 2214 1 1 5 ARG CZ C 0.320 5.295 -1.763 1.00 . A A . 5 ARG CZ 1 1 18 2215 1 1 5 ARG H H -1.917 1.797 -2.013 1.00 . A A . 5 ARG H 1 1 18 2216 1 1 5 ARG HA H -4.273 0.995 -0.446 1.00 . A A . 5 ARG HA 1 1 18 2217 1 1 5 ARG HB2 H -4.888 3.403 -0.350 1.00 . A A . 5 ARG HB2 1 1 18 2218 1 1 5 ARG HB3 H -3.380 3.026 0.495 1.00 . A A . 5 ARG HB3 1 1 18 2219 1 1 5 ARG HD2 H -1.635 4.797 -0.036 1.00 . A A . 5 ARG HD2 1 1 18 2220 1 1 5 ARG HD3 H -1.377 3.183 -0.676 1.00 . A A . 5 ARG HD3 1 1 18 2221 1 1 5 ARG HE H -1.217 4.693 -2.886 1.00 . A A . 5 ARG HE 1 1 18 2222 1 1 5 ARG HG2 H -3.222 3.883 -2.333 1.00 . A A . 5 ARG HG2 1 1 18 2223 1 1 5 ARG HG3 H -3.603 5.095 -1.112 1.00 . A A . 5 ARG HG3 1 1 18 2224 1 1 5 ARG HH11 H 0.306 5.011 0.240 1.00 . A A . 5 ARG HH11 1 1 18 2225 1 1 5 ARG HH12 H 1.718 5.791 -0.388 1.00 . A A . 5 ARG HH12 1 1 18 2226 1 1 5 ARG HH21 H 0.641 5.719 -3.712 1.00 . A A . 5 ARG HH21 1 1 18 2227 1 1 5 ARG HH22 H 1.908 6.193 -2.631 1.00 . A A . 5 ARG HH22 1 1 18 2228 1 1 5 ARG N N -2.458 1.293 -1.370 1.00 . A A . 5 ARG N 1 1 18 2229 1 1 5 ARG NE N -0.872 4.739 -1.969 1.00 . A A . 5 ARG NE 1 1 18 2230 1 1 5 ARG NH1 N 0.822 5.372 -0.536 1.00 . A A . 5 ARG NH1 1 1 18 2231 1 1 5 ARG NH2 N 1.013 5.775 -2.786 1.00 . A A . 5 ARG NH2 1 1 18 2232 1 1 5 ARG O O -5.685 2.376 -2.499 1.00 . A A . 5 ARG O 1 1 18 2233 1 1 6 HIS C C -6.288 0.580 -4.569 1.00 . A A . 6 HIS C 1 1 18 2234 1 1 6 HIS CA C -4.821 0.972 -4.728 1.00 . A A . 6 HIS CA 1 1 18 2235 1 1 6 HIS CB C -4.115 -0.020 -5.654 1.00 . A A . 6 HIS CB 1 1 18 2236 1 1 6 HIS CD2 C -3.336 -2.036 -4.218 1.00 . A A . 6 HIS CD2 1 1 18 2237 1 1 6 HIS CE1 C -4.780 -3.519 -4.940 1.00 . A A . 6 HIS CE1 1 1 18 2238 1 1 6 HIS CG C -4.121 -1.425 -5.138 1.00 . A A . 6 HIS CG 1 1 18 2239 1 1 6 HIS H H -3.311 0.530 -3.315 1.00 . A A . 6 HIS H 1 1 18 2240 1 1 6 HIS HA H -4.768 1.959 -5.164 1.00 . A A . 6 HIS HA 1 1 18 2241 1 1 6 HIS HB2 H -4.610 -0.018 -6.617 1.00 . A A . 6 HIS HB2 1 1 18 2242 1 1 6 HIS HB3 H -3.083 0.286 -5.777 1.00 . A A . 6 HIS HB3 1 1 18 2243 1 1 6 HIS HD1 H -5.717 -2.248 -6.241 1.00 . A A . 6 HIS HD1 1 1 18 2244 1 1 6 HIS HD2 H -2.522 -1.583 -3.669 1.00 . A A . 6 HIS HD2 1 1 18 2245 1 1 6 HIS HE1 H -5.323 -4.442 -5.077 1.00 . A A . 6 HIS HE1 1 1 18 2246 1 1 6 HIS HE2 H -3.440 -3.993 -3.465 1.00 . A A . 6 HIS HE2 1 1 18 2247 1 1 6 HIS N N -4.148 1.023 -3.435 1.00 . A A . 6 HIS N 1 1 18 2248 1 1 6 HIS ND1 N -5.015 -2.382 -5.571 1.00 . A A . 6 HIS ND1 1 1 18 2249 1 1 6 HIS NE2 N -3.766 -3.335 -4.115 1.00 . A A . 6 HIS NE2 1 1 18 2250 1 1 6 HIS O O -7.160 1.372 -4.987 1.00 . A A . 6 HIS O 1 1 19 2251 1 1 1 HIS C C 4.828 -1.654 3.695 1.00 . A A . 1 HIS C 1 1 19 2252 1 1 1 HIS CA C 6.338 -1.646 3.543 1.00 . A A . 1 HIS CA 1 1 19 2253 1 1 1 HIS CB C 6.777 -2.534 2.376 1.00 . A A . 1 HIS CB 1 1 19 2254 1 1 1 HIS CD2 C 9.023 -3.833 2.429 1.00 . A A . 1 HIS CD2 1 1 19 2255 1 1 1 HIS CE1 C 10.373 -2.152 2.029 1.00 . A A . 1 HIS CE1 1 1 19 2256 1 1 1 HIS CG C 8.260 -2.721 2.293 1.00 . A A . 1 HIS CG 1 1 19 2257 1 1 1 HIS H1 H 6.629 -1.571 5.579 1.00 . A A . 1 HIS H1 1 1 19 2258 1 1 1 HIS H2 H 8.029 -1.971 4.670 1.00 . A A . 1 HIS H2 1 1 19 2259 1 1 1 HIS H3 H 6.786 -3.134 4.892 1.00 . A A . 1 HIS H3 1 1 19 2260 1 1 1 HIS HA H 6.646 -0.627 3.356 1.00 . A A . 1 HIS HA 1 1 19 2261 1 1 1 HIS HB2 H 6.325 -3.509 2.484 1.00 . A A . 1 HIS HB2 1 1 19 2262 1 1 1 HIS HB3 H 6.446 -2.089 1.450 1.00 . A A . 1 HIS HB3 1 1 19 2263 1 1 1 HIS HD1 H 8.889 -0.749 1.900 1.00 . A A . 1 HIS HD1 1 1 19 2264 1 1 1 HIS HD2 H 8.668 -4.833 2.631 1.00 . A A . 1 HIS HD2 1 1 19 2265 1 1 1 HIS HE1 H 11.266 -1.569 1.856 1.00 . A A . 1 HIS HE1 1 1 19 2266 1 1 1 HIS HE2 H 11.114 -4.021 2.415 1.00 . A A . 1 HIS HE2 1 1 19 2267 1 1 1 HIS N N 7.006 -2.123 4.783 1.00 . A A . 1 HIS N 1 1 19 2268 1 1 1 HIS ND1 N 9.137 -1.686 2.044 1.00 . A A . 1 HIS ND1 1 1 19 2269 1 1 1 HIS NE2 N 10.332 -3.451 2.260 1.00 . A A . 1 HIS NE2 1 1 19 2270 1 1 1 HIS O O 4.310 -1.619 4.812 1.00 . A A . 1 HIS O 1 1 19 2271 1 1 2 ARG C C 2.035 -2.347 1.454 1.00 . A A . 2 ARG C 1 1 19 2272 1 1 2 ARG CA C 2.669 -1.610 2.618 1.00 . A A . 2 ARG CA 1 1 19 2273 1 1 2 ARG CB C 2.198 -0.155 2.618 1.00 . A A . 2 ARG CB 1 1 19 2274 1 1 2 ARG CD C 3.141 2.132 2.167 1.00 . A A . 2 ARG CD 1 1 19 2275 1 1 2 ARG CG C 3.351 0.789 2.846 1.00 . A A . 2 ARG CG 1 1 19 2276 1 1 2 ARG CZ C 2.800 4.487 2.807 1.00 . A A . 2 ARG CZ 1 1 19 2277 1 1 2 ARG H H 4.576 -1.646 1.707 1.00 . A A . 2 ARG H 1 1 19 2278 1 1 2 ARG HA H 2.375 -2.052 3.533 1.00 . A A . 2 ARG HA 1 1 19 2279 1 1 2 ARG HB2 H 1.733 0.079 1.657 1.00 . A A . 2 ARG HB2 1 1 19 2280 1 1 2 ARG HB3 H 1.476 -0.015 3.408 1.00 . A A . 2 ARG HB3 1 1 19 2281 1 1 2 ARG HD2 H 4.026 2.376 1.599 1.00 . A A . 2 ARG HD2 1 1 19 2282 1 1 2 ARG HD3 H 2.295 2.057 1.500 1.00 . A A . 2 ARG HD3 1 1 19 2283 1 1 2 ARG HE H 2.785 2.945 4.072 1.00 . A A . 2 ARG HE 1 1 19 2284 1 1 2 ARG HG2 H 3.495 0.935 3.906 1.00 . A A . 2 ARG HG2 1 1 19 2285 1 1 2 ARG HG3 H 4.220 0.316 2.443 1.00 . A A . 2 ARG HG3 1 1 19 2286 1 1 2 ARG HH11 H 3.112 4.194 0.830 1.00 . A A . 2 ARG HH11 1 1 19 2287 1 1 2 ARG HH12 H 2.869 5.841 1.306 1.00 . A A . 2 ARG HH12 1 1 19 2288 1 1 2 ARG HH21 H 2.465 5.110 4.700 1.00 . A A . 2 ARG HH21 1 1 19 2289 1 1 2 ARG HH22 H 2.502 6.361 3.502 1.00 . A A . 2 ARG HH22 1 1 19 2290 1 1 2 ARG N N 4.118 -1.653 2.573 1.00 . A A . 2 ARG N 1 1 19 2291 1 1 2 ARG NE N 2.891 3.200 3.132 1.00 . A A . 2 ARG NE 1 1 19 2292 1 1 2 ARG NH1 N 2.938 4.872 1.544 1.00 . A A . 2 ARG NH1 1 1 19 2293 1 1 2 ARG NH2 N 2.570 5.394 3.746 1.00 . A A . 2 ARG NH2 1 1 19 2294 1 1 2 ARG O O 2.650 -2.515 0.401 1.00 . A A . 2 ARG O 1 1 19 2295 1 1 3 PHE C C -0.630 -2.312 -0.287 1.00 . A A . 3 PHE C 1 1 19 2296 1 1 3 PHE CA C 0.037 -3.386 0.560 1.00 . A A . 3 PHE CA 1 1 19 2297 1 1 3 PHE CB C -1.003 -4.349 1.129 1.00 . A A . 3 PHE CB 1 1 19 2298 1 1 3 PHE CD1 C -1.721 -6.740 1.055 1.00 . A A . 3 PHE CD1 1 1 19 2299 1 1 3 PHE CD2 C -0.468 -5.904 -0.792 1.00 . A A . 3 PHE CD2 1 1 19 2300 1 1 3 PHE CE1 C -1.792 -7.981 0.451 1.00 . A A . 3 PHE CE1 1 1 19 2301 1 1 3 PHE CE2 C -0.536 -7.143 -1.402 1.00 . A A . 3 PHE CE2 1 1 19 2302 1 1 3 PHE CG C -1.061 -5.690 0.446 1.00 . A A . 3 PHE CG 1 1 19 2303 1 1 3 PHE CZ C -1.199 -8.182 -0.780 1.00 . A A . 3 PHE CZ 1 1 19 2304 1 1 3 PHE H H 0.324 -2.529 2.471 1.00 . A A . 3 PHE H 1 1 19 2305 1 1 3 PHE HA H 0.735 -3.924 -0.046 1.00 . A A . 3 PHE HA 1 1 19 2306 1 1 3 PHE HB2 H -0.784 -4.525 2.175 1.00 . A A . 3 PHE HB2 1 1 19 2307 1 1 3 PHE HB3 H -1.976 -3.897 1.040 1.00 . A A . 3 PHE HB3 1 1 19 2308 1 1 3 PHE HD1 H -2.186 -6.579 2.015 1.00 . A A . 3 PHE HD1 1 1 19 2309 1 1 3 PHE HD2 H 0.049 -5.093 -1.282 1.00 . A A . 3 PHE HD2 1 1 19 2310 1 1 3 PHE HE1 H -2.312 -8.792 0.940 1.00 . A A . 3 PHE HE1 1 1 19 2311 1 1 3 PHE HE2 H -0.070 -7.298 -2.364 1.00 . A A . 3 PHE HE2 1 1 19 2312 1 1 3 PHE HZ H -1.253 -9.151 -1.254 1.00 . A A . 3 PHE HZ 1 1 19 2313 1 1 3 PHE N N 0.777 -2.732 1.626 1.00 . A A . 3 PHE N 1 1 19 2314 1 1 3 PHE O O -1.692 -2.518 -0.875 1.00 . A A . 3 PHE O 1 1 19 2315 1 1 4 LEU C C -1.910 0.315 -0.724 1.00 . A A . 4 LEU C 1 1 19 2316 1 1 4 LEU CA C -0.451 0.008 -1.050 1.00 . A A . 4 LEU CA 1 1 19 2317 1 1 4 LEU CB C -0.278 -0.197 -2.556 1.00 . A A . 4 LEU CB 1 1 19 2318 1 1 4 LEU CD1 C 1.663 -1.747 -2.895 1.00 . A A . 4 LEU CD1 1 1 19 2319 1 1 4 LEU CD2 C 1.294 0.157 -4.473 1.00 . A A . 4 LEU CD2 1 1 19 2320 1 1 4 LEU CG C 1.170 -0.315 -3.032 1.00 . A A . 4 LEU CG 1 1 19 2321 1 1 4 LEU H H 0.852 -1.071 0.184 1.00 . A A . 4 LEU H 1 1 19 2322 1 1 4 LEU HA H 0.160 0.844 -0.733 1.00 . A A . 4 LEU HA 1 1 19 2323 1 1 4 LEU HB2 H -0.803 -1.098 -2.837 1.00 . A A . 4 LEU HB2 1 1 19 2324 1 1 4 LEU HB3 H -0.733 0.639 -3.065 1.00 . A A . 4 LEU HB3 1 1 19 2325 1 1 4 LEU HD11 H 1.151 -2.226 -2.073 1.00 . A A . 4 LEU HD11 1 1 19 2326 1 1 4 LEU HD12 H 2.726 -1.745 -2.705 1.00 . A A . 4 LEU HD12 1 1 19 2327 1 1 4 LEU HD13 H 1.460 -2.286 -3.808 1.00 . A A . 4 LEU HD13 1 1 19 2328 1 1 4 LEU HD21 H 1.159 -0.682 -5.140 1.00 . A A . 4 LEU HD21 1 1 19 2329 1 1 4 LEU HD22 H 2.273 0.587 -4.629 1.00 . A A . 4 LEU HD22 1 1 19 2330 1 1 4 LEU HD23 H 0.538 0.902 -4.674 1.00 . A A . 4 LEU HD23 1 1 19 2331 1 1 4 LEU HG H 1.798 0.315 -2.418 1.00 . A A . 4 LEU HG 1 1 19 2332 1 1 4 LEU N N 0.020 -1.151 -0.317 1.00 . A A . 4 LEU N 1 1 19 2333 1 1 4 LEU O O -2.538 -0.378 0.076 1.00 . A A . 4 LEU O 1 1 19 2334 1 1 5 ARG C C -4.619 1.723 -2.433 1.00 . A A . 5 ARG C 1 1 19 2335 1 1 5 ARG CA C -3.825 1.763 -1.130 1.00 . A A . 5 ARG CA 1 1 19 2336 1 1 5 ARG CB C -3.874 3.170 -0.542 1.00 . A A . 5 ARG CB 1 1 19 2337 1 1 5 ARG CD C -1.721 4.272 -0.988 1.00 . A A . 5 ARG CD 1 1 19 2338 1 1 5 ARG CG C -3.157 4.185 -1.393 1.00 . A A . 5 ARG CG 1 1 19 2339 1 1 5 ARG CZ C 0.316 5.340 -1.878 1.00 . A A . 5 ARG CZ 1 1 19 2340 1 1 5 ARG H H -1.889 1.872 -1.977 1.00 . A A . 5 ARG H 1 1 19 2341 1 1 5 ARG HA H -4.260 1.076 -0.428 1.00 . A A . 5 ARG HA 1 1 19 2342 1 1 5 ARG HB2 H -4.901 3.484 -0.442 1.00 . A A . 5 ARG HB2 1 1 19 2343 1 1 5 ARG HB3 H -3.401 3.155 0.437 1.00 . A A . 5 ARG HB3 1 1 19 2344 1 1 5 ARG HD2 H -1.666 4.935 -0.155 1.00 . A A . 5 ARG HD2 1 1 19 2345 1 1 5 ARG HD3 H -1.388 3.287 -0.691 1.00 . A A . 5 ARG HD3 1 1 19 2346 1 1 5 ARG HE H -1.202 4.660 -2.986 1.00 . A A . 5 ARG HE 1 1 19 2347 1 1 5 ARG HG2 H -3.209 3.888 -2.422 1.00 . A A . 5 ARG HG2 1 1 19 2348 1 1 5 ARG HG3 H -3.622 5.151 -1.264 1.00 . A A . 5 ARG HG3 1 1 19 2349 1 1 5 ARG HH11 H 0.272 5.183 0.138 1.00 . A A . 5 ARG HH11 1 1 19 2350 1 1 5 ARG HH12 H 1.690 5.929 -0.517 1.00 . A A . 5 ARG HH12 1 1 19 2351 1 1 5 ARG HH21 H 0.666 5.641 -3.846 1.00 . A A . 5 ARG HH21 1 1 19 2352 1 1 5 ARG HH22 H 1.914 6.190 -2.777 1.00 . A A . 5 ARG HH22 1 1 19 2353 1 1 5 ARG N N -2.441 1.359 -1.351 1.00 . A A . 5 ARG N 1 1 19 2354 1 1 5 ARG NE N -0.870 4.765 -2.068 1.00 . A A . 5 ARG NE 1 1 19 2355 1 1 5 ARG NH1 N 0.798 5.496 -0.652 1.00 . A A . 5 ARG NH1 1 1 19 2356 1 1 5 ARG NH2 N 1.023 5.758 -2.919 1.00 . A A . 5 ARG NH2 1 1 19 2357 1 1 5 ARG O O -5.654 2.377 -2.559 1.00 . A A . 5 ARG O 1 1 19 2358 1 1 6 HIS C C -6.263 0.502 -4.536 1.00 . A A . 6 HIS C 1 1 19 2359 1 1 6 HIS CA C -4.783 0.843 -4.700 1.00 . A A . 6 HIS CA 1 1 19 2360 1 1 6 HIS CB C -4.093 -0.223 -5.553 1.00 . A A . 6 HIS CB 1 1 19 2361 1 1 6 HIS CD2 C -3.950 -2.054 -3.720 1.00 . A A . 6 HIS CD2 1 1 19 2362 1 1 6 HIS CE1 C -4.546 -3.776 -4.939 1.00 . A A . 6 HIS CE1 1 1 19 2363 1 1 6 HIS CG C -4.184 -1.602 -4.975 1.00 . A A . 6 HIS CG 1 1 19 2364 1 1 6 HIS H H -3.292 0.465 -3.247 1.00 . A A . 6 HIS H 1 1 19 2365 1 1 6 HIS HA H -4.698 1.799 -5.196 1.00 . A A . 6 HIS HA 1 1 19 2366 1 1 6 HIS HB2 H -4.553 -0.244 -6.533 1.00 . A A . 6 HIS HB2 1 1 19 2367 1 1 6 HIS HB3 H -3.043 0.029 -5.652 1.00 . A A . 6 HIS HB3 1 1 19 2368 1 1 6 HIS HD1 H -4.790 -2.705 -6.666 1.00 . A A . 6 HIS HD1 1 1 19 2369 1 1 6 HIS HD2 H -3.639 -1.459 -2.872 1.00 . A A . 6 HIS HD2 1 1 19 2370 1 1 6 HIS HE1 H -4.793 -4.781 -5.247 1.00 . A A . 6 HIS HE1 1 1 19 2371 1 1 6 HIS HE2 H -4.010 -4.016 -2.977 1.00 . A A . 6 HIS HE2 1 1 19 2372 1 1 6 HIS N N -4.123 0.959 -3.404 1.00 . A A . 6 HIS N 1 1 19 2373 1 1 6 HIS ND1 N -4.554 -2.706 -5.714 1.00 . A A . 6 HIS ND1 1 1 19 2374 1 1 6 HIS NE2 N -4.182 -3.407 -3.725 1.00 . A A . 6 HIS NE2 1 1 19 2375 1 1 6 HIS O O -6.668 0.153 -3.407 1.00 . A A . 6 HIS O 1 1 20 2376 1 1 1 HIS C C 4.890 -1.604 3.686 1.00 . A A . 1 HIS C 1 1 20 2377 1 1 1 HIS CA C 6.397 -1.732 3.557 1.00 . A A . 1 HIS CA 1 1 20 2378 1 1 1 HIS CB C 6.767 -2.806 2.530 1.00 . A A . 1 HIS CB 1 1 20 2379 1 1 1 HIS CD2 C 8.290 -2.836 0.431 1.00 . A A . 1 HIS CD2 1 1 20 2380 1 1 1 HIS CE1 C 7.968 -0.770 -0.228 1.00 . A A . 1 HIS CE1 1 1 20 2381 1 1 1 HIS CG C 7.435 -2.258 1.308 1.00 . A A . 1 HIS CG 1 1 20 2382 1 1 1 HIS H1 H 6.542 -1.532 5.600 1.00 . A A . 1 HIS H1 1 1 20 2383 1 1 1 HIS H2 H 8.031 -1.840 4.803 1.00 . A A . 1 HIS H2 1 1 20 2384 1 1 1 HIS H3 H 6.888 -3.104 5.011 1.00 . A A . 1 HIS H3 1 1 20 2385 1 1 1 HIS HA H 6.785 -0.776 3.234 1.00 . A A . 1 HIS HA 1 1 20 2386 1 1 1 HIS HB2 H 7.441 -3.514 2.987 1.00 . A A . 1 HIS HB2 1 1 20 2387 1 1 1 HIS HB3 H 5.870 -3.321 2.217 1.00 . A A . 1 HIS HB3 1 1 20 2388 1 1 1 HIS HD1 H 6.687 -0.288 1.294 1.00 . A A . 1 HIS HD1 1 1 20 2389 1 1 1 HIS HD2 H 8.655 -3.852 0.468 1.00 . A A . 1 HIS HD2 1 1 20 2390 1 1 1 HIS HE1 H 8.021 0.149 -0.793 1.00 . A A . 1 HIS HE1 1 1 20 2391 1 1 1 HIS HE2 H 9.274 -1.995 -1.222 1.00 . A A . 1 HIS HE2 1 1 20 2392 1 1 1 HIS N N 7.021 -2.084 4.860 1.00 . A A . 1 HIS N 1 1 20 2393 1 1 1 HIS ND1 N 7.254 -0.964 0.868 1.00 . A A . 1 HIS ND1 1 1 20 2394 1 1 1 HIS NE2 N 8.606 -1.890 -0.512 1.00 . A A . 1 HIS NE2 1 1 20 2395 1 1 1 HIS O O 4.370 -1.386 4.780 1.00 . A A . 1 HIS O 1 1 20 2396 1 1 2 ARG C C 2.077 -2.330 1.462 1.00 . A A . 2 ARG C 1 1 20 2397 1 1 2 ARG CA C 2.746 -1.546 2.575 1.00 . A A . 2 ARG CA 1 1 20 2398 1 1 2 ARG CB C 2.378 -0.066 2.450 1.00 . A A . 2 ARG CB 1 1 20 2399 1 1 2 ARG CD C 3.475 2.033 1.612 1.00 . A A . 2 ARG CD 1 1 20 2400 1 1 2 ARG CG C 3.605 0.806 2.499 1.00 . A A . 2 ARG CG 1 1 20 2401 1 1 2 ARG CZ C 4.302 2.837 -0.565 1.00 . A A . 2 ARG CZ 1 1 20 2402 1 1 2 ARG H H 4.653 -1.843 1.710 1.00 . A A . 2 ARG H 1 1 20 2403 1 1 2 ARG HA H 2.411 -1.891 3.515 1.00 . A A . 2 ARG HA 1 1 20 2404 1 1 2 ARG HB2 H 1.860 0.105 1.504 1.00 . A A . 2 ARG HB2 1 1 20 2405 1 1 2 ARG HB3 H 1.728 0.208 3.268 1.00 . A A . 2 ARG HB3 1 1 20 2406 1 1 2 ARG HD2 H 2.434 2.174 1.363 1.00 . A A . 2 ARG HD2 1 1 20 2407 1 1 2 ARG HD3 H 3.835 2.895 2.156 1.00 . A A . 2 ARG HD3 1 1 20 2408 1 1 2 ARG HE H 4.740 1.064 0.242 1.00 . A A . 2 ARG HE 1 1 20 2409 1 1 2 ARG HG2 H 3.793 1.111 3.518 1.00 . A A . 2 ARG HG2 1 1 20 2410 1 1 2 ARG HG3 H 4.422 0.205 2.161 1.00 . A A . 2 ARG HG3 1 1 20 2411 1 1 2 ARG HH11 H 3.098 4.140 0.405 1.00 . A A . 2 ARG HH11 1 1 20 2412 1 1 2 ARG HH12 H 3.692 4.679 -1.129 1.00 . A A . 2 ARG HH12 1 1 20 2413 1 1 2 ARG HH21 H 5.522 1.775 -1.776 1.00 . A A . 2 ARG HH21 1 1 20 2414 1 1 2 ARG HH22 H 5.067 3.339 -2.366 1.00 . A A . 2 ARG HH22 1 1 20 2415 1 1 2 ARG N N 4.189 -1.699 2.561 1.00 . A A . 2 ARG N 1 1 20 2416 1 1 2 ARG NE N 4.243 1.898 0.377 1.00 . A A . 2 ARG NE 1 1 20 2417 1 1 2 ARG NH1 N 3.643 3.979 -0.417 1.00 . A A . 2 ARG NH1 1 1 20 2418 1 1 2 ARG NH2 N 5.023 2.633 -1.659 1.00 . A A . 2 ARG NH2 1 1 20 2419 1 1 2 ARG O O 2.666 -2.554 0.404 1.00 . A A . 2 ARG O 1 1 20 2420 1 1 3 PHE C C -0.640 -2.356 -0.209 1.00 . A A . 3 PHE C 1 1 20 2421 1 1 3 PHE CA C 0.054 -3.393 0.664 1.00 . A A . 3 PHE CA 1 1 20 2422 1 1 3 PHE CB C -0.965 -4.335 1.302 1.00 . A A . 3 PHE CB 1 1 20 2423 1 1 3 PHE CD1 C -1.588 -6.748 1.438 1.00 . A A . 3 PHE CD1 1 1 20 2424 1 1 3 PHE CD2 C -0.382 -6.027 -0.486 1.00 . A A . 3 PHE CD2 1 1 20 2425 1 1 3 PHE CE1 C -1.614 -8.038 0.943 1.00 . A A . 3 PHE CE1 1 1 20 2426 1 1 3 PHE CE2 C -0.405 -7.315 -0.987 1.00 . A A . 3 PHE CE2 1 1 20 2427 1 1 3 PHE CG C -0.975 -5.730 0.735 1.00 . A A . 3 PHE CG 1 1 20 2428 1 1 3 PHE CZ C -1.021 -8.322 -0.271 1.00 . A A . 3 PHE CZ 1 1 20 2429 1 1 3 PHE H H 0.389 -2.450 2.526 1.00 . A A . 3 PHE H 1 1 20 2430 1 1 3 PHE HA H 0.737 -3.953 0.061 1.00 . A A . 3 PHE HA 1 1 20 2431 1 1 3 PHE HB2 H -0.753 -4.416 2.362 1.00 . A A . 3 PHE HB2 1 1 20 2432 1 1 3 PHE HB3 H -1.952 -3.923 1.167 1.00 . A A . 3 PHE HB3 1 1 20 2433 1 1 3 PHE HD1 H -2.053 -6.523 2.385 1.00 . A A . 3 PHE HD1 1 1 20 2434 1 1 3 PHE HD2 H 0.099 -5.242 -1.049 1.00 . A A . 3 PHE HD2 1 1 20 2435 1 1 3 PHE HE1 H -2.098 -8.823 1.506 1.00 . A A . 3 PHE HE1 1 1 20 2436 1 1 3 PHE HE2 H 0.060 -7.534 -1.938 1.00 . A A . 3 PHE HE2 1 1 20 2437 1 1 3 PHE HZ H -1.040 -9.329 -0.661 1.00 . A A . 3 PHE HZ 1 1 20 2438 1 1 3 PHE N N 0.821 -2.694 1.681 1.00 . A A . 3 PHE N 1 1 20 2439 1 1 3 PHE O O -1.713 -2.592 -0.765 1.00 . A A . 3 PHE O 1 1 20 2440 1 1 4 LEU C C -1.949 0.240 -0.720 1.00 . A A . 4 LEU C 1 1 20 2441 1 1 4 LEU CA C -0.493 -0.065 -1.063 1.00 . A A . 4 LEU CA 1 1 20 2442 1 1 4 LEU CB C -0.343 -0.324 -2.563 1.00 . A A . 4 LEU CB 1 1 20 2443 1 1 4 LEU CD1 C 1.961 -1.081 -3.197 1.00 . A A . 4 LEU CD1 1 1 20 2444 1 1 4 LEU CD2 C 0.807 0.673 -4.557 1.00 . A A . 4 LEU CD2 1 1 20 2445 1 1 4 LEU CG C 1.001 0.097 -3.161 1.00 . A A . 4 LEU CG 1 1 20 2446 1 1 4 LEU H H 0.843 -1.090 0.182 1.00 . A A . 4 LEU H 1 1 20 2447 1 1 4 LEU HA H 0.117 0.787 -0.788 1.00 . A A . 4 LEU HA 1 1 20 2448 1 1 4 LEU HB2 H -0.478 -1.381 -2.740 1.00 . A A . 4 LEU HB2 1 1 20 2449 1 1 4 LEU HB3 H -1.126 0.212 -3.079 1.00 . A A . 4 LEU HB3 1 1 20 2450 1 1 4 LEU HD11 H 1.463 -1.939 -3.623 1.00 . A A . 4 LEU HD11 1 1 20 2451 1 1 4 LEU HD12 H 2.283 -1.313 -2.193 1.00 . A A . 4 LEU HD12 1 1 20 2452 1 1 4 LEU HD13 H 2.820 -0.827 -3.801 1.00 . A A . 4 LEU HD13 1 1 20 2453 1 1 4 LEU HD21 H 1.658 0.420 -5.172 1.00 . A A . 4 LEU HD21 1 1 20 2454 1 1 4 LEU HD22 H 0.717 1.748 -4.493 1.00 . A A . 4 LEU HD22 1 1 20 2455 1 1 4 LEU HD23 H -0.090 0.262 -4.995 1.00 . A A . 4 LEU HD23 1 1 20 2456 1 1 4 LEU HG H 1.438 0.865 -2.539 1.00 . A A . 4 LEU HG 1 1 20 2457 1 1 4 LEU N N 0.002 -1.193 -0.297 1.00 . A A . 4 LEU N 1 1 20 2458 1 1 4 LEU O O -2.553 -0.428 0.118 1.00 . A A . 4 LEU O 1 1 20 2459 1 1 5 ARG C C -4.684 1.706 -2.434 1.00 . A A . 5 ARG C 1 1 20 2460 1 1 5 ARG CA C -3.891 1.652 -1.131 1.00 . A A . 5 ARG CA 1 1 20 2461 1 1 5 ARG CB C -3.938 3.014 -0.447 1.00 . A A . 5 ARG CB 1 1 20 2462 1 1 5 ARG CD C -1.790 4.149 -0.836 1.00 . A A . 5 ARG CD 1 1 20 2463 1 1 5 ARG CG C -3.231 4.090 -1.232 1.00 . A A . 5 ARG CG 1 1 20 2464 1 1 5 ARG CZ C 0.222 5.333 -1.629 1.00 . A A . 5 ARG CZ 1 1 20 2465 1 1 5 ARG H H -1.974 1.755 -2.026 1.00 . A A . 5 ARG H 1 1 20 2466 1 1 5 ARG HA H -4.330 0.921 -0.479 1.00 . A A . 5 ARG HA 1 1 20 2467 1 1 5 ARG HB2 H -4.966 3.316 -0.317 1.00 . A A . 5 ARG HB2 1 1 20 2468 1 1 5 ARG HB3 H -3.457 2.934 0.525 1.00 . A A . 5 ARG HB3 1 1 20 2469 1 1 5 ARG HD2 H -1.731 4.723 0.061 1.00 . A A . 5 ARG HD2 1 1 20 2470 1 1 5 ARG HD3 H -1.447 3.141 -0.646 1.00 . A A . 5 ARG HD3 1 1 20 2471 1 1 5 ARG HE H -1.291 4.740 -2.789 1.00 . A A . 5 ARG HE 1 1 20 2472 1 1 5 ARG HG2 H -3.293 3.867 -2.278 1.00 . A A . 5 ARG HG2 1 1 20 2473 1 1 5 ARG HG3 H -3.695 5.043 -1.028 1.00 . A A . 5 ARG HG3 1 1 20 2474 1 1 5 ARG HH11 H 0.199 4.974 0.362 1.00 . A A . 5 ARG HH11 1 1 20 2475 1 1 5 ARG HH12 H 1.600 5.805 -0.226 1.00 . A A . 5 ARG HH12 1 1 20 2476 1 1 5 ARG HH21 H 0.548 5.838 -3.559 1.00 . A A . 5 ARG HH21 1 1 20 2477 1 1 5 ARG HH22 H 1.797 6.298 -2.451 1.00 . A A . 5 ARG HH22 1 1 20 2478 1 1 5 ARG N N -2.506 1.257 -1.371 1.00 . A A . 5 ARG N 1 1 20 2479 1 1 5 ARG NE N -0.955 4.759 -1.868 1.00 . A A . 5 ARG NE 1 1 20 2480 1 1 5 ARG NH1 N 0.713 5.374 -0.397 1.00 . A A . 5 ARG NH1 1 1 20 2481 1 1 5 ARG NH2 N 0.912 5.867 -2.629 1.00 . A A . 5 ARG NH2 1 1 20 2482 1 1 5 ARG O O -5.748 2.322 -2.496 1.00 . A A . 5 ARG O 1 1 20 2483 1 1 6 HIS C C -6.270 0.586 -4.650 1.00 . A A . 6 HIS C 1 1 20 2484 1 1 6 HIS CA C -4.821 1.048 -4.775 1.00 . A A . 6 HIS CA 1 1 20 2485 1 1 6 HIS CB C -4.065 0.137 -5.744 1.00 . A A . 6 HIS CB 1 1 20 2486 1 1 6 HIS CD2 C -3.927 -1.851 -4.084 1.00 . A A . 6 HIS CD2 1 1 20 2487 1 1 6 HIS CE1 C -4.064 -3.490 -5.534 1.00 . A A . 6 HIS CE1 1 1 20 2488 1 1 6 HIS CG C -4.034 -1.297 -5.315 1.00 . A A . 6 HIS CG 1 1 20 2489 1 1 6 HIS H H -3.308 0.593 -3.368 1.00 . A A . 6 HIS H 1 1 20 2490 1 1 6 HIS HA H -4.809 2.057 -5.161 1.00 . A A . 6 HIS HA 1 1 20 2491 1 1 6 HIS HB2 H -4.540 0.182 -6.716 1.00 . A A . 6 HIS HB2 1 1 20 2492 1 1 6 HIS HB3 H -3.040 0.483 -5.827 1.00 . A A . 6 HIS HB3 1 1 20 2493 1 1 6 HIS HD1 H -4.203 -2.274 -7.174 1.00 . A A . 6 HIS HD1 1 1 20 2494 1 1 6 HIS HD2 H -3.841 -1.319 -3.147 1.00 . A A . 6 HIS HD2 1 1 20 2495 1 1 6 HIS HE1 H -4.106 -4.478 -5.967 1.00 . A A . 6 HIS HE1 1 1 20 2496 1 1 6 HIS HE2 H -3.800 -3.875 -3.540 1.00 . A A . 6 HIS HE2 1 1 20 2497 1 1 6 HIS N N -4.160 1.064 -3.475 1.00 . A A . 6 HIS N 1 1 20 2498 1 1 6 HIS ND1 N -4.117 -2.351 -6.201 1.00 . A A . 6 HIS ND1 1 1 20 2499 1 1 6 HIS NE2 N -3.948 -3.214 -4.248 1.00 . A A . 6 HIS NE2 1 1 20 2500 1 1 6 HIS O O -7.003 0.657 -5.659 1.00 . A A . 6 HIS O 1 1 stop_ save_
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