NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
582959 | 2mj1 | 19701 | cing | 4-filtered-FRED | STAR | entry | full | 38 |
data_FRED_restraints_with_modified_coordinates_PDB_code_2mj1 # This FRED archive file contains, for PDB entry <2mj1>: # # - 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_2mj1 _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 2mj1 _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "not present" _Assembly.Molecular_mass 1849.11 loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 . 1 $Amyloid_beta_A4_protein A . 1 1 stop_ save_ save_Amyloid_beta_A4_protein _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name "Amyloid beta A4 protein" _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code LVFFAEDVGSNKGAIIGL _Entity.Number_of_monomers 18 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 VAL . 1 1 3 PHE . 1 1 4 PHE . 1 1 5 ALA . 1 1 6 GLU . 1 1 7 ASP . 1 1 8 VAL . 1 1 9 GLY . 1 1 10 SER . 1 1 11 ASN . 1 1 12 LYS . 1 1 13 GLY . 1 1 14 ALA . 1 1 15 ILE . 1 1 16 ILE . 1 1 17 GLY . 1 1 18 LEU . 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 VAL 2 2 1 1 PHE 3 3 1 1 PHE 4 4 1 1 ALA 5 5 1 1 GLU 6 6 1 1 ASP 7 7 1 1 VAL 8 8 1 1 GLY 9 9 1 1 SER 10 10 1 1 ASN 11 11 1 1 LYS 12 12 1 1 GLY 13 13 1 1 ALA 14 14 1 1 ILE 15 15 1 1 ILE 16 16 1 1 GLY 17 17 1 1 LEU 18 18 1 1 stop_ save_ save_CNS/XPLOR_distance_constraints_2_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID . _Distance_constraint_list.Block_ID . loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . 1 1 2 1 . . . 1 1 3 1 . . . 1 1 4 1 . . . 1 1 5 1 . . . 1 1 6 1 . . . 1 1 7 1 . . . 1 1 8 1 . . . 1 1 9 1 . . . 1 1 10 1 . . . 1 1 11 1 . . . 1 1 12 1 . . . 1 1 13 1 . . . 1 1 14 1 . . . 1 1 15 1 . . . 1 1 16 1 . . . 1 1 17 1 . . . 1 1 18 1 . . . 1 1 19 1 . . . 1 1 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 14 ALA HA . 14 . HA 1 1 1 1 2 1 1 18 LEU H . 18 . HN 1 1 2 1 1 1 1 12 LYS HA . 12 . HA 1 1 2 1 2 1 1 16 ILE H . 16 . HN 1 1 3 1 1 1 1 11 ASN HA . 11 . HA 1 1 3 1 2 1 1 15 ILE H . 15 . HN 1 1 4 1 1 1 1 10 SER HA . 10 . HA 1 1 4 1 2 1 1 14 ALA H . 14 . HN 1 1 5 1 1 1 1 7 ASP HA . 7 . HA 1 1 5 1 2 1 1 11 ASN H . 11 . HN 1 1 6 1 1 1 1 4 PHE HA . 4 . HA 1 1 6 1 2 1 1 8 VAL H . 8 . HN 1 1 7 1 1 1 1 3 PHE HA . 3 . HA 1 1 7 1 2 1 1 7 ASP H . 7 . HN 1 1 8 1 1 1 1 16 ILE HA . 16 . HA 1 1 8 1 2 1 1 17 GLY H . 17 . HN 1 1 9 1 1 1 1 15 ILE HA . 15 . HA 1 1 9 1 2 1 1 16 ILE H . 16 . HN 1 1 10 1 1 1 1 14 ALA HA . 14 . HA 1 1 10 1 2 1 1 15 ILE H . 15 . HN 1 1 11 1 1 1 1 12 LYS HA . 12 . HA 1 1 11 1 2 1 1 13 GLY H . 13 . HN 1 1 12 1 1 1 1 11 ASN HA . 11 . HA 1 1 12 1 2 1 1 12 LYS H . 12 . HN 1 1 13 1 1 1 1 8 VAL HA . 8 . HA 1 1 13 1 2 1 1 9 GLY H . 9 . HN 1 1 14 1 1 1 1 7 ASP HA . 7 . HA 1 1 14 1 2 1 1 8 VAL H . 8 . HN 1 1 15 1 1 1 1 6 GLU HA . 6 . HA 1 1 15 1 2 1 1 7 ASP H . 7 . HN 1 1 16 1 1 1 1 5 ALA HA . 5 . HA 1 1 16 1 2 1 1 6 GLU H . 6 . HN 1 1 17 1 1 1 1 4 PHE HA . 4 . HA 1 1 17 1 2 1 1 5 ALA H . 5 . HN 1 1 18 1 1 1 1 3 PHE HA . 3 . HA 1 1 18 1 2 1 1 4 PHE H . 4 . HN 1 1 19 1 1 1 1 2 VAL HA . 2 . HA 1 1 19 1 2 1 1 3 PHE H . 3 . HN 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 3.6 4.4 1 1 2 1 . . . . . 4.0 3.6 4.4 1 1 3 1 . . . . . 4.0 3.6 4.4 1 1 4 1 . . . . . 4.0 3.6 4.4 1 1 5 1 . . . . . 4.0 3.6 4.4 1 1 6 1 . . . . . 4.0 3.6 4.4 1 1 7 1 . . . . . 4.0 3.6 4.4 1 1 8 1 . . . . . 3.5 3.1 4.0 1 1 9 1 . . . . . 3.5 3.1 4.0 1 1 10 1 . . . . . 3.5 3.1 4.0 1 1 11 1 . . . . . 3.5 3.1 4.0 1 1 12 1 . . . . . 3.5 2.0 4.0 1 1 13 1 . . . . . 3.5 3.1 4.0 1 1 14 1 . . . . . 3.5 3.1 4.0 1 1 15 1 . . . . . 3.5 3.1 4.0 1 1 16 1 . . . . . 3.5 3.1 4.0 1 1 17 1 . . . . . 3.5 3.1 4.0 1 1 18 1 . . . . . 3.5 3.1 4.0 1 1 19 1 . . . . . 3.5 3.1 4.0 1 1 stop_ save_ save_CNS/XPLOR_distance_constraints_4_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 2 _Distance_constraint_list.Constraint_type "hydrogen bond" _Distance_constraint_list.Constraint_file_ID . _Distance_constraint_list.Block_ID . loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . 1 2 2 1 . . . 1 2 3 1 . . . 1 2 4 1 . . . 1 2 5 1 . . . 1 2 6 1 . . . 1 2 7 1 . . . 1 2 8 1 . . . 1 2 9 1 . . . 1 2 10 1 . . . 1 2 11 1 . . . 1 2 12 1 . . . 1 2 13 1 . . . 1 2 14 1 . . . 1 2 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 1 1 14 ALA O . 14 . O 1 2 1 1 2 1 1 18 LEU H . 18 . HN 1 2 2 1 1 1 1 12 LYS O . 12 . O 1 2 2 1 2 1 1 16 ILE H . 16 . HN 1 2 3 1 1 1 1 11 ASN O . 11 . O 1 2 3 1 2 1 1 15 ILE H . 15 . HN 1 2 4 1 1 1 1 10 SER O . 10 . O 1 2 4 1 2 1 1 14 ALA H . 14 . HN 1 2 5 1 1 1 1 7 ASP O . 7 . O 1 2 5 1 2 1 1 11 ASN H . 11 . HN 1 2 6 1 1 1 1 4 PHE O . 4 . O 1 2 6 1 2 1 1 8 VAL H . 8 . HN 1 2 7 1 1 1 1 3 PHE O . 3 . O 1 2 7 1 2 1 1 7 ASP H . 7 . HN 1 2 8 1 1 1 1 14 ALA O . 14 . O 1 2 8 1 2 1 1 18 LEU N . 18 . N 1 2 9 1 1 1 1 12 LYS O . 12 . O 1 2 9 1 2 1 1 16 ILE N . 16 . N 1 2 10 1 1 1 1 11 ASN O . 11 . O 1 2 10 1 2 1 1 15 ILE N . 15 . N 1 2 11 1 1 1 1 10 SER O . 10 . O 1 2 11 1 2 1 1 14 ALA N . 14 . N 1 2 12 1 1 1 1 7 ASP O . 7 . O 1 2 12 1 2 1 1 11 ASN N . 11 . N 1 2 13 1 1 1 1 4 PHE O . 4 . O 1 2 13 1 2 1 1 8 VAL N . 8 . N 1 2 14 1 1 1 1 3 PHE O . 3 . O 1 2 14 1 2 1 1 7 ASP N . 7 . N 1 2 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 1.2 0.7 1.7 1 2 2 1 . . . . . 1.2 0.7 1.7 1 2 3 1 . . . . . 1.2 0.7 1.7 1 2 4 1 . . . . . 1.2 0.7 1.7 1 2 5 1 . . . . . 1.2 0.7 1.7 1 2 6 1 . . . . . 1.2 0.7 1.7 1 2 7 1 . . . . . 1.2 0.7 1.7 1 2 8 1 . . . . . 2.0 1.5 2.5 1 2 9 1 . . . . . 2.0 1.5 2.5 1 2 10 1 . . . . . 2.0 1.5 2.5 1 2 11 1 . . . . . 2.0 1.5 2.5 1 2 12 1 . . . . . 2.0 1.5 2.5 1 2 13 1 . . . . . 2.0 1.5 2.5 1 2 14 1 . . . . . 2.0 1.5 2.5 1 2 stop_ save_ save_CNS/XPLOR_dihedral_3 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID 1 _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID . _Torsion_angle_constraint_list.Block_ID . loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 . 1 1 3 PHE C 1 1 4 PHE N 1 1 4 PHE CA 1 1 4 PHE C -70.0 -50.0 . 3 . C . 4 . N . 4 . CA . 4 . C 1 1 2 . 1 1 4 PHE C 1 1 5 ALA N 1 1 5 ALA CA 1 1 5 ALA C -70.0 -50.0 . 4 . C . 5 . N . 5 . CA . 5 . C 1 1 3 . 1 1 6 GLU C 1 1 7 ASP N 1 1 7 ASP CA 1 1 7 ASP C -70.0 -50.0 . 6 . C . 7 . N . 7 . CA . 7 . C 1 1 4 . 1 1 8 VAL C 1 1 9 GLY N 1 1 9 GLY CA 1 1 9 GLY C -70.0 -50.0 . 8 . C . 9 . N . 9 . CA . 9 . C 1 1 5 . 1 1 16 ILE C 1 1 17 GLY N 1 1 17 GLY CA 1 1 17 GLY C -70.0 -50.0 . 16 . C . 17 . N . 17 . CA . 17 . C 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 -12.554 0.530 0.943 1.00 . A A . 1 LEU C 1 1 1 2 1 1 1 LEU CA C -13.473 1.565 0.285 1.00 . A A . 1 LEU CA 1 1 1 3 1 1 1 LEU CB C -14.344 0.897 -0.795 1.00 . A A . 1 LEU CB 1 1 1 4 1 1 1 LEU CD1 C -16.764 1.053 -0.099 1.00 . A A . 1 LEU CD1 1 1 1 5 1 1 1 LEU CD2 C -15.918 -1.009 -1.237 1.00 . A A . 1 LEU CD2 1 1 1 6 1 1 1 LEU CG C -15.570 0.123 -0.283 1.00 . A A . 1 LEU CG 1 1 1 7 1 1 1 LEU H1 H -12.125 3.153 0.421 1.00 . A A . 1 LEU H1 1 1 1 8 1 1 1 LEU H2 H -13.318 3.365 -0.760 1.00 . A A . 1 LEU H2 1 1 1 9 1 1 1 LEU H3 H -12.034 2.299 -1.037 1.00 . A A . 1 LEU H3 1 1 1 10 1 1 1 LEU HA H -14.117 1.985 1.044 1.00 . A A . 1 LEU HA 1 1 1 11 1 1 1 LEU HB2 H -14.689 1.665 -1.470 1.00 . A A . 1 LEU HB2 1 1 1 12 1 1 1 LEU HB3 H -13.722 0.210 -1.350 1.00 . A A . 1 LEU HB3 1 1 1 13 1 1 1 LEU HD11 H -17.012 1.511 -1.045 1.00 . A A . 1 LEU HD11 1 1 1 14 1 1 1 LEU HD12 H -16.515 1.821 0.618 1.00 . A A . 1 LEU HD12 1 1 1 15 1 1 1 LEU HD13 H -17.610 0.485 0.260 1.00 . A A . 1 LEU HD13 1 1 1 16 1 1 1 LEU HD21 H -15.086 -1.695 -1.300 1.00 . A A . 1 LEU HD21 1 1 1 17 1 1 1 LEU HD22 H -16.126 -0.604 -2.216 1.00 . A A . 1 LEU HD22 1 1 1 18 1 1 1 LEU HD23 H -16.789 -1.532 -0.871 1.00 . A A . 1 LEU HD23 1 1 1 19 1 1 1 LEU HG H -15.336 -0.310 0.679 1.00 . A A . 1 LEU HG 1 1 1 20 1 1 1 LEU N N -12.683 2.673 -0.315 1.00 . A A . 1 LEU N 1 1 1 21 1 1 1 LEU O O -12.845 0.050 2.043 1.00 . A A . 1 LEU O 1 1 1 22 1 1 2 VAL C C -9.145 -0.073 1.093 1.00 . A A . 2 VAL C 1 1 1 23 1 1 2 VAL CA C -10.482 -0.781 0.770 1.00 . A A . 2 VAL CA 1 1 1 24 1 1 2 VAL CB C -10.251 -1.961 -0.233 1.00 . A A . 2 VAL CB 1 1 1 25 1 1 2 VAL CG1 C -9.948 -3.255 0.515 1.00 . A A . 2 VAL CG1 1 1 1 26 1 1 2 VAL CG2 C -11.445 -2.168 -1.163 1.00 . A A . 2 VAL CG2 1 1 1 27 1 1 2 VAL H H -11.285 0.620 -0.607 1.00 . A A . 2 VAL H 1 1 1 28 1 1 2 VAL HA H -10.890 -1.189 1.689 1.00 . A A . 2 VAL HA 1 1 1 29 1 1 2 VAL HB H -9.390 -1.720 -0.841 1.00 . A A . 2 VAL HB 1 1 1 30 1 1 2 VAL HG11 H -9.100 -3.106 1.167 1.00 . A A . 2 VAL HG11 1 1 1 31 1 1 2 VAL HG12 H -9.723 -4.037 -0.195 1.00 . A A . 2 VAL HG12 1 1 1 32 1 1 2 VAL HG13 H -10.808 -3.540 1.103 1.00 . A A . 2 VAL HG13 1 1 1 33 1 1 2 VAL HG21 H -12.324 -2.393 -0.577 1.00 . A A . 2 VAL HG21 1 1 1 34 1 1 2 VAL HG22 H -11.241 -2.989 -1.834 1.00 . A A . 2 VAL HG22 1 1 1 35 1 1 2 VAL HG23 H -11.615 -1.269 -1.737 1.00 . A A . 2 VAL HG23 1 1 1 36 1 1 2 VAL N N -11.451 0.197 0.261 1.00 . A A . 2 VAL N 1 1 1 37 1 1 2 VAL O O -9.141 1.131 1.372 1.00 . A A . 2 VAL O 1 1 1 38 1 1 3 PHE C C -5.674 -0.622 0.278 1.00 . A A . 3 PHE C 1 1 1 39 1 1 3 PHE CA C -6.700 -0.247 1.352 1.00 . A A . 3 PHE CA 1 1 1 40 1 1 3 PHE CB C -6.208 -0.721 2.724 1.00 . A A . 3 PHE CB 1 1 1 41 1 1 3 PHE CD1 C -8.104 -0.806 4.371 1.00 . A A . 3 PHE CD1 1 1 1 42 1 1 3 PHE CD2 C -6.595 1.039 4.474 1.00 . A A . 3 PHE CD2 1 1 1 43 1 1 3 PHE CE1 C -8.818 -0.285 5.433 1.00 . A A . 3 PHE CE1 1 1 1 44 1 1 3 PHE CE2 C -7.306 1.565 5.536 1.00 . A A . 3 PHE CE2 1 1 1 45 1 1 3 PHE CG C -6.985 -0.151 3.880 1.00 . A A . 3 PHE CG 1 1 1 46 1 1 3 PHE CZ C -8.419 0.902 6.016 1.00 . A A . 3 PHE CZ 1 1 1 47 1 1 3 PHE H H -8.081 -1.762 0.816 1.00 . A A . 3 PHE H 1 1 1 48 1 1 3 PHE HA H -6.801 0.828 1.371 1.00 . A A . 3 PHE HA 1 1 1 49 1 1 3 PHE HB2 H -6.285 -1.796 2.773 1.00 . A A . 3 PHE HB2 1 1 1 50 1 1 3 PHE HB3 H -5.174 -0.434 2.845 1.00 . A A . 3 PHE HB3 1 1 1 51 1 1 3 PHE HD1 H -8.416 -1.734 3.916 1.00 . A A . 3 PHE HD1 1 1 1 52 1 1 3 PHE HD2 H -5.726 1.559 4.099 1.00 . A A . 3 PHE HD2 1 1 1 53 1 1 3 PHE HE1 H -9.688 -0.805 5.806 1.00 . A A . 3 PHE HE1 1 1 1 54 1 1 3 PHE HE2 H -6.992 2.493 5.990 1.00 . A A . 3 PHE HE2 1 1 1 55 1 1 3 PHE HZ H -8.976 1.311 6.846 1.00 . A A . 3 PHE HZ 1 1 1 56 1 1 3 PHE N N -8.021 -0.814 1.057 1.00 . A A . 3 PHE N 1 1 1 57 1 1 3 PHE O O -4.641 0.042 0.144 1.00 . A A . 3 PHE O 1 1 1 58 1 1 4 PHE C C -4.860 -1.100 -2.643 1.00 . A A . 4 PHE C 1 1 1 59 1 1 4 PHE CA C -5.088 -2.171 -1.563 1.00 . A A . 4 PHE CA 1 1 1 60 1 1 4 PHE CB C -5.681 -3.446 -2.184 1.00 . A A . 4 PHE CB 1 1 1 61 1 1 4 PHE CD1 C -3.976 -5.288 -2.002 1.00 . A A . 4 PHE CD1 1 1 1 62 1 1 4 PHE CD2 C -4.386 -4.329 -4.148 1.00 . A A . 4 PHE CD2 1 1 1 63 1 1 4 PHE CE1 C -3.041 -6.140 -2.558 1.00 . A A . 4 PHE CE1 1 1 1 64 1 1 4 PHE CE2 C -3.452 -5.180 -4.709 1.00 . A A . 4 PHE CE2 1 1 1 65 1 1 4 PHE CG C -4.659 -4.373 -2.790 1.00 . A A . 4 PHE CG 1 1 1 66 1 1 4 PHE CZ C -2.778 -6.086 -3.913 1.00 . A A . 4 PHE CZ 1 1 1 67 1 1 4 PHE H H -6.822 -2.149 -0.338 1.00 . A A . 4 PHE H 1 1 1 68 1 1 4 PHE HA H -4.138 -2.414 -1.113 1.00 . A A . 4 PHE HA 1 1 1 69 1 1 4 PHE HB2 H -6.209 -3.996 -1.420 1.00 . A A . 4 PHE HB2 1 1 1 70 1 1 4 PHE HB3 H -6.377 -3.166 -2.962 1.00 . A A . 4 PHE HB3 1 1 1 71 1 1 4 PHE HD1 H -4.180 -5.331 -0.942 1.00 . A A . 4 PHE HD1 1 1 1 72 1 1 4 PHE HD2 H -4.911 -3.621 -4.771 1.00 . A A . 4 PHE HD2 1 1 1 73 1 1 4 PHE HE1 H -2.515 -6.847 -1.933 1.00 . A A . 4 PHE HE1 1 1 1 74 1 1 4 PHE HE2 H -3.249 -5.136 -5.768 1.00 . A A . 4 PHE HE2 1 1 1 75 1 1 4 PHE HZ H -2.048 -6.751 -4.349 1.00 . A A . 4 PHE HZ 1 1 1 76 1 1 4 PHE N N -5.975 -1.682 -0.494 1.00 . A A . 4 PHE N 1 1 1 77 1 1 4 PHE O O -3.712 -0.822 -3.016 1.00 . A A . 4 PHE O 1 1 1 78 1 1 5 ALA C C -5.070 1.772 -3.711 1.00 . A A . 5 ALA C 1 1 1 79 1 1 5 ALA CA C -5.923 0.572 -4.140 1.00 . A A . 5 ALA CA 1 1 1 80 1 1 5 ALA CB C -7.334 1.027 -4.478 1.00 . A A . 5 ALA CB 1 1 1 81 1 1 5 ALA H H -6.835 -0.738 -2.738 1.00 . A A . 5 ALA H 1 1 1 82 1 1 5 ALA HA H -5.490 0.140 -5.031 1.00 . A A . 5 ALA HA 1 1 1 83 1 1 5 ALA HB1 H -7.782 1.486 -3.609 1.00 . A A . 5 ALA HB1 1 1 1 84 1 1 5 ALA HB2 H -7.925 0.174 -4.779 1.00 . A A . 5 ALA HB2 1 1 1 85 1 1 5 ALA HB3 H -7.298 1.743 -5.286 1.00 . A A . 5 ALA HB3 1 1 1 86 1 1 5 ALA N N -5.964 -0.479 -3.106 1.00 . A A . 5 ALA N 1 1 1 87 1 1 5 ALA O O -4.517 2.483 -4.556 1.00 . A A . 5 ALA O 1 1 1 88 1 1 6 GLU C C -2.767 2.580 -1.496 1.00 . A A . 6 GLU C 1 1 1 89 1 1 6 GLU CA C -4.179 3.071 -1.822 1.00 . A A . 6 GLU CA 1 1 1 90 1 1 6 GLU CB C -4.847 3.628 -0.559 1.00 . A A . 6 GLU CB 1 1 1 91 1 1 6 GLU CD C -6.733 4.989 0.432 1.00 . A A . 6 GLU CD 1 1 1 92 1 1 6 GLU CG C -6.090 4.462 -0.836 1.00 . A A . 6 GLU CG 1 1 1 93 1 1 6 GLU H H -5.462 1.387 -1.784 1.00 . A A . 6 GLU H 1 1 1 94 1 1 6 GLU HA H -4.113 3.855 -2.562 1.00 . A A . 6 GLU HA 1 1 1 95 1 1 6 GLU HB2 H -5.129 2.803 0.078 1.00 . A A . 6 GLU HB2 1 1 1 96 1 1 6 GLU HB3 H -4.135 4.248 -0.035 1.00 . A A . 6 GLU HB3 1 1 1 97 1 1 6 GLU HG2 H -5.814 5.301 -1.457 1.00 . A A . 6 GLU HG2 1 1 1 98 1 1 6 GLU HG3 H -6.809 3.849 -1.359 1.00 . A A . 6 GLU HG3 1 1 1 99 1 1 6 GLU N N -4.977 1.983 -2.392 1.00 . A A . 6 GLU N 1 1 1 100 1 1 6 GLU O O -1.790 3.311 -1.681 1.00 . A A . 6 GLU O 1 1 1 101 1 1 6 GLU OE1 O -7.599 4.287 0.994 1.00 . A A . 6 GLU OE1 1 1 1 102 1 1 6 GLU OE2 O -6.369 6.103 0.863 1.00 . A A . 6 GLU OE2 1 1 1 103 1 1 7 ASP C C -0.548 0.358 -1.890 1.00 . A A . 7 ASP C 1 1 1 104 1 1 7 ASP CA C -1.394 0.702 -0.654 1.00 . A A . 7 ASP CA 1 1 1 105 1 1 7 ASP CB C -1.627 -0.560 0.180 1.00 . A A . 7 ASP CB 1 1 1 106 1 1 7 ASP CG C -1.890 -0.249 1.641 1.00 . A A . 7 ASP CG 1 1 1 107 1 1 7 ASP H H -3.501 0.814 -0.879 1.00 . A A . 7 ASP H 1 1 1 108 1 1 7 ASP HA H -0.844 1.411 -0.054 1.00 . A A . 7 ASP HA 1 1 1 109 1 1 7 ASP HB2 H -2.479 -1.091 -0.214 1.00 . A A . 7 ASP HB2 1 1 1 110 1 1 7 ASP HB3 H -0.753 -1.192 0.117 1.00 . A A . 7 ASP HB3 1 1 1 111 1 1 7 ASP N N -2.676 1.329 -1.007 1.00 . A A . 7 ASP N 1 1 1 112 1 1 7 ASP O O 0.685 0.347 -1.810 1.00 . A A . 7 ASP O 1 1 1 113 1 1 7 ASP OD1 O -0.967 0.254 2.315 1.00 . A A . 7 ASP OD1 1 1 1 114 1 1 7 ASP OD2 O -3.017 -0.508 2.111 1.00 . A A . 7 ASP OD2 1 1 1 115 1 1 8 VAL C C 0.393 0.872 -4.808 1.00 . A A . 8 VAL C 1 1 1 116 1 1 8 VAL CA C -0.511 -0.266 -4.294 1.00 . A A . 8 VAL CA 1 1 1 117 1 1 8 VAL CB C -1.483 -0.696 -5.435 1.00 . A A . 8 VAL CB 1 1 1 118 1 1 8 VAL CG1 C -2.009 -2.100 -5.186 1.00 . A A . 8 VAL CG1 1 1 1 119 1 1 8 VAL CG2 C -2.645 0.285 -5.617 1.00 . A A . 8 VAL CG2 1 1 1 120 1 1 8 VAL H H -2.196 0.098 -3.027 1.00 . A A . 8 VAL H 1 1 1 121 1 1 8 VAL HA H 0.123 -1.114 -4.074 1.00 . A A . 8 VAL HA 1 1 1 122 1 1 8 VAL HB H -0.919 -0.717 -6.357 1.00 . A A . 8 VAL HB 1 1 1 123 1 1 8 VAL HG11 H -1.181 -2.793 -5.148 1.00 . A A . 8 VAL HG11 1 1 1 124 1 1 8 VAL HG12 H -2.677 -2.381 -5.987 1.00 . A A . 8 VAL HG12 1 1 1 125 1 1 8 VAL HG13 H -2.542 -2.124 -4.247 1.00 . A A . 8 VAL HG13 1 1 1 126 1 1 8 VAL HG21 H -3.306 -0.079 -6.390 1.00 . A A . 8 VAL HG21 1 1 1 127 1 1 8 VAL HG22 H -2.259 1.253 -5.900 1.00 . A A . 8 VAL HG22 1 1 1 128 1 1 8 VAL HG23 H -3.191 0.373 -4.689 1.00 . A A . 8 VAL HG23 1 1 1 129 1 1 8 VAL N N -1.214 0.080 -3.033 1.00 . A A . 8 VAL N 1 1 1 130 1 1 8 VAL O O 1.341 0.621 -5.558 1.00 . A A . 8 VAL O 1 1 1 131 1 1 9 GLY C C 2.262 3.332 -4.187 1.00 . A A . 9 GLY C 1 1 1 132 1 1 9 GLY CA C 0.869 3.281 -4.810 1.00 . A A . 9 GLY CA 1 1 1 133 1 1 9 GLY H H -0.684 2.238 -3.803 1.00 . A A . 9 GLY H 1 1 1 134 1 1 9 GLY HA2 H 0.973 3.264 -5.885 1.00 . A A . 9 GLY HA2 1 1 1 135 1 1 9 GLY HA3 H 0.331 4.174 -4.529 1.00 . A A . 9 GLY HA3 1 1 1 136 1 1 9 GLY N N 0.086 2.114 -4.397 1.00 . A A . 9 GLY N 1 1 1 137 1 1 9 GLY O O 3.157 3.995 -4.720 1.00 . A A . 9 GLY O 1 1 1 138 1 1 10 SER C C 4.179 1.127 -2.182 1.00 . A A . 10 SER C 1 1 1 139 1 1 10 SER CA C 3.711 2.580 -2.353 1.00 . A A . 10 SER CA 1 1 1 140 1 1 10 SER CB C 3.580 3.272 -0.989 1.00 . A A . 10 SER CB 1 1 1 141 1 1 10 SER H H 1.672 2.130 -2.697 1.00 . A A . 10 SER H 1 1 1 142 1 1 10 SER HA H 4.435 3.113 -2.951 1.00 . A A . 10 SER HA 1 1 1 143 1 1 10 SER HB2 H 2.773 2.817 -0.434 1.00 . A A . 10 SER HB2 1 1 1 144 1 1 10 SER HB3 H 4.500 3.162 -0.436 1.00 . A A . 10 SER HB3 1 1 1 145 1 1 10 SER HG H 3.548 4.932 -2.028 1.00 . A A . 10 SER HG 1 1 1 146 1 1 10 SER N N 2.432 2.630 -3.061 1.00 . A A . 10 SER N 1 1 1 147 1 1 10 SER O O 5.335 0.787 -2.496 1.00 . A A . 10 SER O 1 1 1 148 1 1 10 SER OG O 3.302 4.652 -1.143 1.00 . A A . 10 SER OG 1 1 1 149 1 1 11 ASN C C 4.839 -1.477 -0.760 1.00 . A A . 11 ASN C 1 1 1 150 1 1 11 ASN CA C 3.489 -1.173 -1.439 1.00 . A A . 11 ASN CA 1 1 1 151 1 1 11 ASN CB C 3.348 -1.937 -2.774 1.00 . A A . 11 ASN CB 1 1 1 152 1 1 11 ASN CG C 2.777 -3.332 -2.600 1.00 . A A . 11 ASN CG 1 1 1 153 1 1 11 ASN H H 2.377 0.638 -1.439 1.00 . A A . 11 ASN H 1 1 1 154 1 1 11 ASN HA H 2.713 -1.506 -0.774 1.00 . A A . 11 ASN HA 1 1 1 155 1 1 11 ASN HB2 H 2.693 -1.383 -3.430 1.00 . A A . 11 ASN HB2 1 1 1 156 1 1 11 ASN HB3 H 4.321 -2.021 -3.235 1.00 . A A . 11 ASN HB3 1 1 1 157 1 1 11 ASN HD21 H 4.602 -4.116 -2.678 1.00 . A A . 11 ASN HD21 1 1 1 158 1 1 11 ASN HD22 H 3.310 -5.243 -2.468 1.00 . A A . 11 ASN HD22 1 1 1 159 1 1 11 ASN N N 3.260 0.275 -1.669 1.00 . A A . 11 ASN N 1 1 1 160 1 1 11 ASN ND2 N 3.651 -4.331 -2.580 1.00 . A A . 11 ASN ND2 1 1 1 161 1 1 11 ASN O O 5.531 -0.557 -0.299 1.00 . A A . 11 ASN O 1 1 1 162 1 1 11 ASN OD1 O 1.564 -3.511 -2.497 1.00 . A A . 11 ASN OD1 1 1 1 163 1 1 12 LYS C C 7.646 -2.429 -0.585 1.00 . A A . 12 LYS C 1 1 1 164 1 1 12 LYS CA C 6.450 -3.247 -0.084 1.00 . A A . 12 LYS CA 1 1 1 165 1 1 12 LYS CB C 6.668 -4.740 -0.387 1.00 . A A . 12 LYS CB 1 1 1 166 1 1 12 LYS CD C 4.460 -5.900 0.064 1.00 . A A . 12 LYS CD 1 1 1 167 1 1 12 LYS CE C 3.695 -6.834 0.993 1.00 . A A . 12 LYS CE 1 1 1 168 1 1 12 LYS CG C 5.897 -5.688 0.531 1.00 . A A . 12 LYS CG 1 1 1 169 1 1 12 LYS H H 4.578 -3.451 -1.061 1.00 . A A . 12 LYS H 1 1 1 170 1 1 12 LYS HA H 6.365 -3.123 0.981 1.00 . A A . 12 LYS HA 1 1 1 171 1 1 12 LYS HB2 H 6.362 -4.934 -1.404 1.00 . A A . 12 LYS HB2 1 1 1 172 1 1 12 LYS HB3 H 7.722 -4.960 -0.292 1.00 . A A . 12 LYS HB3 1 1 1 173 1 1 12 LYS HD2 H 3.957 -4.945 0.038 1.00 . A A . 12 LYS HD2 1 1 1 174 1 1 12 LYS HD3 H 4.475 -6.327 -0.928 1.00 . A A . 12 LYS HD3 1 1 1 175 1 1 12 LYS HE2 H 3.865 -6.523 2.013 1.00 . A A . 12 LYS HE2 1 1 1 176 1 1 12 LYS HE3 H 2.641 -6.760 0.766 1.00 . A A . 12 LYS HE3 1 1 1 177 1 1 12 LYS HG2 H 6.399 -6.644 0.545 1.00 . A A . 12 LYS HG2 1 1 1 178 1 1 12 LYS HG3 H 5.883 -5.276 1.529 1.00 . A A . 12 LYS HG3 1 1 1 179 1 1 12 LYS HZ1 H 3.963 -8.575 -0.133 1.00 . A A . 12 LYS HZ1 1 1 1 180 1 1 12 LYS HZ2 H 3.582 -8.861 1.490 1.00 . A A . 12 LYS HZ2 1 1 1 181 1 1 12 LYS HZ3 H 5.136 -8.346 1.065 1.00 . A A . 12 LYS HZ3 1 1 1 182 1 1 12 LYS N N 5.191 -2.782 -0.690 1.00 . A A . 12 LYS N 1 1 1 183 1 1 12 LYS NZ N 4.124 -8.254 0.843 1.00 . A A . 12 LYS NZ 1 1 1 184 1 1 12 LYS O O 8.454 -1.942 0.219 1.00 . A A . 12 LYS O 1 1 1 185 1 1 13 GLY C C 9.008 -0.101 -1.990 1.00 . A A . 13 GLY C 1 1 1 186 1 1 13 GLY CA C 8.754 -1.478 -2.581 1.00 . A A . 13 GLY CA 1 1 1 187 1 1 13 GLY H H 6.963 -2.600 -2.466 1.00 . A A . 13 GLY H 1 1 1 188 1 1 13 GLY HA2 H 9.666 -2.051 -2.515 1.00 . A A . 13 GLY HA2 1 1 1 189 1 1 13 GLY HA3 H 8.496 -1.364 -3.625 1.00 . A A . 13 GLY HA3 1 1 1 190 1 1 13 GLY N N 7.686 -2.227 -1.919 1.00 . A A . 13 GLY N 1 1 1 191 1 1 13 GLY O O 10.167 0.264 -1.767 1.00 . A A . 13 GLY O 1 1 1 192 1 1 14 ALA C C 8.071 1.963 0.377 1.00 . A A . 14 ALA C 1 1 1 193 1 1 14 ALA CA C 8.093 2.002 -1.153 1.00 . A A . 14 ALA CA 1 1 1 194 1 1 14 ALA CB C 7.034 2.952 -1.674 1.00 . A A . 14 ALA CB 1 1 1 195 1 1 14 ALA H H 7.033 0.338 -1.953 1.00 . A A . 14 ALA H 1 1 1 196 1 1 14 ALA HA H 9.056 2.378 -1.470 1.00 . A A . 14 ALA HA 1 1 1 197 1 1 14 ALA HB1 H 6.094 2.432 -1.735 1.00 . A A . 14 ALA HB1 1 1 1 198 1 1 14 ALA HB2 H 7.316 3.306 -2.656 1.00 . A A . 14 ALA HB2 1 1 1 199 1 1 14 ALA HB3 H 6.939 3.792 -1.002 1.00 . A A . 14 ALA HB3 1 1 1 200 1 1 14 ALA N N 7.936 0.668 -1.735 1.00 . A A . 14 ALA N 1 1 1 201 1 1 14 ALA O O 8.852 2.681 1.020 1.00 . A A . 14 ALA O 1 1 1 202 1 1 15 ILE C C 8.393 0.431 3.072 1.00 . A A . 15 ILE C 1 1 1 203 1 1 15 ILE CA C 7.114 1.026 2.449 1.00 . A A . 15 ILE CA 1 1 1 204 1 1 15 ILE CB C 5.854 0.264 2.974 1.00 . A A . 15 ILE CB 1 1 1 205 1 1 15 ILE CD1 C 5.315 -2.160 3.605 1.00 . A A . 15 ILE CD1 1 1 1 206 1 1 15 ILE CG1 C 5.845 -1.212 2.545 1.00 . A A . 15 ILE CG1 1 1 1 207 1 1 15 ILE CG2 C 4.577 0.964 2.512 1.00 . A A . 15 ILE CG2 1 1 1 208 1 1 15 ILE H H 6.600 0.557 0.418 1.00 . A A . 15 ILE H 1 1 1 209 1 1 15 ILE HA H 7.035 2.046 2.803 1.00 . A A . 15 ILE HA 1 1 1 210 1 1 15 ILE HB H 5.873 0.310 4.054 1.00 . A A . 15 ILE HB 1 1 1 211 1 1 15 ILE HD11 H 4.298 -1.893 3.851 1.00 . A A . 15 ILE HD11 1 1 1 212 1 1 15 ILE HD12 H 5.929 -2.089 4.491 1.00 . A A . 15 ILE HD12 1 1 1 213 1 1 15 ILE HD13 H 5.341 -3.171 3.228 1.00 . A A . 15 ILE HD13 1 1 1 214 1 1 15 ILE HG12 H 5.226 -1.318 1.668 1.00 . A A . 15 ILE HG12 1 1 1 215 1 1 15 ILE HG13 H 6.856 -1.509 2.309 1.00 . A A . 15 ILE HG13 1 1 1 216 1 1 15 ILE HG21 H 4.562 1.975 2.892 1.00 . A A . 15 ILE HG21 1 1 1 217 1 1 15 ILE HG22 H 3.717 0.427 2.884 1.00 . A A . 15 ILE HG22 1 1 1 218 1 1 15 ILE HG23 H 4.548 0.985 1.432 1.00 . A A . 15 ILE HG23 1 1 1 219 1 1 15 ILE N N 7.197 1.114 0.973 1.00 . A A . 15 ILE N 1 1 1 220 1 1 15 ILE O O 8.695 0.715 4.235 1.00 . A A . 15 ILE O 1 1 1 221 1 1 16 ILE C C 11.540 0.059 2.685 1.00 . A A . 16 ILE C 1 1 1 222 1 1 16 ILE CA C 10.396 -0.973 2.803 1.00 . A A . 16 ILE CA 1 1 1 223 1 1 16 ILE CB C 10.749 -2.336 2.098 1.00 . A A . 16 ILE CB 1 1 1 224 1 1 16 ILE CD1 C 11.027 -4.053 3.978 1.00 . A A . 16 ILE CD1 1 1 1 225 1 1 16 ILE CG1 C 11.716 -3.168 2.957 1.00 . A A . 16 ILE CG1 1 1 1 226 1 1 16 ILE CG2 C 11.325 -2.154 0.690 1.00 . A A . 16 ILE CG2 1 1 1 227 1 1 16 ILE H H 8.841 -0.609 1.389 1.00 . A A . 16 ILE H 1 1 1 228 1 1 16 ILE HA H 10.245 -1.177 3.856 1.00 . A A . 16 ILE HA 1 1 1 229 1 1 16 ILE HB H 9.829 -2.891 1.995 1.00 . A A . 16 ILE HB 1 1 1 230 1 1 16 ILE HD11 H 10.445 -3.440 4.650 1.00 . A A . 16 ILE HD11 1 1 1 231 1 1 16 ILE HD12 H 11.769 -4.599 4.541 1.00 . A A . 16 ILE HD12 1 1 1 232 1 1 16 ILE HD13 H 10.375 -4.748 3.470 1.00 . A A . 16 ILE HD13 1 1 1 233 1 1 16 ILE HG12 H 12.302 -3.806 2.312 1.00 . A A . 16 ILE HG12 1 1 1 234 1 1 16 ILE HG13 H 12.378 -2.500 3.490 1.00 . A A . 16 ILE HG13 1 1 1 235 1 1 16 ILE HG21 H 10.605 -1.641 0.070 1.00 . A A . 16 ILE HG21 1 1 1 236 1 1 16 ILE HG22 H 11.545 -3.121 0.263 1.00 . A A . 16 ILE HG22 1 1 1 237 1 1 16 ILE HG23 H 12.233 -1.571 0.745 1.00 . A A . 16 ILE HG23 1 1 1 238 1 1 16 ILE N N 9.141 -0.392 2.300 1.00 . A A . 16 ILE N 1 1 1 239 1 1 16 ILE O O 12.359 0.198 3.598 1.00 . A A . 16 ILE O 1 1 1 240 1 1 17 GLY C C 12.352 3.055 2.134 1.00 . A A . 17 GLY C 1 1 1 241 1 1 17 GLY CA C 12.569 1.805 1.292 1.00 . A A . 17 GLY CA 1 1 1 242 1 1 17 GLY H H 10.894 0.585 0.857 1.00 . A A . 17 GLY H 1 1 1 243 1 1 17 GLY HA2 H 13.547 1.404 1.512 1.00 . A A . 17 GLY HA2 1 1 1 244 1 1 17 GLY HA3 H 12.532 2.078 0.248 1.00 . A A . 17 GLY HA3 1 1 1 245 1 1 17 GLY N N 11.569 0.770 1.543 1.00 . A A . 17 GLY N 1 1 1 246 1 1 17 GLY O O 13.309 3.617 2.675 1.00 . A A . 17 GLY O 1 1 1 247 1 1 18 LEU C C 10.096 4.276 4.350 1.00 . A A . 18 LEU C 1 1 1 248 1 1 18 LEU CA C 10.721 4.669 3.012 1.00 . A A . 18 LEU CA 1 1 1 249 1 1 18 LEU CB C 9.755 5.559 2.213 1.00 . A A . 18 LEU CB 1 1 1 250 1 1 18 LEU CD1 C 9.255 6.452 -0.078 1.00 . A A . 18 LEU CD1 1 1 1 251 1 1 18 LEU CD2 C 11.026 7.538 1.310 1.00 . A A . 18 LEU CD2 1 1 1 252 1 1 18 LEU CG C 10.343 6.220 0.959 1.00 . A A . 18 LEU CG 1 1 1 253 1 1 18 LEU H H 10.376 2.978 1.785 1.00 . A A . 18 LEU H 1 1 1 254 1 1 18 LEU HA H 11.627 5.224 3.205 1.00 . A A . 18 LEU HA 1 1 1 255 1 1 18 LEU HB2 H 8.912 4.954 1.911 1.00 . A A . 18 LEU HB2 1 1 1 256 1 1 18 LEU HB3 H 9.397 6.339 2.868 1.00 . A A . 18 LEU HB3 1 1 1 257 1 1 18 LEU HD11 H 8.823 5.505 -0.365 1.00 . A A . 18 LEU HD11 1 1 1 258 1 1 18 LEU HD12 H 9.681 6.932 -0.946 1.00 . A A . 18 LEU HD12 1 1 1 259 1 1 18 LEU HD13 H 8.487 7.085 0.342 1.00 . A A . 18 LEU HD13 1 1 1 260 1 1 18 LEU HD21 H 10.305 8.210 1.752 1.00 . A A . 18 LEU HD21 1 1 1 261 1 1 18 LEU HD22 H 11.431 7.983 0.414 1.00 . A A . 18 LEU HD22 1 1 1 262 1 1 18 LEU HD23 H 11.824 7.353 2.014 1.00 . A A . 18 LEU HD23 1 1 1 263 1 1 18 LEU HG H 11.083 5.563 0.526 1.00 . A A . 18 LEU HG 1 1 1 264 1 1 18 LEU N N 11.084 3.481 2.238 1.00 . A A . 18 LEU N 1 1 1 265 1 1 18 LEU O O 10.666 4.646 5.398 1.00 . A A . 18 LEU O 1 1 1 266 1 1 18 LEU OXT O 9.048 3.592 4.341 1.00 . A A . 18 LEU OXT 1 1 2 267 1 1 1 LEU C C -3.800 3.906 10.878 1.00 . A A . 1 LEU C 1 1 2 268 1 1 1 LEU CA C -2.649 4.202 11.842 1.00 . A A . 1 LEU CA 1 1 2 269 1 1 1 LEU CB C -3.078 5.271 12.859 1.00 . A A . 1 LEU CB 1 1 2 270 1 1 1 LEU CD1 C -2.202 6.940 14.518 1.00 . A A . 1 LEU CD1 1 1 2 271 1 1 1 LEU CD2 C -2.388 4.536 15.169 1.00 . A A . 1 LEU CD2 1 1 2 272 1 1 1 LEU CG C -2.106 5.505 14.025 1.00 . A A . 1 LEU CG 1 1 2 273 1 1 1 LEU H1 H -1.643 5.499 10.550 1.00 . A A . 1 LEU H1 1 1 2 274 1 1 1 LEU H2 H -1.110 3.896 10.464 1.00 . A A . 1 LEU H2 1 1 2 275 1 1 1 LEU H3 H -0.670 4.865 11.780 1.00 . A A . 1 LEU H3 1 1 2 276 1 1 1 LEU HA H -2.405 3.294 12.372 1.00 . A A . 1 LEU HA 1 1 2 277 1 1 1 LEU HB2 H -3.204 6.206 12.333 1.00 . A A . 1 LEU HB2 1 1 2 278 1 1 1 LEU HB3 H -4.033 4.980 13.271 1.00 . A A . 1 LEU HB3 1 1 2 279 1 1 1 LEU HD11 H -1.941 7.614 13.715 1.00 . A A . 1 LEU HD11 1 1 2 280 1 1 1 LEU HD12 H -1.522 7.083 15.344 1.00 . A A . 1 LEU HD12 1 1 2 281 1 1 1 LEU HD13 H -3.213 7.142 14.844 1.00 . A A . 1 LEU HD13 1 1 2 282 1 1 1 LEU HD21 H -3.401 4.673 15.515 1.00 . A A . 1 LEU HD21 1 1 2 283 1 1 1 LEU HD22 H -1.702 4.728 15.980 1.00 . A A . 1 LEU HD22 1 1 2 284 1 1 1 LEU HD23 H -2.260 3.521 14.821 1.00 . A A . 1 LEU HD23 1 1 2 285 1 1 1 LEU HG H -1.096 5.336 13.683 1.00 . A A . 1 LEU HG 1 1 2 286 1 1 1 LEU N N -1.433 4.647 11.108 1.00 . A A . 1 LEU N 1 1 2 287 1 1 1 LEU O O -4.510 2.909 11.041 1.00 . A A . 1 LEU O 1 1 2 288 1 1 2 VAL C C -4.500 4.952 7.462 1.00 . A A . 2 VAL C 1 1 2 289 1 1 2 VAL CA C -5.037 4.625 8.875 1.00 . A A . 2 VAL CA 1 1 2 290 1 1 2 VAL CB C -6.301 5.484 9.222 1.00 . A A . 2 VAL CB 1 1 2 291 1 1 2 VAL CG1 C -7.068 4.860 10.379 1.00 . A A . 2 VAL CG1 1 1 2 292 1 1 2 VAL CG2 C -5.949 6.940 9.545 1.00 . A A . 2 VAL CG2 1 1 2 293 1 1 2 VAL H H -3.373 5.550 9.813 1.00 . A A . 2 VAL H 1 1 2 294 1 1 2 VAL HA H -5.330 3.582 8.890 1.00 . A A . 2 VAL HA 1 1 2 295 1 1 2 VAL HB H -6.952 5.481 8.360 1.00 . A A . 2 VAL HB 1 1 2 296 1 1 2 VAL HG11 H -7.378 3.862 10.110 1.00 . A A . 2 VAL HG11 1 1 2 297 1 1 2 VAL HG12 H -7.938 5.460 10.600 1.00 . A A . 2 VAL HG12 1 1 2 298 1 1 2 VAL HG13 H -6.431 4.816 11.250 1.00 . A A . 2 VAL HG13 1 1 2 299 1 1 2 VAL HG21 H -5.536 7.414 8.668 1.00 . A A . 2 VAL HG21 1 1 2 300 1 1 2 VAL HG22 H -5.222 6.966 10.344 1.00 . A A . 2 VAL HG22 1 1 2 301 1 1 2 VAL HG23 H -6.841 7.466 9.853 1.00 . A A . 2 VAL HG23 1 1 2 302 1 1 2 VAL N N -3.975 4.780 9.878 1.00 . A A . 2 VAL N 1 1 2 303 1 1 2 VAL O O -3.307 4.763 7.203 1.00 . A A . 2 VAL O 1 1 2 304 1 1 3 PHE C C -4.533 4.554 4.348 1.00 . A A . 3 PHE C 1 1 2 305 1 1 3 PHE CA C -5.008 5.787 5.150 1.00 . A A . 3 PHE CA 1 1 2 306 1 1 3 PHE CB C -3.933 6.900 5.116 1.00 . A A . 3 PHE CB 1 1 2 307 1 1 3 PHE CD1 C -5.113 9.115 4.940 1.00 . A A . 3 PHE CD1 1 1 2 308 1 1 3 PHE CD2 C -4.085 8.538 7.014 1.00 . A A . 3 PHE CD2 1 1 2 309 1 1 3 PHE CE1 C -5.530 10.319 5.477 1.00 . A A . 3 PHE CE1 1 1 2 310 1 1 3 PHE CE2 C -4.500 9.739 7.556 1.00 . A A . 3 PHE CE2 1 1 2 311 1 1 3 PHE CG C -4.387 8.211 5.702 1.00 . A A . 3 PHE CG 1 1 2 312 1 1 3 PHE CZ C -5.223 10.631 6.787 1.00 . A A . 3 PHE CZ 1 1 2 313 1 1 3 PHE H H -6.314 5.564 6.819 1.00 . A A . 3 PHE H 1 1 2 314 1 1 3 PHE HA H -5.902 6.170 4.672 1.00 . A A . 3 PHE HA 1 1 2 315 1 1 3 PHE HB2 H -3.069 6.572 5.675 1.00 . A A . 3 PHE HB2 1 1 2 316 1 1 3 PHE HB3 H -3.643 7.076 4.091 1.00 . A A . 3 PHE HB3 1 1 2 317 1 1 3 PHE HD1 H -5.354 8.872 3.915 1.00 . A A . 3 PHE HD1 1 1 2 318 1 1 3 PHE HD2 H -3.520 7.843 7.616 1.00 . A A . 3 PHE HD2 1 1 2 319 1 1 3 PHE HE1 H -6.095 11.013 4.874 1.00 . A A . 3 PHE HE1 1 1 2 320 1 1 3 PHE HE2 H -4.259 9.982 8.580 1.00 . A A . 3 PHE HE2 1 1 2 321 1 1 3 PHE HZ H -5.548 11.571 7.210 1.00 . A A . 3 PHE HZ 1 1 2 322 1 1 3 PHE N N -5.382 5.435 6.546 1.00 . A A . 3 PHE N 1 1 2 323 1 1 3 PHE O O -3.858 4.688 3.319 1.00 . A A . 3 PHE O 1 1 2 324 1 1 4 PHE C C -5.039 1.997 2.711 1.00 . A A . 4 PHE C 1 1 2 325 1 1 4 PHE CA C -4.553 2.078 4.168 1.00 . A A . 4 PHE CA 1 1 2 326 1 1 4 PHE CB C -5.085 0.880 4.982 1.00 . A A . 4 PHE CB 1 1 2 327 1 1 4 PHE CD1 C -7.006 1.612 6.438 1.00 . A A . 4 PHE CD1 1 1 2 328 1 1 4 PHE CD2 C -7.491 0.325 4.490 1.00 . A A . 4 PHE CD2 1 1 2 329 1 1 4 PHE CE1 C -8.353 1.669 6.740 1.00 . A A . 4 PHE CE1 1 1 2 330 1 1 4 PHE CE2 C -8.840 0.379 4.787 1.00 . A A . 4 PHE CE2 1 1 2 331 1 1 4 PHE CG C -6.559 0.939 5.311 1.00 . A A . 4 PHE CG 1 1 2 332 1 1 4 PHE CZ C -9.271 1.051 5.914 1.00 . A A . 4 PHE CZ 1 1 2 333 1 1 4 PHE H H -5.478 3.317 5.624 1.00 . A A . 4 PHE H 1 1 2 334 1 1 4 PHE HA H -3.473 2.030 4.164 1.00 . A A . 4 PHE HA 1 1 2 335 1 1 4 PHE HB2 H -4.915 -0.026 4.421 1.00 . A A . 4 PHE HB2 1 1 2 336 1 1 4 PHE HB3 H -4.542 0.822 5.914 1.00 . A A . 4 PHE HB3 1 1 2 337 1 1 4 PHE HD1 H -6.289 2.095 7.085 1.00 . A A . 4 PHE HD1 1 1 2 338 1 1 4 PHE HD2 H -7.156 -0.202 3.609 1.00 . A A . 4 PHE HD2 1 1 2 339 1 1 4 PHE HE1 H -8.687 2.196 7.622 1.00 . A A . 4 PHE HE1 1 1 2 340 1 1 4 PHE HE2 H -9.557 -0.104 4.138 1.00 . A A . 4 PHE HE2 1 1 2 341 1 1 4 PHE HZ H -10.325 1.095 6.147 1.00 . A A . 4 PHE HZ 1 1 2 342 1 1 4 PHE N N -4.925 3.352 4.815 1.00 . A A . 4 PHE N 1 1 2 343 1 1 4 PHE O O -4.284 1.584 1.824 1.00 . A A . 4 PHE O 1 1 2 344 1 1 5 ALA C C -6.084 3.185 0.100 1.00 . A A . 5 ALA C 1 1 2 345 1 1 5 ALA CA C -6.919 2.421 1.138 1.00 . A A . 5 ALA CA 1 1 2 346 1 1 5 ALA CB C -8.322 3.003 1.213 1.00 . A A . 5 ALA CB 1 1 2 347 1 1 5 ALA H H -6.821 2.765 3.235 1.00 . A A . 5 ALA H 1 1 2 348 1 1 5 ALA HA H -7.004 1.390 0.822 1.00 . A A . 5 ALA HA 1 1 2 349 1 1 5 ALA HB1 H -8.266 4.042 1.501 1.00 . A A . 5 ALA HB1 1 1 2 350 1 1 5 ALA HB2 H -8.900 2.458 1.944 1.00 . A A . 5 ALA HB2 1 1 2 351 1 1 5 ALA HB3 H -8.797 2.923 0.246 1.00 . A A . 5 ALA HB3 1 1 2 352 1 1 5 ALA N N -6.296 2.429 2.479 1.00 . A A . 5 ALA N 1 1 2 353 1 1 5 ALA O O -6.137 2.881 -1.095 1.00 . A A . 5 ALA O 1 1 2 354 1 1 6 GLU C C -3.007 4.503 -0.145 1.00 . A A . 6 GLU C 1 1 2 355 1 1 6 GLU CA C -4.454 4.982 -0.275 1.00 . A A . 6 GLU CA 1 1 2 356 1 1 6 GLU CB C -4.551 6.466 0.096 1.00 . A A . 6 GLU CB 1 1 2 357 1 1 6 GLU CD C -5.921 8.590 0.050 1.00 . A A . 6 GLU CD 1 1 2 358 1 1 6 GLU CG C -5.854 7.126 -0.335 1.00 . A A . 6 GLU CG 1 1 2 359 1 1 6 GLU H H -5.362 4.377 1.537 1.00 . A A . 6 GLU H 1 1 2 360 1 1 6 GLU HA H -4.775 4.850 -1.298 1.00 . A A . 6 GLU HA 1 1 2 361 1 1 6 GLU HB2 H -4.462 6.563 1.168 1.00 . A A . 6 GLU HB2 1 1 2 362 1 1 6 GLU HB3 H -3.733 6.995 -0.372 1.00 . A A . 6 GLU HB3 1 1 2 363 1 1 6 GLU HG2 H -5.944 7.047 -1.407 1.00 . A A . 6 GLU HG2 1 1 2 364 1 1 6 GLU HG3 H -6.677 6.606 0.134 1.00 . A A . 6 GLU HG3 1 1 2 365 1 1 6 GLU N N -5.329 4.178 0.578 1.00 . A A . 6 GLU N 1 1 2 366 1 1 6 GLU O O -2.252 4.513 -1.121 1.00 . A A . 6 GLU O 1 1 2 367 1 1 6 GLU OE1 O -5.471 9.437 -0.751 1.00 . A A . 6 GLU OE1 1 1 2 368 1 1 6 GLU OE2 O -6.423 8.892 1.154 1.00 . A A . 6 GLU OE2 1 1 2 369 1 1 7 ASP C C -1.004 2.211 0.751 1.00 . A A . 7 ASP C 1 1 2 370 1 1 7 ASP CA C -1.283 3.589 1.381 1.00 . A A . 7 ASP CA 1 1 2 371 1 1 7 ASP CB C -1.078 3.516 2.899 1.00 . A A . 7 ASP CB 1 1 2 372 1 1 7 ASP CG C 0.372 3.720 3.306 1.00 . A A . 7 ASP CG 1 1 2 373 1 1 7 ASP H H -3.295 4.114 1.804 1.00 . A A . 7 ASP H 1 1 2 374 1 1 7 ASP HA H -0.578 4.298 0.973 1.00 . A A . 7 ASP HA 1 1 2 375 1 1 7 ASP HB2 H -1.673 4.282 3.372 1.00 . A A . 7 ASP HB2 1 1 2 376 1 1 7 ASP HB3 H -1.398 2.547 3.251 1.00 . A A . 7 ASP HB3 1 1 2 377 1 1 7 ASP N N -2.635 4.085 1.079 1.00 . A A . 7 ASP N 1 1 2 378 1 1 7 ASP O O 0.161 1.849 0.556 1.00 . A A . 7 ASP O 1 1 2 379 1 1 7 ASP OD1 O 0.768 4.884 3.527 1.00 . A A . 7 ASP OD1 1 1 2 380 1 1 7 ASP OD2 O 1.108 2.715 3.402 1.00 . A A . 7 ASP OD2 1 1 2 381 1 1 8 VAL C C -1.135 0.100 -1.480 1.00 . A A . 8 VAL C 1 1 2 382 1 1 8 VAL CA C -1.946 0.099 -0.171 1.00 . A A . 8 VAL CA 1 1 2 383 1 1 8 VAL CB C -3.322 -0.580 -0.433 1.00 . A A . 8 VAL CB 1 1 2 384 1 1 8 VAL CG1 C -3.850 -1.220 0.842 1.00 . A A . 8 VAL CG1 1 1 2 385 1 1 8 VAL CG2 C -4.355 0.393 -1.008 1.00 . A A . 8 VAL CG2 1 1 2 386 1 1 8 VAL H H -2.974 1.795 0.627 1.00 . A A . 8 VAL H 1 1 2 387 1 1 8 VAL HA H -1.416 -0.515 0.544 1.00 . A A . 8 VAL HA 1 1 2 388 1 1 8 VAL HB H -3.170 -1.369 -1.155 1.00 . A A . 8 VAL HB 1 1 2 389 1 1 8 VAL HG11 H -4.806 -1.682 0.644 1.00 . A A . 8 VAL HG11 1 1 2 390 1 1 8 VAL HG12 H -3.968 -0.462 1.603 1.00 . A A . 8 VAL HG12 1 1 2 391 1 1 8 VAL HG13 H -3.152 -1.969 1.185 1.00 . A A . 8 VAL HG13 1 1 2 392 1 1 8 VAL HG21 H -4.513 1.204 -0.312 1.00 . A A . 8 VAL HG21 1 1 2 393 1 1 8 VAL HG22 H -5.288 -0.126 -1.172 1.00 . A A . 8 VAL HG22 1 1 2 394 1 1 8 VAL HG23 H -3.993 0.789 -1.946 1.00 . A A . 8 VAL HG23 1 1 2 395 1 1 8 VAL N N -2.074 1.448 0.437 1.00 . A A . 8 VAL N 1 1 2 396 1 1 8 VAL O O -0.496 -0.903 -1.816 1.00 . A A . 8 VAL O 1 1 2 397 1 1 9 GLY C C 1.083 1.436 -3.283 1.00 . A A . 9 GLY C 1 1 2 398 1 1 9 GLY CA C -0.432 1.359 -3.468 1.00 . A A . 9 GLY CA 1 1 2 399 1 1 9 GLY H H -1.705 1.983 -1.883 1.00 . A A . 9 GLY H 1 1 2 400 1 1 9 GLY HA2 H -0.661 0.508 -4.090 1.00 . A A . 9 GLY HA2 1 1 2 401 1 1 9 GLY HA3 H -0.766 2.254 -3.971 1.00 . A A . 9 GLY HA3 1 1 2 402 1 1 9 GLY N N -1.170 1.228 -2.207 1.00 . A A . 9 GLY N 1 1 2 403 1 1 9 GLY O O 1.834 1.297 -4.254 1.00 . A A . 9 GLY O 1 1 2 404 1 1 10 SER C C 3.287 0.818 -0.538 1.00 . A A . 10 SER C 1 1 2 405 1 1 10 SER CA C 2.941 1.754 -1.705 1.00 . A A . 10 SER CA 1 1 2 406 1 1 10 SER CB C 3.292 3.210 -1.364 1.00 . A A . 10 SER CB 1 1 2 407 1 1 10 SER H H 0.860 1.754 -1.318 1.00 . A A . 10 SER H 1 1 2 408 1 1 10 SER HA H 3.505 1.450 -2.573 1.00 . A A . 10 SER HA 1 1 2 409 1 1 10 SER HB2 H 2.757 3.510 -0.475 1.00 . A A . 10 SER HB2 1 1 2 410 1 1 10 SER HB3 H 4.353 3.294 -1.190 1.00 . A A . 10 SER HB3 1 1 2 411 1 1 10 SER HG H 3.674 4.169 -3.029 1.00 . A A . 10 SER HG 1 1 2 412 1 1 10 SER N N 1.520 1.656 -2.037 1.00 . A A . 10 SER N 1 1 2 413 1 1 10 SER O O 4.153 -0.051 -0.674 1.00 . A A . 10 SER O 1 1 2 414 1 1 10 SER OG O 2.935 4.082 -2.423 1.00 . A A . 10 SER OG 1 1 2 415 1 1 11 ASN C C 4.038 -0.586 1.977 1.00 . A A . 11 ASN C 1 1 2 416 1 1 11 ASN CA C 2.721 0.237 1.853 1.00 . A A . 11 ASN CA 1 1 2 417 1 1 11 ASN CB C 1.475 -0.659 2.013 1.00 . A A . 11 ASN CB 1 1 2 418 1 1 11 ASN CG C 1.212 -1.060 3.455 1.00 . A A . 11 ASN CG 1 1 2 419 1 1 11 ASN H H 1.917 1.739 0.591 1.00 . A A . 11 ASN H 1 1 2 420 1 1 11 ASN HA H 2.711 0.952 2.662 1.00 . A A . 11 ASN HA 1 1 2 421 1 1 11 ASN HB2 H 0.611 -0.126 1.648 1.00 . A A . 11 ASN HB2 1 1 2 422 1 1 11 ASN HB3 H 1.608 -1.557 1.426 1.00 . A A . 11 ASN HB3 1 1 2 423 1 1 11 ASN HD21 H 0.065 0.541 3.718 1.00 . A A . 11 ASN HD21 1 1 2 424 1 1 11 ASN HD22 H 0.239 -0.490 5.093 1.00 . A A . 11 ASN HD22 1 1 2 425 1 1 11 ASN N N 2.583 1.019 0.598 1.00 . A A . 11 ASN N 1 1 2 426 1 1 11 ASN ND2 N 0.426 -0.255 4.160 1.00 . A A . 11 ASN ND2 1 1 2 427 1 1 11 ASN O O 5.140 -0.015 1.941 1.00 . A A . 11 ASN O 1 1 2 428 1 1 11 ASN OD1 O 1.710 -2.083 3.928 1.00 . A A . 11 ASN OD1 1 1 2 429 1 1 12 LYS C C 6.015 -2.784 1.082 1.00 . A A . 12 LYS C 1 1 2 430 1 1 12 LYS CA C 5.040 -2.844 2.268 1.00 . A A . 12 LYS CA 1 1 2 431 1 1 12 LYS CB C 4.523 -4.282 2.464 1.00 . A A . 12 LYS CB 1 1 2 432 1 1 12 LYS CD C 5.061 -4.957 4.844 1.00 . A A . 12 LYS CD 1 1 2 433 1 1 12 LYS CE C 5.944 -5.812 5.743 1.00 . A A . 12 LYS CE 1 1 2 434 1 1 12 LYS CG C 5.400 -5.150 3.368 1.00 . A A . 12 LYS CG 1 1 2 435 1 1 12 LYS H H 3.000 -2.303 2.098 1.00 . A A . 12 LYS H 1 1 2 436 1 1 12 LYS HA H 5.566 -2.551 3.159 1.00 . A A . 12 LYS HA 1 1 2 437 1 1 12 LYS HB2 H 3.536 -4.238 2.897 1.00 . A A . 12 LYS HB2 1 1 2 438 1 1 12 LYS HB3 H 4.460 -4.759 1.496 1.00 . A A . 12 LYS HB3 1 1 2 439 1 1 12 LYS HD2 H 5.201 -3.920 5.102 1.00 . A A . 12 LYS HD2 1 1 2 440 1 1 12 LYS HD3 H 4.029 -5.233 5.003 1.00 . A A . 12 LYS HD3 1 1 2 441 1 1 12 LYS HE2 H 6.971 -5.701 5.425 1.00 . A A . 12 LYS HE2 1 1 2 442 1 1 12 LYS HE3 H 5.844 -5.462 6.759 1.00 . A A . 12 LYS HE3 1 1 2 443 1 1 12 LYS HG2 H 5.250 -6.188 3.111 1.00 . A A . 12 LYS HG2 1 1 2 444 1 1 12 LYS HG3 H 6.435 -4.885 3.210 1.00 . A A . 12 LYS HG3 1 1 2 445 1 1 12 LYS HZ1 H 4.589 -7.384 5.992 1.00 . A A . 12 LYS HZ1 1 1 2 446 1 1 12 LYS HZ2 H 6.194 -7.806 6.318 1.00 . A A . 12 LYS HZ2 1 1 2 447 1 1 12 LYS HZ3 H 5.679 -7.615 4.718 1.00 . A A . 12 LYS HZ3 1 1 2 448 1 1 12 LYS N N 3.904 -1.924 2.109 1.00 . A A . 12 LYS N 1 1 2 449 1 1 12 LYS NZ N 5.576 -7.256 5.688 1.00 . A A . 12 LYS NZ 1 1 2 450 1 1 12 LYS O O 7.224 -2.597 1.281 1.00 . A A . 12 LYS O 1 1 2 451 1 1 13 GLY C C 7.157 -1.651 -1.503 1.00 . A A . 13 GLY C 1 1 2 452 1 1 13 GLY CA C 6.270 -2.884 -1.374 1.00 . A A . 13 GLY CA 1 1 2 453 1 1 13 GLY H H 4.496 -3.026 -0.214 1.00 . A A . 13 GLY H 1 1 2 454 1 1 13 GLY HA2 H 6.898 -3.761 -1.394 1.00 . A A . 13 GLY HA2 1 1 2 455 1 1 13 GLY HA3 H 5.603 -2.919 -2.222 1.00 . A A . 13 GLY HA3 1 1 2 456 1 1 13 GLY N N 5.466 -2.911 -0.145 1.00 . A A . 13 GLY N 1 1 2 457 1 1 13 GLY O O 8.238 -1.721 -2.097 1.00 . A A . 13 GLY O 1 1 2 458 1 1 14 ALA C C 8.292 0.878 0.294 1.00 . A A . 14 ALA C 1 1 2 459 1 1 14 ALA CA C 7.440 0.723 -0.967 1.00 . A A . 14 ALA CA 1 1 2 460 1 1 14 ALA CB C 6.494 1.900 -1.113 1.00 . A A . 14 ALA CB 1 1 2 461 1 1 14 ALA H H 5.813 -0.548 -0.506 1.00 . A A . 14 ALA H 1 1 2 462 1 1 14 ALA HA H 8.089 0.704 -1.830 1.00 . A A . 14 ALA HA 1 1 2 463 1 1 14 ALA HB1 H 7.065 2.804 -1.270 1.00 . A A . 14 ALA HB1 1 1 2 464 1 1 14 ALA HB2 H 5.903 1.997 -0.215 1.00 . A A . 14 ALA HB2 1 1 2 465 1 1 14 ALA HB3 H 5.843 1.734 -1.959 1.00 . A A . 14 ALA HB3 1 1 2 466 1 1 14 ALA N N 6.691 -0.530 -0.943 1.00 . A A . 14 ALA N 1 1 2 467 1 1 14 ALA O O 9.452 1.309 0.216 1.00 . A A . 14 ALA O 1 1 2 468 1 1 15 ILE C C 9.617 -0.369 2.819 1.00 . A A . 15 ILE C 1 1 2 469 1 1 15 ILE CA C 8.418 0.601 2.746 1.00 . A A . 15 ILE CA 1 1 2 470 1 1 15 ILE CB C 7.437 0.401 3.952 1.00 . A A . 15 ILE CB 1 1 2 471 1 1 15 ILE CD1 C 7.257 2.676 5.109 1.00 . A A . 15 ILE CD1 1 1 2 472 1 1 15 ILE CG1 C 7.854 1.282 5.139 1.00 . A A . 15 ILE CG1 1 1 2 473 1 1 15 ILE CG2 C 7.336 -1.059 4.397 1.00 . A A . 15 ILE CG2 1 1 2 474 1 1 15 ILE H H 6.797 0.154 1.443 1.00 . A A . 15 ILE H 1 1 2 475 1 1 15 ILE HA H 8.808 1.608 2.810 1.00 . A A . 15 ILE HA 1 1 2 476 1 1 15 ILE HB H 6.456 0.710 3.627 1.00 . A A . 15 ILE HB 1 1 2 477 1 1 15 ILE HD11 H 6.180 2.608 5.121 1.00 . A A . 15 ILE HD11 1 1 2 478 1 1 15 ILE HD12 H 7.575 3.184 4.210 1.00 . A A . 15 ILE HD12 1 1 2 479 1 1 15 ILE HD13 H 7.593 3.231 5.972 1.00 . A A . 15 ILE HD13 1 1 2 480 1 1 15 ILE HG12 H 7.537 0.809 6.057 1.00 . A A . 15 ILE HG12 1 1 2 481 1 1 15 ILE HG13 H 8.930 1.381 5.144 1.00 . A A . 15 ILE HG13 1 1 2 482 1 1 15 ILE HG21 H 7.496 -1.704 3.546 1.00 . A A . 15 ILE HG21 1 1 2 483 1 1 15 ILE HG22 H 6.358 -1.244 4.814 1.00 . A A . 15 ILE HG22 1 1 2 484 1 1 15 ILE HG23 H 8.089 -1.259 5.145 1.00 . A A . 15 ILE HG23 1 1 2 485 1 1 15 ILE N N 7.716 0.502 1.457 1.00 . A A . 15 ILE N 1 1 2 486 1 1 15 ILE O O 10.606 -0.078 3.499 1.00 . A A . 15 ILE O 1 1 2 487 1 1 16 ILE C C 11.680 -2.078 1.065 1.00 . A A . 16 ILE C 1 1 2 488 1 1 16 ILE CA C 10.603 -2.502 2.089 1.00 . A A . 16 ILE CA 1 1 2 489 1 1 16 ILE CB C 10.067 -3.958 1.820 1.00 . A A . 16 ILE CB 1 1 2 490 1 1 16 ILE CD1 C 11.098 -5.432 3.644 1.00 . A A . 16 ILE CD1 1 1 2 491 1 1 16 ILE CG1 C 11.121 -5.020 2.185 1.00 . A A . 16 ILE CG1 1 1 2 492 1 1 16 ILE CG2 C 9.594 -4.163 0.377 1.00 . A A . 16 ILE CG2 1 1 2 493 1 1 16 ILE H H 8.692 -1.698 1.614 1.00 . A A . 16 ILE H 1 1 2 494 1 1 16 ILE HA H 11.059 -2.495 3.071 1.00 . A A . 16 ILE HA 1 1 2 495 1 1 16 ILE HB H 9.208 -4.105 2.457 1.00 . A A . 16 ILE HB 1 1 2 496 1 1 16 ILE HD11 H 11.287 -4.569 4.266 1.00 . A A . 16 ILE HD11 1 1 2 497 1 1 16 ILE HD12 H 11.861 -6.176 3.820 1.00 . A A . 16 ILE HD12 1 1 2 498 1 1 16 ILE HD13 H 10.130 -5.845 3.887 1.00 . A A . 16 ILE HD13 1 1 2 499 1 1 16 ILE HG12 H 10.951 -5.905 1.591 1.00 . A A . 16 ILE HG12 1 1 2 500 1 1 16 ILE HG13 H 12.104 -4.630 1.966 1.00 . A A . 16 ILE HG13 1 1 2 501 1 1 16 ILE HG21 H 9.239 -5.175 0.255 1.00 . A A . 16 ILE HG21 1 1 2 502 1 1 16 ILE HG22 H 10.416 -3.986 -0.300 1.00 . A A . 16 ILE HG22 1 1 2 503 1 1 16 ILE HG23 H 8.794 -3.471 0.160 1.00 . A A . 16 ILE HG23 1 1 2 504 1 1 16 ILE N N 9.515 -1.516 2.117 1.00 . A A . 16 ILE N 1 1 2 505 1 1 16 ILE O O 12.880 -2.208 1.325 1.00 . A A . 16 ILE O 1 1 2 506 1 1 17 GLY C C 12.823 0.200 -0.790 1.00 . A A . 17 GLY C 1 1 2 507 1 1 17 GLY CA C 12.115 -1.100 -1.149 1.00 . A A . 17 GLY CA 1 1 2 508 1 1 17 GLY H H 10.252 -1.519 -0.231 1.00 . A A . 17 GLY H 1 1 2 509 1 1 17 GLY HA2 H 12.858 -1.860 -1.339 1.00 . A A . 17 GLY HA2 1 1 2 510 1 1 17 GLY HA3 H 11.538 -0.945 -2.049 1.00 . A A . 17 GLY HA3 1 1 2 511 1 1 17 GLY N N 11.220 -1.572 -0.093 1.00 . A A . 17 GLY N 1 1 2 512 1 1 17 GLY O O 14.018 0.353 -1.058 1.00 . A A . 17 GLY O 1 1 2 513 1 1 18 LEU C C 12.874 2.469 1.726 1.00 . A A . 18 LEU C 1 1 2 514 1 1 18 LEU CA C 12.616 2.430 0.219 1.00 . A A . 18 LEU CA 1 1 2 515 1 1 18 LEU CB C 11.660 3.563 -0.187 1.00 . A A . 18 LEU CB 1 1 2 516 1 1 18 LEU CD1 C 10.436 2.902 -2.289 1.00 . A A . 18 LEU CD1 1 1 2 517 1 1 18 LEU CD2 C 11.204 5.262 -1.977 1.00 . A A . 18 LEU CD2 1 1 2 518 1 1 18 LEU CG C 11.515 3.799 -1.697 1.00 . A A . 18 LEU CG 1 1 2 519 1 1 18 LEU H H 11.132 0.935 0.004 1.00 . A A . 18 LEU H 1 1 2 520 1 1 18 LEU HA H 13.557 2.565 -0.294 1.00 . A A . 18 LEU HA 1 1 2 521 1 1 18 LEU HB2 H 10.682 3.339 0.215 1.00 . A A . 18 LEU HB2 1 1 2 522 1 1 18 LEU HB3 H 12.012 4.479 0.264 1.00 . A A . 18 LEU HB3 1 1 2 523 1 1 18 LEU HD11 H 10.356 3.086 -3.351 1.00 . A A . 18 LEU HD11 1 1 2 524 1 1 18 LEU HD12 H 9.489 3.115 -1.815 1.00 . A A . 18 LEU HD12 1 1 2 525 1 1 18 LEU HD13 H 10.696 1.867 -2.122 1.00 . A A . 18 LEU HD13 1 1 2 526 1 1 18 LEU HD21 H 12.015 5.878 -1.617 1.00 . A A . 18 LEU HD21 1 1 2 527 1 1 18 LEU HD22 H 10.291 5.539 -1.473 1.00 . A A . 18 LEU HD22 1 1 2 528 1 1 18 LEU HD23 H 11.087 5.407 -3.041 1.00 . A A . 18 LEU HD23 1 1 2 529 1 1 18 LEU HG H 12.450 3.558 -2.182 1.00 . A A . 18 LEU HG 1 1 2 530 1 1 18 LEU N N 12.074 1.131 -0.183 1.00 . A A . 18 LEU N 1 1 2 531 1 1 18 LEU O O 14.046 2.654 2.118 1.00 . A A . 18 LEU O 1 1 2 532 1 1 18 LEU OXT O 11.907 2.302 2.501 1.00 . A A . 18 LEU OXT 1 1 3 533 1 1 1 LEU C C -10.821 3.034 1.856 1.00 . A A . 1 LEU C 1 1 3 534 1 1 1 LEU CA C -11.690 2.375 0.789 1.00 . A A . 1 LEU CA 1 1 3 535 1 1 1 LEU CB C -12.482 1.200 1.407 1.00 . A A . 1 LEU CB 1 1 3 536 1 1 1 LEU CD1 C -14.244 2.602 2.615 1.00 . A A . 1 LEU CD1 1 1 3 537 1 1 1 LEU CD2 C -14.786 1.576 0.388 1.00 . A A . 1 LEU CD2 1 1 3 538 1 1 1 LEU CG C -13.994 1.417 1.685 1.00 . A A . 1 LEU CG 1 1 3 539 1 1 1 LEU H1 H -10.180 1.176 -0.005 1.00 . A A . 1 LEU H1 1 1 3 540 1 1 1 LEU H2 H -10.329 2.682 -0.761 1.00 . A A . 1 LEU H2 1 1 3 541 1 1 1 LEU H3 H -11.461 1.464 -1.074 1.00 . A A . 1 LEU H3 1 1 3 542 1 1 1 LEU HA H -12.384 3.109 0.407 1.00 . A A . 1 LEU HA 1 1 3 543 1 1 1 LEU HB2 H -12.389 0.356 0.741 1.00 . A A . 1 LEU HB2 1 1 3 544 1 1 1 LEU HB3 H -12.008 0.942 2.343 1.00 . A A . 1 LEU HB3 1 1 3 545 1 1 1 LEU HD11 H -15.303 2.688 2.812 1.00 . A A . 1 LEU HD11 1 1 3 546 1 1 1 LEU HD12 H -13.891 3.508 2.147 1.00 . A A . 1 LEU HD12 1 1 3 547 1 1 1 LEU HD13 H -13.717 2.447 3.545 1.00 . A A . 1 LEU HD13 1 1 3 548 1 1 1 LEU HD21 H -14.547 0.763 -0.282 1.00 . A A . 1 LEU HD21 1 1 3 549 1 1 1 LEU HD22 H -14.530 2.514 -0.081 1.00 . A A . 1 LEU HD22 1 1 3 550 1 1 1 LEU HD23 H -15.844 1.562 0.608 1.00 . A A . 1 LEU HD23 1 1 3 551 1 1 1 LEU HG H -14.373 0.537 2.186 1.00 . A A . 1 LEU HG 1 1 3 552 1 1 1 LEU N N -10.857 1.891 -0.341 1.00 . A A . 1 LEU N 1 1 3 553 1 1 1 LEU O O -9.675 2.631 2.070 1.00 . A A . 1 LEU O 1 1 3 554 1 1 2 VAL C C -9.425 5.515 3.062 1.00 . A A . 2 VAL C 1 1 3 555 1 1 2 VAL CA C -10.703 4.822 3.599 1.00 . A A . 2 VAL CA 1 1 3 556 1 1 2 VAL CB C -10.381 3.953 4.873 1.00 . A A . 2 VAL CB 1 1 3 557 1 1 2 VAL CG1 C -10.144 4.832 6.096 1.00 . A A . 2 VAL CG1 1 1 3 558 1 1 2 VAL CG2 C -11.494 2.950 5.172 1.00 . A A . 2 VAL CG2 1 1 3 559 1 1 2 VAL H H -12.304 4.311 2.292 1.00 . A A . 2 VAL H 1 1 3 560 1 1 2 VAL HA H -11.390 5.601 3.905 1.00 . A A . 2 VAL HA 1 1 3 561 1 1 2 VAL HB H -9.473 3.400 4.680 1.00 . A A . 2 VAL HB 1 1 3 562 1 1 2 VAL HG11 H -9.289 5.468 5.923 1.00 . A A . 2 VAL HG11 1 1 3 563 1 1 2 VAL HG12 H -9.959 4.209 6.958 1.00 . A A . 2 VAL HG12 1 1 3 564 1 1 2 VAL HG13 H -11.017 5.444 6.275 1.00 . A A . 2 VAL HG13 1 1 3 565 1 1 2 VAL HG21 H -12.434 3.472 5.262 1.00 . A A . 2 VAL HG21 1 1 3 566 1 1 2 VAL HG22 H -11.277 2.439 6.098 1.00 . A A . 2 VAL HG22 1 1 3 567 1 1 2 VAL HG23 H -11.555 2.231 4.370 1.00 . A A . 2 VAL HG23 1 1 3 568 1 1 2 VAL N N -11.387 4.056 2.527 1.00 . A A . 2 VAL N 1 1 3 569 1 1 2 VAL O O -9.488 6.667 2.622 1.00 . A A . 2 VAL O 1 1 3 570 1 1 3 PHE C C -5.975 4.222 2.350 1.00 . A A . 3 PHE C 1 1 3 571 1 1 3 PHE CA C -6.990 5.343 2.610 1.00 . A A . 3 PHE CA 1 1 3 572 1 1 3 PHE CB C -6.376 6.387 3.581 1.00 . A A . 3 PHE CB 1 1 3 573 1 1 3 PHE CD1 C -5.447 5.046 5.514 1.00 . A A . 3 PHE CD1 1 1 3 574 1 1 3 PHE CD2 C -7.230 6.573 5.944 1.00 . A A . 3 PHE CD2 1 1 3 575 1 1 3 PHE CE1 C -5.422 4.693 6.849 1.00 . A A . 3 PHE CE1 1 1 3 576 1 1 3 PHE CE2 C -7.210 6.222 7.281 1.00 . A A . 3 PHE CE2 1 1 3 577 1 1 3 PHE CG C -6.351 5.990 5.044 1.00 . A A . 3 PHE CG 1 1 3 578 1 1 3 PHE CZ C -6.305 5.281 7.734 1.00 . A A . 3 PHE CZ 1 1 3 579 1 1 3 PHE H H -8.298 3.901 3.471 1.00 . A A . 3 PHE H 1 1 3 580 1 1 3 PHE HA H -7.192 5.833 1.668 1.00 . A A . 3 PHE HA 1 1 3 581 1 1 3 PHE HB2 H -5.358 6.579 3.284 1.00 . A A . 3 PHE HB2 1 1 3 582 1 1 3 PHE HB3 H -6.940 7.307 3.499 1.00 . A A . 3 PHE HB3 1 1 3 583 1 1 3 PHE HD1 H -4.756 4.585 4.823 1.00 . A A . 3 PHE HD1 1 1 3 584 1 1 3 PHE HD2 H -7.937 7.310 5.593 1.00 . A A . 3 PHE HD2 1 1 3 585 1 1 3 PHE HE1 H -4.714 3.958 7.201 1.00 . A A . 3 PHE HE1 1 1 3 586 1 1 3 PHE HE2 H -7.901 6.682 7.971 1.00 . A A . 3 PHE HE2 1 1 3 587 1 1 3 PHE HZ H -6.288 5.006 8.778 1.00 . A A . 3 PHE HZ 1 1 3 588 1 1 3 PHE N N -8.277 4.808 3.102 1.00 . A A . 3 PHE N 1 1 3 589 1 1 3 PHE O O -5.088 4.365 1.500 1.00 . A A . 3 PHE O 1 1 3 590 1 1 4 PHE C C -5.218 1.354 1.543 1.00 . A A . 4 PHE C 1 1 3 591 1 1 4 PHE CA C -5.220 1.945 2.964 1.00 . A A . 4 PHE CA 1 1 3 592 1 1 4 PHE CB C -5.613 0.870 3.989 1.00 . A A . 4 PHE CB 1 1 3 593 1 1 4 PHE CD1 C -4.289 -1.237 3.634 1.00 . A A . 4 PHE CD1 1 1 3 594 1 1 4 PHE CD2 C -3.649 0.216 5.413 1.00 . A A . 4 PHE CD2 1 1 3 595 1 1 4 PHE CE1 C -3.262 -2.101 3.965 1.00 . A A . 4 PHE CE1 1 1 3 596 1 1 4 PHE CE2 C -2.620 -0.644 5.750 1.00 . A A . 4 PHE CE2 1 1 3 597 1 1 4 PHE CG C -4.494 -0.070 4.353 1.00 . A A . 4 PHE CG 1 1 3 598 1 1 4 PHE CZ C -2.428 -1.804 5.024 1.00 . A A . 4 PHE CZ 1 1 3 599 1 1 4 PHE H H -6.866 3.053 3.718 1.00 . A A . 4 PHE H 1 1 3 600 1 1 4 PHE HA H -4.222 2.290 3.194 1.00 . A A . 4 PHE HA 1 1 3 601 1 1 4 PHE HB2 H -5.945 1.353 4.895 1.00 . A A . 4 PHE HB2 1 1 3 602 1 1 4 PHE HB3 H -6.423 0.281 3.585 1.00 . A A . 4 PHE HB3 1 1 3 603 1 1 4 PHE HD1 H -4.941 -1.469 2.804 1.00 . A A . 4 PHE HD1 1 1 3 604 1 1 4 PHE HD2 H -3.799 1.122 5.981 1.00 . A A . 4 PHE HD2 1 1 3 605 1 1 4 PHE HE1 H -3.114 -3.006 3.396 1.00 . A A . 4 PHE HE1 1 1 3 606 1 1 4 PHE HE2 H -1.969 -0.411 6.579 1.00 . A A . 4 PHE HE2 1 1 3 607 1 1 4 PHE HZ H -1.624 -2.478 5.285 1.00 . A A . 4 PHE HZ 1 1 3 608 1 1 4 PHE N N -6.123 3.101 3.080 1.00 . A A . 4 PHE N 1 1 3 609 1 1 4 PHE O O -4.149 1.132 0.963 1.00 . A A . 4 PHE O 1 1 3 610 1 1 5 ALA C C -5.930 1.434 -1.453 1.00 . A A . 5 ALA C 1 1 3 611 1 1 5 ALA CA C -6.584 0.569 -0.369 1.00 . A A . 5 ALA CA 1 1 3 612 1 1 5 ALA CB C -8.061 0.374 -0.679 1.00 . A A . 5 ALA CB 1 1 3 613 1 1 5 ALA H H -7.226 1.365 1.495 1.00 . A A . 5 ALA H 1 1 3 614 1 1 5 ALA HA H -6.114 -0.404 -0.374 1.00 . A A . 5 ALA HA 1 1 3 615 1 1 5 ALA HB1 H -8.546 1.336 -0.741 1.00 . A A . 5 ALA HB1 1 1 3 616 1 1 5 ALA HB2 H -8.519 -0.211 0.105 1.00 . A A . 5 ALA HB2 1 1 3 617 1 1 5 ALA HB3 H -8.165 -0.144 -1.622 1.00 . A A . 5 ALA HB3 1 1 3 618 1 1 5 ALA N N -6.422 1.137 0.982 1.00 . A A . 5 ALA N 1 1 3 619 1 1 5 ALA O O -5.525 0.923 -2.500 1.00 . A A . 5 ALA O 1 1 3 620 1 1 6 GLU C C -3.731 3.871 -1.803 1.00 . A A . 6 GLU C 1 1 3 621 1 1 6 GLU CA C -5.219 3.692 -2.117 1.00 . A A . 6 GLU CA 1 1 3 622 1 1 6 GLU CB C -5.936 5.047 -2.061 1.00 . A A . 6 GLU CB 1 1 3 623 1 1 6 GLU CD C -7.999 6.390 -2.631 1.00 . A A . 6 GLU CD 1 1 3 624 1 1 6 GLU CG C -7.321 5.036 -2.690 1.00 . A A . 6 GLU CG 1 1 3 625 1 1 6 GLU H H -6.188 3.078 -0.334 1.00 . A A . 6 GLU H 1 1 3 626 1 1 6 GLU HA H -5.316 3.284 -3.111 1.00 . A A . 6 GLU HA 1 1 3 627 1 1 6 GLU HB2 H -6.036 5.345 -1.028 1.00 . A A . 6 GLU HB2 1 1 3 628 1 1 6 GLU HB3 H -5.336 5.779 -2.580 1.00 . A A . 6 GLU HB3 1 1 3 629 1 1 6 GLU HG2 H -7.231 4.741 -3.725 1.00 . A A . 6 GLU HG2 1 1 3 630 1 1 6 GLU HG3 H -7.936 4.319 -2.164 1.00 . A A . 6 GLU HG3 1 1 3 631 1 1 6 GLU N N -5.834 2.743 -1.185 1.00 . A A . 6 GLU N 1 1 3 632 1 1 6 GLU O O -2.901 3.906 -2.715 1.00 . A A . 6 GLU O 1 1 3 633 1 1 6 GLU OE1 O -8.641 6.690 -1.601 1.00 . A A . 6 GLU OE1 1 1 3 634 1 1 6 GLU OE2 O -7.889 7.153 -3.614 1.00 . A A . 6 GLU OE2 1 1 3 635 1 1 7 ASP C C -1.182 2.875 -0.210 1.00 . A A . 7 ASP C 1 1 3 636 1 1 7 ASP CA C -2.021 4.152 -0.039 1.00 . A A . 7 ASP CA 1 1 3 637 1 1 7 ASP CB C -2.000 4.591 1.427 1.00 . A A . 7 ASP CB 1 1 3 638 1 1 7 ASP CG C -2.339 6.060 1.598 1.00 . A A . 7 ASP CG 1 1 3 639 1 1 7 ASP H H -4.125 3.952 0.165 1.00 . A A . 7 ASP H 1 1 3 640 1 1 7 ASP HA H -1.576 4.933 -0.636 1.00 . A A . 7 ASP HA 1 1 3 641 1 1 7 ASP HB2 H -2.721 4.008 1.981 1.00 . A A . 7 ASP HB2 1 1 3 642 1 1 7 ASP HB3 H -1.014 4.418 1.834 1.00 . A A . 7 ASP HB3 1 1 3 643 1 1 7 ASP N N -3.407 3.984 -0.502 1.00 . A A . 7 ASP N 1 1 3 644 1 1 7 ASP O O 0.035 2.954 -0.402 1.00 . A A . 7 ASP O 1 1 3 645 1 1 7 ASP OD1 O -1.463 6.905 1.320 1.00 . A A . 7 ASP OD1 1 1 3 646 1 1 7 ASP OD2 O -3.479 6.364 2.007 1.00 . A A . 7 ASP OD2 1 1 3 647 1 1 8 VAL C C -0.419 0.243 -1.644 1.00 . A A . 8 VAL C 1 1 3 648 1 1 8 VAL CA C -1.169 0.393 -0.294 1.00 . A A . 8 VAL CA 1 1 3 649 1 1 8 VAL CB C -2.180 -0.787 -0.076 1.00 . A A . 8 VAL CB 1 1 3 650 1 1 8 VAL CG1 C -3.206 -0.901 -1.206 1.00 . A A . 8 VAL CG1 1 1 3 651 1 1 8 VAL CG2 C -1.456 -2.117 0.134 1.00 . A A . 8 VAL CG2 1 1 3 652 1 1 8 VAL H H -2.819 1.715 -0.031 1.00 . A A . 8 VAL H 1 1 3 653 1 1 8 VAL HA H -0.434 0.340 0.497 1.00 . A A . 8 VAL HA 1 1 3 654 1 1 8 VAL HB H -2.729 -0.573 0.831 1.00 . A A . 8 VAL HB 1 1 3 655 1 1 8 VAL HG11 H -3.873 -1.726 -1.005 1.00 . A A . 8 VAL HG11 1 1 3 656 1 1 8 VAL HG12 H -2.694 -1.073 -2.141 1.00 . A A . 8 VAL HG12 1 1 3 657 1 1 8 VAL HG13 H -3.774 0.015 -1.269 1.00 . A A . 8 VAL HG13 1 1 3 658 1 1 8 VAL HG21 H -2.181 -2.914 0.206 1.00 . A A . 8 VAL HG21 1 1 3 659 1 1 8 VAL HG22 H -0.879 -2.073 1.045 1.00 . A A . 8 VAL HG22 1 1 3 660 1 1 8 VAL HG23 H -0.797 -2.304 -0.701 1.00 . A A . 8 VAL HG23 1 1 3 661 1 1 8 VAL N N -1.846 1.701 -0.162 1.00 . A A . 8 VAL N 1 1 3 662 1 1 8 VAL O O 0.524 -0.546 -1.746 1.00 . A A . 8 VAL O 1 1 3 663 1 1 9 GLY C C 1.168 1.570 -4.030 1.00 . A A . 9 GLY C 1 1 3 664 1 1 9 GLY CA C -0.232 0.961 -3.983 1.00 . A A . 9 GLY CA 1 1 3 665 1 1 9 GLY H H -1.610 1.612 -2.504 1.00 . A A . 9 GLY H 1 1 3 666 1 1 9 GLY HA2 H -0.168 -0.070 -4.296 1.00 . A A . 9 GLY HA2 1 1 3 667 1 1 9 GLY HA3 H -0.865 1.493 -4.678 1.00 . A A . 9 GLY HA3 1 1 3 668 1 1 9 GLY N N -0.854 1.007 -2.659 1.00 . A A . 9 GLY N 1 1 3 669 1 1 9 GLY O O 1.929 1.293 -4.963 1.00 . A A . 9 GLY O 1 1 3 670 1 1 10 SER C C 3.434 2.939 -1.563 1.00 . A A . 10 SER C 1 1 3 671 1 1 10 SER CA C 2.813 3.047 -2.959 1.00 . A A . 10 SER CA 1 1 3 672 1 1 10 SER CB C 2.695 4.521 -3.366 1.00 . A A . 10 SER CB 1 1 3 673 1 1 10 SER H H 0.849 2.566 -2.316 1.00 . A A . 10 SER H 1 1 3 674 1 1 10 SER HA H 3.462 2.547 -3.661 1.00 . A A . 10 SER HA 1 1 3 675 1 1 10 SER HB2 H 2.011 5.024 -2.699 1.00 . A A . 10 SER HB2 1 1 3 676 1 1 10 SER HB3 H 3.666 4.989 -3.305 1.00 . A A . 10 SER HB3 1 1 3 677 1 1 10 SER HG H 2.316 5.554 -4.987 1.00 . A A . 10 SER HG 1 1 3 678 1 1 10 SER N N 1.502 2.394 -3.027 1.00 . A A . 10 SER N 1 1 3 679 1 1 10 SER O O 4.615 2.592 -1.433 1.00 . A A . 10 SER O 1 1 3 680 1 1 10 SER OG O 2.212 4.646 -4.693 1.00 . A A . 10 SER OG 1 1 3 681 1 1 11 ASN C C 3.654 1.795 1.258 1.00 . A A . 11 ASN C 1 1 3 682 1 1 11 ASN CA C 3.088 3.173 0.884 1.00 . A A . 11 ASN CA 1 1 3 683 1 1 11 ASN CB C 1.944 3.558 1.835 1.00 . A A . 11 ASN CB 1 1 3 684 1 1 11 ASN CG C 2.440 4.143 3.147 1.00 . A A . 11 ASN CG 1 1 3 685 1 1 11 ASN H H 1.687 3.441 -0.695 1.00 . A A . 11 ASN H 1 1 3 686 1 1 11 ASN HA H 3.879 3.903 0.982 1.00 . A A . 11 ASN HA 1 1 3 687 1 1 11 ASN HB2 H 1.316 4.293 1.352 1.00 . A A . 11 ASN HB2 1 1 3 688 1 1 11 ASN HB3 H 1.356 2.679 2.053 1.00 . A A . 11 ASN HB3 1 1 3 689 1 1 11 ASN HD21 H 2.485 2.331 3.964 1.00 . A A . 11 ASN HD21 1 1 3 690 1 1 11 ASN HD22 H 2.975 3.631 4.992 1.00 . A A . 11 ASN HD22 1 1 3 691 1 1 11 ASN N N 2.624 3.212 -0.517 1.00 . A A . 11 ASN N 1 1 3 692 1 1 11 ASN ND2 N 2.655 3.281 4.134 1.00 . A A . 11 ASN ND2 1 1 3 693 1 1 11 ASN O O 4.755 1.703 1.813 1.00 . A A . 11 ASN O 1 1 3 694 1 1 11 ASN OD1 O 2.624 5.354 3.271 1.00 . A A . 11 ASN OD1 1 1 3 695 1 1 12 LYS C C 4.592 -0.985 0.397 1.00 . A A . 12 LYS C 1 1 3 696 1 1 12 LYS CA C 3.331 -0.647 1.205 1.00 . A A . 12 LYS CA 1 1 3 697 1 1 12 LYS CB C 2.195 -1.637 0.886 1.00 . A A . 12 LYS CB 1 1 3 698 1 1 12 LYS CD C 1.507 -2.705 3.077 1.00 . A A . 12 LYS CD 1 1 3 699 1 1 12 LYS CE C 1.541 -3.965 3.930 1.00 . A A . 12 LYS CE 1 1 3 700 1 1 12 LYS CG C 2.209 -2.907 1.736 1.00 . A A . 12 LYS CG 1 1 3 701 1 1 12 LYS H H 2.047 0.876 0.473 1.00 . A A . 12 LYS H 1 1 3 702 1 1 12 LYS HA H 3.564 -0.708 2.257 1.00 . A A . 12 LYS HA 1 1 3 703 1 1 12 LYS HB2 H 1.251 -1.140 1.042 1.00 . A A . 12 LYS HB2 1 1 3 704 1 1 12 LYS HB3 H 2.271 -1.925 -0.153 1.00 . A A . 12 LYS HB3 1 1 3 705 1 1 12 LYS HD2 H 2.000 -1.909 3.613 1.00 . A A . 12 LYS HD2 1 1 3 706 1 1 12 LYS HD3 H 0.478 -2.434 2.894 1.00 . A A . 12 LYS HD3 1 1 3 707 1 1 12 LYS HE2 H 0.844 -3.851 4.746 1.00 . A A . 12 LYS HE2 1 1 3 708 1 1 12 LYS HE3 H 1.243 -4.805 3.319 1.00 . A A . 12 LYS HE3 1 1 3 709 1 1 12 LYS HG2 H 1.706 -3.696 1.197 1.00 . A A . 12 LYS HG2 1 1 3 710 1 1 12 LYS HG3 H 3.235 -3.193 1.918 1.00 . A A . 12 LYS HG3 1 1 3 711 1 1 12 LYS HZ1 H 3.206 -3.428 5.074 1.00 . A A . 12 LYS HZ1 1 1 3 712 1 1 12 LYS HZ2 H 3.582 -4.366 3.718 1.00 . A A . 12 LYS HZ2 1 1 3 713 1 1 12 LYS HZ3 H 2.881 -5.089 5.076 1.00 . A A . 12 LYS HZ3 1 1 3 714 1 1 12 LYS N N 2.905 0.730 0.923 1.00 . A A . 12 LYS N 1 1 3 715 1 1 12 LYS NZ N 2.898 -4.231 4.489 1.00 . A A . 12 LYS NZ 1 1 3 716 1 1 12 LYS O O 5.601 -1.433 0.963 1.00 . A A . 12 LYS O 1 1 3 717 1 1 13 GLY C C 6.894 -0.174 -1.438 1.00 . A A . 13 GLY C 1 1 3 718 1 1 13 GLY CA C 5.651 -0.957 -1.829 1.00 . A A . 13 GLY CA 1 1 3 719 1 1 13 GLY H H 3.697 -0.339 -1.286 1.00 . A A . 13 GLY H 1 1 3 720 1 1 13 GLY HA2 H 5.883 -2.011 -1.819 1.00 . A A . 13 GLY HA2 1 1 3 721 1 1 13 GLY HA3 H 5.360 -0.673 -2.829 1.00 . A A . 13 GLY HA3 1 1 3 722 1 1 13 GLY N N 4.527 -0.712 -0.924 1.00 . A A . 13 GLY N 1 1 3 723 1 1 13 GLY O O 8.017 -0.660 -1.612 1.00 . A A . 13 GLY O 1 1 3 724 1 1 14 ALA C C 8.276 1.449 0.933 1.00 . A A . 14 ALA C 1 1 3 725 1 1 14 ALA CA C 7.785 1.896 -0.450 1.00 . A A . 14 ALA CA 1 1 3 726 1 1 14 ALA CB C 7.354 3.355 -0.415 1.00 . A A . 14 ALA CB 1 1 3 727 1 1 14 ALA H H 5.763 1.379 -0.836 1.00 . A A . 14 ALA H 1 1 3 728 1 1 14 ALA HA H 8.596 1.801 -1.159 1.00 . A A . 14 ALA HA 1 1 3 729 1 1 14 ALA HB1 H 8.192 3.971 -0.123 1.00 . A A . 14 ALA HB1 1 1 3 730 1 1 14 ALA HB2 H 6.553 3.477 0.298 1.00 . A A . 14 ALA HB2 1 1 3 731 1 1 14 ALA HB3 H 7.012 3.653 -1.396 1.00 . A A . 14 ALA HB3 1 1 3 732 1 1 14 ALA N N 6.685 1.043 -0.908 1.00 . A A . 14 ALA N 1 1 3 733 1 1 14 ALA O O 9.488 1.416 1.189 1.00 . A A . 14 ALA O 1 1 3 734 1 1 15 ILE C C 8.350 -0.749 3.156 1.00 . A A . 15 ILE C 1 1 3 735 1 1 15 ILE CA C 7.631 0.618 3.173 1.00 . A A . 15 ILE CA 1 1 3 736 1 1 15 ILE CB C 6.345 0.596 4.078 1.00 . A A . 15 ILE CB 1 1 3 737 1 1 15 ILE CD1 C 7.588 0.064 6.330 1.00 . A A . 15 ILE CD1 1 1 3 738 1 1 15 ILE CG1 C 6.670 1.003 5.546 1.00 . A A . 15 ILE CG1 1 1 3 739 1 1 15 ILE CG2 C 5.585 -0.739 4.017 1.00 . A A . 15 ILE CG2 1 1 3 740 1 1 15 ILE H H 6.377 1.117 1.531 1.00 . A A . 15 ILE H 1 1 3 741 1 1 15 ILE HA H 8.314 1.344 3.596 1.00 . A A . 15 ILE HA 1 1 3 742 1 1 15 ILE HB H 5.677 1.343 3.674 1.00 . A A . 15 ILE HB 1 1 3 743 1 1 15 ILE HD11 H 7.137 -0.915 6.389 1.00 . A A . 15 ILE HD11 1 1 3 744 1 1 15 ILE HD12 H 7.734 0.453 7.327 1.00 . A A . 15 ILE HD12 1 1 3 745 1 1 15 ILE HD13 H 8.542 -0.008 5.829 1.00 . A A . 15 ILE HD13 1 1 3 746 1 1 15 ILE HG12 H 7.142 1.972 5.537 1.00 . A A . 15 ILE HG12 1 1 3 747 1 1 15 ILE HG13 H 5.740 1.079 6.093 1.00 . A A . 15 ILE HG13 1 1 3 748 1 1 15 ILE HG21 H 6.058 -1.450 4.678 1.00 . A A . 15 ILE HG21 1 1 3 749 1 1 15 ILE HG22 H 5.609 -1.119 3.008 1.00 . A A . 15 ILE HG22 1 1 3 750 1 1 15 ILE HG23 H 4.561 -0.586 4.325 1.00 . A A . 15 ILE HG23 1 1 3 751 1 1 15 ILE N N 7.318 1.076 1.811 1.00 . A A . 15 ILE N 1 1 3 752 1 1 15 ILE O O 9.225 -0.996 3.991 1.00 . A A . 15 ILE O 1 1 3 753 1 1 16 ILE C C 10.032 -2.816 1.475 1.00 . A A . 16 ILE C 1 1 3 754 1 1 16 ILE CA C 8.624 -2.951 2.078 1.00 . A A . 16 ILE CA 1 1 3 755 1 1 16 ILE CB C 7.780 -3.983 1.256 1.00 . A A . 16 ILE CB 1 1 3 756 1 1 16 ILE CD1 C 8.310 -3.978 -1.245 1.00 . A A . 16 ILE CD1 1 1 3 757 1 1 16 ILE CG1 C 7.403 -3.467 -0.147 1.00 . A A . 16 ILE CG1 1 1 3 758 1 1 16 ILE CG2 C 6.525 -4.374 2.024 1.00 . A A . 16 ILE CG2 1 1 3 759 1 1 16 ILE H H 7.261 -1.383 1.574 1.00 . A A . 16 ILE H 1 1 3 760 1 1 16 ILE HA H 8.730 -3.340 3.082 1.00 . A A . 16 ILE HA 1 1 3 761 1 1 16 ILE HB H 8.380 -4.875 1.146 1.00 . A A . 16 ILE HB 1 1 3 762 1 1 16 ILE HD11 H 8.264 -5.056 -1.280 1.00 . A A . 16 ILE HD11 1 1 3 763 1 1 16 ILE HD12 H 9.326 -3.667 -1.047 1.00 . A A . 16 ILE HD12 1 1 3 764 1 1 16 ILE HD13 H 7.990 -3.573 -2.194 1.00 . A A . 16 ILE HD13 1 1 3 765 1 1 16 ILE HG12 H 6.396 -3.780 -0.379 1.00 . A A . 16 ILE HG12 1 1 3 766 1 1 16 ILE HG13 H 7.450 -2.389 -0.150 1.00 . A A . 16 ILE HG13 1 1 3 767 1 1 16 ILE HG21 H 5.921 -3.494 2.199 1.00 . A A . 16 ILE HG21 1 1 3 768 1 1 16 ILE HG22 H 6.803 -4.813 2.970 1.00 . A A . 16 ILE HG22 1 1 3 769 1 1 16 ILE HG23 H 5.958 -5.090 1.446 1.00 . A A . 16 ILE HG23 1 1 3 770 1 1 16 ILE N N 7.979 -1.627 2.198 1.00 . A A . 16 ILE N 1 1 3 771 1 1 16 ILE O O 10.983 -3.442 1.952 1.00 . A A . 16 ILE O 1 1 3 772 1 1 17 GLY C C 12.364 -0.887 0.593 1.00 . A A . 17 GLY C 1 1 3 773 1 1 17 GLY CA C 11.411 -1.731 -0.245 1.00 . A A . 17 GLY CA 1 1 3 774 1 1 17 GLY H H 9.329 -1.540 0.095 1.00 . A A . 17 GLY H 1 1 3 775 1 1 17 GLY HA2 H 11.885 -2.675 -0.462 1.00 . A A . 17 GLY HA2 1 1 3 776 1 1 17 GLY HA3 H 11.217 -1.217 -1.174 1.00 . A A . 17 GLY HA3 1 1 3 777 1 1 17 GLY N N 10.137 -1.987 0.423 1.00 . A A . 17 GLY N 1 1 3 778 1 1 17 GLY O O 13.563 -1.174 0.651 1.00 . A A . 17 GLY O 1 1 3 779 1 1 18 LEU C C 11.954 1.237 3.447 1.00 . A A . 18 LEU C 1 1 3 780 1 1 18 LEU CA C 12.613 1.055 2.076 1.00 . A A . 18 LEU CA 1 1 3 781 1 1 18 LEU CB C 12.792 2.414 1.375 1.00 . A A . 18 LEU CB 1 1 3 782 1 1 18 LEU CD1 C 15.259 2.850 1.082 1.00 . A A . 18 LEU CD1 1 1 3 783 1 1 18 LEU CD2 C 13.712 4.733 1.644 1.00 . A A . 18 LEU CD2 1 1 3 784 1 1 18 LEU CG C 13.996 3.251 1.835 1.00 . A A . 18 LEU CG 1 1 3 785 1 1 18 LEU H H 10.855 0.319 1.152 1.00 . A A . 18 LEU H 1 1 3 786 1 1 18 LEU HA H 13.583 0.603 2.217 1.00 . A A . 18 LEU HA 1 1 3 787 1 1 18 LEU HB2 H 12.893 2.234 0.315 1.00 . A A . 18 LEU HB2 1 1 3 788 1 1 18 LEU HB3 H 11.897 2.997 1.537 1.00 . A A . 18 LEU HB3 1 1 3 789 1 1 18 LEU HD11 H 15.474 1.808 1.270 1.00 . A A . 18 LEU HD11 1 1 3 790 1 1 18 LEU HD12 H 16.088 3.454 1.421 1.00 . A A . 18 LEU HD12 1 1 3 791 1 1 18 LEU HD13 H 15.112 3.002 0.023 1.00 . A A . 18 LEU HD13 1 1 3 792 1 1 18 LEU HD21 H 12.855 5.015 2.239 1.00 . A A . 18 LEU HD21 1 1 3 793 1 1 18 LEU HD22 H 13.508 4.930 0.602 1.00 . A A . 18 LEU HD22 1 1 3 794 1 1 18 LEU HD23 H 14.572 5.308 1.958 1.00 . A A . 18 LEU HD23 1 1 3 795 1 1 18 LEU HG H 14.167 3.076 2.887 1.00 . A A . 18 LEU HG 1 1 3 796 1 1 18 LEU N N 11.819 0.156 1.239 1.00 . A A . 18 LEU N 1 1 3 797 1 1 18 LEU O O 12.590 0.872 4.458 1.00 . A A . 18 LEU O 1 1 3 798 1 1 18 LEU OXT O 10.807 1.732 3.497 1.00 . A A . 18 LEU OXT 1 1 4 799 1 1 1 LEU C C -13.467 2.241 -2.569 1.00 . A A . 1 LEU C 1 1 4 800 1 1 1 LEU CA C -14.341 3.487 -2.388 1.00 . A A . 1 LEU CA 1 1 4 801 1 1 1 LEU CB C -14.794 4.027 -3.756 1.00 . A A . 1 LEU CB 1 1 4 802 1 1 1 LEU CD1 C -17.302 3.841 -3.925 1.00 . A A . 1 LEU CD1 1 1 4 803 1 1 1 LEU CD2 C -15.875 3.376 -5.928 1.00 . A A . 1 LEU CD2 1 1 4 804 1 1 1 LEU CG C -15.969 3.286 -4.412 1.00 . A A . 1 LEU CG 1 1 4 805 1 1 1 LEU H1 H -13.366 4.205 -0.688 1.00 . A A . 1 LEU H1 1 1 4 806 1 1 1 LEU H2 H -14.206 5.393 -1.551 1.00 . A A . 1 LEU H2 1 1 4 807 1 1 1 LEU H3 H -12.738 4.798 -2.142 1.00 . A A . 1 LEU H3 1 1 4 808 1 1 1 LEU HA H -15.215 3.213 -1.814 1.00 . A A . 1 LEU HA 1 1 4 809 1 1 1 LEU HB2 H -15.076 5.062 -3.632 1.00 . A A . 1 LEU HB2 1 1 4 810 1 1 1 LEU HB3 H -13.951 3.983 -4.430 1.00 . A A . 1 LEU HB3 1 1 4 811 1 1 1 LEU HD11 H -17.371 4.888 -4.181 1.00 . A A . 1 LEU HD11 1 1 4 812 1 1 1 LEU HD12 H -17.370 3.728 -2.853 1.00 . A A . 1 LEU HD12 1 1 4 813 1 1 1 LEU HD13 H -18.111 3.301 -4.395 1.00 . A A . 1 LEU HD13 1 1 4 814 1 1 1 LEU HD21 H -15.856 4.414 -6.226 1.00 . A A . 1 LEU HD21 1 1 4 815 1 1 1 LEU HD22 H -16.731 2.890 -6.372 1.00 . A A . 1 LEU HD22 1 1 4 816 1 1 1 LEU HD23 H -14.970 2.889 -6.261 1.00 . A A . 1 LEU HD23 1 1 4 817 1 1 1 LEU HG H -15.925 2.242 -4.136 1.00 . A A . 1 LEU HG 1 1 4 818 1 1 1 LEU N N -13.612 4.545 -1.641 1.00 . A A . 1 LEU N 1 1 4 819 1 1 1 LEU O O -13.950 1.114 -2.419 1.00 . A A . 1 LEU O 1 1 4 820 1 1 2 VAL C C -10.388 1.108 -1.822 1.00 . A A . 2 VAL C 1 1 4 821 1 1 2 VAL CA C -11.233 1.357 -3.096 1.00 . A A . 2 VAL CA 1 1 4 822 1 1 2 VAL CB C -10.312 1.607 -4.338 1.00 . A A . 2 VAL CB 1 1 4 823 1 1 2 VAL CG1 C -11.087 1.383 -5.629 1.00 . A A . 2 VAL CG1 1 1 4 824 1 1 2 VAL CG2 C -9.690 3.008 -4.331 1.00 . A A . 2 VAL CG2 1 1 4 825 1 1 2 VAL H H -11.871 3.379 -2.992 1.00 . A A . 2 VAL H 1 1 4 826 1 1 2 VAL HA H -11.825 0.469 -3.293 1.00 . A A . 2 VAL HA 1 1 4 827 1 1 2 VAL HB H -9.510 0.884 -4.307 1.00 . A A . 2 VAL HB 1 1 4 828 1 1 2 VAL HG11 H -11.432 0.360 -5.667 1.00 . A A . 2 VAL HG11 1 1 4 829 1 1 2 VAL HG12 H -10.443 1.577 -6.473 1.00 . A A . 2 VAL HG12 1 1 4 830 1 1 2 VAL HG13 H -11.935 2.051 -5.661 1.00 . A A . 2 VAL HG13 1 1 4 831 1 1 2 VAL HG21 H -9.094 3.132 -3.439 1.00 . A A . 2 VAL HG21 1 1 4 832 1 1 2 VAL HG22 H -10.474 3.750 -4.347 1.00 . A A . 2 VAL HG22 1 1 4 833 1 1 2 VAL HG23 H -9.064 3.127 -5.202 1.00 . A A . 2 VAL HG23 1 1 4 834 1 1 2 VAL N N -12.185 2.456 -2.889 1.00 . A A . 2 VAL N 1 1 4 835 1 1 2 VAL O O -10.793 1.514 -0.727 1.00 . A A . 2 VAL O 1 1 4 836 1 1 3 PHE C C -6.993 0.889 -0.960 1.00 . A A . 3 PHE C 1 1 4 837 1 1 3 PHE CA C -8.341 0.148 -0.831 1.00 . A A . 3 PHE CA 1 1 4 838 1 1 3 PHE CB C -8.138 -1.383 -0.693 1.00 . A A . 3 PHE CB 1 1 4 839 1 1 3 PHE CD1 C -8.480 -2.384 -2.985 1.00 . A A . 3 PHE CD1 1 1 4 840 1 1 3 PHE CD2 C -6.293 -2.452 -2.035 1.00 . A A . 3 PHE CD2 1 1 4 841 1 1 3 PHE CE1 C -8.012 -3.031 -4.114 1.00 . A A . 3 PHE CE1 1 1 4 842 1 1 3 PHE CE2 C -5.820 -3.098 -3.162 1.00 . A A . 3 PHE CE2 1 1 4 843 1 1 3 PHE CG C -7.626 -2.087 -1.933 1.00 . A A . 3 PHE CG 1 1 4 844 1 1 3 PHE CZ C -6.680 -3.386 -4.203 1.00 . A A . 3 PHE CZ 1 1 4 845 1 1 3 PHE H H -8.941 0.157 -2.862 1.00 . A A . 3 PHE H 1 1 4 846 1 1 3 PHE HA H -8.840 0.505 0.062 1.00 . A A . 3 PHE HA 1 1 4 847 1 1 3 PHE HB2 H -7.429 -1.569 0.099 1.00 . A A . 3 PHE HB2 1 1 4 848 1 1 3 PHE HB3 H -9.083 -1.835 -0.426 1.00 . A A . 3 PHE HB3 1 1 4 849 1 1 3 PHE HD1 H -9.520 -2.105 -2.919 1.00 . A A . 3 PHE HD1 1 1 4 850 1 1 3 PHE HD2 H -5.620 -2.229 -1.221 1.00 . A A . 3 PHE HD2 1 1 4 851 1 1 3 PHE HE1 H -8.687 -3.256 -4.927 1.00 . A A . 3 PHE HE1 1 1 4 852 1 1 3 PHE HE2 H -4.778 -3.375 -3.228 1.00 . A A . 3 PHE HE2 1 1 4 853 1 1 3 PHE HZ H -6.313 -3.891 -5.085 1.00 . A A . 3 PHE HZ 1 1 4 854 1 1 3 PHE N N -9.222 0.444 -1.967 1.00 . A A . 3 PHE N 1 1 4 855 1 1 3 PHE O O -5.991 0.501 -0.340 1.00 . A A . 3 PHE O 1 1 4 856 1 1 4 PHE C C -5.258 3.427 -0.680 1.00 . A A . 4 PHE C 1 1 4 857 1 1 4 PHE CA C -5.785 2.803 -1.984 1.00 . A A . 4 PHE CA 1 1 4 858 1 1 4 PHE CB C -6.101 3.902 -3.009 1.00 . A A . 4 PHE CB 1 1 4 859 1 1 4 PHE CD1 C -4.468 3.813 -4.919 1.00 . A A . 4 PHE CD1 1 1 4 860 1 1 4 PHE CD2 C -4.199 5.521 -3.277 1.00 . A A . 4 PHE CD2 1 1 4 861 1 1 4 PHE CE1 C -3.365 4.291 -5.601 1.00 . A A . 4 PHE CE1 1 1 4 862 1 1 4 PHE CE2 C -3.096 6.003 -3.954 1.00 . A A . 4 PHE CE2 1 1 4 863 1 1 4 PHE CG C -4.897 4.422 -3.750 1.00 . A A . 4 PHE CG 1 1 4 864 1 1 4 PHE CZ C -2.678 5.388 -5.118 1.00 . A A . 4 PHE CZ 1 1 4 865 1 1 4 PHE H H -7.821 2.245 -2.197 1.00 . A A . 4 PHE H 1 1 4 866 1 1 4 PHE HA H -5.022 2.157 -2.392 1.00 . A A . 4 PHE HA 1 1 4 867 1 1 4 PHE HB2 H -6.792 3.512 -3.741 1.00 . A A . 4 PHE HB2 1 1 4 868 1 1 4 PHE HB3 H -6.561 4.736 -2.499 1.00 . A A . 4 PHE HB3 1 1 4 869 1 1 4 PHE HD1 H -5.005 2.956 -5.298 1.00 . A A . 4 PHE HD1 1 1 4 870 1 1 4 PHE HD2 H -4.525 6.004 -2.367 1.00 . A A . 4 PHE HD2 1 1 4 871 1 1 4 PHE HE1 H -3.041 3.807 -6.511 1.00 . A A . 4 PHE HE1 1 1 4 872 1 1 4 PHE HE2 H -2.560 6.860 -3.575 1.00 . A A . 4 PHE HE2 1 1 4 873 1 1 4 PHE HZ H -1.816 5.763 -5.650 1.00 . A A . 4 PHE HZ 1 1 4 874 1 1 4 PHE N N -6.988 1.983 -1.751 1.00 . A A . 4 PHE N 1 1 4 875 1 1 4 PHE O O -4.041 3.472 -0.453 1.00 . A A . 4 PHE O 1 1 4 876 1 1 5 ALA C C -5.056 3.549 2.369 1.00 . A A . 5 ALA C 1 1 4 877 1 1 5 ALA CA C -5.851 4.504 1.473 1.00 . A A . 5 ALA CA 1 1 4 878 1 1 5 ALA CB C -7.118 4.959 2.183 1.00 . A A . 5 ALA CB 1 1 4 879 1 1 5 ALA H H -7.135 3.805 -0.070 1.00 . A A . 5 ALA H 1 1 4 880 1 1 5 ALA HA H -5.247 5.377 1.275 1.00 . A A . 5 ALA HA 1 1 4 881 1 1 5 ALA HB1 H -6.856 5.472 3.097 1.00 . A A . 5 ALA HB1 1 1 4 882 1 1 5 ALA HB2 H -7.729 4.099 2.415 1.00 . A A . 5 ALA HB2 1 1 4 883 1 1 5 ALA HB3 H -7.670 5.629 1.541 1.00 . A A . 5 ALA HB3 1 1 4 884 1 1 5 ALA N N -6.190 3.886 0.178 1.00 . A A . 5 ALA N 1 1 4 885 1 1 5 ALA O O -4.224 3.984 3.171 1.00 . A A . 5 ALA O 1 1 4 886 1 1 6 GLU C C -3.465 0.648 2.163 1.00 . A A . 6 GLU C 1 1 4 887 1 1 6 GLU CA C -4.638 1.202 2.974 1.00 . A A . 6 GLU CA 1 1 4 888 1 1 6 GLU CB C -5.604 0.071 3.338 1.00 . A A . 6 GLU CB 1 1 4 889 1 1 6 GLU CD C -7.502 -0.716 4.813 1.00 . A A . 6 GLU CD 1 1 4 890 1 1 6 GLU CG C -6.571 0.427 4.459 1.00 . A A . 6 GLU CG 1 1 4 891 1 1 6 GLU H H -6.020 1.985 1.574 1.00 . A A . 6 GLU H 1 1 4 892 1 1 6 GLU HA H -4.255 1.646 3.881 1.00 . A A . 6 GLU HA 1 1 4 893 1 1 6 GLU HB2 H -6.183 -0.189 2.464 1.00 . A A . 6 GLU HB2 1 1 4 894 1 1 6 GLU HB3 H -5.031 -0.791 3.647 1.00 . A A . 6 GLU HB3 1 1 4 895 1 1 6 GLU HG2 H -6.001 0.691 5.337 1.00 . A A . 6 GLU HG2 1 1 4 896 1 1 6 GLU HG3 H -7.165 1.274 4.149 1.00 . A A . 6 GLU HG3 1 1 4 897 1 1 6 GLU N N -5.329 2.247 2.217 1.00 . A A . 6 GLU N 1 1 4 898 1 1 6 GLU O O -2.428 0.288 2.726 1.00 . A A . 6 GLU O 1 1 4 899 1 1 6 GLU OE1 O -7.102 -1.577 5.625 1.00 . A A . 6 GLU OE1 1 1 4 900 1 1 6 GLU OE2 O -8.630 -0.750 4.279 1.00 . A A . 6 GLU OE2 1 1 4 901 1 1 7 ASP C C -1.437 1.076 -0.213 1.00 . A A . 7 ASP C 1 1 4 902 1 1 7 ASP CA C -2.616 0.094 -0.095 1.00 . A A . 7 ASP CA 1 1 4 903 1 1 7 ASP CB C -3.229 -0.147 -1.479 1.00 . A A . 7 ASP CB 1 1 4 904 1 1 7 ASP CG C -2.528 -1.255 -2.248 1.00 . A A . 7 ASP CG 1 1 4 905 1 1 7 ASP H H -4.508 0.881 0.462 1.00 . A A . 7 ASP H 1 1 4 906 1 1 7 ASP HA H -2.251 -0.843 0.292 1.00 . A A . 7 ASP HA 1 1 4 907 1 1 7 ASP HB2 H -4.265 -0.416 -1.363 1.00 . A A . 7 ASP HB2 1 1 4 908 1 1 7 ASP HB3 H -3.161 0.763 -2.056 1.00 . A A . 7 ASP HB3 1 1 4 909 1 1 7 ASP N N -3.647 0.586 0.831 1.00 . A A . 7 ASP N 1 1 4 910 1 1 7 ASP O O -0.309 0.664 -0.529 1.00 . A A . 7 ASP O 1 1 4 911 1 1 7 ASP OD1 O -2.866 -2.437 -2.024 1.00 . A A . 7 ASP OD1 1 1 4 912 1 1 7 ASP OD2 O -1.649 -0.940 -3.075 1.00 . A A . 7 ASP OD2 1 1 4 913 1 1 8 VAL C C 0.033 3.464 -1.392 1.00 . A A . 8 VAL C 1 1 4 914 1 1 8 VAL CA C -0.730 3.477 -0.031 1.00 . A A . 8 VAL CA 1 1 4 915 1 1 8 VAL CB C 0.203 3.479 1.247 1.00 . A A . 8 VAL CB 1 1 4 916 1 1 8 VAL CG1 C 1.315 2.428 1.208 1.00 . A A . 8 VAL CG1 1 1 4 917 1 1 8 VAL CG2 C 0.777 4.871 1.508 1.00 . A A . 8 VAL CG2 1 1 4 918 1 1 8 VAL H H -2.651 2.614 0.254 1.00 . A A . 8 VAL H 1 1 4 919 1 1 8 VAL HA H -1.306 4.396 -0.004 1.00 . A A . 8 VAL HA 1 1 4 920 1 1 8 VAL HB H -0.424 3.235 2.092 1.00 . A A . 8 VAL HB 1 1 4 921 1 1 8 VAL HG11 H 0.878 1.447 1.103 1.00 . A A . 8 VAL HG11 1 1 4 922 1 1 8 VAL HG12 H 1.885 2.472 2.125 1.00 . A A . 8 VAL HG12 1 1 4 923 1 1 8 VAL HG13 H 1.967 2.625 0.370 1.00 . A A . 8 VAL HG13 1 1 4 924 1 1 8 VAL HG21 H 1.231 5.251 0.606 1.00 . A A . 8 VAL HG21 1 1 4 925 1 1 8 VAL HG22 H 1.522 4.813 2.288 1.00 . A A . 8 VAL HG22 1 1 4 926 1 1 8 VAL HG23 H -0.017 5.534 1.818 1.00 . A A . 8 VAL HG23 1 1 4 927 1 1 8 VAL N N -1.723 2.379 0.030 1.00 . A A . 8 VAL N 1 1 4 928 1 1 8 VAL O O -0.544 3.050 -2.402 1.00 . A A . 8 VAL O 1 1 4 929 1 1 9 GLY C C 2.257 2.560 -3.287 1.00 . A A . 9 GLY C 1 1 4 930 1 1 9 GLY CA C 2.088 3.937 -2.655 1.00 . A A . 9 GLY CA 1 1 4 931 1 1 9 GLY H H 1.715 4.226 -0.586 1.00 . A A . 9 GLY H 1 1 4 932 1 1 9 GLY HA2 H 1.595 4.584 -3.365 1.00 . A A . 9 GLY HA2 1 1 4 933 1 1 9 GLY HA3 H 3.066 4.341 -2.438 1.00 . A A . 9 GLY HA3 1 1 4 934 1 1 9 GLY N N 1.304 3.913 -1.418 1.00 . A A . 9 GLY N 1 1 4 935 1 1 9 GLY O O 1.907 2.365 -4.455 1.00 . A A . 9 GLY O 1 1 4 936 1 1 10 SER C C 2.979 -0.760 -1.796 1.00 . A A . 10 SER C 1 1 4 937 1 1 10 SER CA C 3.011 0.234 -2.972 1.00 . A A . 10 SER CA 1 1 4 938 1 1 10 SER CB C 4.345 0.124 -3.737 1.00 . A A . 10 SER CB 1 1 4 939 1 1 10 SER H H 3.053 1.845 -1.590 1.00 . A A . 10 SER H 1 1 4 940 1 1 10 SER HA H 2.203 -0.011 -3.646 1.00 . A A . 10 SER HA 1 1 4 941 1 1 10 SER HB2 H 5.160 0.374 -3.076 1.00 . A A . 10 SER HB2 1 1 4 942 1 1 10 SER HB3 H 4.469 -0.889 -4.093 1.00 . A A . 10 SER HB3 1 1 4 943 1 1 10 SER HG H 3.568 1.527 -4.862 1.00 . A A . 10 SER HG 1 1 4 944 1 1 10 SER N N 2.794 1.612 -2.505 1.00 . A A . 10 SER N 1 1 4 945 1 1 10 SER O O 3.844 -1.637 -1.692 1.00 . A A . 10 SER O 1 1 4 946 1 1 10 SER OG O 4.373 1.004 -4.847 1.00 . A A . 10 SER OG 1 1 4 947 1 1 11 ASN C C 3.046 -2.175 0.793 1.00 . A A . 11 ASN C 1 1 4 948 1 1 11 ASN CA C 1.762 -1.457 0.295 1.00 . A A . 11 ASN CA 1 1 4 949 1 1 11 ASN CB C 0.608 -2.460 0.045 1.00 . A A . 11 ASN CB 1 1 4 950 1 1 11 ASN CG C 0.677 -3.160 -1.309 1.00 . A A . 11 ASN CG 1 1 4 951 1 1 11 ASN H H 1.333 0.137 -1.056 1.00 . A A . 11 ASN H 1 1 4 952 1 1 11 ASN HA H 1.448 -0.794 1.089 1.00 . A A . 11 ASN HA 1 1 4 953 1 1 11 ASN HB2 H 0.632 -3.217 0.814 1.00 . A A . 11 ASN HB2 1 1 4 954 1 1 11 ASN HB3 H -0.330 -1.932 0.105 1.00 . A A . 11 ASN HB3 1 1 4 955 1 1 11 ASN HD21 H 1.466 -4.781 -0.467 1.00 . A A . 11 ASN HD21 1 1 4 956 1 1 11 ASN HD22 H 1.228 -4.862 -2.177 1.00 . A A . 11 ASN HD22 1 1 4 957 1 1 11 ASN N N 1.972 -0.595 -0.903 1.00 . A A . 11 ASN N 1 1 4 958 1 1 11 ASN ND2 N 1.173 -4.393 -1.319 1.00 . A A . 11 ASN ND2 1 1 4 959 1 1 11 ASN O O 3.897 -1.548 1.442 1.00 . A A . 11 ASN O 1 1 4 960 1 1 11 ASN OD1 O 0.273 -2.602 -2.328 1.00 . A A . 11 ASN OD1 1 1 4 961 1 1 12 LYS C C 5.648 -3.694 0.284 1.00 . A A . 12 LYS C 1 1 4 962 1 1 12 LYS CA C 4.352 -4.291 0.848 1.00 . A A . 12 LYS CA 1 1 4 963 1 1 12 LYS CB C 4.163 -5.744 0.365 1.00 . A A . 12 LYS CB 1 1 4 964 1 1 12 LYS CD C 6.321 -7.015 0.824 1.00 . A A . 12 LYS CD 1 1 4 965 1 1 12 LYS CE C 6.479 -8.141 -0.195 1.00 . A A . 12 LYS CE 1 1 4 966 1 1 12 LYS CG C 4.861 -6.803 1.229 1.00 . A A . 12 LYS CG 1 1 4 967 1 1 12 LYS H H 2.490 -3.898 -0.089 1.00 . A A . 12 LYS H 1 1 4 968 1 1 12 LYS HA H 4.402 -4.286 1.925 1.00 . A A . 12 LYS HA 1 1 4 969 1 1 12 LYS HB2 H 3.106 -5.967 0.350 1.00 . A A . 12 LYS HB2 1 1 4 970 1 1 12 LYS HB3 H 4.547 -5.826 -0.641 1.00 . A A . 12 LYS HB3 1 1 4 971 1 1 12 LYS HD2 H 6.698 -6.101 0.390 1.00 . A A . 12 LYS HD2 1 1 4 972 1 1 12 LYS HD3 H 6.897 -7.258 1.705 1.00 . A A . 12 LYS HD3 1 1 4 973 1 1 12 LYS HE2 H 5.754 -8.000 -0.982 1.00 . A A . 12 LYS HE2 1 1 4 974 1 1 12 LYS HE3 H 7.474 -8.095 -0.611 1.00 . A A . 12 LYS HE3 1 1 4 975 1 1 12 LYS HG2 H 4.827 -6.488 2.261 1.00 . A A . 12 LYS HG2 1 1 4 976 1 1 12 LYS HG3 H 4.332 -7.740 1.124 1.00 . A A . 12 LYS HG3 1 1 4 977 1 1 12 LYS HZ1 H 6.394 -10.228 -0.300 1.00 . A A . 12 LYS HZ1 1 1 4 978 1 1 12 LYS HZ2 H 5.309 -9.554 0.809 1.00 . A A . 12 LYS HZ2 1 1 4 979 1 1 12 LYS HZ3 H 6.956 -9.638 1.184 1.00 . A A . 12 LYS HZ3 1 1 4 980 1 1 12 LYS N N 3.191 -3.477 0.451 1.00 . A A . 12 LYS N 1 1 4 981 1 1 12 LYS NZ N 6.270 -9.484 0.417 1.00 . A A . 12 LYS NZ 1 1 4 982 1 1 12 LYS O O 6.587 -3.397 1.040 1.00 . A A . 12 LYS O 1 1 4 983 1 1 13 GLY C C 7.162 -1.509 -1.217 1.00 . A A . 13 GLY C 1 1 4 984 1 1 13 GLY CA C 6.809 -2.894 -1.740 1.00 . A A . 13 GLY CA 1 1 4 985 1 1 13 GLY H H 4.868 -3.729 -1.570 1.00 . A A . 13 GLY H 1 1 4 986 1 1 13 GLY HA2 H 7.662 -3.542 -1.614 1.00 . A A . 13 GLY HA2 1 1 4 987 1 1 13 GLY HA3 H 6.579 -2.821 -2.792 1.00 . A A . 13 GLY HA3 1 1 4 988 1 1 13 GLY N N 5.660 -3.481 -1.048 1.00 . A A . 13 GLY N 1 1 4 989 1 1 13 GLY O O 8.323 -1.093 -1.286 1.00 . A A . 13 GLY O 1 1 4 990 1 1 14 ALA C C 6.888 0.436 1.309 1.00 . A A . 14 ALA C 1 1 4 991 1 1 14 ALA CA C 6.339 0.536 -0.121 1.00 . A A . 14 ALA CA 1 1 4 992 1 1 14 ALA CB C 5.036 1.327 -0.134 1.00 . A A . 14 ALA CB 1 1 4 993 1 1 14 ALA H H 5.241 -1.182 -0.708 1.00 . A A . 14 ALA H 1 1 4 994 1 1 14 ALA HA H 7.055 1.060 -0.737 1.00 . A A . 14 ALA HA 1 1 4 995 1 1 14 ALA HB1 H 4.745 1.526 -1.154 1.00 . A A . 14 ALA HB1 1 1 4 996 1 1 14 ALA HB2 H 5.178 2.262 0.388 1.00 . A A . 14 ALA HB2 1 1 4 997 1 1 14 ALA HB3 H 4.263 0.755 0.357 1.00 . A A . 14 ALA HB3 1 1 4 998 1 1 14 ALA N N 6.146 -0.797 -0.695 1.00 . A A . 14 ALA N 1 1 4 999 1 1 14 ALA O O 7.888 1.088 1.642 1.00 . A A . 14 ALA O 1 1 4 1000 1 1 15 ILE C C 8.050 -1.274 3.654 1.00 . A A . 15 ILE C 1 1 4 1001 1 1 15 ILE CA C 6.667 -0.612 3.547 1.00 . A A . 15 ILE CA 1 1 4 1002 1 1 15 ILE CB C 5.631 -1.418 4.394 1.00 . A A . 15 ILE CB 1 1 4 1003 1 1 15 ILE CD1 C 6.050 -3.936 4.436 1.00 . A A . 15 ILE CD1 1 1 4 1004 1 1 15 ILE CG1 C 5.318 -2.789 3.774 1.00 . A A . 15 ILE CG1 1 1 4 1005 1 1 15 ILE CG2 C 4.348 -0.617 4.579 1.00 . A A . 15 ILE CG2 1 1 4 1006 1 1 15 ILE H H 5.481 -0.930 1.800 1.00 . A A . 15 ILE H 1 1 4 1007 1 1 15 ILE HA H 6.742 0.375 3.984 1.00 . A A . 15 ILE HA 1 1 4 1008 1 1 15 ILE HB H 6.060 -1.572 5.374 1.00 . A A . 15 ILE HB 1 1 4 1009 1 1 15 ILE HD11 H 7.115 -3.777 4.358 1.00 . A A . 15 ILE HD11 1 1 4 1010 1 1 15 ILE HD12 H 5.787 -4.862 3.945 1.00 . A A . 15 ILE HD12 1 1 4 1011 1 1 15 ILE HD13 H 5.770 -3.989 5.478 1.00 . A A . 15 ILE HD13 1 1 4 1012 1 1 15 ILE HG12 H 4.259 -2.981 3.850 1.00 . A A . 15 ILE HG12 1 1 4 1013 1 1 15 ILE HG13 H 5.605 -2.770 2.734 1.00 . A A . 15 ILE HG13 1 1 4 1014 1 1 15 ILE HG21 H 3.647 -1.191 5.167 1.00 . A A . 15 ILE HG21 1 1 4 1015 1 1 15 ILE HG22 H 3.916 -0.400 3.614 1.00 . A A . 15 ILE HG22 1 1 4 1016 1 1 15 ILE HG23 H 4.572 0.309 5.088 1.00 . A A . 15 ILE HG23 1 1 4 1017 1 1 15 ILE N N 6.248 -0.421 2.141 1.00 . A A . 15 ILE N 1 1 4 1018 1 1 15 ILE O O 8.863 -0.873 4.493 1.00 . A A . 15 ILE O 1 1 4 1019 1 1 16 ILE C C 10.651 -2.148 2.008 1.00 . A A . 16 ILE C 1 1 4 1020 1 1 16 ILE CA C 9.613 -2.970 2.805 1.00 . A A . 16 ILE CA 1 1 4 1021 1 1 16 ILE CB C 9.505 -4.450 2.280 1.00 . A A . 16 ILE CB 1 1 4 1022 1 1 16 ILE CD1 C 10.621 -5.914 4.062 1.00 . A A . 16 ILE CD1 1 1 4 1023 1 1 16 ILE CG1 C 10.736 -5.279 2.690 1.00 . A A . 16 ILE CG1 1 1 4 1024 1 1 16 ILE CG2 C 9.304 -4.526 0.766 1.00 . A A . 16 ILE CG2 1 1 4 1025 1 1 16 ILE H H 7.617 -2.573 2.167 1.00 . A A . 16 ILE H 1 1 4 1026 1 1 16 ILE HA H 9.943 -3.010 3.834 1.00 . A A . 16 ILE HA 1 1 4 1027 1 1 16 ILE HB H 8.633 -4.890 2.740 1.00 . A A . 16 ILE HB 1 1 4 1028 1 1 16 ILE HD11 H 10.496 -5.142 4.807 1.00 . A A . 16 ILE HD11 1 1 4 1029 1 1 16 ILE HD12 H 11.519 -6.476 4.274 1.00 . A A . 16 ILE HD12 1 1 4 1030 1 1 16 ILE HD13 H 9.768 -6.576 4.082 1.00 . A A . 16 ILE HD13 1 1 4 1031 1 1 16 ILE HG12 H 10.883 -6.071 1.972 1.00 . A A . 16 ILE HG12 1 1 4 1032 1 1 16 ILE HG13 H 11.607 -4.637 2.693 1.00 . A A . 16 ILE HG13 1 1 4 1033 1 1 16 ILE HG21 H 8.378 -4.039 0.503 1.00 . A A . 16 ILE HG21 1 1 4 1034 1 1 16 ILE HG22 H 9.268 -5.560 0.459 1.00 . A A . 16 ILE HG22 1 1 4 1035 1 1 16 ILE HG23 H 10.125 -4.030 0.268 1.00 . A A . 16 ILE HG23 1 1 4 1036 1 1 16 ILE N N 8.311 -2.286 2.801 1.00 . A A . 16 ILE N 1 1 4 1037 1 1 16 ILE O O 11.833 -2.116 2.363 1.00 . A A . 16 ILE O 1 1 4 1038 1 1 17 GLY C C 11.453 0.643 0.780 1.00 . A A . 17 GLY C 1 1 4 1039 1 1 17 GLY CA C 11.029 -0.652 0.097 1.00 . A A . 17 GLY CA 1 1 4 1040 1 1 17 GLY H H 9.228 -1.584 0.709 1.00 . A A . 17 GLY H 1 1 4 1041 1 1 17 GLY HA2 H 11.914 -1.211 -0.167 1.00 . A A . 17 GLY HA2 1 1 4 1042 1 1 17 GLY HA3 H 10.492 -0.407 -0.808 1.00 . A A . 17 GLY HA3 1 1 4 1043 1 1 17 GLY N N 10.177 -1.492 0.934 1.00 . A A . 17 GLY N 1 1 4 1044 1 1 17 GLY O O 12.593 1.088 0.615 1.00 . A A . 17 GLY O 1 1 4 1045 1 1 18 LEU C C 10.405 2.363 3.737 1.00 . A A . 18 LEU C 1 1 4 1046 1 1 18 LEU CA C 10.798 2.490 2.262 1.00 . A A . 18 LEU CA 1 1 4 1047 1 1 18 LEU CB C 10.045 3.656 1.597 1.00 . A A . 18 LEU CB 1 1 4 1048 1 1 18 LEU CD1 C 10.377 5.948 0.625 1.00 . A A . 18 LEU CD1 1 1 4 1049 1 1 18 LEU CD2 C 10.058 5.689 3.087 1.00 . A A . 18 LEU CD2 1 1 4 1050 1 1 18 LEU CG C 10.637 5.056 1.828 1.00 . A A . 18 LEU CG 1 1 4 1051 1 1 18 LEU H H 9.646 0.824 1.644 1.00 . A A . 18 LEU H 1 1 4 1052 1 1 18 LEU HA H 11.860 2.679 2.203 1.00 . A A . 18 LEU HA 1 1 4 1053 1 1 18 LEU HB2 H 10.017 3.474 0.533 1.00 . A A . 18 LEU HB2 1 1 4 1054 1 1 18 LEU HB3 H 9.031 3.657 1.969 1.00 . A A . 18 LEU HB3 1 1 4 1055 1 1 18 LEU HD11 H 10.781 6.932 0.811 1.00 . A A . 18 LEU HD11 1 1 4 1056 1 1 18 LEU HD12 H 9.312 6.023 0.455 1.00 . A A . 18 LEU HD12 1 1 4 1057 1 1 18 LEU HD13 H 10.851 5.524 -0.249 1.00 . A A . 18 LEU HD13 1 1 4 1058 1 1 18 LEU HD21 H 8.987 5.779 2.985 1.00 . A A . 18 LEU HD21 1 1 4 1059 1 1 18 LEU HD22 H 10.489 6.671 3.228 1.00 . A A . 18 LEU HD22 1 1 4 1060 1 1 18 LEU HD23 H 10.288 5.070 3.941 1.00 . A A . 18 LEU HD23 1 1 4 1061 1 1 18 LEU HG H 11.708 4.972 1.955 1.00 . A A . 18 LEU HG 1 1 4 1062 1 1 18 LEU N N 10.529 1.241 1.550 1.00 . A A . 18 LEU N 1 1 4 1063 1 1 18 LEU O O 9.208 2.132 4.017 1.00 . A A . 18 LEU O 1 1 4 1064 1 1 18 LEU OXT O 11.301 2.495 4.597 1.00 . A A . 18 LEU OXT 1 1 5 1065 1 1 1 LEU C C -3.912 6.737 10.020 1.00 . A A . 1 LEU C 1 1 5 1066 1 1 1 LEU CA C -4.422 8.027 10.660 1.00 . A A . 1 LEU CA 1 1 5 1067 1 1 1 LEU CB C -5.157 7.704 11.970 1.00 . A A . 1 LEU CB 1 1 5 1068 1 1 1 LEU CD1 C -6.747 8.621 13.680 1.00 . A A . 1 LEU CD1 1 1 5 1069 1 1 1 LEU CD2 C -4.337 9.270 13.763 1.00 . A A . 1 LEU CD2 1 1 5 1070 1 1 1 LEU CG C -5.505 8.910 12.852 1.00 . A A . 1 LEU CG 1 1 5 1071 1 1 1 LEU H1 H -4.802 9.036 8.872 1.00 . A A . 1 LEU H1 1 1 5 1072 1 1 1 LEU H2 H -5.667 9.637 10.194 1.00 . A A . 1 LEU H2 1 1 5 1073 1 1 1 LEU H3 H -6.133 8.180 9.473 1.00 . A A . 1 LEU H3 1 1 5 1074 1 1 1 LEU HA H -3.574 8.657 10.883 1.00 . A A . 1 LEU HA 1 1 5 1075 1 1 1 LEU HB2 H -6.075 7.190 11.723 1.00 . A A . 1 LEU HB2 1 1 5 1076 1 1 1 LEU HB3 H -4.536 7.034 12.547 1.00 . A A . 1 LEU HB3 1 1 5 1077 1 1 1 LEU HD11 H -6.973 9.476 14.300 1.00 . A A . 1 LEU HD11 1 1 5 1078 1 1 1 LEU HD12 H -6.569 7.759 14.306 1.00 . A A . 1 LEU HD12 1 1 5 1079 1 1 1 LEU HD13 H -7.581 8.423 13.022 1.00 . A A . 1 LEU HD13 1 1 5 1080 1 1 1 LEU HD21 H -4.607 10.117 14.377 1.00 . A A . 1 LEU HD21 1 1 5 1081 1 1 1 LEU HD22 H -3.475 9.521 13.163 1.00 . A A . 1 LEU HD22 1 1 5 1082 1 1 1 LEU HD23 H -4.101 8.427 14.396 1.00 . A A . 1 LEU HD23 1 1 5 1083 1 1 1 LEU HG H -5.714 9.762 12.221 1.00 . A A . 1 LEU HG 1 1 5 1084 1 1 1 LEU N N -5.319 8.772 9.735 1.00 . A A . 1 LEU N 1 1 5 1085 1 1 1 LEU O O -2.743 6.376 10.190 1.00 . A A . 1 LEU O 1 1 5 1086 1 1 2 VAL C C -4.028 5.029 7.155 1.00 . A A . 2 VAL C 1 1 5 1087 1 1 2 VAL CA C -4.445 4.792 8.611 1.00 . A A . 2 VAL CA 1 1 5 1088 1 1 2 VAL CB C -5.593 3.740 8.674 1.00 . A A . 2 VAL CB 1 1 5 1089 1 1 2 VAL CG1 C -5.624 3.073 10.041 1.00 . A A . 2 VAL CG1 1 1 5 1090 1 1 2 VAL CG2 C -6.963 4.347 8.352 1.00 . A A . 2 VAL CG2 1 1 5 1091 1 1 2 VAL H H -5.707 6.397 9.191 1.00 . A A . 2 VAL H 1 1 5 1092 1 1 2 VAL HA H -3.595 4.380 9.137 1.00 . A A . 2 VAL HA 1 1 5 1093 1 1 2 VAL HB H -5.383 2.975 7.939 1.00 . A A . 2 VAL HB 1 1 5 1094 1 1 2 VAL HG11 H -4.682 2.579 10.222 1.00 . A A . 2 VAL HG11 1 1 5 1095 1 1 2 VAL HG12 H -6.423 2.347 10.069 1.00 . A A . 2 VAL HG12 1 1 5 1096 1 1 2 VAL HG13 H -5.790 3.821 10.802 1.00 . A A . 2 VAL HG13 1 1 5 1097 1 1 2 VAL HG21 H -7.715 3.572 8.379 1.00 . A A . 2 VAL HG21 1 1 5 1098 1 1 2 VAL HG22 H -6.938 4.793 7.369 1.00 . A A . 2 VAL HG22 1 1 5 1099 1 1 2 VAL HG23 H -7.202 5.105 9.084 1.00 . A A . 2 VAL HG23 1 1 5 1100 1 1 2 VAL N N -4.796 6.049 9.284 1.00 . A A . 2 VAL N 1 1 5 1101 1 1 2 VAL O O -2.970 4.559 6.726 1.00 . A A . 2 VAL O 1 1 5 1102 1 1 3 PHE C C -4.372 4.841 4.104 1.00 . A A . 3 PHE C 1 1 5 1103 1 1 3 PHE CA C -4.623 6.100 4.972 1.00 . A A . 3 PHE CA 1 1 5 1104 1 1 3 PHE CB C -3.442 7.087 4.847 1.00 . A A . 3 PHE CB 1 1 5 1105 1 1 3 PHE CD1 C -4.286 9.438 4.587 1.00 . A A . 3 PHE CD1 1 1 5 1106 1 1 3 PHE CD2 C -3.454 8.763 6.717 1.00 . A A . 3 PHE CD2 1 1 5 1107 1 1 3 PHE CE1 C -4.554 10.698 5.087 1.00 . A A . 3 PHE CE1 1 1 5 1108 1 1 3 PHE CE2 C -3.720 10.021 7.224 1.00 . A A . 3 PHE CE2 1 1 5 1109 1 1 3 PHE CG C -3.733 8.457 5.394 1.00 . A A . 3 PHE CG 1 1 5 1110 1 1 3 PHE CZ C -4.271 10.990 6.408 1.00 . A A . 3 PHE CZ 1 1 5 1111 1 1 3 PHE H H -5.697 6.098 6.813 1.00 . A A . 3 PHE H 1 1 5 1112 1 1 3 PHE HA H -5.511 6.595 4.597 1.00 . A A . 3 PHE HA 1 1 5 1113 1 1 3 PHE HB2 H -2.593 6.690 5.383 1.00 . A A . 3 PHE HB2 1 1 5 1114 1 1 3 PHE HB3 H -3.182 7.193 3.803 1.00 . A A . 3 PHE HB3 1 1 5 1115 1 1 3 PHE HD1 H -4.508 9.212 3.554 1.00 . A A . 3 PHE HD1 1 1 5 1116 1 1 3 PHE HD2 H -3.022 8.006 7.356 1.00 . A A . 3 PHE HD2 1 1 5 1117 1 1 3 PHE HE1 H -4.986 11.454 4.448 1.00 . A A . 3 PHE HE1 1 1 5 1118 1 1 3 PHE HE2 H -3.498 10.246 8.257 1.00 . A A . 3 PHE HE2 1 1 5 1119 1 1 3 PHE HZ H -4.480 11.974 6.802 1.00 . A A . 3 PHE HZ 1 1 5 1120 1 1 3 PHE N N -4.873 5.766 6.398 1.00 . A A . 3 PHE N 1 1 5 1121 1 1 3 PHE O O -3.644 4.901 3.103 1.00 . A A . 3 PHE O 1 1 5 1122 1 1 4 PHE C C -5.240 2.546 2.269 1.00 . A A . 4 PHE C 1 1 5 1123 1 1 4 PHE CA C -4.849 2.429 3.755 1.00 . A A . 4 PHE CA 1 1 5 1124 1 1 4 PHE CB C -5.660 1.308 4.445 1.00 . A A . 4 PHE CB 1 1 5 1125 1 1 4 PHE CD1 C -7.671 2.307 5.587 1.00 . A A . 4 PHE CD1 1 1 5 1126 1 1 4 PHE CD2 C -8.014 1.044 3.594 1.00 . A A . 4 PHE CD2 1 1 5 1127 1 1 4 PHE CE1 C -9.030 2.537 5.680 1.00 . A A . 4 PHE CE1 1 1 5 1128 1 1 4 PHE CE2 C -9.374 1.270 3.682 1.00 . A A . 4 PHE CE2 1 1 5 1129 1 1 4 PHE CG C -7.148 1.560 4.545 1.00 . A A . 4 PHE CG 1 1 5 1130 1 1 4 PHE CZ C -9.883 2.018 4.725 1.00 . A A . 4 PHE CZ 1 1 5 1131 1 1 4 PHE H H -5.570 3.720 5.282 1.00 . A A . 4 PHE H 1 1 5 1132 1 1 4 PHE HA H -3.803 2.162 3.802 1.00 . A A . 4 PHE HA 1 1 5 1133 1 1 4 PHE HB2 H -5.522 0.391 3.893 1.00 . A A . 4 PHE HB2 1 1 5 1134 1 1 4 PHE HB3 H -5.279 1.172 5.447 1.00 . A A . 4 PHE HB3 1 1 5 1135 1 1 4 PHE HD1 H -7.005 2.713 6.332 1.00 . A A . 4 PHE HD1 1 1 5 1136 1 1 4 PHE HD2 H -7.617 0.460 2.777 1.00 . A A . 4 PHE HD2 1 1 5 1137 1 1 4 PHE HE1 H -9.424 3.122 6.497 1.00 . A A . 4 PHE HE1 1 1 5 1138 1 1 4 PHE HE2 H -10.039 0.863 2.933 1.00 . A A . 4 PHE HE2 1 1 5 1139 1 1 4 PHE HZ H -10.946 2.195 4.796 1.00 . A A . 4 PHE HZ 1 1 5 1140 1 1 4 PHE N N -5.001 3.704 4.483 1.00 . A A . 4 PHE N 1 1 5 1141 1 1 4 PHE O O -4.497 2.091 1.393 1.00 . A A . 4 PHE O 1 1 5 1142 1 1 5 ALA C C -5.908 4.077 -0.293 1.00 . A A . 5 ALA C 1 1 5 1143 1 1 5 ALA CA C -6.916 3.388 0.638 1.00 . A A . 5 ALA CA 1 1 5 1144 1 1 5 ALA CB C -8.211 4.186 0.686 1.00 . A A . 5 ALA CB 1 1 5 1145 1 1 5 ALA H H -6.905 3.558 2.757 1.00 . A A . 5 ALA H 1 1 5 1146 1 1 5 ALA HA H -7.145 2.412 0.234 1.00 . A A . 5 ALA HA 1 1 5 1147 1 1 5 ALA HB1 H -8.008 5.180 1.057 1.00 . A A . 5 ALA HB1 1 1 5 1148 1 1 5 ALA HB2 H -8.914 3.693 1.340 1.00 . A A . 5 ALA HB2 1 1 5 1149 1 1 5 ALA HB3 H -8.629 4.253 -0.308 1.00 . A A . 5 ALA HB3 1 1 5 1150 1 1 5 ALA N N -6.391 3.196 2.005 1.00 . A A . 5 ALA N 1 1 5 1151 1 1 5 ALA O O -5.930 3.862 -1.508 1.00 . A A . 5 ALA O 1 1 5 1152 1 1 6 GLU C C -2.663 4.874 -0.331 1.00 . A A . 6 GLU C 1 1 5 1153 1 1 6 GLU CA C -4.002 5.612 -0.454 1.00 . A A . 6 GLU CA 1 1 5 1154 1 1 6 GLU CB C -3.868 7.055 0.063 1.00 . A A . 6 GLU CB 1 1 5 1155 1 1 6 GLU CD C -4.486 8.524 -1.915 1.00 . A A . 6 GLU CD 1 1 5 1156 1 1 6 GLU CG C -3.381 8.055 -0.984 1.00 . A A . 6 GLU CG 1 1 5 1157 1 1 6 GLU H H -5.094 5.036 1.263 1.00 . A A . 6 GLU H 1 1 5 1158 1 1 6 GLU HA H -4.297 5.632 -1.492 1.00 . A A . 6 GLU HA 1 1 5 1159 1 1 6 GLU HB2 H -4.833 7.385 0.419 1.00 . A A . 6 GLU HB2 1 1 5 1160 1 1 6 GLU HB3 H -3.171 7.063 0.887 1.00 . A A . 6 GLU HB3 1 1 5 1161 1 1 6 GLU HG2 H -2.972 8.916 -0.477 1.00 . A A . 6 GLU HG2 1 1 5 1162 1 1 6 GLU HG3 H -2.607 7.587 -1.575 1.00 . A A . 6 GLU HG3 1 1 5 1163 1 1 6 GLU N N -5.037 4.902 0.295 1.00 . A A . 6 GLU N 1 1 5 1164 1 1 6 GLU O O -1.908 4.782 -1.303 1.00 . A A . 6 GLU O 1 1 5 1165 1 1 6 GLU OE1 O -4.696 7.875 -2.962 1.00 . A A . 6 GLU OE1 1 1 5 1166 1 1 6 GLU OE2 O -5.140 9.539 -1.597 1.00 . A A . 6 GLU OE2 1 1 5 1167 1 1 7 ASP C C -1.091 2.233 0.491 1.00 . A A . 7 ASP C 1 1 5 1168 1 1 7 ASP CA C -1.145 3.615 1.164 1.00 . A A . 7 ASP CA 1 1 5 1169 1 1 7 ASP CB C -0.956 3.461 2.673 1.00 . A A . 7 ASP CB 1 1 5 1170 1 1 7 ASP CG C -0.409 4.718 3.318 1.00 . A A . 7 ASP CG 1 1 5 1171 1 1 7 ASP H H -3.037 4.473 1.600 1.00 . A A . 7 ASP H 1 1 5 1172 1 1 7 ASP HA H -0.327 4.207 0.780 1.00 . A A . 7 ASP HA 1 1 5 1173 1 1 7 ASP HB2 H -1.908 3.232 3.127 1.00 . A A . 7 ASP HB2 1 1 5 1174 1 1 7 ASP HB3 H -0.268 2.651 2.863 1.00 . A A . 7 ASP HB3 1 1 5 1175 1 1 7 ASP N N -2.385 4.354 0.878 1.00 . A A . 7 ASP N 1 1 5 1176 1 1 7 ASP O O -0.003 1.675 0.331 1.00 . A A . 7 ASP O 1 1 5 1177 1 1 7 ASP OD1 O -1.140 5.729 3.362 1.00 . A A . 7 ASP OD1 1 1 5 1178 1 1 7 ASP OD2 O 0.750 4.693 3.779 1.00 . A A . 7 ASP OD2 1 1 5 1179 1 1 8 VAL C C -1.466 0.264 -1.823 1.00 . A A . 8 VAL C 1 1 5 1180 1 1 8 VAL CA C -2.337 0.352 -0.557 1.00 . A A . 8 VAL CA 1 1 5 1181 1 1 8 VAL CB C -3.792 -0.071 -0.918 1.00 . A A . 8 VAL CB 1 1 5 1182 1 1 8 VAL CG1 C -4.486 -0.677 0.292 1.00 . A A . 8 VAL CG1 1 1 5 1183 1 1 8 VAL CG2 C -4.618 1.087 -1.485 1.00 . A A . 8 VAL CG2 1 1 5 1184 1 1 8 VAL H H -3.099 2.170 0.279 1.00 . A A . 8 VAL H 1 1 5 1185 1 1 8 VAL HA H -1.959 -0.369 0.154 1.00 . A A . 8 VAL HA 1 1 5 1186 1 1 8 VAL HB H -3.732 -0.839 -1.677 1.00 . A A . 8 VAL HB 1 1 5 1187 1 1 8 VAL HG11 H -4.515 0.049 1.091 1.00 . A A . 8 VAL HG11 1 1 5 1188 1 1 8 VAL HG12 H -3.944 -1.551 0.619 1.00 . A A . 8 VAL HG12 1 1 5 1189 1 1 8 VAL HG13 H -5.494 -0.957 0.025 1.00 . A A . 8 VAL HG13 1 1 5 1190 1 1 8 VAL HG21 H -5.614 0.741 -1.715 1.00 . A A . 8 VAL HG21 1 1 5 1191 1 1 8 VAL HG22 H -4.148 1.458 -2.383 1.00 . A A . 8 VAL HG22 1 1 5 1192 1 1 8 VAL HG23 H -4.672 1.882 -0.754 1.00 . A A . 8 VAL HG23 1 1 5 1193 1 1 8 VAL N N -2.264 1.682 0.105 1.00 . A A . 8 VAL N 1 1 5 1194 1 1 8 VAL O O -0.950 -0.810 -2.149 1.00 . A A . 8 VAL O 1 1 5 1195 1 1 9 GLY C C 0.999 1.322 -3.487 1.00 . A A . 9 GLY C 1 1 5 1196 1 1 9 GLY CA C -0.503 1.453 -3.742 1.00 . A A . 9 GLY CA 1 1 5 1197 1 1 9 GLY H H -1.758 2.213 -2.206 1.00 . A A . 9 GLY H 1 1 5 1198 1 1 9 GLY HA2 H -0.811 0.652 -4.397 1.00 . A A . 9 GLY HA2 1 1 5 1199 1 1 9 GLY HA3 H -0.688 2.395 -4.237 1.00 . A A . 9 GLY HA3 1 1 5 1200 1 1 9 GLY N N -1.313 1.400 -2.522 1.00 . A A . 9 GLY N 1 1 5 1201 1 1 9 GLY O O 1.763 1.042 -4.416 1.00 . A A . 9 GLY O 1 1 5 1202 1 1 10 SER C C 3.020 0.346 -0.773 1.00 . A A . 10 SER C 1 1 5 1203 1 1 10 SER CA C 2.817 1.434 -1.838 1.00 . A A . 10 SER CA 1 1 5 1204 1 1 10 SER CB C 3.299 2.800 -1.325 1.00 . A A . 10 SER CB 1 1 5 1205 1 1 10 SER H H 0.743 1.740 -1.544 1.00 . A A . 10 SER H 1 1 5 1206 1 1 10 SER HA H 3.383 1.171 -2.720 1.00 . A A . 10 SER HA 1 1 5 1207 1 1 10 SER HB2 H 2.689 3.100 -0.486 1.00 . A A . 10 SER HB2 1 1 5 1208 1 1 10 SER HB3 H 4.328 2.728 -1.011 1.00 . A A . 10 SER HB3 1 1 5 1209 1 1 10 SER HG H 4.039 4.243 -2.425 1.00 . A A . 10 SER HG 1 1 5 1210 1 1 10 SER N N 1.410 1.524 -2.229 1.00 . A A . 10 SER N 1 1 5 1211 1 1 10 SER O O 3.828 -0.580 -0.960 1.00 . A A . 10 SER O 1 1 5 1212 1 1 10 SER OG O 3.197 3.788 -2.335 1.00 . A A . 10 SER OG 1 1 5 1213 1 1 11 ASN C C 3.713 -0.919 1.902 1.00 . A A . 11 ASN C 1 1 5 1214 1 1 11 ASN CA C 2.299 -0.464 1.498 1.00 . A A . 11 ASN CA 1 1 5 1215 1 1 11 ASN CB C 1.396 -1.676 1.201 1.00 . A A . 11 ASN CB 1 1 5 1216 1 1 11 ASN CG C 0.134 -1.676 2.041 1.00 . A A . 11 ASN CG 1 1 5 1217 1 1 11 ASN H H 1.675 1.253 0.410 1.00 . A A . 11 ASN H 1 1 5 1218 1 1 11 ASN HA H 1.885 0.065 2.336 1.00 . A A . 11 ASN HA 1 1 5 1219 1 1 11 ASN HB2 H 1.112 -1.661 0.159 1.00 . A A . 11 ASN HB2 1 1 5 1220 1 1 11 ASN HB3 H 1.943 -2.585 1.407 1.00 . A A . 11 ASN HB3 1 1 5 1221 1 1 11 ASN HD21 H 1.051 -2.724 3.461 1.00 . A A . 11 ASN HD21 1 1 5 1222 1 1 11 ASN HD22 H -0.598 -2.318 3.775 1.00 . A A . 11 ASN HD22 1 1 5 1223 1 1 11 ASN N N 2.276 0.479 0.351 1.00 . A A . 11 ASN N 1 1 5 1224 1 1 11 ASN ND2 N 0.202 -2.303 3.211 1.00 . A A . 11 ASN ND2 1 1 5 1225 1 1 11 ASN O O 4.711 -0.321 1.481 1.00 . A A . 11 ASN O 1 1 5 1226 1 1 11 ASN OD1 O -0.889 -1.119 1.646 1.00 . A A . 11 ASN OD1 1 1 5 1227 1 1 12 LYS C C 6.011 -2.829 2.065 1.00 . A A . 12 LYS C 1 1 5 1228 1 1 12 LYS CA C 5.054 -2.538 3.225 1.00 . A A . 12 LYS CA 1 1 5 1229 1 1 12 LYS CB C 4.799 -3.827 4.025 1.00 . A A . 12 LYS CB 1 1 5 1230 1 1 12 LYS CD C 5.198 -3.313 6.471 1.00 . A A . 12 LYS CD 1 1 5 1231 1 1 12 LYS CE C 4.554 -3.073 7.830 1.00 . A A . 12 LYS CE 1 1 5 1232 1 1 12 LYS CG C 4.158 -3.601 5.394 1.00 . A A . 12 LYS CG 1 1 5 1233 1 1 12 LYS H H 2.945 -2.382 3.050 1.00 . A A . 12 LYS H 1 1 5 1234 1 1 12 LYS HA H 5.509 -1.810 3.880 1.00 . A A . 12 LYS HA 1 1 5 1235 1 1 12 LYS HB2 H 4.147 -4.467 3.448 1.00 . A A . 12 LYS HB2 1 1 5 1236 1 1 12 LYS HB3 H 5.741 -4.334 4.175 1.00 . A A . 12 LYS HB3 1 1 5 1237 1 1 12 LYS HD2 H 5.867 -4.157 6.547 1.00 . A A . 12 LYS HD2 1 1 5 1238 1 1 12 LYS HD3 H 5.759 -2.433 6.188 1.00 . A A . 12 LYS HD3 1 1 5 1239 1 1 12 LYS HE2 H 5.291 -2.641 8.491 1.00 . A A . 12 LYS HE2 1 1 5 1240 1 1 12 LYS HE3 H 3.734 -2.380 7.707 1.00 . A A . 12 LYS HE3 1 1 5 1241 1 1 12 LYS HG2 H 3.484 -2.760 5.329 1.00 . A A . 12 LYS HG2 1 1 5 1242 1 1 12 LYS HG3 H 3.603 -4.486 5.671 1.00 . A A . 12 LYS HG3 1 1 5 1243 1 1 12 LYS HZ1 H 3.315 -4.756 7.823 1.00 . A A . 12 LYS HZ1 1 1 5 1244 1 1 12 LYS HZ2 H 3.613 -4.133 9.366 1.00 . A A . 12 LYS HZ2 1 1 5 1245 1 1 12 LYS HZ3 H 4.815 -5.012 8.565 1.00 . A A . 12 LYS HZ3 1 1 5 1246 1 1 12 LYS N N 3.782 -1.973 2.745 1.00 . A A . 12 LYS N 1 1 5 1247 1 1 12 LYS NZ N 4.038 -4.332 8.439 1.00 . A A . 12 LYS NZ 1 1 5 1248 1 1 12 LYS O O 7.211 -2.554 2.161 1.00 . A A . 12 LYS O 1 1 5 1249 1 1 13 GLY C C 7.036 -2.505 -0.774 1.00 . A A . 13 GLY C 1 1 5 1250 1 1 13 GLY CA C 6.210 -3.670 -0.250 1.00 . A A . 13 GLY CA 1 1 5 1251 1 1 13 GLY H H 4.473 -3.493 0.951 1.00 . A A . 13 GLY H 1 1 5 1252 1 1 13 GLY HA2 H 6.875 -4.488 -0.021 1.00 . A A . 13 GLY HA2 1 1 5 1253 1 1 13 GLY HA3 H 5.525 -3.986 -1.023 1.00 . A A . 13 GLY HA3 1 1 5 1254 1 1 13 GLY N N 5.440 -3.339 0.952 1.00 . A A . 13 GLY N 1 1 5 1255 1 1 13 GLY O O 8.215 -2.679 -1.097 1.00 . A A . 13 GLY O 1 1 5 1256 1 1 14 ALA C C 7.810 0.595 -0.153 1.00 . A A . 14 ALA C 1 1 5 1257 1 1 14 ALA CA C 7.122 -0.118 -1.321 1.00 . A A . 14 ALA CA 1 1 5 1258 1 1 14 ALA CB C 6.177 0.826 -2.036 1.00 . A A . 14 ALA CB 1 1 5 1259 1 1 14 ALA H H 5.464 -1.248 -0.618 1.00 . A A . 14 ALA H 1 1 5 1260 1 1 14 ALA HA H 7.878 -0.434 -2.027 1.00 . A A . 14 ALA HA 1 1 5 1261 1 1 14 ALA HB1 H 6.616 1.812 -2.084 1.00 . A A . 14 ALA HB1 1 1 5 1262 1 1 14 ALA HB2 H 5.246 0.868 -1.496 1.00 . A A . 14 ALA HB2 1 1 5 1263 1 1 14 ALA HB3 H 5.995 0.465 -3.039 1.00 . A A . 14 ALA HB3 1 1 5 1264 1 1 14 ALA N N 6.416 -1.316 -0.860 1.00 . A A . 14 ALA N 1 1 5 1265 1 1 14 ALA O O 8.922 1.118 -0.313 1.00 . A A . 14 ALA O 1 1 5 1266 1 1 15 ILE C C 9.008 0.534 2.692 1.00 . A A . 15 ILE C 1 1 5 1267 1 1 15 ILE CA C 7.713 1.245 2.233 1.00 . A A . 15 ILE CA 1 1 5 1268 1 1 15 ILE CB C 6.672 1.323 3.402 1.00 . A A . 15 ILE CB 1 1 5 1269 1 1 15 ILE CD1 C 4.179 1.887 3.733 1.00 . A A . 15 ILE CD1 1 1 5 1270 1 1 15 ILE CG1 C 5.466 2.189 2.982 1.00 . A A . 15 ILE CG1 1 1 5 1271 1 1 15 ILE CG2 C 7.303 1.894 4.681 1.00 . A A . 15 ILE CG2 1 1 5 1272 1 1 15 ILE H H 6.260 0.180 1.084 1.00 . A A . 15 ILE H 1 1 5 1273 1 1 15 ILE HA H 7.972 2.259 1.957 1.00 . A A . 15 ILE HA 1 1 5 1274 1 1 15 ILE HB H 6.329 0.323 3.615 1.00 . A A . 15 ILE HB 1 1 5 1275 1 1 15 ILE HD11 H 3.901 0.855 3.571 1.00 . A A . 15 ILE HD11 1 1 5 1276 1 1 15 ILE HD12 H 3.391 2.532 3.374 1.00 . A A . 15 ILE HD12 1 1 5 1277 1 1 15 ILE HD13 H 4.330 2.056 4.789 1.00 . A A . 15 ILE HD13 1 1 5 1278 1 1 15 ILE HG12 H 5.705 3.228 3.152 1.00 . A A . 15 ILE HG12 1 1 5 1279 1 1 15 ILE HG13 H 5.277 2.040 1.929 1.00 . A A . 15 ILE HG13 1 1 5 1280 1 1 15 ILE HG21 H 7.672 2.891 4.487 1.00 . A A . 15 ILE HG21 1 1 5 1281 1 1 15 ILE HG22 H 8.121 1.262 4.992 1.00 . A A . 15 ILE HG22 1 1 5 1282 1 1 15 ILE HG23 H 6.560 1.931 5.464 1.00 . A A . 15 ILE HG23 1 1 5 1283 1 1 15 ILE N N 7.150 0.604 1.028 1.00 . A A . 15 ILE N 1 1 5 1284 1 1 15 ILE O O 9.879 1.170 3.295 1.00 . A A . 15 ILE O 1 1 5 1285 1 1 16 ILE C C 11.482 -1.251 1.750 1.00 . A A . 16 ILE C 1 1 5 1286 1 1 16 ILE CA C 10.348 -1.531 2.762 1.00 . A A . 16 ILE CA 1 1 5 1287 1 1 16 ILE CB C 10.062 -3.072 2.917 1.00 . A A . 16 ILE CB 1 1 5 1288 1 1 16 ILE CD1 C 11.020 -3.727 5.203 1.00 . A A . 16 ILE CD1 1 1 5 1289 1 1 16 ILE CG1 C 11.189 -3.776 3.696 1.00 . A A . 16 ILE CG1 1 1 5 1290 1 1 16 ILE CG2 C 9.833 -3.777 1.576 1.00 . A A . 16 ILE CG2 1 1 5 1291 1 1 16 ILE H H 8.411 -1.239 1.922 1.00 . A A . 16 ILE H 1 1 5 1292 1 1 16 ILE HA H 10.667 -1.157 3.727 1.00 . A A . 16 ILE HA 1 1 5 1293 1 1 16 ILE HB H 9.149 -3.171 3.486 1.00 . A A . 16 ILE HB 1 1 5 1294 1 1 16 ILE HD11 H 11.007 -2.698 5.531 1.00 . A A . 16 ILE HD11 1 1 5 1295 1 1 16 ILE HD12 H 11.843 -4.245 5.674 1.00 . A A . 16 ILE HD12 1 1 5 1296 1 1 16 ILE HD13 H 10.090 -4.203 5.476 1.00 . A A . 16 ILE HD13 1 1 5 1297 1 1 16 ILE HG12 H 11.226 -4.814 3.403 1.00 . A A . 16 ILE HG12 1 1 5 1298 1 1 16 ILE HG13 H 12.130 -3.305 3.452 1.00 . A A . 16 ILE HG13 1 1 5 1299 1 1 16 ILE HG21 H 9.647 -4.828 1.748 1.00 . A A . 16 ILE HG21 1 1 5 1300 1 1 16 ILE HG22 H 10.708 -3.663 0.956 1.00 . A A . 16 ILE HG22 1 1 5 1301 1 1 16 ILE HG23 H 8.980 -3.338 1.079 1.00 . A A . 16 ILE HG23 1 1 5 1302 1 1 16 ILE N N 9.139 -0.777 2.393 1.00 . A A . 16 ILE N 1 1 5 1303 1 1 16 ILE O O 12.640 -1.067 2.139 1.00 . A A . 16 ILE O 1 1 5 1304 1 1 17 GLY C C 12.523 0.509 -0.649 1.00 . A A . 17 GLY C 1 1 5 1305 1 1 17 GLY CA C 12.073 -0.945 -0.617 1.00 . A A . 17 GLY CA 1 1 5 1306 1 1 17 GLY H H 10.182 -1.397 0.226 1.00 . A A . 17 GLY H 1 1 5 1307 1 1 17 GLY HA2 H 12.941 -1.573 -0.482 1.00 . A A . 17 GLY HA2 1 1 5 1308 1 1 17 GLY HA3 H 11.613 -1.187 -1.564 1.00 . A A . 17 GLY HA3 1 1 5 1309 1 1 17 GLY N N 11.120 -1.224 0.455 1.00 . A A . 17 GLY N 1 1 5 1310 1 1 17 GLY O O 13.714 0.791 -0.809 1.00 . A A . 17 GLY O 1 1 5 1311 1 1 18 LEU C C 11.219 3.537 0.725 1.00 . A A . 18 LEU C 1 1 5 1312 1 1 18 LEU CA C 11.835 2.862 -0.503 1.00 . A A . 18 LEU CA 1 1 5 1313 1 1 18 LEU CB C 11.299 3.499 -1.798 1.00 . A A . 18 LEU CB 1 1 5 1314 1 1 18 LEU CD1 C 13.220 4.567 -3.036 1.00 . A A . 18 LEU CD1 1 1 5 1315 1 1 18 LEU CD2 C 10.979 5.681 -2.999 1.00 . A A . 18 LEU CD2 1 1 5 1316 1 1 18 LEU CG C 11.961 4.821 -2.216 1.00 . A A . 18 LEU CG 1 1 5 1317 1 1 18 LEU H H 10.634 1.124 -0.366 1.00 . A A . 18 LEU H 1 1 5 1318 1 1 18 LEU HA H 12.907 2.990 -0.467 1.00 . A A . 18 LEU HA 1 1 5 1319 1 1 18 LEU HB2 H 11.430 2.789 -2.601 1.00 . A A . 18 LEU HB2 1 1 5 1320 1 1 18 LEU HB3 H 10.241 3.677 -1.671 1.00 . A A . 18 LEU HB3 1 1 5 1321 1 1 18 LEU HD11 H 13.923 3.997 -2.448 1.00 . A A . 18 LEU HD11 1 1 5 1322 1 1 18 LEU HD12 H 13.664 5.511 -3.316 1.00 . A A . 18 LEU HD12 1 1 5 1323 1 1 18 LEU HD13 H 12.962 4.013 -3.928 1.00 . A A . 18 LEU HD13 1 1 5 1324 1 1 18 LEU HD21 H 11.464 6.598 -3.299 1.00 . A A . 18 LEU HD21 1 1 5 1325 1 1 18 LEU HD22 H 10.125 5.911 -2.378 1.00 . A A . 18 LEU HD22 1 1 5 1326 1 1 18 LEU HD23 H 10.651 5.144 -3.877 1.00 . A A . 18 LEU HD23 1 1 5 1327 1 1 18 LEU HG H 12.247 5.366 -1.329 1.00 . A A . 18 LEU HG 1 1 5 1328 1 1 18 LEU N N 11.558 1.426 -0.493 1.00 . A A . 18 LEU N 1 1 5 1329 1 1 18 LEU O O 9.980 3.472 0.883 1.00 . A A . 18 LEU O 1 1 5 1330 1 1 18 LEU OXT O 11.984 4.125 1.519 1.00 . A A . 18 LEU OXT 1 1 6 1331 1 1 1 LEU C C -2.477 8.336 -7.243 1.00 . A A . 1 LEU C 1 1 6 1332 1 1 1 LEU CA C -2.545 7.662 -8.616 1.00 . A A . 1 LEU CA 1 1 6 1333 1 1 1 LEU CB C -2.965 6.192 -8.456 1.00 . A A . 1 LEU CB 1 1 6 1334 1 1 1 LEU CD1 C -2.980 3.948 -9.579 1.00 . A A . 1 LEU CD1 1 1 6 1335 1 1 1 LEU CD2 C -4.681 5.659 -10.225 1.00 . A A . 1 LEU CD2 1 1 6 1336 1 1 1 LEU CG C -3.246 5.433 -9.762 1.00 . A A . 1 LEU CG 1 1 6 1337 1 1 1 LEU H1 H -1.307 7.301 -10.259 1.00 . A A . 1 LEU H1 1 1 6 1338 1 1 1 LEU H2 H -0.498 7.278 -8.773 1.00 . A A . 1 LEU H2 1 1 6 1339 1 1 1 LEU H3 H -0.973 8.751 -9.454 1.00 . A A . 1 LEU H3 1 1 6 1340 1 1 1 LEU HA H -3.287 8.174 -9.212 1.00 . A A . 1 LEU HA 1 1 6 1341 1 1 1 LEU HB2 H -2.178 5.673 -7.928 1.00 . A A . 1 LEU HB2 1 1 6 1342 1 1 1 LEU HB3 H -3.859 6.160 -7.852 1.00 . A A . 1 LEU HB3 1 1 6 1343 1 1 1 LEU HD11 H -3.193 3.428 -10.502 1.00 . A A . 1 LEU HD11 1 1 6 1344 1 1 1 LEU HD12 H -3.614 3.563 -8.795 1.00 . A A . 1 LEU HD12 1 1 6 1345 1 1 1 LEU HD13 H -1.945 3.797 -9.312 1.00 . A A . 1 LEU HD13 1 1 6 1346 1 1 1 LEU HD21 H -5.364 5.308 -9.464 1.00 . A A . 1 LEU HD21 1 1 6 1347 1 1 1 LEU HD22 H -4.853 5.115 -11.141 1.00 . A A . 1 LEU HD22 1 1 6 1348 1 1 1 LEU HD23 H -4.843 6.713 -10.395 1.00 . A A . 1 LEU HD23 1 1 6 1349 1 1 1 LEU HG H -2.583 5.799 -10.533 1.00 . A A . 1 LEU HG 1 1 6 1350 1 1 1 LEU N N -1.240 7.755 -9.325 1.00 . A A . 1 LEU N 1 1 6 1351 1 1 1 LEU O O -3.414 9.029 -6.842 1.00 . A A . 1 LEU O 1 1 6 1352 1 1 2 VAL C C -2.240 8.310 -4.199 1.00 . A A . 2 VAL C 1 1 6 1353 1 1 2 VAL CA C -1.100 8.698 -5.180 1.00 . A A . 2 VAL CA 1 1 6 1354 1 1 2 VAL CB C -0.884 10.260 -5.206 1.00 . A A . 2 VAL CB 1 1 6 1355 1 1 2 VAL CG1 C 0.006 10.706 -4.047 1.00 . A A . 2 VAL CG1 1 1 6 1356 1 1 2 VAL CG2 C -0.274 10.737 -6.524 1.00 . A A . 2 VAL CG2 1 1 6 1357 1 1 2 VAL H H -0.649 7.563 -6.925 1.00 . A A . 2 VAL H 1 1 6 1358 1 1 2 VAL HA H -0.185 8.247 -4.815 1.00 . A A . 2 VAL HA 1 1 6 1359 1 1 2 VAL HB H -1.848 10.735 -5.089 1.00 . A A . 2 VAL HB 1 1 6 1360 1 1 2 VAL HG11 H 0.062 11.784 -4.031 1.00 . A A . 2 VAL HG11 1 1 6 1361 1 1 2 VAL HG12 H 0.997 10.297 -4.177 1.00 . A A . 2 VAL HG12 1 1 6 1362 1 1 2 VAL HG13 H -0.410 10.353 -3.115 1.00 . A A . 2 VAL HG13 1 1 6 1363 1 1 2 VAL HG21 H 0.682 10.257 -6.673 1.00 . A A . 2 VAL HG21 1 1 6 1364 1 1 2 VAL HG22 H -0.140 11.807 -6.492 1.00 . A A . 2 VAL HG22 1 1 6 1365 1 1 2 VAL HG23 H -0.936 10.481 -7.340 1.00 . A A . 2 VAL HG23 1 1 6 1366 1 1 2 VAL N N -1.347 8.125 -6.530 1.00 . A A . 2 VAL N 1 1 6 1367 1 1 2 VAL O O -2.784 7.215 -4.303 1.00 . A A . 2 VAL O 1 1 6 1368 1 1 3 PHE C C -3.376 7.761 -1.330 1.00 . A A . 3 PHE C 1 1 6 1369 1 1 3 PHE CA C -3.646 8.999 -2.228 1.00 . A A . 3 PHE CA 1 1 6 1370 1 1 3 PHE CB C -5.040 8.898 -2.876 1.00 . A A . 3 PHE CB 1 1 6 1371 1 1 3 PHE CD1 C -6.243 11.099 -2.736 1.00 . A A . 3 PHE CD1 1 1 6 1372 1 1 3 PHE CD2 C -5.235 10.487 -4.811 1.00 . A A . 3 PHE CD2 1 1 6 1373 1 1 3 PHE CE1 C -6.681 12.285 -3.295 1.00 . A A . 3 PHE CE1 1 1 6 1374 1 1 3 PHE CE2 C -5.671 11.673 -5.374 1.00 . A A . 3 PHE CE2 1 1 6 1375 1 1 3 PHE CG C -5.516 10.188 -3.487 1.00 . A A . 3 PHE CG 1 1 6 1376 1 1 3 PHE CZ C -6.394 12.572 -4.616 1.00 . A A . 3 PHE CZ 1 1 6 1377 1 1 3 PHE H H -2.100 10.061 -3.230 1.00 . A A . 3 PHE H 1 1 6 1378 1 1 3 PHE HA H -3.617 9.882 -1.615 1.00 . A A . 3 PHE HA 1 1 6 1379 1 1 3 PHE HB2 H -5.014 8.153 -3.656 1.00 . A A . 3 PHE HB2 1 1 6 1380 1 1 3 PHE HB3 H -5.757 8.601 -2.124 1.00 . A A . 3 PHE HB3 1 1 6 1381 1 1 3 PHE HD1 H -6.467 10.876 -1.704 1.00 . A A . 3 PHE HD1 1 1 6 1382 1 1 3 PHE HD2 H -4.671 9.785 -5.406 1.00 . A A . 3 PHE HD2 1 1 6 1383 1 1 3 PHE HE1 H -7.245 12.987 -2.699 1.00 . A A . 3 PHE HE1 1 1 6 1384 1 1 3 PHE HE2 H -5.445 11.895 -6.407 1.00 . A A . 3 PHE HE2 1 1 6 1385 1 1 3 PHE HZ H -6.735 13.498 -5.054 1.00 . A A . 3 PHE HZ 1 1 6 1386 1 1 3 PHE N N -2.582 9.209 -3.247 1.00 . A A . 3 PHE N 1 1 6 1387 1 1 3 PHE O O -2.566 6.913 -1.695 1.00 . A A . 3 PHE O 1 1 6 1388 1 1 4 PHE C C -4.365 5.174 0.156 1.00 . A A . 4 PHE C 1 1 6 1389 1 1 4 PHE CA C -3.855 6.498 0.745 1.00 . A A . 4 PHE CA 1 1 6 1390 1 1 4 PHE CB C -4.511 6.784 2.107 1.00 . A A . 4 PHE CB 1 1 6 1391 1 1 4 PHE CD1 C -4.331 4.790 3.624 1.00 . A A . 4 PHE CD1 1 1 6 1392 1 1 4 PHE CD2 C -2.833 6.614 3.969 1.00 . A A . 4 PHE CD2 1 1 6 1393 1 1 4 PHE CE1 C -3.751 4.111 4.681 1.00 . A A . 4 PHE CE1 1 1 6 1394 1 1 4 PHE CE2 C -2.250 5.940 5.026 1.00 . A A . 4 PHE CE2 1 1 6 1395 1 1 4 PHE CG C -3.878 6.047 3.257 1.00 . A A . 4 PHE CG 1 1 6 1396 1 1 4 PHE CZ C -2.711 4.687 5.382 1.00 . A A . 4 PHE CZ 1 1 6 1397 1 1 4 PHE H H -4.801 8.256 0.051 1.00 . A A . 4 PHE H 1 1 6 1398 1 1 4 PHE HA H -2.787 6.414 0.888 1.00 . A A . 4 PHE HA 1 1 6 1399 1 1 4 PHE HB2 H -4.442 7.841 2.315 1.00 . A A . 4 PHE HB2 1 1 6 1400 1 1 4 PHE HB3 H -5.552 6.499 2.062 1.00 . A A . 4 PHE HB3 1 1 6 1401 1 1 4 PHE HD1 H -5.144 4.338 3.076 1.00 . A A . 4 PHE HD1 1 1 6 1402 1 1 4 PHE HD2 H -2.473 7.593 3.692 1.00 . A A . 4 PHE HD2 1 1 6 1403 1 1 4 PHE HE1 H -4.113 3.131 4.957 1.00 . A A . 4 PHE HE1 1 1 6 1404 1 1 4 PHE HE2 H -1.438 6.393 5.574 1.00 . A A . 4 PHE HE2 1 1 6 1405 1 1 4 PHE HZ H -2.257 4.159 6.208 1.00 . A A . 4 PHE HZ 1 1 6 1406 1 1 4 PHE N N -4.084 7.623 -0.172 1.00 . A A . 4 PHE N 1 1 6 1407 1 1 4 PHE O O -3.572 4.262 -0.103 1.00 . A A . 4 PHE O 1 1 6 1408 1 1 5 ALA C C -5.736 3.439 -1.977 1.00 . A A . 5 ALA C 1 1 6 1409 1 1 5 ALA CA C -6.343 3.903 -0.647 1.00 . A A . 5 ALA CA 1 1 6 1410 1 1 5 ALA CB C -7.833 4.159 -0.815 1.00 . A A . 5 ALA CB 1 1 6 1411 1 1 5 ALA H H -6.239 5.892 0.089 1.00 . A A . 5 ALA H 1 1 6 1412 1 1 5 ALA HA H -6.228 3.110 0.078 1.00 . A A . 5 ALA HA 1 1 6 1413 1 1 5 ALA HB1 H -7.984 4.927 -1.561 1.00 . A A . 5 ALA HB1 1 1 6 1414 1 1 5 ALA HB2 H -8.252 4.485 0.126 1.00 . A A . 5 ALA HB2 1 1 6 1415 1 1 5 ALA HB3 H -8.322 3.250 -1.131 1.00 . A A . 5 ALA HB3 1 1 6 1416 1 1 5 ALA N N -5.687 5.105 -0.099 1.00 . A A . 5 ALA N 1 1 6 1417 1 1 5 ALA O O -5.876 2.269 -2.348 1.00 . A A . 5 ALA O 1 1 6 1418 1 1 6 GLU C C -2.935 3.792 -3.782 1.00 . A A . 6 GLU C 1 1 6 1419 1 1 6 GLU CA C -4.437 4.039 -3.961 1.00 . A A . 6 GLU CA 1 1 6 1420 1 1 6 GLU CB C -4.689 5.146 -4.993 1.00 . A A . 6 GLU CB 1 1 6 1421 1 1 6 GLU CD C -6.359 6.367 -6.445 1.00 . A A . 6 GLU CD 1 1 6 1422 1 1 6 GLU CG C -6.130 5.225 -5.475 1.00 . A A . 6 GLU CG 1 1 6 1423 1 1 6 GLU H H -5.003 5.271 -2.335 1.00 . A A . 6 GLU H 1 1 6 1424 1 1 6 GLU HA H -4.888 3.125 -4.321 1.00 . A A . 6 GLU HA 1 1 6 1425 1 1 6 GLU HB2 H -4.427 6.096 -4.554 1.00 . A A . 6 GLU HB2 1 1 6 1426 1 1 6 GLU HB3 H -4.056 4.970 -5.851 1.00 . A A . 6 GLU HB3 1 1 6 1427 1 1 6 GLU HG2 H -6.384 4.299 -5.969 1.00 . A A . 6 GLU HG2 1 1 6 1428 1 1 6 GLU HG3 H -6.776 5.363 -4.619 1.00 . A A . 6 GLU HG3 1 1 6 1429 1 1 6 GLU N N -5.069 4.358 -2.685 1.00 . A A . 6 GLU N 1 1 6 1430 1 1 6 GLU O O -2.424 2.775 -4.258 1.00 . A A . 6 GLU O 1 1 6 1431 1 1 6 GLU OE1 O -6.565 7.509 -5.979 1.00 . A A . 6 GLU OE1 1 1 6 1432 1 1 6 GLU OE2 O -6.332 6.123 -7.668 1.00 . A A . 6 GLU OE2 1 1 6 1433 1 1 7 ASP C C -0.460 3.431 -1.853 1.00 . A A . 7 ASP C 1 1 6 1434 1 1 7 ASP CA C -0.771 4.554 -2.864 1.00 . A A . 7 ASP CA 1 1 6 1435 1 1 7 ASP CB C -0.130 5.867 -2.399 1.00 . A A . 7 ASP CB 1 1 6 1436 1 1 7 ASP CG C 1.326 5.989 -2.813 1.00 . A A . 7 ASP CG 1 1 6 1437 1 1 7 ASP H H -2.678 5.528 -2.749 1.00 . A A . 7 ASP H 1 1 6 1438 1 1 7 ASP HA H -0.331 4.278 -3.812 1.00 . A A . 7 ASP HA 1 1 6 1439 1 1 7 ASP HB2 H -0.675 6.695 -2.826 1.00 . A A . 7 ASP HB2 1 1 6 1440 1 1 7 ASP HB3 H -0.185 5.924 -1.322 1.00 . A A . 7 ASP HB3 1 1 6 1441 1 1 7 ASP N N -2.223 4.718 -3.095 1.00 . A A . 7 ASP N 1 1 6 1442 1 1 7 ASP O O 0.680 2.961 -1.791 1.00 . A A . 7 ASP O 1 1 6 1443 1 1 7 ASP OD1 O 2.199 5.486 -2.073 1.00 . A A . 7 ASP OD1 1 1 6 1444 1 1 7 ASP OD2 O 1.593 6.587 -3.877 1.00 . A A . 7 ASP OD2 1 1 6 1445 1 1 8 VAL C C -0.820 0.600 -0.701 1.00 . A A . 8 VAL C 1 1 6 1446 1 1 8 VAL CA C -1.301 1.930 -0.063 1.00 . A A . 8 VAL CA 1 1 6 1447 1 1 8 VAL CB C -2.612 1.712 0.770 1.00 . A A . 8 VAL CB 1 1 6 1448 1 1 8 VAL CG1 C -3.760 1.154 -0.076 1.00 . A A . 8 VAL CG1 1 1 6 1449 1 1 8 VAL CG2 C -2.362 0.829 1.992 1.00 . A A . 8 VAL CG2 1 1 6 1450 1 1 8 VAL H H -2.355 3.434 -1.153 1.00 . A A . 8 VAL H 1 1 6 1451 1 1 8 VAL HA H -0.533 2.263 0.623 1.00 . A A . 8 VAL HA 1 1 6 1452 1 1 8 VAL HB H -2.926 2.681 1.131 1.00 . A A . 8 VAL HB 1 1 6 1453 1 1 8 VAL HG11 H -4.634 1.026 0.546 1.00 . A A . 8 VAL HG11 1 1 6 1454 1 1 8 VAL HG12 H -3.470 0.201 -0.491 1.00 . A A . 8 VAL HG12 1 1 6 1455 1 1 8 VAL HG13 H -3.985 1.843 -0.876 1.00 . A A . 8 VAL HG13 1 1 6 1456 1 1 8 VAL HG21 H -2.050 -0.153 1.668 1.00 . A A . 8 VAL HG21 1 1 6 1457 1 1 8 VAL HG22 H -3.274 0.745 2.567 1.00 . A A . 8 VAL HG22 1 1 6 1458 1 1 8 VAL HG23 H -1.590 1.270 2.604 1.00 . A A . 8 VAL HG23 1 1 6 1459 1 1 8 VAL N N -1.473 3.005 -1.067 1.00 . A A . 8 VAL N 1 1 6 1460 1 1 8 VAL O O -0.156 -0.202 -0.039 1.00 . A A . 8 VAL O 1 1 6 1461 1 1 9 GLY C C 0.718 -0.897 -3.018 1.00 . A A . 9 GLY C 1 1 6 1462 1 1 9 GLY CA C -0.775 -0.823 -2.701 1.00 . A A . 9 GLY CA 1 1 6 1463 1 1 9 GLY H H -1.699 1.074 -2.444 1.00 . A A . 9 GLY H 1 1 6 1464 1 1 9 GLY HA2 H -1.042 -1.679 -2.102 1.00 . A A . 9 GLY HA2 1 1 6 1465 1 1 9 GLY HA3 H -1.328 -0.866 -3.628 1.00 . A A . 9 GLY HA3 1 1 6 1466 1 1 9 GLY N N -1.167 0.391 -1.982 1.00 . A A . 9 GLY N 1 1 6 1467 1 1 9 GLY O O 1.220 -1.965 -3.382 1.00 . A A . 9 GLY O 1 1 6 1468 1 1 10 SER C C 3.618 0.943 -1.979 1.00 . A A . 10 SER C 1 1 6 1469 1 1 10 SER CA C 2.855 0.311 -3.147 1.00 . A A . 10 SER CA 1 1 6 1470 1 1 10 SER CB C 3.111 1.107 -4.430 1.00 . A A . 10 SER CB 1 1 6 1471 1 1 10 SER H H 0.948 1.046 -2.582 1.00 . A A . 10 SER H 1 1 6 1472 1 1 10 SER HA H 3.213 -0.698 -3.287 1.00 . A A . 10 SER HA 1 1 6 1473 1 1 10 SER HB2 H 4.175 1.243 -4.560 1.00 . A A . 10 SER HB2 1 1 6 1474 1 1 10 SER HB3 H 2.714 0.561 -5.275 1.00 . A A . 10 SER HB3 1 1 6 1475 1 1 10 SER HG H 2.164 2.614 -5.251 1.00 . A A . 10 SER HG 1 1 6 1476 1 1 10 SER N N 1.416 0.236 -2.877 1.00 . A A . 10 SER N 1 1 6 1477 1 1 10 SER O O 4.814 0.675 -1.798 1.00 . A A . 10 SER O 1 1 6 1478 1 1 10 SER OG O 2.491 2.381 -4.379 1.00 . A A . 10 SER OG 1 1 6 1479 1 1 11 ASN C C 4.198 1.484 0.937 1.00 . A A . 11 ASN C 1 1 6 1480 1 1 11 ASN CA C 3.502 2.465 -0.018 1.00 . A A . 11 ASN CA 1 1 6 1481 1 1 11 ASN CB C 2.414 3.263 0.725 1.00 . A A . 11 ASN CB 1 1 6 1482 1 1 11 ASN CG C 2.963 4.446 1.512 1.00 . A A . 11 ASN CG 1 1 6 1483 1 1 11 ASN H H 1.964 1.915 -1.378 1.00 . A A . 11 ASN H 1 1 6 1484 1 1 11 ASN HA H 4.241 3.157 -0.396 1.00 . A A . 11 ASN HA 1 1 6 1485 1 1 11 ASN HB2 H 1.702 3.638 0.005 1.00 . A A . 11 ASN HB2 1 1 6 1486 1 1 11 ASN HB3 H 1.905 2.603 1.412 1.00 . A A . 11 ASN HB3 1 1 6 1487 1 1 11 ASN HD21 H 1.592 4.165 2.924 1.00 . A A . 11 ASN HD21 1 1 6 1488 1 1 11 ASN HD22 H 2.679 5.482 3.185 1.00 . A A . 11 ASN HD22 1 1 6 1489 1 1 11 ASN N N 2.913 1.770 -1.179 1.00 . A A . 11 ASN N 1 1 6 1490 1 1 11 ASN ND2 N 2.349 4.727 2.656 1.00 . A A . 11 ASN ND2 1 1 6 1491 1 1 11 ASN O O 5.370 1.679 1.282 1.00 . A A . 11 ASN O 1 1 6 1492 1 1 11 ASN OD1 O 3.924 5.100 1.101 1.00 . A A . 11 ASN OD1 1 1 6 1493 1 1 12 LYS C C 5.245 -1.284 1.595 1.00 . A A . 12 LYS C 1 1 6 1494 1 1 12 LYS CA C 4.014 -0.623 2.224 1.00 . A A . 12 LYS CA 1 1 6 1495 1 1 12 LYS CB C 2.944 -1.677 2.544 1.00 . A A . 12 LYS CB 1 1 6 1496 1 1 12 LYS CD C 0.888 -2.300 3.873 1.00 . A A . 12 LYS CD 1 1 6 1497 1 1 12 LYS CE C -0.405 -2.123 3.089 1.00 . A A . 12 LYS CE 1 1 6 1498 1 1 12 LYS CG C 1.901 -1.206 3.551 1.00 . A A . 12 LYS CG 1 1 6 1499 1 1 12 LYS H H 2.556 0.321 1.000 1.00 . A A . 12 LYS H 1 1 6 1500 1 1 12 LYS HA H 4.311 -0.142 3.142 1.00 . A A . 12 LYS HA 1 1 6 1501 1 1 12 LYS HB2 H 2.434 -1.943 1.629 1.00 . A A . 12 LYS HB2 1 1 6 1502 1 1 12 LYS HB3 H 3.429 -2.555 2.944 1.00 . A A . 12 LYS HB3 1 1 6 1503 1 1 12 LYS HD2 H 1.317 -3.259 3.624 1.00 . A A . 12 LYS HD2 1 1 6 1504 1 1 12 LYS HD3 H 0.662 -2.271 4.930 1.00 . A A . 12 LYS HD3 1 1 6 1505 1 1 12 LYS HE2 H -0.848 -1.177 3.361 1.00 . A A . 12 LYS HE2 1 1 6 1506 1 1 12 LYS HE3 H -0.173 -2.121 2.034 1.00 . A A . 12 LYS HE3 1 1 6 1507 1 1 12 LYS HG2 H 2.404 -0.913 4.461 1.00 . A A . 12 LYS HG2 1 1 6 1508 1 1 12 LYS HG3 H 1.378 -0.355 3.139 1.00 . A A . 12 LYS HG3 1 1 6 1509 1 1 12 LYS HZ1 H -2.250 -3.064 2.820 1.00 . A A . 12 LYS HZ1 1 1 6 1510 1 1 12 LYS HZ2 H -1.621 -3.224 4.382 1.00 . A A . 12 LYS HZ2 1 1 6 1511 1 1 12 LYS HZ3 H -0.971 -4.133 3.112 1.00 . A A . 12 LYS HZ3 1 1 6 1512 1 1 12 LYS N N 3.475 0.412 1.327 1.00 . A A . 12 LYS N 1 1 6 1513 1 1 12 LYS NZ N -1.380 -3.213 3.370 1.00 . A A . 12 LYS NZ 1 1 6 1514 1 1 12 LYS O O 6.329 -1.306 2.201 1.00 . A A . 12 LYS O 1 1 6 1515 1 1 13 GLY C C 7.331 -1.476 -0.625 1.00 . A A . 13 GLY C 1 1 6 1516 1 1 13 GLY CA C 6.147 -2.406 -0.406 1.00 . A A . 13 GLY CA 1 1 6 1517 1 1 13 GLY H H 4.183 -1.684 -0.067 1.00 . A A . 13 GLY H 1 1 6 1518 1 1 13 GLY HA2 H 6.480 -3.280 0.131 1.00 . A A . 13 GLY HA2 1 1 6 1519 1 1 13 GLY HA3 H 5.764 -2.713 -1.368 1.00 . A A . 13 GLY HA3 1 1 6 1520 1 1 13 GLY N N 5.068 -1.767 0.346 1.00 . A A . 13 GLY N 1 1 6 1521 1 1 13 GLY O O 8.476 -1.931 -0.710 1.00 . A A . 13 GLY O 1 1 6 1522 1 1 14 ALA C C 8.785 1.157 0.435 1.00 . A A . 14 ALA C 1 1 6 1523 1 1 14 ALA CA C 8.072 0.857 -0.889 1.00 . A A . 14 ALA CA 1 1 6 1524 1 1 14 ALA CB C 7.466 2.130 -1.466 1.00 . A A . 14 ALA CB 1 1 6 1525 1 1 14 ALA H H 6.098 0.114 -0.673 1.00 . A A . 14 ALA H 1 1 6 1526 1 1 14 ALA HA H 8.794 0.479 -1.599 1.00 . A A . 14 ALA HA 1 1 6 1527 1 1 14 ALA HB1 H 6.752 2.539 -0.767 1.00 . A A . 14 ALA HB1 1 1 6 1528 1 1 14 ALA HB2 H 6.967 1.902 -2.398 1.00 . A A . 14 ALA HB2 1 1 6 1529 1 1 14 ALA HB3 H 8.249 2.852 -1.646 1.00 . A A . 14 ALA HB3 1 1 6 1530 1 1 14 ALA N N 7.040 -0.166 -0.713 1.00 . A A . 14 ALA N 1 1 6 1531 1 1 14 ALA O O 10.022 1.224 0.475 1.00 . A A . 14 ALA O 1 1 6 1532 1 1 15 ILE C C 9.309 0.386 3.451 1.00 . A A . 15 ILE C 1 1 6 1533 1 1 15 ILE CA C 8.566 1.594 2.861 1.00 . A A . 15 ILE CA 1 1 6 1534 1 1 15 ILE CB C 7.520 2.125 3.891 1.00 . A A . 15 ILE CB 1 1 6 1535 1 1 15 ILE CD1 C 5.933 0.899 5.477 1.00 . A A . 15 ILE CD1 1 1 6 1536 1 1 15 ILE CG1 C 6.309 1.190 4.038 1.00 . A A . 15 ILE CG1 1 1 6 1537 1 1 15 ILE CG2 C 7.061 3.526 3.506 1.00 . A A . 15 ILE CG2 1 1 6 1538 1 1 15 ILE H H 7.026 1.214 1.432 1.00 . A A . 15 ILE H 1 1 6 1539 1 1 15 ILE HA H 9.296 2.380 2.715 1.00 . A A . 15 ILE HA 1 1 6 1540 1 1 15 ILE HB H 8.017 2.200 4.849 1.00 . A A . 15 ILE HB 1 1 6 1541 1 1 15 ILE HD11 H 6.764 0.424 5.976 1.00 . A A . 15 ILE HD11 1 1 6 1542 1 1 15 ILE HD12 H 5.076 0.243 5.500 1.00 . A A . 15 ILE HD12 1 1 6 1543 1 1 15 ILE HD13 H 5.692 1.824 5.980 1.00 . A A . 15 ILE HD13 1 1 6 1544 1 1 15 ILE HG12 H 5.456 1.649 3.562 1.00 . A A . 15 ILE HG12 1 1 6 1545 1 1 15 ILE HG13 H 6.527 0.250 3.553 1.00 . A A . 15 ILE HG13 1 1 6 1546 1 1 15 ILE HG21 H 6.606 3.499 2.527 1.00 . A A . 15 ILE HG21 1 1 6 1547 1 1 15 ILE HG22 H 7.911 4.191 3.490 1.00 . A A . 15 ILE HG22 1 1 6 1548 1 1 15 ILE HG23 H 6.340 3.879 4.228 1.00 . A A . 15 ILE HG23 1 1 6 1549 1 1 15 ILE N N 7.999 1.302 1.528 1.00 . A A . 15 ILE N 1 1 6 1550 1 1 15 ILE O O 10.311 0.565 4.148 1.00 . A A . 15 ILE O 1 1 6 1551 1 1 16 ILE C C 10.809 -2.295 2.918 1.00 . A A . 16 ILE C 1 1 6 1552 1 1 16 ILE CA C 9.490 -2.061 3.673 1.00 . A A . 16 ILE CA 1 1 6 1553 1 1 16 ILE CB C 8.594 -3.343 3.615 1.00 . A A . 16 ILE CB 1 1 6 1554 1 1 16 ILE CD1 C 8.849 -4.700 1.464 1.00 . A A . 16 ILE CD1 1 1 6 1555 1 1 16 ILE CG1 C 8.061 -3.638 2.201 1.00 . A A . 16 ILE CG1 1 1 6 1556 1 1 16 ILE CG2 C 7.435 -3.228 4.596 1.00 . A A . 16 ILE CG2 1 1 6 1557 1 1 16 ILE H H 7.999 -0.928 2.634 1.00 . A A . 16 ILE H 1 1 6 1558 1 1 16 ILE HA H 9.734 -1.877 4.712 1.00 . A A . 16 ILE HA 1 1 6 1559 1 1 16 ILE HB H 9.202 -4.178 3.935 1.00 . A A . 16 ILE HB 1 1 6 1560 1 1 16 ILE HD11 H 8.814 -5.625 2.020 1.00 . A A . 16 ILE HD11 1 1 6 1561 1 1 16 ILE HD12 H 9.876 -4.380 1.362 1.00 . A A . 16 ILE HD12 1 1 6 1562 1 1 16 ILE HD13 H 8.420 -4.853 0.485 1.00 . A A . 16 ILE HD13 1 1 6 1563 1 1 16 ILE HG12 H 7.038 -3.975 2.272 1.00 . A A . 16 ILE HG12 1 1 6 1564 1 1 16 ILE HG13 H 8.098 -2.730 1.617 1.00 . A A . 16 ILE HG13 1 1 6 1565 1 1 16 ILE HG21 H 6.829 -4.120 4.545 1.00 . A A . 16 ILE HG21 1 1 6 1566 1 1 16 ILE HG22 H 6.832 -2.369 4.341 1.00 . A A . 16 ILE HG22 1 1 6 1567 1 1 16 ILE HG23 H 7.821 -3.112 5.598 1.00 . A A . 16 ILE HG23 1 1 6 1568 1 1 16 ILE N N 8.818 -0.842 3.172 1.00 . A A . 16 ILE N 1 1 6 1569 1 1 16 ILE O O 11.839 -2.601 3.526 1.00 . A A . 16 ILE O 1 1 6 1570 1 1 17 GLY C C 12.912 -1.153 0.871 1.00 . A A . 17 GLY C 1 1 6 1571 1 1 17 GLY CA C 11.918 -2.297 0.724 1.00 . A A . 17 GLY CA 1 1 6 1572 1 1 17 GLY H H 9.883 -1.921 1.175 1.00 . A A . 17 GLY H 1 1 6 1573 1 1 17 GLY HA2 H 12.415 -3.223 0.976 1.00 . A A . 17 GLY HA2 1 1 6 1574 1 1 17 GLY HA3 H 11.591 -2.346 -0.304 1.00 . A A . 17 GLY HA3 1 1 6 1575 1 1 17 GLY N N 10.747 -2.144 1.582 1.00 . A A . 17 GLY N 1 1 6 1576 1 1 17 GLY O O 14.119 -1.385 0.976 1.00 . A A . 17 GLY O 1 1 6 1577 1 1 18 LEU C C 14.176 1.497 -0.157 1.00 . A A . 18 LEU C 1 1 6 1578 1 1 18 LEU CA C 13.193 1.332 1.012 1.00 . A A . 18 LEU CA 1 1 6 1579 1 1 18 LEU CB C 13.950 1.375 2.373 1.00 . A A . 18 LEU CB 1 1 6 1580 1 1 18 LEU CD1 C 14.782 3.789 2.250 1.00 . A A . 18 LEU CD1 1 1 6 1581 1 1 18 LEU CD2 C 12.688 3.262 3.533 1.00 . A A . 18 LEU CD2 1 1 6 1582 1 1 18 LEU CG C 14.060 2.746 3.098 1.00 . A A . 18 LEU CG 1 1 6 1583 1 1 18 LEU H H 11.411 0.188 0.802 1.00 . A A . 18 LEU H 1 1 6 1584 1 1 18 LEU HA H 12.502 2.161 0.982 1.00 . A A . 18 LEU HA 1 1 6 1585 1 1 18 LEU HB2 H 13.459 0.689 3.045 1.00 . A A . 18 LEU HB2 1 1 6 1586 1 1 18 LEU HB3 H 14.953 1.012 2.200 1.00 . A A . 18 LEU HB3 1 1 6 1587 1 1 18 LEU HD11 H 15.780 3.443 2.025 1.00 . A A . 18 LEU HD11 1 1 6 1588 1 1 18 LEU HD12 H 14.840 4.720 2.796 1.00 . A A . 18 LEU HD12 1 1 6 1589 1 1 18 LEU HD13 H 14.239 3.946 1.330 1.00 . A A . 18 LEU HD13 1 1 6 1590 1 1 18 LEU HD21 H 12.156 3.642 2.673 1.00 . A A . 18 LEU HD21 1 1 6 1591 1 1 18 LEU HD22 H 12.815 4.054 4.255 1.00 . A A . 18 LEU HD22 1 1 6 1592 1 1 18 LEU HD23 H 12.124 2.456 3.978 1.00 . A A . 18 LEU HD23 1 1 6 1593 1 1 18 LEU HG H 14.648 2.605 3.993 1.00 . A A . 18 LEU HG 1 1 6 1594 1 1 18 LEU N N 12.385 0.096 0.882 1.00 . A A . 18 LEU N 1 1 6 1595 1 1 18 LEU O O 15.122 0.685 -0.263 1.00 . A A . 18 LEU O 1 1 6 1596 1 1 18 LEU OXT O 13.986 2.438 -0.955 1.00 . A A . 18 LEU OXT 1 1 7 1597 1 1 1 LEU C C -6.029 3.712 10.476 1.00 . A A . 1 LEU C 1 1 7 1598 1 1 1 LEU CA C -6.778 4.948 10.989 1.00 . A A . 1 LEU CA 1 1 7 1599 1 1 1 LEU CB C -8.305 4.746 10.866 1.00 . A A . 1 LEU CB 1 1 7 1600 1 1 1 LEU CD1 C -10.102 3.869 9.343 1.00 . A A . 1 LEU CD1 1 1 7 1601 1 1 1 LEU CD2 C -9.283 6.211 9.063 1.00 . A A . 1 LEU CD2 1 1 7 1602 1 1 1 LEU CG C -8.895 4.788 9.444 1.00 . A A . 1 LEU CG 1 1 7 1603 1 1 1 LEU H1 H -6.873 7.002 10.625 1.00 . A A . 1 LEU H1 1 1 7 1604 1 1 1 LEU H2 H -6.522 6.079 9.251 1.00 . A A . 1 LEU H2 1 1 7 1605 1 1 1 LEU H3 H -5.328 6.340 10.420 1.00 . A A . 1 LEU H3 1 1 7 1606 1 1 1 LEU HA H -6.530 5.077 12.034 1.00 . A A . 1 LEU HA 1 1 7 1607 1 1 1 LEU HB2 H -8.549 3.788 11.299 1.00 . A A . 1 LEU HB2 1 1 7 1608 1 1 1 LEU HB3 H -8.789 5.513 11.451 1.00 . A A . 1 LEU HB3 1 1 7 1609 1 1 1 LEU HD11 H -10.514 3.925 8.347 1.00 . A A . 1 LEU HD11 1 1 7 1610 1 1 1 LEU HD12 H -10.848 4.175 10.060 1.00 . A A . 1 LEU HD12 1 1 7 1611 1 1 1 LEU HD13 H -9.799 2.852 9.549 1.00 . A A . 1 LEU HD13 1 1 7 1612 1 1 1 LEU HD21 H -10.035 6.575 9.749 1.00 . A A . 1 LEU HD21 1 1 7 1613 1 1 1 LEU HD22 H -9.679 6.220 8.059 1.00 . A A . 1 LEU HD22 1 1 7 1614 1 1 1 LEU HD23 H -8.412 6.848 9.113 1.00 . A A . 1 LEU HD23 1 1 7 1615 1 1 1 LEU HG H -8.151 4.442 8.741 1.00 . A A . 1 LEU HG 1 1 7 1616 1 1 1 LEU N N -6.345 6.178 10.272 1.00 . A A . 1 LEU N 1 1 7 1617 1 1 1 LEU O O -5.580 2.882 11.272 1.00 . A A . 1 LEU O 1 1 7 1618 1 1 2 VAL C C -3.982 2.992 7.713 1.00 . A A . 2 VAL C 1 1 7 1619 1 1 2 VAL CA C -5.213 2.478 8.518 1.00 . A A . 2 VAL CA 1 1 7 1620 1 1 2 VAL CB C -6.227 1.646 7.650 1.00 . A A . 2 VAL CB 1 1 7 1621 1 1 2 VAL CG1 C -6.559 2.319 6.317 1.00 . A A . 2 VAL CG1 1 1 7 1622 1 1 2 VAL CG2 C -5.744 0.211 7.431 1.00 . A A . 2 VAL CG2 1 1 7 1623 1 1 2 VAL H H -6.287 4.301 8.577 1.00 . A A . 2 VAL H 1 1 7 1624 1 1 2 VAL HA H -4.859 1.844 9.325 1.00 . A A . 2 VAL HA 1 1 7 1625 1 1 2 VAL HB H -7.149 1.589 8.210 1.00 . A A . 2 VAL HB 1 1 7 1626 1 1 2 VAL HG11 H -7.257 1.706 5.768 1.00 . A A . 2 VAL HG11 1 1 7 1627 1 1 2 VAL HG12 H -5.655 2.441 5.740 1.00 . A A . 2 VAL HG12 1 1 7 1628 1 1 2 VAL HG13 H -6.999 3.288 6.503 1.00 . A A . 2 VAL HG13 1 1 7 1629 1 1 2 VAL HG21 H -5.365 -0.187 8.360 1.00 . A A . 2 VAL HG21 1 1 7 1630 1 1 2 VAL HG22 H -4.963 0.202 6.688 1.00 . A A . 2 VAL HG22 1 1 7 1631 1 1 2 VAL HG23 H -6.569 -0.396 7.090 1.00 . A A . 2 VAL HG23 1 1 7 1632 1 1 2 VAL N N -5.904 3.604 9.148 1.00 . A A . 2 VAL N 1 1 7 1633 1 1 2 VAL O O -3.554 4.133 7.917 1.00 . A A . 2 VAL O 1 1 7 1634 1 1 3 PHE C C -2.402 2.133 4.546 1.00 . A A . 3 PHE C 1 1 7 1635 1 1 3 PHE CA C -2.249 2.552 6.011 1.00 . A A . 3 PHE CA 1 1 7 1636 1 1 3 PHE CB C -0.969 1.936 6.589 1.00 . A A . 3 PHE CB 1 1 7 1637 1 1 3 PHE CD1 C 0.290 3.621 7.962 1.00 . A A . 3 PHE CD1 1 1 7 1638 1 1 3 PHE CD2 C -1.008 1.975 9.101 1.00 . A A . 3 PHE CD2 1 1 7 1639 1 1 3 PHE CE1 C 0.673 4.162 9.175 1.00 . A A . 3 PHE CE1 1 1 7 1640 1 1 3 PHE CE2 C -0.628 2.512 10.316 1.00 . A A . 3 PHE CE2 1 1 7 1641 1 1 3 PHE CG C -0.555 2.523 7.911 1.00 . A A . 3 PHE CG 1 1 7 1642 1 1 3 PHE CZ C 0.214 3.607 10.353 1.00 . A A . 3 PHE CZ 1 1 7 1643 1 1 3 PHE H H -3.800 1.270 6.671 1.00 . A A . 3 PHE H 1 1 7 1644 1 1 3 PHE HA H -2.168 3.628 6.055 1.00 . A A . 3 PHE HA 1 1 7 1645 1 1 3 PHE HB2 H -1.122 0.876 6.733 1.00 . A A . 3 PHE HB2 1 1 7 1646 1 1 3 PHE HB3 H -0.159 2.085 5.891 1.00 . A A . 3 PHE HB3 1 1 7 1647 1 1 3 PHE HD1 H 0.649 4.057 7.041 1.00 . A A . 3 PHE HD1 1 1 7 1648 1 1 3 PHE HD2 H -1.667 1.120 9.074 1.00 . A A . 3 PHE HD2 1 1 7 1649 1 1 3 PHE HE1 H 1.332 5.017 9.201 1.00 . A A . 3 PHE HE1 1 1 7 1650 1 1 3 PHE HE2 H -0.989 2.076 11.236 1.00 . A A . 3 PHE HE2 1 1 7 1651 1 1 3 PHE HZ H 0.512 4.028 11.301 1.00 . A A . 3 PHE HZ 1 1 7 1652 1 1 3 PHE N N -3.417 2.160 6.811 1.00 . A A . 3 PHE N 1 1 7 1653 1 1 3 PHE O O -1.720 2.674 3.669 1.00 . A A . 3 PHE O 1 1 7 1654 1 1 4 PHE C C -4.137 1.753 2.007 1.00 . A A . 4 PHE C 1 1 7 1655 1 1 4 PHE CA C -3.564 0.662 2.931 1.00 . A A . 4 PHE CA 1 1 7 1656 1 1 4 PHE CB C -4.522 -0.539 2.999 1.00 . A A . 4 PHE CB 1 1 7 1657 1 1 4 PHE CD1 C -5.201 -1.231 0.679 1.00 . A A . 4 PHE CD1 1 1 7 1658 1 1 4 PHE CD2 C -3.599 -2.566 1.836 1.00 . A A . 4 PHE CD2 1 1 7 1659 1 1 4 PHE CE1 C -5.128 -2.079 -0.410 1.00 . A A . 4 PHE CE1 1 1 7 1660 1 1 4 PHE CE2 C -3.521 -3.418 0.751 1.00 . A A . 4 PHE CE2 1 1 7 1661 1 1 4 PHE CG C -4.439 -1.464 1.813 1.00 . A A . 4 PHE CG 1 1 7 1662 1 1 4 PHE CZ C -4.286 -3.174 -0.374 1.00 . A A . 4 PHE CZ 1 1 7 1663 1 1 4 PHE H H -3.827 0.806 5.031 1.00 . A A . 4 PHE H 1 1 7 1664 1 1 4 PHE HA H -2.619 0.329 2.527 1.00 . A A . 4 PHE HA 1 1 7 1665 1 1 4 PHE HB2 H -4.298 -1.116 3.883 1.00 . A A . 4 PHE HB2 1 1 7 1666 1 1 4 PHE HB3 H -5.537 -0.172 3.064 1.00 . A A . 4 PHE HB3 1 1 7 1667 1 1 4 PHE HD1 H -5.859 -0.375 0.650 1.00 . A A . 4 PHE HD1 1 1 7 1668 1 1 4 PHE HD2 H -3.001 -2.759 2.714 1.00 . A A . 4 PHE HD2 1 1 7 1669 1 1 4 PHE HE1 H -5.726 -1.886 -1.287 1.00 . A A . 4 PHE HE1 1 1 7 1670 1 1 4 PHE HE2 H -2.862 -4.274 0.780 1.00 . A A . 4 PHE HE2 1 1 7 1671 1 1 4 PHE HZ H -4.226 -3.838 -1.223 1.00 . A A . 4 PHE HZ 1 1 7 1672 1 1 4 PHE N N -3.311 1.177 4.287 1.00 . A A . 4 PHE N 1 1 7 1673 1 1 4 PHE O O -3.646 1.949 0.890 1.00 . A A . 4 PHE O 1 1 7 1674 1 1 5 ALA C C -4.850 4.671 1.335 1.00 . A A . 5 ALA C 1 1 7 1675 1 1 5 ALA CA C -5.819 3.555 1.747 1.00 . A A . 5 ALA CA 1 1 7 1676 1 1 5 ALA CB C -6.965 4.133 2.563 1.00 . A A . 5 ALA CB 1 1 7 1677 1 1 5 ALA H H -5.470 2.283 3.413 1.00 . A A . 5 ALA H 1 1 7 1678 1 1 5 ALA HA H -6.238 3.115 0.854 1.00 . A A . 5 ALA HA 1 1 7 1679 1 1 5 ALA HB1 H -7.640 3.340 2.850 1.00 . A A . 5 ALA HB1 1 1 7 1680 1 1 5 ALA HB2 H -7.498 4.861 1.968 1.00 . A A . 5 ALA HB2 1 1 7 1681 1 1 5 ALA HB3 H -6.573 4.610 3.449 1.00 . A A . 5 ALA HB3 1 1 7 1682 1 1 5 ALA N N -5.155 2.479 2.506 1.00 . A A . 5 ALA N 1 1 7 1683 1 1 5 ALA O O -5.093 5.377 0.352 1.00 . A A . 5 ALA O 1 1 7 1684 1 1 6 GLU C C -1.573 5.211 1.040 1.00 . A A . 6 GLU C 1 1 7 1685 1 1 6 GLU CA C -2.742 5.830 1.815 1.00 . A A . 6 GLU CA 1 1 7 1686 1 1 6 GLU CB C -2.252 6.471 3.128 1.00 . A A . 6 GLU CB 1 1 7 1687 1 1 6 GLU CD C -0.355 8.009 2.423 1.00 . A A . 6 GLU CD 1 1 7 1688 1 1 6 GLU CG C -1.762 7.913 2.989 1.00 . A A . 6 GLU CG 1 1 7 1689 1 1 6 GLU H H -3.635 4.226 2.867 1.00 . A A . 6 GLU H 1 1 7 1690 1 1 6 GLU HA H -3.199 6.592 1.201 1.00 . A A . 6 GLU HA 1 1 7 1691 1 1 6 GLU HB2 H -3.064 6.461 3.841 1.00 . A A . 6 GLU HB2 1 1 7 1692 1 1 6 GLU HB3 H -1.440 5.875 3.520 1.00 . A A . 6 GLU HB3 1 1 7 1693 1 1 6 GLU HG2 H -2.432 8.445 2.332 1.00 . A A . 6 GLU HG2 1 1 7 1694 1 1 6 GLU HG3 H -1.773 8.377 3.964 1.00 . A A . 6 GLU HG3 1 1 7 1695 1 1 6 GLU N N -3.758 4.819 2.096 1.00 . A A . 6 GLU N 1 1 7 1696 1 1 6 GLU O O -1.182 5.726 -0.011 1.00 . A A . 6 GLU O 1 1 7 1697 1 1 6 GLU OE1 O 0.608 7.993 3.219 1.00 . A A . 6 GLU OE1 1 1 7 1698 1 1 6 GLU OE2 O -0.217 8.100 1.185 1.00 . A A . 6 GLU OE2 1 1 7 1699 1 1 7 ASP C C -0.306 2.653 -0.354 1.00 . A A . 7 ASP C 1 1 7 1700 1 1 7 ASP CA C 0.110 3.397 0.932 1.00 . A A . 7 ASP CA 1 1 7 1701 1 1 7 ASP CB C 0.774 2.425 1.916 1.00 . A A . 7 ASP CB 1 1 7 1702 1 1 7 ASP CG C 1.319 3.117 3.155 1.00 . A A . 7 ASP CG 1 1 7 1703 1 1 7 ASP H H -1.380 3.751 2.411 1.00 . A A . 7 ASP H 1 1 7 1704 1 1 7 ASP HA H 0.836 4.150 0.660 1.00 . A A . 7 ASP HA 1 1 7 1705 1 1 7 ASP HB2 H 0.052 1.685 2.226 1.00 . A A . 7 ASP HB2 1 1 7 1706 1 1 7 ASP HB3 H 1.594 1.938 1.414 1.00 . A A . 7 ASP HB3 1 1 7 1707 1 1 7 ASP N N -1.019 4.102 1.570 1.00 . A A . 7 ASP N 1 1 7 1708 1 1 7 ASP O O 0.559 2.158 -1.087 1.00 . A A . 7 ASP O 1 1 7 1709 1 1 7 ASP OD1 O 2.229 3.961 3.013 1.00 . A A . 7 ASP OD1 1 1 7 1710 1 1 7 ASP OD2 O 0.838 2.811 4.266 1.00 . A A . 7 ASP OD2 1 1 7 1711 1 1 8 VAL C C -1.424 0.775 -2.429 1.00 . A A . 8 VAL C 1 1 7 1712 1 1 8 VAL CA C -2.264 1.909 -1.778 1.00 . A A . 8 VAL CA 1 1 7 1713 1 1 8 VAL CB C -2.701 2.967 -2.848 1.00 . A A . 8 VAL CB 1 1 7 1714 1 1 8 VAL CG1 C -3.962 3.687 -2.396 1.00 . A A . 8 VAL CG1 1 1 7 1715 1 1 8 VAL CG2 C -1.597 3.985 -3.157 1.00 . A A . 8 VAL CG2 1 1 7 1716 1 1 8 VAL H H -2.249 2.911 0.102 1.00 . A A . 8 VAL H 1 1 7 1717 1 1 8 VAL HA H -3.174 1.447 -1.417 1.00 . A A . 8 VAL HA 1 1 7 1718 1 1 8 VAL HB H -2.934 2.438 -3.761 1.00 . A A . 8 VAL HB 1 1 7 1719 1 1 8 VAL HG11 H -4.249 4.413 -3.142 1.00 . A A . 8 VAL HG11 1 1 7 1720 1 1 8 VAL HG12 H -3.775 4.189 -1.459 1.00 . A A . 8 VAL HG12 1 1 7 1721 1 1 8 VAL HG13 H -4.760 2.970 -2.268 1.00 . A A . 8 VAL HG13 1 1 7 1722 1 1 8 VAL HG21 H -1.335 4.518 -2.255 1.00 . A A . 8 VAL HG21 1 1 7 1723 1 1 8 VAL HG22 H -1.951 4.685 -3.900 1.00 . A A . 8 VAL HG22 1 1 7 1724 1 1 8 VAL HG23 H -0.727 3.468 -3.536 1.00 . A A . 8 VAL HG23 1 1 7 1725 1 1 8 VAL N N -1.640 2.550 -0.582 1.00 . A A . 8 VAL N 1 1 7 1726 1 1 8 VAL O O -1.118 -0.222 -1.770 1.00 . A A . 8 VAL O 1 1 7 1727 1 1 9 GLY C C 1.166 -0.170 -3.994 1.00 . A A . 9 GLY C 1 1 7 1728 1 1 9 GLY CA C -0.282 -0.057 -4.453 1.00 . A A . 9 GLY CA 1 1 7 1729 1 1 9 GLY H H -1.335 1.766 -4.180 1.00 . A A . 9 GLY H 1 1 7 1730 1 1 9 GLY HA2 H -0.756 -1.019 -4.332 1.00 . A A . 9 GLY HA2 1 1 7 1731 1 1 9 GLY HA3 H -0.293 0.202 -5.502 1.00 . A A . 9 GLY HA3 1 1 7 1732 1 1 9 GLY N N -1.064 0.943 -3.720 1.00 . A A . 9 GLY N 1 1 7 1733 1 1 9 GLY O O 1.865 -1.114 -4.372 1.00 . A A . 9 GLY O 1 1 7 1734 1 1 10 SER C C 3.080 -0.122 -1.429 1.00 . A A . 10 SER C 1 1 7 1735 1 1 10 SER CA C 2.972 0.814 -2.642 1.00 . A A . 10 SER CA 1 1 7 1736 1 1 10 SER CB C 3.370 2.251 -2.267 1.00 . A A . 10 SER CB 1 1 7 1737 1 1 10 SER H H 0.997 1.520 -2.929 1.00 . A A . 10 SER H 1 1 7 1738 1 1 10 SER HA H 3.634 0.456 -3.418 1.00 . A A . 10 SER HA 1 1 7 1739 1 1 10 SER HB2 H 2.645 2.652 -1.576 1.00 . A A . 10 SER HB2 1 1 7 1740 1 1 10 SER HB3 H 4.344 2.248 -1.803 1.00 . A A . 10 SER HB3 1 1 7 1741 1 1 10 SER HG H 4.051 3.786 -3.275 1.00 . A A . 10 SER HG 1 1 7 1742 1 1 10 SER N N 1.609 0.797 -3.178 1.00 . A A . 10 SER N 1 1 7 1743 1 1 10 SER O O 3.943 -1.015 -1.394 1.00 . A A . 10 SER O 1 1 7 1744 1 1 10 SER OG O 3.413 3.083 -3.414 1.00 . A A . 10 SER OG 1 1 7 1745 1 1 11 ASN C C 3.468 -1.073 1.414 1.00 . A A . 11 ASN C 1 1 7 1746 1 1 11 ASN CA C 2.094 -0.713 0.810 1.00 . A A . 11 ASN CA 1 1 7 1747 1 1 11 ASN CB C 1.258 -1.981 0.538 1.00 . A A . 11 ASN CB 1 1 7 1748 1 1 11 ASN CG C 0.417 -2.396 1.733 1.00 . A A . 11 ASN CG 1 1 7 1749 1 1 11 ASN H H 1.550 0.842 -0.545 1.00 . A A . 11 ASN H 1 1 7 1750 1 1 11 ASN HA H 1.575 -0.119 1.537 1.00 . A A . 11 ASN HA 1 1 7 1751 1 1 11 ASN HB2 H 0.596 -1.795 -0.294 1.00 . A A . 11 ASN HB2 1 1 7 1752 1 1 11 ASN HB3 H 1.922 -2.795 0.288 1.00 . A A . 11 ASN HB3 1 1 7 1753 1 1 11 ASN HD21 H 1.808 -3.701 2.296 1.00 . A A . 11 ASN HD21 1 1 7 1754 1 1 11 ASN HD22 H 0.406 -3.618 3.301 1.00 . A A . 11 ASN HD22 1 1 7 1755 1 1 11 ASN N N 2.183 0.099 -0.434 1.00 . A A . 11 ASN N 1 1 7 1756 1 1 11 ASN ND2 N 0.929 -3.333 2.523 1.00 . A A . 11 ASN ND2 1 1 7 1757 1 1 11 ASN O O 4.491 -0.492 1.037 1.00 . A A . 11 ASN O 1 1 7 1758 1 1 11 ASN OD1 O -0.683 -1.885 1.939 1.00 . A A . 11 ASN OD1 1 1 7 1759 1 1 12 LYS C C 5.791 -2.825 2.016 1.00 . A A . 12 LYS C 1 1 7 1760 1 1 12 LYS CA C 4.694 -2.494 3.035 1.00 . A A . 12 LYS CA 1 1 7 1761 1 1 12 LYS CB C 4.397 -3.726 3.902 1.00 . A A . 12 LYS CB 1 1 7 1762 1 1 12 LYS CD C 3.354 -4.668 5.987 1.00 . A A . 12 LYS CD 1 1 7 1763 1 1 12 LYS CE C 2.580 -4.354 7.257 1.00 . A A . 12 LYS CE 1 1 7 1764 1 1 12 LYS CG C 3.620 -3.411 5.173 1.00 . A A . 12 LYS CG 1 1 7 1765 1 1 12 LYS H H 2.614 -2.431 2.627 1.00 . A A . 12 LYS H 1 1 7 1766 1 1 12 LYS HA H 5.040 -1.699 3.675 1.00 . A A . 12 LYS HA 1 1 7 1767 1 1 12 LYS HB2 H 3.821 -4.429 3.319 1.00 . A A . 12 LYS HB2 1 1 7 1768 1 1 12 LYS HB3 H 5.333 -4.187 4.182 1.00 . A A . 12 LYS HB3 1 1 7 1769 1 1 12 LYS HD2 H 2.778 -5.356 5.388 1.00 . A A . 12 LYS HD2 1 1 7 1770 1 1 12 LYS HD3 H 4.298 -5.120 6.252 1.00 . A A . 12 LYS HD3 1 1 7 1771 1 1 12 LYS HE2 H 3.155 -3.661 7.851 1.00 . A A . 12 LYS HE2 1 1 7 1772 1 1 12 LYS HE3 H 1.638 -3.900 6.986 1.00 . A A . 12 LYS HE3 1 1 7 1773 1 1 12 LYS HG2 H 4.195 -2.722 5.773 1.00 . A A . 12 LYS HG2 1 1 7 1774 1 1 12 LYS HG3 H 2.677 -2.960 4.904 1.00 . A A . 12 LYS HG3 1 1 7 1775 1 1 12 LYS HZ1 H 1.788 -5.332 8.925 1.00 . A A . 12 LYS HZ1 1 1 7 1776 1 1 12 LYS HZ2 H 3.212 -6.029 8.333 1.00 . A A . 12 LYS HZ2 1 1 7 1777 1 1 12 LYS HZ3 H 1.753 -6.256 7.507 1.00 . A A . 12 LYS HZ3 1 1 7 1778 1 1 12 LYS N N 3.469 -2.028 2.367 1.00 . A A . 12 LYS N 1 1 7 1779 1 1 12 LYS NZ N 2.315 -5.578 8.062 1.00 . A A . 12 LYS NZ 1 1 7 1780 1 1 12 LYS O O 6.946 -2.411 2.185 1.00 . A A . 12 LYS O 1 1 7 1781 1 1 13 GLY C C 7.120 -2.785 -0.715 1.00 . A A . 13 GLY C 1 1 7 1782 1 1 13 GLY CA C 6.286 -3.925 -0.154 1.00 . A A . 13 GLY CA 1 1 7 1783 1 1 13 GLY H H 4.432 -3.757 0.861 1.00 . A A . 13 GLY H 1 1 7 1784 1 1 13 GLY HA2 H 6.953 -4.685 0.223 1.00 . A A . 13 GLY HA2 1 1 7 1785 1 1 13 GLY HA3 H 5.697 -4.349 -0.954 1.00 . A A . 13 GLY HA3 1 1 7 1786 1 1 13 GLY N N 5.380 -3.519 0.927 1.00 . A A . 13 GLY N 1 1 7 1787 1 1 13 GLY O O 8.300 -2.977 -1.025 1.00 . A A . 13 GLY O 1 1 7 1788 1 1 14 ALA C C 7.751 0.406 -0.180 1.00 . A A . 14 ALA C 1 1 7 1789 1 1 14 ALA CA C 7.230 -0.430 -1.352 1.00 . A A . 14 ALA CA 1 1 7 1790 1 1 14 ALA CB C 6.354 0.411 -2.260 1.00 . A A . 14 ALA CB 1 1 7 1791 1 1 14 ALA H H 5.545 -1.527 -0.665 1.00 . A A . 14 ALA H 1 1 7 1792 1 1 14 ALA HA H 8.073 -0.783 -1.930 1.00 . A A . 14 ALA HA 1 1 7 1793 1 1 14 ALA HB1 H 5.333 0.345 -1.923 1.00 . A A . 14 ALA HB1 1 1 7 1794 1 1 14 ALA HB2 H 6.423 0.044 -3.274 1.00 . A A . 14 ALA HB2 1 1 7 1795 1 1 14 ALA HB3 H 6.680 1.440 -2.225 1.00 . A A . 14 ALA HB3 1 1 7 1796 1 1 14 ALA N N 6.506 -1.604 -0.867 1.00 . A A . 14 ALA N 1 1 7 1797 1 1 14 ALA O O 8.846 0.983 -0.263 1.00 . A A . 14 ALA O 1 1 7 1798 1 1 15 ILE C C 8.653 0.687 2.775 1.00 . A A . 15 ILE C 1 1 7 1799 1 1 15 ILE CA C 7.356 1.222 2.127 1.00 . A A . 15 ILE CA 1 1 7 1800 1 1 15 ILE CB C 6.199 1.290 3.188 1.00 . A A . 15 ILE CB 1 1 7 1801 1 1 15 ILE CD1 C 5.063 3.336 2.005 1.00 . A A . 15 ILE CD1 1 1 7 1802 1 1 15 ILE CG1 C 4.908 1.937 2.604 1.00 . A A . 15 ILE CG1 1 1 7 1803 1 1 15 ILE CG2 C 6.630 2.025 4.468 1.00 . A A . 15 ILE CG2 1 1 7 1804 1 1 15 ILE H H 6.108 -0.030 0.927 1.00 . A A . 15 ILE H 1 1 7 1805 1 1 15 ILE HA H 7.550 2.234 1.796 1.00 . A A . 15 ILE HA 1 1 7 1806 1 1 15 ILE HB H 5.970 0.276 3.471 1.00 . A A . 15 ILE HB 1 1 7 1807 1 1 15 ILE HD11 H 5.620 3.273 1.081 1.00 . A A . 15 ILE HD11 1 1 7 1808 1 1 15 ILE HD12 H 5.593 3.969 2.701 1.00 . A A . 15 ILE HD12 1 1 7 1809 1 1 15 ILE HD13 H 4.087 3.755 1.809 1.00 . A A . 15 ILE HD13 1 1 7 1810 1 1 15 ILE HG12 H 4.524 1.298 1.824 1.00 . A A . 15 ILE HG12 1 1 7 1811 1 1 15 ILE HG13 H 4.170 2.000 3.392 1.00 . A A . 15 ILE HG13 1 1 7 1812 1 1 15 ILE HG21 H 7.468 1.511 4.913 1.00 . A A . 15 ILE HG21 1 1 7 1813 1 1 15 ILE HG22 H 5.806 2.044 5.167 1.00 . A A . 15 ILE HG22 1 1 7 1814 1 1 15 ILE HG23 H 6.916 3.038 4.222 1.00 . A A . 15 ILE HG23 1 1 7 1815 1 1 15 ILE N N 6.971 0.452 0.927 1.00 . A A . 15 ILE N 1 1 7 1816 1 1 15 ILE O O 9.424 1.484 3.320 1.00 . A A . 15 ILE O 1 1 7 1817 1 1 16 ILE C C 11.318 -1.063 2.321 1.00 . A A . 16 ILE C 1 1 7 1818 1 1 16 ILE CA C 10.150 -1.182 3.315 1.00 . A A . 16 ILE CA 1 1 7 1819 1 1 16 ILE CB C 10.032 -2.655 3.882 1.00 . A A . 16 ILE CB 1 1 7 1820 1 1 16 ILE CD1 C 9.339 -3.868 1.652 1.00 . A A . 16 ILE CD1 1 1 7 1821 1 1 16 ILE CG1 C 10.302 -3.780 2.827 1.00 . A A . 16 ILE CG1 1 1 7 1822 1 1 16 ILE CG2 C 8.700 -2.877 4.603 1.00 . A A . 16 ILE CG2 1 1 7 1823 1 1 16 ILE H H 8.270 -1.247 2.283 1.00 . A A . 16 ILE H 1 1 7 1824 1 1 16 ILE HA H 10.384 -0.536 4.154 1.00 . A A . 16 ILE HA 1 1 7 1825 1 1 16 ILE HB H 10.796 -2.740 4.645 1.00 . A A . 16 ILE HB 1 1 7 1826 1 1 16 ILE HD11 H 9.671 -4.639 0.972 1.00 . A A . 16 ILE HD11 1 1 7 1827 1 1 16 ILE HD12 H 9.312 -2.921 1.136 1.00 . A A . 16 ILE HD12 1 1 7 1828 1 1 16 ILE HD13 H 8.351 -4.109 2.015 1.00 . A A . 16 ILE HD13 1 1 7 1829 1 1 16 ILE HG12 H 11.288 -3.633 2.416 1.00 . A A . 16 ILE HG12 1 1 7 1830 1 1 16 ILE HG13 H 10.283 -4.735 3.337 1.00 . A A . 16 ILE HG13 1 1 7 1831 1 1 16 ILE HG21 H 8.655 -3.889 4.975 1.00 . A A . 16 ILE HG21 1 1 7 1832 1 1 16 ILE HG22 H 7.885 -2.709 3.915 1.00 . A A . 16 ILE HG22 1 1 7 1833 1 1 16 ILE HG23 H 8.620 -2.186 5.431 1.00 . A A . 16 ILE HG23 1 1 7 1834 1 1 16 ILE N N 8.907 -0.641 2.720 1.00 . A A . 16 ILE N 1 1 7 1835 1 1 16 ILE O O 12.461 -0.824 2.720 1.00 . A A . 16 ILE O 1 1 7 1836 1 1 17 GLY C C 12.460 0.307 -0.276 1.00 . A A . 17 GLY C 1 1 7 1837 1 1 17 GLY CA C 11.995 -1.125 -0.041 1.00 . A A . 17 GLY CA 1 1 7 1838 1 1 17 GLY H H 10.072 -1.432 0.791 1.00 . A A . 17 GLY H 1 1 7 1839 1 1 17 GLY HA2 H 12.851 -1.730 0.219 1.00 . A A . 17 GLY HA2 1 1 7 1840 1 1 17 GLY HA3 H 11.566 -1.507 -0.955 1.00 . A A . 17 GLY HA3 1 1 7 1841 1 1 17 GLY N N 11.002 -1.233 1.024 1.00 . A A . 17 GLY N 1 1 7 1842 1 1 17 GLY O O 13.657 0.552 -0.452 1.00 . A A . 17 GLY O 1 1 7 1843 1 1 18 LEU C C 11.062 3.538 0.530 1.00 . A A . 18 LEU C 1 1 7 1844 1 1 18 LEU CA C 11.795 2.665 -0.493 1.00 . A A . 18 LEU CA 1 1 7 1845 1 1 18 LEU CB C 11.442 3.096 -1.937 1.00 . A A . 18 LEU CB 1 1 7 1846 1 1 18 LEU CD1 C 9.535 3.814 -3.409 1.00 . A A . 18 LEU CD1 1 1 7 1847 1 1 18 LEU CD2 C 9.997 1.381 -3.084 1.00 . A A . 18 LEU CD2 1 1 7 1848 1 1 18 LEU CG C 10.024 2.756 -2.431 1.00 . A A . 18 LEU CG 1 1 7 1849 1 1 18 LEU H H 10.572 0.974 -0.121 1.00 . A A . 18 LEU H 1 1 7 1850 1 1 18 LEU HA H 12.858 2.796 -0.346 1.00 . A A . 18 LEU HA 1 1 7 1851 1 1 18 LEU HB2 H 11.571 4.166 -2.004 1.00 . A A . 18 LEU HB2 1 1 7 1852 1 1 18 LEU HB3 H 12.150 2.628 -2.606 1.00 . A A . 18 LEU HB3 1 1 7 1853 1 1 18 LEU HD11 H 9.499 4.773 -2.913 1.00 . A A . 18 LEU HD11 1 1 7 1854 1 1 18 LEU HD12 H 8.548 3.551 -3.759 1.00 . A A . 18 LEU HD12 1 1 7 1855 1 1 18 LEU HD13 H 10.213 3.867 -4.248 1.00 . A A . 18 LEU HD13 1 1 7 1856 1 1 18 LEU HD21 H 10.668 1.371 -3.931 1.00 . A A . 18 LEU HD21 1 1 7 1857 1 1 18 LEU HD22 H 8.994 1.159 -3.418 1.00 . A A . 18 LEU HD22 1 1 7 1858 1 1 18 LEU HD23 H 10.311 0.635 -2.368 1.00 . A A . 18 LEU HD23 1 1 7 1859 1 1 18 LEU HG H 9.348 2.742 -1.587 1.00 . A A . 18 LEU HG 1 1 7 1860 1 1 18 LEU N N 11.500 1.245 -0.277 1.00 . A A . 18 LEU N 1 1 7 1861 1 1 18 LEU O O 11.748 4.206 1.332 1.00 . A A . 18 LEU O 1 1 7 1862 1 1 18 LEU OXT O 9.812 3.539 0.527 1.00 . A A . 18 LEU OXT 1 1 8 1863 1 1 1 LEU C C -12.502 2.117 2.676 1.00 . A A . 1 LEU C 1 1 8 1864 1 1 1 LEU CA C -12.485 0.664 2.195 1.00 . A A . 1 LEU CA 1 1 8 1865 1 1 1 LEU CB C -13.176 0.552 0.810 1.00 . A A . 1 LEU CB 1 1 8 1866 1 1 1 LEU CD1 C -11.414 -0.866 -0.376 1.00 . A A . 1 LEU CD1 1 1 8 1867 1 1 1 LEU CD2 C -13.431 -1.982 0.615 1.00 . A A . 1 LEU CD2 1 1 8 1868 1 1 1 LEU CG C -12.896 -0.714 -0.048 1.00 . A A . 1 LEU CG 1 1 8 1869 1 1 1 LEU H1 H -12.677 -0.154 4.105 1.00 . A A . 1 LEU H1 1 1 8 1870 1 1 1 LEU H2 H -13.120 -1.209 2.860 1.00 . A A . 1 LEU H2 1 1 8 1871 1 1 1 LEU H3 H -14.149 0.059 3.299 1.00 . A A . 1 LEU H3 1 1 8 1872 1 1 1 LEU HA H -11.456 0.346 2.102 1.00 . A A . 1 LEU HA 1 1 8 1873 1 1 1 LEU HB2 H -14.242 0.607 0.972 1.00 . A A . 1 LEU HB2 1 1 8 1874 1 1 1 LEU HB3 H -12.883 1.414 0.229 1.00 . A A . 1 LEU HB3 1 1 8 1875 1 1 1 LEU HD11 H -10.878 -1.180 0.507 1.00 . A A . 1 LEU HD11 1 1 8 1876 1 1 1 LEU HD12 H -11.023 0.081 -0.716 1.00 . A A . 1 LEU HD12 1 1 8 1877 1 1 1 LEU HD13 H -11.292 -1.606 -1.153 1.00 . A A . 1 LEU HD13 1 1 8 1878 1 1 1 LEU HD21 H -13.394 -2.800 -0.090 1.00 . A A . 1 LEU HD21 1 1 8 1879 1 1 1 LEU HD22 H -14.452 -1.823 0.929 1.00 . A A . 1 LEU HD22 1 1 8 1880 1 1 1 LEU HD23 H -12.824 -2.222 1.476 1.00 . A A . 1 LEU HD23 1 1 8 1881 1 1 1 LEU HG H -13.417 -0.601 -0.989 1.00 . A A . 1 LEU HG 1 1 8 1882 1 1 1 LEU N N -13.154 -0.221 3.183 1.00 . A A . 1 LEU N 1 1 8 1883 1 1 1 LEU O O -13.552 2.771 2.674 1.00 . A A . 1 LEU O 1 1 8 1884 1 1 2 VAL C C -9.996 4.674 2.932 1.00 . A A . 2 VAL C 1 1 8 1885 1 1 2 VAL CA C -11.200 3.985 3.598 1.00 . A A . 2 VAL CA 1 1 8 1886 1 1 2 VAL CB C -11.060 4.067 5.157 1.00 . A A . 2 VAL CB 1 1 8 1887 1 1 2 VAL CG1 C -11.434 5.457 5.668 1.00 . A A . 2 VAL CG1 1 1 8 1888 1 1 2 VAL CG2 C -11.910 3.013 5.867 1.00 . A A . 2 VAL CG2 1 1 8 1889 1 1 2 VAL H H -10.542 2.028 3.098 1.00 . A A . 2 VAL H 1 1 8 1890 1 1 2 VAL HA H -12.097 4.518 3.313 1.00 . A A . 2 VAL HA 1 1 8 1891 1 1 2 VAL HB H -10.025 3.889 5.410 1.00 . A A . 2 VAL HB 1 1 8 1892 1 1 2 VAL HG11 H -10.882 6.204 5.117 1.00 . A A . 2 VAL HG11 1 1 8 1893 1 1 2 VAL HG12 H -11.193 5.532 6.718 1.00 . A A . 2 VAL HG12 1 1 8 1894 1 1 2 VAL HG13 H -12.493 5.619 5.530 1.00 . A A . 2 VAL HG13 1 1 8 1895 1 1 2 VAL HG21 H -11.600 2.029 5.549 1.00 . A A . 2 VAL HG21 1 1 8 1896 1 1 2 VAL HG22 H -12.950 3.161 5.618 1.00 . A A . 2 VAL HG22 1 1 8 1897 1 1 2 VAL HG23 H -11.780 3.106 6.935 1.00 . A A . 2 VAL HG23 1 1 8 1898 1 1 2 VAL N N -11.333 2.607 3.108 1.00 . A A . 2 VAL N 1 1 8 1899 1 1 2 VAL O O -10.171 5.633 2.175 1.00 . A A . 2 VAL O 1 1 8 1900 1 1 3 PHE C C -6.489 3.657 2.380 1.00 . A A . 3 PHE C 1 1 8 1901 1 1 3 PHE CA C -7.542 4.741 2.661 1.00 . A A . 3 PHE CA 1 1 8 1902 1 1 3 PHE CB C -6.951 5.822 3.596 1.00 . A A . 3 PHE CB 1 1 8 1903 1 1 3 PHE CD1 C -5.552 4.767 5.404 1.00 . A A . 3 PHE CD1 1 1 8 1904 1 1 3 PHE CD2 C -7.718 5.579 5.982 1.00 . A A . 3 PHE CD2 1 1 8 1905 1 1 3 PHE CE1 C -5.351 4.360 6.709 1.00 . A A . 3 PHE CE1 1 1 8 1906 1 1 3 PHE CE2 C -7.524 5.175 7.289 1.00 . A A . 3 PHE CE2 1 1 8 1907 1 1 3 PHE CG C -6.736 5.379 5.025 1.00 . A A . 3 PHE CG 1 1 8 1908 1 1 3 PHE CZ C -6.339 4.565 7.654 1.00 . A A . 3 PHE CZ 1 1 8 1909 1 1 3 PHE H H -8.718 3.409 3.829 1.00 . A A . 3 PHE H 1 1 8 1910 1 1 3 PHE HA H -7.801 5.208 1.723 1.00 . A A . 3 PHE HA 1 1 8 1911 1 1 3 PHE HB2 H -5.996 6.136 3.205 1.00 . A A . 3 PHE HB2 1 1 8 1912 1 1 3 PHE HB3 H -7.620 6.671 3.611 1.00 . A A . 3 PHE HB3 1 1 8 1913 1 1 3 PHE HD1 H -4.779 4.607 4.667 1.00 . A A . 3 PHE HD1 1 1 8 1914 1 1 3 PHE HD2 H -8.644 6.055 5.698 1.00 . A A . 3 PHE HD2 1 1 8 1915 1 1 3 PHE HE1 H -4.424 3.885 6.992 1.00 . A A . 3 PHE HE1 1 1 8 1916 1 1 3 PHE HE2 H -8.297 5.336 8.026 1.00 . A A . 3 PHE HE2 1 1 8 1917 1 1 3 PHE HZ H -6.185 4.249 8.675 1.00 . A A . 3 PHE HZ 1 1 8 1918 1 1 3 PHE N N -8.781 4.176 3.222 1.00 . A A . 3 PHE N 1 1 8 1919 1 1 3 PHE O O -5.560 3.878 1.594 1.00 . A A . 3 PHE O 1 1 8 1920 1 1 4 PHE C C -5.575 0.903 1.408 1.00 . A A . 4 PHE C 1 1 8 1921 1 1 4 PHE CA C -5.710 1.358 2.872 1.00 . A A . 4 PHE CA 1 1 8 1922 1 1 4 PHE CB C -6.165 0.184 3.751 1.00 . A A . 4 PHE CB 1 1 8 1923 1 1 4 PHE CD1 C -4.720 -1.838 3.367 1.00 . A A . 4 PHE CD1 1 1 8 1924 1 1 4 PHE CD2 C -4.335 -0.525 5.320 1.00 . A A . 4 PHE CD2 1 1 8 1925 1 1 4 PHE CE1 C -3.698 -2.692 3.734 1.00 . A A . 4 PHE CE1 1 1 8 1926 1 1 4 PHE CE2 C -3.312 -1.376 5.694 1.00 . A A . 4 PHE CE2 1 1 8 1927 1 1 4 PHE CG C -5.050 -0.746 4.155 1.00 . A A . 4 PHE CG 1 1 8 1928 1 1 4 PHE CZ C -2.993 -2.461 4.899 1.00 . A A . 4 PHE CZ 1 1 8 1929 1 1 4 PHE H H -7.421 2.376 3.612 1.00 . A A . 4 PHE H 1 1 8 1930 1 1 4 PHE HA H -4.746 1.693 3.220 1.00 . A A . 4 PHE HA 1 1 8 1931 1 1 4 PHE HB2 H -6.613 0.572 4.653 1.00 . A A . 4 PHE HB2 1 1 8 1932 1 1 4 PHE HB3 H -6.900 -0.395 3.211 1.00 . A A . 4 PHE HB3 1 1 8 1933 1 1 4 PHE HD1 H -5.272 -2.018 2.456 1.00 . A A . 4 PHE HD1 1 1 8 1934 1 1 4 PHE HD2 H -4.583 0.323 5.942 1.00 . A A . 4 PHE HD2 1 1 8 1935 1 1 4 PHE HE1 H -3.451 -3.539 3.112 1.00 . A A . 4 PHE HE1 1 1 8 1936 1 1 4 PHE HE2 H -2.761 -1.193 6.605 1.00 . A A . 4 PHE HE2 1 1 8 1937 1 1 4 PHE HZ H -2.193 -3.127 5.189 1.00 . A A . 4 PHE HZ 1 1 8 1938 1 1 4 PHE N N -6.647 2.485 3.021 1.00 . A A . 4 PHE N 1 1 8 1939 1 1 4 PHE O O -4.458 0.699 0.920 1.00 . A A . 4 PHE O 1 1 8 1940 1 1 5 ALA C C -5.945 1.248 -1.621 1.00 . A A . 5 ALA C 1 1 8 1941 1 1 5 ALA CA C -6.766 0.342 -0.694 1.00 . A A . 5 ALA CA 1 1 8 1942 1 1 5 ALA CB C -8.207 0.275 -1.172 1.00 . A A . 5 ALA CB 1 1 8 1943 1 1 5 ALA H H -7.565 0.991 1.163 1.00 . A A . 5 ALA H 1 1 8 1944 1 1 5 ALA HA H -6.356 -0.657 -0.739 1.00 . A A . 5 ALA HA 1 1 8 1945 1 1 5 ALA HB1 H -8.231 -0.065 -2.197 1.00 . A A . 5 ALA HB1 1 1 8 1946 1 1 5 ALA HB2 H -8.654 1.256 -1.107 1.00 . A A . 5 ALA HB2 1 1 8 1947 1 1 5 ALA HB3 H -8.759 -0.414 -0.551 1.00 . A A . 5 ALA HB3 1 1 8 1948 1 1 5 ALA N N -6.721 0.779 0.713 1.00 . A A . 5 ALA N 1 1 8 1949 1 1 5 ALA O O -5.328 0.767 -2.575 1.00 . A A . 5 ALA O 1 1 8 1950 1 1 6 GLU C C -3.777 3.720 -1.569 1.00 . A A . 6 GLU C 1 1 8 1951 1 1 6 GLU CA C -5.197 3.535 -2.122 1.00 . A A . 6 GLU CA 1 1 8 1952 1 1 6 GLU CB C -5.938 4.889 -2.202 1.00 . A A . 6 GLU CB 1 1 8 1953 1 1 6 GLU CD C -7.117 6.793 -1.018 1.00 . A A . 6 GLU CD 1 1 8 1954 1 1 6 GLU CG C -6.427 5.450 -0.867 1.00 . A A . 6 GLU CG 1 1 8 1955 1 1 6 GLU H H -6.472 2.868 -0.561 1.00 . A A . 6 GLU H 1 1 8 1956 1 1 6 GLU HA H -5.113 3.132 -3.122 1.00 . A A . 6 GLU HA 1 1 8 1957 1 1 6 GLU HB2 H -5.273 5.616 -2.642 1.00 . A A . 6 GLU HB2 1 1 8 1958 1 1 6 GLU HB3 H -6.795 4.770 -2.850 1.00 . A A . 6 GLU HB3 1 1 8 1959 1 1 6 GLU HG2 H -7.126 4.751 -0.433 1.00 . A A . 6 GLU HG2 1 1 8 1960 1 1 6 GLU HG3 H -5.580 5.569 -0.208 1.00 . A A . 6 GLU HG3 1 1 8 1961 1 1 6 GLU N N -5.950 2.555 -1.329 1.00 . A A . 6 GLU N 1 1 8 1962 1 1 6 GLU O O -2.824 3.878 -2.338 1.00 . A A . 6 GLU O 1 1 8 1963 1 1 6 GLU OE1 O -6.423 7.828 -0.944 1.00 . A A . 6 GLU OE1 1 1 8 1964 1 1 6 GLU OE2 O -8.352 6.807 -1.210 1.00 . A A . 6 GLU OE2 1 1 8 1965 1 1 7 ASP C C -1.447 2.621 0.258 1.00 . A A . 7 ASP C 1 1 8 1966 1 1 7 ASP CA C -2.350 3.852 0.444 1.00 . A A . 7 ASP CA 1 1 8 1967 1 1 7 ASP CB C -2.548 4.127 1.936 1.00 . A A . 7 ASP CB 1 1 8 1968 1 1 7 ASP CG C -2.901 5.576 2.216 1.00 . A A . 7 ASP CG 1 1 8 1969 1 1 7 ASP H H -4.454 3.580 0.319 1.00 . A A . 7 ASP H 1 1 8 1970 1 1 7 ASP HA H -1.857 4.704 0.001 1.00 . A A . 7 ASP HA 1 1 8 1971 1 1 7 ASP HB2 H -3.346 3.504 2.308 1.00 . A A . 7 ASP HB2 1 1 8 1972 1 1 7 ASP HB3 H -1.635 3.890 2.463 1.00 . A A . 7 ASP HB3 1 1 8 1973 1 1 7 ASP N N -3.650 3.700 -0.229 1.00 . A A . 7 ASP N 1 1 8 1974 1 1 7 ASP O O -0.218 2.752 0.234 1.00 . A A . 7 ASP O 1 1 8 1975 1 1 7 ASP OD1 O -1.984 6.424 2.201 1.00 . A A . 7 ASP OD1 1 1 8 1976 1 1 7 ASP OD2 O -4.094 5.864 2.449 1.00 . A A . 7 ASP OD2 1 1 8 1977 1 1 8 VAL C C -0.485 0.160 -1.370 1.00 . A A . 8 VAL C 1 1 8 1978 1 1 8 VAL CA C -1.324 0.166 -0.069 1.00 . A A . 8 VAL CA 1 1 8 1979 1 1 8 VAL CB C -2.291 -1.068 -0.013 1.00 . A A . 8 VAL CB 1 1 8 1980 1 1 8 VAL CG1 C -3.227 -1.139 -1.222 1.00 . A A . 8 VAL CG1 1 1 8 1981 1 1 8 VAL CG2 C -1.522 -2.378 0.152 1.00 . A A . 8 VAL CG2 1 1 8 1982 1 1 8 VAL H H -3.046 1.404 0.118 1.00 . A A . 8 VAL H 1 1 8 1983 1 1 8 VAL HA H -0.641 0.081 0.766 1.00 . A A . 8 VAL HA 1 1 8 1984 1 1 8 VAL HB H -2.914 -0.948 0.863 1.00 . A A . 8 VAL HB 1 1 8 1985 1 1 8 VAL HG11 H -3.870 -2.001 -1.130 1.00 . A A . 8 VAL HG11 1 1 8 1986 1 1 8 VAL HG12 H -2.642 -1.222 -2.126 1.00 . A A . 8 VAL HG12 1 1 8 1987 1 1 8 VAL HG13 H -3.830 -0.243 -1.264 1.00 . A A . 8 VAL HG13 1 1 8 1988 1 1 8 VAL HG21 H -2.214 -3.207 0.137 1.00 . A A . 8 VAL HG21 1 1 8 1989 1 1 8 VAL HG22 H -0.994 -2.367 1.093 1.00 . A A . 8 VAL HG22 1 1 8 1990 1 1 8 VAL HG23 H -0.814 -2.483 -0.656 1.00 . A A . 8 VAL HG23 1 1 8 1991 1 1 8 VAL N N -2.065 1.431 0.110 1.00 . A A . 8 VAL N 1 1 8 1992 1 1 8 VAL O O 0.548 -0.511 -1.443 1.00 . A A . 8 VAL O 1 1 8 1993 1 1 9 GLY C C 1.061 1.773 -3.604 1.00 . A A . 9 GLY C 1 1 8 1994 1 1 9 GLY CA C -0.255 1.000 -3.664 1.00 . A A . 9 GLY CA 1 1 8 1995 1 1 9 GLY H H -1.780 1.419 -2.248 1.00 . A A . 9 GLY H 1 1 8 1996 1 1 9 GLY HA2 H -0.048 -0.001 -4.011 1.00 . A A . 9 GLY HA2 1 1 8 1997 1 1 9 GLY HA3 H -0.907 1.484 -4.376 1.00 . A A . 9 GLY HA3 1 1 8 1998 1 1 9 GLY N N -0.950 0.913 -2.379 1.00 . A A . 9 GLY N 1 1 8 1999 1 1 9 GLY O O 1.850 1.724 -4.554 1.00 . A A . 9 GLY O 1 1 8 2000 1 1 10 SER C C 3.176 2.976 -0.958 1.00 . A A . 10 SER C 1 1 8 2001 1 1 10 SER CA C 2.517 3.268 -2.311 1.00 . A A . 10 SER CA 1 1 8 2002 1 1 10 SER CB C 2.209 4.766 -2.444 1.00 . A A . 10 SER CB 1 1 8 2003 1 1 10 SER H H 0.626 2.474 -1.774 1.00 . A A . 10 SER H 1 1 8 2004 1 1 10 SER HA H 3.204 2.984 -3.095 1.00 . A A . 10 SER HA 1 1 8 2005 1 1 10 SER HB2 H 1.645 4.937 -3.349 1.00 . A A . 10 SER HB2 1 1 8 2006 1 1 10 SER HB3 H 1.627 5.088 -1.593 1.00 . A A . 10 SER HB3 1 1 8 2007 1 1 10 SER HG H 4.086 5.101 -1.987 1.00 . A A . 10 SER HG 1 1 8 2008 1 1 10 SER N N 1.295 2.482 -2.490 1.00 . A A . 10 SER N 1 1 8 2009 1 1 10 SER O O 4.371 2.664 -0.906 1.00 . A A . 10 SER O 1 1 8 2010 1 1 10 SER OG O 3.400 5.534 -2.499 1.00 . A A . 10 SER OG 1 1 8 2011 1 1 11 ASN C C 3.521 1.421 1.631 1.00 . A A . 11 ASN C 1 1 8 2012 1 1 11 ASN CA C 2.882 2.811 1.499 1.00 . A A . 11 ASN CA 1 1 8 2013 1 1 11 ASN CB C 1.747 2.982 2.522 1.00 . A A . 11 ASN CB 1 1 8 2014 1 1 11 ASN CG C 2.250 3.370 3.901 1.00 . A A . 11 ASN CG 1 1 8 2015 1 1 11 ASN H H 1.430 3.260 0.009 1.00 . A A . 11 ASN H 1 1 8 2016 1 1 11 ASN HA H 3.640 3.554 1.698 1.00 . A A . 11 ASN HA 1 1 8 2017 1 1 11 ASN HB2 H 1.075 3.753 2.176 1.00 . A A . 11 ASN HB2 1 1 8 2018 1 1 11 ASN HB3 H 1.205 2.051 2.605 1.00 . A A . 11 ASN HB3 1 1 8 2019 1 1 11 ASN HD21 H 2.087 5.298 3.446 1.00 . A A . 11 ASN HD21 1 1 8 2020 1 1 11 ASN HD22 H 2.664 4.949 5.036 1.00 . A A . 11 ASN HD22 1 1 8 2021 1 1 11 ASN N N 2.380 3.047 0.132 1.00 . A A . 11 ASN N 1 1 8 2022 1 1 11 ASN ND2 N 2.343 4.670 4.153 1.00 . A A . 11 ASN ND2 1 1 8 2023 1 1 11 ASN O O 4.669 1.305 2.081 1.00 . A A . 11 ASN O 1 1 8 2024 1 1 11 ASN OD1 O 2.548 2.510 4.731 1.00 . A A . 11 ASN OD1 1 1 8 2025 1 1 12 LYS C C 4.542 -1.144 0.396 1.00 . A A . 12 LYS C 1 1 8 2026 1 1 12 LYS CA C 3.267 -1.008 1.242 1.00 . A A . 12 LYS CA 1 1 8 2027 1 1 12 LYS CB C 2.171 -1.970 0.743 1.00 . A A . 12 LYS CB 1 1 8 2028 1 1 12 LYS CD C 1.591 -3.490 2.686 1.00 . A A . 12 LYS CD 1 1 8 2029 1 1 12 LYS CE C 1.718 -4.890 3.270 1.00 . A A . 12 LYS CE 1 1 8 2030 1 1 12 LYS CG C 2.261 -3.385 1.318 1.00 . A A . 12 LYS CG 1 1 8 2031 1 1 12 LYS H H 1.887 0.554 0.841 1.00 . A A . 12 LYS H 1 1 8 2032 1 1 12 LYS HA H 3.501 -1.246 2.267 1.00 . A A . 12 LYS HA 1 1 8 2033 1 1 12 LYS HB2 H 1.207 -1.562 1.007 1.00 . A A . 12 LYS HB2 1 1 8 2034 1 1 12 LYS HB3 H 2.237 -2.039 -0.333 1.00 . A A . 12 LYS HB3 1 1 8 2035 1 1 12 LYS HD2 H 2.058 -2.788 3.359 1.00 . A A . 12 LYS HD2 1 1 8 2036 1 1 12 LYS HD3 H 0.544 -3.248 2.580 1.00 . A A . 12 LYS HD3 1 1 8 2037 1 1 12 LYS HE2 H 2.739 -5.221 3.157 1.00 . A A . 12 LYS HE2 1 1 8 2038 1 1 12 LYS HE3 H 1.468 -4.851 4.320 1.00 . A A . 12 LYS HE3 1 1 8 2039 1 1 12 LYS HG2 H 1.774 -4.071 0.641 1.00 . A A . 12 LYS HG2 1 1 8 2040 1 1 12 LYS HG3 H 3.302 -3.655 1.417 1.00 . A A . 12 LYS HG3 1 1 8 2041 1 1 12 LYS HZ1 H 1.038 -5.914 1.578 1.00 . A A . 12 LYS HZ1 1 1 8 2042 1 1 12 LYS HZ2 H -0.175 -5.575 2.708 1.00 . A A . 12 LYS HZ2 1 1 8 2043 1 1 12 LYS HZ3 H 0.938 -6.812 3.008 1.00 . A A . 12 LYS HZ3 1 1 8 2044 1 1 12 LYS N N 2.783 0.380 1.199 1.00 . A A . 12 LYS N 1 1 8 2045 1 1 12 LYS NZ N 0.816 -5.866 2.594 1.00 . A A . 12 LYS NZ 1 1 8 2046 1 1 12 LYS O O 5.582 -1.606 0.893 1.00 . A A . 12 LYS O 1 1 8 2047 1 1 13 GLY C C 6.771 0.085 -1.291 1.00 . A A . 13 GLY C 1 1 8 2048 1 1 13 GLY CA C 5.578 -0.710 -1.798 1.00 . A A . 13 GLY CA 1 1 8 2049 1 1 13 GLY H H 3.595 -0.307 -1.170 1.00 . A A . 13 GLY H 1 1 8 2050 1 1 13 GLY HA2 H 5.878 -1.735 -1.950 1.00 . A A . 13 GLY HA2 1 1 8 2051 1 1 13 GLY HA3 H 5.261 -0.296 -2.743 1.00 . A A . 13 GLY HA3 1 1 8 2052 1 1 13 GLY N N 4.451 -0.679 -0.868 1.00 . A A . 13 GLY N 1 1 8 2053 1 1 13 GLY O O 7.921 -0.262 -1.577 1.00 . A A . 13 GLY O 1 1 8 2054 1 1 14 ALA C C 8.149 1.336 1.289 1.00 . A A . 14 ALA C 1 1 8 2055 1 1 14 ALA CA C 7.528 2.004 0.055 1.00 . A A . 14 ALA CA 1 1 8 2056 1 1 14 ALA CB C 6.968 3.373 0.419 1.00 . A A . 14 ALA CB 1 1 8 2057 1 1 14 ALA H H 5.543 1.397 -0.380 1.00 . A A . 14 ALA H 1 1 8 2058 1 1 14 ALA HA H 8.297 2.145 -0.691 1.00 . A A . 14 ALA HA 1 1 8 2059 1 1 14 ALA HB1 H 6.207 3.261 1.176 1.00 . A A . 14 ALA HB1 1 1 8 2060 1 1 14 ALA HB2 H 6.538 3.831 -0.459 1.00 . A A . 14 ALA HB2 1 1 8 2061 1 1 14 ALA HB3 H 7.763 3.999 0.797 1.00 . A A . 14 ALA HB3 1 1 8 2062 1 1 14 ALA N N 6.485 1.160 -0.532 1.00 . A A . 14 ALA N 1 1 8 2063 1 1 14 ALA O O 9.380 1.303 1.427 1.00 . A A . 14 ALA O 1 1 8 2064 1 1 15 ILE C C 8.467 -1.229 3.094 1.00 . A A . 15 ILE C 1 1 8 2065 1 1 15 ILE CA C 7.764 0.103 3.397 1.00 . A A . 15 ILE CA 1 1 8 2066 1 1 15 ILE CB C 6.649 -0.119 4.469 1.00 . A A . 15 ILE CB 1 1 8 2067 1 1 15 ILE CD1 C 4.961 -2.008 4.802 1.00 . A A . 15 ILE CD1 1 1 8 2068 1 1 15 ILE CG1 C 5.436 -0.879 3.909 1.00 . A A . 15 ILE CG1 1 1 8 2069 1 1 15 ILE CG2 C 6.208 1.218 5.056 1.00 . A A . 15 ILE CG2 1 1 8 2070 1 1 15 ILE H H 6.325 0.818 1.992 1.00 . A A . 15 ILE H 1 1 8 2071 1 1 15 ILE HA H 8.502 0.762 3.838 1.00 . A A . 15 ILE HA 1 1 8 2072 1 1 15 ILE HB H 7.080 -0.697 5.272 1.00 . A A . 15 ILE HB 1 1 8 2073 1 1 15 ILE HD11 H 4.598 -1.600 5.734 1.00 . A A . 15 ILE HD11 1 1 8 2074 1 1 15 ILE HD12 H 5.782 -2.681 4.998 1.00 . A A . 15 ILE HD12 1 1 8 2075 1 1 15 ILE HD13 H 4.165 -2.544 4.309 1.00 . A A . 15 ILE HD13 1 1 8 2076 1 1 15 ILE HG12 H 4.617 -0.187 3.788 1.00 . A A . 15 ILE HG12 1 1 8 2077 1 1 15 ILE HG13 H 5.696 -1.299 2.948 1.00 . A A . 15 ILE HG13 1 1 8 2078 1 1 15 ILE HG21 H 7.053 1.704 5.520 1.00 . A A . 15 ILE HG21 1 1 8 2079 1 1 15 ILE HG22 H 5.437 1.049 5.794 1.00 . A A . 15 ILE HG22 1 1 8 2080 1 1 15 ILE HG23 H 5.819 1.846 4.267 1.00 . A A . 15 ILE HG23 1 1 8 2081 1 1 15 ILE N N 7.289 0.774 2.171 1.00 . A A . 15 ILE N 1 1 8 2082 1 1 15 ILE O O 9.414 -1.595 3.796 1.00 . A A . 15 ILE O 1 1 8 2083 1 1 16 ILE C C 10.009 -2.969 1.007 1.00 . A A . 16 ILE C 1 1 8 2084 1 1 16 ILE CA C 8.645 -3.231 1.669 1.00 . A A . 16 ILE CA 1 1 8 2085 1 1 16 ILE CB C 7.758 -4.135 0.746 1.00 . A A . 16 ILE CB 1 1 8 2086 1 1 16 ILE CD1 C 8.166 -3.801 -1.754 1.00 . A A . 16 ILE CD1 1 1 8 2087 1 1 16 ILE CG1 C 7.329 -3.425 -0.550 1.00 . A A . 16 ILE CG1 1 1 8 2088 1 1 16 ILE CG2 C 6.532 -4.629 1.502 1.00 . A A . 16 ILE CG2 1 1 8 2089 1 1 16 ILE H H 7.227 -1.632 1.542 1.00 . A A . 16 ILE H 1 1 8 2090 1 1 16 ILE HA H 8.825 -3.776 2.588 1.00 . A A . 16 ILE HA 1 1 8 2091 1 1 16 ILE HB H 8.346 -5.004 0.484 1.00 . A A . 16 ILE HB 1 1 8 2092 1 1 16 ILE HD11 H 7.805 -3.272 -2.624 1.00 . A A . 16 ILE HD11 1 1 8 2093 1 1 16 ILE HD12 H 8.094 -4.865 -1.925 1.00 . A A . 16 ILE HD12 1 1 8 2094 1 1 16 ILE HD13 H 9.197 -3.534 -1.574 1.00 . A A . 16 ILE HD13 1 1 8 2095 1 1 16 ILE HG12 H 6.302 -3.680 -0.770 1.00 . A A . 16 ILE HG12 1 1 8 2096 1 1 16 ILE HG13 H 7.409 -2.357 -0.410 1.00 . A A . 16 ILE HG13 1 1 8 2097 1 1 16 ILE HG21 H 5.949 -3.782 1.835 1.00 . A A . 16 ILE HG21 1 1 8 2098 1 1 16 ILE HG22 H 6.845 -5.209 2.357 1.00 . A A . 16 ILE HG22 1 1 8 2099 1 1 16 ILE HG23 H 5.930 -5.244 0.849 1.00 . A A . 16 ILE HG23 1 1 8 2100 1 1 16 ILE N N 8.004 -1.955 2.051 1.00 . A A . 16 ILE N 1 1 8 2101 1 1 16 ILE O O 11.000 -3.637 1.318 1.00 . A A . 16 ILE O 1 1 8 2102 1 1 17 GLY C C 12.235 -0.851 0.300 1.00 . A A . 17 GLY C 1 1 8 2103 1 1 17 GLY CA C 11.252 -1.587 -0.602 1.00 . A A . 17 GLY CA 1 1 8 2104 1 1 17 GLY H H 9.193 -1.514 -0.111 1.00 . A A . 17 GLY H 1 1 8 2105 1 1 17 GLY HA2 H 11.733 -2.472 -0.990 1.00 . A A . 17 GLY HA2 1 1 8 2106 1 1 17 GLY HA3 H 10.988 -0.943 -1.428 1.00 . A A . 17 GLY HA3 1 1 8 2107 1 1 17 GLY N N 10.029 -1.982 0.094 1.00 . A A . 17 GLY N 1 1 8 2108 1 1 17 GLY O O 13.437 -1.128 0.267 1.00 . A A . 17 GLY O 1 1 8 2109 1 1 18 LEU C C 12.067 0.688 3.464 1.00 . A A . 18 LEU C 1 1 8 2110 1 1 18 LEU CA C 12.532 0.876 2.021 1.00 . A A . 18 LEU CA 1 1 8 2111 1 1 18 LEU CB C 12.490 2.364 1.637 1.00 . A A . 18 LEU CB 1 1 8 2112 1 1 18 LEU CD1 C 12.486 3.948 -0.310 1.00 . A A . 18 LEU CD1 1 1 8 2113 1 1 18 LEU CD2 C 14.644 2.971 0.480 1.00 . A A . 18 LEU CD2 1 1 8 2114 1 1 18 LEU CG C 13.151 2.724 0.299 1.00 . A A . 18 LEU CG 1 1 8 2115 1 1 18 LEU H H 10.743 0.248 1.077 1.00 . A A . 18 LEU H 1 1 8 2116 1 1 18 LEU HA H 13.548 0.522 1.937 1.00 . A A . 18 LEU HA 1 1 8 2117 1 1 18 LEU HB2 H 11.456 2.673 1.597 1.00 . A A . 18 LEU HB2 1 1 8 2118 1 1 18 LEU HB3 H 12.983 2.927 2.417 1.00 . A A . 18 LEU HB3 1 1 8 2119 1 1 18 LEU HD11 H 11.447 3.732 -0.511 1.00 . A A . 18 LEU HD11 1 1 8 2120 1 1 18 LEU HD12 H 12.984 4.208 -1.232 1.00 . A A . 18 LEU HD12 1 1 8 2121 1 1 18 LEU HD13 H 12.554 4.776 0.381 1.00 . A A . 18 LEU HD13 1 1 8 2122 1 1 18 LEU HD21 H 15.086 3.223 -0.474 1.00 . A A . 18 LEU HD21 1 1 8 2123 1 1 18 LEU HD22 H 15.112 2.079 0.869 1.00 . A A . 18 LEU HD22 1 1 8 2124 1 1 18 LEU HD23 H 14.794 3.785 1.173 1.00 . A A . 18 LEU HD23 1 1 8 2125 1 1 18 LEU HG H 13.027 1.899 -0.389 1.00 . A A . 18 LEU HG 1 1 8 2126 1 1 18 LEU N N 11.710 0.087 1.102 1.00 . A A . 18 LEU N 1 1 8 2127 1 1 18 LEU O O 12.879 0.214 4.287 1.00 . A A . 18 LEU O 1 1 8 2128 1 1 18 LEU OXT O 10.893 1.007 3.760 1.00 . A A . 18 LEU OXT 1 1 9 2129 1 1 1 LEU C C 0.934 11.101 0.269 1.00 . A A . 1 LEU C 1 1 9 2130 1 1 1 LEU CA C 1.009 12.438 -0.486 1.00 . A A . 1 LEU CA 1 1 9 2131 1 1 1 LEU CB C 2.295 13.207 -0.103 1.00 . A A . 1 LEU CB 1 1 9 2132 1 1 1 LEU CD1 C 3.746 13.846 1.847 1.00 . A A . 1 LEU CD1 1 1 9 2133 1 1 1 LEU CD2 C 1.774 15.261 1.262 1.00 . A A . 1 LEU CD2 1 1 9 2134 1 1 1 LEU CG C 2.327 13.842 1.299 1.00 . A A . 1 LEU CG 1 1 9 2135 1 1 1 LEU H1 H -1.053 12.778 -0.568 1.00 . A A . 1 LEU H1 1 1 9 2136 1 1 1 LEU H2 H -0.121 14.175 -0.769 1.00 . A A . 1 LEU H2 1 1 9 2137 1 1 1 LEU H3 H -0.293 13.488 0.768 1.00 . A A . 1 LEU H3 1 1 9 2138 1 1 1 LEU HA H 1.045 12.219 -1.545 1.00 . A A . 1 LEU HA 1 1 9 2139 1 1 1 LEU HB2 H 3.125 12.522 -0.177 1.00 . A A . 1 LEU HB2 1 1 9 2140 1 1 1 LEU HB3 H 2.439 13.993 -0.829 1.00 . A A . 1 LEU HB3 1 1 9 2141 1 1 1 LEU HD11 H 4.389 14.398 1.178 1.00 . A A . 1 LEU HD11 1 1 9 2142 1 1 1 LEU HD12 H 4.102 12.829 1.931 1.00 . A A . 1 LEU HD12 1 1 9 2143 1 1 1 LEU HD13 H 3.754 14.311 2.822 1.00 . A A . 1 LEU HD13 1 1 9 2144 1 1 1 LEU HD21 H 1.807 15.687 2.254 1.00 . A A . 1 LEU HD21 1 1 9 2145 1 1 1 LEU HD22 H 0.752 15.240 0.913 1.00 . A A . 1 LEU HD22 1 1 9 2146 1 1 1 LEU HD23 H 2.370 15.863 0.591 1.00 . A A . 1 LEU HD23 1 1 9 2147 1 1 1 LEU HG H 1.712 13.258 1.968 1.00 . A A . 1 LEU HG 1 1 9 2148 1 1 1 LEU N N -0.199 13.278 -0.247 1.00 . A A . 1 LEU N 1 1 9 2149 1 1 1 LEU O O 1.795 10.233 0.088 1.00 . A A . 1 LEU O 1 1 9 2150 1 1 2 VAL C C -1.748 9.210 1.720 1.00 . A A . 2 VAL C 1 1 9 2151 1 1 2 VAL CA C -0.298 9.717 1.892 1.00 . A A . 2 VAL CA 1 1 9 2152 1 1 2 VAL CB C 0.032 9.918 3.412 1.00 . A A . 2 VAL CB 1 1 9 2153 1 1 2 VAL CG1 C 0.580 8.630 4.019 1.00 . A A . 2 VAL CG1 1 1 9 2154 1 1 2 VAL CG2 C 1.014 11.064 3.652 1.00 . A A . 2 VAL CG2 1 1 9 2155 1 1 2 VAL H H -0.750 11.672 1.200 1.00 . A A . 2 VAL H 1 1 9 2156 1 1 2 VAL HA H 0.376 8.968 1.495 1.00 . A A . 2 VAL HA 1 1 9 2157 1 1 2 VAL HB H -0.891 10.155 3.923 1.00 . A A . 2 VAL HB 1 1 9 2158 1 1 2 VAL HG11 H -0.155 7.845 3.921 1.00 . A A . 2 VAL HG11 1 1 9 2159 1 1 2 VAL HG12 H 0.799 8.790 5.064 1.00 . A A . 2 VAL HG12 1 1 9 2160 1 1 2 VAL HG13 H 1.483 8.344 3.502 1.00 . A A . 2 VAL HG13 1 1 9 2161 1 1 2 VAL HG21 H 1.363 11.029 4.674 1.00 . A A . 2 VAL HG21 1 1 9 2162 1 1 2 VAL HG22 H 0.517 12.005 3.474 1.00 . A A . 2 VAL HG22 1 1 9 2163 1 1 2 VAL HG23 H 1.853 10.966 2.980 1.00 . A A . 2 VAL HG23 1 1 9 2164 1 1 2 VAL N N -0.101 10.944 1.107 1.00 . A A . 2 VAL N 1 1 9 2165 1 1 2 VAL O O -2.313 9.318 0.629 1.00 . A A . 2 VAL O 1 1 9 2166 1 1 3 PHE C C -3.779 6.683 2.293 1.00 . A A . 3 PHE C 1 1 9 2167 1 1 3 PHE CA C -3.716 8.120 2.859 1.00 . A A . 3 PHE CA 1 1 9 2168 1 1 3 PHE CB C -4.744 9.055 2.170 1.00 . A A . 3 PHE CB 1 1 9 2169 1 1 3 PHE CD1 C -6.399 9.718 3.949 1.00 . A A . 3 PHE CD1 1 1 9 2170 1 1 3 PHE CD2 C -7.141 8.292 2.184 1.00 . A A . 3 PHE CD2 1 1 9 2171 1 1 3 PHE CE1 C -7.663 9.689 4.506 1.00 . A A . 3 PHE CE1 1 1 9 2172 1 1 3 PHE CE2 C -8.406 8.260 2.739 1.00 . A A . 3 PHE CE2 1 1 9 2173 1 1 3 PHE CG C -6.122 9.019 2.781 1.00 . A A . 3 PHE CG 1 1 9 2174 1 1 3 PHE CZ C -8.668 8.959 3.901 1.00 . A A . 3 PHE CZ 1 1 9 2175 1 1 3 PHE H H -1.807 8.627 3.637 1.00 . A A . 3 PHE H 1 1 9 2176 1 1 3 PHE HA H -3.954 8.064 3.910 1.00 . A A . 3 PHE HA 1 1 9 2177 1 1 3 PHE HB2 H -4.387 10.072 2.228 1.00 . A A . 3 PHE HB2 1 1 9 2178 1 1 3 PHE HB3 H -4.833 8.772 1.132 1.00 . A A . 3 PHE HB3 1 1 9 2179 1 1 3 PHE HD1 H -5.615 10.289 4.423 1.00 . A A . 3 PHE HD1 1 1 9 2180 1 1 3 PHE HD2 H -6.938 7.743 1.278 1.00 . A A . 3 PHE HD2 1 1 9 2181 1 1 3 PHE HE1 H -7.866 10.237 5.415 1.00 . A A . 3 PHE HE1 1 1 9 2182 1 1 3 PHE HE2 H -9.190 7.690 2.264 1.00 . A A . 3 PHE HE2 1 1 9 2183 1 1 3 PHE HZ H -9.656 8.936 4.336 1.00 . A A . 3 PHE HZ 1 1 9 2184 1 1 3 PHE N N -2.335 8.665 2.812 1.00 . A A . 3 PHE N 1 1 9 2185 1 1 3 PHE O O -2.747 6.135 1.911 1.00 . A A . 3 PHE O 1 1 9 2186 1 1 4 PHE C C -4.671 4.474 0.305 1.00 . A A . 4 PHE C 1 1 9 2187 1 1 4 PHE CA C -5.171 4.695 1.745 1.00 . A A . 4 PHE CA 1 1 9 2188 1 1 4 PHE CB C -6.647 4.285 1.857 1.00 . A A . 4 PHE CB 1 1 9 2189 1 1 4 PHE CD1 C -7.036 2.901 3.918 1.00 . A A . 4 PHE CD1 1 1 9 2190 1 1 4 PHE CD2 C -7.672 5.200 3.960 1.00 . A A . 4 PHE CD2 1 1 9 2191 1 1 4 PHE CE1 C -7.478 2.753 5.219 1.00 . A A . 4 PHE CE1 1 1 9 2192 1 1 4 PHE CE2 C -8.115 5.058 5.261 1.00 . A A . 4 PHE CE2 1 1 9 2193 1 1 4 PHE CG C -7.128 4.126 3.274 1.00 . A A . 4 PHE CG 1 1 9 2194 1 1 4 PHE CZ C -8.018 3.833 5.891 1.00 . A A . 4 PHE CZ 1 1 9 2195 1 1 4 PHE H H -5.805 6.595 2.433 1.00 . A A . 4 PHE H 1 1 9 2196 1 1 4 PHE HA H -4.598 4.067 2.409 1.00 . A A . 4 PHE HA 1 1 9 2197 1 1 4 PHE HB2 H -7.259 5.037 1.384 1.00 . A A . 4 PHE HB2 1 1 9 2198 1 1 4 PHE HB3 H -6.789 3.341 1.350 1.00 . A A . 4 PHE HB3 1 1 9 2199 1 1 4 PHE HD1 H -6.614 2.058 3.394 1.00 . A A . 4 PHE HD1 1 1 9 2200 1 1 4 PHE HD2 H -7.749 6.159 3.468 1.00 . A A . 4 PHE HD2 1 1 9 2201 1 1 4 PHE HE1 H -7.401 1.794 5.711 1.00 . A A . 4 PHE HE1 1 1 9 2202 1 1 4 PHE HE2 H -8.537 5.903 5.784 1.00 . A A . 4 PHE HE2 1 1 9 2203 1 1 4 PHE HZ H -8.364 3.718 6.908 1.00 . A A . 4 PHE HZ 1 1 9 2204 1 1 4 PHE N N -4.997 6.083 2.209 1.00 . A A . 4 PHE N 1 1 9 2205 1 1 4 PHE O O -3.772 3.652 0.073 1.00 . A A . 4 PHE O 1 1 9 2206 1 1 5 ALA C C -3.402 5.296 -2.374 1.00 . A A . 5 ALA C 1 1 9 2207 1 1 5 ALA CA C -4.901 5.145 -2.079 1.00 . A A . 5 ALA CA 1 1 9 2208 1 1 5 ALA CB C -5.689 6.182 -2.864 1.00 . A A . 5 ALA CB 1 1 9 2209 1 1 5 ALA H H -5.905 5.905 -0.369 1.00 . A A . 5 ALA H 1 1 9 2210 1 1 5 ALA HA H -5.219 4.170 -2.419 1.00 . A A . 5 ALA HA 1 1 9 2211 1 1 5 ALA HB1 H -5.367 7.172 -2.577 1.00 . A A . 5 ALA HB1 1 1 9 2212 1 1 5 ALA HB2 H -6.742 6.070 -2.652 1.00 . A A . 5 ALA HB2 1 1 9 2213 1 1 5 ALA HB3 H -5.517 6.040 -3.921 1.00 . A A . 5 ALA HB3 1 1 9 2214 1 1 5 ALA N N -5.237 5.244 -0.645 1.00 . A A . 5 ALA N 1 1 9 2215 1 1 5 ALA O O -2.918 4.786 -3.390 1.00 . A A . 5 ALA O 1 1 9 2216 1 1 6 GLU C C -0.426 5.260 -0.779 1.00 . A A . 6 GLU C 1 1 9 2217 1 1 6 GLU CA C -1.244 6.200 -1.667 1.00 . A A . 6 GLU CA 1 1 9 2218 1 1 6 GLU CB C -0.870 7.660 -1.400 1.00 . A A . 6 GLU CB 1 1 9 2219 1 1 6 GLU CD C -0.985 10.056 -2.212 1.00 . A A . 6 GLU CD 1 1 9 2220 1 1 6 GLU CG C -1.324 8.609 -2.502 1.00 . A A . 6 GLU CG 1 1 9 2221 1 1 6 GLU H H -3.125 6.370 -0.705 1.00 . A A . 6 GLU H 1 1 9 2222 1 1 6 GLU HA H -1.013 5.973 -2.697 1.00 . A A . 6 GLU HA 1 1 9 2223 1 1 6 GLU HB2 H -1.326 7.974 -0.472 1.00 . A A . 6 GLU HB2 1 1 9 2224 1 1 6 GLU HB3 H 0.203 7.735 -1.308 1.00 . A A . 6 GLU HB3 1 1 9 2225 1 1 6 GLU HG2 H -0.843 8.322 -3.425 1.00 . A A . 6 GLU HG2 1 1 9 2226 1 1 6 GLU HG3 H -2.396 8.522 -2.614 1.00 . A A . 6 GLU HG3 1 1 9 2227 1 1 6 GLU N N -2.681 5.991 -1.490 1.00 . A A . 6 GLU N 1 1 9 2228 1 1 6 GLU O O 0.588 4.720 -1.231 1.00 . A A . 6 GLU O 1 1 9 2229 1 1 6 GLU OE1 O -1.801 10.738 -1.557 1.00 . A A . 6 GLU OE1 1 1 9 2230 1 1 6 GLU OE2 O 0.098 10.509 -2.640 1.00 . A A . 6 GLU OE2 1 1 9 2231 1 1 7 ASP C C -0.311 2.679 1.006 1.00 . A A . 7 ASP C 1 1 9 2232 1 1 7 ASP CA C -0.156 4.159 1.412 1.00 . A A . 7 ASP CA 1 1 9 2233 1 1 7 ASP CB C -0.658 4.360 2.847 1.00 . A A . 7 ASP CB 1 1 9 2234 1 1 7 ASP CG C 0.390 4.014 3.892 1.00 . A A . 7 ASP CG 1 1 9 2235 1 1 7 ASP H H -1.665 5.545 0.800 1.00 . A A . 7 ASP H 1 1 9 2236 1 1 7 ASP HA H 0.892 4.417 1.374 1.00 . A A . 7 ASP HA 1 1 9 2237 1 1 7 ASP HB2 H -0.941 5.393 2.980 1.00 . A A . 7 ASP HB2 1 1 9 2238 1 1 7 ASP HB3 H -1.522 3.731 3.009 1.00 . A A . 7 ASP HB3 1 1 9 2239 1 1 7 ASP N N -0.863 5.061 0.482 1.00 . A A . 7 ASP N 1 1 9 2240 1 1 7 ASP O O 0.611 1.878 1.210 1.00 . A A . 7 ASP O 1 1 9 2241 1 1 7 ASP OD1 O 0.439 2.842 4.319 1.00 . A A . 7 ASP OD1 1 1 9 2242 1 1 7 ASP OD2 O 1.160 4.917 4.282 1.00 . A A . 7 ASP OD2 1 1 9 2243 1 1 8 VAL C C -1.089 0.645 -1.376 1.00 . A A . 8 VAL C 1 1 9 2244 1 1 8 VAL CA C -1.752 0.949 -0.020 1.00 . A A . 8 VAL CA 1 1 9 2245 1 1 8 VAL CB C -3.289 0.661 -0.082 1.00 . A A . 8 VAL CB 1 1 9 2246 1 1 8 VAL CG1 C -3.587 -0.777 -0.512 1.00 . A A . 8 VAL CG1 1 1 9 2247 1 1 8 VAL CG2 C -3.949 0.930 1.268 1.00 . A A . 8 VAL CG2 1 1 9 2248 1 1 8 VAL H H -2.130 3.030 0.217 1.00 . A A . 8 VAL H 1 1 9 2249 1 1 8 VAL HA H -1.320 0.291 0.722 1.00 . A A . 8 VAL HA 1 1 9 2250 1 1 8 VAL HB H -3.730 1.325 -0.809 1.00 . A A . 8 VAL HB 1 1 9 2251 1 1 8 VAL HG11 H -3.172 -0.954 -1.494 1.00 . A A . 8 VAL HG11 1 1 9 2252 1 1 8 VAL HG12 H -4.655 -0.932 -0.539 1.00 . A A . 8 VAL HG12 1 1 9 2253 1 1 8 VAL HG13 H -3.142 -1.463 0.195 1.00 . A A . 8 VAL HG13 1 1 9 2254 1 1 8 VAL HG21 H -3.505 0.293 2.019 1.00 . A A . 8 VAL HG21 1 1 9 2255 1 1 8 VAL HG22 H -5.007 0.723 1.199 1.00 . A A . 8 VAL HG22 1 1 9 2256 1 1 8 VAL HG23 H -3.801 1.965 1.540 1.00 . A A . 8 VAL HG23 1 1 9 2257 1 1 8 VAL N N -1.467 2.335 0.403 1.00 . A A . 8 VAL N 1 1 9 2258 1 1 8 VAL O O -0.768 -0.512 -1.666 1.00 . A A . 8 VAL O 1 1 9 2259 1 1 9 GLY C C 1.245 1.215 -3.401 1.00 . A A . 9 GLY C 1 1 9 2260 1 1 9 GLY CA C -0.245 1.536 -3.501 1.00 . A A . 9 GLY CA 1 1 9 2261 1 1 9 GLY H H -1.177 2.582 -1.903 1.00 . A A . 9 GLY H 1 1 9 2262 1 1 9 GLY HA2 H -0.736 0.738 -4.035 1.00 . A A . 9 GLY HA2 1 1 9 2263 1 1 9 GLY HA3 H -0.366 2.454 -4.058 1.00 . A A . 9 GLY HA3 1 1 9 2264 1 1 9 GLY N N -0.886 1.692 -2.194 1.00 . A A . 9 GLY N 1 1 9 2265 1 1 9 GLY O O 1.874 0.851 -4.399 1.00 . A A . 9 GLY O 1 1 9 2266 1 1 10 SER C C 3.360 0.127 -0.728 1.00 . A A . 10 SER C 1 1 9 2267 1 1 10 SER CA C 3.206 1.083 -1.921 1.00 . A A . 10 SER CA 1 1 9 2268 1 1 10 SER CB C 3.950 2.399 -1.654 1.00 . A A . 10 SER CB 1 1 9 2269 1 1 10 SER H H 1.228 1.653 -1.446 1.00 . A A . 10 SER H 1 1 9 2270 1 1 10 SER HA H 3.620 0.615 -2.802 1.00 . A A . 10 SER HA 1 1 9 2271 1 1 10 SER HB2 H 3.471 2.921 -0.840 1.00 . A A . 10 SER HB2 1 1 9 2272 1 1 10 SER HB3 H 4.975 2.189 -1.391 1.00 . A A . 10 SER HB3 1 1 9 2273 1 1 10 SER HG H 4.606 3.914 -2.710 1.00 . A A . 10 SER HG 1 1 9 2274 1 1 10 SER N N 1.796 1.355 -2.187 1.00 . A A . 10 SER N 1 1 9 2275 1 1 10 SER O O 4.132 -0.847 -0.786 1.00 . A A . 10 SER O 1 1 9 2276 1 1 10 SER OG O 3.935 3.234 -2.800 1.00 . A A . 10 SER OG 1 1 9 2277 1 1 11 ASN C C 4.000 -0.781 2.104 1.00 . A A . 11 ASN C 1 1 9 2278 1 1 11 ASN CA C 2.597 -0.369 1.616 1.00 . A A . 11 ASN CA 1 1 9 2279 1 1 11 ASN CB C 1.693 -1.606 1.446 1.00 . A A . 11 ASN CB 1 1 9 2280 1 1 11 ASN CG C 0.462 -1.549 2.332 1.00 . A A . 11 ASN CG 1 1 9 2281 1 1 11 ASN H H 2.034 1.219 0.323 1.00 . A A . 11 ASN H 1 1 9 2282 1 1 11 ASN HA H 2.167 0.260 2.375 1.00 . A A . 11 ASN HA 1 1 9 2283 1 1 11 ASN HB2 H 1.369 -1.669 0.418 1.00 . A A . 11 ASN HB2 1 1 9 2284 1 1 11 ASN HB3 H 2.255 -2.494 1.698 1.00 . A A . 11 ASN HB3 1 1 9 2285 1 1 11 ASN HD21 H 1.446 -2.464 3.798 1.00 . A A . 11 ASN HD21 1 1 9 2286 1 1 11 ASN HD22 H -0.197 -2.052 4.139 1.00 . A A . 11 ASN HD22 1 1 9 2287 1 1 11 ASN N N 2.612 0.427 0.365 1.00 . A A . 11 ASN N 1 1 9 2288 1 1 11 ASN ND2 N 0.583 -2.074 3.545 1.00 . A A . 11 ASN ND2 1 1 9 2289 1 1 11 ASN O O 5.013 -0.279 1.600 1.00 . A A . 11 ASN O 1 1 9 2290 1 1 11 ASN OD1 O -0.583 -1.039 1.930 1.00 . A A . 11 ASN OD1 1 1 9 2291 1 1 12 LYS C C 6.270 -2.660 2.603 1.00 . A A . 12 LYS C 1 1 9 2292 1 1 12 LYS CA C 5.278 -2.208 3.692 1.00 . A A . 12 LYS CA 1 1 9 2293 1 1 12 LYS CB C 4.951 -3.381 4.631 1.00 . A A . 12 LYS CB 1 1 9 2294 1 1 12 LYS CD C 5.514 -4.686 6.709 1.00 . A A . 12 LYS CD 1 1 9 2295 1 1 12 LYS CE C 6.475 -4.844 7.880 1.00 . A A . 12 LYS CE 1 1 9 2296 1 1 12 LYS CG C 5.923 -3.540 5.794 1.00 . A A . 12 LYS CG 1 1 9 2297 1 1 12 LYS H H 3.180 -2.028 3.451 1.00 . A A . 12 LYS H 1 1 9 2298 1 1 12 LYS HA H 5.720 -1.417 4.273 1.00 . A A . 12 LYS HA 1 1 9 2299 1 1 12 LYS HB2 H 3.962 -3.234 5.039 1.00 . A A . 12 LYS HB2 1 1 9 2300 1 1 12 LYS HB3 H 4.960 -4.297 4.058 1.00 . A A . 12 LYS HB3 1 1 9 2301 1 1 12 LYS HD2 H 4.525 -4.490 7.094 1.00 . A A . 12 LYS HD2 1 1 9 2302 1 1 12 LYS HD3 H 5.504 -5.602 6.138 1.00 . A A . 12 LYS HD3 1 1 9 2303 1 1 12 LYS HE2 H 6.292 -5.799 8.350 1.00 . A A . 12 LYS HE2 1 1 9 2304 1 1 12 LYS HE3 H 7.487 -4.817 7.504 1.00 . A A . 12 LYS HE3 1 1 9 2305 1 1 12 LYS HG2 H 6.908 -3.741 5.403 1.00 . A A . 12 LYS HG2 1 1 9 2306 1 1 12 LYS HG3 H 5.938 -2.623 6.365 1.00 . A A . 12 LYS HG3 1 1 9 2307 1 1 12 LYS HZ1 H 6.976 -3.905 9.680 1.00 . A A . 12 LYS HZ1 1 1 9 2308 1 1 12 LYS HZ2 H 5.338 -3.781 9.277 1.00 . A A . 12 LYS HZ2 1 1 9 2309 1 1 12 LYS HZ3 H 6.482 -2.836 8.464 1.00 . A A . 12 LYS HZ3 1 1 9 2310 1 1 12 LYS N N 4.032 -1.692 3.102 1.00 . A A . 12 LYS N 1 1 9 2311 1 1 12 LYS NZ N 6.306 -3.766 8.897 1.00 . A A . 12 LYS NZ 1 1 9 2312 1 1 12 LYS O O 7.454 -2.283 2.627 1.00 . A A . 12 LYS O 1 1 9 2313 1 1 13 GLY C C 7.313 -2.904 -0.255 1.00 . A A . 13 GLY C 1 1 9 2314 1 1 13 GLY CA C 6.515 -3.949 0.507 1.00 . A A . 13 GLY CA 1 1 9 2315 1 1 13 GLY H H 4.773 -3.610 1.659 1.00 . A A . 13 GLY H 1 1 9 2316 1 1 13 GLY HA2 H 7.202 -4.686 0.893 1.00 . A A . 13 GLY HA2 1 1 9 2317 1 1 13 GLY HA3 H 5.840 -4.437 -0.182 1.00 . A A . 13 GLY HA3 1 1 9 2318 1 1 13 GLY N N 5.733 -3.414 1.620 1.00 . A A . 13 GLY N 1 1 9 2319 1 1 13 GLY O O 8.498 -3.117 -0.525 1.00 . A A . 13 GLY O 1 1 9 2320 1 1 14 ALA C C 8.048 0.275 -0.376 1.00 . A A . 14 ALA C 1 1 9 2321 1 1 14 ALA CA C 7.371 -0.714 -1.331 1.00 . A A . 14 ALA CA 1 1 9 2322 1 1 14 ALA CB C 6.429 0.013 -2.272 1.00 . A A . 14 ALA CB 1 1 9 2323 1 1 14 ALA H H 5.720 -1.662 -0.380 1.00 . A A . 14 ALA H 1 1 9 2324 1 1 14 ALA HA H 8.134 -1.188 -1.934 1.00 . A A . 14 ALA HA 1 1 9 2325 1 1 14 ALA HB1 H 6.812 1.002 -2.474 1.00 . A A . 14 ALA HB1 1 1 9 2326 1 1 14 ALA HB2 H 5.459 0.086 -1.810 1.00 . A A . 14 ALA HB2 1 1 9 2327 1 1 14 ALA HB3 H 6.346 -0.537 -3.198 1.00 . A A . 14 ALA HB3 1 1 9 2328 1 1 14 ALA N N 6.672 -1.775 -0.606 1.00 . A A . 14 ALA N 1 1 9 2329 1 1 14 ALA O O 9.195 0.678 -0.619 1.00 . A A . 14 ALA O 1 1 9 2330 1 1 15 ILE C C 9.190 1.043 2.393 1.00 . A A . 15 ILE C 1 1 9 2331 1 1 15 ILE CA C 7.917 1.601 1.705 1.00 . A A . 15 ILE CA 1 1 9 2332 1 1 15 ILE CB C 6.843 2.073 2.747 1.00 . A A . 15 ILE CB 1 1 9 2333 1 1 15 ILE CD1 C 6.177 4.417 3.528 1.00 . A A . 15 ILE CD1 1 1 9 2334 1 1 15 ILE CG1 C 7.278 3.379 3.440 1.00 . A A . 15 ILE CG1 1 1 9 2335 1 1 15 ILE CG2 C 6.541 0.998 3.792 1.00 . A A . 15 ILE CG2 1 1 9 2336 1 1 15 ILE H H 6.452 0.280 0.879 1.00 . A A . 15 ILE H 1 1 9 2337 1 1 15 ILE HA H 8.216 2.471 1.135 1.00 . A A . 15 ILE HA 1 1 9 2338 1 1 15 ILE HB H 5.929 2.264 2.204 1.00 . A A . 15 ILE HB 1 1 9 2339 1 1 15 ILE HD11 H 5.846 4.676 2.532 1.00 . A A . 15 ILE HD11 1 1 9 2340 1 1 15 ILE HD12 H 6.553 5.300 4.023 1.00 . A A . 15 ILE HD12 1 1 9 2341 1 1 15 ILE HD13 H 5.346 4.015 4.090 1.00 . A A . 15 ILE HD13 1 1 9 2342 1 1 15 ILE HG12 H 7.597 3.153 4.446 1.00 . A A . 15 ILE HG12 1 1 9 2343 1 1 15 ILE HG13 H 8.103 3.815 2.896 1.00 . A A . 15 ILE HG13 1 1 9 2344 1 1 15 ILE HG21 H 6.807 1.365 4.772 1.00 . A A . 15 ILE HG21 1 1 9 2345 1 1 15 ILE HG22 H 7.119 0.115 3.570 1.00 . A A . 15 ILE HG22 1 1 9 2346 1 1 15 ILE HG23 H 5.488 0.757 3.769 1.00 . A A . 15 ILE HG23 1 1 9 2347 1 1 15 ILE N N 7.355 0.647 0.727 1.00 . A A . 15 ILE N 1 1 9 2348 1 1 15 ILE O O 10.072 1.817 2.775 1.00 . A A . 15 ILE O 1 1 9 2349 1 1 16 ILE C C 11.446 -1.318 2.040 1.00 . A A . 16 ILE C 1 1 9 2350 1 1 16 ILE CA C 10.452 -0.931 3.146 1.00 . A A . 16 ILE CA 1 1 9 2351 1 1 16 ILE CB C 10.057 -2.164 4.037 1.00 . A A . 16 ILE CB 1 1 9 2352 1 1 16 ILE CD1 C 8.539 -1.037 5.781 1.00 . A A . 16 ILE CD1 1 1 9 2353 1 1 16 ILE CG1 C 9.852 -1.741 5.503 1.00 . A A . 16 ILE CG1 1 1 9 2354 1 1 16 ILE CG2 C 11.090 -3.292 3.978 1.00 . A A . 16 ILE CG2 1 1 9 2355 1 1 16 ILE H H 8.527 -0.860 2.240 1.00 . A A . 16 ILE H 1 1 9 2356 1 1 16 ILE HA H 10.926 -0.193 3.779 1.00 . A A . 16 ILE HA 1 1 9 2357 1 1 16 ILE HB H 9.125 -2.555 3.660 1.00 . A A . 16 ILE HB 1 1 9 2358 1 1 16 ILE HD11 H 8.377 -0.985 6.847 1.00 . A A . 16 ILE HD11 1 1 9 2359 1 1 16 ILE HD12 H 7.733 -1.584 5.319 1.00 . A A . 16 ILE HD12 1 1 9 2360 1 1 16 ILE HD13 H 8.575 -0.038 5.375 1.00 . A A . 16 ILE HD13 1 1 9 2361 1 1 16 ILE HG12 H 9.886 -2.622 6.126 1.00 . A A . 16 ILE HG12 1 1 9 2362 1 1 16 ILE HG13 H 10.653 -1.077 5.796 1.00 . A A . 16 ILE HG13 1 1 9 2363 1 1 16 ILE HG21 H 10.766 -4.109 4.607 1.00 . A A . 16 ILE HG21 1 1 9 2364 1 1 16 ILE HG22 H 12.044 -2.926 4.327 1.00 . A A . 16 ILE HG22 1 1 9 2365 1 1 16 ILE HG23 H 11.187 -3.639 2.960 1.00 . A A . 16 ILE HG23 1 1 9 2366 1 1 16 ILE N N 9.271 -0.294 2.545 1.00 . A A . 16 ILE N 1 1 9 2367 1 1 16 ILE O O 12.663 -1.233 2.231 1.00 . A A . 16 ILE O 1 1 9 2368 1 1 17 GLY C C 12.407 -0.945 -0.942 1.00 . A A . 17 GLY C 1 1 9 2369 1 1 17 GLY CA C 11.724 -2.129 -0.261 1.00 . A A . 17 GLY CA 1 1 9 2370 1 1 17 GLY H H 9.928 -1.799 0.817 1.00 . A A . 17 GLY H 1 1 9 2371 1 1 17 GLY HA2 H 12.483 -2.821 0.072 1.00 . A A . 17 GLY HA2 1 1 9 2372 1 1 17 GLY HA3 H 11.095 -2.627 -0.984 1.00 . A A . 17 GLY HA3 1 1 9 2373 1 1 17 GLY N N 10.904 -1.745 0.887 1.00 . A A . 17 GLY N 1 1 9 2374 1 1 17 GLY O O 13.484 -1.102 -1.523 1.00 . A A . 17 GLY O 1 1 9 2375 1 1 18 LEU C C 12.593 2.511 -0.408 1.00 . A A . 18 LEU C 1 1 9 2376 1 1 18 LEU CA C 12.314 1.451 -1.474 1.00 . A A . 18 LEU CA 1 1 9 2377 1 1 18 LEU CB C 11.342 2.011 -2.543 1.00 . A A . 18 LEU CB 1 1 9 2378 1 1 18 LEU CD1 C 12.594 1.124 -4.590 1.00 . A A . 18 LEU CD1 1 1 9 2379 1 1 18 LEU CD2 C 10.585 -0.115 -3.731 1.00 . A A . 18 LEU CD2 1 1 9 2380 1 1 18 LEU CG C 11.238 1.256 -3.897 1.00 . A A . 18 LEU CG 1 1 9 2381 1 1 18 LEU H H 10.922 0.289 -0.379 1.00 . A A . 18 LEU H 1 1 9 2382 1 1 18 LEU HA H 13.247 1.191 -1.950 1.00 . A A . 18 LEU HA 1 1 9 2383 1 1 18 LEU HB2 H 10.355 2.035 -2.107 1.00 . A A . 18 LEU HB2 1 1 9 2384 1 1 18 LEU HB3 H 11.639 3.027 -2.754 1.00 . A A . 18 LEU HB3 1 1 9 2385 1 1 18 LEU HD11 H 13.110 2.072 -4.554 1.00 . A A . 18 LEU HD11 1 1 9 2386 1 1 18 LEU HD12 H 12.445 0.835 -5.619 1.00 . A A . 18 LEU HD12 1 1 9 2387 1 1 18 LEU HD13 H 13.184 0.372 -4.087 1.00 . A A . 18 LEU HD13 1 1 9 2388 1 1 18 LEU HD21 H 9.589 0.006 -3.331 1.00 . A A . 18 LEU HD21 1 1 9 2389 1 1 18 LEU HD22 H 11.175 -0.715 -3.053 1.00 . A A . 18 LEU HD22 1 1 9 2390 1 1 18 LEU HD23 H 10.530 -0.607 -4.691 1.00 . A A . 18 LEU HD23 1 1 9 2391 1 1 18 LEU HG H 10.604 1.834 -4.555 1.00 . A A . 18 LEU HG 1 1 9 2392 1 1 18 LEU N N 11.773 0.235 -0.864 1.00 . A A . 18 LEU N 1 1 9 2393 1 1 18 LEU O O 13.770 2.906 -0.265 1.00 . A A . 18 LEU O 1 1 9 2394 1 1 18 LEU OXT O 11.637 2.932 0.280 1.00 . A A . 18 LEU OXT 1 1 10 2395 1 1 1 LEU C C -11.003 5.472 0.965 1.00 . A A . 1 LEU C 1 1 10 2396 1 1 1 LEU CA C -11.016 5.657 -0.557 1.00 . A A . 1 LEU CA 1 1 10 2397 1 1 1 LEU CB C -12.464 5.687 -1.092 1.00 . A A . 1 LEU CB 1 1 10 2398 1 1 1 LEU CD1 C -14.038 4.157 0.140 1.00 . A A . 1 LEU CD1 1 1 10 2399 1 1 1 LEU CD2 C -14.100 4.260 -2.358 1.00 . A A . 1 LEU CD2 1 1 10 2400 1 1 1 LEU CG C -13.213 4.344 -1.124 1.00 . A A . 1 LEU CG 1 1 10 2401 1 1 1 LEU H1 H -10.626 3.659 -1.031 1.00 . A A . 1 LEU H1 1 1 10 2402 1 1 1 LEU H2 H -9.239 4.618 -0.915 1.00 . A A . 1 LEU H2 1 1 10 2403 1 1 1 LEU H3 H -10.241 4.745 -2.271 1.00 . A A . 1 LEU H3 1 1 10 2404 1 1 1 LEU HA H -10.548 6.605 -0.781 1.00 . A A . 1 LEU HA 1 1 10 2405 1 1 1 LEU HB2 H -13.032 6.369 -0.477 1.00 . A A . 1 LEU HB2 1 1 10 2406 1 1 1 LEU HB3 H -12.439 6.080 -2.097 1.00 . A A . 1 LEU HB3 1 1 10 2407 1 1 1 LEU HD11 H -14.408 3.143 0.183 1.00 . A A . 1 LEU HD11 1 1 10 2408 1 1 1 LEU HD12 H -14.871 4.843 0.129 1.00 . A A . 1 LEU HD12 1 1 10 2409 1 1 1 LEU HD13 H -13.421 4.353 1.003 1.00 . A A . 1 LEU HD13 1 1 10 2410 1 1 1 LEU HD21 H -14.809 5.073 -2.347 1.00 . A A . 1 LEU HD21 1 1 10 2411 1 1 1 LEU HD22 H -14.630 3.319 -2.356 1.00 . A A . 1 LEU HD22 1 1 10 2412 1 1 1 LEU HD23 H -13.488 4.327 -3.246 1.00 . A A . 1 LEU HD23 1 1 10 2413 1 1 1 LEU HG H -12.493 3.539 -1.174 1.00 . A A . 1 LEU HG 1 1 10 2414 1 1 1 LEU N N -10.226 4.595 -1.241 1.00 . A A . 1 LEU N 1 1 10 2415 1 1 1 LEU O O -10.926 6.453 1.711 1.00 . A A . 1 LEU O 1 1 10 2416 1 1 2 VAL C C -9.643 3.538 3.318 1.00 . A A . 2 VAL C 1 1 10 2417 1 1 2 VAL CA C -11.073 3.882 2.840 1.00 . A A . 2 VAL CA 1 1 10 2418 1 1 2 VAL CB C -12.106 2.744 3.173 1.00 . A A . 2 VAL CB 1 1 10 2419 1 1 2 VAL CG1 C -11.867 1.468 2.365 1.00 . A A . 2 VAL CG1 1 1 10 2420 1 1 2 VAL CG2 C -12.146 2.433 4.671 1.00 . A A . 2 VAL CG2 1 1 10 2421 1 1 2 VAL H H -11.142 3.482 0.758 1.00 . A A . 2 VAL H 1 1 10 2422 1 1 2 VAL HA H -11.389 4.774 3.366 1.00 . A A . 2 VAL HA 1 1 10 2423 1 1 2 VAL HB H -13.084 3.112 2.898 1.00 . A A . 2 VAL HB 1 1 10 2424 1 1 2 VAL HG11 H -11.946 1.690 1.310 1.00 . A A . 2 VAL HG11 1 1 10 2425 1 1 2 VAL HG12 H -12.605 0.727 2.633 1.00 . A A . 2 VAL HG12 1 1 10 2426 1 1 2 VAL HG13 H -10.879 1.086 2.578 1.00 . A A . 2 VAL HG13 1 1 10 2427 1 1 2 VAL HG21 H -12.433 3.321 5.216 1.00 . A A . 2 VAL HG21 1 1 10 2428 1 1 2 VAL HG22 H -11.170 2.110 4.999 1.00 . A A . 2 VAL HG22 1 1 10 2429 1 1 2 VAL HG23 H -12.865 1.649 4.857 1.00 . A A . 2 VAL HG23 1 1 10 2430 1 1 2 VAL N N -11.079 4.211 1.410 1.00 . A A . 2 VAL N 1 1 10 2431 1 1 2 VAL O O -9.180 4.079 4.326 1.00 . A A . 2 VAL O 1 1 10 2432 1 1 3 PHE C C -6.692 2.200 1.672 1.00 . A A . 3 PHE C 1 1 10 2433 1 1 3 PHE CA C -7.587 2.243 2.919 1.00 . A A . 3 PHE CA 1 1 10 2434 1 1 3 PHE CB C -7.547 0.883 3.660 1.00 . A A . 3 PHE CB 1 1 10 2435 1 1 3 PHE CD1 C -7.764 -0.914 1.897 1.00 . A A . 3 PHE CD1 1 1 10 2436 1 1 3 PHE CD2 C -9.523 -0.667 3.488 1.00 . A A . 3 PHE CD2 1 1 10 2437 1 1 3 PHE CE1 C -8.445 -1.958 1.300 1.00 . A A . 3 PHE CE1 1 1 10 2438 1 1 3 PHE CE2 C -10.209 -1.711 2.894 1.00 . A A . 3 PHE CE2 1 1 10 2439 1 1 3 PHE CG C -8.296 -0.254 2.997 1.00 . A A . 3 PHE CG 1 1 10 2440 1 1 3 PHE CZ C -9.669 -2.356 1.799 1.00 . A A . 3 PHE CZ 1 1 10 2441 1 1 3 PHE H H -9.397 2.243 1.803 1.00 . A A . 3 PHE H 1 1 10 2442 1 1 3 PHE HA H -7.192 3.000 3.582 1.00 . A A . 3 PHE HA 1 1 10 2443 1 1 3 PHE HB2 H -6.518 0.575 3.759 1.00 . A A . 3 PHE HB2 1 1 10 2444 1 1 3 PHE HB3 H -7.963 1.018 4.648 1.00 . A A . 3 PHE HB3 1 1 10 2445 1 1 3 PHE HD1 H -6.807 -0.603 1.504 1.00 . A A . 3 PHE HD1 1 1 10 2446 1 1 3 PHE HD2 H -9.949 -0.164 4.343 1.00 . A A . 3 PHE HD2 1 1 10 2447 1 1 3 PHE HE1 H -8.019 -2.462 0.445 1.00 . A A . 3 PHE HE1 1 1 10 2448 1 1 3 PHE HE2 H -11.166 -2.020 3.286 1.00 . A A . 3 PHE HE2 1 1 10 2449 1 1 3 PHE HZ H -10.203 -3.173 1.336 1.00 . A A . 3 PHE HZ 1 1 10 2450 1 1 3 PHE N N -8.963 2.643 2.586 1.00 . A A . 3 PHE N 1 1 10 2451 1 1 3 PHE O O -5.461 2.221 1.787 1.00 . A A . 3 PHE O 1 1 10 2452 1 1 4 PHE C C -5.804 3.391 -1.051 1.00 . A A . 4 PHE C 1 1 10 2453 1 1 4 PHE CA C -6.604 2.101 -0.798 1.00 . A A . 4 PHE CA 1 1 10 2454 1 1 4 PHE CB C -7.598 1.858 -1.944 1.00 . A A . 4 PHE CB 1 1 10 2455 1 1 4 PHE CD1 C -6.941 -0.161 -3.291 1.00 . A A . 4 PHE CD1 1 1 10 2456 1 1 4 PHE CD2 C -6.450 1.999 -4.177 1.00 . A A . 4 PHE CD2 1 1 10 2457 1 1 4 PHE CE1 C -6.378 -0.749 -4.408 1.00 . A A . 4 PHE CE1 1 1 10 2458 1 1 4 PHE CE2 C -5.887 1.416 -5.295 1.00 . A A . 4 PHE CE2 1 1 10 2459 1 1 4 PHE CG C -6.984 1.219 -3.163 1.00 . A A . 4 PHE CG 1 1 10 2460 1 1 4 PHE CZ C -5.851 0.040 -5.411 1.00 . A A . 4 PHE CZ 1 1 10 2461 1 1 4 PHE H H -8.303 2.154 0.473 1.00 . A A . 4 PHE H 1 1 10 2462 1 1 4 PHE HA H -5.917 1.269 -0.754 1.00 . A A . 4 PHE HA 1 1 10 2463 1 1 4 PHE HB2 H -8.385 1.208 -1.595 1.00 . A A . 4 PHE HB2 1 1 10 2464 1 1 4 PHE HB3 H -8.026 2.803 -2.245 1.00 . A A . 4 PHE HB3 1 1 10 2465 1 1 4 PHE HD1 H -7.354 -0.779 -2.508 1.00 . A A . 4 PHE HD1 1 1 10 2466 1 1 4 PHE HD2 H -6.478 3.075 -4.088 1.00 . A A . 4 PHE HD2 1 1 10 2467 1 1 4 PHE HE1 H -6.351 -1.825 -4.496 1.00 . A A . 4 PHE HE1 1 1 10 2468 1 1 4 PHE HE2 H -5.474 2.035 -6.078 1.00 . A A . 4 PHE HE2 1 1 10 2469 1 1 4 PHE HZ H -5.411 -0.418 -6.285 1.00 . A A . 4 PHE HZ 1 1 10 2470 1 1 4 PHE N N -7.323 2.153 0.484 1.00 . A A . 4 PHE N 1 1 10 2471 1 1 4 PHE O O -4.634 3.336 -1.451 1.00 . A A . 4 PHE O 1 1 10 2472 1 1 5 ALA C C -4.647 6.082 -0.005 1.00 . A A . 5 ALA C 1 1 10 2473 1 1 5 ALA CA C -5.818 5.866 -0.969 1.00 . A A . 5 ALA CA 1 1 10 2474 1 1 5 ALA CB C -6.855 6.965 -0.793 1.00 . A A . 5 ALA CB 1 1 10 2475 1 1 5 ALA H H -7.367 4.506 -0.458 1.00 . A A . 5 ALA H 1 1 10 2476 1 1 5 ALA HA H -5.447 5.918 -1.982 1.00 . A A . 5 ALA HA 1 1 10 2477 1 1 5 ALA HB1 H -6.401 7.924 -0.996 1.00 . A A . 5 ALA HB1 1 1 10 2478 1 1 5 ALA HB2 H -7.226 6.951 0.222 1.00 . A A . 5 ALA HB2 1 1 10 2479 1 1 5 ALA HB3 H -7.674 6.803 -1.477 1.00 . A A . 5 ALA HB3 1 1 10 2480 1 1 5 ALA N N -6.444 4.546 -0.787 1.00 . A A . 5 ALA N 1 1 10 2481 1 1 5 ALA O O -3.753 6.890 -0.276 1.00 . A A . 5 ALA O 1 1 10 2482 1 1 6 GLU C C -2.542 4.371 1.860 1.00 . A A . 6 GLU C 1 1 10 2483 1 1 6 GLU CA C -3.613 5.430 2.130 1.00 . A A . 6 GLU CA 1 1 10 2484 1 1 6 GLU CB C -4.195 5.251 3.542 1.00 . A A . 6 GLU CB 1 1 10 2485 1 1 6 GLU CD C -4.143 7.579 4.555 1.00 . A A . 6 GLU CD 1 1 10 2486 1 1 6 GLU CG C -5.009 6.442 4.040 1.00 . A A . 6 GLU CG 1 1 10 2487 1 1 6 GLU H H -5.425 4.746 1.271 1.00 . A A . 6 GLU H 1 1 10 2488 1 1 6 GLU HA H -3.158 6.408 2.058 1.00 . A A . 6 GLU HA 1 1 10 2489 1 1 6 GLU HB2 H -4.835 4.381 3.544 1.00 . A A . 6 GLU HB2 1 1 10 2490 1 1 6 GLU HB3 H -3.381 5.086 4.233 1.00 . A A . 6 GLU HB3 1 1 10 2491 1 1 6 GLU HG2 H -5.613 6.813 3.227 1.00 . A A . 6 GLU HG2 1 1 10 2492 1 1 6 GLU HG3 H -5.653 6.111 4.842 1.00 . A A . 6 GLU HG3 1 1 10 2493 1 1 6 GLU N N -4.671 5.353 1.120 1.00 . A A . 6 GLU N 1 1 10 2494 1 1 6 GLU O O -1.345 4.660 1.929 1.00 . A A . 6 GLU O 1 1 10 2495 1 1 6 GLU OE1 O -3.763 8.450 3.744 1.00 . A A . 6 GLU OE1 1 1 10 2496 1 1 6 GLU OE2 O -3.847 7.599 5.768 1.00 . A A . 6 GLU OE2 1 1 10 2497 1 1 7 ASP C C -1.398 2.201 -0.119 1.00 . A A . 7 ASP C 1 1 10 2498 1 1 7 ASP CA C -2.091 2.017 1.245 1.00 . A A . 7 ASP CA 1 1 10 2499 1 1 7 ASP CB C -2.870 0.695 1.265 1.00 . A A . 7 ASP CB 1 1 10 2500 1 1 7 ASP CG C -1.992 -0.502 1.587 1.00 . A A . 7 ASP CG 1 1 10 2501 1 1 7 ASP H H -3.960 2.983 1.529 1.00 . A A . 7 ASP H 1 1 10 2502 1 1 7 ASP HA H -1.335 1.988 2.017 1.00 . A A . 7 ASP HA 1 1 10 2503 1 1 7 ASP HB2 H -3.647 0.756 2.013 1.00 . A A . 7 ASP HB2 1 1 10 2504 1 1 7 ASP HB3 H -3.321 0.539 0.297 1.00 . A A . 7 ASP HB3 1 1 10 2505 1 1 7 ASP N N -2.992 3.138 1.551 1.00 . A A . 7 ASP N 1 1 10 2506 1 1 7 ASP O O -0.276 1.714 -0.321 1.00 . A A . 7 ASP O 1 1 10 2507 1 1 7 ASP OD1 O -1.793 -0.788 2.786 1.00 . A A . 7 ASP OD1 1 1 10 2508 1 1 7 ASP OD2 O -1.504 -1.152 0.639 1.00 . A A . 7 ASP OD2 1 1 10 2509 1 1 8 VAL C C -0.939 1.976 -3.093 1.00 . A A . 8 VAL C 1 1 10 2510 1 1 8 VAL CA C -1.616 3.201 -2.425 1.00 . A A . 8 VAL CA 1 1 10 2511 1 1 8 VAL CB C -0.692 4.474 -2.492 1.00 . A A . 8 VAL CB 1 1 10 2512 1 1 8 VAL CG1 C -1.488 5.730 -2.163 1.00 . A A . 8 VAL CG1 1 1 10 2513 1 1 8 VAL CG2 C 0.537 4.377 -1.582 1.00 . A A . 8 VAL CG2 1 1 10 2514 1 1 8 VAL H H -2.979 3.253 -0.790 1.00 . A A . 8 VAL H 1 1 10 2515 1 1 8 VAL HA H -2.506 3.426 -3.003 1.00 . A A . 8 VAL HA 1 1 10 2516 1 1 8 VAL HB H -0.344 4.572 -3.511 1.00 . A A . 8 VAL HB 1 1 10 2517 1 1 8 VAL HG11 H -2.291 5.844 -2.876 1.00 . A A . 8 VAL HG11 1 1 10 2518 1 1 8 VAL HG12 H -0.838 6.591 -2.211 1.00 . A A . 8 VAL HG12 1 1 10 2519 1 1 8 VAL HG13 H -1.900 5.645 -1.168 1.00 . A A . 8 VAL HG13 1 1 10 2520 1 1 8 VAL HG21 H 1.104 3.495 -1.836 1.00 . A A . 8 VAL HG21 1 1 10 2521 1 1 8 VAL HG22 H 0.217 4.315 -0.553 1.00 . A A . 8 VAL HG22 1 1 10 2522 1 1 8 VAL HG23 H 1.152 5.254 -1.716 1.00 . A A . 8 VAL HG23 1 1 10 2523 1 1 8 VAL N N -2.096 2.908 -1.046 1.00 . A A . 8 VAL N 1 1 10 2524 1 1 8 VAL O O -1.276 0.837 -2.757 1.00 . A A . 8 VAL O 1 1 10 2525 1 1 9 GLY C C 1.694 0.423 -3.809 1.00 . A A . 9 GLY C 1 1 10 2526 1 1 9 GLY CA C 0.698 1.127 -4.720 1.00 . A A . 9 GLY CA 1 1 10 2527 1 1 9 GLY H H 0.201 3.141 -4.286 1.00 . A A . 9 GLY H 1 1 10 2528 1 1 9 GLY HA2 H -0.025 0.404 -5.070 1.00 . A A . 9 GLY HA2 1 1 10 2529 1 1 9 GLY HA3 H 1.228 1.530 -5.570 1.00 . A A . 9 GLY HA3 1 1 10 2530 1 1 9 GLY N N -0.009 2.215 -4.045 1.00 . A A . 9 GLY N 1 1 10 2531 1 1 9 GLY O O 2.906 0.504 -4.026 1.00 . A A . 9 GLY O 1 1 10 2532 1 1 10 SER C C 2.864 -0.054 -0.969 1.00 . A A . 10 SER C 1 1 10 2533 1 1 10 SER CA C 1.972 -1.007 -1.781 1.00 . A A . 10 SER CA 1 1 10 2534 1 1 10 SER CB C 2.803 -2.131 -2.441 1.00 . A A . 10 SER CB 1 1 10 2535 1 1 10 SER H H 0.191 -0.293 -2.690 1.00 . A A . 10 SER H 1 1 10 2536 1 1 10 SER HA H 1.280 -1.462 -1.091 1.00 . A A . 10 SER HA 1 1 10 2537 1 1 10 SER HB2 H 2.155 -2.742 -3.051 1.00 . A A . 10 SER HB2 1 1 10 2538 1 1 10 SER HB3 H 3.571 -1.691 -3.060 1.00 . A A . 10 SER HB3 1 1 10 2539 1 1 10 SER HG H 3.240 -3.878 -1.667 1.00 . A A . 10 SER HG 1 1 10 2540 1 1 10 SER N N 1.167 -0.273 -2.780 1.00 . A A . 10 SER N 1 1 10 2541 1 1 10 SER O O 4.095 -0.092 -1.074 1.00 . A A . 10 SER O 1 1 10 2542 1 1 10 SER OG O 3.420 -2.957 -1.466 1.00 . A A . 10 SER OG 1 1 10 2543 1 1 11 ASN C C 3.939 1.072 1.616 1.00 . A A . 11 ASN C 1 1 10 2544 1 1 11 ASN CA C 2.930 1.779 0.697 1.00 . A A . 11 ASN CA 1 1 10 2545 1 1 11 ASN CB C 1.929 2.599 1.532 1.00 . A A . 11 ASN CB 1 1 10 2546 1 1 11 ASN CG C 2.456 3.971 1.931 1.00 . A A . 11 ASN CG 1 1 10 2547 1 1 11 ASN H H 1.236 0.794 -0.137 1.00 . A A . 11 ASN H 1 1 10 2548 1 1 11 ASN HA H 3.471 2.449 0.046 1.00 . A A . 11 ASN HA 1 1 10 2549 1 1 11 ASN HB2 H 1.025 2.738 0.958 1.00 . A A . 11 ASN HB2 1 1 10 2550 1 1 11 ASN HB3 H 1.693 2.050 2.432 1.00 . A A . 11 ASN HB3 1 1 10 2551 1 1 11 ASN HD21 H 0.634 4.744 1.755 1.00 . A A . 11 ASN HD21 1 1 10 2552 1 1 11 ASN HD22 H 1.874 5.848 2.231 1.00 . A A . 11 ASN HD22 1 1 10 2553 1 1 11 ASN N N 2.218 0.807 -0.154 1.00 . A A . 11 ASN N 1 1 10 2554 1 1 11 ASN ND2 N 1.565 4.953 1.977 1.00 . A A . 11 ASN ND2 1 1 10 2555 1 1 11 ASN O O 5.125 1.423 1.626 1.00 . A A . 11 ASN O 1 1 10 2556 1 1 11 ASN OD1 O 3.649 4.147 2.196 1.00 . A A . 11 ASN OD1 1 1 10 2557 1 1 12 LYS C C 5.414 -1.447 2.476 1.00 . A A . 12 LYS C 1 1 10 2558 1 1 12 LYS CA C 4.301 -0.743 3.261 1.00 . A A . 12 LYS CA 1 1 10 2559 1 1 12 LYS CB C 3.457 -1.773 4.026 1.00 . A A . 12 LYS CB 1 1 10 2560 1 1 12 LYS CD C 1.790 -2.235 5.853 1.00 . A A . 12 LYS CD 1 1 10 2561 1 1 12 LYS CE C 0.931 -1.638 6.960 1.00 . A A . 12 LYS CE 1 1 10 2562 1 1 12 LYS CG C 2.581 -1.166 5.112 1.00 . A A . 12 LYS CG 1 1 10 2563 1 1 12 LYS H H 2.507 -0.179 2.275 1.00 . A A . 12 LYS H 1 1 10 2564 1 1 12 LYS HA H 4.748 -0.064 3.969 1.00 . A A . 12 LYS HA 1 1 10 2565 1 1 12 LYS HB2 H 2.816 -2.285 3.323 1.00 . A A . 12 LYS HB2 1 1 10 2566 1 1 12 LYS HB3 H 4.118 -2.491 4.486 1.00 . A A . 12 LYS HB3 1 1 10 2567 1 1 12 LYS HD2 H 1.147 -2.743 5.150 1.00 . A A . 12 LYS HD2 1 1 10 2568 1 1 12 LYS HD3 H 2.480 -2.942 6.288 1.00 . A A . 12 LYS HD3 1 1 10 2569 1 1 12 LYS HE2 H 0.586 -2.436 7.598 1.00 . A A . 12 LYS HE2 1 1 10 2570 1 1 12 LYS HE3 H 1.536 -0.954 7.536 1.00 . A A . 12 LYS HE3 1 1 10 2571 1 1 12 LYS HG2 H 3.210 -0.644 5.818 1.00 . A A . 12 LYS HG2 1 1 10 2572 1 1 12 LYS HG3 H 1.892 -0.469 4.658 1.00 . A A . 12 LYS HG3 1 1 10 2573 1 1 12 LYS HZ1 H -0.815 -0.514 7.205 1.00 . A A . 12 LYS HZ1 1 1 10 2574 1 1 12 LYS HZ2 H -0.850 -1.547 5.868 1.00 . A A . 12 LYS HZ2 1 1 10 2575 1 1 12 LYS HZ3 H 0.061 -0.123 5.811 1.00 . A A . 12 LYS HZ3 1 1 10 2576 1 1 12 LYS N N 3.458 0.048 2.351 1.00 . A A . 12 LYS N 1 1 10 2577 1 1 12 LYS NZ N -0.251 -0.904 6.423 1.00 . A A . 12 LYS NZ 1 1 10 2578 1 1 12 LYS O O 6.598 -1.353 2.833 1.00 . A A . 12 LYS O 1 1 10 2579 1 1 13 GLY C C 6.961 -1.863 -0.127 1.00 . A A . 13 GLY C 1 1 10 2580 1 1 13 GLY CA C 5.964 -2.816 0.511 1.00 . A A . 13 GLY CA 1 1 10 2581 1 1 13 GLY H H 4.061 -2.137 1.155 1.00 . A A . 13 GLY H 1 1 10 2582 1 1 13 GLY HA2 H 6.501 -3.546 1.097 1.00 . A A . 13 GLY HA2 1 1 10 2583 1 1 13 GLY HA3 H 5.417 -3.325 -0.269 1.00 . A A . 13 GLY HA3 1 1 10 2584 1 1 13 GLY N N 5.016 -2.119 1.377 1.00 . A A . 13 GLY N 1 1 10 2585 1 1 13 GLY O O 8.100 -2.245 -0.409 1.00 . A A . 13 GLY O 1 1 10 2586 1 1 14 ALA C C 8.338 0.996 0.129 1.00 . A A . 14 ALA C 1 1 10 2587 1 1 14 ALA CA C 7.373 0.431 -0.928 1.00 . A A . 14 ALA CA 1 1 10 2588 1 1 14 ALA CB C 6.530 1.548 -1.533 1.00 . A A . 14 ALA CB 1 1 10 2589 1 1 14 ALA H H 5.575 -0.400 -0.156 1.00 . A A . 14 ALA H 1 1 10 2590 1 1 14 ALA HA H 7.949 -0.019 -1.724 1.00 . A A . 14 ALA HA 1 1 10 2591 1 1 14 ALA HB1 H 5.860 1.134 -2.271 1.00 . A A . 14 ALA HB1 1 1 10 2592 1 1 14 ALA HB2 H 7.178 2.274 -2.001 1.00 . A A . 14 ALA HB2 1 1 10 2593 1 1 14 ALA HB3 H 5.957 2.028 -0.753 1.00 . A A . 14 ALA HB3 1 1 10 2594 1 1 14 ALA N N 6.518 -0.613 -0.355 1.00 . A A . 14 ALA N 1 1 10 2595 1 1 14 ALA O O 9.554 1.037 -0.099 1.00 . A A . 14 ALA O 1 1 10 2596 1 1 15 ILE C C 9.540 0.915 3.028 1.00 . A A . 15 ILE C 1 1 10 2597 1 1 15 ILE CA C 8.603 1.959 2.401 1.00 . A A . 15 ILE CA 1 1 10 2598 1 1 15 ILE CB C 7.751 2.638 3.521 1.00 . A A . 15 ILE CB 1 1 10 2599 1 1 15 ILE CD1 C 6.582 1.740 5.614 1.00 . A A . 15 ILE CD1 1 1 10 2600 1 1 15 ILE CG1 C 6.684 1.693 4.102 1.00 . A A . 15 ILE CG1 1 1 10 2601 1 1 15 ILE CG2 C 7.101 3.910 2.991 1.00 . A A . 15 ILE CG2 1 1 10 2602 1 1 15 ILE H H 6.819 1.298 1.429 1.00 . A A . 15 ILE H 1 1 10 2603 1 1 15 ILE HA H 9.223 2.727 1.958 1.00 . A A . 15 ILE HA 1 1 10 2604 1 1 15 ILE HB H 8.427 2.927 4.314 1.00 . A A . 15 ILE HB 1 1 10 2605 1 1 15 ILE HD11 H 7.533 1.467 6.047 1.00 . A A . 15 ILE HD11 1 1 10 2606 1 1 15 ILE HD12 H 5.824 1.046 5.946 1.00 . A A . 15 ILE HD12 1 1 10 2607 1 1 15 ILE HD13 H 6.317 2.739 5.926 1.00 . A A . 15 ILE HD13 1 1 10 2608 1 1 15 ILE HG12 H 5.720 1.962 3.699 1.00 . A A . 15 ILE HG12 1 1 10 2609 1 1 15 ILE HG13 H 6.919 0.678 3.815 1.00 . A A . 15 ILE HG13 1 1 10 2610 1 1 15 ILE HG21 H 6.518 4.372 3.774 1.00 . A A . 15 ILE HG21 1 1 10 2611 1 1 15 ILE HG22 H 6.455 3.666 2.160 1.00 . A A . 15 ILE HG22 1 1 10 2612 1 1 15 ILE HG23 H 7.867 4.596 2.660 1.00 . A A . 15 ILE HG23 1 1 10 2613 1 1 15 ILE N N 7.787 1.390 1.303 1.00 . A A . 15 ILE N 1 1 10 2614 1 1 15 ILE O O 10.683 1.233 3.369 1.00 . A A . 15 ILE O 1 1 10 2615 1 1 16 ILE C C 10.775 -2.000 2.646 1.00 . A A . 16 ILE C 1 1 10 2616 1 1 16 ILE CA C 9.854 -1.424 3.737 1.00 . A A . 16 ILE CA 1 1 10 2617 1 1 16 ILE CB C 8.966 -2.557 4.361 1.00 . A A . 16 ILE CB 1 1 10 2618 1 1 16 ILE CD1 C 8.578 -1.227 6.589 1.00 . A A . 16 ILE CD1 1 1 10 2619 1 1 16 ILE CG1 C 7.965 -2.003 5.422 1.00 . A A . 16 ILE CG1 1 1 10 2620 1 1 16 ILE CG2 C 9.820 -3.682 4.969 1.00 . A A . 16 ILE CG2 1 1 10 2621 1 1 16 ILE H H 8.124 -0.512 2.895 1.00 . A A . 16 ILE H 1 1 10 2622 1 1 16 ILE HA H 10.472 -1.005 4.521 1.00 . A A . 16 ILE HA 1 1 10 2623 1 1 16 ILE HB H 8.395 -2.995 3.555 1.00 . A A . 16 ILE HB 1 1 10 2624 1 1 16 ILE HD11 H 9.322 -1.838 7.078 1.00 . A A . 16 ILE HD11 1 1 10 2625 1 1 16 ILE HD12 H 7.803 -0.970 7.296 1.00 . A A . 16 ILE HD12 1 1 10 2626 1 1 16 ILE HD13 H 9.040 -0.323 6.218 1.00 . A A . 16 ILE HD13 1 1 10 2627 1 1 16 ILE HG12 H 7.273 -1.341 4.928 1.00 . A A . 16 ILE HG12 1 1 10 2628 1 1 16 ILE HG13 H 7.412 -2.834 5.838 1.00 . A A . 16 ILE HG13 1 1 10 2629 1 1 16 ILE HG21 H 10.436 -4.123 4.199 1.00 . A A . 16 ILE HG21 1 1 10 2630 1 1 16 ILE HG22 H 9.174 -4.439 5.389 1.00 . A A . 16 ILE HG22 1 1 10 2631 1 1 16 ILE HG23 H 10.450 -3.276 5.746 1.00 . A A . 16 ILE HG23 1 1 10 2632 1 1 16 ILE N N 9.046 -0.328 3.173 1.00 . A A . 16 ILE N 1 1 10 2633 1 1 16 ILE O O 11.909 -2.400 2.928 1.00 . A A . 16 ILE O 1 1 10 2634 1 1 17 GLY C C 12.156 -1.592 -0.156 1.00 . A A . 17 GLY C 1 1 10 2635 1 1 17 GLY CA C 11.025 -2.526 0.260 1.00 . A A . 17 GLY CA 1 1 10 2636 1 1 17 GLY H H 9.348 -1.708 1.264 1.00 . A A . 17 GLY H 1 1 10 2637 1 1 17 GLY HA2 H 11.446 -3.487 0.514 1.00 . A A . 17 GLY HA2 1 1 10 2638 1 1 17 GLY HA3 H 10.354 -2.651 -0.576 1.00 . A A . 17 GLY HA3 1 1 10 2639 1 1 17 GLY N N 10.263 -2.030 1.404 1.00 . A A . 17 GLY N 1 1 10 2640 1 1 17 GLY O O 13.263 -2.051 -0.454 1.00 . A A . 17 GLY O 1 1 10 2641 1 1 18 LEU C C 12.780 1.956 0.361 1.00 . A A . 18 LEU C 1 1 10 2642 1 1 18 LEU CA C 12.862 0.734 -0.556 1.00 . A A . 18 LEU CA 1 1 10 2643 1 1 18 LEU CB C 12.702 1.147 -2.039 1.00 . A A . 18 LEU CB 1 1 10 2644 1 1 18 LEU CD1 C 11.100 3.053 -2.418 1.00 . A A . 18 LEU CD1 1 1 10 2645 1 1 18 LEU CD2 C 11.030 1.049 -3.911 1.00 . A A . 18 LEU CD2 1 1 10 2646 1 1 18 LEU CG C 11.289 1.545 -2.498 1.00 . A A . 18 LEU CG 1 1 10 2647 1 1 18 LEU H H 10.971 0.014 0.085 1.00 . A A . 18 LEU H 1 1 10 2648 1 1 18 LEU HA H 13.837 0.286 -0.430 1.00 . A A . 18 LEU HA 1 1 10 2649 1 1 18 LEU HB2 H 13.358 1.984 -2.224 1.00 . A A . 18 LEU HB2 1 1 10 2650 1 1 18 LEU HB3 H 13.030 0.320 -2.651 1.00 . A A . 18 LEU HB3 1 1 10 2651 1 1 18 LEU HD11 H 10.099 3.308 -2.731 1.00 . A A . 18 LEU HD11 1 1 10 2652 1 1 18 LEU HD12 H 11.815 3.539 -3.065 1.00 . A A . 18 LEU HD12 1 1 10 2653 1 1 18 LEU HD13 H 11.253 3.382 -1.401 1.00 . A A . 18 LEU HD13 1 1 10 2654 1 1 18 LEU HD21 H 11.101 -0.028 -3.935 1.00 . A A . 18 LEU HD21 1 1 10 2655 1 1 18 LEU HD22 H 11.762 1.474 -4.582 1.00 . A A . 18 LEU HD22 1 1 10 2656 1 1 18 LEU HD23 H 10.040 1.351 -4.224 1.00 . A A . 18 LEU HD23 1 1 10 2657 1 1 18 LEU HG H 10.563 1.085 -1.843 1.00 . A A . 18 LEU HG 1 1 10 2658 1 1 18 LEU N N 11.870 -0.279 -0.175 1.00 . A A . 18 LEU N 1 1 10 2659 1 1 18 LEU O O 13.825 2.335 0.930 1.00 . A A . 18 LEU O 1 1 10 2660 1 1 18 LEU OXT O 11.672 2.512 0.510 1.00 . A A . 18 LEU OXT 1 1 11 2661 1 1 1 LEU C C -10.708 5.973 3.028 1.00 . A A . 1 LEU C 1 1 11 2662 1 1 1 LEU CA C -11.150 5.622 1.607 1.00 . A A . 1 LEU CA 1 1 11 2663 1 1 1 LEU CB C -11.284 6.920 0.766 1.00 . A A . 1 LEU CB 1 1 11 2664 1 1 1 LEU CD1 C -10.671 5.792 -1.451 1.00 . A A . 1 LEU CD1 1 1 11 2665 1 1 1 LEU CD2 C -13.059 6.423 -0.991 1.00 . A A . 1 LEU CD2 1 1 11 2666 1 1 1 LEU CG C -11.595 6.786 -0.750 1.00 . A A . 1 LEU CG 1 1 11 2667 1 1 1 LEU H1 H -12.667 4.535 0.676 1.00 . A A . 1 LEU H1 1 1 11 2668 1 1 1 LEU H2 H -13.201 5.490 1.965 1.00 . A A . 1 LEU H2 1 1 11 2669 1 1 1 LEU H3 H -12.358 4.055 2.268 1.00 . A A . 1 LEU H3 1 1 11 2670 1 1 1 LEU HA H -10.400 4.988 1.160 1.00 . A A . 1 LEU HA 1 1 11 2671 1 1 1 LEU HB2 H -12.069 7.514 1.207 1.00 . A A . 1 LEU HB2 1 1 11 2672 1 1 1 LEU HB3 H -10.358 7.468 0.864 1.00 . A A . 1 LEU HB3 1 1 11 2673 1 1 1 LEU HD11 H -10.835 5.838 -2.518 1.00 . A A . 1 LEU HD11 1 1 11 2674 1 1 1 LEU HD12 H -10.882 4.794 -1.098 1.00 . A A . 1 LEU HD12 1 1 11 2675 1 1 1 LEU HD13 H -9.643 6.042 -1.233 1.00 . A A . 1 LEU HD13 1 1 11 2676 1 1 1 LEU HD21 H -13.269 6.462 -2.049 1.00 . A A . 1 LEU HD21 1 1 11 2677 1 1 1 LEU HD22 H -13.694 7.126 -0.472 1.00 . A A . 1 LEU HD22 1 1 11 2678 1 1 1 LEU HD23 H -13.249 5.427 -0.622 1.00 . A A . 1 LEU HD23 1 1 11 2679 1 1 1 LEU HG H -11.425 7.749 -1.212 1.00 . A A . 1 LEU HG 1 1 11 2680 1 1 1 LEU N N -12.433 4.873 1.631 1.00 . A A . 1 LEU N 1 1 11 2681 1 1 1 LEU O O -11.391 6.725 3.732 1.00 . A A . 1 LEU O 1 1 11 2682 1 1 2 VAL C C -7.483 5.689 4.777 1.00 . A A . 2 VAL C 1 1 11 2683 1 1 2 VAL CA C -9.019 5.658 4.785 1.00 . A A . 2 VAL CA 1 1 11 2684 1 1 2 VAL CB C -9.538 4.642 5.854 1.00 . A A . 2 VAL CB 1 1 11 2685 1 1 2 VAL CG1 C -10.928 5.037 6.322 1.00 . A A . 2 VAL CG1 1 1 11 2686 1 1 2 VAL CG2 C -9.549 3.198 5.340 1.00 . A A . 2 VAL CG2 1 1 11 2687 1 1 2 VAL H H -9.083 4.813 2.837 1.00 . A A . 2 VAL H 1 1 11 2688 1 1 2 VAL HA H -9.363 6.639 5.082 1.00 . A A . 2 VAL HA 1 1 11 2689 1 1 2 VAL HB H -8.877 4.690 6.707 1.00 . A A . 2 VAL HB 1 1 11 2690 1 1 2 VAL HG11 H -11.275 4.329 7.059 1.00 . A A . 2 VAL HG11 1 1 11 2691 1 1 2 VAL HG12 H -11.604 5.042 5.479 1.00 . A A . 2 VAL HG12 1 1 11 2692 1 1 2 VAL HG13 H -10.894 6.023 6.761 1.00 . A A . 2 VAL HG13 1 1 11 2693 1 1 2 VAL HG21 H -10.113 3.148 4.420 1.00 . A A . 2 VAL HG21 1 1 11 2694 1 1 2 VAL HG22 H -10.008 2.558 6.079 1.00 . A A . 2 VAL HG22 1 1 11 2695 1 1 2 VAL HG23 H -8.537 2.870 5.160 1.00 . A A . 2 VAL HG23 1 1 11 2696 1 1 2 VAL N N -9.567 5.409 3.445 1.00 . A A . 2 VAL N 1 1 11 2697 1 1 2 VAL O O -6.887 6.728 5.078 1.00 . A A . 2 VAL O 1 1 11 2698 1 1 3 PHE C C -4.914 3.520 3.273 1.00 . A A . 3 PHE C 1 1 11 2699 1 1 3 PHE CA C -5.382 4.459 4.390 1.00 . A A . 3 PHE CA 1 1 11 2700 1 1 3 PHE CB C -4.814 3.986 5.744 1.00 . A A . 3 PHE CB 1 1 11 2701 1 1 3 PHE CD1 C -3.995 5.981 7.034 1.00 . A A . 3 PHE CD1 1 1 11 2702 1 1 3 PHE CD2 C -6.033 4.947 7.719 1.00 . A A . 3 PHE CD2 1 1 11 2703 1 1 3 PHE CE1 C -4.118 6.906 8.054 1.00 . A A . 3 PHE CE1 1 1 11 2704 1 1 3 PHE CE2 C -6.160 5.869 8.741 1.00 . A A . 3 PHE CE2 1 1 11 2705 1 1 3 PHE CG C -4.951 4.993 6.854 1.00 . A A . 3 PHE CG 1 1 11 2706 1 1 3 PHE CZ C -5.201 6.849 8.909 1.00 . A A . 3 PHE CZ 1 1 11 2707 1 1 3 PHE H H -7.381 3.765 4.202 1.00 . A A . 3 PHE H 1 1 11 2708 1 1 3 PHE HA H -5.001 5.448 4.183 1.00 . A A . 3 PHE HA 1 1 11 2709 1 1 3 PHE HB2 H -5.332 3.089 6.048 1.00 . A A . 3 PHE HB2 1 1 11 2710 1 1 3 PHE HB3 H -3.763 3.763 5.625 1.00 . A A . 3 PHE HB3 1 1 11 2711 1 1 3 PHE HD1 H -3.148 6.027 6.366 1.00 . A A . 3 PHE HD1 1 1 11 2712 1 1 3 PHE HD2 H -6.782 4.181 7.590 1.00 . A A . 3 PHE HD2 1 1 11 2713 1 1 3 PHE HE1 H -3.367 7.671 8.184 1.00 . A A . 3 PHE HE1 1 1 11 2714 1 1 3 PHE HE2 H -7.009 5.823 9.408 1.00 . A A . 3 PHE HE2 1 1 11 2715 1 1 3 PHE HZ H -5.300 7.570 9.708 1.00 . A A . 3 PHE HZ 1 1 11 2716 1 1 3 PHE N N -6.849 4.553 4.434 1.00 . A A . 3 PHE N 1 1 11 2717 1 1 3 PHE O O -4.134 3.925 2.404 1.00 . A A . 3 PHE O 1 1 11 2718 1 1 4 PHE C C -5.419 1.666 0.851 1.00 . A A . 4 PHE C 1 1 11 2719 1 1 4 PHE CA C -5.029 1.257 2.280 1.00 . A A . 4 PHE CA 1 1 11 2720 1 1 4 PHE CB C -5.614 -0.129 2.632 1.00 . A A . 4 PHE CB 1 1 11 2721 1 1 4 PHE CD1 C -7.650 0.037 4.101 1.00 . A A . 4 PHE CD1 1 1 11 2722 1 1 4 PHE CD2 C -7.964 -0.423 1.782 1.00 . A A . 4 PHE CD2 1 1 11 2723 1 1 4 PHE CE1 C -9.018 -0.008 4.296 1.00 . A A . 4 PHE CE1 1 1 11 2724 1 1 4 PHE CE2 C -9.332 -0.466 1.972 1.00 . A A . 4 PHE CE2 1 1 11 2725 1 1 4 PHE CG C -7.109 -0.169 2.843 1.00 . A A . 4 PHE CG 1 1 11 2726 1 1 4 PHE CZ C -9.859 -0.259 3.231 1.00 . A A . 4 PHE CZ 1 1 11 2727 1 1 4 PHE H H -6.063 2.024 3.975 1.00 . A A . 4 PHE H 1 1 11 2728 1 1 4 PHE HA H -3.952 1.184 2.317 1.00 . A A . 4 PHE HA 1 1 11 2729 1 1 4 PHE HB2 H -5.382 -0.815 1.832 1.00 . A A . 4 PHE HB2 1 1 11 2730 1 1 4 PHE HB3 H -5.144 -0.482 3.539 1.00 . A A . 4 PHE HB3 1 1 11 2731 1 1 4 PHE HD1 H -6.993 0.235 4.934 1.00 . A A . 4 PHE HD1 1 1 11 2732 1 1 4 PHE HD2 H -7.552 -0.584 0.797 1.00 . A A . 4 PHE HD2 1 1 11 2733 1 1 4 PHE HE1 H -9.427 0.154 5.283 1.00 . A A . 4 PHE HE1 1 1 11 2734 1 1 4 PHE HE2 H -9.987 -0.663 1.136 1.00 . A A . 4 PHE HE2 1 1 11 2735 1 1 4 PHE HZ H -10.928 -0.294 3.381 1.00 . A A . 4 PHE HZ 1 1 11 2736 1 1 4 PHE N N -5.417 2.270 3.281 1.00 . A A . 4 PHE N 1 1 11 2737 1 1 4 PHE O O -4.595 1.575 -0.064 1.00 . A A . 4 PHE O 1 1 11 2738 1 1 5 ALA C C -6.284 3.594 -1.336 1.00 . A A . 5 ALA C 1 1 11 2739 1 1 5 ALA CA C -7.198 2.589 -0.622 1.00 . A A . 5 ALA CA 1 1 11 2740 1 1 5 ALA CB C -8.587 3.181 -0.444 1.00 . A A . 5 ALA CB 1 1 11 2741 1 1 5 ALA H H -7.241 2.234 1.476 1.00 . A A . 5 ALA H 1 1 11 2742 1 1 5 ALA HA H -7.292 1.710 -1.241 1.00 . A A . 5 ALA HA 1 1 11 2743 1 1 5 ALA HB1 H -8.520 4.081 0.148 1.00 . A A . 5 ALA HB1 1 1 11 2744 1 1 5 ALA HB2 H -9.222 2.466 0.058 1.00 . A A . 5 ALA HB2 1 1 11 2745 1 1 5 ALA HB3 H -9.004 3.417 -1.411 1.00 . A A . 5 ALA HB3 1 1 11 2746 1 1 5 ALA N N -6.662 2.159 0.687 1.00 . A A . 5 ALA N 1 1 11 2747 1 1 5 ALA O O -6.254 3.644 -2.570 1.00 . A A . 5 ALA O 1 1 11 2748 1 1 6 GLU C C -3.177 4.842 -1.019 1.00 . A A . 6 GLU C 1 1 11 2749 1 1 6 GLU CA C -4.615 5.374 -1.082 1.00 . A A . 6 GLU CA 1 1 11 2750 1 1 6 GLU CB C -4.738 6.729 -0.344 1.00 . A A . 6 GLU CB 1 1 11 2751 1 1 6 GLU CD C -4.827 8.012 1.840 1.00 . A A . 6 GLU CD 1 1 11 2752 1 1 6 GLU CG C -4.672 6.655 1.183 1.00 . A A . 6 GLU CG 1 1 11 2753 1 1 6 GLU H H -5.648 4.305 0.425 1.00 . A A . 6 GLU H 1 1 11 2754 1 1 6 GLU HA H -4.870 5.525 -2.122 1.00 . A A . 6 GLU HA 1 1 11 2755 1 1 6 GLU HB2 H -3.939 7.373 -0.678 1.00 . A A . 6 GLU HB2 1 1 11 2756 1 1 6 GLU HB3 H -5.681 7.180 -0.617 1.00 . A A . 6 GLU HB3 1 1 11 2757 1 1 6 GLU HG2 H -5.463 6.011 1.534 1.00 . A A . 6 GLU HG2 1 1 11 2758 1 1 6 GLU HG3 H -3.717 6.239 1.470 1.00 . A A . 6 GLU HG3 1 1 11 2759 1 1 6 GLU N N -5.552 4.387 -0.547 1.00 . A A . 6 GLU N 1 1 11 2760 1 1 6 GLU O O -2.394 5.048 -1.951 1.00 . A A . 6 GLU O 1 1 11 2761 1 1 6 GLU OE1 O -3.801 8.695 2.043 1.00 . A A . 6 GLU OE1 1 1 11 2762 1 1 6 GLU OE2 O -5.976 8.394 2.153 1.00 . A A . 6 GLU OE2 1 1 11 2763 1 1 7 ASP C C -1.211 2.369 -0.609 1.00 . A A . 7 ASP C 1 1 11 2764 1 1 7 ASP CA C -1.501 3.584 0.295 1.00 . A A . 7 ASP CA 1 1 11 2765 1 1 7 ASP CB C -1.302 3.195 1.761 1.00 . A A . 7 ASP CB 1 1 11 2766 1 1 7 ASP CG C -0.961 4.388 2.635 1.00 . A A . 7 ASP CG 1 1 11 2767 1 1 7 ASP H H -3.518 4.037 0.794 1.00 . A A . 7 ASP H 1 1 11 2768 1 1 7 ASP HA H -0.789 4.359 0.052 1.00 . A A . 7 ASP HA 1 1 11 2769 1 1 7 ASP HB2 H -2.210 2.747 2.135 1.00 . A A . 7 ASP HB2 1 1 11 2770 1 1 7 ASP HB3 H -0.496 2.479 1.831 1.00 . A A . 7 ASP HB3 1 1 11 2771 1 1 7 ASP N N -2.843 4.158 0.092 1.00 . A A . 7 ASP N 1 1 11 2772 1 1 7 ASP O O -0.047 1.989 -0.764 1.00 . A A . 7 ASP O 1 1 11 2773 1 1 7 ASP OD1 O 0.236 4.735 2.725 1.00 . A A . 7 ASP OD1 1 1 11 2774 1 1 7 ASP OD2 O -1.889 4.976 3.229 1.00 . A A . 7 ASP OD2 1 1 11 2775 1 1 8 VAL C C -1.134 0.794 -3.268 1.00 . A A . 8 VAL C 1 1 11 2776 1 1 8 VAL CA C -2.117 0.583 -2.100 1.00 . A A . 8 VAL CA 1 1 11 2777 1 1 8 VAL CB C -3.471 0.087 -2.687 1.00 . A A . 8 VAL CB 1 1 11 2778 1 1 8 VAL CG1 C -4.167 -0.847 -1.711 1.00 . A A . 8 VAL CG1 1 1 11 2779 1 1 8 VAL CG2 C -4.396 1.243 -3.077 1.00 . A A . 8 VAL CG2 1 1 11 2780 1 1 8 VAL H H -3.169 2.124 -1.045 1.00 . A A . 8 VAL H 1 1 11 2781 1 1 8 VAL HA H -1.727 -0.216 -1.484 1.00 . A A . 8 VAL HA 1 1 11 2782 1 1 8 VAL HB H -3.254 -0.479 -3.582 1.00 . A A . 8 VAL HB 1 1 11 2783 1 1 8 VAL HG11 H -3.544 -1.714 -1.537 1.00 . A A . 8 VAL HG11 1 1 11 2784 1 1 8 VAL HG12 H -5.114 -1.161 -2.124 1.00 . A A . 8 VAL HG12 1 1 11 2785 1 1 8 VAL HG13 H -4.334 -0.333 -0.776 1.00 . A A . 8 VAL HG13 1 1 11 2786 1 1 8 VAL HG21 H -5.318 0.849 -3.476 1.00 . A A . 8 VAL HG21 1 1 11 2787 1 1 8 VAL HG22 H -3.912 1.854 -3.823 1.00 . A A . 8 VAL HG22 1 1 11 2788 1 1 8 VAL HG23 H -4.608 1.844 -2.204 1.00 . A A . 8 VAL HG23 1 1 11 2789 1 1 8 VAL N N -2.265 1.770 -1.211 1.00 . A A . 8 VAL N 1 1 11 2790 1 1 8 VAL O O -0.671 -0.182 -3.867 1.00 . A A . 8 VAL O 1 1 11 2791 1 1 9 GLY C C 1.554 2.011 -4.352 1.00 . A A . 9 GLY C 1 1 11 2792 1 1 9 GLY CA C 0.105 2.380 -4.669 1.00 . A A . 9 GLY CA 1 1 11 2793 1 1 9 GLY H H -1.229 2.790 -3.068 1.00 . A A . 9 GLY H 1 1 11 2794 1 1 9 GLY HA2 H -0.201 1.845 -5.555 1.00 . A A . 9 GLY HA2 1 1 11 2795 1 1 9 GLY HA3 H 0.054 3.440 -4.869 1.00 . A A . 9 GLY HA3 1 1 11 2796 1 1 9 GLY N N -0.823 2.062 -3.582 1.00 . A A . 9 GLY N 1 1 11 2797 1 1 9 GLY O O 2.350 1.778 -5.266 1.00 . A A . 9 GLY O 1 1 11 2798 1 1 10 SER C C 3.157 0.727 -1.333 1.00 . A A . 10 SER C 1 1 11 2799 1 1 10 SER CA C 3.228 1.616 -2.585 1.00 . A A . 10 SER CA 1 1 11 2800 1 1 10 SER CB C 4.027 2.896 -2.287 1.00 . A A . 10 SER CB 1 1 11 2801 1 1 10 SER H H 1.191 2.167 -2.386 1.00 . A A . 10 SER H 1 1 11 2802 1 1 10 SER HA H 3.718 1.070 -3.377 1.00 . A A . 10 SER HA 1 1 11 2803 1 1 10 SER HB2 H 3.472 3.509 -1.594 1.00 . A A . 10 SER HB2 1 1 11 2804 1 1 10 SER HB3 H 4.979 2.635 -1.851 1.00 . A A . 10 SER HB3 1 1 11 2805 1 1 10 SER HG H 4.631 3.070 -4.144 1.00 . A A . 10 SER HG 1 1 11 2806 1 1 10 SER N N 1.881 1.962 -3.052 1.00 . A A . 10 SER N 1 1 11 2807 1 1 10 SER O O 3.847 -0.303 -1.242 1.00 . A A . 10 SER O 1 1 11 2808 1 1 10 SER OG O 4.255 3.643 -3.471 1.00 . A A . 10 SER OG 1 1 11 2809 1 1 11 ASN C C 3.340 -0.106 1.584 1.00 . A A . 11 ASN C 1 1 11 2810 1 1 11 ASN CA C 2.058 0.447 0.918 1.00 . A A . 11 ASN CA 1 1 11 2811 1 1 11 ASN CB C 0.972 -0.651 0.757 1.00 . A A . 11 ASN CB 1 1 11 2812 1 1 11 ASN CG C 1.333 -1.750 -0.235 1.00 . A A . 11 ASN CG 1 1 11 2813 1 1 11 ASN H H 1.774 1.953 -0.554 1.00 . A A . 11 ASN H 1 1 11 2814 1 1 11 ASN HA H 1.668 1.197 1.586 1.00 . A A . 11 ASN HA 1 1 11 2815 1 1 11 ASN HB2 H 0.798 -1.112 1.717 1.00 . A A . 11 ASN HB2 1 1 11 2816 1 1 11 ASN HB3 H 0.054 -0.184 0.425 1.00 . A A . 11 ASN HB3 1 1 11 2817 1 1 11 ASN HD21 H 2.163 -2.821 1.220 1.00 . A A . 11 ASN HD21 1 1 11 2818 1 1 11 ASN HD22 H 2.211 -3.529 -0.355 1.00 . A A . 11 ASN HD22 1 1 11 2819 1 1 11 ASN N N 2.298 1.142 -0.374 1.00 . A A . 11 ASN N 1 1 11 2820 1 1 11 ASN ND2 N 1.968 -2.807 0.260 1.00 . A A . 11 ASN ND2 1 1 11 2821 1 1 11 ASN O O 4.461 0.242 1.180 1.00 . A A . 11 ASN O 1 1 11 2822 1 1 11 ASN OD1 O 1.045 -1.646 -1.427 1.00 . A A . 11 ASN OD1 1 1 11 2823 1 1 12 LYS C C 5.305 -2.175 2.423 1.00 . A A . 12 LYS C 1 1 11 2824 1 1 12 LYS CA C 4.250 -1.582 3.369 1.00 . A A . 12 LYS CA 1 1 11 2825 1 1 12 LYS CB C 3.695 -2.676 4.300 1.00 . A A . 12 LYS CB 1 1 11 2826 1 1 12 LYS CD C 3.958 -1.861 6.680 1.00 . A A . 12 LYS CD 1 1 11 2827 1 1 12 LYS CE C 4.743 -1.998 7.975 1.00 . A A . 12 LYS CE 1 1 11 2828 1 1 12 LYS CG C 4.460 -2.830 5.615 1.00 . A A . 12 LYS CG 1 1 11 2829 1 1 12 LYS H H 2.229 -1.168 2.882 1.00 . A A . 12 LYS H 1 1 11 2830 1 1 12 LYS HA H 4.710 -0.818 3.974 1.00 . A A . 12 LYS HA 1 1 11 2831 1 1 12 LYS HB2 H 2.668 -2.441 4.534 1.00 . A A . 12 LYS HB2 1 1 11 2832 1 1 12 LYS HB3 H 3.727 -3.621 3.778 1.00 . A A . 12 LYS HB3 1 1 11 2833 1 1 12 LYS HD2 H 4.063 -0.851 6.313 1.00 . A A . 12 LYS HD2 1 1 11 2834 1 1 12 LYS HD3 H 2.916 -2.068 6.877 1.00 . A A . 12 LYS HD3 1 1 11 2835 1 1 12 LYS HE2 H 4.611 -2.999 8.357 1.00 . A A . 12 LYS HE2 1 1 11 2836 1 1 12 LYS HE3 H 5.788 -1.827 7.766 1.00 . A A . 12 LYS HE3 1 1 11 2837 1 1 12 LYS HG2 H 4.335 -3.839 5.977 1.00 . A A . 12 LYS HG2 1 1 11 2838 1 1 12 LYS HG3 H 5.507 -2.640 5.434 1.00 . A A . 12 LYS HG3 1 1 11 2839 1 1 12 LYS HZ1 H 4.413 -0.051 8.656 1.00 . A A . 12 LYS HZ1 1 1 11 2840 1 1 12 LYS HZ2 H 4.840 -1.140 9.877 1.00 . A A . 12 LYS HZ2 1 1 11 2841 1 1 12 LYS HZ3 H 3.282 -1.174 9.221 1.00 . A A . 12 LYS HZ3 1 1 11 2842 1 1 12 LYS N N 3.149 -0.957 2.619 1.00 . A A . 12 LYS N 1 1 11 2843 1 1 12 LYS NZ N 4.287 -1.023 9.004 1.00 . A A . 12 LYS NZ 1 1 11 2844 1 1 12 LYS O O 6.505 -1.901 2.568 1.00 . A A . 12 LYS O 1 1 11 2845 1 1 13 GLY C C 6.667 -2.656 -0.256 1.00 . A A . 13 GLY C 1 1 11 2846 1 1 13 GLY CA C 5.666 -3.580 0.419 1.00 . A A . 13 GLY CA 1 1 11 2847 1 1 13 GLY H H 3.843 -3.030 1.342 1.00 . A A . 13 GLY H 1 1 11 2848 1 1 13 GLY HA2 H 6.210 -4.375 0.907 1.00 . A A . 13 GLY HA2 1 1 11 2849 1 1 13 GLY HA3 H 5.032 -4.016 -0.340 1.00 . A A . 13 GLY HA3 1 1 11 2850 1 1 13 GLY N N 4.814 -2.923 1.412 1.00 . A A . 13 GLY N 1 1 11 2851 1 1 13 GLY O O 7.837 -3.026 -0.404 1.00 . A A . 13 GLY O 1 1 11 2852 1 1 14 ALA C C 7.793 0.421 -0.299 1.00 . A A . 14 ALA C 1 1 11 2853 1 1 14 ALA CA C 7.120 -0.505 -1.316 1.00 . A A . 14 ALA CA 1 1 11 2854 1 1 14 ALA CB C 6.393 0.307 -2.373 1.00 . A A . 14 ALA CB 1 1 11 2855 1 1 14 ALA H H 5.270 -1.222 -0.547 1.00 . A A . 14 ALA H 1 1 11 2856 1 1 14 ALA HA H 7.889 -1.078 -1.816 1.00 . A A . 14 ALA HA 1 1 11 2857 1 1 14 ALA HB1 H 6.909 1.242 -2.529 1.00 . A A . 14 ALA HB1 1 1 11 2858 1 1 14 ALA HB2 H 5.387 0.500 -2.037 1.00 . A A . 14 ALA HB2 1 1 11 2859 1 1 14 ALA HB3 H 6.361 -0.248 -3.299 1.00 . A A . 14 ALA HB3 1 1 11 2860 1 1 14 ALA N N 6.219 -1.459 -0.670 1.00 . A A . 14 ALA N 1 1 11 2861 1 1 14 ALA O O 8.999 0.689 -0.417 1.00 . A A . 14 ALA O 1 1 11 2862 1 1 15 ILE C C 8.681 1.112 2.600 1.00 . A A . 15 ILE C 1 1 11 2863 1 1 15 ILE CA C 7.603 1.802 1.739 1.00 . A A . 15 ILE CA 1 1 11 2864 1 1 15 ILE CB C 6.536 2.485 2.656 1.00 . A A . 15 ILE CB 1 1 11 2865 1 1 15 ILE CD1 C 5.348 1.973 4.872 1.00 . A A . 15 ILE CD1 1 1 11 2866 1 1 15 ILE CG1 C 5.751 1.464 3.500 1.00 . A A . 15 ILE CG1 1 1 11 2867 1 1 15 ILE CG2 C 5.583 3.337 1.818 1.00 . A A . 15 ILE CG2 1 1 11 2868 1 1 15 ILE H H 6.080 0.635 0.777 1.00 . A A . 15 ILE H 1 1 11 2869 1 1 15 ILE HA H 8.098 2.592 1.189 1.00 . A A . 15 ILE HA 1 1 11 2870 1 1 15 ILE HB H 7.063 3.153 3.323 1.00 . A A . 15 ILE HB 1 1 11 2871 1 1 15 ILE HD11 H 4.684 2.820 4.761 1.00 . A A . 15 ILE HD11 1 1 11 2872 1 1 15 ILE HD12 H 6.230 2.277 5.417 1.00 . A A . 15 ILE HD12 1 1 11 2873 1 1 15 ILE HD13 H 4.842 1.188 5.414 1.00 . A A . 15 ILE HD13 1 1 11 2874 1 1 15 ILE HG12 H 4.849 1.193 2.973 1.00 . A A . 15 ILE HG12 1 1 11 2875 1 1 15 ILE HG13 H 6.362 0.584 3.639 1.00 . A A . 15 ILE HG13 1 1 11 2876 1 1 15 ILE HG21 H 6.145 4.103 1.302 1.00 . A A . 15 ILE HG21 1 1 11 2877 1 1 15 ILE HG22 H 4.852 3.801 2.463 1.00 . A A . 15 ILE HG22 1 1 11 2878 1 1 15 ILE HG23 H 5.081 2.711 1.096 1.00 . A A . 15 ILE HG23 1 1 11 2879 1 1 15 ILE N N 7.031 0.893 0.718 1.00 . A A . 15 ILE N 1 1 11 2880 1 1 15 ILE O O 9.575 1.788 3.117 1.00 . A A . 15 ILE O 1 1 11 2881 1 1 16 ILE C C 10.778 -1.367 2.612 1.00 . A A . 16 ILE C 1 1 11 2882 1 1 16 ILE CA C 9.596 -0.972 3.523 1.00 . A A . 16 ILE CA 1 1 11 2883 1 1 16 ILE CB C 8.976 -2.214 4.266 1.00 . A A . 16 ILE CB 1 1 11 2884 1 1 16 ILE CD1 C 9.402 -1.796 6.757 1.00 . A A . 16 ILE CD1 1 1 11 2885 1 1 16 ILE CG1 C 9.800 -2.571 5.515 1.00 . A A . 16 ILE CG1 1 1 11 2886 1 1 16 ILE CG2 C 8.831 -3.447 3.368 1.00 . A A . 16 ILE CG2 1 1 11 2887 1 1 16 ILE H H 7.846 -0.715 2.335 1.00 . A A . 16 ILE H 1 1 11 2888 1 1 16 ILE HA H 9.973 -0.294 4.277 1.00 . A A . 16 ILE HA 1 1 11 2889 1 1 16 ILE HB H 7.984 -1.935 4.587 1.00 . A A . 16 ILE HB 1 1 11 2890 1 1 16 ILE HD11 H 10.034 -2.090 7.582 1.00 . A A . 16 ILE HD11 1 1 11 2891 1 1 16 ILE HD12 H 8.372 -2.009 7.000 1.00 . A A . 16 ILE HD12 1 1 11 2892 1 1 16 ILE HD13 H 9.518 -0.738 6.574 1.00 . A A . 16 ILE HD13 1 1 11 2893 1 1 16 ILE HG12 H 9.677 -3.622 5.730 1.00 . A A . 16 ILE HG12 1 1 11 2894 1 1 16 ILE HG13 H 10.843 -2.370 5.318 1.00 . A A . 16 ILE HG13 1 1 11 2895 1 1 16 ILE HG21 H 9.802 -3.737 2.996 1.00 . A A . 16 ILE HG21 1 1 11 2896 1 1 16 ILE HG22 H 8.182 -3.213 2.537 1.00 . A A . 16 ILE HG22 1 1 11 2897 1 1 16 ILE HG23 H 8.406 -4.260 3.939 1.00 . A A . 16 ILE HG23 1 1 11 2898 1 1 16 ILE N N 8.592 -0.228 2.750 1.00 . A A . 16 ILE N 1 1 11 2899 1 1 16 ILE O O 11.937 -1.334 3.037 1.00 . A A . 16 ILE O 1 1 11 2900 1 1 17 GLY C C 12.282 -0.933 -0.133 1.00 . A A . 17 GLY C 1 1 11 2901 1 1 17 GLY CA C 11.459 -2.115 0.369 1.00 . A A . 17 GLY CA 1 1 11 2902 1 1 17 GLY H H 9.506 -1.755 1.107 1.00 . A A . 17 GLY H 1 1 11 2903 1 1 17 GLY HA2 H 12.127 -2.837 0.812 1.00 . A A . 17 GLY HA2 1 1 11 2904 1 1 17 GLY HA3 H 10.962 -2.573 -0.473 1.00 . A A . 17 GLY HA3 1 1 11 2905 1 1 17 GLY N N 10.453 -1.737 1.359 1.00 . A A . 17 GLY N 1 1 11 2906 1 1 17 GLY O O 13.484 -1.072 -0.375 1.00 . A A . 17 GLY O 1 1 11 2907 1 1 18 LEU C C 12.769 1.344 -2.208 1.00 . A A . 18 LEU C 1 1 11 2908 1 1 18 LEU CA C 12.255 1.490 -0.766 1.00 . A A . 18 LEU CA 1 1 11 2909 1 1 18 LEU CB C 13.398 1.947 0.176 1.00 . A A . 18 LEU CB 1 1 11 2910 1 1 18 LEU CD1 C 12.846 4.267 1.002 1.00 . A A . 18 LEU CD1 1 1 11 2911 1 1 18 LEU CD2 C 15.220 3.645 0.510 1.00 . A A . 18 LEU CD2 1 1 11 2912 1 1 18 LEU CG C 13.766 3.440 0.111 1.00 . A A . 18 LEU CG 1 1 11 2913 1 1 18 LEU H H 10.665 0.266 -0.055 1.00 . A A . 18 LEU H 1 1 11 2914 1 1 18 LEU HA H 11.490 2.251 -0.763 1.00 . A A . 18 LEU HA 1 1 11 2915 1 1 18 LEU HB2 H 13.109 1.716 1.190 1.00 . A A . 18 LEU HB2 1 1 11 2916 1 1 18 LEU HB3 H 14.282 1.374 -0.065 1.00 . A A . 18 LEU HB3 1 1 11 2917 1 1 18 LEU HD11 H 11.826 4.156 0.668 1.00 . A A . 18 LEU HD11 1 1 11 2918 1 1 18 LEU HD12 H 13.132 5.308 0.946 1.00 . A A . 18 LEU HD12 1 1 11 2919 1 1 18 LEU HD13 H 12.930 3.925 2.023 1.00 . A A . 18 LEU HD13 1 1 11 2920 1 1 18 LEU HD21 H 15.373 3.275 1.513 1.00 . A A . 18 LEU HD21 1 1 11 2921 1 1 18 LEU HD22 H 15.457 4.698 0.475 1.00 . A A . 18 LEU HD22 1 1 11 2922 1 1 18 LEU HD23 H 15.860 3.109 -0.174 1.00 . A A . 18 LEU HD23 1 1 11 2923 1 1 18 LEU HG H 13.646 3.788 -0.905 1.00 . A A . 18 LEU HG 1 1 11 2924 1 1 18 LEU N N 11.619 0.239 -0.283 1.00 . A A . 18 LEU N 1 1 11 2925 1 1 18 LEU O O 12.213 2.020 -3.100 1.00 . A A . 18 LEU O 1 1 11 2926 1 1 18 LEU OXT O 13.710 0.551 -2.432 1.00 . A A . 18 LEU OXT 1 1 stop_ save_
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