NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
655404 | 6tvj | 34474 | cing | 4-filtered-FRED | STAR | entry | full | 11 |
data_FRED_restraints_with_modified_coordinates_PDB_code_6tvj # This FRED archive file contains, for PDB entry <6tvj>: # # - 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_6tvj _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 6tvj _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "not present" _Assembly.Molecular_mass 1325.49 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 $PD_i3_peptide A . 1 1 stop_ save_ save_PD_i3_peptide _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name "PD i3 peptide" _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code LXXRYXDTMY _Entity.Number_of_monomers 10 loop_ _Entity_comp_index.ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 LEU . 1 1 2 . $. 1 1 3 . $. 1 1 4 ARG . 1 1 5 TYR . 1 1 6 DPR $DPR 1 1 7 ASP . 1 1 8 THR . 1 1 9 MET . 1 1 10 TYR . 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 LEU 1 1 1 1 . 2 2 1 1 . 3 3 1 1 ARG 4 4 1 1 TYR 5 5 1 1 DPR 6 6 1 1 ASP 7 7 1 1 THR 8 8 1 1 MET 9 9 1 1 TYR 10 10 1 1 stop_ save_ save_DPR _Chem_comp.Sf_category chem_comp _Chem_comp.Entry_ID 1 _Chem_comp.ID DPR _Chem_comp.Type non-polymer save_ save_. _Chem_comp.Sf_category chem_comp _Chem_comp.Entry_ID 1 _Chem_comp.ID . _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 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 1 1 5 TYR H . 5 . HN 1 1 1 1 2 1 1 7 ASP H . 7 . HN 1 1 2 1 1 1 1 5 TYR QD . 5 . HD+ 1 1 2 1 2 1 1 6 DPR HA . 6 . HA 1 1 3 1 1 1 1 5 TYR QD . 5 . HD+ 1 1 3 1 2 1 1 8 THR HB . 8 . HB 1 1 4 1 1 1 1 7 ASP H . 7 . HN 1 1 4 1 2 1 1 9 MET H . 9 . HN 1 1 5 1 1 1 1 7 ASP HA . 7 . HA 1 1 5 1 2 1 1 10 TYR QD . 10 . HD+ 1 1 6 1 1 1 1 7 ASP QB . 7 . HB+ 1 1 6 1 2 1 1 8 THR H . 8 . HN 1 1 7 1 1 1 1 8 THR H . 8 . HN 1 1 7 1 2 1 1 10 TYR H . 10 . HN 1 1 8 1 1 1 1 8 THR HB . 8 . HB 1 1 8 1 2 1 1 10 TYR H . 10 . HN 1 1 9 1 1 1 1 8 THR HG1 . 8 . HG+ 1 1 9 1 1 1 1 8 THR MG . 8 . HG+ 1 1 9 1 2 1 1 9 MET H . 9 . HN 1 1 10 1 1 1 1 9 MET QB . 9 . HB+ 1 1 10 1 2 1 1 10 TYR H . 10 . HN 1 1 11 1 1 1 1 9 MET QB . 9 . HB+ 1 1 11 1 2 1 1 10 TYR QD . 10 . HD+ 1 1 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 4.0 1.8 6.0 1 1 2 1 . . . . . 3.0 1.8 4.5 1 1 3 1 . . . . . 4.0 1.8 6.0 1 1 4 1 . . . . . 4.0 1.8 6.0 1 1 5 1 . . . . . 3.0 1.8 5.0 1 1 6 1 . . . . . 2.5 1.8 4.5 1 1 7 1 . . . . . 3.0 1.8 5.0 1 1 8 1 . . . . . 4.0 1.8 6.0 1 1 9 1 . . . . . 3.0 1.8 5.0 1 1 10 1 . . . . . 3.0 1.8 5.0 1 1 11 1 . . . . . 3.0 1.8 5.0 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 LEU C C 4.894 4.939 0.485 1.00 . A A . 1 LEU C 1 1 1 2 1 1 1 LEU CA C 5.255 5.303 1.922 1.00 . A A . 1 LEU CA 1 1 1 3 1 1 1 LEU CB C 6.684 5.849 1.968 1.00 . A A . 1 LEU CB 1 1 1 4 1 1 1 LEU CD1 C 8.113 7.701 2.845 1.00 . A A . 1 LEU CD1 1 1 1 5 1 1 1 LEU CD2 C 6.015 8.226 1.596 1.00 . A A . 1 LEU CD2 1 1 1 6 1 1 1 LEU CG C 6.676 7.253 2.575 1.00 . A A . 1 LEU CG 1 1 1 7 1 1 1 LEU H1 H 4.840 3.284 2.417 1.00 . A A . 1 LEU H1 1 1 1 8 1 1 1 LEU HA H 4.579 6.069 2.270 1.00 . A A . 1 LEU HA 1 1 1 9 1 1 1 LEU HB2 H 7.299 5.198 2.572 1.00 . A A . 1 LEU HB2 1 1 1 10 1 1 1 LEU HB3 H 7.084 5.895 0.966 1.00 . A A . 1 LEU HB3 1 1 1 11 1 1 1 LEU HD11 H 8.515 7.140 3.676 1.00 . A A . 1 LEU HD11 1 1 1 12 1 1 1 LEU HD12 H 8.123 8.754 3.084 1.00 . A A . 1 LEU HD12 1 1 1 13 1 1 1 LEU HD13 H 8.716 7.526 1.967 1.00 . A A . 1 LEU HD13 1 1 1 14 1 1 1 LEU HD21 H 4.959 8.010 1.531 1.00 . A A . 1 LEU HD21 1 1 1 15 1 1 1 LEU HD22 H 6.466 8.118 0.621 1.00 . A A . 1 LEU HD22 1 1 1 16 1 1 1 LEU HD23 H 6.154 9.239 1.946 1.00 . A A . 1 LEU HD23 1 1 1 17 1 1 1 LEU HG H 6.122 7.241 3.503 1.00 . A A . 1 LEU HG 1 1 1 18 1 1 1 LEU N N 5.138 4.138 2.793 1.00 . A A . 1 LEU N 1 1 1 19 1 1 1 LEU O O 5.135 3.818 0.039 1.00 . A A . 1 LEU O 1 1 1 20 1 1 2 . C C 3.082 4.400 -1.740 1.00 . A A . 2 DGL C 1 1 1 21 1 1 2 . CA C 3.923 5.668 -1.622 1.00 . A A . 2 DGL CA 1 1 1 22 1 1 2 . CB C 3.124 6.868 -2.140 1.00 . A A . 2 DGL CB 1 1 1 23 1 1 2 . CD C 1.879 7.803 -4.099 1.00 . A A . 2 DGL CD 1 1 1 24 1 1 2 . CG C 2.689 6.617 -3.587 1.00 . A A . 2 DGL CG 1 1 1 25 1 1 2 . H H 4.147 6.771 0.175 1.00 . A A . 2 DGL H 1 1 1 26 1 1 2 . HA H 4.812 5.556 -2.223 1.00 . A A . 2 DGL HA 1 1 1 27 1 1 2 . HB2 H 2.251 7.012 -1.521 1.00 . A A . 2 DGL HB2 1 1 1 28 1 1 2 . HB3 H 3.741 7.754 -2.101 1.00 . A A . 2 DGL HB3 1 1 1 29 1 1 2 . HG2 H 3.564 6.485 -4.206 1.00 . A A . 2 DGL HG2 1 1 1 30 1 1 2 . HG3 H 2.081 5.726 -3.631 1.00 . A A . 2 DGL HG3 1 1 1 31 1 1 2 . N N 4.314 5.896 -0.234 1.00 . A A . 2 DGL N 1 1 1 32 1 1 2 . O O 3.043 3.766 -2.794 1.00 . A A . 2 DGL O 1 1 1 33 1 1 2 . OE1 O 1.456 7.757 -5.243 1.00 . A A . 2 DGL OE1 1 1 1 34 1 1 2 . OE2 O 1.693 8.740 -3.340 1.00 . A A . 2 DGL OE2 1 1 1 35 1 1 3 . C C 1.599 2.196 0.737 1.00 . A A . 3 DAR C 1 1 1 36 1 1 3 . CA C 1.575 2.843 -0.644 1.00 . A A . 3 DAR CA 1 1 1 37 1 1 3 . CB C 0.138 3.214 -1.017 1.00 . A A . 3 DAR CB 1 1 1 38 1 1 3 . CD C -0.761 0.992 -1.733 1.00 . A A . 3 DAR CD 1 1 1 39 1 1 3 . CG C -0.317 2.374 -2.213 1.00 . A A . 3 DAR CG 1 1 1 40 1 1 3 . CZ C -2.668 0.009 -0.568 1.00 . A A . 3 DAR CZ 1 1 1 41 1 1 3 . H H 2.481 4.581 0.160 1.00 . A A . 3 DAR H 1 1 1 42 1 1 3 . HA H 1.956 2.140 -1.370 1.00 . A A . 3 DAR HA 1 1 1 43 1 1 3 . HB2 H -0.513 3.025 -0.175 1.00 . A A . 3 DAR HB2 1 1 1 44 1 1 3 . HB3 H 0.093 4.261 -1.278 1.00 . A A . 3 DAR HB3 1 1 1 45 1 1 3 . HD2 H -0.786 0.313 -2.571 1.00 . A A . 3 DAR HD2 1 1 1 46 1 1 3 . HD3 H -0.058 0.626 -0.999 1.00 . A A . 3 DAR HD3 1 1 1 47 1 1 3 . HE H -2.573 1.922 -1.155 1.00 . A A . 3 DAR HE 1 1 1 48 1 1 3 . HG2 H -1.142 2.867 -2.705 1.00 . A A . 3 DAR HG2 1 1 1 49 1 1 3 . HG3 H 0.503 2.265 -2.907 1.00 . A A . 3 DAR HG3 1 1 1 50 1 1 3 . HH11 H -4.333 1.005 -0.075 1.00 . A A . 3 DAR HH11 1 1 1 51 1 1 3 . HH12 H -4.296 -0.666 0.382 1.00 . A A . 3 DAR HH12 1 1 1 52 1 1 3 . HH21 H -1.142 -1.250 -0.921 1.00 . A A . 3 DAR HH21 1 1 1 53 1 1 3 . HH22 H -2.500 -1.932 -0.096 1.00 . A A . 3 DAR HH22 1 1 1 54 1 1 3 . N N 2.412 4.037 -0.652 1.00 . A A . 3 DAR N 1 1 1 55 1 1 3 . NE N -2.091 1.069 -1.137 1.00 . A A . 3 DAR NE 1 1 1 56 1 1 3 . NH1 N -3.858 0.125 -0.046 1.00 . A A . 3 DAR NH1 1 1 1 57 1 1 3 . NH2 N -2.054 -1.147 -0.526 1.00 . A A . 3 DAR NH2 1 1 1 58 1 1 3 . O O 1.603 2.888 1.755 1.00 . A A . 3 DAR O 1 1 1 59 1 1 4 ARG C C 2.791 -0.874 2.041 1.00 . A A . 4 ARG C 1 1 1 60 1 1 4 ARG CA C 1.659 0.149 2.037 1.00 . A A . 4 ARG CA 1 1 1 61 1 1 4 ARG CB C 0.326 -0.562 2.277 1.00 . A A . 4 ARG CB 1 1 1 62 1 1 4 ARG CD C -2.109 -0.233 2.733 1.00 . A A . 4 ARG CD 1 1 1 63 1 1 4 ARG CG C -0.778 0.478 2.485 1.00 . A A . 4 ARG CG 1 1 1 64 1 1 4 ARG CZ C -4.435 0.372 3.163 1.00 . A A . 4 ARG CZ 1 1 1 65 1 1 4 ARG H H 1.627 0.364 -0.072 1.00 . A A . 4 ARG H 1 1 1 66 1 1 4 ARG HA H 1.825 0.857 2.835 1.00 . A A . 4 ARG HA 1 1 1 67 1 1 4 ARG HB2 H 0.086 -1.176 1.421 1.00 . A A . 4 ARG HB2 1 1 1 68 1 1 4 ARG HB3 H 0.402 -1.183 3.156 1.00 . A A . 4 ARG HB3 1 1 1 69 1 1 4 ARG HD2 H -2.343 -0.860 1.887 1.00 . A A . 4 ARG HD2 1 1 1 70 1 1 4 ARG HD3 H -2.025 -0.847 3.619 1.00 . A A . 4 ARG HD3 1 1 1 71 1 1 4 ARG HE H -2.964 1.699 2.863 1.00 . A A . 4 ARG HE 1 1 1 72 1 1 4 ARG HG2 H -0.534 1.096 3.337 1.00 . A A . 4 ARG HG2 1 1 1 73 1 1 4 ARG HG3 H -0.861 1.096 1.603 1.00 . A A . 4 ARG HG3 1 1 1 74 1 1 4 ARG HH11 H -4.060 -1.601 3.125 1.00 . A A . 4 ARG HH11 1 1 1 75 1 1 4 ARG HH12 H -5.703 -1.156 3.428 1.00 . A A . 4 ARG HH12 1 1 1 76 1 1 4 ARG HH21 H -5.119 2.251 3.261 1.00 . A A . 4 ARG HH21 1 1 1 77 1 1 4 ARG HH22 H -6.302 1.010 3.505 1.00 . A A . 4 ARG HH22 1 1 1 78 1 1 4 ARG N N 1.624 0.867 0.769 1.00 . A A . 4 ARG N 1 1 1 79 1 1 4 ARG NE N -3.177 0.744 2.919 1.00 . A A . 4 ARG NE 1 1 1 80 1 1 4 ARG NH1 N -4.756 -0.895 3.245 1.00 . A A . 4 ARG NH1 1 1 1 81 1 1 4 ARG NH2 N -5.357 1.282 3.322 1.00 . A A . 4 ARG NH2 1 1 1 82 1 1 4 ARG O O 2.956 -1.636 1.089 1.00 . A A . 4 ARG O 1 1 1 83 1 1 5 TYR C C 4.842 -2.253 4.698 1.00 . A A . 5 TYR C 1 1 1 84 1 1 5 TYR CA C 4.677 -1.819 3.245 1.00 . A A . 5 TYR CA 1 1 1 85 1 1 5 TYR CB C 5.968 -1.161 2.755 1.00 . A A . 5 TYR CB 1 1 1 86 1 1 5 TYR CD1 C 7.173 -2.947 1.447 1.00 . A A . 5 TYR CD1 1 1 1 87 1 1 5 TYR CD2 C 7.931 -2.437 3.693 1.00 . A A . 5 TYR CD2 1 1 1 88 1 1 5 TYR CE1 C 8.176 -3.917 1.328 1.00 . A A . 5 TYR CE1 1 1 1 89 1 1 5 TYR CE2 C 8.934 -3.407 3.574 1.00 . A A . 5 TYR CE2 1 1 1 90 1 1 5 TYR CG C 7.050 -2.207 2.629 1.00 . A A . 5 TYR CG 1 1 1 91 1 1 5 TYR CZ C 9.056 -4.146 2.392 1.00 . A A . 5 TYR CZ 1 1 1 92 1 1 5 TYR H H 3.382 -0.255 3.849 1.00 . A A . 5 TYR H 1 1 1 93 1 1 5 TYR HA H 4.477 -2.688 2.636 1.00 . A A . 5 TYR HA 1 1 1 94 1 1 5 TYR HB2 H 5.796 -0.702 1.793 1.00 . A A . 5 TYR HB2 1 1 1 95 1 1 5 TYR HB3 H 6.279 -0.407 3.463 1.00 . A A . 5 TYR HB3 1 1 1 96 1 1 5 TYR HD1 H 6.493 -2.770 0.626 1.00 . A A . 5 TYR HD1 1 1 1 97 1 1 5 TYR HD2 H 7.837 -1.866 4.605 1.00 . A A . 5 TYR HD2 1 1 1 98 1 1 5 TYR HE1 H 8.270 -4.487 0.416 1.00 . A A . 5 TYR HE1 1 1 1 99 1 1 5 TYR HE2 H 9.613 -3.584 4.395 1.00 . A A . 5 TYR HE2 1 1 1 100 1 1 5 TYR HH H 10.520 -4.939 1.457 1.00 . A A . 5 TYR HH 1 1 1 101 1 1 5 TYR N N 3.564 -0.885 3.120 1.00 . A A . 5 TYR N 1 1 1 102 1 1 5 TYR O O 5.754 -1.799 5.390 1.00 . A A . 5 TYR O 1 1 1 103 1 1 5 TYR OH O 10.044 -5.102 2.275 1.00 . A A . 5 TYR OH 1 1 1 104 1 1 6 DPR C C 4.222 -2.461 7.570 1.00 . A A . 6 DPR C 1 1 1 105 1 1 6 DPR CA C 4.027 -3.604 6.576 1.00 . A A . 6 DPR CA 1 1 1 106 1 1 6 DPR CB C 2.667 -4.275 6.773 1.00 . A A . 6 DPR CB 1 1 1 107 1 1 6 DPR CD C 2.859 -3.700 4.420 1.00 . A A . 6 DPR CD 1 1 1 108 1 1 6 DPR CG C 2.221 -4.680 5.407 1.00 . A A . 6 DPR CG 1 1 1 109 1 1 6 DPR HA H 4.811 -4.335 6.688 1.00 . A A . 6 DPR HA 1 1 1 110 1 1 6 DPR HB2 H 2.769 -5.143 7.410 1.00 . A A . 6 DPR HB2 1 1 1 111 1 1 6 DPR HB3 H 1.963 -3.577 7.199 1.00 . A A . 6 DPR HB3 1 1 1 112 1 1 6 DPR HD2 H 3.221 -4.225 3.547 1.00 . A A . 6 DPR HD2 1 1 1 113 1 1 6 DPR HD3 H 2.155 -2.933 4.138 1.00 . A A . 6 DPR HD3 1 1 1 114 1 1 6 DPR HG2 H 2.550 -5.689 5.196 1.00 . A A . 6 DPR HG2 1 1 1 115 1 1 6 DPR HG3 H 1.146 -4.618 5.335 1.00 . A A . 6 DPR HG3 1 1 1 116 1 1 6 DPR N N 3.978 -3.110 5.172 1.00 . A A . 6 DPR N 1 1 1 117 1 1 6 DPR O O 3.349 -1.607 7.725 1.00 . A A . 6 DPR O 1 1 1 118 1 1 7 ASP C C 7.169 -1.149 9.286 1.00 . A A . 7 ASP C 1 1 1 119 1 1 7 ASP CA C 5.666 -1.397 9.203 1.00 . A A . 7 ASP CA 1 1 1 120 1 1 7 ASP CB C 5.134 -1.795 10.581 1.00 . A A . 7 ASP CB 1 1 1 121 1 1 7 ASP CG C 5.189 -0.600 11.528 1.00 . A A . 7 ASP CG 1 1 1 122 1 1 7 ASP H H 6.035 -3.149 8.069 1.00 . A A . 7 ASP H 1 1 1 123 1 1 7 ASP HA H 5.177 -0.486 8.891 1.00 . A A . 7 ASP HA 1 1 1 124 1 1 7 ASP HB2 H 4.111 -2.130 10.487 1.00 . A A . 7 ASP HB2 1 1 1 125 1 1 7 ASP HB3 H 5.738 -2.595 10.981 1.00 . A A . 7 ASP HB3 1 1 1 126 1 1 7 ASP N N 5.373 -2.447 8.234 1.00 . A A . 7 ASP N 1 1 1 127 1 1 7 ASP O O 7.719 -0.973 10.373 1.00 . A A . 7 ASP O 1 1 1 128 1 1 7 ASP OD1 O 5.769 0.405 11.152 1.00 . A A . 7 ASP OD1 1 1 1 129 1 1 7 ASP OD2 O 4.649 -0.708 12.617 1.00 . A A . 7 ASP OD2 1 1 1 130 1 1 8 THR C C 9.597 0.372 7.323 1.00 . A A . 8 THR C 1 1 1 131 1 1 8 THR CA C 9.269 -0.908 8.090 1.00 . A A . 8 THR CA 1 1 1 132 1 1 8 THR CB C 9.967 -2.095 7.423 1.00 . A A . 8 THR CB 1 1 1 133 1 1 8 THR CG2 C 9.666 -3.373 8.208 1.00 . A A . 8 THR CG2 1 1 1 134 1 1 8 THR H H 7.340 -1.283 7.295 1.00 . A A . 8 THR H 1 1 1 135 1 1 8 THR HA H 9.637 -0.813 9.100 1.00 . A A . 8 THR HA 1 1 1 136 1 1 8 THR HB H 11.033 -1.927 7.412 1.00 . A A . 8 THR HB 1 1 1 137 1 1 8 THR HG1 H 9.566 -1.377 5.661 1.00 . A A . 8 THR HG1 1 1 1 138 1 1 8 THR HG21 H 9.974 -3.245 9.235 1.00 . A A . 8 THR HG21 1 1 1 139 1 1 8 THR HG22 H 10.206 -4.200 7.770 1.00 . A A . 8 THR HG22 1 1 1 140 1 1 8 THR HG23 H 8.606 -3.576 8.172 1.00 . A A . 8 THR HG23 1 1 1 141 1 1 8 THR N N 7.829 -1.137 8.131 1.00 . A A . 8 THR N 1 1 1 142 1 1 8 THR O O 10.683 0.933 7.475 1.00 . A A . 8 THR O 1 1 1 143 1 1 8 THR OG1 O 9.493 -2.232 6.091 1.00 . A A . 8 THR OG1 1 1 1 144 1 1 9 MET C C 7.583 2.858 5.624 1.00 . A A . 9 MET C 1 1 1 145 1 1 9 MET CA C 8.871 2.045 5.719 1.00 . A A . 9 MET CA 1 1 1 146 1 1 9 MET CB C 9.351 1.682 4.312 1.00 . A A . 9 MET CB 1 1 1 147 1 1 9 MET CE C 12.348 2.774 3.732 1.00 . A A . 9 MET CE 1 1 1 148 1 1 9 MET CG C 9.647 2.957 3.517 1.00 . A A . 9 MET CG 1 1 1 149 1 1 9 MET H H 7.811 0.347 6.414 1.00 . A A . 9 MET H 1 1 1 150 1 1 9 MET HA H 9.627 2.643 6.204 1.00 . A A . 9 MET HA 1 1 1 151 1 1 9 MET HB2 H 10.249 1.085 4.382 1.00 . A A . 9 MET HB2 1 1 1 152 1 1 9 MET HB3 H 8.583 1.116 3.806 1.00 . A A . 9 MET HB3 1 1 1 153 1 1 9 MET HE1 H 12.154 2.462 2.715 1.00 . A A . 9 MET HE1 1 1 1 154 1 1 9 MET HE2 H 12.401 1.906 4.368 1.00 . A A . 9 MET HE2 1 1 1 155 1 1 9 MET HE3 H 13.287 3.308 3.777 1.00 . A A . 9 MET HE3 1 1 1 156 1 1 9 MET HG2 H 9.920 2.695 2.506 1.00 . A A . 9 MET HG2 1 1 1 157 1 1 9 MET HG3 H 8.767 3.583 3.501 1.00 . A A . 9 MET HG3 1 1 1 158 1 1 9 MET N N 8.658 0.831 6.499 1.00 . A A . 9 MET N 1 1 1 159 1 1 9 MET O O 7.528 4.006 6.065 1.00 . A A . 9 MET O 1 1 1 160 1 1 9 MET SD S 11.013 3.858 4.294 1.00 . A A . 9 MET SD 1 1 1 161 1 1 10 TYR C C 5.430 4.215 4.089 1.00 . A A . 10 TYR C 1 1 1 162 1 1 10 TYR CA C 5.268 2.928 4.893 1.00 . A A . 10 TYR CA 1 1 1 163 1 1 10 TYR CB C 4.684 3.254 6.270 1.00 . A A . 10 TYR CB 1 1 1 164 1 1 10 TYR CD1 C 2.191 3.581 6.444 1.00 . A A . 10 TYR CD1 1 1 1 165 1 1 10 TYR CD2 C 3.070 1.322 6.366 1.00 . A A . 10 TYR CD2 1 1 1 166 1 1 10 TYR CE1 C 0.890 3.072 6.530 1.00 . A A . 10 TYR CE1 1 1 1 167 1 1 10 TYR CE2 C 1.768 0.813 6.452 1.00 . A A . 10 TYR CE2 1 1 1 168 1 1 10 TYR CG C 3.281 2.706 6.362 1.00 . A A . 10 TYR CG 1 1 1 169 1 1 10 TYR CZ C 0.678 1.688 6.534 1.00 . A A . 10 TYR CZ 1 1 1 170 1 1 10 TYR H H 6.656 1.338 4.711 1.00 . A A . 10 TYR H 1 1 1 171 1 1 10 TYR HA H 4.586 2.273 4.373 1.00 . A A . 10 TYR HA 1 1 1 172 1 1 10 TYR HB2 H 5.299 2.804 7.036 1.00 . A A . 10 TYR HB2 1 1 1 173 1 1 10 TYR HB3 H 4.662 4.324 6.408 1.00 . A A . 10 TYR HB3 1 1 1 174 1 1 10 TYR HD1 H 2.355 4.648 6.441 1.00 . A A . 10 TYR HD1 1 1 1 175 1 1 10 TYR HD2 H 3.911 0.647 6.303 1.00 . A A . 10 TYR HD2 1 1 1 176 1 1 10 TYR HE1 H 0.049 3.747 6.593 1.00 . A A . 10 TYR HE1 1 1 1 177 1 1 10 TYR HE2 H 1.605 -0.255 6.455 1.00 . A A . 10 TYR HE2 1 1 1 178 1 1 10 TYR HH H -0.941 1.379 7.496 1.00 . A A . 10 TYR HH 1 1 1 179 1 1 10 TYR N N 6.552 2.253 5.044 1.00 . A A . 10 TYR N 1 1 1 180 1 1 10 TYR O O 5.810 5.252 4.630 1.00 . A A . 10 TYR O 1 1 1 181 1 1 10 TYR OH O -0.604 1.186 6.618 1.00 . A A . 10 TYR OH 1 1 2 182 1 1 1 LEU C C 4.545 5.127 1.578 1.00 . A A . 1 LEU C 1 1 2 183 1 1 1 LEU CA C 3.976 5.714 2.866 1.00 . A A . 1 LEU CA 1 1 2 184 1 1 1 LEU CB C 4.534 7.123 3.075 1.00 . A A . 1 LEU CB 1 1 2 185 1 1 1 LEU CD1 C 2.511 7.903 4.317 1.00 . A A . 1 LEU CD1 1 1 2 186 1 1 1 LEU CD2 C 3.955 9.552 3.120 1.00 . A A . 1 LEU CD2 1 1 2 187 1 1 1 LEU CG C 3.386 8.133 3.083 1.00 . A A . 1 LEU CG 1 1 2 188 1 1 1 LEU H1 H 3.592 4.409 4.493 1.00 . A A . 1 LEU H1 1 1 2 189 1 1 1 LEU HA H 2.902 5.775 2.779 1.00 . A A . 1 LEU HA 1 1 2 190 1 1 1 LEU HB2 H 5.060 7.167 4.019 1.00 . A A . 1 LEU HB2 1 1 2 191 1 1 1 LEU HB3 H 5.216 7.363 2.273 1.00 . A A . 1 LEU HB3 1 1 2 192 1 1 1 LEU HD11 H 3.139 7.815 5.192 1.00 . A A . 1 LEU HD11 1 1 2 193 1 1 1 LEU HD12 H 1.940 6.996 4.192 1.00 . A A . 1 LEU HD12 1 1 2 194 1 1 1 LEU HD13 H 1.838 8.738 4.442 1.00 . A A . 1 LEU HD13 1 1 2 195 1 1 1 LEU HD21 H 4.731 9.648 2.374 1.00 . A A . 1 LEU HD21 1 1 2 196 1 1 1 LEU HD22 H 4.371 9.748 4.097 1.00 . A A . 1 LEU HD22 1 1 2 197 1 1 1 LEU HD23 H 3.168 10.262 2.914 1.00 . A A . 1 LEU HD23 1 1 2 198 1 1 1 LEU HG H 2.788 8.005 2.192 1.00 . A A . 1 LEU HG 1 1 2 199 1 1 1 LEU N N 4.310 4.870 4.010 1.00 . A A . 1 LEU N 1 1 2 200 1 1 1 LEU O O 5.223 4.099 1.596 1.00 . A A . 1 LEU O 1 1 2 201 1 1 2 . C C 4.307 3.889 -1.099 1.00 . A A . 2 DGL C 1 1 2 202 1 1 2 . CA C 4.743 5.329 -0.838 1.00 . A A . 2 DGL CA 1 1 2 203 1 1 2 . CB C 4.213 6.241 -1.947 1.00 . A A . 2 DGL CB 1 1 2 204 1 1 2 . CD C 2.145 7.065 -3.091 1.00 . A A . 2 DGL CD 1 1 2 205 1 1 2 . CG C 2.696 6.076 -2.070 1.00 . A A . 2 DGL CG 1 1 2 206 1 1 2 . H H 3.714 6.601 0.509 1.00 . A A . 2 DGL H 1 1 2 207 1 1 2 . HA H 5.822 5.371 -0.841 1.00 . A A . 2 DGL HA 1 1 2 208 1 1 2 . HB2 H 4.445 7.268 -1.709 1.00 . A A . 2 DGL HB2 1 1 2 209 1 1 2 . HB3 H 4.678 5.974 -2.884 1.00 . A A . 2 DGL HB3 1 1 2 210 1 1 2 . HG2 H 2.470 5.069 -2.388 1.00 . A A . 2 DGL HG2 1 1 2 211 1 1 2 . HG3 H 2.236 6.260 -1.110 1.00 . A A . 2 DGL HG3 1 1 2 212 1 1 2 . N N 4.259 5.788 0.460 1.00 . A A . 2 DGL N 1 1 2 213 1 1 2 . O O 5.025 3.121 -1.738 1.00 . A A . 2 DGL O 1 1 2 214 1 1 2 . OE1 O 2.897 7.928 -3.516 1.00 . A A . 2 DGL OE1 1 1 2 215 1 1 2 . OE2 O 0.981 6.947 -3.432 1.00 . A A . 2 DGL OE2 1 1 2 216 1 1 3 . C C 2.281 1.544 0.549 1.00 . A A . 3 DAR C 1 1 2 217 1 1 3 . CA C 2.606 2.183 -0.799 1.00 . A A . 3 DAR CA 1 1 2 218 1 1 3 . CB C 1.343 2.235 -1.666 1.00 . A A . 3 DAR CB 1 1 2 219 1 1 3 . CD C 1.324 0.003 -2.802 1.00 . A A . 3 DAR CD 1 1 2 220 1 1 3 . CG C 1.593 1.498 -2.985 1.00 . A A . 3 DAR CG 1 1 2 221 1 1 3 . CZ C 2.496 -1.950 -1.922 1.00 . A A . 3 DAR CZ 1 1 2 222 1 1 3 . H H 2.594 4.187 -0.107 1.00 . A A . 3 DAR H 1 1 2 223 1 1 3 . HA H 3.351 1.587 -1.302 1.00 . A A . 3 DAR HA 1 1 2 224 1 1 3 . HB2 H 0.526 1.764 -1.138 1.00 . A A . 3 DAR HB2 1 1 2 225 1 1 3 . HB3 H 1.091 3.264 -1.873 1.00 . A A . 3 DAR HB3 1 1 2 226 1 1 3 . HD2 H 0.506 -0.132 -2.111 1.00 . A A . 3 DAR HD2 1 1 2 227 1 1 3 . HD3 H 1.060 -0.431 -3.756 1.00 . A A . 3 DAR HD3 1 1 2 228 1 1 3 . HE H 3.343 -0.153 -2.182 1.00 . A A . 3 DAR HE 1 1 2 229 1 1 3 . HG2 H 0.934 1.891 -3.745 1.00 . A A . 3 DAR HG2 1 1 2 230 1 1 3 . HG3 H 2.619 1.643 -3.289 1.00 . A A . 3 DAR HG3 1 1 2 231 1 1 3 . HH11 H 4.420 -1.965 -1.368 1.00 . A A . 3 DAR HH11 1 1 2 232 1 1 3 . HH12 H 3.576 -3.468 -1.189 1.00 . A A . 3 DAR HH12 1 1 2 233 1 1 3 . HH21 H 0.566 -2.251 -2.390 1.00 . A A . 3 DAR HH21 1 1 2 234 1 1 3 . HH22 H 1.409 -3.625 -1.765 1.00 . A A . 3 DAR HH22 1 1 2 235 1 1 3 . N N 3.125 3.533 -0.606 1.00 . A A . 3 DAR N 1 1 2 236 1 1 3 . NE N 2.512 -0.664 -2.276 1.00 . A A . 3 DAR NE 1 1 2 237 1 1 3 . NH1 N 3.582 -2.504 -1.457 1.00 . A A . 3 DAR NH1 1 1 2 238 1 1 3 . NH2 N 1.403 -2.663 -2.036 1.00 . A A . 3 DAR NH2 1 1 2 239 1 1 3 . O O 2.591 2.105 1.601 1.00 . A A . 3 DAR O 1 1 2 240 1 1 4 ARG C C 2.229 -1.531 1.956 1.00 . A A . 4 ARG C 1 1 2 241 1 1 4 ARG CA C 1.309 -0.333 1.743 1.00 . A A . 4 ARG CA 1 1 2 242 1 1 4 ARG CB C -0.144 -0.807 1.676 1.00 . A A . 4 ARG CB 1 1 2 243 1 1 4 ARG CD C -1.182 1.456 1.454 1.00 . A A . 4 ARG CD 1 1 2 244 1 1 4 ARG CG C -1.051 0.223 2.351 1.00 . A A . 4 ARG CG 1 1 2 245 1 1 4 ARG CZ C -2.074 1.997 -0.753 1.00 . A A . 4 ARG CZ 1 1 2 246 1 1 4 ARG H H 1.441 -0.035 -0.349 1.00 . A A . 4 ARG H 1 1 2 247 1 1 4 ARG HA H 1.416 0.345 2.577 1.00 . A A . 4 ARG HA 1 1 2 248 1 1 4 ARG HB2 H -0.436 -0.924 0.642 1.00 . A A . 4 ARG HB2 1 1 2 249 1 1 4 ARG HB3 H -0.237 -1.754 2.186 1.00 . A A . 4 ARG HB3 1 1 2 250 1 1 4 ARG HD2 H -1.704 2.234 1.990 1.00 . A A . 4 ARG HD2 1 1 2 251 1 1 4 ARG HD3 H -0.197 1.808 1.185 1.00 . A A . 4 ARG HD3 1 1 2 252 1 1 4 ARG HE H -2.328 0.233 0.160 1.00 . A A . 4 ARG HE 1 1 2 253 1 1 4 ARG HG2 H -2.028 -0.209 2.515 1.00 . A A . 4 ARG HG2 1 1 2 254 1 1 4 ARG HG3 H -0.623 0.514 3.298 1.00 . A A . 4 ARG HG3 1 1 2 255 1 1 4 ARG HH11 H -1.033 3.471 0.132 1.00 . A A . 4 ARG HH11 1 1 2 256 1 1 4 ARG HH12 H -1.671 3.839 -1.432 1.00 . A A . 4 ARG HH12 1 1 2 257 1 1 4 ARG HH21 H -3.149 0.742 -1.882 1.00 . A A . 4 ARG HH21 1 1 2 258 1 1 4 ARG HH22 H -2.862 2.306 -2.567 1.00 . A A . 4 ARG HH22 1 1 2 259 1 1 4 ARG N N 1.662 0.369 0.514 1.00 . A A . 4 ARG N 1 1 2 260 1 1 4 ARG NE N -1.927 1.122 0.243 1.00 . A A . 4 ARG NE 1 1 2 261 1 1 4 ARG NH1 N -1.551 3.196 -0.677 1.00 . A A . 4 ARG NH1 1 1 2 262 1 1 4 ARG NH2 N -2.747 1.655 -1.817 1.00 . A A . 4 ARG NH2 1 1 2 263 1 1 4 ARG O O 2.021 -2.597 1.378 1.00 . A A . 4 ARG O 1 1 2 264 1 1 5 TYR C C 4.436 -2.528 4.581 1.00 . A A . 5 TYR C 1 1 2 265 1 1 5 TYR CA C 4.194 -2.417 3.076 1.00 . A A . 5 TYR CA 1 1 2 266 1 1 5 TYR CB C 5.520 -2.138 2.365 1.00 . A A . 5 TYR CB 1 1 2 267 1 1 5 TYR CD1 C 6.325 -4.380 1.541 1.00 . A A . 5 TYR CD1 1 1 2 268 1 1 5 TYR CD2 C 7.350 -3.428 3.522 1.00 . A A . 5 TYR CD2 1 1 2 269 1 1 5 TYR CE1 C 7.160 -5.499 1.647 1.00 . A A . 5 TYR CE1 1 1 2 270 1 1 5 TYR CE2 C 8.186 -4.547 3.628 1.00 . A A . 5 TYR CE2 1 1 2 271 1 1 5 TYR CG C 6.420 -3.345 2.479 1.00 . A A . 5 TYR CG 1 1 2 272 1 1 5 TYR CZ C 8.091 -5.583 2.690 1.00 . A A . 5 TYR CZ 1 1 2 273 1 1 5 TYR H H 3.361 -0.475 3.223 1.00 . A A . 5 TYR H 1 1 2 274 1 1 5 TYR HA H 3.795 -3.351 2.709 1.00 . A A . 5 TYR HA 1 1 2 275 1 1 5 TYR HB2 H 5.331 -1.927 1.322 1.00 . A A . 5 TYR HB2 1 1 2 276 1 1 5 TYR HB3 H 6.001 -1.286 2.822 1.00 . A A . 5 TYR HB3 1 1 2 277 1 1 5 TYR HD1 H 5.608 -4.316 0.737 1.00 . A A . 5 TYR HD1 1 1 2 278 1 1 5 TYR HD2 H 7.424 -2.630 4.245 1.00 . A A . 5 TYR HD2 1 1 2 279 1 1 5 TYR HE1 H 7.087 -6.298 0.924 1.00 . A A . 5 TYR HE1 1 1 2 280 1 1 5 TYR HE2 H 8.903 -4.611 4.432 1.00 . A A . 5 TYR HE2 1 1 2 281 1 1 5 TYR HH H 8.358 -7.466 2.857 1.00 . A A . 5 TYR HH 1 1 2 282 1 1 5 TYR N N 3.246 -1.346 2.791 1.00 . A A . 5 TYR N 1 1 2 283 1 1 5 TYR O O 5.447 -2.042 5.090 1.00 . A A . 5 TYR O 1 1 2 284 1 1 5 TYR OH O 8.914 -6.685 2.795 1.00 . A A . 5 TYR OH 1 1 2 285 1 1 6 DPR C C 4.065 -2.013 7.461 1.00 . A A . 6 DPR C 1 1 2 286 1 1 6 DPR CA C 3.658 -3.313 6.773 1.00 . A A . 6 DPR CA 1 1 2 287 1 1 6 DPR CB C 2.259 -3.750 7.209 1.00 . A A . 6 DPR CB 1 1 2 288 1 1 6 DPR CD C 2.294 -3.753 4.781 1.00 . A A . 6 DPR CD 1 1 2 289 1 1 6 DPR CG C 1.653 -4.401 6.010 1.00 . A A . 6 DPR CG 1 1 2 290 1 1 6 DPR HA H 4.366 -4.093 7.002 1.00 . A A . 6 DPR HA 1 1 2 291 1 1 6 DPR HB2 H 2.326 -4.453 8.027 1.00 . A A . 6 DPR HB2 1 1 2 292 1 1 6 DPR HB3 H 1.672 -2.892 7.498 1.00 . A A . 6 DPR HB3 1 1 2 293 1 1 6 DPR HD2 H 2.519 -4.501 4.033 1.00 . A A . 6 DPR HD2 1 1 2 294 1 1 6 DPR HD3 H 1.649 -2.991 4.374 1.00 . A A . 6 DPR HD3 1 1 2 295 1 1 6 DPR HG2 H 1.862 -5.463 6.023 1.00 . A A . 6 DPR HG2 1 1 2 296 1 1 6 DPR HG3 H 0.588 -4.232 5.995 1.00 . A A . 6 DPR HG3 1 1 2 297 1 1 6 DPR N N 3.533 -3.147 5.298 1.00 . A A . 6 DPR N 1 1 2 298 1 1 6 DPR O O 3.343 -1.017 7.399 1.00 . A A . 6 DPR O 1 1 2 299 1 1 7 ASP C C 7.234 -0.775 8.752 1.00 . A A . 7 ASP C 1 1 2 300 1 1 7 ASP CA C 5.709 -0.836 8.799 1.00 . A A . 7 ASP CA 1 1 2 301 1 1 7 ASP CB C 5.241 -0.850 10.257 1.00 . A A . 7 ASP CB 1 1 2 302 1 1 7 ASP CG C 5.588 0.472 10.935 1.00 . A A . 7 ASP CG 1 1 2 303 1 1 7 ASP H H 5.760 -2.845 8.125 1.00 . A A . 7 ASP H 1 1 2 304 1 1 7 ASP HA H 5.307 0.040 8.313 1.00 . A A . 7 ASP HA 1 1 2 305 1 1 7 ASP HB2 H 4.172 -0.998 10.287 1.00 . A A . 7 ASP HB2 1 1 2 306 1 1 7 ASP HB3 H 5.729 -1.658 10.781 1.00 . A A . 7 ASP HB3 1 1 2 307 1 1 7 ASP N N 5.223 -2.025 8.110 1.00 . A A . 7 ASP N 1 1 2 308 1 1 7 ASP O O 7.889 -0.612 9.782 1.00 . A A . 7 ASP O 1 1 2 309 1 1 7 ASP OD1 O 5.131 0.681 12.047 1.00 . A A . 7 ASP OD1 1 1 2 310 1 1 7 ASP OD2 O 6.302 1.257 10.333 1.00 . A A . 7 ASP OD2 1 1 2 311 1 1 8 THR C C 9.642 0.322 6.493 1.00 . A A . 8 THR C 1 1 2 312 1 1 8 THR CA C 9.239 -0.849 7.387 1.00 . A A . 8 THR CA 1 1 2 313 1 1 8 THR CB C 9.742 -2.158 6.774 1.00 . A A . 8 THR CB 1 1 2 314 1 1 8 THR CG2 C 9.359 -3.328 7.679 1.00 . A A . 8 THR CG2 1 1 2 315 1 1 8 THR H H 7.220 -1.023 6.765 1.00 . A A . 8 THR H 1 1 2 316 1 1 8 THR HA H 9.698 -0.722 8.356 1.00 . A A . 8 THR HA 1 1 2 317 1 1 8 THR HB H 10.817 -2.121 6.676 1.00 . A A . 8 THR HB 1 1 2 318 1 1 8 THR HG1 H 9.861 -2.350 4.842 1.00 . A A . 8 THR HG1 1 1 2 319 1 1 8 THR HG21 H 9.751 -4.247 7.267 1.00 . A A . 8 THR HG21 1 1 2 320 1 1 8 THR HG22 H 8.283 -3.395 7.745 1.00 . A A . 8 THR HG22 1 1 2 321 1 1 8 THR HG23 H 9.770 -3.172 8.665 1.00 . A A . 8 THR HG23 1 1 2 322 1 1 8 THR N N 7.791 -0.900 7.552 1.00 . A A . 8 THR N 1 1 2 323 1 1 8 THR O O 10.784 0.779 6.534 1.00 . A A . 8 THR O 1 1 2 324 1 1 8 THR OG1 O 9.155 -2.334 5.492 1.00 . A A . 8 THR OG1 1 1 2 325 1 1 9 MET C C 8.041 3.091 5.084 1.00 . A A . 9 MET C 1 1 2 326 1 1 9 MET CA C 8.974 1.921 4.789 1.00 . A A . 9 MET CA 1 1 2 327 1 1 9 MET CB C 8.794 1.480 3.337 1.00 . A A . 9 MET CB 1 1 2 328 1 1 9 MET CE C 8.337 -0.826 1.184 1.00 . A A . 9 MET CE 1 1 2 329 1 1 9 MET CG C 9.908 0.504 2.956 1.00 . A A . 9 MET CG 1 1 2 330 1 1 9 MET H H 7.806 0.402 5.692 1.00 . A A . 9 MET H 1 1 2 331 1 1 9 MET HA H 9.994 2.243 4.931 1.00 . A A . 9 MET HA 1 1 2 332 1 1 9 MET HB2 H 7.835 0.994 3.226 1.00 . A A . 9 MET HB2 1 1 2 333 1 1 9 MET HB3 H 8.837 2.342 2.690 1.00 . A A . 9 MET HB3 1 1 2 334 1 1 9 MET HE1 H 8.410 -1.576 1.960 1.00 . A A . 9 MET HE1 1 1 2 335 1 1 9 MET HE2 H 8.222 -1.310 0.228 1.00 . A A . 9 MET HE2 1 1 2 336 1 1 9 MET HE3 H 7.483 -0.190 1.369 1.00 . A A . 9 MET HE3 1 1 2 337 1 1 9 MET HG2 H 10.865 0.935 3.209 1.00 . A A . 9 MET HG2 1 1 2 338 1 1 9 MET HG3 H 9.776 -0.422 3.497 1.00 . A A . 9 MET HG3 1 1 2 339 1 1 9 MET N N 8.699 0.804 5.686 1.00 . A A . 9 MET N 1 1 2 340 1 1 9 MET O O 8.462 4.248 5.086 1.00 . A A . 9 MET O 1 1 2 341 1 1 9 MET SD S 9.844 0.178 1.176 1.00 . A A . 9 MET SD 1 1 2 342 1 1 10 TYR C C 5.568 4.715 4.412 1.00 . A A . 10 TYR C 1 1 2 343 1 1 10 TYR CA C 5.780 3.809 5.622 1.00 . A A . 10 TYR CA 1 1 2 344 1 1 10 TYR CB C 6.228 4.648 6.821 1.00 . A A . 10 TYR CB 1 1 2 345 1 1 10 TYR CD1 C 4.593 5.522 8.528 1.00 . A A . 10 TYR CD1 1 1 2 346 1 1 10 TYR CD2 C 5.062 3.144 8.471 1.00 . A A . 10 TYR CD2 1 1 2 347 1 1 10 TYR CE1 C 3.705 5.323 9.591 1.00 . A A . 10 TYR CE1 1 1 2 348 1 1 10 TYR CE2 C 4.173 2.944 9.536 1.00 . A A . 10 TYR CE2 1 1 2 349 1 1 10 TYR CG C 5.272 4.433 7.969 1.00 . A A . 10 TYR CG 1 1 2 350 1 1 10 TYR CZ C 3.495 4.033 10.095 1.00 . A A . 10 TYR CZ 1 1 2 351 1 1 10 TYR H H 6.497 1.839 5.312 1.00 . A A . 10 TYR H 1 1 2 352 1 1 10 TYR HA H 4.843 3.331 5.865 1.00 . A A . 10 TYR HA 1 1 2 353 1 1 10 TYR HB2 H 7.222 4.349 7.119 1.00 . A A . 10 TYR HB2 1 1 2 354 1 1 10 TYR HB3 H 6.233 5.692 6.548 1.00 . A A . 10 TYR HB3 1 1 2 355 1 1 10 TYR HD1 H 4.756 6.517 8.139 1.00 . A A . 10 TYR HD1 1 1 2 356 1 1 10 TYR HD2 H 5.585 2.303 8.039 1.00 . A A . 10 TYR HD2 1 1 2 357 1 1 10 TYR HE1 H 3.182 6.163 10.024 1.00 . A A . 10 TYR HE1 1 1 2 358 1 1 10 TYR HE2 H 4.011 1.950 9.923 1.00 . A A . 10 TYR HE2 1 1 2 359 1 1 10 TYR HH H 2.996 4.245 11.926 1.00 . A A . 10 TYR HH 1 1 2 360 1 1 10 TYR N N 6.772 2.779 5.329 1.00 . A A . 10 TYR N 1 1 2 361 1 1 10 TYR O O 6.521 5.262 3.858 1.00 . A A . 10 TYR O 1 1 2 362 1 1 10 TYR OH O 2.620 3.836 11.143 1.00 . A A . 10 TYR OH 1 1 3 363 1 1 1 LEU C C 5.773 4.993 1.214 1.00 . A A . 1 LEU C 1 1 3 364 1 1 1 LEU CA C 6.863 4.152 1.874 1.00 . A A . 1 LEU CA 1 1 3 365 1 1 1 LEU CB C 7.092 2.862 1.075 1.00 . A A . 1 LEU CB 1 1 3 366 1 1 1 LEU CD1 C 8.659 4.044 -0.479 1.00 . A A . 1 LEU CD1 1 1 3 367 1 1 1 LEU CD2 C 7.599 1.894 -1.170 1.00 . A A . 1 LEU CD2 1 1 3 368 1 1 1 LEU CG C 7.390 3.194 -0.390 1.00 . A A . 1 LEU CG 1 1 3 369 1 1 1 LEU H1 H 6.559 2.895 3.553 1.00 . A A . 1 LEU H1 1 1 3 370 1 1 1 LEU HA H 7.781 4.720 1.888 1.00 . A A . 1 LEU HA 1 1 3 371 1 1 1 LEU HB2 H 7.929 2.326 1.497 1.00 . A A . 1 LEU HB2 1 1 3 372 1 1 1 LEU HB3 H 6.209 2.244 1.130 1.00 . A A . 1 LEU HB3 1 1 3 373 1 1 1 LEU HD11 H 9.443 3.584 0.105 1.00 . A A . 1 LEU HD11 1 1 3 374 1 1 1 LEU HD12 H 8.457 5.034 -0.095 1.00 . A A . 1 LEU HD12 1 1 3 375 1 1 1 LEU HD13 H 8.973 4.116 -1.510 1.00 . A A . 1 LEU HD13 1 1 3 376 1 1 1 LEU HD21 H 7.997 2.119 -2.147 1.00 . A A . 1 LEU HD21 1 1 3 377 1 1 1 LEU HD22 H 6.654 1.382 -1.275 1.00 . A A . 1 LEU HD22 1 1 3 378 1 1 1 LEU HD23 H 8.293 1.262 -0.636 1.00 . A A . 1 LEU HD23 1 1 3 379 1 1 1 LEU HG H 6.560 3.739 -0.816 1.00 . A A . 1 LEU HG 1 1 3 380 1 1 1 LEU N N 6.494 3.824 3.246 1.00 . A A . 1 LEU N 1 1 3 381 1 1 1 LEU O O 5.895 6.214 1.117 1.00 . A A . 1 LEU O 1 1 3 382 1 1 2 . C C 2.754 4.066 -0.685 1.00 . A A . 2 DGL C 1 1 3 383 1 1 2 . CA C 3.608 5.039 0.118 1.00 . A A . 2 DGL CA 1 1 3 384 1 1 2 . CB C 2.746 5.736 1.175 1.00 . A A . 2 DGL CB 1 1 3 385 1 1 2 . CD C 1.023 6.522 -0.472 1.00 . A A . 2 DGL CD 1 1 3 386 1 1 2 . CG C 2.061 6.959 0.559 1.00 . A A . 2 DGL CG 1 1 3 387 1 1 2 . H H 4.663 3.363 0.868 1.00 . A A . 2 DGL H 1 1 3 388 1 1 2 . HA H 4.012 5.786 -0.550 1.00 . A A . 2 DGL HA 1 1 3 389 1 1 2 . HB2 H 1.997 5.047 1.538 1.00 . A A . 2 DGL HB2 1 1 3 390 1 1 2 . HB3 H 3.371 6.053 1.997 1.00 . A A . 2 DGL HB3 1 1 3 391 1 1 2 . HG2 H 1.572 7.525 1.339 1.00 . A A . 2 DGL HG2 1 1 3 392 1 1 2 . HG3 H 2.802 7.579 0.079 1.00 . A A . 2 DGL HG3 1 1 3 393 1 1 2 . N N 4.710 4.336 0.763 1.00 . A A . 2 DGL N 1 1 3 394 1 1 2 . O O 2.464 4.303 -1.858 1.00 . A A . 2 DGL O 1 1 3 395 1 1 2 . OE1 O 0.446 5.463 -0.292 1.00 . A A . 2 DGL OE1 1 1 3 396 1 1 2 . OE2 O 0.822 7.255 -1.427 1.00 . A A . 2 DGL OE2 1 1 3 397 1 1 3 . C C 1.328 0.753 0.189 1.00 . A A . 3 DAR C 1 1 3 398 1 1 3 . CA C 1.532 1.966 -0.712 1.00 . A A . 3 DAR CA 1 1 3 399 1 1 3 . CB C 0.172 2.567 -1.085 1.00 . A A . 3 DAR CB 1 1 3 400 1 1 3 . CD C -1.963 3.512 -0.193 1.00 . A A . 3 DAR CD 1 1 3 401 1 1 3 . CG C -0.637 2.851 0.184 1.00 . A A . 3 DAR CG 1 1 3 402 1 1 3 . CZ C -3.948 4.367 0.942 1.00 . A A . 3 DAR CZ 1 1 3 403 1 1 3 . H H 2.616 2.835 0.888 1.00 . A A . 3 DAR H 1 1 3 404 1 1 3 . HA H 2.031 1.650 -1.616 1.00 . A A . 3 DAR HA 1 1 3 405 1 1 3 . HB2 H 0.323 3.488 -1.628 1.00 . A A . 3 DAR HB2 1 1 3 406 1 1 3 . HB3 H -0.371 1.870 -1.705 1.00 . A A . 3 DAR HB3 1 1 3 407 1 1 3 . HD2 H -1.766 4.442 -0.705 1.00 . A A . 3 DAR HD2 1 1 3 408 1 1 3 . HD3 H -2.516 2.855 -0.847 1.00 . A A . 3 DAR HD3 1 1 3 409 1 1 3 . HE H -2.391 3.527 1.881 1.00 . A A . 3 DAR HE 1 1 3 410 1 1 3 . HG2 H -0.835 1.924 0.702 1.00 . A A . 3 DAR HG2 1 1 3 411 1 1 3 . HG3 H -0.078 3.512 0.829 1.00 . A A . 3 DAR HG3 1 1 3 412 1 1 3 . HH11 H -4.232 4.320 2.923 1.00 . A A . 3 DAR HH11 1 1 3 413 1 1 3 . HH12 H -5.516 5.026 2.000 1.00 . A A . 3 DAR HH12 1 1 3 414 1 1 3 . HH21 H -3.960 4.557 -1.058 1.00 . A A . 3 DAR HH21 1 1 3 415 1 1 3 . HH22 H -5.360 5.157 -0.240 1.00 . A A . 3 DAR HH22 1 1 3 416 1 1 3 . N N 2.353 2.970 -0.047 1.00 . A A . 3 DAR N 1 1 3 417 1 1 3 . NE N -2.751 3.782 1.006 1.00 . A A . 3 DAR NE 1 1 3 418 1 1 3 . NH1 N -4.617 4.588 2.041 1.00 . A A . 3 DAR NH1 1 1 3 419 1 1 3 . NH2 N -4.461 4.721 -0.210 1.00 . A A . 3 DAR NH2 1 1 3 420 1 1 3 . O O 1.215 -0.375 -0.289 1.00 . A A . 3 DAR O 1 1 3 421 1 1 4 ARG C C 2.118 -1.189 2.234 1.00 . A A . 4 ARG C 1 1 3 422 1 1 4 ARG CA C 1.086 -0.088 2.453 1.00 . A A . 4 ARG CA 1 1 3 423 1 1 4 ARG CB C -0.323 -0.669 2.306 1.00 . A A . 4 ARG CB 1 1 3 424 1 1 4 ARG CD C -1.074 -0.216 4.657 1.00 . A A . 4 ARG CD 1 1 3 425 1 1 4 ARG CG C -0.769 -1.307 3.627 1.00 . A A . 4 ARG CG 1 1 3 426 1 1 4 ARG CZ C -2.086 -0.052 6.872 1.00 . A A . 4 ARG CZ 1 1 3 427 1 1 4 ARG H H 1.373 1.914 1.819 1.00 . A A . 4 ARG H 1 1 3 428 1 1 4 ARG HA H 1.201 0.306 3.449 1.00 . A A . 4 ARG HA 1 1 3 429 1 1 4 ARG HB2 H -1.011 0.121 2.040 1.00 . A A . 4 ARG HB2 1 1 3 430 1 1 4 ARG HB3 H -0.323 -1.420 1.530 1.00 . A A . 4 ARG HB3 1 1 3 431 1 1 4 ARG HD2 H -0.151 0.229 4.996 1.00 . A A . 4 ARG HD2 1 1 3 432 1 1 4 ARG HD3 H -1.690 0.546 4.200 1.00 . A A . 4 ARG HD3 1 1 3 433 1 1 4 ARG HE H -2.025 -1.734 5.785 1.00 . A A . 4 ARG HE 1 1 3 434 1 1 4 ARG HG2 H -1.657 -1.898 3.457 1.00 . A A . 4 ARG HG2 1 1 3 435 1 1 4 ARG HG3 H 0.020 -1.942 4.002 1.00 . A A . 4 ARG HG3 1 1 3 436 1 1 4 ARG HH11 H -1.288 1.653 6.171 1.00 . A A . 4 ARG HH11 1 1 3 437 1 1 4 ARG HH12 H -2.010 1.753 7.739 1.00 . A A . 4 ARG HH12 1 1 3 438 1 1 4 ARG HH21 H -2.960 -1.574 7.836 1.00 . A A . 4 ARG HH21 1 1 3 439 1 1 4 ARG HH22 H -2.952 -0.060 8.678 1.00 . A A . 4 ARG HH22 1 1 3 440 1 1 4 ARG N N 1.280 0.995 1.495 1.00 . A A . 4 ARG N 1 1 3 441 1 1 4 ARG NE N -1.776 -0.786 5.802 1.00 . A A . 4 ARG NE 1 1 3 442 1 1 4 ARG NH1 N -1.770 1.217 6.930 1.00 . A A . 4 ARG NH1 1 1 3 443 1 1 4 ARG NH2 N -2.715 -0.605 7.873 1.00 . A A . 4 ARG NH2 1 1 3 444 1 1 4 ARG O O 1.881 -2.133 1.480 1.00 . A A . 4 ARG O 1 1 3 445 1 1 5 TYR C C 4.807 -2.494 4.149 1.00 . A A . 5 TYR C 1 1 3 446 1 1 5 TYR CA C 4.322 -2.054 2.770 1.00 . A A . 5 TYR CA 1 1 3 447 1 1 5 TYR CB C 5.490 -1.460 1.980 1.00 . A A . 5 TYR CB 1 1 3 448 1 1 5 TYR CD1 C 7.592 -2.766 2.465 1.00 . A A . 5 TYR CD1 1 1 3 449 1 1 5 TYR CD2 C 6.285 -3.344 0.506 1.00 . A A . 5 TYR CD2 1 1 3 450 1 1 5 TYR CE1 C 8.509 -3.776 2.151 1.00 . A A . 5 TYR CE1 1 1 3 451 1 1 5 TYR CE2 C 7.202 -4.354 0.193 1.00 . A A . 5 TYR CE2 1 1 3 452 1 1 5 TYR CG C 6.480 -2.550 1.642 1.00 . A A . 5 TYR CG 1 1 3 453 1 1 5 TYR CZ C 8.313 -4.570 1.016 1.00 . A A . 5 TYR CZ 1 1 3 454 1 1 5 TYR H H 3.393 -0.290 3.487 1.00 . A A . 5 TYR H 1 1 3 455 1 1 5 TYR HA H 3.941 -2.911 2.235 1.00 . A A . 5 TYR HA 1 1 3 456 1 1 5 TYR HB2 H 5.119 -1.016 1.067 1.00 . A A . 5 TYR HB2 1 1 3 457 1 1 5 TYR HB3 H 5.978 -0.703 2.575 1.00 . A A . 5 TYR HB3 1 1 3 458 1 1 5 TYR HD1 H 7.743 -2.153 3.342 1.00 . A A . 5 TYR HD1 1 1 3 459 1 1 5 TYR HD2 H 5.427 -3.177 -0.128 1.00 . A A . 5 TYR HD2 1 1 3 460 1 1 5 TYR HE1 H 9.367 -3.943 2.786 1.00 . A A . 5 TYR HE1 1 1 3 461 1 1 5 TYR HE2 H 7.051 -4.966 -0.684 1.00 . A A . 5 TYR HE2 1 1 3 462 1 1 5 TYR HH H 8.896 -6.387 1.086 1.00 . A A . 5 TYR HH 1 1 3 463 1 1 5 TYR N N 3.260 -1.063 2.899 1.00 . A A . 5 TYR N 1 1 3 464 1 1 5 TYR O O 5.874 -2.082 4.603 1.00 . A A . 5 TYR O 1 1 3 465 1 1 5 TYR OH O 9.218 -5.566 0.706 1.00 . A A . 5 TYR OH 1 1 3 466 1 1 6 DPR C C 4.886 -2.725 7.113 1.00 . A A . 6 DPR C 1 1 3 467 1 1 6 DPR CA C 4.385 -3.827 6.179 1.00 . A A . 6 DPR CA 1 1 3 468 1 1 6 DPR CB C 3.069 -4.414 6.689 1.00 . A A . 6 DPR CB 1 1 3 469 1 1 6 DPR CD C 2.749 -3.847 4.349 1.00 . A A . 6 DPR CD 1 1 3 470 1 1 6 DPR CG C 2.304 -4.795 5.465 1.00 . A A . 6 DPR CG 1 1 3 471 1 1 6 DPR HA H 5.120 -4.612 6.103 1.00 . A A . 6 DPR HA 1 1 3 472 1 1 6 DPR HB2 H 3.262 -5.286 7.299 1.00 . A A . 6 DPR HB2 1 1 3 473 1 1 6 DPR HB3 H 2.521 -3.674 7.250 1.00 . A A . 6 DPR HB3 1 1 3 474 1 1 6 DPR HD2 H 2.875 -4.389 3.422 1.00 . A A . 6 DPR HD2 1 1 3 475 1 1 6 DPR HD3 H 2.038 -3.045 4.227 1.00 . A A . 6 DPR HD3 1 1 3 476 1 1 6 DPR HG2 H 2.526 -5.819 5.196 1.00 . A A . 6 DPR HG2 1 1 3 477 1 1 6 DPR HG3 H 1.245 -4.678 5.639 1.00 . A A . 6 DPR HG3 1 1 3 478 1 1 6 DPR N N 4.039 -3.316 4.819 1.00 . A A . 6 DPR N 1 1 3 479 1 1 6 DPR O O 5.586 -2.999 8.088 1.00 . A A . 6 DPR O 1 1 3 480 1 1 7 ASP C C 6.439 -0.402 7.895 1.00 . A A . 7 ASP C 1 1 3 481 1 1 7 ASP CA C 4.937 -0.353 7.634 1.00 . A A . 7 ASP CA 1 1 3 482 1 1 7 ASP CB C 4.183 -0.373 8.965 1.00 . A A . 7 ASP CB 1 1 3 483 1 1 7 ASP CG C 4.387 0.949 9.699 1.00 . A A . 7 ASP CG 1 1 3 484 1 1 7 ASP H H 3.960 -1.324 6.026 1.00 . A A . 7 ASP H 1 1 3 485 1 1 7 ASP HA H 4.702 0.563 7.114 1.00 . A A . 7 ASP HA 1 1 3 486 1 1 7 ASP HB2 H 3.130 -0.521 8.778 1.00 . A A . 7 ASP HB2 1 1 3 487 1 1 7 ASP HB3 H 4.556 -1.181 9.575 1.00 . A A . 7 ASP HB3 1 1 3 488 1 1 7 ASP N N 4.522 -1.483 6.812 1.00 . A A . 7 ASP N 1 1 3 489 1 1 7 ASP O O 6.894 -0.126 9.005 1.00 . A A . 7 ASP O 1 1 3 490 1 1 7 ASP OD1 O 3.710 1.163 10.690 1.00 . A A . 7 ASP OD1 1 1 3 491 1 1 7 ASP OD2 O 5.214 1.728 9.256 1.00 . A A . 7 ASP OD2 1 1 3 492 1 1 8 THR C C 9.256 0.559 7.152 1.00 . A A . 8 THR C 1 1 3 493 1 1 8 THR CA C 8.656 -0.836 7.007 1.00 . A A . 8 THR CA 1 1 3 494 1 1 8 THR CB C 9.261 -1.531 5.785 1.00 . A A . 8 THR CB 1 1 3 495 1 1 8 THR CG2 C 8.713 -2.955 5.681 1.00 . A A . 8 THR CG2 1 1 3 496 1 1 8 THR H H 6.791 -0.968 6.006 1.00 . A A . 8 THR H 1 1 3 497 1 1 8 THR HA H 8.892 -1.412 7.888 1.00 . A A . 8 THR HA 1 1 3 498 1 1 8 THR HB H 10.334 -1.570 5.889 1.00 . A A . 8 THR HB 1 1 3 499 1 1 8 THR HG1 H 7.981 -0.625 4.635 1.00 . A A . 8 THR HG1 1 1 3 500 1 1 8 THR HG21 H 8.948 -3.360 4.708 1.00 . A A . 8 THR HG21 1 1 3 501 1 1 8 THR HG22 H 7.642 -2.941 5.816 1.00 . A A . 8 THR HG22 1 1 3 502 1 1 8 THR HG23 H 9.164 -3.571 6.445 1.00 . A A . 8 THR HG23 1 1 3 503 1 1 8 THR N N 7.206 -0.757 6.868 1.00 . A A . 8 THR N 1 1 3 504 1 1 8 THR O O 10.283 0.739 7.808 1.00 . A A . 8 THR O 1 1 3 505 1 1 8 THR OG1 O 8.924 -0.802 4.613 1.00 . A A . 8 THR OG1 1 1 3 506 1 1 9 MET C C 8.052 3.873 6.012 1.00 . A A . 9 MET C 1 1 3 507 1 1 9 MET CA C 9.085 2.918 6.602 1.00 . A A . 9 MET CA 1 1 3 508 1 1 9 MET CB C 10.403 3.050 5.836 1.00 . A A . 9 MET CB 1 1 3 509 1 1 9 MET CE C 11.832 4.680 3.483 1.00 . A A . 9 MET CE 1 1 3 510 1 1 9 MET CG C 10.171 2.721 4.360 1.00 . A A . 9 MET CG 1 1 3 511 1 1 9 MET H H 7.796 1.337 6.029 1.00 . A A . 9 MET H 1 1 3 512 1 1 9 MET HA H 9.255 3.180 7.636 1.00 . A A . 9 MET HA 1 1 3 513 1 1 9 MET HB2 H 10.771 4.061 5.927 1.00 . A A . 9 MET HB2 1 1 3 514 1 1 9 MET HB3 H 11.128 2.364 6.246 1.00 . A A . 9 MET HB3 1 1 3 515 1 1 9 MET HE1 H 12.155 5.007 4.462 1.00 . A A . 9 MET HE1 1 1 3 516 1 1 9 MET HE2 H 10.863 5.098 3.267 1.00 . A A . 9 MET HE2 1 1 3 517 1 1 9 MET HE3 H 12.540 5.010 2.734 1.00 . A A . 9 MET HE3 1 1 3 518 1 1 9 MET HG2 H 9.800 1.711 4.270 1.00 . A A . 9 MET HG2 1 1 3 519 1 1 9 MET HG3 H 9.448 3.409 3.947 1.00 . A A . 9 MET HG3 1 1 3 520 1 1 9 MET N N 8.608 1.542 6.536 1.00 . A A . 9 MET N 1 1 3 521 1 1 9 MET O O 8.394 4.957 5.541 1.00 . A A . 9 MET O 1 1 3 522 1 1 9 MET SD S 11.731 2.873 3.457 1.00 . A A . 9 MET SD 1 1 3 523 1 1 10 TYR C C 6.071 4.761 4.088 1.00 . A A . 10 TYR C 1 1 3 524 1 1 10 TYR CA C 5.717 4.290 5.494 1.00 . A A . 10 TYR CA 1 1 3 525 1 1 10 TYR CB C 5.485 5.504 6.396 1.00 . A A . 10 TYR CB 1 1 3 526 1 1 10 TYR CD1 C 3.697 4.794 8.026 1.00 . A A . 10 TYR CD1 1 1 3 527 1 1 10 TYR CD2 C 6.003 4.852 8.775 1.00 . A A . 10 TYR CD2 1 1 3 528 1 1 10 TYR CE1 C 3.295 4.363 9.296 1.00 . A A . 10 TYR CE1 1 1 3 529 1 1 10 TYR CE2 C 5.601 4.420 10.045 1.00 . A A . 10 TYR CE2 1 1 3 530 1 1 10 TYR CG C 5.052 5.038 7.765 1.00 . A A . 10 TYR CG 1 1 3 531 1 1 10 TYR CZ C 4.248 4.177 10.305 1.00 . A A . 10 TYR CZ 1 1 3 532 1 1 10 TYR H H 6.572 2.587 6.420 1.00 . A A . 10 TYR H 1 1 3 533 1 1 10 TYR HA H 4.810 3.707 5.451 1.00 . A A . 10 TYR HA 1 1 3 534 1 1 10 TYR HB2 H 6.400 6.070 6.482 1.00 . A A . 10 TYR HB2 1 1 3 535 1 1 10 TYR HB3 H 4.714 6.128 5.969 1.00 . A A . 10 TYR HB3 1 1 3 536 1 1 10 TYR HD1 H 2.963 4.939 7.247 1.00 . A A . 10 TYR HD1 1 1 3 537 1 1 10 TYR HD2 H 7.048 5.039 8.574 1.00 . A A . 10 TYR HD2 1 1 3 538 1 1 10 TYR HE1 H 2.252 4.175 9.497 1.00 . A A . 10 TYR HE1 1 1 3 539 1 1 10 TYR HE2 H 6.335 4.276 10.824 1.00 . A A . 10 TYR HE2 1 1 3 540 1 1 10 TYR HH H 4.244 4.338 12.208 1.00 . A A . 10 TYR HH 1 1 3 541 1 1 10 TYR N N 6.788 3.462 6.036 1.00 . A A . 10 TYR N 1 1 3 542 1 1 10 TYR O O 5.965 5.947 3.775 1.00 . A A . 10 TYR O 1 1 3 543 1 1 10 TYR OH O 3.851 3.752 11.556 1.00 . A A . 10 TYR OH 1 1 4 544 1 1 1 LEU C C 4.793 5.606 1.551 1.00 . A A . 1 LEU C 1 1 4 545 1 1 1 LEU CA C 5.375 6.388 2.727 1.00 . A A . 1 LEU CA 1 1 4 546 1 1 1 LEU CB C 6.640 7.123 2.277 1.00 . A A . 1 LEU CB 1 1 4 547 1 1 1 LEU CD1 C 7.607 9.421 2.113 1.00 . A A . 1 LEU CD1 1 1 4 548 1 1 1 LEU CD2 C 5.686 8.768 0.657 1.00 . A A . 1 LEU CD2 1 1 4 549 1 1 1 LEU CG C 6.318 8.600 2.041 1.00 . A A . 1 LEU CG 1 1 4 550 1 1 1 LEU H1 H 5.578 4.522 3.712 1.00 . A A . 1 LEU H1 1 1 4 551 1 1 1 LEU HA H 4.649 7.113 3.060 1.00 . A A . 1 LEU HA 1 1 4 552 1 1 1 LEU HB2 H 7.397 7.037 3.043 1.00 . A A . 1 LEU HB2 1 1 4 553 1 1 1 LEU HB3 H 7.004 6.686 1.360 1.00 . A A . 1 LEU HB3 1 1 4 554 1 1 1 LEU HD11 H 7.366 10.474 2.078 1.00 . A A . 1 LEU HD11 1 1 4 555 1 1 1 LEU HD12 H 8.242 9.169 1.277 1.00 . A A . 1 LEU HD12 1 1 4 556 1 1 1 LEU HD13 H 8.123 9.201 3.036 1.00 . A A . 1 LEU HD13 1 1 4 557 1 1 1 LEU HD21 H 4.715 8.294 0.645 1.00 . A A . 1 LEU HD21 1 1 4 558 1 1 1 LEU HD22 H 6.319 8.310 -0.087 1.00 . A A . 1 LEU HD22 1 1 4 559 1 1 1 LEU HD23 H 5.575 9.819 0.438 1.00 . A A . 1 LEU HD23 1 1 4 560 1 1 1 LEU HG H 5.629 8.946 2.798 1.00 . A A . 1 LEU HG 1 1 4 561 1 1 1 LEU N N 5.688 5.489 3.832 1.00 . A A . 1 LEU N 1 1 4 562 1 1 1 LEU O O 3.654 5.838 1.146 1.00 . A A . 1 LEU O 1 1 4 563 1 1 2 . C C 3.904 3.056 0.245 1.00 . A A . 2 DGL C 1 1 4 564 1 1 2 . CA C 5.146 3.866 -0.118 1.00 . A A . 2 DGL CA 1 1 4 565 1 1 2 . CB C 4.849 4.752 -1.332 1.00 . A A . 2 DGL CB 1 1 4 566 1 1 2 . CD C 6.956 4.409 -2.646 1.00 . A A . 2 DGL CD 1 1 4 567 1 1 2 . CG C 6.147 5.403 -1.817 1.00 . A A . 2 DGL CG 1 1 4 568 1 1 2 . H H 6.480 4.543 1.383 1.00 . A A . 2 DGL H 1 1 4 569 1 1 2 . HA H 5.940 3.182 -0.378 1.00 . A A . 2 DGL HA 1 1 4 570 1 1 2 . HB2 H 4.428 4.149 -2.123 1.00 . A A . 2 DGL HB2 1 1 4 571 1 1 2 . HB3 H 4.146 5.521 -1.056 1.00 . A A . 2 DGL HB3 1 1 4 572 1 1 2 . HG2 H 5.909 6.265 -2.423 1.00 . A A . 2 DGL HG2 1 1 4 573 1 1 2 . HG3 H 6.731 5.715 -0.965 1.00 . A A . 2 DGL HG3 1 1 4 574 1 1 2 . N N 5.584 4.681 1.012 1.00 . A A . 2 DGL N 1 1 4 575 1 1 2 . O O 3.139 2.649 -0.630 1.00 . A A . 2 DGL O 1 1 4 576 1 1 2 . OE1 O 8.153 4.608 -2.767 1.00 . A A . 2 DGL OE1 1 1 4 577 1 1 2 . OE2 O 6.368 3.466 -3.148 1.00 . A A . 2 DGL OE2 1 1 4 578 1 1 3 . C C 2.446 0.737 1.254 1.00 . A A . 3 DAR C 1 1 4 579 1 1 3 . CA C 2.553 2.063 2.003 1.00 . A A . 3 DAR CA 1 1 4 580 1 1 3 . CB C 2.678 1.793 3.505 1.00 . A A . 3 DAR CB 1 1 4 581 1 1 3 . CD C 0.348 1.791 4.413 1.00 . A A . 3 DAR CD 1 1 4 582 1 1 3 . CG C 1.630 2.611 4.264 1.00 . A A . 3 DAR CG 1 1 4 583 1 1 3 . CZ C -0.608 2.555 6.528 1.00 . A A . 3 DAR CZ 1 1 4 584 1 1 3 . H H 4.347 3.173 2.194 1.00 . A A . 3 DAR H 1 1 4 585 1 1 3 . HA H 1.657 2.639 1.826 1.00 . A A . 3 DAR HA 1 1 4 586 1 1 3 . HB2 H 2.521 0.741 3.694 1.00 . A A . 3 DAR HB2 1 1 4 587 1 1 3 . HB3 H 3.665 2.075 3.840 1.00 . A A . 3 DAR HB3 1 1 4 588 1 1 3 . HD2 H -0.058 1.584 3.434 1.00 . A A . 3 DAR HD2 1 1 4 589 1 1 3 . HD3 H 0.574 0.858 4.908 1.00 . A A . 3 DAR HD3 1 1 4 590 1 1 3 . HE H -1.342 3.028 4.724 1.00 . A A . 3 DAR HE 1 1 4 591 1 1 3 . HG2 H 2.013 2.863 5.243 1.00 . A A . 3 DAR HG2 1 1 4 592 1 1 3 . HG3 H 1.415 3.517 3.718 1.00 . A A . 3 DAR HG3 1 1 4 593 1 1 3 . HH11 H -2.232 3.717 6.681 1.00 . A A . 3 DAR HH11 1 1 4 594 1 1 3 . HH12 H -1.501 3.246 8.180 1.00 . A A . 3 DAR HH12 1 1 4 595 1 1 3 . HH21 H 1.026 1.399 6.704 1.00 . A A . 3 DAR HH21 1 1 4 596 1 1 3 . HH22 H 0.329 1.943 8.190 1.00 . A A . 3 DAR HH22 1 1 4 597 1 1 3 . N N 3.707 2.825 1.540 1.00 . A A . 3 DAR N 1 1 4 598 1 1 3 . NE N -0.638 2.532 5.193 1.00 . A A . 3 DAR NE 1 1 4 599 1 1 3 . NH1 N -1.519 3.225 7.180 1.00 . A A . 3 DAR NH1 1 1 4 600 1 1 3 . NH2 N 0.322 1.915 7.190 1.00 . A A . 3 DAR NH2 1 1 4 601 1 1 3 . O O 3.327 0.382 0.472 1.00 . A A . 3 DAR O 1 1 4 602 1 1 4 ARG C C 2.301 -2.235 1.134 1.00 . A A . 4 ARG C 1 1 4 603 1 1 4 ARG CA C 1.143 -1.277 0.850 1.00 . A A . 4 ARG CA 1 1 4 604 1 1 4 ARG CB C 1.003 -1.075 -0.661 1.00 . A A . 4 ARG CB 1 1 4 605 1 1 4 ARG CD C -0.037 -1.977 -2.747 1.00 . A A . 4 ARG CD 1 1 4 606 1 1 4 ARG CG C 0.249 -2.259 -1.271 1.00 . A A . 4 ARG CG 1 1 4 607 1 1 4 ARG CZ C -1.218 -0.301 -4.072 1.00 . A A . 4 ARG CZ 1 1 4 608 1 1 4 ARG H H 0.693 0.347 2.136 1.00 . A A . 4 ARG H 1 1 4 609 1 1 4 ARG HA H 0.230 -1.710 1.228 1.00 . A A . 4 ARG HA 1 1 4 610 1 1 4 ARG HB2 H 0.456 -0.163 -0.853 1.00 . A A . 4 ARG HB2 1 1 4 611 1 1 4 ARG HB3 H 1.983 -1.007 -1.107 1.00 . A A . 4 ARG HB3 1 1 4 612 1 1 4 ARG HD2 H 0.893 -1.789 -3.261 1.00 . A A . 4 ARG HD2 1 1 4 613 1 1 4 ARG HD3 H -0.521 -2.836 -3.187 1.00 . A A . 4 ARG HD3 1 1 4 614 1 1 4 ARG HE H -1.263 -0.388 -2.071 1.00 . A A . 4 ARG HE 1 1 4 615 1 1 4 ARG HG2 H 0.849 -3.153 -1.185 1.00 . A A . 4 ARG HG2 1 1 4 616 1 1 4 ARG HG3 H -0.685 -2.401 -0.747 1.00 . A A . 4 ARG HG3 1 1 4 617 1 1 4 ARG HH11 H -0.159 -1.637 -5.134 1.00 . A A . 4 ARG HH11 1 1 4 618 1 1 4 ARG HH12 H -1.002 -0.443 -6.059 1.00 . A A . 4 ARG HH12 1 1 4 619 1 1 4 ARG HH21 H -2.354 1.159 -3.305 1.00 . A A . 4 ARG HH21 1 1 4 620 1 1 4 ARG HH22 H -2.237 1.130 -5.033 1.00 . A A . 4 ARG HH22 1 1 4 621 1 1 4 ARG N N 1.360 0.011 1.501 1.00 . A A . 4 ARG N 1 1 4 622 1 1 4 ARG NE N -0.904 -0.810 -2.879 1.00 . A A . 4 ARG NE 1 1 4 623 1 1 4 ARG NH1 N -0.756 -0.838 -5.173 1.00 . A A . 4 ARG NH1 1 1 4 624 1 1 4 ARG NH2 N -1.997 0.744 -4.142 1.00 . A A . 4 ARG NH2 1 1 4 625 1 1 4 ARG O O 2.470 -3.239 0.443 1.00 . A A . 4 ARG O 1 1 4 626 1 1 5 TYR C C 4.419 -2.776 4.033 1.00 . A A . 5 TYR C 1 1 4 627 1 1 5 TYR CA C 4.225 -2.769 2.519 1.00 . A A . 5 TYR CA 1 1 4 628 1 1 5 TYR CB C 5.497 -2.255 1.842 1.00 . A A . 5 TYR CB 1 1 4 629 1 1 5 TYR CD1 C 7.502 -3.148 3.083 1.00 . A A . 5 TYR CD1 1 1 4 630 1 1 5 TYR CD2 C 6.732 -4.326 1.108 1.00 . A A . 5 TYR CD2 1 1 4 631 1 1 5 TYR CE1 C 8.528 -4.086 3.243 1.00 . A A . 5 TYR CE1 1 1 4 632 1 1 5 TYR CE2 C 7.759 -5.265 1.269 1.00 . A A . 5 TYR CE2 1 1 4 633 1 1 5 TYR CG C 6.604 -3.267 2.015 1.00 . A A . 5 TYR CG 1 1 4 634 1 1 5 TYR CZ C 8.657 -5.145 2.336 1.00 . A A . 5 TYR CZ 1 1 4 635 1 1 5 TYR H H 2.915 -1.115 2.679 1.00 . A A . 5 TYR H 1 1 4 636 1 1 5 TYR HA H 4.034 -3.777 2.180 1.00 . A A . 5 TYR HA 1 1 4 637 1 1 5 TYR HB2 H 5.309 -2.103 0.789 1.00 . A A . 5 TYR HB2 1 1 4 638 1 1 5 TYR HB3 H 5.791 -1.321 2.295 1.00 . A A . 5 TYR HB3 1 1 4 639 1 1 5 TYR HD1 H 7.403 -2.332 3.782 1.00 . A A . 5 TYR HD1 1 1 4 640 1 1 5 TYR HD2 H 6.040 -4.418 0.285 1.00 . A A . 5 TYR HD2 1 1 4 641 1 1 5 TYR HE1 H 9.221 -3.995 4.066 1.00 . A A . 5 TYR HE1 1 1 4 642 1 1 5 TYR HE2 H 7.858 -6.081 0.568 1.00 . A A . 5 TYR HE2 1 1 4 643 1 1 5 TYR HH H 10.057 -6.234 1.631 1.00 . A A . 5 TYR HH 1 1 4 644 1 1 5 TYR N N 3.094 -1.923 2.156 1.00 . A A . 5 TYR N 1 1 4 645 1 1 5 TYR O O 5.315 -2.113 4.554 1.00 . A A . 5 TYR O 1 1 4 646 1 1 5 TYR OH O 9.668 -6.071 2.494 1.00 . A A . 5 TYR OH 1 1 4 647 1 1 6 DPR C C 3.740 -2.198 6.869 1.00 . A A . 6 DPR C 1 1 4 648 1 1 6 DPR CA C 3.682 -3.583 6.229 1.00 . A A . 6 DPR CA 1 1 4 649 1 1 6 DPR CB C 2.401 -4.317 6.632 1.00 . A A . 6 DPR CB 1 1 4 650 1 1 6 DPR CD C 2.499 -4.322 4.210 1.00 . A A . 6 DPR CD 1 1 4 651 1 1 6 DPR CG C 1.985 -5.092 5.427 1.00 . A A . 6 DPR CG 1 1 4 652 1 1 6 DPR HA H 4.540 -4.166 6.522 1.00 . A A . 6 DPR HA 1 1 4 653 1 1 6 DPR HB2 H 2.599 -4.986 7.459 1.00 . A A . 6 DPR HB2 1 1 4 654 1 1 6 DPR HB3 H 1.632 -3.609 6.899 1.00 . A A . 6 DPR HB3 1 1 4 655 1 1 6 DPR HD2 H 2.864 -5.007 3.457 1.00 . A A . 6 DPR HD2 1 1 4 656 1 1 6 DPR HD3 H 1.724 -3.690 3.805 1.00 . A A . 6 DPR HD3 1 1 4 657 1 1 6 DPR HG2 H 2.423 -6.081 5.455 1.00 . A A . 6 DPR HG2 1 1 4 658 1 1 6 DPR HG3 H 0.910 -5.163 5.383 1.00 . A A . 6 DPR HG3 1 1 4 659 1 1 6 DPR N N 3.597 -3.502 4.743 1.00 . A A . 6 DPR N 1 1 4 660 1 1 6 DPR O O 2.790 -1.422 6.774 1.00 . A A . 6 DPR O 1 1 4 661 1 1 7 ASP C C 6.492 -0.191 8.205 1.00 . A A . 7 ASP C 1 1 4 662 1 1 7 ASP CA C 5.022 -0.593 8.160 1.00 . A A . 7 ASP CA 1 1 4 663 1 1 7 ASP CB C 4.461 -0.645 9.582 1.00 . A A . 7 ASP CB 1 1 4 664 1 1 7 ASP CG C 4.388 0.762 10.166 1.00 . A A . 7 ASP CG 1 1 4 665 1 1 7 ASP H H 5.588 -2.547 7.559 1.00 . A A . 7 ASP H 1 1 4 666 1 1 7 ASP HA H 4.475 0.148 7.596 1.00 . A A . 7 ASP HA 1 1 4 667 1 1 7 ASP HB2 H 3.470 -1.076 9.561 1.00 . A A . 7 ASP HB2 1 1 4 668 1 1 7 ASP HB3 H 5.104 -1.254 10.198 1.00 . A A . 7 ASP HB3 1 1 4 669 1 1 7 ASP N N 4.860 -1.892 7.516 1.00 . A A . 7 ASP N 1 1 4 670 1 1 7 ASP O O 6.986 0.268 9.235 1.00 . A A . 7 ASP O 1 1 4 671 1 1 7 ASP OD1 O 4.920 1.668 9.546 1.00 . A A . 7 ASP OD1 1 1 4 672 1 1 7 ASP OD2 O 3.801 0.914 11.224 1.00 . A A . 7 ASP OD2 1 1 4 673 1 1 8 THR C C 8.816 1.114 5.992 1.00 . A A . 8 THR C 1 1 4 674 1 1 8 THR CA C 8.598 0.002 7.014 1.00 . A A . 8 THR CA 1 1 4 675 1 1 8 THR CB C 9.432 -1.222 6.625 1.00 . A A . 8 THR CB 1 1 4 676 1 1 8 THR CG2 C 9.231 -2.328 7.662 1.00 . A A . 8 THR CG2 1 1 4 677 1 1 8 THR H H 6.743 -0.724 6.289 1.00 . A A . 8 THR H 1 1 4 678 1 1 8 THR HA H 8.921 0.349 7.985 1.00 . A A . 8 THR HA 1 1 4 679 1 1 8 THR HB H 10.477 -0.951 6.591 1.00 . A A . 8 THR HB 1 1 4 680 1 1 8 THR HG1 H 8.086 -1.902 5.397 1.00 . A A . 8 THR HG1 1 1 4 681 1 1 8 THR HG21 H 9.676 -2.029 8.599 1.00 . A A . 8 THR HG21 1 1 4 682 1 1 8 THR HG22 H 9.702 -3.237 7.314 1.00 . A A . 8 THR HG22 1 1 4 683 1 1 8 THR HG23 H 8.175 -2.502 7.803 1.00 . A A . 8 THR HG23 1 1 4 684 1 1 8 THR N N 7.186 -0.359 7.083 1.00 . A A . 8 THR N 1 1 4 685 1 1 8 THR O O 9.755 1.901 6.106 1.00 . A A . 8 THR O 1 1 4 686 1 1 8 THR OG1 O 9.020 -1.686 5.347 1.00 . A A . 8 THR OG1 1 1 4 687 1 1 9 MET C C 7.753 3.580 4.546 1.00 . A A . 9 MET C 1 1 4 688 1 1 9 MET CA C 8.035 2.199 3.964 1.00 . A A . 9 MET CA 1 1 4 689 1 1 9 MET CB C 7.040 1.906 2.838 1.00 . A A . 9 MET CB 1 1 4 690 1 1 9 MET CE C 9.259 -0.644 0.475 1.00 . A A . 9 MET CE 1 1 4 691 1 1 9 MET CG C 7.483 0.661 2.064 1.00 . A A . 9 MET CG 1 1 4 692 1 1 9 MET H H 7.207 0.521 4.960 1.00 . A A . 9 MET H 1 1 4 693 1 1 9 MET HA H 9.034 2.191 3.558 1.00 . A A . 9 MET HA 1 1 4 694 1 1 9 MET HB2 H 6.060 1.737 3.260 1.00 . A A . 9 MET HB2 1 1 4 695 1 1 9 MET HB3 H 7.000 2.749 2.165 1.00 . A A . 9 MET HB3 1 1 4 696 1 1 9 MET HE1 H 8.726 -0.706 -0.464 1.00 . A A . 9 MET HE1 1 1 4 697 1 1 9 MET HE2 H 8.874 -1.388 1.154 1.00 . A A . 9 MET HE2 1 1 4 698 1 1 9 MET HE3 H 10.313 -0.822 0.310 1.00 . A A . 9 MET HE3 1 1 4 699 1 1 9 MET HG2 H 7.634 -0.156 2.754 1.00 . A A . 9 MET HG2 1 1 4 700 1 1 9 MET HG3 H 6.719 0.391 1.350 1.00 . A A . 9 MET HG3 1 1 4 701 1 1 9 MET N N 7.938 1.173 4.997 1.00 . A A . 9 MET N 1 1 4 702 1 1 9 MET O O 8.390 4.565 4.172 1.00 . A A . 9 MET O 1 1 4 703 1 1 9 MET SD S 9.032 1.003 1.188 1.00 . A A . 9 MET SD 1 1 4 704 1 1 10 TYR C C 6.119 5.957 4.999 1.00 . A A . 10 TYR C 1 1 4 705 1 1 10 TYR CA C 6.412 4.913 6.071 1.00 . A A . 10 TYR CA 1 1 4 706 1 1 10 TYR CB C 7.534 5.414 6.984 1.00 . A A . 10 TYR CB 1 1 4 707 1 1 10 TYR CD1 C 8.834 3.606 8.165 1.00 . A A . 10 TYR CD1 1 1 4 708 1 1 10 TYR CD2 C 6.779 4.409 9.169 1.00 . A A . 10 TYR CD2 1 1 4 709 1 1 10 TYR CE1 C 9.007 2.715 9.231 1.00 . A A . 10 TYR CE1 1 1 4 710 1 1 10 TYR CE2 C 6.952 3.519 10.235 1.00 . A A . 10 TYR CE2 1 1 4 711 1 1 10 TYR CG C 7.721 4.452 8.134 1.00 . A A . 10 TYR CG 1 1 4 712 1 1 10 TYR CZ C 8.067 2.672 10.268 1.00 . A A . 10 TYR CZ 1 1 4 713 1 1 10 TYR H H 6.304 2.829 5.706 1.00 . A A . 10 TYR H 1 1 4 714 1 1 10 TYR HA H 5.522 4.764 6.665 1.00 . A A . 10 TYR HA 1 1 4 715 1 1 10 TYR HB2 H 8.452 5.482 6.420 1.00 . A A . 10 TYR HB2 1 1 4 716 1 1 10 TYR HB3 H 7.275 6.389 7.369 1.00 . A A . 10 TYR HB3 1 1 4 717 1 1 10 TYR HD1 H 9.560 3.639 7.366 1.00 . A A . 10 TYR HD1 1 1 4 718 1 1 10 TYR HD2 H 5.919 5.061 9.144 1.00 . A A . 10 TYR HD2 1 1 4 719 1 1 10 TYR HE1 H 9.867 2.062 9.255 1.00 . A A . 10 TYR HE1 1 1 4 720 1 1 10 TYR HE2 H 6.227 3.486 11.035 1.00 . A A . 10 TYR HE2 1 1 4 721 1 1 10 TYR HH H 9.152 1.854 11.608 1.00 . A A . 10 TYR HH 1 1 4 722 1 1 10 TYR N N 6.784 3.645 5.455 1.00 . A A . 10 TYR N 1 1 4 723 1 1 10 TYR O O 6.281 7.156 5.224 1.00 . A A . 10 TYR O 1 1 4 724 1 1 10 TYR OH O 8.238 1.795 11.318 1.00 . A A . 10 TYR OH 1 1 5 725 1 1 1 LEU C C 5.475 4.805 1.625 1.00 . A A . 1 LEU C 1 1 5 726 1 1 1 LEU CA C 6.408 3.930 0.793 1.00 . A A . 1 LEU CA 1 1 5 727 1 1 1 LEU CB C 5.593 3.123 -0.220 1.00 . A A . 1 LEU CB 1 1 5 728 1 1 1 LEU CD1 C 5.395 2.687 -2.672 1.00 . A A . 1 LEU CD1 1 1 5 729 1 1 1 LEU CD2 C 4.859 4.949 -1.759 1.00 . A A . 1 LEU CD2 1 1 5 730 1 1 1 LEU CG C 5.768 3.727 -1.614 1.00 . A A . 1 LEU CG 1 1 5 731 1 1 1 LEU H1 H 6.687 2.360 2.187 1.00 . A A . 1 LEU H1 1 1 5 732 1 1 1 LEU HA H 7.098 4.566 0.259 1.00 . A A . 1 LEU HA 1 1 5 733 1 1 1 LEU HB2 H 5.937 2.100 -0.224 1.00 . A A . 1 LEU HB2 1 1 5 734 1 1 1 LEU HB3 H 4.548 3.152 0.052 1.00 . A A . 1 LEU HB3 1 1 5 735 1 1 1 LEU HD11 H 5.691 3.043 -3.647 1.00 . A A . 1 LEU HD11 1 1 5 736 1 1 1 LEU HD12 H 4.327 2.525 -2.656 1.00 . A A . 1 LEU HD12 1 1 5 737 1 1 1 LEU HD13 H 5.903 1.757 -2.458 1.00 . A A . 1 LEU HD13 1 1 5 738 1 1 1 LEU HD21 H 5.029 5.413 -2.719 1.00 . A A . 1 LEU HD21 1 1 5 739 1 1 1 LEU HD22 H 5.079 5.657 -0.973 1.00 . A A . 1 LEU HD22 1 1 5 740 1 1 1 LEU HD23 H 3.827 4.640 -1.687 1.00 . A A . 1 LEU HD23 1 1 5 741 1 1 1 LEU HG H 6.799 4.023 -1.751 1.00 . A A . 1 LEU HG 1 1 5 742 1 1 1 LEU N N 7.164 3.031 1.656 1.00 . A A . 1 LEU N 1 1 5 743 1 1 1 LEU O O 5.644 6.023 1.690 1.00 . A A . 1 LEU O 1 1 5 744 1 1 2 . C C 2.112 4.487 2.779 1.00 . A A . 2 DGL C 1 1 5 745 1 1 2 . CA C 3.544 4.909 3.093 1.00 . A A . 2 DGL CA 1 1 5 746 1 1 2 . CB C 3.842 4.661 4.572 1.00 . A A . 2 DGL CB 1 1 5 747 1 1 2 . CD C 5.519 5.013 6.395 1.00 . A A . 2 DGL CD 1 1 5 748 1 1 2 . CG C 5.187 5.293 4.933 1.00 . A A . 2 DGL CG 1 1 5 749 1 1 2 . H H 4.408 3.203 2.179 1.00 . A A . 2 DGL H 1 1 5 750 1 1 2 . HA H 3.648 5.965 2.891 1.00 . A A . 2 DGL HA 1 1 5 751 1 1 2 . HB2 H 3.061 5.100 5.176 1.00 . A A . 2 DGL HB2 1 1 5 752 1 1 2 . HB3 H 3.886 3.598 4.756 1.00 . A A . 2 DGL HB3 1 1 5 753 1 1 2 . HG2 H 5.960 4.876 4.304 1.00 . A A . 2 DGL HG2 1 1 5 754 1 1 2 . HG3 H 5.135 6.359 4.777 1.00 . A A . 2 DGL HG3 1 1 5 755 1 1 2 . N N 4.493 4.176 2.264 1.00 . A A . 2 DGL N 1 1 5 756 1 1 2 . O O 1.234 5.331 2.597 1.00 . A A . 2 DGL O 1 1 5 757 1 1 2 . OE1 O 4.730 4.346 7.044 1.00 . A A . 2 DGL OE1 1 1 5 758 1 1 2 . OE2 O 6.558 5.470 6.844 1.00 . A A . 2 DGL OE2 1 1 5 759 1 1 3 . C C 0.557 1.171 2.153 1.00 . A A . 3 DAR C 1 1 5 760 1 1 3 . CA C 0.538 2.676 2.427 1.00 . A A . 3 DAR CA 1 1 5 761 1 1 3 . CB C -0.393 2.966 3.606 1.00 . A A . 3 DAR CB 1 1 5 762 1 1 3 . CD C -2.558 2.404 2.486 1.00 . A A . 3 DAR CD 1 1 5 763 1 1 3 . CG C -1.718 3.531 3.089 1.00 . A A . 3 DAR CG 1 1 5 764 1 1 3 . CZ C -2.686 1.168 0.384 1.00 . A A . 3 DAR CZ 1 1 5 765 1 1 3 . H H 2.610 2.548 2.875 1.00 . A A . 3 DAR H 1 1 5 766 1 1 3 . HA H 0.158 3.184 1.554 1.00 . A A . 3 DAR HA 1 1 5 767 1 1 3 . HB2 H -0.579 2.053 4.151 1.00 . A A . 3 DAR HB2 1 1 5 768 1 1 3 . HB3 H 0.072 3.688 4.262 1.00 . A A . 3 DAR HB3 1 1 5 769 1 1 3 . HD2 H -2.400 1.498 3.051 1.00 . A A . 3 DAR HD2 1 1 5 770 1 1 3 . HD3 H -3.603 2.674 2.533 1.00 . A A . 3 DAR HD3 1 1 5 771 1 1 3 . HE H -1.532 2.779 0.673 1.00 . A A . 3 DAR HE 1 1 5 772 1 1 3 . HG2 H -2.259 3.986 3.906 1.00 . A A . 3 DAR HG2 1 1 5 773 1 1 3 . HG3 H -1.521 4.274 2.330 1.00 . A A . 3 DAR HG3 1 1 5 774 1 1 3 . HH11 H -1.652 1.628 -1.268 1.00 . A A . 3 DAR HH11 1 1 5 775 1 1 3 . HH12 H -2.693 0.247 -1.394 1.00 . A A . 3 DAR HH12 1 1 5 776 1 1 3 . HH21 H -3.846 0.459 1.864 1.00 . A A . 3 DAR HH21 1 1 5 777 1 1 3 . HH22 H -3.925 -0.408 0.369 1.00 . A A . 3 DAR HH22 1 1 5 778 1 1 3 . N N 1.876 3.179 2.719 1.00 . A A . 3 DAR N 1 1 5 779 1 1 3 . NE N -2.177 2.176 1.096 1.00 . A A . 3 DAR NE 1 1 5 780 1 1 3 . NH1 N -2.314 1.001 -0.856 1.00 . A A . 3 DAR NH1 1 1 5 781 1 1 3 . NH2 N -3.554 0.343 0.915 1.00 . A A . 3 DAR NH2 1 1 5 782 1 1 3 . O O -0.473 0.504 2.249 1.00 . A A . 3 DAR O 1 1 5 783 1 1 4 ARG C C 3.230 -1.305 1.869 1.00 . A A . 4 ARG C 1 1 5 784 1 1 4 ARG CA C 1.842 -0.784 1.508 1.00 . A A . 4 ARG CA 1 1 5 785 1 1 4 ARG CB C 1.569 -1.034 0.024 1.00 . A A . 4 ARG CB 1 1 5 786 1 1 4 ARG CD C 2.379 -0.610 -2.301 1.00 . A A . 4 ARG CD 1 1 5 787 1 1 4 ARG CG C 2.606 -0.292 -0.822 1.00 . A A . 4 ARG CG 1 1 5 788 1 1 4 ARG CZ C 2.427 -2.568 -3.759 1.00 . A A . 4 ARG CZ 1 1 5 789 1 1 4 ARG H H 2.516 1.214 1.730 1.00 . A A . 4 ARG H 1 1 5 790 1 1 4 ARG HA H 1.107 -1.321 2.090 1.00 . A A . 4 ARG HA 1 1 5 791 1 1 4 ARG HB2 H 1.630 -2.093 -0.180 1.00 . A A . 4 ARG HB2 1 1 5 792 1 1 4 ARG HB3 H 0.582 -0.676 -0.227 1.00 . A A . 4 ARG HB3 1 1 5 793 1 1 4 ARG HD2 H 1.355 -0.391 -2.560 1.00 . A A . 4 ARG HD2 1 1 5 794 1 1 4 ARG HD3 H 3.037 0.001 -2.902 1.00 . A A . 4 ARG HD3 1 1 5 795 1 1 4 ARG HE H 3.009 -2.579 -1.841 1.00 . A A . 4 ARG HE 1 1 5 796 1 1 4 ARG HG2 H 2.507 0.772 -0.662 1.00 . A A . 4 ARG HG2 1 1 5 797 1 1 4 ARG HG3 H 3.598 -0.609 -0.536 1.00 . A A . 4 ARG HG3 1 1 5 798 1 1 4 ARG HH11 H 1.746 -0.883 -4.614 1.00 . A A . 4 ARG HH11 1 1 5 799 1 1 4 ARG HH12 H 1.786 -2.279 -5.635 1.00 . A A . 4 ARG HH12 1 1 5 800 1 1 4 ARG HH21 H 3.052 -4.385 -3.197 1.00 . A A . 4 ARG HH21 1 1 5 801 1 1 4 ARG HH22 H 2.520 -4.250 -4.840 1.00 . A A . 4 ARG HH22 1 1 5 802 1 1 4 ARG N N 1.726 0.641 1.802 1.00 . A A . 4 ARG N 1 1 5 803 1 1 4 ARG NE N 2.651 -2.020 -2.563 1.00 . A A . 4 ARG NE 1 1 5 804 1 1 4 ARG NH1 N 1.949 -1.852 -4.746 1.00 . A A . 4 ARG NH1 1 1 5 805 1 1 4 ARG NH2 N 2.687 -3.833 -3.947 1.00 . A A . 4 ARG NH2 1 1 5 806 1 1 4 ARG O O 4.150 -0.529 2.125 1.00 . A A . 4 ARG O 1 1 5 807 1 1 5 TYR C C 5.066 -2.889 3.645 1.00 . A A . 5 TYR C 1 1 5 808 1 1 5 TYR CA C 4.643 -3.252 2.224 1.00 . A A . 5 TYR CA 1 1 5 809 1 1 5 TYR CB C 5.720 -2.799 1.236 1.00 . A A . 5 TYR CB 1 1 5 810 1 1 5 TYR CD1 C 7.991 -3.423 2.136 1.00 . A A . 5 TYR CD1 1 1 5 811 1 1 5 TYR CD2 C 6.911 -4.916 0.560 1.00 . A A . 5 TYR CD2 1 1 5 812 1 1 5 TYR CE1 C 9.087 -4.291 2.207 1.00 . A A . 5 TYR CE1 1 1 5 813 1 1 5 TYR CE2 C 8.006 -5.784 0.631 1.00 . A A . 5 TYR CE2 1 1 5 814 1 1 5 TYR CG C 6.903 -3.735 1.313 1.00 . A A . 5 TYR CG 1 1 5 815 1 1 5 TYR CZ C 9.095 -5.472 1.455 1.00 . A A . 5 TYR CZ 1 1 5 816 1 1 5 TYR H H 2.596 -3.194 1.680 1.00 . A A . 5 TYR H 1 1 5 817 1 1 5 TYR HA H 4.537 -4.324 2.155 1.00 . A A . 5 TYR HA 1 1 5 818 1 1 5 TYR HB2 H 5.316 -2.811 0.234 1.00 . A A . 5 TYR HB2 1 1 5 819 1 1 5 TYR HB3 H 6.038 -1.798 1.483 1.00 . A A . 5 TYR HB3 1 1 5 820 1 1 5 TYR HD1 H 7.985 -2.512 2.717 1.00 . A A . 5 TYR HD1 1 1 5 821 1 1 5 TYR HD2 H 6.071 -5.157 -0.075 1.00 . A A . 5 TYR HD2 1 1 5 822 1 1 5 TYR HE1 H 9.926 -4.051 2.843 1.00 . A A . 5 TYR HE1 1 1 5 823 1 1 5 TYR HE2 H 8.012 -6.695 0.051 1.00 . A A . 5 TYR HE2 1 1 5 824 1 1 5 TYR HH H 10.289 -6.587 2.442 1.00 . A A . 5 TYR HH 1 1 5 825 1 1 5 TYR N N 3.367 -2.628 1.890 1.00 . A A . 5 TYR N 1 1 5 826 1 1 5 TYR O O 6.084 -2.229 3.853 1.00 . A A . 5 TYR O 1 1 5 827 1 1 5 TYR OH O 10.175 -6.328 1.525 1.00 . A A . 5 TYR OH 1 1 5 828 1 1 6 DPR C C 4.059 -1.676 6.507 1.00 . A A . 6 DPR C 1 1 5 829 1 1 6 DPR CA C 4.580 -3.038 6.051 1.00 . A A . 6 DPR CA 1 1 5 830 1 1 6 DPR CB C 3.841 -4.169 6.763 1.00 . A A . 6 DPR CB 1 1 5 831 1 1 6 DPR CD C 3.073 -4.103 4.448 1.00 . A A . 6 DPR CD 1 1 5 832 1 1 6 DPR CG C 2.686 -4.509 5.875 1.00 . A A . 6 DPR CG 1 1 5 833 1 1 6 DPR HA H 5.637 -3.121 6.249 1.00 . A A . 6 DPR HA 1 1 5 834 1 1 6 DPR HB2 H 4.493 -5.025 6.881 1.00 . A A . 6 DPR HB2 1 1 5 835 1 1 6 DPR HB3 H 3.482 -3.835 7.724 1.00 . A A . 6 DPR HB3 1 1 5 836 1 1 6 DPR HD2 H 3.266 -4.981 3.845 1.00 . A A . 6 DPR HD2 1 1 5 837 1 1 6 DPR HD3 H 2.298 -3.499 4.002 1.00 . A A . 6 DPR HD3 1 1 5 838 1 1 6 DPR HG2 H 2.491 -5.573 5.920 1.00 . A A . 6 DPR HG2 1 1 5 839 1 1 6 DPR HG3 H 1.810 -3.960 6.182 1.00 . A A . 6 DPR HG3 1 1 5 840 1 1 6 DPR N N 4.300 -3.311 4.616 1.00 . A A . 6 DPR N 1 1 5 841 1 1 6 DPR O O 3.686 -1.503 7.668 1.00 . A A . 6 DPR O 1 1 5 842 1 1 7 ASP C C 4.301 1.170 7.137 1.00 . A A . 7 ASP C 1 1 5 843 1 1 7 ASP CA C 3.558 0.625 5.921 1.00 . A A . 7 ASP CA 1 1 5 844 1 1 7 ASP CB C 2.056 0.585 6.213 1.00 . A A . 7 ASP CB 1 1 5 845 1 1 7 ASP CG C 1.493 2.001 6.267 1.00 . A A . 7 ASP CG 1 1 5 846 1 1 7 ASP H H 4.344 -0.902 4.683 1.00 . A A . 7 ASP H 1 1 5 847 1 1 7 ASP HA H 3.734 1.278 5.080 1.00 . A A . 7 ASP HA 1 1 5 848 1 1 7 ASP HB2 H 1.556 0.029 5.433 1.00 . A A . 7 ASP HB2 1 1 5 849 1 1 7 ASP HB3 H 1.889 0.098 7.162 1.00 . A A . 7 ASP HB3 1 1 5 850 1 1 7 ASP N N 4.035 -0.712 5.593 1.00 . A A . 7 ASP N 1 1 5 851 1 1 7 ASP O O 3.707 1.805 8.008 1.00 . A A . 7 ASP O 1 1 5 852 1 1 7 ASP OD1 O 0.281 2.134 6.299 1.00 . A A . 7 ASP OD1 1 1 5 853 1 1 7 ASP OD2 O 2.281 2.932 6.273 1.00 . A A . 7 ASP OD2 1 1 5 854 1 1 8 THR C C 7.502 2.346 7.797 1.00 . A A . 8 THR C 1 1 5 855 1 1 8 THR CA C 6.422 1.392 8.299 1.00 . A A . 8 THR CA 1 1 5 856 1 1 8 THR CB C 7.073 0.202 9.011 1.00 . A A . 8 THR CB 1 1 5 857 1 1 8 THR CG2 C 7.832 0.689 10.247 1.00 . A A . 8 THR CG2 1 1 5 858 1 1 8 THR H H 6.027 0.409 6.464 1.00 . A A . 8 THR H 1 1 5 859 1 1 8 THR HA H 5.791 1.915 9.000 1.00 . A A . 8 THR HA 1 1 5 860 1 1 8 THR HB H 7.762 -0.285 8.339 1.00 . A A . 8 THR HB 1 1 5 861 1 1 8 THR HG1 H 5.397 -0.233 9.897 1.00 . A A . 8 THR HG1 1 1 5 862 1 1 8 THR HG21 H 7.224 1.398 10.789 1.00 . A A . 8 THR HG21 1 1 5 863 1 1 8 THR HG22 H 8.752 1.163 9.941 1.00 . A A . 8 THR HG22 1 1 5 864 1 1 8 THR HG23 H 8.057 -0.153 10.885 1.00 . A A . 8 THR HG23 1 1 5 865 1 1 8 THR N N 5.606 0.919 7.188 1.00 . A A . 8 THR N 1 1 5 866 1 1 8 THR O O 7.506 3.529 8.137 1.00 . A A . 8 THR O 1 1 5 867 1 1 8 THR OG1 O 6.065 -0.718 9.406 1.00 . A A . 8 THR OG1 1 1 5 868 1 1 9 MET C C 9.828 2.185 5.011 1.00 . A A . 9 MET C 1 1 5 869 1 1 9 MET CA C 9.490 2.638 6.427 1.00 . A A . 9 MET CA 1 1 5 870 1 1 9 MET CB C 10.738 2.535 7.308 1.00 . A A . 9 MET CB 1 1 5 871 1 1 9 MET CE C 13.102 4.008 8.816 1.00 . A A . 9 MET CE 1 1 5 872 1 1 9 MET CG C 10.497 3.263 8.632 1.00 . A A . 9 MET CG 1 1 5 873 1 1 9 MET H H 8.355 0.876 6.741 1.00 . A A . 9 MET H 1 1 5 874 1 1 9 MET HA H 9.170 3.669 6.398 1.00 . A A . 9 MET HA 1 1 5 875 1 1 9 MET HB2 H 10.955 1.495 7.503 1.00 . A A . 9 MET HB2 1 1 5 876 1 1 9 MET HB3 H 11.576 2.987 6.799 1.00 . A A . 9 MET HB3 1 1 5 877 1 1 9 MET HE1 H 13.564 3.406 8.044 1.00 . A A . 9 MET HE1 1 1 5 878 1 1 9 MET HE2 H 13.862 4.370 9.489 1.00 . A A . 9 MET HE2 1 1 5 879 1 1 9 MET HE3 H 12.591 4.847 8.366 1.00 . A A . 9 MET HE3 1 1 5 880 1 1 9 MET HG2 H 10.380 4.320 8.446 1.00 . A A . 9 MET HG2 1 1 5 881 1 1 9 MET HG3 H 9.603 2.880 9.098 1.00 . A A . 9 MET HG3 1 1 5 882 1 1 9 MET N N 8.412 1.824 6.981 1.00 . A A . 9 MET N 1 1 5 883 1 1 9 MET O O 10.869 1.570 4.778 1.00 . A A . 9 MET O 1 1 5 884 1 1 9 MET SD S 11.911 2.998 9.731 1.00 . A A . 9 MET SD 1 1 5 885 1 1 10 TYR C C 8.488 3.106 1.737 1.00 . A A . 10 TYR C 1 1 5 886 1 1 10 TYR CA C 9.164 2.112 2.676 1.00 . A A . 10 TYR CA 1 1 5 887 1 1 10 TYR CB C 8.609 0.708 2.420 1.00 . A A . 10 TYR CB 1 1 5 888 1 1 10 TYR CD1 C 10.544 -0.852 2.838 1.00 . A A . 10 TYR CD1 1 1 5 889 1 1 10 TYR CD2 C 8.817 -0.658 4.529 1.00 . A A . 10 TYR CD2 1 1 5 890 1 1 10 TYR CE1 C 11.222 -1.780 3.638 1.00 . A A . 10 TYR CE1 1 1 5 891 1 1 10 TYR CE2 C 9.495 -1.585 5.328 1.00 . A A . 10 TYR CE2 1 1 5 892 1 1 10 TYR CG C 9.342 -0.291 3.284 1.00 . A A . 10 TYR CG 1 1 5 893 1 1 10 TYR CZ C 10.698 -2.146 4.883 1.00 . A A . 10 TYR CZ 1 1 5 894 1 1 10 TYR H H 8.134 2.986 4.310 1.00 . A A . 10 TYR H 1 1 5 895 1 1 10 TYR HA H 10.225 2.109 2.476 1.00 . A A . 10 TYR HA 1 1 5 896 1 1 10 TYR HB2 H 7.556 0.688 2.661 1.00 . A A . 10 TYR HB2 1 1 5 897 1 1 10 TYR HB3 H 8.745 0.452 1.380 1.00 . A A . 10 TYR HB3 1 1 5 898 1 1 10 TYR HD1 H 10.949 -0.569 1.878 1.00 . A A . 10 TYR HD1 1 1 5 899 1 1 10 TYR HD2 H 7.889 -0.226 4.873 1.00 . A A . 10 TYR HD2 1 1 5 900 1 1 10 TYR HE1 H 12.150 -2.212 3.294 1.00 . A A . 10 TYR HE1 1 1 5 901 1 1 10 TYR HE2 H 9.091 -1.868 6.289 1.00 . A A . 10 TYR HE2 1 1 5 902 1 1 10 TYR HH H 11.509 -3.853 5.150 1.00 . A A . 10 TYR HH 1 1 5 903 1 1 10 TYR N N 8.945 2.494 4.067 1.00 . A A . 10 TYR N 1 1 5 904 1 1 10 TYR O O 9.153 3.925 1.102 1.00 . A A . 10 TYR O 1 1 5 905 1 1 10 TYR OH O 11.367 -3.061 5.671 1.00 . A A . 10 TYR OH 1 1 6 906 1 1 1 LEU C C 4.852 5.733 1.456 1.00 . A A . 1 LEU C 1 1 6 907 1 1 1 LEU CA C 5.097 5.497 2.944 1.00 . A A . 1 LEU CA 1 1 6 908 1 1 1 LEU CB C 4.789 6.776 3.725 1.00 . A A . 1 LEU CB 1 1 6 909 1 1 1 LEU CD1 C 3.532 5.668 5.584 1.00 . A A . 1 LEU CD1 1 1 6 910 1 1 1 LEU CD2 C 2.988 8.017 4.929 1.00 . A A . 1 LEU CD2 1 1 6 911 1 1 1 LEU CG C 3.427 6.646 4.411 1.00 . A A . 1 LEU CG 1 1 6 912 1 1 1 LEU H1 H 7.168 5.341 2.520 1.00 . A A . 1 LEU H1 1 1 6 913 1 1 1 LEU HA H 4.442 4.711 3.286 1.00 . A A . 1 LEU HA 1 1 6 914 1 1 1 LEU HB2 H 5.555 6.934 4.470 1.00 . A A . 1 LEU HB2 1 1 6 915 1 1 1 LEU HB3 H 4.768 7.615 3.046 1.00 . A A . 1 LEU HB3 1 1 6 916 1 1 1 LEU HD11 H 3.613 4.660 5.207 1.00 . A A . 1 LEU HD11 1 1 6 917 1 1 1 LEU HD12 H 2.651 5.750 6.203 1.00 . A A . 1 LEU HD12 1 1 6 918 1 1 1 LEU HD13 H 4.409 5.903 6.171 1.00 . A A . 1 LEU HD13 1 1 6 919 1 1 1 LEU HD21 H 3.661 8.340 5.710 1.00 . A A . 1 LEU HD21 1 1 6 920 1 1 1 LEU HD22 H 1.985 7.949 5.324 1.00 . A A . 1 LEU HD22 1 1 6 921 1 1 1 LEU HD23 H 3.007 8.732 4.119 1.00 . A A . 1 LEU HD23 1 1 6 922 1 1 1 LEU HG H 2.701 6.277 3.701 1.00 . A A . 1 LEU HG 1 1 6 923 1 1 1 LEU N N 6.481 5.095 3.174 1.00 . A A . 1 LEU N 1 1 6 924 1 1 1 LEU O O 5.640 6.401 0.786 1.00 . A A . 1 LEU O 1 1 6 925 1 1 2 . C C 2.964 4.015 -1.075 1.00 . A A . 2 DGL C 1 1 6 926 1 1 2 . CA C 3.417 5.341 -0.465 1.00 . A A . 2 DGL CA 1 1 6 927 1 1 2 . CB C 2.306 6.383 -0.632 1.00 . A A . 2 DGL CB 1 1 6 928 1 1 2 . CD C 3.078 8.259 0.849 1.00 . A A . 2 DGL CD 1 1 6 929 1 1 2 . CG C 2.907 7.792 -0.593 1.00 . A A . 2 DGL CG 1 1 6 930 1 1 2 . H H 3.164 4.663 1.529 1.00 . A A . 2 DGL H 1 1 6 931 1 1 2 . HA H 4.293 5.684 -0.995 1.00 . A A . 2 DGL HA 1 1 6 932 1 1 2 . HB2 H 1.809 6.230 -1.578 1.00 . A A . 2 DGL HB2 1 1 6 933 1 1 2 . HB3 H 1.590 6.278 0.171 1.00 . A A . 2 DGL HB3 1 1 6 934 1 1 2 . HG2 H 3.870 7.782 -1.082 1.00 . A A . 2 DGL HG2 1 1 6 935 1 1 2 . HG3 H 2.250 8.474 -1.114 1.00 . A A . 2 DGL HG3 1 1 6 936 1 1 2 . N N 3.755 5.182 0.946 1.00 . A A . 2 DGL N 1 1 6 937 1 1 2 . O O 3.082 3.810 -2.284 1.00 . A A . 2 DGL O 1 1 6 938 1 1 2 . OE1 O 2.766 7.492 1.743 1.00 . A A . 2 DGL OE1 1 1 6 939 1 1 2 . OE2 O 3.518 9.381 1.038 1.00 . A A . 2 DGL OE2 1 1 6 940 1 1 3 . C C 1.527 0.956 0.465 1.00 . A A . 3 DAR C 1 1 6 941 1 1 3 . CA C 1.980 1.818 -0.710 1.00 . A A . 3 DAR CA 1 1 6 942 1 1 3 . CB C 0.816 2.007 -1.688 1.00 . A A . 3 DAR CB 1 1 6 943 1 1 3 . CD C -1.521 2.854 -1.938 1.00 . A A . 3 DAR CD 1 1 6 944 1 1 3 . CG C -0.347 2.695 -0.970 1.00 . A A . 3 DAR CG 1 1 6 945 1 1 3 . CZ C -3.764 3.820 -1.924 1.00 . A A . 3 DAR CZ 1 1 6 946 1 1 3 . H H 2.377 3.335 0.714 1.00 . A A . 3 DAR H 1 1 6 947 1 1 3 . HA H 2.788 1.319 -1.222 1.00 . A A . 3 DAR HA 1 1 6 948 1 1 3 . HB2 H 1.138 2.616 -2.519 1.00 . A A . 3 DAR HB2 1 1 6 949 1 1 3 . HB3 H 0.492 1.044 -2.051 1.00 . A A . 3 DAR HB3 1 1 6 950 1 1 3 . HD2 H -1.199 3.414 -2.803 1.00 . A A . 3 DAR HD2 1 1 6 951 1 1 3 . HD3 H -1.860 1.877 -2.250 1.00 . A A . 3 DAR HD3 1 1 6 952 1 1 3 . HE H -2.512 3.860 -0.360 1.00 . A A . 3 DAR HE 1 1 6 953 1 1 3 . HG2 H -0.654 2.098 -0.125 1.00 . A A . 3 DAR HG2 1 1 6 954 1 1 3 . HG3 H -0.033 3.669 -0.628 1.00 . A A . 3 DAR HG3 1 1 6 955 1 1 3 . HH11 H -4.589 4.750 -0.354 1.00 . A A . 3 DAR HH11 1 1 6 956 1 1 3 . HH12 H -5.578 4.651 -1.772 1.00 . A A . 3 DAR HH12 1 1 6 957 1 1 3 . HH21 H -3.220 2.952 -3.652 1.00 . A A . 3 DAR HH21 1 1 6 958 1 1 3 . HH22 H -4.806 3.639 -3.626 1.00 . A A . 3 DAR HH22 1 1 6 959 1 1 3 . N N 2.447 3.118 -0.237 1.00 . A A . 3 DAR N 1 1 6 960 1 1 3 . NE N -2.619 3.564 -1.288 1.00 . A A . 3 DAR NE 1 1 6 961 1 1 3 . NH1 N -4.718 4.456 -1.301 1.00 . A A . 3 DAR NH1 1 1 6 962 1 1 3 . NH2 N -3.941 3.440 -3.164 1.00 . A A . 3 DAR NH2 1 1 6 963 1 1 3 . O O 1.761 1.301 1.624 1.00 . A A . 3 DAR O 1 1 6 964 1 1 4 ARG C C 1.405 -2.200 1.438 1.00 . A A . 4 ARG C 1 1 6 965 1 1 4 ARG CA C 0.410 -1.066 1.212 1.00 . A A . 4 ARG CA 1 1 6 966 1 1 4 ARG CB C -0.952 -1.653 0.832 1.00 . A A . 4 ARG CB 1 1 6 967 1 1 4 ARG CD C -3.280 -1.085 0.122 1.00 . A A . 4 ARG CD 1 1 6 968 1 1 4 ARG CG C -1.979 -0.527 0.700 1.00 . A A . 4 ARG CG 1 1 6 969 1 1 4 ARG CZ C -4.036 -2.162 -1.935 1.00 . A A . 4 ARG CZ 1 1 6 970 1 1 4 ARG H H 0.724 -0.399 -0.776 1.00 . A A . 4 ARG H 1 1 6 971 1 1 4 ARG HA H 0.303 -0.507 2.129 1.00 . A A . 4 ARG HA 1 1 6 972 1 1 4 ARG HB2 H -0.868 -2.175 -0.111 1.00 . A A . 4 ARG HB2 1 1 6 973 1 1 4 ARG HB3 H -1.274 -2.343 1.598 1.00 . A A . 4 ARG HB3 1 1 6 974 1 1 4 ARG HD2 H -3.619 -1.907 0.733 1.00 . A A . 4 ARG HD2 1 1 6 975 1 1 4 ARG HD3 H -4.032 -0.309 0.120 1.00 . A A . 4 ARG HD3 1 1 6 976 1 1 4 ARG HE H -2.191 -1.429 -1.662 1.00 . A A . 4 ARG HE 1 1 6 977 1 1 4 ARG HG2 H -2.170 -0.099 1.673 1.00 . A A . 4 ARG HG2 1 1 6 978 1 1 4 ARG HG3 H -1.593 0.236 0.041 1.00 . A A . 4 ARG HG3 1 1 6 979 1 1 4 ARG HH11 H -5.412 -2.047 -0.477 1.00 . A A . 4 ARG HH11 1 1 6 980 1 1 4 ARG HH12 H -5.933 -2.806 -1.940 1.00 . A A . 4 ARG HH12 1 1 6 981 1 1 4 ARG HH21 H -2.899 -2.423 -3.563 1.00 . A A . 4 ARG HH21 1 1 6 982 1 1 4 ARG HH22 H -4.523 -3.019 -3.678 1.00 . A A . 4 ARG HH22 1 1 6 983 1 1 4 ARG N N 0.882 -0.169 0.163 1.00 . A A . 4 ARG N 1 1 6 984 1 1 4 ARG NE N -3.067 -1.558 -1.243 1.00 . A A . 4 ARG NE 1 1 6 985 1 1 4 ARG NH1 N -5.218 -2.352 -1.408 1.00 . A A . 4 ARG NH1 1 1 6 986 1 1 4 ARG NH2 N -3.801 -2.566 -3.155 1.00 . A A . 4 ARG NH2 1 1 6 987 1 1 4 ARG O O 1.307 -3.259 0.818 1.00 . A A . 4 ARG O 1 1 6 988 1 1 5 TYR C C 3.740 -2.895 4.122 1.00 . A A . 5 TYR C 1 1 6 989 1 1 5 TYR CA C 3.361 -2.980 2.649 1.00 . A A . 5 TYR CA 1 1 6 990 1 1 5 TYR CB C 4.605 -2.768 1.783 1.00 . A A . 5 TYR CB 1 1 6 991 1 1 5 TYR CD1 C 5.321 -5.086 1.098 1.00 . A A . 5 TYR CD1 1 1 6 992 1 1 5 TYR CD2 C 6.568 -3.947 2.838 1.00 . A A . 5 TYR CD2 1 1 6 993 1 1 5 TYR CE1 C 6.169 -6.194 1.214 1.00 . A A . 5 TYR CE1 1 1 6 994 1 1 5 TYR CE2 C 7.417 -5.055 2.955 1.00 . A A . 5 TYR CE2 1 1 6 995 1 1 5 TYR CG C 5.520 -3.963 1.910 1.00 . A A . 5 TYR CG 1 1 6 996 1 1 5 TYR CZ C 7.217 -6.178 2.143 1.00 . A A . 5 TYR CZ 1 1 6 997 1 1 5 TYR H H 2.379 -1.111 2.806 1.00 . A A . 5 TYR H 1 1 6 998 1 1 5 TYR HA H 2.955 -3.959 2.445 1.00 . A A . 5 TYR HA 1 1 6 999 1 1 5 TYR HB2 H 4.309 -2.649 0.751 1.00 . A A . 5 TYR HB2 1 1 6 1000 1 1 5 TYR HB3 H 5.126 -1.882 2.112 1.00 . A A . 5 TYR HB3 1 1 6 1001 1 1 5 TYR HD1 H 4.512 -5.098 0.381 1.00 . A A . 5 TYR HD1 1 1 6 1002 1 1 5 TYR HD2 H 6.721 -3.081 3.465 1.00 . A A . 5 TYR HD2 1 1 6 1003 1 1 5 TYR HE1 H 6.016 -7.060 0.588 1.00 . A A . 5 TYR HE1 1 1 6 1004 1 1 5 TYR HE2 H 8.225 -5.043 3.671 1.00 . A A . 5 TYR HE2 1 1 6 1005 1 1 5 TYR HH H 7.510 -8.046 2.400 1.00 . A A . 5 TYR HH 1 1 6 1006 1 1 5 TYR N N 2.356 -1.972 2.337 1.00 . A A . 5 TYR N 1 1 6 1007 1 1 5 TYR O O 4.825 -2.429 4.469 1.00 . A A . 5 TYR O 1 1 6 1008 1 1 5 TYR OH O 8.054 -7.269 2.257 1.00 . A A . 5 TYR OH 1 1 6 1009 1 1 6 DPR C C 3.677 -1.953 6.907 1.00 . A A . 6 DPR C 1 1 6 1010 1 1 6 DPR CA C 3.099 -3.293 6.456 1.00 . A A . 6 DPR CA 1 1 6 1011 1 1 6 DPR CB C 1.709 -3.519 7.051 1.00 . A A . 6 DPR CB 1 1 6 1012 1 1 6 DPR CD C 1.548 -3.895 4.655 1.00 . A A . 6 DPR CD 1 1 6 1013 1 1 6 DPR CG C 0.949 -4.276 6.011 1.00 . A A . 6 DPR CG 1 1 6 1014 1 1 6 DPR HA H 3.753 -4.099 6.750 1.00 . A A . 6 DPR HA 1 1 6 1015 1 1 6 DPR HB2 H 1.783 -4.099 7.961 1.00 . A A . 6 DPR HB2 1 1 6 1016 1 1 6 DPR HB3 H 1.226 -2.574 7.245 1.00 . A A . 6 DPR HB3 1 1 6 1017 1 1 6 DPR HD2 H 1.657 -4.772 4.031 1.00 . A A . 6 DPR HD2 1 1 6 1018 1 1 6 DPR HD3 H 0.935 -3.154 4.164 1.00 . A A . 6 DPR HD3 1 1 6 1019 1 1 6 DPR HG2 H 1.054 -5.339 6.180 1.00 . A A . 6 DPR HG2 1 1 6 1020 1 1 6 DPR HG3 H -0.092 -3.997 6.038 1.00 . A A . 6 DPR HG3 1 1 6 1021 1 1 6 DPR N N 2.863 -3.327 4.987 1.00 . A A . 6 DPR N 1 1 6 1022 1 1 6 DPR O O 3.139 -0.894 6.583 1.00 . A A . 6 DPR O 1 1 6 1023 1 1 7 ASP C C 6.933 -0.978 8.184 1.00 . A A . 7 ASP C 1 1 6 1024 1 1 7 ASP CA C 5.419 -0.792 8.137 1.00 . A A . 7 ASP CA 1 1 6 1025 1 1 7 ASP CB C 4.899 -0.450 9.535 1.00 . A A . 7 ASP CB 1 1 6 1026 1 1 7 ASP CG C 5.491 0.873 10.013 1.00 . A A . 7 ASP CG 1 1 6 1027 1 1 7 ASP H H 5.160 -2.880 7.875 1.00 . A A . 7 ASP H 1 1 6 1028 1 1 7 ASP HA H 5.184 0.022 7.467 1.00 . A A . 7 ASP HA 1 1 6 1029 1 1 7 ASP HB2 H 3.822 -0.368 9.506 1.00 . A A . 7 ASP HB2 1 1 6 1030 1 1 7 ASP HB3 H 5.178 -1.235 10.222 1.00 . A A . 7 ASP HB3 1 1 6 1031 1 1 7 ASP N N 4.775 -2.008 7.651 1.00 . A A . 7 ASP N 1 1 6 1032 1 1 7 ASP O O 7.458 -1.638 9.080 1.00 . A A . 7 ASP O 1 1 6 1033 1 1 7 ASP OD1 O 5.116 1.312 11.088 1.00 . A A . 7 ASP OD1 1 1 6 1034 1 1 7 ASP OD2 O 6.306 1.432 9.298 1.00 . A A . 7 ASP OD2 1 1 6 1035 1 1 8 THR C C 9.726 0.856 6.904 1.00 . A A . 8 THR C 1 1 6 1036 1 1 8 THR CA C 9.085 -0.505 7.167 1.00 . A A . 8 THR CA 1 1 6 1037 1 1 8 THR CB C 9.497 -1.495 6.072 1.00 . A A . 8 THR CB 1 1 6 1038 1 1 8 THR CG2 C 8.807 -1.126 4.758 1.00 . A A . 8 THR CG2 1 1 6 1039 1 1 8 THR H H 7.164 0.124 6.526 1.00 . A A . 8 THR H 1 1 6 1040 1 1 8 THR HA H 9.436 -0.876 8.118 1.00 . A A . 8 THR HA 1 1 6 1041 1 1 8 THR HB H 9.201 -2.491 6.361 1.00 . A A . 8 THR HB 1 1 6 1042 1 1 8 THR HG1 H 11.129 -0.652 5.421 1.00 . A A . 8 THR HG1 1 1 6 1043 1 1 8 THR HG21 H 9.104 -0.132 4.461 1.00 . A A . 8 THR HG21 1 1 6 1044 1 1 8 THR HG22 H 7.737 -1.157 4.892 1.00 . A A . 8 THR HG22 1 1 6 1045 1 1 8 THR HG23 H 9.094 -1.831 3.992 1.00 . A A . 8 THR HG23 1 1 6 1046 1 1 8 THR N N 7.632 -0.391 7.215 1.00 . A A . 8 THR N 1 1 6 1047 1 1 8 THR O O 10.457 1.032 5.930 1.00 . A A . 8 THR O 1 1 6 1048 1 1 8 THR OG1 O 10.909 -1.453 5.903 1.00 . A A . 8 THR OG1 1 1 6 1049 1 1 9 MET C C 9.813 3.694 6.242 1.00 . A A . 9 MET C 1 1 6 1050 1 1 9 MET CA C 10.021 3.150 7.652 1.00 . A A . 9 MET CA 1 1 6 1051 1 1 9 MET CB C 11.519 3.114 7.964 1.00 . A A . 9 MET CB 1 1 6 1052 1 1 9 MET CE C 11.305 2.530 12.036 1.00 . A A . 9 MET CE 1 1 6 1053 1 1 9 MET CG C 11.741 2.519 9.357 1.00 . A A . 9 MET CG 1 1 6 1054 1 1 9 MET H H 8.874 1.609 8.549 1.00 . A A . 9 MET H 1 1 6 1055 1 1 9 MET HA H 9.535 3.807 8.355 1.00 . A A . 9 MET HA 1 1 6 1056 1 1 9 MET HB2 H 12.023 2.506 7.227 1.00 . A A . 9 MET HB2 1 1 6 1057 1 1 9 MET HB3 H 11.916 4.116 7.935 1.00 . A A . 9 MET HB3 1 1 6 1058 1 1 9 MET HE1 H 10.755 1.603 11.950 1.00 . A A . 9 MET HE1 1 1 6 1059 1 1 9 MET HE2 H 11.004 3.042 12.936 1.00 . A A . 9 MET HE2 1 1 6 1060 1 1 9 MET HE3 H 12.366 2.324 12.079 1.00 . A A . 9 MET HE3 1 1 6 1061 1 1 9 MET HG2 H 11.310 1.530 9.398 1.00 . A A . 9 MET HG2 1 1 6 1062 1 1 9 MET HG3 H 12.800 2.458 9.556 1.00 . A A . 9 MET HG3 1 1 6 1063 1 1 9 MET N N 9.457 1.810 7.788 1.00 . A A . 9 MET N 1 1 6 1064 1 1 9 MET O O 10.737 4.240 5.638 1.00 . A A . 9 MET O 1 1 6 1065 1 1 9 MET SD S 10.952 3.573 10.599 1.00 . A A . 9 MET SD 1 1 6 1066 1 1 10 TYR C C 6.824 4.400 4.253 1.00 . A A . 10 TYR C 1 1 6 1067 1 1 10 TYR CA C 8.302 4.038 4.377 1.00 . A A . 10 TYR CA 1 1 6 1068 1 1 10 TYR CB C 8.656 2.972 3.340 1.00 . A A . 10 TYR CB 1 1 6 1069 1 1 10 TYR CD1 C 6.745 2.498 1.769 1.00 . A A . 10 TYR CD1 1 1 6 1070 1 1 10 TYR CD2 C 6.921 1.207 3.814 1.00 . A A . 10 TYR CD2 1 1 6 1071 1 1 10 TYR CE1 C 5.588 1.793 1.422 1.00 . A A . 10 TYR CE1 1 1 6 1072 1 1 10 TYR CE2 C 5.764 0.499 3.466 1.00 . A A . 10 TYR CE2 1 1 6 1073 1 1 10 TYR CG C 7.412 2.205 2.965 1.00 . A A . 10 TYR CG 1 1 6 1074 1 1 10 TYR CZ C 5.096 0.793 2.270 1.00 . A A . 10 TYR CZ 1 1 6 1075 1 1 10 TYR H H 7.898 3.108 6.241 1.00 . A A . 10 TYR H 1 1 6 1076 1 1 10 TYR HA H 8.895 4.920 4.187 1.00 . A A . 10 TYR HA 1 1 6 1077 1 1 10 TYR HB2 H 9.067 3.447 2.461 1.00 . A A . 10 TYR HB2 1 1 6 1078 1 1 10 TYR HB3 H 9.384 2.291 3.757 1.00 . A A . 10 TYR HB3 1 1 6 1079 1 1 10 TYR HD1 H 7.123 3.270 1.114 1.00 . A A . 10 TYR HD1 1 1 6 1080 1 1 10 TYR HD2 H 7.437 0.980 4.735 1.00 . A A . 10 TYR HD2 1 1 6 1081 1 1 10 TYR HE1 H 5.072 2.019 0.500 1.00 . A A . 10 TYR HE1 1 1 6 1082 1 1 10 TYR HE2 H 5.386 -0.272 4.120 1.00 . A A . 10 TYR HE2 1 1 6 1083 1 1 10 TYR HH H 4.072 -0.243 1.039 1.00 . A A . 10 TYR HH 1 1 6 1084 1 1 10 TYR N N 8.600 3.548 5.718 1.00 . A A . 10 TYR N 1 1 6 1085 1 1 10 TYR O O 6.016 4.053 5.114 1.00 . A A . 10 TYR O 1 1 6 1086 1 1 10 TYR OH O 3.955 0.099 1.927 1.00 . A A . 10 TYR OH 1 1 7 1087 1 1 1 LEU C C 4.853 5.476 1.156 1.00 . A A . 1 LEU C 1 1 7 1088 1 1 1 LEU CA C 4.782 5.970 2.600 1.00 . A A . 1 LEU CA 1 1 7 1089 1 1 1 LEU CB C 5.933 6.946 2.870 1.00 . A A . 1 LEU CB 1 1 7 1090 1 1 1 LEU CD1 C 4.580 8.874 2.013 1.00 . A A . 1 LEU CD1 1 1 7 1091 1 1 1 LEU CD2 C 7.067 9.046 2.135 1.00 . A A . 1 LEU CD2 1 1 7 1092 1 1 1 LEU CG C 5.893 8.102 1.864 1.00 . A A . 1 LEU CG 1 1 7 1093 1 1 1 LEU H1 H 5.017 3.947 3.195 1.00 . A A . 1 LEU H1 1 1 7 1094 1 1 1 LEU HA H 3.845 6.484 2.747 1.00 . A A . 1 LEU HA 1 1 7 1095 1 1 1 LEU HB2 H 5.840 7.339 3.872 1.00 . A A . 1 LEU HB2 1 1 7 1096 1 1 1 LEU HB3 H 6.873 6.424 2.776 1.00 . A A . 1 LEU HB3 1 1 7 1097 1 1 1 LEU HD11 H 4.408 9.093 3.057 1.00 . A A . 1 LEU HD11 1 1 7 1098 1 1 1 LEU HD12 H 3.766 8.276 1.631 1.00 . A A . 1 LEU HD12 1 1 7 1099 1 1 1 LEU HD13 H 4.640 9.798 1.456 1.00 . A A . 1 LEU HD13 1 1 7 1100 1 1 1 LEU HD21 H 7.058 9.847 1.411 1.00 . A A . 1 LEU HD21 1 1 7 1101 1 1 1 LEU HD22 H 7.995 8.499 2.054 1.00 . A A . 1 LEU HD22 1 1 7 1102 1 1 1 LEU HD23 H 6.976 9.458 3.128 1.00 . A A . 1 LEU HD23 1 1 7 1103 1 1 1 LEU HG H 5.969 7.712 0.860 1.00 . A A . 1 LEU HG 1 1 7 1104 1 1 1 LEU N N 4.854 4.851 3.534 1.00 . A A . 1 LEU N 1 1 7 1105 1 1 1 LEU O O 5.851 4.888 0.740 1.00 . A A . 1 LEU O 1 1 7 1106 1 1 2 . C C 4.175 3.868 -1.165 1.00 . A A . 2 DGL C 1 1 7 1107 1 1 2 . CA C 3.731 5.319 -1.001 1.00 . A A . 2 DGL CA 1 1 7 1108 1 1 2 . CB C 2.304 5.479 -1.531 1.00 . A A . 2 DGL CB 1 1 7 1109 1 1 2 . CD C 2.635 7.268 -3.253 1.00 . A A . 2 DGL CD 1 1 7 1110 1 1 2 . CG C 2.348 5.787 -3.029 1.00 . A A . 2 DGL CG 1 1 7 1111 1 1 2 . H H 3.026 6.208 0.791 1.00 . A A . 2 DGL H 1 1 7 1112 1 1 2 . HA H 4.388 5.952 -1.577 1.00 . A A . 2 DGL HA 1 1 7 1113 1 1 2 . HB2 H 1.755 4.562 -1.367 1.00 . A A . 2 DGL HB2 1 1 7 1114 1 1 2 . HB3 H 1.816 6.289 -1.012 1.00 . A A . 2 DGL HB3 1 1 7 1115 1 1 2 . HG2 H 3.126 5.198 -3.493 1.00 . A A . 2 DGL HG2 1 1 7 1116 1 1 2 . HG3 H 1.397 5.536 -3.474 1.00 . A A . 2 DGL HG3 1 1 7 1117 1 1 2 . N N 3.787 5.729 0.400 1.00 . A A . 2 DGL N 1 1 7 1118 1 1 2 . O O 4.891 3.534 -2.109 1.00 . A A . 2 DGL O 1 1 7 1119 1 1 2 . OE1 O 2.224 8.063 -2.423 1.00 . A A . 2 DGL OE1 1 1 7 1120 1 1 2 . OE2 O 3.260 7.586 -4.251 1.00 . A A . 2 DGL OE2 1 1 7 1121 1 1 3 . C C 3.555 0.855 0.905 1.00 . A A . 3 DAR C 1 1 7 1122 1 1 3 . CA C 4.104 1.600 -0.305 1.00 . A A . 3 DAR CA 1 1 7 1123 1 1 3 . CB C 3.548 0.973 -1.586 1.00 . A A . 3 DAR CB 1 1 7 1124 1 1 3 . CD C 5.499 0.439 -3.054 1.00 . A A . 3 DAR CD 1 1 7 1125 1 1 3 . CG C 4.488 -0.137 -2.061 1.00 . A A . 3 DAR CG 1 1 7 1126 1 1 3 . CZ C 7.253 -0.384 -4.539 1.00 . A A . 3 DAR CZ 1 1 7 1127 1 1 3 . H H 3.174 3.333 0.484 1.00 . A A . 3 DAR H 1 1 7 1128 1 1 3 . HA H 5.180 1.513 -0.314 1.00 . A A . 3 DAR HA 1 1 7 1129 1 1 3 . HB2 H 2.571 0.558 -1.388 1.00 . A A . 3 DAR HB2 1 1 7 1130 1 1 3 . HB3 H 3.470 1.728 -2.353 1.00 . A A . 3 DAR HB3 1 1 7 1131 1 1 3 . HD2 H 4.973 0.967 -3.835 1.00 . A A . 3 DAR HD2 1 1 7 1132 1 1 3 . HD3 H 6.153 1.128 -2.538 1.00 . A A . 3 DAR HD3 1 1 7 1133 1 1 3 . HE H 6.114 -1.560 -3.383 1.00 . A A . 3 DAR HE 1 1 7 1134 1 1 3 . HG2 H 5.012 -0.552 -1.213 1.00 . A A . 3 DAR HG2 1 1 7 1135 1 1 3 . HG3 H 3.914 -0.912 -2.546 1.00 . A A . 3 DAR HG3 1 1 7 1136 1 1 3 . HH11 H 7.739 -2.313 -4.760 1.00 . A A . 3 DAR HH11 1 1 7 1137 1 1 3 . HH12 H 8.658 -1.196 -5.712 1.00 . A A . 3 DAR HH12 1 1 7 1138 1 1 3 . HH21 H 7.002 1.609 -4.538 1.00 . A A . 3 DAR HH21 1 1 7 1139 1 1 3 . HH22 H 8.241 1.011 -5.586 1.00 . A A . 3 DAR HH22 1 1 7 1140 1 1 3 . N N 3.744 3.012 -0.245 1.00 . A A . 3 DAR N 1 1 7 1141 1 1 3 . NE N 6.292 -0.633 -3.648 1.00 . A A . 3 DAR NE 1 1 7 1142 1 1 3 . NH1 N 7.936 -1.375 -5.043 1.00 . A A . 3 DAR NH1 1 1 7 1143 1 1 3 . NH2 N 7.518 0.841 -4.916 1.00 . A A . 3 DAR NH2 1 1 7 1144 1 1 3 . O O 2.968 -0.219 0.771 1.00 . A A . 3 DAR O 1 1 7 1145 1 1 4 ARG C C 4.012 -0.492 3.591 1.00 . A A . 4 ARG C 1 1 7 1146 1 1 4 ARG CA C 3.279 0.824 3.326 1.00 . A A . 4 ARG CA 1 1 7 1147 1 1 4 ARG CB C 1.764 0.583 3.257 1.00 . A A . 4 ARG CB 1 1 7 1148 1 1 4 ARG CD C 1.128 2.988 3.485 1.00 . A A . 4 ARG CD 1 1 7 1149 1 1 4 ARG CG C 1.048 1.608 4.138 1.00 . A A . 4 ARG CG 1 1 7 1150 1 1 4 ARG CZ C 0.308 4.078 1.460 1.00 . A A . 4 ARG CZ 1 1 7 1151 1 1 4 ARG H H 4.228 2.290 2.126 1.00 . A A . 4 ARG H 1 1 7 1152 1 1 4 ARG HA H 3.482 1.501 4.142 1.00 . A A . 4 ARG HA 1 1 7 1153 1 1 4 ARG HB2 H 1.426 0.687 2.237 1.00 . A A . 4 ARG HB2 1 1 7 1154 1 1 4 ARG HB3 H 1.538 -0.410 3.612 1.00 . A A . 4 ARG HB3 1 1 7 1155 1 1 4 ARG HD2 H 0.771 3.733 4.180 1.00 . A A . 4 ARG HD2 1 1 7 1156 1 1 4 ARG HD3 H 2.155 3.203 3.228 1.00 . A A . 4 ARG HD3 1 1 7 1157 1 1 4 ARG HE H -0.260 2.254 2.064 1.00 . A A . 4 ARG HE 1 1 7 1158 1 1 4 ARG HG2 H 0.013 1.321 4.253 1.00 . A A . 4 ARG HG2 1 1 7 1159 1 1 4 ARG HG3 H 1.522 1.642 5.108 1.00 . A A . 4 ARG HG3 1 1 7 1160 1 1 4 ARG HH11 H 1.634 5.146 2.528 1.00 . A A . 4 ARG HH11 1 1 7 1161 1 1 4 ARG HH12 H 1.042 5.905 1.090 1.00 . A A . 4 ARG HH12 1 1 7 1162 1 1 4 ARG HH21 H -1.015 3.270 0.193 1.00 . A A . 4 ARG HH21 1 1 7 1163 1 1 4 ARG HH22 H -0.447 4.852 -0.225 1.00 . A A . 4 ARG HH22 1 1 7 1164 1 1 4 ARG N N 3.753 1.434 2.087 1.00 . A A . 4 ARG N 1 1 7 1165 1 1 4 ARG NE N 0.307 3.024 2.278 1.00 . A A . 4 ARG NE 1 1 7 1166 1 1 4 ARG NH1 N 1.054 5.124 1.714 1.00 . A A . 4 ARG NH1 1 1 7 1167 1 1 4 ARG NH2 N -0.443 4.065 0.392 1.00 . A A . 4 ARG NH2 1 1 7 1168 1 1 4 ARG O O 4.978 -0.525 4.353 1.00 . A A . 4 ARG O 1 1 7 1169 1 1 5 TYR C C 4.384 -3.175 4.619 1.00 . A A . 5 TYR C 1 1 7 1170 1 1 5 TYR CA C 4.181 -2.877 3.136 1.00 . A A . 5 TYR CA 1 1 7 1171 1 1 5 TYR CB C 5.530 -2.913 2.416 1.00 . A A . 5 TYR CB 1 1 7 1172 1 1 5 TYR CD1 C 5.567 -5.105 1.174 1.00 . A A . 5 TYR CD1 1 1 7 1173 1 1 5 TYR CD2 C 6.827 -4.912 3.236 1.00 . A A . 5 TYR CD2 1 1 7 1174 1 1 5 TYR CE1 C 5.990 -6.433 1.040 1.00 . A A . 5 TYR CE1 1 1 7 1175 1 1 5 TYR CE2 C 7.250 -6.241 3.102 1.00 . A A . 5 TYR CE2 1 1 7 1176 1 1 5 TYR CG C 5.986 -4.345 2.272 1.00 . A A . 5 TYR CG 1 1 7 1177 1 1 5 TYR CZ C 6.831 -7.000 2.004 1.00 . A A . 5 TYR CZ 1 1 7 1178 1 1 5 TYR H H 2.782 -1.485 2.360 1.00 . A A . 5 TYR H 1 1 7 1179 1 1 5 TYR HA H 3.539 -3.634 2.712 1.00 . A A . 5 TYR HA 1 1 7 1180 1 1 5 TYR HB2 H 5.426 -2.467 1.437 1.00 . A A . 5 TYR HB2 1 1 7 1181 1 1 5 TYR HB3 H 6.259 -2.359 2.989 1.00 . A A . 5 TYR HB3 1 1 7 1182 1 1 5 TYR HD1 H 4.917 -4.667 0.429 1.00 . A A . 5 TYR HD1 1 1 7 1183 1 1 5 TYR HD2 H 7.151 -4.327 4.083 1.00 . A A . 5 TYR HD2 1 1 7 1184 1 1 5 TYR HE1 H 5.667 -7.020 0.191 1.00 . A A . 5 TYR HE1 1 1 7 1185 1 1 5 TYR HE2 H 7.899 -6.678 3.845 1.00 . A A . 5 TYR HE2 1 1 7 1186 1 1 5 TYR HH H 6.688 -8.856 2.428 1.00 . A A . 5 TYR HH 1 1 7 1187 1 1 5 TYR N N 3.553 -1.571 2.958 1.00 . A A . 5 TYR N 1 1 7 1188 1 1 5 TYR O O 5.514 -3.233 5.101 1.00 . A A . 5 TYR O 1 1 7 1189 1 1 5 TYR OH O 7.247 -8.310 1.871 1.00 . A A . 5 TYR OH 1 1 7 1190 1 1 6 DPR C C 3.754 -2.396 7.606 1.00 . A A . 6 DPR C 1 1 7 1191 1 1 6 DPR CA C 3.368 -3.636 6.803 1.00 . A A . 6 DPR CA 1 1 7 1192 1 1 6 DPR CB C 1.947 -4.090 7.142 1.00 . A A . 6 DPR CB 1 1 7 1193 1 1 6 DPR CD C 1.929 -3.301 4.844 1.00 . A A . 6 DPR CD 1 1 7 1194 1 1 6 DPR CG C 1.072 -3.475 6.100 1.00 . A A . 6 DPR CG 1 1 7 1195 1 1 6 DPR HA H 4.060 -4.438 7.002 1.00 . A A . 6 DPR HA 1 1 7 1196 1 1 6 DPR HB2 H 1.881 -5.169 7.102 1.00 . A A . 6 DPR HB2 1 1 7 1197 1 1 6 DPR HB3 H 1.663 -3.732 8.120 1.00 . A A . 6 DPR HB3 1 1 7 1198 1 1 6 DPR HD2 H 1.744 -4.108 4.149 1.00 . A A . 6 DPR HD2 1 1 7 1199 1 1 6 DPR HD3 H 1.733 -2.347 4.383 1.00 . A A . 6 DPR HD3 1 1 7 1200 1 1 6 DPR HG2 H 0.233 -4.126 5.892 1.00 . A A . 6 DPR HG2 1 1 7 1201 1 1 6 DPR HG3 H 0.719 -2.511 6.434 1.00 . A A . 6 DPR HG3 1 1 7 1202 1 1 6 DPR N N 3.312 -3.352 5.343 1.00 . A A . 6 DPR N 1 1 7 1203 1 1 6 DPR O O 2.891 -1.626 8.028 1.00 . A A . 6 DPR O 1 1 7 1204 1 1 7 ASP C C 7.002 -0.773 8.223 1.00 . A A . 7 ASP C 1 1 7 1205 1 1 7 ASP CA C 5.539 -1.052 8.553 1.00 . A A . 7 ASP CA 1 1 7 1206 1 1 7 ASP CB C 5.391 -1.303 10.055 1.00 . A A . 7 ASP CB 1 1 7 1207 1 1 7 ASP CG C 5.469 0.016 10.817 1.00 . A A . 7 ASP CG 1 1 7 1208 1 1 7 ASP H H 5.695 -2.851 7.443 1.00 . A A . 7 ASP H 1 1 7 1209 1 1 7 ASP HA H 4.948 -0.190 8.285 1.00 . A A . 7 ASP HA 1 1 7 1210 1 1 7 ASP HB2 H 4.437 -1.771 10.247 1.00 . A A . 7 ASP HB2 1 1 7 1211 1 1 7 ASP HB3 H 6.184 -1.955 10.389 1.00 . A A . 7 ASP HB3 1 1 7 1212 1 1 7 ASP N N 5.053 -2.207 7.807 1.00 . A A . 7 ASP N 1 1 7 1213 1 1 7 ASP O O 7.785 -0.409 9.101 1.00 . A A . 7 ASP O 1 1 7 1214 1 1 7 ASP OD1 O 5.639 -0.029 12.024 1.00 . A A . 7 ASP OD1 1 1 7 1215 1 1 7 ASP OD2 O 5.359 1.053 10.183 1.00 . A A . 7 ASP OD2 1 1 7 1216 1 1 8 THR C C 8.823 0.488 5.587 1.00 . A A . 8 THR C 1 1 7 1217 1 1 8 THR CA C 8.742 -0.708 6.532 1.00 . A A . 8 THR CA 1 1 7 1218 1 1 8 THR CB C 9.294 -1.952 5.830 1.00 . A A . 8 THR CB 1 1 7 1219 1 1 8 THR CG2 C 9.251 -3.143 6.788 1.00 . A A . 8 THR CG2 1 1 7 1220 1 1 8 THR H H 6.702 -1.239 6.298 1.00 . A A . 8 THR H 1 1 7 1221 1 1 8 THR HA H 9.347 -0.507 7.403 1.00 . A A . 8 THR HA 1 1 7 1222 1 1 8 THR HB H 10.314 -1.773 5.529 1.00 . A A . 8 THR HB 1 1 7 1223 1 1 8 THR HG1 H 8.889 -1.769 3.936 1.00 . A A . 8 THR HG1 1 1 7 1224 1 1 8 THR HG21 H 8.224 -3.375 7.029 1.00 . A A . 8 THR HG21 1 1 7 1225 1 1 8 THR HG22 H 9.787 -2.897 7.692 1.00 . A A . 8 THR HG22 1 1 7 1226 1 1 8 THR HG23 H 9.712 -3.998 6.318 1.00 . A A . 8 THR HG23 1 1 7 1227 1 1 8 THR N N 7.366 -0.948 6.956 1.00 . A A . 8 THR N 1 1 7 1228 1 1 8 THR O O 9.886 1.088 5.425 1.00 . A A . 8 THR O 1 1 7 1229 1 1 8 THR OG1 O 8.504 -2.234 4.683 1.00 . A A . 8 THR OG1 1 1 7 1230 1 1 9 MET C C 6.861 3.115 4.637 1.00 . A A . 9 MET C 1 1 7 1231 1 1 9 MET CA C 7.667 1.964 4.045 1.00 . A A . 9 MET CA 1 1 7 1232 1 1 9 MET CB C 7.045 1.537 2.714 1.00 . A A . 9 MET CB 1 1 7 1233 1 1 9 MET CE C 8.289 -1.450 0.170 1.00 . A A . 9 MET CE 1 1 7 1234 1 1 9 MET CG C 7.900 0.438 2.081 1.00 . A A . 9 MET CG 1 1 7 1235 1 1 9 MET H H 6.878 0.324 5.131 1.00 . A A . 9 MET H 1 1 7 1236 1 1 9 MET HA H 8.677 2.300 3.865 1.00 . A A . 9 MET HA 1 1 7 1237 1 1 9 MET HB2 H 6.047 1.162 2.890 1.00 . A A . 9 MET HB2 1 1 7 1238 1 1 9 MET HB3 H 7.000 2.385 2.048 1.00 . A A . 9 MET HB3 1 1 7 1239 1 1 9 MET HE1 H 9.241 -1.029 -0.120 1.00 . A A . 9 MET HE1 1 1 7 1240 1 1 9 MET HE2 H 7.904 -2.051 -0.638 1.00 . A A . 9 MET HE2 1 1 7 1241 1 1 9 MET HE3 H 8.415 -2.069 1.047 1.00 . A A . 9 MET HE3 1 1 7 1242 1 1 9 MET HG2 H 8.886 0.825 1.871 1.00 . A A . 9 MET HG2 1 1 7 1243 1 1 9 MET HG3 H 7.978 -0.396 2.763 1.00 . A A . 9 MET HG3 1 1 7 1244 1 1 9 MET N N 7.699 0.834 4.966 1.00 . A A . 9 MET N 1 1 7 1245 1 1 9 MET O O 7.312 4.261 4.647 1.00 . A A . 9 MET O 1 1 7 1246 1 1 9 MET SD S 7.127 -0.113 0.540 1.00 . A A . 9 MET SD 1 1 7 1247 1 1 10 TYR C C 4.702 5.045 4.842 1.00 . A A . 10 TYR C 1 1 7 1248 1 1 10 TYR CA C 4.798 3.805 5.730 1.00 . A A . 10 TYR CA 1 1 7 1249 1 1 10 TYR CB C 5.332 4.197 7.109 1.00 . A A . 10 TYR CB 1 1 7 1250 1 1 10 TYR CD1 C 3.733 2.734 8.394 1.00 . A A . 10 TYR CD1 1 1 7 1251 1 1 10 TYR CD2 C 3.746 5.118 8.839 1.00 . A A . 10 TYR CD2 1 1 7 1252 1 1 10 TYR CE1 C 2.725 2.561 9.350 1.00 . A A . 10 TYR CE1 1 1 7 1253 1 1 10 TYR CE2 C 2.736 4.945 9.794 1.00 . A A . 10 TYR CE2 1 1 7 1254 1 1 10 TYR CG C 4.243 4.012 8.139 1.00 . A A . 10 TYR CG 1 1 7 1255 1 1 10 TYR CZ C 2.226 3.667 10.049 1.00 . A A . 10 TYR CZ 1 1 7 1256 1 1 10 TYR H H 5.368 1.866 5.094 1.00 . A A . 10 TYR H 1 1 7 1257 1 1 10 TYR HA H 3.810 3.385 5.848 1.00 . A A . 10 TYR HA 1 1 7 1258 1 1 10 TYR HB2 H 6.175 3.569 7.359 1.00 . A A . 10 TYR HB2 1 1 7 1259 1 1 10 TYR HB3 H 5.643 5.230 7.096 1.00 . A A . 10 TYR HB3 1 1 7 1260 1 1 10 TYR HD1 H 4.117 1.881 7.854 1.00 . A A . 10 TYR HD1 1 1 7 1261 1 1 10 TYR HD2 H 4.140 6.104 8.642 1.00 . A A . 10 TYR HD2 1 1 7 1262 1 1 10 TYR HE1 H 2.330 1.575 9.546 1.00 . A A . 10 TYR HE1 1 1 7 1263 1 1 10 TYR HE2 H 2.353 5.798 10.334 1.00 . A A . 10 TYR HE2 1 1 7 1264 1 1 10 TYR HH H 0.397 3.744 10.588 1.00 . A A . 10 TYR HH 1 1 7 1265 1 1 10 TYR N N 5.668 2.797 5.131 1.00 . A A . 10 TYR N 1 1 7 1266 1 1 10 TYR O O 4.495 6.155 5.333 1.00 . A A . 10 TYR O 1 1 7 1267 1 1 10 TYR OH O 1.232 3.496 10.991 1.00 . A A . 10 TYR OH 1 1 8 1268 1 1 1 LEU C C 4.673 5.730 2.367 1.00 . A A . 1 LEU C 1 1 8 1269 1 1 1 LEU CA C 5.235 5.694 3.784 1.00 . A A . 1 LEU CA 1 1 8 1270 1 1 1 LEU CB C 5.895 7.036 4.113 1.00 . A A . 1 LEU CB 1 1 8 1271 1 1 1 LEU CD1 C 5.791 6.498 6.550 1.00 . A A . 1 LEU CD1 1 1 8 1272 1 1 1 LEU CD2 C 6.060 8.866 5.801 1.00 . A A . 1 LEU CD2 1 1 8 1273 1 1 1 LEU CG C 5.407 7.520 5.479 1.00 . A A . 1 LEU CG 1 1 8 1274 1 1 1 LEU H1 H 6.129 3.983 4.659 1.00 . A A . 1 LEU H1 1 1 8 1275 1 1 1 LEU HA H 4.426 5.524 4.478 1.00 . A A . 1 LEU HA 1 1 8 1276 1 1 1 LEU HB2 H 6.967 6.913 4.134 1.00 . A A . 1 LEU HB2 1 1 8 1277 1 1 1 LEU HB3 H 5.630 7.763 3.361 1.00 . A A . 1 LEU HB3 1 1 8 1278 1 1 1 LEU HD11 H 5.646 6.930 7.529 1.00 . A A . 1 LEU HD11 1 1 8 1279 1 1 1 LEU HD12 H 6.828 6.221 6.429 1.00 . A A . 1 LEU HD12 1 1 8 1280 1 1 1 LEU HD13 H 5.171 5.621 6.449 1.00 . A A . 1 LEU HD13 1 1 8 1281 1 1 1 LEU HD21 H 5.791 9.587 5.044 1.00 . A A . 1 LEU HD21 1 1 8 1282 1 1 1 LEU HD22 H 7.133 8.751 5.822 1.00 . A A . 1 LEU HD22 1 1 8 1283 1 1 1 LEU HD23 H 5.715 9.211 6.765 1.00 . A A . 1 LEU HD23 1 1 8 1284 1 1 1 LEU HG H 4.333 7.633 5.457 1.00 . A A . 1 LEU HG 1 1 8 1285 1 1 1 LEU N N 6.208 4.617 3.915 1.00 . A A . 1 LEU N 1 1 8 1286 1 1 1 LEU O O 5.155 6.476 1.513 1.00 . A A . 1 LEU O 1 1 8 1287 1 1 2 . C C 1.949 3.777 0.784 1.00 . A A . 2 DGL C 1 1 8 1288 1 1 2 . CA C 3.030 4.852 0.807 1.00 . A A . 2 DGL CA 1 1 8 1289 1 1 2 . CB C 2.409 6.205 0.455 1.00 . A A . 2 DGL CB 1 1 8 1290 1 1 2 . CD C 1.778 7.725 -1.431 1.00 . A A . 2 DGL CD 1 1 8 1291 1 1 2 . CG C 2.366 6.365 -1.066 1.00 . A A . 2 DGL CG 1 1 8 1292 1 1 2 . H H 3.315 4.340 2.842 1.00 . A A . 2 DGL H 1 1 8 1293 1 1 2 . HA H 3.782 4.609 0.072 1.00 . A A . 2 DGL HA 1 1 8 1294 1 1 2 . HB2 H 1.406 6.254 0.851 1.00 . A A . 2 DGL HB2 1 1 8 1295 1 1 2 . HB3 H 3.005 6.998 0.881 1.00 . A A . 2 DGL HB3 1 1 8 1296 1 1 2 . HG2 H 3.368 6.290 -1.462 1.00 . A A . 2 DGL HG2 1 1 8 1297 1 1 2 . HG3 H 1.753 5.585 -1.491 1.00 . A A . 2 DGL HG3 1 1 8 1298 1 1 2 . N N 3.653 4.914 2.124 1.00 . A A . 2 DGL N 1 1 8 1299 1 1 2 . O O 0.810 4.036 0.399 1.00 . A A . 2 DGL O 1 1 8 1300 1 1 2 . OE1 O 2.523 8.560 -1.915 1.00 . A A . 2 DGL OE1 1 1 8 1301 1 1 2 . OE2 O 0.591 7.910 -1.221 1.00 . A A . 2 DGL OE2 1 1 8 1302 1 1 3 . C C 2.046 0.156 0.848 1.00 . A A . 3 DAR C 1 1 8 1303 1 1 3 . CA C 1.364 1.464 1.236 1.00 . A A . 3 DAR CA 1 1 8 1304 1 1 3 . CB C 0.768 1.326 2.638 1.00 . A A . 3 DAR CB 1 1 8 1305 1 1 3 . CD C -0.530 2.485 4.429 1.00 . A A . 3 DAR CD 1 1 8 1306 1 1 3 . CG C 0.007 2.603 3.003 1.00 . A A . 3 DAR CG 1 1 8 1307 1 1 3 . CZ C -2.487 3.947 4.446 1.00 . A A . 3 DAR CZ 1 1 8 1308 1 1 3 . H H 3.235 2.424 1.506 1.00 . A A . 3 DAR H 1 1 8 1309 1 1 3 . HA H 0.566 1.666 0.536 1.00 . A A . 3 DAR HA 1 1 8 1310 1 1 3 . HB2 H 0.090 0.486 2.657 1.00 . A A . 3 DAR HB2 1 1 8 1311 1 1 3 . HB3 H 1.562 1.167 3.351 1.00 . A A . 3 DAR HB3 1 1 8 1312 1 1 3 . HD2 H -1.214 1.653 4.488 1.00 . A A . 3 DAR HD2 1 1 8 1313 1 1 3 . HD3 H 0.295 2.315 5.107 1.00 . A A . 3 DAR HD3 1 1 8 1314 1 1 3 . HE H -0.749 4.382 5.342 1.00 . A A . 3 DAR HE 1 1 8 1315 1 1 3 . HG2 H 0.673 3.450 2.937 1.00 . A A . 3 DAR HG2 1 1 8 1316 1 1 3 . HG3 H -0.817 2.738 2.319 1.00 . A A . 3 DAR HG3 1 1 8 1317 1 1 3 . HH11 H -2.564 5.722 5.368 1.00 . A A . 3 DAR HH11 1 1 8 1318 1 1 3 . HH12 H -4.012 5.239 4.549 1.00 . A A . 3 DAR HH12 1 1 8 1319 1 1 3 . HH21 H -2.722 2.229 3.431 1.00 . A A . 3 DAR HH21 1 1 8 1320 1 1 3 . HH22 H -4.098 3.274 3.462 1.00 . A A . 3 DAR HH22 1 1 8 1321 1 1 3 . N N 2.314 2.570 1.206 1.00 . A A . 3 DAR N 1 1 8 1322 1 1 3 . NE N -1.224 3.712 4.808 1.00 . A A . 3 DAR NE 1 1 8 1323 1 1 3 . NH1 N -3.066 5.056 4.817 1.00 . A A . 3 DAR NH1 1 1 8 1324 1 1 3 . NH2 N -3.152 3.080 3.724 1.00 . A A . 3 DAR NH2 1 1 8 1325 1 1 3 . O O 1.439 -0.706 0.214 1.00 . A A . 3 DAR O 1 1 8 1326 1 1 4 ARG C C 4.246 -2.039 2.181 1.00 . A A . 4 ARG C 1 1 8 1327 1 1 4 ARG CA C 4.060 -1.198 0.924 1.00 . A A . 4 ARG CA 1 1 8 1328 1 1 4 ARG CB C 5.429 -0.832 0.349 1.00 . A A . 4 ARG CB 1 1 8 1329 1 1 4 ARG CD C 4.424 0.521 -1.493 1.00 . A A . 4 ARG CD 1 1 8 1330 1 1 4 ARG CG C 5.324 -0.673 -1.168 1.00 . A A . 4 ARG CG 1 1 8 1331 1 1 4 ARG CZ C 3.792 1.833 -3.451 1.00 . A A . 4 ARG CZ 1 1 8 1332 1 1 4 ARG H H 3.744 0.731 1.740 1.00 . A A . 4 ARG H 1 1 8 1333 1 1 4 ARG HA H 3.514 -1.774 0.191 1.00 . A A . 4 ARG HA 1 1 8 1334 1 1 4 ARG HB2 H 5.765 0.097 0.787 1.00 . A A . 4 ARG HB2 1 1 8 1335 1 1 4 ARG HB3 H 6.137 -1.614 0.579 1.00 . A A . 4 ARG HB3 1 1 8 1336 1 1 4 ARG HD2 H 3.397 0.260 -1.286 1.00 . A A . 4 ARG HD2 1 1 8 1337 1 1 4 ARG HD3 H 4.710 1.361 -0.878 1.00 . A A . 4 ARG HD3 1 1 8 1338 1 1 4 ARG HE H 5.209 0.416 -3.456 1.00 . A A . 4 ARG HE 1 1 8 1339 1 1 4 ARG HG2 H 6.308 -0.506 -1.582 1.00 . A A . 4 ARG HG2 1 1 8 1340 1 1 4 ARG HG3 H 4.899 -1.568 -1.596 1.00 . A A . 4 ARG HG3 1 1 8 1341 1 1 4 ARG HH11 H 2.778 2.263 -1.770 1.00 . A A . 4 ARG HH11 1 1 8 1342 1 1 4 ARG HH12 H 2.341 3.186 -3.166 1.00 . A A . 4 ARG HH12 1 1 8 1343 1 1 4 ARG HH21 H 4.620 1.639 -5.263 1.00 . A A . 4 ARG HH21 1 1 8 1344 1 1 4 ARG HH22 H 3.375 2.837 -5.132 1.00 . A A . 4 ARG HH22 1 1 8 1345 1 1 4 ARG N N 3.310 0.013 1.235 1.00 . A A . 4 ARG N 1 1 8 1346 1 1 4 ARG NE N 4.550 0.883 -2.901 1.00 . A A . 4 ARG NE 1 1 8 1347 1 1 4 ARG NH1 N 2.901 2.477 -2.738 1.00 . A A . 4 ARG NH1 1 1 8 1348 1 1 4 ARG NH2 N 3.941 2.125 -4.714 1.00 . A A . 4 ARG NH2 1 1 8 1349 1 1 4 ARG O O 4.987 -1.657 3.087 1.00 . A A . 4 ARG O 1 1 8 1350 1 1 5 TYR C C 3.485 -3.280 4.679 1.00 . A A . 5 TYR C 1 1 8 1351 1 1 5 TYR CA C 3.666 -4.070 3.384 1.00 . A A . 5 TYR CA 1 1 8 1352 1 1 5 TYR CB C 5.028 -4.767 3.393 1.00 . A A . 5 TYR CB 1 1 8 1353 1 1 5 TYR CD1 C 4.503 -7.183 3.881 1.00 . A A . 5 TYR CD1 1 1 8 1354 1 1 5 TYR CD2 C 5.427 -5.810 5.654 1.00 . A A . 5 TYR CD2 1 1 8 1355 1 1 5 TYR CE1 C 4.463 -8.279 4.751 1.00 . A A . 5 TYR CE1 1 1 8 1356 1 1 5 TYR CE2 C 5.387 -6.906 6.523 1.00 . A A . 5 TYR CE2 1 1 8 1357 1 1 5 TYR CG C 4.984 -5.948 4.332 1.00 . A A . 5 TYR CG 1 1 8 1358 1 1 5 TYR CZ C 4.905 -8.140 6.072 1.00 . A A . 5 TYR CZ 1 1 8 1359 1 1 5 TYR H H 2.994 -3.435 1.477 1.00 . A A . 5 TYR H 1 1 8 1360 1 1 5 TYR HA H 2.892 -4.819 3.318 1.00 . A A . 5 TYR HA 1 1 8 1361 1 1 5 TYR HB2 H 5.265 -5.108 2.396 1.00 . A A . 5 TYR HB2 1 1 8 1362 1 1 5 TYR HB3 H 5.786 -4.072 3.725 1.00 . A A . 5 TYR HB3 1 1 8 1363 1 1 5 TYR HD1 H 4.162 -7.290 2.862 1.00 . A A . 5 TYR HD1 1 1 8 1364 1 1 5 TYR HD2 H 5.799 -4.857 6.002 1.00 . A A . 5 TYR HD2 1 1 8 1365 1 1 5 TYR HE1 H 4.091 -9.232 4.403 1.00 . A A . 5 TYR HE1 1 1 8 1366 1 1 5 TYR HE2 H 5.727 -6.798 7.543 1.00 . A A . 5 TYR HE2 1 1 8 1367 1 1 5 TYR HH H 5.684 -9.712 6.826 1.00 . A A . 5 TYR HH 1 1 8 1368 1 1 5 TYR N N 3.569 -3.184 2.228 1.00 . A A . 5 TYR N 1 1 8 1369 1 1 5 TYR O O 4.406 -3.179 5.488 1.00 . A A . 5 TYR O 1 1 8 1370 1 1 5 TYR OH O 4.865 -9.220 6.930 1.00 . A A . 5 TYR OH 1 1 8 1371 1 1 6 DPR C C 2.707 -0.542 6.046 1.00 . A A . 6 DPR C 1 1 8 1372 1 1 6 DPR CA C 2.027 -1.908 6.093 1.00 . A A . 6 DPR CA 1 1 8 1373 1 1 6 DPR CB C 0.504 -1.767 6.077 1.00 . A A . 6 DPR CB 1 1 8 1374 1 1 6 DPR CD C 1.171 -2.781 3.966 1.00 . A A . 6 DPR CD 1 1 8 1375 1 1 6 DPR CG C 0.097 -1.930 4.650 1.00 . A A . 6 DPR CG 1 1 8 1376 1 1 6 DPR HA H 2.330 -2.444 6.978 1.00 . A A . 6 DPR HA 1 1 8 1377 1 1 6 DPR HB2 H 0.053 -2.538 6.688 1.00 . A A . 6 DPR HB2 1 1 8 1378 1 1 6 DPR HB3 H 0.215 -0.791 6.433 1.00 . A A . 6 DPR HB3 1 1 8 1379 1 1 6 DPR HD2 H 0.831 -3.801 3.856 1.00 . A A . 6 DPR HD2 1 1 8 1380 1 1 6 DPR HD3 H 1.428 -2.360 3.008 1.00 . A A . 6 DPR HD3 1 1 8 1381 1 1 6 DPR HG2 H -0.861 -2.428 4.596 1.00 . A A . 6 DPR HG2 1 1 8 1382 1 1 6 DPR HG3 H 0.040 -0.966 4.170 1.00 . A A . 6 DPR HG3 1 1 8 1383 1 1 6 DPR N N 2.324 -2.713 4.878 1.00 . A A . 6 DPR N 1 1 8 1384 1 1 6 DPR O O 2.061 0.479 5.810 1.00 . A A . 6 DPR O 1 1 8 1385 1 1 7 ASP C C 6.264 0.398 6.019 1.00 . A A . 7 ASP C 1 1 8 1386 1 1 7 ASP CA C 4.786 0.699 6.241 1.00 . A A . 7 ASP CA 1 1 8 1387 1 1 7 ASP CB C 4.609 1.455 7.559 1.00 . A A . 7 ASP CB 1 1 8 1388 1 1 7 ASP CG C 4.994 2.919 7.380 1.00 . A A . 7 ASP CG 1 1 8 1389 1 1 7 ASP H H 4.476 -1.386 6.444 1.00 . A A . 7 ASP H 1 1 8 1390 1 1 7 ASP HA H 4.428 1.318 5.431 1.00 . A A . 7 ASP HA 1 1 8 1391 1 1 7 ASP HB2 H 3.575 1.392 7.871 1.00 . A A . 7 ASP HB2 1 1 8 1392 1 1 7 ASP HB3 H 5.238 1.009 8.315 1.00 . A A . 7 ASP HB3 1 1 8 1393 1 1 7 ASP N N 4.017 -0.538 6.266 1.00 . A A . 7 ASP N 1 1 8 1394 1 1 7 ASP O O 6.829 0.745 4.983 1.00 . A A . 7 ASP O 1 1 8 1395 1 1 7 ASP OD1 O 5.058 3.621 8.377 1.00 . A A . 7 ASP OD1 1 1 8 1396 1 1 7 ASP OD2 O 5.223 3.319 6.250 1.00 . A A . 7 ASP OD2 1 1 8 1397 1 1 8 THR C C 9.122 0.604 6.478 1.00 . A A . 8 THR C 1 1 8 1398 1 1 8 THR CA C 8.294 -0.607 6.896 1.00 . A A . 8 THR CA 1 1 8 1399 1 1 8 THR CB C 8.479 -1.731 5.873 1.00 . A A . 8 THR CB 1 1 8 1400 1 1 8 THR CG2 C 9.749 -2.518 6.203 1.00 . A A . 8 THR CG2 1 1 8 1401 1 1 8 THR H H 6.378 -0.512 7.797 1.00 . A A . 8 THR H 1 1 8 1402 1 1 8 THR HA H 8.638 -0.952 7.858 1.00 . A A . 8 THR HA 1 1 8 1403 1 1 8 THR HB H 8.569 -1.308 4.885 1.00 . A A . 8 THR HB 1 1 8 1404 1 1 8 THR HG1 H 7.188 -2.819 6.838 1.00 . A A . 8 THR HG1 1 1 8 1405 1 1 8 THR HG21 H 9.965 -3.206 5.400 1.00 . A A . 8 THR HG21 1 1 8 1406 1 1 8 THR HG22 H 9.603 -3.069 7.120 1.00 . A A . 8 THR HG22 1 1 8 1407 1 1 8 THR HG23 H 10.575 -1.833 6.323 1.00 . A A . 8 THR HG23 1 1 8 1408 1 1 8 THR N N 6.882 -0.257 6.996 1.00 . A A . 8 THR N 1 1 8 1409 1 1 8 THR O O 9.994 0.503 5.614 1.00 . A A . 8 THR O 1 1 8 1410 1 1 8 THR OG1 O 7.356 -2.600 5.918 1.00 . A A . 8 THR OG1 1 1 8 1411 1 1 9 MET C C 9.507 3.258 5.284 1.00 . A A . 9 MET C 1 1 8 1412 1 1 9 MET CA C 9.578 2.969 6.778 1.00 . A A . 9 MET CA 1 1 8 1413 1 1 9 MET CB C 11.043 2.821 7.191 1.00 . A A . 9 MET CB 1 1 8 1414 1 1 9 MET CE C 11.535 5.080 9.311 1.00 . A A . 9 MET CE 1 1 8 1415 1 1 9 MET CG C 11.136 2.469 8.680 1.00 . A A . 9 MET CG 1 1 8 1416 1 1 9 MET H H 8.142 1.770 7.777 1.00 . A A . 9 MET H 1 1 8 1417 1 1 9 MET HA H 9.140 3.795 7.316 1.00 . A A . 9 MET HA 1 1 8 1418 1 1 9 MET HB2 H 11.501 2.036 6.606 1.00 . A A . 9 MET HB2 1 1 8 1419 1 1 9 MET HB3 H 11.562 3.751 7.011 1.00 . A A . 9 MET HB3 1 1 8 1420 1 1 9 MET HE1 H 11.466 5.844 10.072 1.00 . A A . 9 MET HE1 1 1 8 1421 1 1 9 MET HE2 H 11.316 5.513 8.348 1.00 . A A . 9 MET HE2 1 1 8 1422 1 1 9 MET HE3 H 12.535 4.666 9.296 1.00 . A A . 9 MET HE3 1 1 8 1423 1 1 9 MET HG2 H 10.636 1.528 8.857 1.00 . A A . 9 MET HG2 1 1 8 1424 1 1 9 MET HG3 H 12.174 2.383 8.964 1.00 . A A . 9 MET HG3 1 1 8 1425 1 1 9 MET N N 8.847 1.748 7.096 1.00 . A A . 9 MET N 1 1 8 1426 1 1 9 MET O O 10.505 3.637 4.670 1.00 . A A . 9 MET O 1 1 8 1427 1 1 9 MET SD S 10.346 3.764 9.668 1.00 . A A . 9 MET SD 1 1 8 1428 1 1 10 TYR C C 7.197 4.478 3.040 1.00 . A A . 10 TYR C 1 1 8 1429 1 1 10 TYR CA C 8.150 3.313 3.278 1.00 . A A . 10 TYR CA 1 1 8 1430 1 1 10 TYR CB C 7.599 2.057 2.606 1.00 . A A . 10 TYR CB 1 1 8 1431 1 1 10 TYR CD1 C 6.836 2.428 0.236 1.00 . A A . 10 TYR CD1 1 1 8 1432 1 1 10 TYR CD2 C 9.163 1.883 0.644 1.00 . A A . 10 TYR CD2 1 1 8 1433 1 1 10 TYR CE1 C 7.091 2.491 -1.139 1.00 . A A . 10 TYR CE1 1 1 8 1434 1 1 10 TYR CE2 C 9.419 1.946 -0.730 1.00 . A A . 10 TYR CE2 1 1 8 1435 1 1 10 TYR CG C 7.873 2.123 1.126 1.00 . A A . 10 TYR CG 1 1 8 1436 1 1 10 TYR CZ C 8.383 2.250 -1.622 1.00 . A A . 10 TYR CZ 1 1 8 1437 1 1 10 TYR H H 7.568 2.766 5.240 1.00 . A A . 10 TYR H 1 1 8 1438 1 1 10 TYR HA H 9.107 3.550 2.839 1.00 . A A . 10 TYR HA 1 1 8 1439 1 1 10 TYR HB2 H 8.081 1.185 3.023 1.00 . A A . 10 TYR HB2 1 1 8 1440 1 1 10 TYR HB3 H 6.535 1.996 2.772 1.00 . A A . 10 TYR HB3 1 1 8 1441 1 1 10 TYR HD1 H 5.839 2.611 0.612 1.00 . A A . 10 TYR HD1 1 1 8 1442 1 1 10 TYR HD2 H 9.963 1.650 1.334 1.00 . A A . 10 TYR HD2 1 1 8 1443 1 1 10 TYR HE1 H 6.291 2.725 -1.825 1.00 . A A . 10 TYR HE1 1 1 8 1444 1 1 10 TYR HE2 H 10.415 1.761 -1.104 1.00 . A A . 10 TYR HE2 1 1 8 1445 1 1 10 TYR HH H 7.951 1.812 -3.429 1.00 . A A . 10 TYR HH 1 1 8 1446 1 1 10 TYR N N 8.328 3.073 4.703 1.00 . A A . 10 TYR N 1 1 8 1447 1 1 10 TYR O O 7.355 5.236 2.082 1.00 . A A . 10 TYR O 1 1 8 1448 1 1 10 TYR OH O 8.633 2.312 -2.977 1.00 . A A . 10 TYR OH 1 1 9 1449 1 1 1 LEU C C 5.189 4.355 0.098 1.00 . A A . 1 LEU C 1 1 9 1450 1 1 1 LEU CA C 6.439 3.731 0.712 1.00 . A A . 1 LEU CA 1 1 9 1451 1 1 1 LEU CB C 6.938 2.588 -0.180 1.00 . A A . 1 LEU CB 1 1 9 1452 1 1 1 LEU CD1 C 8.974 3.802 -1.014 1.00 . A A . 1 LEU CD1 1 1 9 1453 1 1 1 LEU CD2 C 7.912 2.013 -2.407 1.00 . A A . 1 LEU CD2 1 1 9 1454 1 1 1 LEU CG C 7.644 3.152 -1.419 1.00 . A A . 1 LEU CG 1 1 9 1455 1 1 1 LEU H1 H 5.841 2.300 2.157 1.00 . A A . 1 LEU H1 1 1 9 1456 1 1 1 LEU HA H 7.207 4.483 0.784 1.00 . A A . 1 LEU HA 1 1 9 1457 1 1 1 LEU HB2 H 7.630 1.975 0.379 1.00 . A A . 1 LEU HB2 1 1 9 1458 1 1 1 LEU HB3 H 6.098 1.986 -0.492 1.00 . A A . 1 LEU HB3 1 1 9 1459 1 1 1 LEU HD11 H 8.781 4.758 -0.551 1.00 . A A . 1 LEU HD11 1 1 9 1460 1 1 1 LEU HD12 H 9.589 3.945 -1.890 1.00 . A A . 1 LEU HD12 1 1 9 1461 1 1 1 LEU HD13 H 9.490 3.160 -0.314 1.00 . A A . 1 LEU HD13 1 1 9 1462 1 1 1 LEU HD21 H 6.980 1.532 -2.663 1.00 . A A . 1 LEU HD21 1 1 9 1463 1 1 1 LEU HD22 H 8.577 1.293 -1.955 1.00 . A A . 1 LEU HD22 1 1 9 1464 1 1 1 LEU HD23 H 8.367 2.413 -3.301 1.00 . A A . 1 LEU HD23 1 1 9 1465 1 1 1 LEU HG H 7.014 3.893 -1.886 1.00 . A A . 1 LEU HG 1 1 9 1466 1 1 1 LEU N N 6.147 3.225 2.048 1.00 . A A . 1 LEU N 1 1 9 1467 1 1 1 LEU O O 4.881 4.133 -1.074 1.00 . A A . 1 LEU O 1 1 9 1468 1 1 2 . C C 2.299 4.774 -0.192 1.00 . A A . 2 DGL C 1 1 9 1469 1 1 2 . CA C 3.258 5.791 0.422 1.00 . A A . 2 DGL CA 1 1 9 1470 1 1 2 . CB C 2.573 6.531 1.576 1.00 . A A . 2 DGL CB 1 1 9 1471 1 1 2 . CD C 1.473 6.260 3.807 1.00 . A A . 2 DGL CD 1 1 9 1472 1 1 2 . CG C 2.038 5.524 2.597 1.00 . A A . 2 DGL CG 1 1 9 1473 1 1 2 . H H 4.764 5.280 1.821 1.00 . A A . 2 DGL H 1 1 9 1474 1 1 2 . HA H 3.528 6.512 -0.336 1.00 . A A . 2 DGL HA 1 1 9 1475 1 1 2 . HB2 H 3.286 7.186 2.057 1.00 . A A . 2 DGL HB2 1 1 9 1476 1 1 2 . HB3 H 1.753 7.117 1.189 1.00 . A A . 2 DGL HB3 1 1 9 1477 1 1 2 . HG2 H 1.257 4.933 2.142 1.00 . A A . 2 DGL HG2 1 1 9 1478 1 1 2 . HG3 H 2.840 4.876 2.915 1.00 . A A . 2 DGL HG3 1 1 9 1479 1 1 2 . N N 4.472 5.139 0.897 1.00 . A A . 2 DGL N 1 1 9 1480 1 1 2 . O O 1.615 5.076 -1.169 1.00 . A A . 2 DGL O 1 1 9 1481 1 1 2 . OE1 O 0.845 5.613 4.629 1.00 . A A . 2 DGL OE1 1 1 9 1482 1 1 2 . OE2 O 1.676 7.460 3.894 1.00 . A A . 2 DGL OE2 1 1 9 1483 1 1 3 . C C 1.401 1.308 0.831 1.00 . A A . 3 DAR C 1 1 9 1484 1 1 3 . CA C 1.381 2.512 -0.108 1.00 . A A . 3 DAR CA 1 1 9 1485 1 1 3 . CB C -0.057 3.024 -0.233 1.00 . A A . 3 DAR CB 1 1 9 1486 1 1 3 . CD C -1.645 4.048 -1.868 1.00 . A A . 3 DAR CD 1 1 9 1487 1 1 3 . CG C -0.444 3.115 -1.712 1.00 . A A . 3 DAR CG 1 1 9 1488 1 1 3 . CZ C -2.146 6.405 -1.473 1.00 . A A . 3 DAR CZ 1 1 9 1489 1 1 3 . H H 2.833 3.396 1.161 1.00 . A A . 3 DAR H 1 1 9 1490 1 1 3 . HA H 1.724 2.200 -1.083 1.00 . A A . 3 DAR HA 1 1 9 1491 1 1 3 . HB2 H -0.726 2.345 0.274 1.00 . A A . 3 DAR HB2 1 1 9 1492 1 1 3 . HB3 H -0.129 4.004 0.216 1.00 . A A . 3 DAR HB3 1 1 9 1493 1 1 3 . HD2 H -2.034 3.966 -2.871 1.00 . A A . 3 DAR HD2 1 1 9 1494 1 1 3 . HD3 H -2.413 3.762 -1.163 1.00 . A A . 3 DAR HD3 1 1 9 1495 1 1 3 . HE H -0.293 5.646 -1.554 1.00 . A A . 3 DAR HE 1 1 9 1496 1 1 3 . HG2 H 0.388 3.497 -2.282 1.00 . A A . 3 DAR HG2 1 1 9 1497 1 1 3 . HG3 H -0.707 2.132 -2.074 1.00 . A A . 3 DAR HG3 1 1 9 1498 1 1 3 . HH11 H -0.763 7.826 -1.192 1.00 . A A . 3 DAR HH11 1 1 9 1499 1 1 3 . HH12 H -2.410 8.362 -1.143 1.00 . A A . 3 DAR HH12 1 1 9 1500 1 1 3 . HH21 H -3.750 5.222 -1.719 1.00 . A A . 3 DAR HH21 1 1 9 1501 1 1 3 . HH22 H -4.088 6.895 -1.440 1.00 . A A . 3 DAR HH22 1 1 9 1502 1 1 3 . N N 2.259 3.573 0.386 1.00 . A A . 3 DAR N 1 1 9 1503 1 1 3 . NE N -1.247 5.430 -1.618 1.00 . A A . 3 DAR NE 1 1 9 1504 1 1 3 . NH1 N -1.741 7.627 -1.252 1.00 . A A . 3 DAR NH1 1 1 9 1505 1 1 3 . NH2 N -3.427 6.153 -1.551 1.00 . A A . 3 DAR NH2 1 1 9 1506 1 1 3 . O O 1.136 0.181 0.411 1.00 . A A . 3 DAR O 1 1 9 1507 1 1 4 ARG C C 2.732 -0.613 2.655 1.00 . A A . 4 ARG C 1 1 9 1508 1 1 4 ARG CA C 1.750 0.474 3.085 1.00 . A A . 4 ARG CA 1 1 9 1509 1 1 4 ARG CB C 0.354 -0.130 3.251 1.00 . A A . 4 ARG CB 1 1 9 1510 1 1 4 ARG CD C -1.059 -1.655 4.638 1.00 . A A . 4 ARG CD 1 1 9 1511 1 1 4 ARG CG C 0.352 -1.101 4.433 1.00 . A A . 4 ARG CG 1 1 9 1512 1 1 4 ARG CZ C -2.664 -3.012 3.394 1.00 . A A . 4 ARG CZ 1 1 9 1513 1 1 4 ARG H H 1.905 2.469 2.382 1.00 . A A . 4 ARG H 1 1 9 1514 1 1 4 ARG HA H 2.069 0.878 4.034 1.00 . A A . 4 ARG HA 1 1 9 1515 1 1 4 ARG HB2 H -0.361 0.659 3.431 1.00 . A A . 4 ARG HB2 1 1 9 1516 1 1 4 ARG HB3 H 0.083 -0.663 2.351 1.00 . A A . 4 ARG HB3 1 1 9 1517 1 1 4 ARG HD2 H -1.087 -2.237 5.546 1.00 . A A . 4 ARG HD2 1 1 9 1518 1 1 4 ARG HD3 H -1.757 -0.833 4.718 1.00 . A A . 4 ARG HD3 1 1 9 1519 1 1 4 ARG HE H -0.768 -2.705 2.823 1.00 . A A . 4 ARG HE 1 1 9 1520 1 1 4 ARG HG2 H 1.033 -1.915 4.232 1.00 . A A . 4 ARG HG2 1 1 9 1521 1 1 4 ARG HG3 H 0.665 -0.582 5.327 1.00 . A A . 4 ARG HG3 1 1 9 1522 1 1 4 ARG HH11 H -3.372 -2.188 5.085 1.00 . A A . 4 ARG HH11 1 1 9 1523 1 1 4 ARG HH12 H -4.496 -3.152 4.193 1.00 . A A . 4 ARG HH12 1 1 9 1524 1 1 4 ARG HH21 H -2.258 -3.959 1.678 1.00 . A A . 4 ARG HH21 1 1 9 1525 1 1 4 ARG HH22 H -3.873 -4.150 2.276 1.00 . A A . 4 ARG HH22 1 1 9 1526 1 1 4 ARG N N 1.708 1.552 2.101 1.00 . A A . 4 ARG N 1 1 9 1527 1 1 4 ARG NE N -1.436 -2.503 3.511 1.00 . A A . 4 ARG NE 1 1 9 1528 1 1 4 ARG NH1 N -3.580 -2.764 4.295 1.00 . A A . 4 ARG NH1 1 1 9 1529 1 1 4 ARG NH2 N -2.954 -3.766 2.370 1.00 . A A . 4 ARG NH2 1 1 9 1530 1 1 4 ARG O O 2.407 -1.464 1.826 1.00 . A A . 4 ARG O 1 1 9 1531 1 1 5 TYR C C 5.548 -2.183 4.154 1.00 . A A . 5 TYR C 1 1 9 1532 1 1 5 TYR CA C 4.957 -1.563 2.885 1.00 . A A . 5 TYR CA 1 1 9 1533 1 1 5 TYR CB C 6.074 -0.894 2.081 1.00 . A A . 5 TYR CB 1 1 9 1534 1 1 5 TYR CD1 C 6.768 -2.598 0.358 1.00 . A A . 5 TYR CD1 1 1 9 1535 1 1 5 TYR CD2 C 8.173 -2.273 2.308 1.00 . A A . 5 TYR CD2 1 1 9 1536 1 1 5 TYR CE1 C 7.653 -3.574 -0.116 1.00 . A A . 5 TYR CE1 1 1 9 1537 1 1 5 TYR CE2 C 9.058 -3.248 1.833 1.00 . A A . 5 TYR CE2 1 1 9 1538 1 1 5 TYR CG C 7.028 -1.946 1.571 1.00 . A A . 5 TYR CG 1 1 9 1539 1 1 5 TYR CZ C 8.797 -3.899 0.620 1.00 . A A . 5 TYR CZ 1 1 9 1540 1 1 5 TYR H H 4.138 0.123 3.874 1.00 . A A . 5 TYR H 1 1 9 1541 1 1 5 TYR HA H 4.514 -2.340 2.279 1.00 . A A . 5 TYR HA 1 1 9 1542 1 1 5 TYR HB2 H 5.646 -0.359 1.247 1.00 . A A . 5 TYR HB2 1 1 9 1543 1 1 5 TYR HB3 H 6.609 -0.202 2.716 1.00 . A A . 5 TYR HB3 1 1 9 1544 1 1 5 TYR HD1 H 5.884 -2.347 -0.210 1.00 . A A . 5 TYR HD1 1 1 9 1545 1 1 5 TYR HD2 H 8.375 -1.770 3.242 1.00 . A A . 5 TYR HD2 1 1 9 1546 1 1 5 TYR HE1 H 7.452 -4.076 -1.051 1.00 . A A . 5 TYR HE1 1 1 9 1547 1 1 5 TYR HE2 H 9.941 -3.498 2.401 1.00 . A A . 5 TYR HE2 1 1 9 1548 1 1 5 TYR HH H 9.911 -4.628 -0.747 1.00 . A A . 5 TYR HH 1 1 9 1549 1 1 5 TYR N N 3.935 -0.578 3.222 1.00 . A A . 5 TYR N 1 1 9 1550 1 1 5 TYR O O 6.612 -1.769 4.615 1.00 . A A . 5 TYR O 1 1 9 1551 1 1 5 TYR OH O 9.670 -4.860 0.152 1.00 . A A . 5 TYR OH 1 1 9 1552 1 1 6 DPR C C 5.174 -2.980 7.211 1.00 . A A . 6 DPR C 1 1 9 1553 1 1 6 DPR CA C 5.361 -3.841 5.962 1.00 . A A . 6 DPR CA 1 1 9 1554 1 1 6 DPR CB C 4.501 -5.102 6.036 1.00 . A A . 6 DPR CB 1 1 9 1555 1 1 6 DPR CD C 3.606 -3.721 4.252 1.00 . A A . 6 DPR CD 1 1 9 1556 1 1 6 DPR CG C 3.241 -4.763 5.310 1.00 . A A . 6 DPR CG 1 1 9 1557 1 1 6 DPR HA H 6.397 -4.121 5.857 1.00 . A A . 6 DPR HA 1 1 9 1558 1 1 6 DPR HB2 H 5.005 -5.927 5.552 1.00 . A A . 6 DPR HB2 1 1 9 1559 1 1 6 DPR HB3 H 4.279 -5.346 7.063 1.00 . A A . 6 DPR HB3 1 1 9 1560 1 1 6 DPR HD2 H 3.730 -4.191 3.286 1.00 . A A . 6 DPR HD2 1 1 9 1561 1 1 6 DPR HD3 H 2.856 -2.948 4.206 1.00 . A A . 6 DPR HD3 1 1 9 1562 1 1 6 DPR HG2 H 2.838 -5.650 4.838 1.00 . A A . 6 DPR HG2 1 1 9 1563 1 1 6 DPR HG3 H 2.519 -4.347 5.994 1.00 . A A . 6 DPR HG3 1 1 9 1564 1 1 6 DPR N N 4.885 -3.160 4.723 1.00 . A A . 6 DPR N 1 1 9 1565 1 1 6 DPR O O 5.729 -3.276 8.269 1.00 . A A . 6 DPR O 1 1 9 1566 1 1 7 ASP C C 5.445 -0.572 8.840 1.00 . A A . 7 ASP C 1 1 9 1567 1 1 7 ASP CA C 4.132 -1.025 8.209 1.00 . A A . 7 ASP CA 1 1 9 1568 1 1 7 ASP CB C 3.280 -1.743 9.258 1.00 . A A . 7 ASP CB 1 1 9 1569 1 1 7 ASP CG C 2.762 -0.742 10.287 1.00 . A A . 7 ASP CG 1 1 9 1570 1 1 7 ASP H H 3.965 -1.728 6.220 1.00 . A A . 7 ASP H 1 1 9 1571 1 1 7 ASP HA H 3.594 -0.158 7.857 1.00 . A A . 7 ASP HA 1 1 9 1572 1 1 7 ASP HB2 H 2.442 -2.223 8.773 1.00 . A A . 7 ASP HB2 1 1 9 1573 1 1 7 ASP HB3 H 3.880 -2.490 9.758 1.00 . A A . 7 ASP HB3 1 1 9 1574 1 1 7 ASP N N 4.385 -1.916 7.084 1.00 . A A . 7 ASP N 1 1 9 1575 1 1 7 ASP O O 5.561 -0.485 10.062 1.00 . A A . 7 ASP O 1 1 9 1576 1 1 7 ASP OD1 O 1.920 -1.123 11.082 1.00 . A A . 7 ASP OD1 1 1 9 1577 1 1 7 ASP OD2 O 3.214 0.390 10.261 1.00 . A A . 7 ASP OD2 1 1 9 1578 1 1 8 THR C C 8.339 1.183 7.526 1.00 . A A . 8 THR C 1 1 9 1579 1 1 8 THR CA C 7.731 0.166 8.485 1.00 . A A . 8 THR CA 1 1 9 1580 1 1 8 THR CB C 8.675 -1.030 8.631 1.00 . A A . 8 THR CB 1 1 9 1581 1 1 8 THR CG2 C 10.033 -0.552 9.147 1.00 . A A . 8 THR CG2 1 1 9 1582 1 1 8 THR H H 6.282 -0.368 7.033 1.00 . A A . 8 THR H 1 1 9 1583 1 1 8 THR HA H 7.602 0.628 9.452 1.00 . A A . 8 THR HA 1 1 9 1584 1 1 8 THR HB H 8.808 -1.504 7.670 1.00 . A A . 8 THR HB 1 1 9 1585 1 1 8 THR HG1 H 8.094 -1.547 10.413 1.00 . A A . 8 THR HG1 1 1 9 1586 1 1 8 THR HG21 H 10.467 0.133 8.435 1.00 . A A . 8 THR HG21 1 1 9 1587 1 1 8 THR HG22 H 10.687 -1.400 9.277 1.00 . A A . 8 THR HG22 1 1 9 1588 1 1 8 THR HG23 H 9.900 -0.050 10.095 1.00 . A A . 8 THR HG23 1 1 9 1589 1 1 8 THR N N 6.431 -0.283 7.998 1.00 . A A . 8 THR N 1 1 9 1590 1 1 8 THR O O 8.529 2.348 7.877 1.00 . A A . 8 THR O 1 1 9 1591 1 1 8 THR OG1 O 8.118 -1.962 9.548 1.00 . A A . 8 THR OG1 1 1 9 1592 1 1 9 MET C C 8.253 2.724 4.929 1.00 . A A . 9 MET C 1 1 9 1593 1 1 9 MET CA C 9.226 1.611 5.306 1.00 . A A . 9 MET CA 1 1 9 1594 1 1 9 MET CB C 9.590 0.805 4.057 1.00 . A A . 9 MET CB 1 1 9 1595 1 1 9 MET CE C 12.630 -1.931 3.584 1.00 . A A . 9 MET CE 1 1 9 1596 1 1 9 MET CG C 10.770 -0.117 4.371 1.00 . A A . 9 MET CG 1 1 9 1597 1 1 9 MET H H 8.468 -0.204 6.091 1.00 . A A . 9 MET H 1 1 9 1598 1 1 9 MET HA H 10.126 2.054 5.707 1.00 . A A . 9 MET HA 1 1 9 1599 1 1 9 MET HB2 H 8.740 0.212 3.752 1.00 . A A . 9 MET HB2 1 1 9 1600 1 1 9 MET HB3 H 9.864 1.479 3.261 1.00 . A A . 9 MET HB3 1 1 9 1601 1 1 9 MET HE1 H 13.339 -1.187 3.921 1.00 . A A . 9 MET HE1 1 1 9 1602 1 1 9 MET HE2 H 13.087 -2.540 2.821 1.00 . A A . 9 MET HE2 1 1 9 1603 1 1 9 MET HE3 H 12.336 -2.559 4.414 1.00 . A A . 9 MET HE3 1 1 9 1604 1 1 9 MET HG2 H 11.628 0.478 4.648 1.00 . A A . 9 MET HG2 1 1 9 1605 1 1 9 MET HG3 H 10.508 -0.772 5.188 1.00 . A A . 9 MET HG3 1 1 9 1606 1 1 9 MET N N 8.642 0.734 6.313 1.00 . A A . 9 MET N 1 1 9 1607 1 1 9 MET O O 8.654 3.871 4.729 1.00 . A A . 9 MET O 1 1 9 1608 1 1 9 MET SD S 11.168 -1.105 2.908 1.00 . A A . 9 MET SD 1 1 9 1609 1 1 10 TYR C C 6.290 3.996 3.120 1.00 . A A . 10 TYR C 1 1 9 1610 1 1 10 TYR CA C 5.955 3.353 4.461 1.00 . A A . 10 TYR CA 1 1 9 1611 1 1 10 TYR CB C 5.853 4.435 5.538 1.00 . A A . 10 TYR CB 1 1 9 1612 1 1 10 TYR CD1 C 5.410 3.131 7.650 1.00 . A A . 10 TYR CD1 1 1 9 1613 1 1 10 TYR CD2 C 3.591 4.380 6.645 1.00 . A A . 10 TYR CD2 1 1 9 1614 1 1 10 TYR CE1 C 4.552 2.701 8.670 1.00 . A A . 10 TYR CE1 1 1 9 1615 1 1 10 TYR CE2 C 2.733 3.950 7.665 1.00 . A A . 10 TYR CE2 1 1 9 1616 1 1 10 TYR CG C 4.929 3.970 6.638 1.00 . A A . 10 TYR CG 1 1 9 1617 1 1 10 TYR CZ C 3.213 3.112 8.677 1.00 . A A . 10 TYR CZ 1 1 9 1618 1 1 10 TYR H H 6.713 1.446 4.989 1.00 . A A . 10 TYR H 1 1 9 1619 1 1 10 TYR HA H 5.003 2.853 4.381 1.00 . A A . 10 TYR HA 1 1 9 1620 1 1 10 TYR HB2 H 6.834 4.627 5.949 1.00 . A A . 10 TYR HB2 1 1 9 1621 1 1 10 TYR HB3 H 5.463 5.343 5.101 1.00 . A A . 10 TYR HB3 1 1 9 1622 1 1 10 TYR HD1 H 6.441 2.814 7.645 1.00 . A A . 10 TYR HD1 1 1 9 1623 1 1 10 TYR HD2 H 3.220 5.028 5.864 1.00 . A A . 10 TYR HD2 1 1 9 1624 1 1 10 TYR HE1 H 4.922 2.054 9.450 1.00 . A A . 10 TYR HE1 1 1 9 1625 1 1 10 TYR HE2 H 1.699 4.266 7.670 1.00 . A A . 10 TYR HE2 1 1 9 1626 1 1 10 TYR HH H 1.527 2.452 9.282 1.00 . A A . 10 TYR HH 1 1 9 1627 1 1 10 TYR N N 6.974 2.376 4.825 1.00 . A A . 10 TYR N 1 1 9 1628 1 1 10 TYR O O 6.670 5.166 3.060 1.00 . A A . 10 TYR O 1 1 9 1629 1 1 10 TYR OH O 2.367 2.689 9.682 1.00 . A A . 10 TYR OH 1 1 10 1630 1 1 1 LEU C C 5.807 4.836 0.513 1.00 . A A . 1 LEU C 1 1 10 1631 1 1 1 LEU CA C 6.874 3.820 0.911 1.00 . A A . 1 LEU CA 1 1 10 1632 1 1 1 LEU CB C 7.013 2.766 -0.190 1.00 . A A . 1 LEU CB 1 1 10 1633 1 1 1 LEU CD1 C 8.690 1.810 -1.776 1.00 . A A . 1 LEU CD1 1 1 10 1634 1 1 1 LEU CD2 C 7.881 4.154 -2.077 1.00 . A A . 1 LEU CD2 1 1 10 1635 1 1 1 LEU CG C 8.240 3.078 -1.049 1.00 . A A . 1 LEU CG 1 1 10 1636 1 1 1 LEU H1 H 6.291 2.226 2.180 1.00 . A A . 1 LEU H1 1 1 10 1637 1 1 1 LEU HA H 7.818 4.331 1.027 1.00 . A A . 1 LEU HA 1 1 10 1638 1 1 1 LEU HB2 H 7.126 1.790 0.259 1.00 . A A . 1 LEU HB2 1 1 10 1639 1 1 1 LEU HB3 H 6.130 2.776 -0.811 1.00 . A A . 1 LEU HB3 1 1 10 1640 1 1 1 LEU HD11 H 8.957 1.055 -1.052 1.00 . A A . 1 LEU HD11 1 1 10 1641 1 1 1 LEU HD12 H 9.547 2.034 -2.395 1.00 . A A . 1 LEU HD12 1 1 10 1642 1 1 1 LEU HD13 H 7.884 1.445 -2.396 1.00 . A A . 1 LEU HD13 1 1 10 1643 1 1 1 LEU HD21 H 8.668 4.227 -2.812 1.00 . A A . 1 LEU HD21 1 1 10 1644 1 1 1 LEU HD22 H 7.768 5.105 -1.577 1.00 . A A . 1 LEU HD22 1 1 10 1645 1 1 1 LEU HD23 H 6.954 3.891 -2.565 1.00 . A A . 1 LEU HD23 1 1 10 1646 1 1 1 LEU HG H 9.041 3.433 -0.417 1.00 . A A . 1 LEU HG 1 1 10 1647 1 1 1 LEU N N 6.523 3.178 2.173 1.00 . A A . 1 LEU N 1 1 10 1648 1 1 1 LEU O O 6.120 5.977 0.173 1.00 . A A . 1 LEU O 1 1 10 1649 1 1 2 . C C 2.104 4.565 0.396 1.00 . A A . 2 DGL C 1 1 10 1650 1 1 2 . CA C 3.436 5.285 0.204 1.00 . A A . 2 DGL CA 1 1 10 1651 1 1 2 . CB C 3.471 6.556 1.060 1.00 . A A . 2 DGL CB 1 1 10 1652 1 1 2 . CD C 3.683 7.448 3.389 1.00 . A A . 2 DGL CD 1 1 10 1653 1 1 2 . CG C 3.743 6.194 2.524 1.00 . A A . 2 DGL CG 1 1 10 1654 1 1 2 . H H 4.364 3.489 0.837 1.00 . A A . 2 DGL H 1 1 10 1655 1 1 2 . HA H 3.533 5.565 -0.834 1.00 . A A . 2 DGL HA 1 1 10 1656 1 1 2 . HB2 H 4.251 7.211 0.701 1.00 . A A . 2 DGL HB2 1 1 10 1657 1 1 2 . HB3 H 2.520 7.062 0.989 1.00 . A A . 2 DGL HB3 1 1 10 1658 1 1 2 . HG2 H 3.003 5.488 2.867 1.00 . A A . 2 DGL HG2 1 1 10 1659 1 1 2 . HG3 H 4.724 5.752 2.608 1.00 . A A . 2 DGL HG3 1 1 10 1660 1 1 2 . N N 4.548 4.410 0.558 1.00 . A A . 2 DGL N 1 1 10 1661 1 1 2 . O O 1.426 4.744 1.406 1.00 . A A . 2 DGL O 1 1 10 1662 1 1 2 . OE1 O 3.165 7.360 4.491 1.00 . A A . 2 DGL OE1 1 1 10 1663 1 1 2 . OE2 O 4.156 8.478 2.938 1.00 . A A . 2 DGL OE2 1 1 10 1664 1 1 3 . C C 0.505 2.064 0.697 1.00 . A A . 3 DAR C 1 1 10 1665 1 1 3 . CA C 0.482 2.999 -0.505 1.00 . A A . 3 DAR CA 1 1 10 1666 1 1 3 . CB C -0.714 3.955 -0.394 1.00 . A A . 3 DAR CB 1 1 10 1667 1 1 3 . CD C -0.347 4.690 -2.758 1.00 . A A . 3 DAR CD 1 1 10 1668 1 1 3 . CG C -0.511 5.165 -1.314 1.00 . A A . 3 DAR CG 1 1 10 1669 1 1 3 . CZ C 1.436 4.511 -4.416 1.00 . A A . 3 DAR CZ 1 1 10 1670 1 1 3 . H H 2.311 3.636 -1.368 1.00 . A A . 3 DAR H 1 1 10 1671 1 1 3 . HA H 0.372 2.410 -1.403 1.00 . A A . 3 DAR HA 1 1 10 1672 1 1 3 . HB2 H -1.616 3.434 -0.683 1.00 . A A . 3 DAR HB2 1 1 10 1673 1 1 3 . HB3 H -0.807 4.294 0.626 1.00 . A A . 3 DAR HB3 1 1 10 1674 1 1 3 . HD2 H -0.584 3.639 -2.818 1.00 . A A . 3 DAR HD2 1 1 10 1675 1 1 3 . HD3 H -1.023 5.243 -3.395 1.00 . A A . 3 DAR HD3 1 1 10 1676 1 1 3 . HE H 1.663 5.339 -2.605 1.00 . A A . 3 DAR HE 1 1 10 1677 1 1 3 . HG2 H -1.373 5.813 -1.246 1.00 . A A . 3 DAR HG2 1 1 10 1678 1 1 3 . HG3 H 0.369 5.710 -1.014 1.00 . A A . 3 DAR HG3 1 1 10 1679 1 1 3 . HH11 H 3.307 5.169 -4.144 1.00 . A A . 3 DAR HH11 1 1 10 1680 1 1 3 . HH12 H 2.988 4.431 -5.678 1.00 . A A . 3 DAR HH12 1 1 10 1681 1 1 3 . HH21 H -0.337 3.758 -4.986 1.00 . A A . 3 DAR HH21 1 1 10 1682 1 1 3 . HH22 H 0.937 3.639 -6.150 1.00 . A A . 3 DAR HH22 1 1 10 1683 1 1 3 . N N 1.733 3.745 -0.584 1.00 . A A . 3 DAR N 1 1 10 1684 1 1 3 . NE N 1.025 4.900 -3.207 1.00 . A A . 3 DAR NE 1 1 10 1685 1 1 3 . NH1 N 2.673 4.720 -4.774 1.00 . A A . 3 DAR NH1 1 1 10 1686 1 1 3 . NH2 N 0.613 3.923 -5.248 1.00 . A A . 3 DAR NH2 1 1 10 1687 1 1 3 . O O 0.106 2.441 1.799 1.00 . A A . 3 DAR O 1 1 10 1688 1 1 4 ARG C C 2.421 -0.843 1.525 1.00 . A A . 4 ARG C 1 1 10 1689 1 1 4 ARG CA C 1.070 -0.136 1.556 1.00 . A A . 4 ARG CA 1 1 10 1690 1 1 4 ARG CB C -0.052 -1.166 1.415 1.00 . A A . 4 ARG CB 1 1 10 1691 1 1 4 ARG CD C -2.524 -1.516 1.506 1.00 . A A . 4 ARG CD 1 1 10 1692 1 1 4 ARG CG C -1.402 -0.488 1.657 1.00 . A A . 4 ARG CG 1 1 10 1693 1 1 4 ARG CZ C -4.960 -1.577 1.656 1.00 . A A . 4 ARG CZ 1 1 10 1694 1 1 4 ARG H H 1.298 0.601 -0.418 1.00 . A A . 4 ARG H 1 1 10 1695 1 1 4 ARG HA H 0.961 0.373 2.503 1.00 . A A . 4 ARG HA 1 1 10 1696 1 1 4 ARG HB2 H -0.032 -1.585 0.419 1.00 . A A . 4 ARG HB2 1 1 10 1697 1 1 4 ARG HB3 H 0.089 -1.953 2.140 1.00 . A A . 4 ARG HB3 1 1 10 1698 1 1 4 ARG HD2 H -2.496 -1.931 0.510 1.00 . A A . 4 ARG HD2 1 1 10 1699 1 1 4 ARG HD3 H -2.382 -2.308 2.226 1.00 . A A . 4 ARG HD3 1 1 10 1700 1 1 4 ARG HE H -3.856 0.073 1.933 1.00 . A A . 4 ARG HE 1 1 10 1701 1 1 4 ARG HG2 H -1.423 -0.075 2.657 1.00 . A A . 4 ARG HG2 1 1 10 1702 1 1 4 ARG HG3 H -1.541 0.305 0.938 1.00 . A A . 4 ARG HG3 1 1 10 1703 1 1 4 ARG HH11 H -4.088 -3.334 1.223 1.00 . A A . 4 ARG HH11 1 1 10 1704 1 1 4 ARG HH12 H -5.813 -3.361 1.333 1.00 . A A . 4 ARG HH12 1 1 10 1705 1 1 4 ARG HH21 H -6.111 0.009 2.071 1.00 . A A . 4 ARG HH21 1 1 10 1706 1 1 4 ARG HH22 H -6.954 -1.482 1.810 1.00 . A A . 4 ARG HH22 1 1 10 1707 1 1 4 ARG N N 0.986 0.844 0.480 1.00 . A A . 4 ARG N 1 1 10 1708 1 1 4 ARG NE N -3.821 -0.885 1.727 1.00 . A A . 4 ARG NE 1 1 10 1709 1 1 4 ARG NH1 N -4.951 -2.857 1.382 1.00 . A A . 4 ARG NH1 1 1 10 1710 1 1 4 ARG NH2 N -6.097 -0.970 1.862 1.00 . A A . 4 ARG NH2 1 1 10 1711 1 1 4 ARG O O 2.830 -1.374 0.493 1.00 . A A . 4 ARG O 1 1 10 1712 1 1 5 TYR C C 4.653 -1.998 4.173 1.00 . A A . 5 TYR C 1 1 10 1713 1 1 5 TYR CA C 4.408 -1.505 2.752 1.00 . A A . 5 TYR CA 1 1 10 1714 1 1 5 TYR CB C 5.513 -0.528 2.346 1.00 . A A . 5 TYR CB 1 1 10 1715 1 1 5 TYR CD1 C 7.084 -1.878 0.909 1.00 . A A . 5 TYR CD1 1 1 10 1716 1 1 5 TYR CD2 C 7.729 -1.385 3.194 1.00 . A A . 5 TYR CD2 1 1 10 1717 1 1 5 TYR CE1 C 8.283 -2.576 0.721 1.00 . A A . 5 TYR CE1 1 1 10 1718 1 1 5 TYR CE2 C 8.927 -2.083 3.007 1.00 . A A . 5 TYR CE2 1 1 10 1719 1 1 5 TYR CG C 6.806 -1.282 2.146 1.00 . A A . 5 TYR CG 1 1 10 1720 1 1 5 TYR CZ C 9.205 -2.678 1.771 1.00 . A A . 5 TYR CZ 1 1 10 1721 1 1 5 TYR H H 2.731 -0.418 3.457 1.00 . A A . 5 TYR H 1 1 10 1722 1 1 5 TYR HA H 4.423 -2.350 2.080 1.00 . A A . 5 TYR HA 1 1 10 1723 1 1 5 TYR HB2 H 5.237 -0.035 1.425 1.00 . A A . 5 TYR HB2 1 1 10 1724 1 1 5 TYR HB3 H 5.645 0.210 3.124 1.00 . A A . 5 TYR HB3 1 1 10 1725 1 1 5 TYR HD1 H 6.373 -1.799 0.101 1.00 . A A . 5 TYR HD1 1 1 10 1726 1 1 5 TYR HD2 H 7.515 -0.926 4.148 1.00 . A A . 5 TYR HD2 1 1 10 1727 1 1 5 TYR HE1 H 8.498 -3.034 -0.232 1.00 . A A . 5 TYR HE1 1 1 10 1728 1 1 5 TYR HE2 H 9.639 -2.162 3.816 1.00 . A A . 5 TYR HE2 1 1 10 1729 1 1 5 TYR HH H 11.112 -2.764 1.768 1.00 . A A . 5 TYR HH 1 1 10 1730 1 1 5 TYR N N 3.108 -0.852 2.663 1.00 . A A . 5 TYR N 1 1 10 1731 1 1 5 TYR O O 5.474 -1.437 4.900 1.00 . A A . 5 TYR O 1 1 10 1732 1 1 5 TYR OH O 10.387 -3.366 1.585 1.00 . A A . 5 TYR OH 1 1 10 1733 1 1 6 DPR C C 4.167 -2.533 7.016 1.00 . A A . 6 DPR C 1 1 10 1734 1 1 6 DPR CA C 4.084 -3.611 5.938 1.00 . A A . 6 DPR CA 1 1 10 1735 1 1 6 DPR CB C 2.814 -4.446 6.090 1.00 . A A . 6 DPR CB 1 1 10 1736 1 1 6 DPR CD C 2.959 -3.745 3.764 1.00 . A A . 6 DPR CD 1 1 10 1737 1 1 6 DPR CG C 2.423 -4.833 4.701 1.00 . A A . 6 DPR CG 1 1 10 1738 1 1 6 DPR HA H 4.947 -4.255 5.988 1.00 . A A . 6 DPR HA 1 1 10 1739 1 1 6 DPR HB2 H 3.016 -5.327 6.685 1.00 . A A . 6 DPR HB2 1 1 10 1740 1 1 6 DPR HB3 H 2.031 -3.858 6.543 1.00 . A A . 6 DPR HB3 1 1 10 1741 1 1 6 DPR HD2 H 3.424 -4.191 2.896 1.00 . A A . 6 DPR HD2 1 1 10 1742 1 1 6 DPR HD3 H 2.166 -3.075 3.469 1.00 . A A . 6 DPR HD3 1 1 10 1743 1 1 6 DPR HG2 H 2.860 -5.790 4.449 1.00 . A A . 6 DPR HG2 1 1 10 1744 1 1 6 DPR HG3 H 1.349 -4.882 4.620 1.00 . A A . 6 DPR HG3 1 1 10 1745 1 1 6 DPR N N 3.954 -3.026 4.574 1.00 . A A . 6 DPR N 1 1 10 1746 1 1 6 DPR O O 3.308 -1.654 7.095 1.00 . A A . 6 DPR O 1 1 10 1747 1 1 7 ASP C C 6.882 -1.388 9.155 1.00 . A A . 7 ASP C 1 1 10 1748 1 1 7 ASP CA C 5.396 -1.621 8.899 1.00 . A A . 7 ASP CA 1 1 10 1749 1 1 7 ASP CB C 4.727 -2.111 10.185 1.00 . A A . 7 ASP CB 1 1 10 1750 1 1 7 ASP CG C 4.920 -1.085 11.297 1.00 . A A . 7 ASP CG 1 1 10 1751 1 1 7 ASP H H 5.864 -3.321 7.721 1.00 . A A . 7 ASP H 1 1 10 1752 1 1 7 ASP HA H 4.941 -0.690 8.601 1.00 . A A . 7 ASP HA 1 1 10 1753 1 1 7 ASP HB2 H 3.671 -2.253 10.007 1.00 . A A . 7 ASP HB2 1 1 10 1754 1 1 7 ASP HB3 H 5.170 -3.049 10.484 1.00 . A A . 7 ASP HB3 1 1 10 1755 1 1 7 ASP N N 5.208 -2.603 7.837 1.00 . A A . 7 ASP N 1 1 10 1756 1 1 7 ASP O O 7.508 -2.113 9.926 1.00 . A A . 7 ASP O 1 1 10 1757 1 1 7 ASP OD1 O 4.352 -0.011 11.191 1.00 . A A . 7 ASP OD1 1 1 10 1758 1 1 7 ASP OD2 O 5.634 -1.390 12.239 1.00 . A A . 7 ASP OD2 1 1 10 1759 1 1 8 THR C C 9.146 1.385 8.247 1.00 . A A . 8 THR C 1 1 10 1760 1 1 8 THR CA C 8.850 -0.048 8.688 1.00 . A A . 8 THR CA 1 1 10 1761 1 1 8 THR CB C 9.715 -1.032 7.890 1.00 . A A . 8 THR CB 1 1 10 1762 1 1 8 THR CG2 C 11.192 -0.800 8.216 1.00 . A A . 8 THR CG2 1 1 10 1763 1 1 8 THR H H 6.892 0.183 7.911 1.00 . A A . 8 THR H 1 1 10 1764 1 1 8 THR HA H 9.096 -0.145 9.735 1.00 . A A . 8 THR HA 1 1 10 1765 1 1 8 THR HB H 9.555 -0.883 6.835 1.00 . A A . 8 THR HB 1 1 10 1766 1 1 8 THR HG1 H 9.393 -2.437 9.196 1.00 . A A . 8 THR HG1 1 1 10 1767 1 1 8 THR HG21 H 11.805 -1.318 7.493 1.00 . A A . 8 THR HG21 1 1 10 1768 1 1 8 THR HG22 H 11.406 -1.177 9.205 1.00 . A A . 8 THR HG22 1 1 10 1769 1 1 8 THR HG23 H 11.409 0.257 8.179 1.00 . A A . 8 THR HG23 1 1 10 1770 1 1 8 THR N N 7.438 -0.366 8.510 1.00 . A A . 8 THR N 1 1 10 1771 1 1 8 THR O O 9.338 2.270 9.082 1.00 . A A . 8 THR O 1 1 10 1772 1 1 8 THR OG1 O 9.358 -2.362 8.239 1.00 . A A . 8 THR OG1 1 1 10 1773 1 1 9 MET C C 8.247 3.513 5.675 1.00 . A A . 9 MET C 1 1 10 1774 1 1 9 MET CA C 9.461 2.944 6.409 1.00 . A A . 9 MET CA 1 1 10 1775 1 1 9 MET CB C 10.653 2.888 5.452 1.00 . A A . 9 MET CB 1 1 10 1776 1 1 9 MET CE C 13.087 1.282 4.164 1.00 . A A . 9 MET CE 1 1 10 1777 1 1 9 MET CG C 11.929 2.590 6.241 1.00 . A A . 9 MET CG 1 1 10 1778 1 1 9 MET H H 9.024 0.873 6.313 1.00 . A A . 9 MET H 1 1 10 1779 1 1 9 MET HA H 9.708 3.599 7.230 1.00 . A A . 9 MET HA 1 1 10 1780 1 1 9 MET HB2 H 10.491 2.109 4.721 1.00 . A A . 9 MET HB2 1 1 10 1781 1 1 9 MET HB3 H 10.756 3.838 4.949 1.00 . A A . 9 MET HB3 1 1 10 1782 1 1 9 MET HE1 H 14.015 0.983 3.694 1.00 . A A . 9 MET HE1 1 1 10 1783 1 1 9 MET HE2 H 12.352 1.487 3.401 1.00 . A A . 9 MET HE2 1 1 10 1784 1 1 9 MET HE3 H 12.728 0.487 4.802 1.00 . A A . 9 MET HE3 1 1 10 1785 1 1 9 MET HG2 H 12.012 3.283 7.065 1.00 . A A . 9 MET HG2 1 1 10 1786 1 1 9 MET HG3 H 11.889 1.581 6.621 1.00 . A A . 9 MET HG3 1 1 10 1787 1 1 9 MET N N 9.184 1.612 6.935 1.00 . A A . 9 MET N 1 1 10 1788 1 1 9 MET O O 8.156 4.722 5.462 1.00 . A A . 9 MET O 1 1 10 1789 1 1 9 MET SD S 13.365 2.770 5.155 1.00 . A A . 9 MET SD 1 1 10 1790 1 1 10 TYR C C 6.512 3.863 3.313 1.00 . A A . 10 TYR C 1 1 10 1791 1 1 10 TYR CA C 6.129 3.081 4.567 1.00 . A A . 10 TYR CA 1 1 10 1792 1 1 10 TYR CB C 5.265 3.959 5.474 1.00 . A A . 10 TYR CB 1 1 10 1793 1 1 10 TYR CD1 C 5.226 2.873 7.750 1.00 . A A . 10 TYR CD1 1 1 10 1794 1 1 10 TYR CD2 C 3.344 2.532 6.259 1.00 . A A . 10 TYR CD2 1 1 10 1795 1 1 10 TYR CE1 C 4.603 2.076 8.718 1.00 . A A . 10 TYR CE1 1 1 10 1796 1 1 10 TYR CE2 C 2.720 1.736 7.227 1.00 . A A . 10 TYR CE2 1 1 10 1797 1 1 10 TYR CG C 4.596 3.100 6.520 1.00 . A A . 10 TYR CG 1 1 10 1798 1 1 10 TYR CZ C 3.350 1.508 8.457 1.00 . A A . 10 TYR CZ 1 1 10 1799 1 1 10 TYR H H 7.445 1.687 5.473 1.00 . A A . 10 TYR H 1 1 10 1800 1 1 10 TYR HA H 5.556 2.213 4.275 1.00 . A A . 10 TYR HA 1 1 10 1801 1 1 10 TYR HB2 H 5.888 4.697 5.958 1.00 . A A . 10 TYR HB2 1 1 10 1802 1 1 10 TYR HB3 H 4.512 4.456 4.882 1.00 . A A . 10 TYR HB3 1 1 10 1803 1 1 10 TYR HD1 H 6.192 3.311 7.951 1.00 . A A . 10 TYR HD1 1 1 10 1804 1 1 10 TYR HD2 H 2.858 2.708 5.311 1.00 . A A . 10 TYR HD2 1 1 10 1805 1 1 10 TYR HE1 H 5.088 1.900 9.666 1.00 . A A . 10 TYR HE1 1 1 10 1806 1 1 10 TYR HE2 H 1.754 1.298 7.025 1.00 . A A . 10 TYR HE2 1 1 10 1807 1 1 10 TYR HH H 2.512 -0.118 9.004 1.00 . A A . 10 TYR HH 1 1 10 1808 1 1 10 TYR N N 7.322 2.640 5.282 1.00 . A A . 10 TYR N 1 1 10 1809 1 1 10 TYR O O 6.791 5.060 3.377 1.00 . A A . 10 TYR O 1 1 10 1810 1 1 10 TYR OH O 2.734 0.724 9.410 1.00 . A A . 10 TYR OH 1 1 stop_ save_
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