NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
566858 | 2md3 | 19470 | cing | 4-filtered-FRED | STAR | entry | full | 44 |
data_FRED_restraints_with_modified_coordinates_PDB_code_2md3 # This FRED archive file contains, for PDB entry <2md3>: # # - 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_2md3 _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 2md3 _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "not present" _Assembly.Molecular_mass 950.14 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 $Lactotransferrin A . 1 1 stop_ save_ save_Lactotransferrin _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name Lactotransferrin _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code KFGKNKSR _Entity.Number_of_monomers 8 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 LYS . 1 1 2 PHE . 1 1 3 GLY . 1 1 4 LYS . 1 1 5 ASN . 1 1 6 LYS . 1 1 7 SER . 1 1 8 ARG . 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 LYS 1 1 1 1 PHE 2 2 1 1 GLY 3 3 1 1 LYS 4 4 1 1 ASN 5 5 1 1 LYS 6 6 1 1 SER 7 7 1 1 ARG 8 8 1 1 stop_ save_ save_DYANA/DIANA_distance_constraints_2_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID . _Distance_constraint_list.Block_ID . loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . 1 1 2 1 . . . 1 1 3 1 . . . 1 1 4 1 . . . 1 1 5 1 . . . 1 1 6 1 . . . 1 1 7 1 . . . 1 1 8 1 . . . 1 1 9 1 . . . 1 1 10 1 . . . 1 1 11 1 . . . 1 1 12 1 . . . 1 1 13 1 . . . 1 1 14 1 . . . 1 1 15 1 . . . 1 1 16 1 . . . 1 1 17 1 . . . 1 1 18 1 . . . 1 1 19 1 . . . 1 1 20 1 . . . 1 1 21 1 . . . 1 1 22 1 . . . 1 1 23 1 . . . 1 1 24 1 . . . 1 1 25 1 . . . 1 1 26 1 . . . 1 1 27 1 . . . 1 1 28 1 . . . 1 1 29 1 . . . 1 1 30 1 . . . 1 1 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 1 1 1 LYS H1 . 1 LYS H 1 1 1 1 2 1 1 1 LYS QB . 1 LYS QB 1 1 2 1 1 1 1 1 LYS H1 . 1 LYS H 1 1 2 1 2 1 1 1 LYS QD . 1 LYS QD 1 1 3 1 1 1 1 1 LYS H1 . 1 LYS H 1 1 3 1 2 1 1 1 LYS QG . 1 LYS QG 1 1 4 1 1 1 1 1 LYS H1 . 1 LYS H 1 1 4 1 2 1 1 2 PHE H . 2 PHE H 1 1 5 1 1 1 1 1 LYS HA . 1 LYS HA 1 1 5 1 2 1 1 2 PHE H . 2 PHE H 1 1 6 1 1 1 1 2 PHE H . 2 PHE H 1 1 6 1 2 1 1 2 PHE QB . 2 PHE QB 1 1 7 1 1 1 1 2 PHE H . 2 PHE H 1 1 7 1 2 1 1 3 GLY H . 3 GLY H 1 1 8 1 1 1 1 2 PHE HA . 2 PHE HA 1 1 8 1 2 1 1 3 GLY H . 3 GLY H 1 1 9 1 1 1 1 3 GLY H . 3 GLY H 1 1 9 1 2 1 1 4 LYS H . 4 LYS H 1 1 10 1 1 1 1 4 LYS H . 4 LYS H 1 1 10 1 2 1 1 4 LYS QB . 4 LYS QB 1 1 11 1 1 1 1 4 LYS H . 4 LYS H 1 1 11 1 2 1 1 4 LYS QD . 4 LYS QD 1 1 12 1 1 1 1 4 LYS H . 4 LYS H 1 1 12 1 2 1 1 4 LYS QG . 4 LYS QG 1 1 13 1 1 1 1 4 LYS H . 4 LYS H 1 1 13 1 2 1 1 5 ASN H . 5 ASN H 1 1 14 1 1 1 1 4 LYS HA . 4 LYS HA 1 1 14 1 2 1 1 5 ASN H . 5 ASN H 1 1 15 1 1 1 1 4 LYS QB . 4 LYS QB 1 1 15 1 2 1 1 5 ASN H . 5 ASN H 1 1 16 1 1 1 1 4 LYS QD . 4 LYS QD 1 1 16 1 2 1 1 5 ASN H . 5 ASN H 1 1 17 1 1 1 1 4 LYS QG . 4 LYS QG 1 1 17 1 2 1 1 5 ASN H . 5 ASN H 1 1 18 1 1 1 1 5 ASN H . 5 ASN H 1 1 18 1 2 1 1 5 ASN QB . 5 ASN QB 1 1 19 1 1 1 1 5 ASN H . 5 ASN H 1 1 19 1 2 1 1 6 LYS H . 6 LYS H 1 1 20 1 1 1 1 5 ASN HA . 5 ASN HA 1 1 20 1 2 1 1 6 LYS H . 6 LYS H 1 1 21 1 1 1 1 6 LYS H . 6 LYS H 1 1 21 1 2 1 1 6 LYS QB . 6 LYS QB 1 1 22 1 1 1 1 6 LYS H . 6 LYS H 1 1 22 1 2 1 1 6 LYS QD . 6 LYS QD 1 1 23 1 1 1 1 6 LYS H . 6 LYS H 1 1 23 1 2 1 1 6 LYS QG . 6 LYS QG 1 1 24 1 1 1 1 6 LYS H . 6 LYS H 1 1 24 1 2 1 1 7 SER H . 7 SER H 1 1 25 1 1 1 1 6 LYS HA . 6 LYS HA 1 1 25 1 2 1 1 7 SER H . 7 SER H 1 1 26 1 1 1 1 7 SER H . 7 SER H 1 1 26 1 2 1 1 7 SER QB . 7 SER QB 1 1 27 1 1 1 1 7 SER H . 7 SER H 1 1 27 1 2 1 1 8 ARG H . 8 ARG H 1 1 28 1 1 1 1 7 SER HA . 7 SER HA 1 1 28 1 2 1 1 8 ARG H . 8 ARG H 1 1 29 1 1 1 1 8 ARG H . 8 ARG H 1 1 29 1 2 1 1 8 ARG QB . 8 ARG QB 1 1 30 1 1 1 1 8 ARG H . 8 ARG H 1 1 30 1 2 1 1 8 ARG QD . 8 ARG QD 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 . . . . . . . 3.3 1 1 2 1 . . . . . . . 4.0 1 1 3 1 . . . . . . . 3.8 1 1 4 1 . . . . . . . 2.8 1 1 5 1 . . . . . . . 3.0 1 1 6 1 . . . . . . . 3.3 1 1 7 1 . . . . . . . 2.8 1 1 8 1 . . . . . . . 3.5 1 1 9 1 . . . . . . . 2.8 1 1 10 1 . . . . . . . 3.3 1 1 11 1 . . . . . . . 3.8 1 1 12 1 . . . . . . . 4.0 1 1 13 1 . . . . . . . 2.8 1 1 14 1 . . . . . . . 3.3 1 1 15 1 . . . . . . . 3.3 1 1 16 1 . . . . . . . 3.8 1 1 17 1 . . . . . . . 4.0 1 1 18 1 . . . . . . . 3.8 1 1 19 1 . . . . . . . 2.8 1 1 20 1 . . . . . . . 3.4 1 1 21 1 . . . . . . . 3.3 1 1 22 1 . . . . . . . 3.8 1 1 23 1 . . . . . . . 4.0 1 1 24 1 . . . . . . . 2.8 1 1 25 1 . . . . . . . 3.6 1 1 26 1 . . . . . . . 3.8 1 1 27 1 . . . . . . . 2.8 1 1 28 1 . . . . . . . 3.6 1 1 29 1 . . . . . . . 3.8 1 1 30 1 . . . . . . . 4.0 1 1 stop_ save_ save_DYANA/DIANA_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 PSI 1 1 1 LYS N 1 1 1 LYS CA 1 1 1 LYS C 1 1 2 PHE N -120.0 120.0 . 1 LYS . . 1 LYS . . 1 LYS . . 1 LYS . 1 1 2 PHI 1 1 1 LYS C 1 1 2 PHE N 1 1 2 PHE CA 1 1 2 PHE C -120.0 -30.0 . 2 PHE . . 2 PHE . . 2 PHE . . 2 PHE . 1 1 3 PSI 1 1 2 PHE N 1 1 2 PHE CA 1 1 2 PHE C 1 1 3 GLY N -120.0 120.0 . 2 PHE . . 2 PHE . . 2 PHE . . 2 PHE . 1 1 4 PHI 1 1 2 PHE C 1 1 3 GLY N 1 1 3 GLY CA 1 1 3 GLY C -120.0 -30.0 . 3 GLY . . 3 GLY . . 3 GLY . . 3 GLY . 1 1 5 PSI 1 1 3 GLY N 1 1 3 GLY CA 1 1 3 GLY C 1 1 4 LYS N -120.0 120.0 . 3 GLY . . 3 GLY . . 3 GLY . . 3 GLY . 1 1 6 PHI 1 1 3 GLY C 1 1 4 LYS N 1 1 4 LYS CA 1 1 4 LYS C -120.0 -30.0 . 4 LYS . . 4 LYS . . 4 LYS . . 4 LYS . 1 1 7 PSI 1 1 4 LYS N 1 1 4 LYS CA 1 1 4 LYS C 1 1 5 ASN N -120.0 120.0 . 4 LYS . . 4 LYS . . 4 LYS . . 4 LYS . 1 1 8 PHI 1 1 4 LYS C 1 1 5 ASN N 1 1 5 ASN CA 1 1 5 ASN C -120.0 -30.0 . 5 ASN . . 5 ASN . . 5 ASN . . 5 ASN . 1 1 9 PSI 1 1 5 ASN N 1 1 5 ASN CA 1 1 5 ASN C 1 1 6 LYS N -120.0 120.0 . 5 ASN . . 5 ASN . . 5 ASN . . 5 ASN . 1 1 10 PHI 1 1 5 ASN C 1 1 6 LYS N 1 1 6 LYS CA 1 1 6 LYS C -120.0 -30.0 . 6 LYS . . 6 LYS . . 6 LYS . . 6 LYS . 1 1 11 PSI 1 1 6 LYS N 1 1 6 LYS CA 1 1 6 LYS C 1 1 7 SER N -120.0 120.0 . 6 LYS . . 6 LYS . . 6 LYS . . 6 LYS . 1 1 12 PHI 1 1 6 LYS C 1 1 7 SER N 1 1 7 SER CA 1 1 7 SER C -120.0 -30.0 . 7 SER . . 7 SER . . 7 SER . . 7 SER . 1 1 13 PSI 1 1 7 SER N 1 1 7 SER CA 1 1 7 SER C 1 1 8 ARG N -120.0 120.0 . 7 SER . . 7 SER . . 7 SER . . 7 SER . 1 1 14 PHI 1 1 7 SER C 1 1 8 ARG N 1 1 8 ARG CA 1 1 8 ARG C -120.0 -30.0 . 8 ARG . . 8 ARG . . 8 ARG . . 8 ARG . 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 LYS C C 2.628 -1.397 -1.549 1.00 . A A . 1 LYS C 1 1 1 2 1 1 1 LYS CA C 2.094 -0.002 -1.241 1.00 . A A . 1 LYS CA 1 1 1 3 1 1 1 LYS CB C 3.255 0.991 -1.149 1.00 . A A . 1 LYS CB 1 1 1 4 1 1 1 LYS CD C 2.627 2.886 0.376 1.00 . A A . 1 LYS CD 1 1 1 5 1 1 1 LYS CE C 2.078 4.302 0.457 1.00 . A A . 1 LYS CE 1 1 1 6 1 1 1 LYS CG C 2.810 2.441 -1.065 1.00 . A A . 1 LYS CG 1 1 1 7 1 1 1 LYS H1 H 1.806 0.000 0.856 1.00 . A A . 1 LYS H1 1 1 1 8 1 1 1 LYS HA H 1.434 0.303 -2.039 1.00 . A A . 1 LYS HA 1 1 1 9 1 1 1 LYS HB2 H 3.839 0.764 -0.269 1.00 . A A . 1 LYS HB2 1 1 1 10 1 1 1 LYS HB3 H 3.880 0.878 -2.024 1.00 . A A . 1 LYS HB3 1 1 1 11 1 1 1 LYS HD2 H 1.937 2.215 0.866 1.00 . A A . 1 LYS HD2 1 1 1 12 1 1 1 LYS HD3 H 3.584 2.851 0.879 1.00 . A A . 1 LYS HD3 1 1 1 13 1 1 1 LYS HE2 H 2.872 4.965 0.762 1.00 . A A . 1 LYS HE2 1 1 1 14 1 1 1 LYS HE3 H 1.722 4.592 -0.520 1.00 . A A . 1 LYS HE3 1 1 1 15 1 1 1 LYS HG2 H 3.559 3.065 -1.531 1.00 . A A . 1 LYS HG2 1 1 1 16 1 1 1 LYS HG3 H 1.871 2.551 -1.588 1.00 . A A . 1 LYS HG3 1 1 1 17 1 1 1 LYS HZ1 H 0.941 3.571 2.050 1.00 . A A . 1 LYS HZ1 1 1 1 18 1 1 1 LYS HZ2 H 0.050 4.470 0.928 1.00 . A A . 1 LYS HZ2 1 1 1 19 1 1 1 LYS HZ3 H 1.074 5.257 2.020 1.00 . A A . 1 LYS HZ3 1 1 1 20 1 1 1 LYS N N 1.329 0.000 0.000 1.00 . A A . 1 LYS N 1 1 1 21 1 1 1 LYS NZ N 0.957 4.407 1.432 1.00 . A A . 1 LYS NZ 1 1 1 22 1 1 1 LYS O O 3.657 -1.547 -2.208 1.00 . A A . 1 LYS O 1 1 1 23 1 1 2 PHE C C 1.278 -4.541 -2.123 1.00 . A A . 2 PHE C 1 1 1 24 1 1 2 PHE CA C 2.323 -3.798 -1.296 1.00 . A A . 2 PHE CA 1 1 1 25 1 1 2 PHE CB C 2.535 -4.514 0.040 1.00 . A A . 2 PHE CB 1 1 1 26 1 1 2 PHE CD1 C 4.837 -3.572 0.375 1.00 . A A . 2 PHE CD1 1 1 1 27 1 1 2 PHE CD2 C 4.485 -5.889 0.816 1.00 . A A . 2 PHE CD2 1 1 1 28 1 1 2 PHE CE1 C 6.168 -3.706 0.722 1.00 . A A . 2 PHE CE1 1 1 1 29 1 1 2 PHE CE2 C 5.816 -6.029 1.164 1.00 . A A . 2 PHE CE2 1 1 1 30 1 1 2 PHE CG C 3.982 -4.662 0.418 1.00 . A A . 2 PHE CG 1 1 1 31 1 1 2 PHE CZ C 6.658 -4.935 1.118 1.00 . A A . 2 PHE CZ 1 1 1 32 1 1 2 PHE H H 1.109 -2.231 -0.553 1.00 . A A . 2 PHE H 1 1 1 33 1 1 2 PHE HA H 3.255 -3.787 -1.841 1.00 . A A . 2 PHE HA 1 1 1 34 1 1 2 PHE HB2 H 2.044 -3.955 0.822 1.00 . A A . 2 PHE HB2 1 1 1 35 1 1 2 PHE HB3 H 2.103 -5.502 -0.017 1.00 . A A . 2 PHE HB3 1 1 1 36 1 1 2 PHE HD1 H 4.455 -2.610 0.067 1.00 . A A . 2 PHE HD1 1 1 1 37 1 1 2 PHE HD2 H 3.827 -6.746 0.853 1.00 . A A . 2 PHE HD2 1 1 1 38 1 1 2 PHE HE1 H 6.825 -2.849 0.685 1.00 . A A . 2 PHE HE1 1 1 1 39 1 1 2 PHE HE2 H 6.195 -6.991 1.473 1.00 . A A . 2 PHE HE2 1 1 1 40 1 1 2 PHE HZ H 7.698 -5.042 1.389 1.00 . A A . 2 PHE HZ 1 1 1 41 1 1 2 PHE N N 1.921 -2.415 -1.071 1.00 . A A . 2 PHE N 1 1 1 42 1 1 2 PHE O O 1.605 -5.449 -2.887 1.00 . A A . 2 PHE O 1 1 1 43 1 1 3 GLY C C -1.525 -3.956 -3.880 1.00 . A A . 3 GLY C 1 1 1 44 1 1 3 GLY CA C -1.057 -4.787 -2.702 1.00 . A A . 3 GLY CA 1 1 1 45 1 1 3 GLY H H -0.184 -3.419 -1.342 1.00 . A A . 3 GLY H 1 1 1 46 1 1 3 GLY HA2 H -0.711 -5.743 -3.065 1.00 . A A . 3 GLY HA2 1 1 1 47 1 1 3 GLY HA3 H -1.891 -4.946 -2.035 1.00 . A A . 3 GLY HA3 1 1 1 48 1 1 3 GLY N N 0.018 -4.148 -1.965 1.00 . A A . 3 GLY N 1 1 1 49 1 1 3 GLY O O -2.641 -4.132 -4.370 1.00 . A A . 3 GLY O 1 1 1 50 1 1 4 LYS C C -0.897 -2.944 -6.781 1.00 . A A . 4 LYS C 1 1 1 51 1 1 4 LYS CA C -1.004 -2.182 -5.464 1.00 . A A . 4 LYS CA 1 1 1 52 1 1 4 LYS CB C -0.077 -0.965 -5.491 1.00 . A A . 4 LYS CB 1 1 1 53 1 1 4 LYS CD C 1.083 -0.604 -7.690 1.00 . A A . 4 LYS CD 1 1 1 54 1 1 4 LYS CE C 0.653 -0.828 -9.131 1.00 . A A . 4 LYS CE 1 1 1 55 1 1 4 LYS CG C -0.095 -0.215 -6.812 1.00 . A A . 4 LYS CG 1 1 1 56 1 1 4 LYS H H 0.203 -2.952 -3.904 1.00 . A A . 4 LYS H 1 1 1 57 1 1 4 LYS HA H -2.022 -1.847 -5.337 1.00 . A A . 4 LYS HA 1 1 1 58 1 1 4 LYS HB2 H -0.377 -0.282 -4.709 1.00 . A A . 4 LYS HB2 1 1 1 59 1 1 4 LYS HB3 H 0.935 -1.293 -5.301 1.00 . A A . 4 LYS HB3 1 1 1 60 1 1 4 LYS HD2 H 1.817 0.188 -7.663 1.00 . A A . 4 LYS HD2 1 1 1 61 1 1 4 LYS HD3 H 1.520 -1.516 -7.307 1.00 . A A . 4 LYS HD3 1 1 1 62 1 1 4 LYS HE2 H -0.383 -1.127 -9.142 1.00 . A A . 4 LYS HE2 1 1 1 63 1 1 4 LYS HE3 H 0.766 0.099 -9.675 1.00 . A A . 4 LYS HE3 1 1 1 64 1 1 4 LYS HG2 H -1.011 -0.447 -7.334 1.00 . A A . 4 LYS HG2 1 1 1 65 1 1 4 LYS HG3 H -0.050 0.846 -6.614 1.00 . A A . 4 LYS HG3 1 1 1 66 1 1 4 LYS HZ1 H 1.995 -1.475 -10.596 1.00 . A A . 4 LYS HZ1 1 1 1 67 1 1 4 LYS HZ2 H 0.852 -2.641 -10.150 1.00 . A A . 4 LYS HZ2 1 1 1 68 1 1 4 LYS HZ3 H 2.147 -2.288 -9.120 1.00 . A A . 4 LYS HZ3 1 1 1 69 1 1 4 LYS N N -0.672 -3.045 -4.336 1.00 . A A . 4 LYS N 1 1 1 70 1 1 4 LYS NZ N 1.469 -1.882 -9.796 1.00 . A A . 4 LYS NZ 1 1 1 71 1 1 4 LYS O O -1.563 -2.606 -7.759 1.00 . A A . 4 LYS O 1 1 1 72 1 1 5 ASN C C -0.706 -6.056 -7.933 1.00 . A A . 5 ASN C 1 1 1 73 1 1 5 ASN CA C 0.135 -4.784 -7.996 1.00 . A A . 5 ASN CA 1 1 1 74 1 1 5 ASN CB C 1.612 -5.143 -8.162 1.00 . A A . 5 ASN CB 1 1 1 75 1 1 5 ASN CG C 1.920 -5.703 -9.538 1.00 . A A . 5 ASN CG 1 1 1 76 1 1 5 ASN H H 0.446 -4.194 -5.987 1.00 . A A . 5 ASN H 1 1 1 77 1 1 5 ASN HA H -0.182 -4.199 -8.846 1.00 . A A . 5 ASN HA 1 1 1 78 1 1 5 ASN HB2 H 2.211 -4.256 -8.014 1.00 . A A . 5 ASN HB2 1 1 1 79 1 1 5 ASN HB3 H 1.883 -5.883 -7.424 1.00 . A A . 5 ASN HB3 1 1 1 80 1 1 5 ASN HD21 H 2.822 -7.277 -8.722 1.00 . A A . 5 ASN HD21 1 1 1 81 1 1 5 ASN HD22 H 2.788 -7.242 -10.449 1.00 . A A . 5 ASN HD22 1 1 1 82 1 1 5 ASN N N -0.057 -3.974 -6.799 1.00 . A A . 5 ASN N 1 1 1 83 1 1 5 ASN ND2 N 2.576 -6.857 -9.573 1.00 . A A . 5 ASN ND2 1 1 1 84 1 1 5 ASN O O -0.363 -7.070 -8.540 1.00 . A A . 5 ASN O 1 1 1 85 1 1 5 ASN OD1 O 1.571 -5.105 -10.556 1.00 . A A . 5 ASN OD1 1 1 1 86 1 1 6 LYS C C -4.057 -6.853 -7.689 1.00 . A A . 6 LYS C 1 1 1 87 1 1 6 LYS CA C -2.700 -7.138 -7.052 1.00 . A A . 6 LYS CA 1 1 1 88 1 1 6 LYS CB C -2.882 -7.489 -5.574 1.00 . A A . 6 LYS CB 1 1 1 89 1 1 6 LYS CD C -0.857 -8.954 -5.326 1.00 . A A . 6 LYS CD 1 1 1 90 1 1 6 LYS CE C -0.054 -9.610 -4.213 1.00 . A A . 6 LYS CE 1 1 1 91 1 1 6 LYS CG C -1.573 -7.707 -4.835 1.00 . A A . 6 LYS CG 1 1 1 92 1 1 6 LYS H H -2.029 -5.156 -6.734 1.00 . A A . 6 LYS H 1 1 1 93 1 1 6 LYS HA H -2.247 -7.976 -7.559 1.00 . A A . 6 LYS HA 1 1 1 94 1 1 6 LYS HB2 H -3.416 -6.685 -5.088 1.00 . A A . 6 LYS HB2 1 1 1 95 1 1 6 LYS HB3 H -3.468 -8.394 -5.500 1.00 . A A . 6 LYS HB3 1 1 1 96 1 1 6 LYS HD2 H -1.589 -9.660 -5.690 1.00 . A A . 6 LYS HD2 1 1 1 97 1 1 6 LYS HD3 H -0.187 -8.682 -6.129 1.00 . A A . 6 LYS HD3 1 1 1 98 1 1 6 LYS HE2 H 0.651 -10.298 -4.653 1.00 . A A . 6 LYS HE2 1 1 1 99 1 1 6 LYS HE3 H 0.480 -8.843 -3.673 1.00 . A A . 6 LYS HE3 1 1 1 100 1 1 6 LYS HG2 H -0.933 -6.852 -4.994 1.00 . A A . 6 LYS HG2 1 1 1 101 1 1 6 LYS HG3 H -1.780 -7.813 -3.779 1.00 . A A . 6 LYS HG3 1 1 1 102 1 1 6 LYS HZ1 H -0.399 -11.137 -2.829 1.00 . A A . 6 LYS HZ1 1 1 1 103 1 1 6 LYS HZ2 H -1.752 -10.741 -3.765 1.00 . A A . 6 LYS HZ2 1 1 1 104 1 1 6 LYS HZ3 H -1.261 -9.717 -2.512 1.00 . A A . 6 LYS HZ3 1 1 1 105 1 1 6 LYS N N -1.809 -5.993 -7.194 1.00 . A A . 6 LYS N 1 1 1 106 1 1 6 LYS NZ N -0.927 -10.353 -3.263 1.00 . A A . 6 LYS NZ 1 1 1 107 1 1 6 LYS O O -5.079 -7.391 -7.262 1.00 . A A . 6 LYS O 1 1 1 108 1 1 7 SER C C -5.494 -6.522 -10.638 1.00 . A A . 7 SER C 1 1 1 109 1 1 7 SER CA C -5.291 -5.647 -9.405 1.00 . A A . 7 SER CA 1 1 1 110 1 1 7 SER CB C -5.263 -4.172 -9.812 1.00 . A A . 7 SER CB 1 1 1 111 1 1 7 SER H H -3.212 -5.608 -9.005 1.00 . A A . 7 SER H 1 1 1 112 1 1 7 SER HA H -6.114 -5.808 -8.725 1.00 . A A . 7 SER HA 1 1 1 113 1 1 7 SER HB2 H -4.315 -3.741 -9.528 1.00 . A A . 7 SER HB2 1 1 1 114 1 1 7 SER HB3 H -5.387 -4.094 -10.882 1.00 . A A . 7 SER HB3 1 1 1 115 1 1 7 SER HG H -7.033 -3.333 -9.789 1.00 . A A . 7 SER HG 1 1 1 116 1 1 7 SER N N -4.059 -6.005 -8.712 1.00 . A A . 7 SER N 1 1 1 117 1 1 7 SER O O -6.420 -7.331 -10.693 1.00 . A A . 7 SER O 1 1 1 118 1 1 7 SER OG O -6.302 -3.448 -9.177 1.00 . A A . 7 SER OG 1 1 1 119 1 1 8 ARG C C -4.637 -8.622 -12.569 1.00 . A A . 8 ARG C 1 1 1 120 1 1 8 ARG CA C -4.705 -7.126 -12.860 1.00 . A A . 8 ARG CA 1 1 1 121 1 1 8 ARG CB C -3.576 -6.729 -13.813 1.00 . A A . 8 ARG CB 1 1 1 122 1 1 8 ARG CD C -4.709 -5.179 -15.435 1.00 . A A . 8 ARG CD 1 1 1 123 1 1 8 ARG CG C -3.682 -5.300 -14.320 1.00 . A A . 8 ARG CG 1 1 1 124 1 1 8 ARG CZ C -4.778 -2.764 -15.890 1.00 . A A . 8 ARG CZ 1 1 1 125 1 1 8 ARG H H -3.905 -5.693 -11.524 1.00 . A A . 8 ARG H 1 1 1 126 1 1 8 ARG HA H -5.653 -6.905 -13.327 1.00 . A A . 8 ARG HA 1 1 1 127 1 1 8 ARG HB2 H -2.632 -6.836 -13.299 1.00 . A A . 8 ARG HB2 1 1 1 128 1 1 8 ARG HB3 H -3.591 -7.392 -14.665 1.00 . A A . 8 ARG HB3 1 1 1 129 1 1 8 ARG HD2 H -4.211 -5.327 -16.382 1.00 . A A . 8 ARG HD2 1 1 1 130 1 1 8 ARG HD3 H -5.459 -5.943 -15.299 1.00 . A A . 8 ARG HD3 1 1 1 131 1 1 8 ARG HE H -6.273 -3.817 -15.093 1.00 . A A . 8 ARG HE 1 1 1 132 1 1 8 ARG HG2 H -3.977 -4.658 -13.502 1.00 . A A . 8 ARG HG2 1 1 1 133 1 1 8 ARG HG3 H -2.718 -4.988 -14.694 1.00 . A A . 8 ARG HG3 1 1 1 134 1 1 8 ARG HH11 H -3.045 -3.673 -16.389 1.00 . A A . 8 ARG HH11 1 1 1 135 1 1 8 ARG HH12 H -3.107 -1.971 -16.705 1.00 . A A . 8 ARG HH12 1 1 1 136 1 1 8 ARG HH21 H -6.367 -1.575 -15.504 1.00 . A A . 8 ARG HH21 1 1 1 137 1 1 8 ARG HH22 H -4.997 -0.778 -16.200 1.00 . A A . 8 ARG HH22 1 1 1 138 1 1 8 ARG N N -4.622 -6.353 -11.626 1.00 . A A . 8 ARG N 1 1 1 139 1 1 8 ARG NE N -5.359 -3.871 -15.441 1.00 . A A . 8 ARG NE 1 1 1 140 1 1 8 ARG NH1 N -3.542 -2.806 -16.367 1.00 . A A . 8 ARG NH1 1 1 1 141 1 1 8 ARG NH2 N -5.435 -1.611 -15.862 1.00 . A A . 8 ARG NH2 1 1 1 142 1 1 8 ARG O O -3.575 -9.153 -12.241 1.00 . A A . 8 ARG O 1 1 2 143 1 1 1 LYS C C 2.294 -1.547 -2.880 1.00 . A A . 1 LYS C 1 1 2 144 1 1 1 LYS CA C 2.484 -0.283 -2.048 1.00 . A A . 1 LYS CA 1 1 2 145 1 1 1 LYS CB C 3.227 0.774 -2.869 1.00 . A A . 1 LYS CB 1 1 2 146 1 1 1 LYS CD C 4.228 2.495 -1.337 1.00 . A A . 1 LYS CD 1 1 2 147 1 1 1 LYS CE C 3.693 2.864 0.038 1.00 . A A . 1 LYS CE 1 1 2 148 1 1 1 LYS CG C 3.101 2.180 -2.307 1.00 . A A . 1 LYS CG 1 1 2 149 1 1 1 LYS H1 H 2.849 -0.269 0.037 1.00 . A A . 1 LYS H1 1 1 2 150 1 1 1 LYS HA H 1.514 0.103 -1.774 1.00 . A A . 1 LYS HA 1 1 2 151 1 1 1 LYS HB2 H 4.275 0.515 -2.904 1.00 . A A . 1 LYS HB2 1 1 2 152 1 1 1 LYS HB3 H 2.831 0.775 -3.875 1.00 . A A . 1 LYS HB3 1 1 2 153 1 1 1 LYS HD2 H 4.863 1.627 -1.242 1.00 . A A . 1 LYS HD2 1 1 2 154 1 1 1 LYS HD3 H 4.804 3.324 -1.725 1.00 . A A . 1 LYS HD3 1 1 2 155 1 1 1 LYS HE2 H 3.214 3.829 -0.024 1.00 . A A . 1 LYS HE2 1 1 2 156 1 1 1 LYS HE3 H 2.968 2.122 0.339 1.00 . A A . 1 LYS HE3 1 1 2 157 1 1 1 LYS HG2 H 3.134 2.888 -3.122 1.00 . A A . 1 LYS HG2 1 1 2 158 1 1 1 LYS HG3 H 2.157 2.267 -1.789 1.00 . A A . 1 LYS HG3 1 1 2 159 1 1 1 LYS HZ1 H 4.471 2.456 1.933 1.00 . A A . 1 LYS HZ1 1 1 2 160 1 1 1 LYS HZ2 H 5.011 3.916 1.270 1.00 . A A . 1 LYS HZ2 1 1 2 161 1 1 1 LYS HZ3 H 5.630 2.449 0.700 1.00 . A A . 1 LYS HZ3 1 1 2 162 1 1 1 LYS N N 3.215 -0.574 -0.820 1.00 . A A . 1 LYS N 1 1 2 163 1 1 1 LYS NZ N 4.777 2.925 1.057 1.00 . A A . 1 LYS NZ 1 1 2 164 1 1 1 LYS O O 2.285 -1.497 -4.110 1.00 . A A . 1 LYS O 1 1 2 165 1 1 2 PHE C C 0.495 -4.410 -2.784 1.00 . A A . 2 PHE C 1 1 2 166 1 1 2 PHE CA C 1.949 -3.956 -2.879 1.00 . A A . 2 PHE CA 1 1 2 167 1 1 2 PHE CB C 2.868 -5.020 -2.274 1.00 . A A . 2 PHE CB 1 1 2 168 1 1 2 PHE CD1 C 5.169 -4.485 -3.119 1.00 . A A . 2 PHE CD1 1 1 2 169 1 1 2 PHE CD2 C 4.097 -6.457 -3.924 1.00 . A A . 2 PHE CD2 1 1 2 170 1 1 2 PHE CE1 C 6.276 -4.764 -3.898 1.00 . A A . 2 PHE CE1 1 1 2 171 1 1 2 PHE CE2 C 5.201 -6.741 -4.705 1.00 . A A . 2 PHE CE2 1 1 2 172 1 1 2 PHE CG C 4.069 -5.327 -3.123 1.00 . A A . 2 PHE CG 1 1 2 173 1 1 2 PHE CZ C 6.292 -5.894 -4.693 1.00 . A A . 2 PHE CZ 1 1 2 174 1 1 2 PHE H H 2.156 -2.655 -1.222 1.00 . A A . 2 PHE H 1 1 2 175 1 1 2 PHE HA H 2.204 -3.821 -3.918 1.00 . A A . 2 PHE HA 1 1 2 176 1 1 2 PHE HB2 H 3.220 -4.678 -1.313 1.00 . A A . 2 PHE HB2 1 1 2 177 1 1 2 PHE HB3 H 2.309 -5.935 -2.144 1.00 . A A . 2 PHE HB3 1 1 2 178 1 1 2 PHE HD1 H 5.158 -3.601 -2.497 1.00 . A A . 2 PHE HD1 1 1 2 179 1 1 2 PHE HD2 H 3.245 -7.120 -3.936 1.00 . A A . 2 PHE HD2 1 1 2 180 1 1 2 PHE HE1 H 7.127 -4.099 -3.886 1.00 . A A . 2 PHE HE1 1 1 2 181 1 1 2 PHE HE2 H 5.211 -7.625 -5.326 1.00 . A A . 2 PHE HE2 1 1 2 182 1 1 2 PHE HZ H 7.156 -6.114 -5.301 1.00 . A A . 2 PHE HZ 1 1 2 183 1 1 2 PHE N N 2.140 -2.679 -2.202 1.00 . A A . 2 PHE N 1 1 2 184 1 1 2 PHE O O 0.007 -5.148 -3.638 1.00 . A A . 2 PHE O 1 1 2 185 1 1 3 GLY C C -2.477 -3.804 -2.651 1.00 . A A . 3 GLY C 1 1 2 186 1 1 3 GLY CA C -1.582 -4.332 -1.548 1.00 . A A . 3 GLY CA 1 1 2 187 1 1 3 GLY H H 0.250 -3.375 -1.087 1.00 . A A . 3 GLY H 1 1 2 188 1 1 3 GLY HA2 H -1.656 -5.409 -1.522 1.00 . A A . 3 GLY HA2 1 1 2 189 1 1 3 GLY HA3 H -1.923 -3.935 -0.603 1.00 . A A . 3 GLY HA3 1 1 2 190 1 1 3 GLY N N -0.191 -3.962 -1.737 1.00 . A A . 3 GLY N 1 1 2 191 1 1 3 GLY O O -3.378 -4.502 -3.118 1.00 . A A . 3 GLY O 1 1 2 192 1 1 4 LYS C C -2.626 -2.487 -5.493 1.00 . A A . 4 LYS C 1 1 2 193 1 1 4 LYS CA C -3.022 -1.944 -4.124 1.00 . A A . 4 LYS CA 1 1 2 194 1 1 4 LYS CB C -2.844 -0.425 -4.094 1.00 . A A . 4 LYS CB 1 1 2 195 1 1 4 LYS CD C -2.163 0.574 -6.296 1.00 . A A . 4 LYS CD 1 1 2 196 1 1 4 LYS CE C -2.505 0.226 -7.737 1.00 . A A . 4 LYS CE 1 1 2 197 1 1 4 LYS CG C -3.319 0.268 -5.360 1.00 . A A . 4 LYS CG 1 1 2 198 1 1 4 LYS H H -1.500 -2.060 -2.658 1.00 . A A . 4 LYS H 1 1 2 199 1 1 4 LYS HA H -4.060 -2.180 -3.944 1.00 . A A . 4 LYS HA 1 1 2 200 1 1 4 LYS HB2 H -3.399 -0.025 -3.259 1.00 . A A . 4 LYS HB2 1 1 2 201 1 1 4 LYS HB3 H -1.795 -0.200 -3.959 1.00 . A A . 4 LYS HB3 1 1 2 202 1 1 4 LYS HD2 H -1.932 1.627 -6.238 1.00 . A A . 4 LYS HD2 1 1 2 203 1 1 4 LYS HD3 H -1.301 -0.003 -5.991 1.00 . A A . 4 LYS HD3 1 1 2 204 1 1 4 LYS HE2 H -2.059 -0.727 -7.979 1.00 . A A . 4 LYS HE2 1 1 2 205 1 1 4 LYS HE3 H -3.579 0.155 -7.830 1.00 . A A . 4 LYS HE3 1 1 2 206 1 1 4 LYS HG2 H -4.021 -0.375 -5.869 1.00 . A A . 4 LYS HG2 1 1 2 207 1 1 4 LYS HG3 H -3.807 1.195 -5.090 1.00 . A A . 4 LYS HG3 1 1 2 208 1 1 4 LYS HZ1 H -1.611 2.064 -8.169 1.00 . A A . 4 LYS HZ1 1 1 2 209 1 1 4 LYS HZ2 H -2.779 1.587 -9.298 1.00 . A A . 4 LYS HZ2 1 1 2 210 1 1 4 LYS HZ3 H -1.257 0.848 -9.292 1.00 . A A . 4 LYS HZ3 1 1 2 211 1 1 4 LYS N N -2.232 -2.567 -3.069 1.00 . A A . 4 LYS N 1 1 2 212 1 1 4 LYS NZ N -2.003 1.253 -8.690 1.00 . A A . 4 LYS NZ 1 1 2 213 1 1 4 LYS O O -3.429 -2.493 -6.425 1.00 . A A . 4 LYS O 1 1 2 214 1 1 5 ASN C C -0.683 -4.998 -6.760 1.00 . A A . 5 ASN C 1 1 2 215 1 1 5 ASN CA C -0.880 -3.489 -6.862 1.00 . A A . 5 ASN CA 1 1 2 216 1 1 5 ASN CB C 0.440 -2.816 -7.243 1.00 . A A . 5 ASN CB 1 1 2 217 1 1 5 ASN CG C 0.854 -3.120 -8.670 1.00 . A A . 5 ASN CG 1 1 2 218 1 1 5 ASN H H -0.788 -2.911 -4.828 1.00 . A A . 5 ASN H 1 1 2 219 1 1 5 ASN HA H -1.612 -3.284 -7.629 1.00 . A A . 5 ASN HA 1 1 2 220 1 1 5 ASN HB2 H 0.335 -1.745 -7.140 1.00 . A A . 5 ASN HB2 1 1 2 221 1 1 5 ASN HB3 H 1.219 -3.162 -6.580 1.00 . A A . 5 ASN HB3 1 1 2 222 1 1 5 ASN HD21 H 2.770 -3.142 -8.136 1.00 . A A . 5 ASN HD21 1 1 2 223 1 1 5 ASN HD22 H 2.452 -3.445 -9.807 1.00 . A A . 5 ASN HD22 1 1 2 224 1 1 5 ASN N N -1.382 -2.943 -5.607 1.00 . A A . 5 ASN N 1 1 2 225 1 1 5 ASN ND2 N 2.157 -3.249 -8.893 1.00 . A A . 5 ASN ND2 1 1 2 226 1 1 5 ASN O O 0.189 -5.568 -7.416 1.00 . A A . 5 ASN O 1 1 2 227 1 1 5 ASN OD1 O 0.012 -3.237 -9.560 1.00 . A A . 5 ASN OD1 1 1 2 228 1 1 6 LYS C C -1.824 -7.823 -7.014 1.00 . A A . 6 LYS C 1 1 2 229 1 1 6 LYS CA C -1.418 -7.084 -5.743 1.00 . A A . 6 LYS CA 1 1 2 230 1 1 6 LYS CB C -2.314 -7.518 -4.580 1.00 . A A . 6 LYS CB 1 1 2 231 1 1 6 LYS CD C -4.499 -8.361 -5.488 1.00 . A A . 6 LYS CD 1 1 2 232 1 1 6 LYS CE C -5.893 -8.575 -4.917 1.00 . A A . 6 LYS CE 1 1 2 233 1 1 6 LYS CG C -3.785 -7.211 -4.798 1.00 . A A . 6 LYS CG 1 1 2 234 1 1 6 LYS H H -2.175 -5.131 -5.435 1.00 . A A . 6 LYS H 1 1 2 235 1 1 6 LYS HA H -0.394 -7.331 -5.508 1.00 . A A . 6 LYS HA 1 1 2 236 1 1 6 LYS HB2 H -2.208 -8.584 -4.438 1.00 . A A . 6 LYS HB2 1 1 2 237 1 1 6 LYS HB3 H -1.991 -7.010 -3.683 1.00 . A A . 6 LYS HB3 1 1 2 238 1 1 6 LYS HD2 H -4.585 -8.141 -6.542 1.00 . A A . 6 LYS HD2 1 1 2 239 1 1 6 LYS HD3 H -3.922 -9.265 -5.353 1.00 . A A . 6 LYS HD3 1 1 2 240 1 1 6 LYS HE2 H -5.803 -8.848 -3.876 1.00 . A A . 6 LYS HE2 1 1 2 241 1 1 6 LYS HE3 H -6.447 -7.652 -5.000 1.00 . A A . 6 LYS HE3 1 1 2 242 1 1 6 LYS HG2 H -4.253 -7.033 -3.841 1.00 . A A . 6 LYS HG2 1 1 2 243 1 1 6 LYS HG3 H -3.871 -6.325 -5.413 1.00 . A A . 6 LYS HG3 1 1 2 244 1 1 6 LYS HZ1 H -5.992 -10.447 -5.838 1.00 . A A . 6 LYS HZ1 1 1 2 245 1 1 6 LYS HZ2 H -7.004 -9.285 -6.537 1.00 . A A . 6 LYS HZ2 1 1 2 246 1 1 6 LYS HZ3 H -7.422 -9.991 -5.058 1.00 . A A . 6 LYS HZ3 1 1 2 247 1 1 6 LYS N N -1.500 -5.640 -5.932 1.00 . A A . 6 LYS N 1 1 2 248 1 1 6 LYS NZ N -6.629 -9.650 -5.638 1.00 . A A . 6 LYS NZ 1 1 2 249 1 1 6 LYS O O -1.377 -8.943 -7.262 1.00 . A A . 6 LYS O 1 1 2 250 1 1 7 SER C C -1.963 -8.154 -9.963 1.00 . A A . 7 SER C 1 1 2 251 1 1 7 SER CA C -3.138 -7.786 -9.063 1.00 . A A . 7 SER CA 1 1 2 252 1 1 7 SER CB C -4.075 -6.824 -9.796 1.00 . A A . 7 SER CB 1 1 2 253 1 1 7 SER H H -2.992 -6.296 -7.565 1.00 . A A . 7 SER H 1 1 2 254 1 1 7 SER HA H -3.682 -8.685 -8.815 1.00 . A A . 7 SER HA 1 1 2 255 1 1 7 SER HB2 H -3.866 -5.813 -9.481 1.00 . A A . 7 SER HB2 1 1 2 256 1 1 7 SER HB3 H -3.913 -6.910 -10.861 1.00 . A A . 7 SER HB3 1 1 2 257 1 1 7 SER HG H -5.791 -7.672 -10.212 1.00 . A A . 7 SER HG 1 1 2 258 1 1 7 SER N N -2.671 -7.188 -7.818 1.00 . A A . 7 SER N 1 1 2 259 1 1 7 SER O O -1.988 -9.176 -10.649 1.00 . A A . 7 SER O 1 1 2 260 1 1 7 SER OG O -5.432 -7.119 -9.514 1.00 . A A . 7 SER OG 1 1 2 261 1 1 8 ARG C C 1.251 -8.438 -10.035 1.00 . A A . 8 ARG C 1 1 2 262 1 1 8 ARG CA C 0.252 -7.550 -10.770 1.00 . A A . 8 ARG CA 1 1 2 263 1 1 8 ARG CB C 0.913 -6.221 -11.143 1.00 . A A . 8 ARG CB 1 1 2 264 1 1 8 ARG CD C -0.666 -5.537 -12.974 1.00 . A A . 8 ARG CD 1 1 2 265 1 1 8 ARG CG C 0.774 -5.863 -12.613 1.00 . A A . 8 ARG CG 1 1 2 266 1 1 8 ARG CZ C -1.867 -4.086 -14.554 1.00 . A A . 8 ARG CZ 1 1 2 267 1 1 8 ARG H H -0.971 -6.516 -9.386 1.00 . A A . 8 ARG H 1 1 2 268 1 1 8 ARG HA H -0.061 -8.051 -11.673 1.00 . A A . 8 ARG HA 1 1 2 269 1 1 8 ARG HB2 H 0.462 -5.432 -10.559 1.00 . A A . 8 ARG HB2 1 1 2 270 1 1 8 ARG HB3 H 1.965 -6.278 -10.906 1.00 . A A . 8 ARG HB3 1 1 2 271 1 1 8 ARG HD2 H -1.115 -6.405 -13.432 1.00 . A A . 8 ARG HD2 1 1 2 272 1 1 8 ARG HD3 H -1.202 -5.290 -12.069 1.00 . A A . 8 ARG HD3 1 1 2 273 1 1 8 ARG HE H 0.049 -3.874 -14.043 1.00 . A A . 8 ARG HE 1 1 2 274 1 1 8 ARG HG2 H 1.391 -5.002 -12.824 1.00 . A A . 8 ARG HG2 1 1 2 275 1 1 8 ARG HG3 H 1.105 -6.700 -13.210 1.00 . A A . 8 ARG HG3 1 1 2 276 1 1 8 ARG HH11 H -2.974 -5.577 -13.759 1.00 . A A . 8 ARG HH11 1 1 2 277 1 1 8 ARG HH12 H -3.808 -4.546 -14.875 1.00 . A A . 8 ARG HH12 1 1 2 278 1 1 8 ARG HH21 H -1.038 -2.511 -15.513 1.00 . A A . 8 ARG HH21 1 1 2 279 1 1 8 ARG HH22 H -2.706 -2.804 -15.873 1.00 . A A . 8 ARG HH22 1 1 2 280 1 1 8 ARG N N -0.933 -7.314 -9.954 1.00 . A A . 8 ARG N 1 1 2 281 1 1 8 ARG NE N -0.757 -4.412 -13.901 1.00 . A A . 8 ARG NE 1 1 2 282 1 1 8 ARG NH1 N -2.974 -4.795 -14.383 1.00 . A A . 8 ARG NH1 1 1 2 283 1 1 8 ARG NH2 N -1.870 -3.048 -15.381 1.00 . A A . 8 ARG NH2 1 1 2 284 1 1 8 ARG O O 2.092 -9.089 -10.655 1.00 . A A . 8 ARG O 1 1 3 285 1 1 1 LYS C C 1.105 -1.030 -1.787 1.00 . A A . 1 LYS C 1 1 3 286 1 1 1 LYS CA C 0.334 -0.130 -0.827 1.00 . A A . 1 LYS CA 1 1 3 287 1 1 1 LYS CB C 1.079 1.195 -0.644 1.00 . A A . 1 LYS CB 1 1 3 288 1 1 1 LYS CD C 0.759 3.080 0.985 1.00 . A A . 1 LYS CD 1 1 3 289 1 1 1 LYS CE C 1.892 4.008 0.574 1.00 . A A . 1 LYS CE 1 1 3 290 1 1 1 LYS CG C 0.182 2.342 -0.211 1.00 . A A . 1 LYS CG 1 1 3 291 1 1 1 LYS H1 H 0.923 -0.939 1.039 1.00 . A A . 1 LYS H1 1 1 3 292 1 1 1 LYS HA H -0.641 0.070 -1.244 1.00 . A A . 1 LYS HA 1 1 3 293 1 1 1 LYS HB2 H 1.846 1.063 0.105 1.00 . A A . 1 LYS HB2 1 1 3 294 1 1 1 LYS HB3 H 1.545 1.464 -1.580 1.00 . A A . 1 LYS HB3 1 1 3 295 1 1 1 LYS HD2 H -0.022 3.666 1.447 1.00 . A A . 1 LYS HD2 1 1 3 296 1 1 1 LYS HD3 H 1.137 2.358 1.695 1.00 . A A . 1 LYS HD3 1 1 3 297 1 1 1 LYS HE2 H 2.125 3.832 -0.464 1.00 . A A . 1 LYS HE2 1 1 3 298 1 1 1 LYS HE3 H 1.566 5.030 0.701 1.00 . A A . 1 LYS HE3 1 1 3 299 1 1 1 LYS HG2 H 0.078 3.035 -1.032 1.00 . A A . 1 LYS HG2 1 1 3 300 1 1 1 LYS HG3 H -0.788 1.947 0.055 1.00 . A A . 1 LYS HG3 1 1 3 301 1 1 1 LYS HZ1 H 3.567 4.694 1.617 1.00 . A A . 1 LYS HZ1 1 1 3 302 1 1 1 LYS HZ2 H 3.793 3.195 0.866 1.00 . A A . 1 LYS HZ2 1 1 3 303 1 1 1 LYS HZ3 H 2.870 3.302 2.279 1.00 . A A . 1 LYS HZ3 1 1 3 304 1 1 1 LYS N N 0.145 -0.785 0.462 1.00 . A A . 1 LYS N 1 1 3 305 1 1 1 LYS NZ N 3.116 3.785 1.392 1.00 . A A . 1 LYS NZ 1 1 3 306 1 1 1 LYS O O 1.784 -0.549 -2.695 1.00 . A A . 1 LYS O 1 1 3 307 1 1 2 PHE C C 0.680 -4.161 -3.201 1.00 . A A . 2 PHE C 1 1 3 308 1 1 2 PHE CA C 1.682 -3.305 -2.430 1.00 . A A . 2 PHE CA 1 1 3 309 1 1 2 PHE CB C 2.591 -4.200 -1.587 1.00 . A A . 2 PHE CB 1 1 3 310 1 1 2 PHE CD1 C 4.772 -2.980 -1.361 1.00 . A A . 2 PHE CD1 1 1 3 311 1 1 2 PHE CD2 C 3.379 -3.176 0.564 1.00 . A A . 2 PHE CD2 1 1 3 312 1 1 2 PHE CE1 C 5.703 -2.278 -0.619 1.00 . A A . 2 PHE CE1 1 1 3 313 1 1 2 PHE CE2 C 4.307 -2.474 1.311 1.00 . A A . 2 PHE CE2 1 1 3 314 1 1 2 PHE CG C 3.601 -3.437 -0.778 1.00 . A A . 2 PHE CG 1 1 3 315 1 1 2 PHE CZ C 5.470 -2.023 0.718 1.00 . A A . 2 PHE CZ 1 1 3 316 1 1 2 PHE H H 0.439 -2.661 -0.842 1.00 . A A . 2 PHE H 1 1 3 317 1 1 2 PHE HA H 2.286 -2.756 -3.136 1.00 . A A . 2 PHE HA 1 1 3 318 1 1 2 PHE HB2 H 1.985 -4.775 -0.902 1.00 . A A . 2 PHE HB2 1 1 3 319 1 1 2 PHE HB3 H 3.127 -4.874 -2.239 1.00 . A A . 2 PHE HB3 1 1 3 320 1 1 2 PHE HD1 H 4.956 -3.177 -2.407 1.00 . A A . 2 PHE HD1 1 1 3 321 1 1 2 PHE HD2 H 2.469 -3.528 1.029 1.00 . A A . 2 PHE HD2 1 1 3 322 1 1 2 PHE HE1 H 6.612 -1.927 -1.086 1.00 . A A . 2 PHE HE1 1 1 3 323 1 1 2 PHE HE2 H 4.121 -2.277 2.356 1.00 . A A . 2 PHE HE2 1 1 3 324 1 1 2 PHE HZ H 6.196 -1.475 1.300 1.00 . A A . 2 PHE HZ 1 1 3 325 1 1 2 PHE N N 0.995 -2.338 -1.582 1.00 . A A . 2 PHE N 1 1 3 326 1 1 2 PHE O O 0.898 -5.353 -3.412 1.00 . A A . 2 PHE O 1 1 3 327 1 1 3 GLY C C -1.473 -3.873 -5.824 1.00 . A A . 3 GLY C 1 1 3 328 1 1 3 GLY CA C -1.440 -4.261 -4.359 1.00 . A A . 3 GLY CA 1 1 3 329 1 1 3 GLY H H -0.541 -2.589 -3.421 1.00 . A A . 3 GLY H 1 1 3 330 1 1 3 GLY HA2 H -1.246 -5.320 -4.282 1.00 . A A . 3 GLY HA2 1 1 3 331 1 1 3 GLY HA3 H -2.404 -4.048 -3.921 1.00 . A A . 3 GLY HA3 1 1 3 332 1 1 3 GLY N N -0.420 -3.542 -3.618 1.00 . A A . 3 GLY N 1 1 3 333 1 1 3 GLY O O -2.507 -3.990 -6.482 1.00 . A A . 3 GLY O 1 1 3 334 1 1 4 LYS C C -0.157 -4.219 -8.651 1.00 . A A . 4 LYS C 1 1 3 335 1 1 4 LYS CA C -0.240 -3.003 -7.734 1.00 . A A . 4 LYS CA 1 1 3 336 1 1 4 LYS CB C 0.985 -2.110 -7.942 1.00 . A A . 4 LYS CB 1 1 3 337 1 1 4 LYS CD C 2.515 -2.877 -9.780 1.00 . A A . 4 LYS CD 1 1 3 338 1 1 4 LYS CE C 2.290 -3.501 -11.149 1.00 . A A . 4 LYS CE 1 1 3 339 1 1 4 LYS CG C 1.377 -1.944 -9.400 1.00 . A A . 4 LYS CG 1 1 3 340 1 1 4 LYS H H 0.453 -3.339 -5.763 1.00 . A A . 4 LYS H 1 1 3 341 1 1 4 LYS HA H -1.130 -2.442 -7.980 1.00 . A A . 4 LYS HA 1 1 3 342 1 1 4 LYS HB2 H 0.776 -1.132 -7.534 1.00 . A A . 4 LYS HB2 1 1 3 343 1 1 4 LYS HB3 H 1.823 -2.540 -7.412 1.00 . A A . 4 LYS HB3 1 1 3 344 1 1 4 LYS HD2 H 3.438 -2.316 -9.800 1.00 . A A . 4 LYS HD2 1 1 3 345 1 1 4 LYS HD3 H 2.586 -3.664 -9.043 1.00 . A A . 4 LYS HD3 1 1 3 346 1 1 4 LYS HE2 H 3.022 -4.280 -11.300 1.00 . A A . 4 LYS HE2 1 1 3 347 1 1 4 LYS HE3 H 1.299 -3.928 -11.177 1.00 . A A . 4 LYS HE3 1 1 3 348 1 1 4 LYS HG2 H 0.522 -2.166 -10.021 1.00 . A A . 4 LYS HG2 1 1 3 349 1 1 4 LYS HG3 H 1.690 -0.923 -9.566 1.00 . A A . 4 LYS HG3 1 1 3 350 1 1 4 LYS HZ1 H 2.553 -2.980 -13.155 1.00 . A A . 4 LYS HZ1 1 1 3 351 1 1 4 LYS HZ2 H 3.233 -1.879 -12.066 1.00 . A A . 4 LYS HZ2 1 1 3 352 1 1 4 LYS HZ3 H 1.558 -1.916 -12.295 1.00 . A A . 4 LYS HZ3 1 1 3 353 1 1 4 LYS N N -0.339 -3.409 -6.338 1.00 . A A . 4 LYS N 1 1 3 354 1 1 4 LYS NZ N 2.417 -2.499 -12.243 1.00 . A A . 4 LYS NZ 1 1 3 355 1 1 4 LYS O O -0.546 -4.157 -9.816 1.00 . A A . 4 LYS O 1 1 3 356 1 1 5 ASN C C -0.554 -7.585 -8.448 1.00 . A A . 5 ASN C 1 1 3 357 1 1 5 ASN CA C 0.484 -6.556 -8.885 1.00 . A A . 5 ASN CA 1 1 3 358 1 1 5 ASN CB C 1.892 -7.133 -8.723 1.00 . A A . 5 ASN CB 1 1 3 359 1 1 5 ASN CG C 2.162 -7.609 -7.309 1.00 . A A . 5 ASN CG 1 1 3 360 1 1 5 ASN H H 0.644 -5.311 -7.180 1.00 . A A . 5 ASN H 1 1 3 361 1 1 5 ASN HA H 0.321 -6.315 -9.925 1.00 . A A . 5 ASN HA 1 1 3 362 1 1 5 ASN HB2 H 2.009 -7.973 -9.393 1.00 . A A . 5 ASN HB2 1 1 3 363 1 1 5 ASN HB3 H 2.617 -6.374 -8.973 1.00 . A A . 5 ASN HB3 1 1 3 364 1 1 5 ASN HD21 H 2.466 -9.462 -7.964 1.00 . A A . 5 ASN HD21 1 1 3 365 1 1 5 ASN HD22 H 2.625 -9.233 -6.259 1.00 . A A . 5 ASN HD22 1 1 3 366 1 1 5 ASN N N 0.351 -5.324 -8.115 1.00 . A A . 5 ASN N 1 1 3 367 1 1 5 ASN ND2 N 2.447 -8.898 -7.163 1.00 . A A . 5 ASN ND2 1 1 3 368 1 1 5 ASN O O -0.324 -8.791 -8.538 1.00 . A A . 5 ASN O 1 1 3 369 1 1 5 ASN OD1 O 2.116 -6.827 -6.359 1.00 . A A . 5 ASN OD1 1 1 3 370 1 1 6 LYS C C -3.986 -7.864 -8.444 1.00 . A A . 6 LYS C 1 1 3 371 1 1 6 LYS CA C -2.772 -7.977 -7.527 1.00 . A A . 6 LYS CA 1 1 3 372 1 1 6 LYS CB C -3.172 -7.633 -6.090 1.00 . A A . 6 LYS CB 1 1 3 373 1 1 6 LYS CD C -1.486 -9.096 -4.937 1.00 . A A . 6 LYS CD 1 1 3 374 1 1 6 LYS CE C -0.729 -9.253 -3.627 1.00 . A A . 6 LYS CE 1 1 3 375 1 1 6 LYS CG C -2.013 -7.681 -5.109 1.00 . A A . 6 LYS CG 1 1 3 376 1 1 6 LYS H H -1.821 -6.129 -7.929 1.00 . A A . 6 LYS H 1 1 3 377 1 1 6 LYS HA H -2.407 -8.992 -7.557 1.00 . A A . 6 LYS HA 1 1 3 378 1 1 6 LYS HB2 H -3.589 -6.637 -6.074 1.00 . A A . 6 LYS HB2 1 1 3 379 1 1 6 LYS HB3 H -3.924 -8.335 -5.760 1.00 . A A . 6 LYS HB3 1 1 3 380 1 1 6 LYS HD2 H -2.318 -9.784 -4.944 1.00 . A A . 6 LYS HD2 1 1 3 381 1 1 6 LYS HD3 H -0.820 -9.324 -5.758 1.00 . A A . 6 LYS HD3 1 1 3 382 1 1 6 LYS HE2 H -0.162 -8.353 -3.444 1.00 . A A . 6 LYS HE2 1 1 3 383 1 1 6 LYS HE3 H -1.442 -9.398 -2.830 1.00 . A A . 6 LYS HE3 1 1 3 384 1 1 6 LYS HG2 H -1.215 -7.053 -5.476 1.00 . A A . 6 LYS HG2 1 1 3 385 1 1 6 LYS HG3 H -2.350 -7.313 -4.150 1.00 . A A . 6 LYS HG3 1 1 3 386 1 1 6 LYS HZ1 H -0.260 -11.256 -3.262 1.00 . A A . 6 LYS HZ1 1 1 3 387 1 1 6 LYS HZ2 H 1.056 -10.204 -3.105 1.00 . A A . 6 LYS HZ2 1 1 3 388 1 1 6 LYS HZ3 H 0.484 -10.619 -4.642 1.00 . A A . 6 LYS HZ3 1 1 3 389 1 1 6 LYS N N -1.697 -7.101 -7.976 1.00 . A A . 6 LYS N 1 1 3 390 1 1 6 LYS NZ N 0.203 -10.415 -3.661 1.00 . A A . 6 LYS NZ 1 1 3 391 1 1 6 LYS O O -4.402 -8.843 -9.062 1.00 . A A . 6 LYS O 1 1 3 392 1 1 7 SER C C -5.354 -6.539 -10.846 1.00 . A A . 7 SER C 1 1 3 393 1 1 7 SER CA C -5.715 -6.421 -9.369 1.00 . A A . 7 SER CA 1 1 3 394 1 1 7 SER CB C -6.299 -5.036 -9.083 1.00 . A A . 7 SER CB 1 1 3 395 1 1 7 SER H H -4.170 -5.920 -8.011 1.00 . A A . 7 SER H 1 1 3 396 1 1 7 SER HA H -6.455 -7.171 -9.130 1.00 . A A . 7 SER HA 1 1 3 397 1 1 7 SER HB2 H -7.113 -4.844 -9.765 1.00 . A A . 7 SER HB2 1 1 3 398 1 1 7 SER HB3 H -6.664 -5.005 -8.067 1.00 . A A . 7 SER HB3 1 1 3 399 1 1 7 SER HG H -5.227 -3.532 -8.429 1.00 . A A . 7 SER HG 1 1 3 400 1 1 7 SER N N -4.548 -6.662 -8.528 1.00 . A A . 7 SER N 1 1 3 401 1 1 7 SER O O -6.190 -6.904 -11.673 1.00 . A A . 7 SER O 1 1 3 402 1 1 7 SER OG O -5.318 -4.026 -9.247 1.00 . A A . 7 SER OG 1 1 3 403 1 1 8 ARG C C -2.670 -7.466 -12.734 1.00 . A A . 8 ARG C 1 1 3 404 1 1 8 ARG CA C -3.631 -6.297 -12.548 1.00 . A A . 8 ARG CA 1 1 3 405 1 1 8 ARG CB C -2.942 -4.988 -12.939 1.00 . A A . 8 ARG CB 1 1 3 406 1 1 8 ARG CD C -3.367 -2.737 -11.907 1.00 . A A . 8 ARG CD 1 1 3 407 1 1 8 ARG CG C -3.862 -3.779 -12.897 1.00 . A A . 8 ARG CG 1 1 3 408 1 1 8 ARG CZ C -4.237 -0.724 -10.796 1.00 . A A . 8 ARG CZ 1 1 3 409 1 1 8 ARG H H -3.484 -5.943 -10.466 1.00 . A A . 8 ARG H 1 1 3 410 1 1 8 ARG HA H -4.490 -6.446 -13.186 1.00 . A A . 8 ARG HA 1 1 3 411 1 1 8 ARG HB2 H -2.120 -4.811 -12.262 1.00 . A A . 8 ARG HB2 1 1 3 412 1 1 8 ARG HB3 H -2.557 -5.085 -13.943 1.00 . A A . 8 ARG HB3 1 1 3 413 1 1 8 ARG HD2 H -3.242 -3.207 -10.942 1.00 . A A . 8 ARG HD2 1 1 3 414 1 1 8 ARG HD3 H -2.415 -2.359 -12.249 1.00 . A A . 8 ARG HD3 1 1 3 415 1 1 8 ARG HE H -5.008 -1.539 -12.444 1.00 . A A . 8 ARG HE 1 1 3 416 1 1 8 ARG HG2 H -3.902 -3.334 -13.880 1.00 . A A . 8 ARG HG2 1 1 3 417 1 1 8 ARG HG3 H -4.850 -4.100 -12.604 1.00 . A A . 8 ARG HG3 1 1 3 418 1 1 8 ARG HH11 H -2.620 -1.551 -9.911 1.00 . A A . 8 ARG HH11 1 1 3 419 1 1 8 ARG HH12 H -3.244 -0.131 -9.138 1.00 . A A . 8 ARG HH12 1 1 3 420 1 1 8 ARG HH21 H -5.839 0.331 -11.436 1.00 . A A . 8 ARG HH21 1 1 3 421 1 1 8 ARG HH22 H -5.075 0.938 -10.006 1.00 . A A . 8 ARG HH22 1 1 3 422 1 1 8 ARG N N -4.104 -6.227 -11.170 1.00 . A A . 8 ARG N 1 1 3 423 1 1 8 ARG NE N -4.300 -1.622 -11.773 1.00 . A A . 8 ARG NE 1 1 3 424 1 1 8 ARG NH1 N -3.290 -0.809 -9.872 1.00 . A A . 8 ARG NH1 1 1 3 425 1 1 8 ARG NH2 N -5.123 0.263 -10.742 1.00 . A A . 8 ARG NH2 1 1 3 426 1 1 8 ARG O O -2.041 -7.604 -13.784 1.00 . A A . 8 ARG O 1 1 4 427 1 1 1 LYS C C 2.905 -2.085 -2.209 1.00 . A A . 1 LYS C 1 1 4 428 1 1 1 LYS CA C 2.275 -0.828 -1.617 1.00 . A A . 1 LYS CA 1 1 4 429 1 1 1 LYS CB C 2.818 0.411 -2.331 1.00 . A A . 1 LYS CB 1 1 4 430 1 1 1 LYS CD C 2.726 2.829 -1.655 1.00 . A A . 1 LYS CD 1 1 4 431 1 1 1 LYS CE C 1.859 4.075 -1.562 1.00 . A A . 1 LYS CE 1 1 4 432 1 1 1 LYS CG C 1.937 1.639 -2.174 1.00 . A A . 1 LYS CG 1 1 4 433 1 1 1 LYS H1 H 3.081 -1.433 0.245 1.00 . A A . 1 LYS H1 1 1 4 434 1 1 1 LYS HA H 1.206 -0.875 -1.758 1.00 . A A . 1 LYS HA 1 1 4 435 1 1 1 LYS HB2 H 3.795 0.642 -1.933 1.00 . A A . 1 LYS HB2 1 1 4 436 1 1 1 LYS HB3 H 2.911 0.193 -3.385 1.00 . A A . 1 LYS HB3 1 1 4 437 1 1 1 LYS HD2 H 3.109 2.596 -0.673 1.00 . A A . 1 LYS HD2 1 1 4 438 1 1 1 LYS HD3 H 3.550 3.024 -2.327 1.00 . A A . 1 LYS HD3 1 1 4 439 1 1 1 LYS HE2 H 2.493 4.945 -1.629 1.00 . A A . 1 LYS HE2 1 1 4 440 1 1 1 LYS HE3 H 1.160 4.073 -2.385 1.00 . A A . 1 LYS HE3 1 1 4 441 1 1 1 LYS HG2 H 1.514 1.892 -3.135 1.00 . A A . 1 LYS HG2 1 1 4 442 1 1 1 LYS HG3 H 1.143 1.413 -1.477 1.00 . A A . 1 LYS HG3 1 1 4 443 1 1 1 LYS HZ1 H 0.116 3.825 -0.437 1.00 . A A . 1 LYS HZ1 1 1 4 444 1 1 1 LYS HZ2 H 1.098 5.097 0.094 1.00 . A A . 1 LYS HZ2 1 1 4 445 1 1 1 LYS HZ3 H 1.538 3.496 0.420 1.00 . A A . 1 LYS HZ3 1 1 4 446 1 1 1 LYS N N 2.534 -0.741 -0.185 1.00 . A A . 1 LYS N 1 1 4 447 1 1 1 LYS NZ N 1.099 4.127 -0.282 1.00 . A A . 1 LYS NZ 1 1 4 448 1 1 1 LYS O O 3.526 -2.040 -3.270 1.00 . A A . 1 LYS O 1 1 4 449 1 1 2 PHE C C 2.238 -5.290 -2.722 1.00 . A A . 2 PHE C 1 1 4 450 1 1 2 PHE CA C 3.290 -4.477 -1.973 1.00 . A A . 2 PHE CA 1 1 4 451 1 1 2 PHE CB C 3.824 -5.283 -0.787 1.00 . A A . 2 PHE CB 1 1 4 452 1 1 2 PHE CD1 C 6.285 -4.851 -0.555 1.00 . A A . 2 PHE CD1 1 1 4 453 1 1 2 PHE CD2 C 4.802 -3.814 0.998 1.00 . A A . 2 PHE CD2 1 1 4 454 1 1 2 PHE CE1 C 7.363 -4.258 0.075 1.00 . A A . 2 PHE CE1 1 1 4 455 1 1 2 PHE CE2 C 5.876 -3.218 1.632 1.00 . A A . 2 PHE CE2 1 1 4 456 1 1 2 PHE CG C 4.993 -4.636 -0.101 1.00 . A A . 2 PHE CG 1 1 4 457 1 1 2 PHE CZ C 7.158 -3.440 1.168 1.00 . A A . 2 PHE CZ 1 1 4 458 1 1 2 PHE H H 2.233 -3.180 -0.676 1.00 . A A . 2 PHE H 1 1 4 459 1 1 2 PHE HA H 4.106 -4.260 -2.646 1.00 . A A . 2 PHE HA 1 1 4 460 1 1 2 PHE HB2 H 3.036 -5.401 -0.058 1.00 . A A . 2 PHE HB2 1 1 4 461 1 1 2 PHE HB3 H 4.137 -6.256 -1.133 1.00 . A A . 2 PHE HB3 1 1 4 462 1 1 2 PHE HD1 H 6.446 -5.489 -1.411 1.00 . A A . 2 PHE HD1 1 1 4 463 1 1 2 PHE HD2 H 3.798 -3.640 1.361 1.00 . A A . 2 PHE HD2 1 1 4 464 1 1 2 PHE HE1 H 8.364 -4.432 -0.290 1.00 . A A . 2 PHE HE1 1 1 4 465 1 1 2 PHE HE2 H 5.712 -2.579 2.486 1.00 . A A . 2 PHE HE2 1 1 4 466 1 1 2 PHE HZ H 7.999 -2.976 1.662 1.00 . A A . 2 PHE HZ 1 1 4 467 1 1 2 PHE N N 2.738 -3.207 -1.516 1.00 . A A . 2 PHE N 1 1 4 468 1 1 2 PHE O O 2.564 -6.112 -3.577 1.00 . A A . 2 PHE O 1 1 4 469 1 1 3 GLY C C -0.915 -4.886 -3.974 1.00 . A A . 3 GLY C 1 1 4 470 1 1 3 GLY CA C -0.111 -5.770 -3.041 1.00 . A A . 3 GLY CA 1 1 4 471 1 1 3 GLY H H 0.770 -4.386 -1.703 1.00 . A A . 3 GLY H 1 1 4 472 1 1 3 GLY HA2 H 0.305 -6.590 -3.608 1.00 . A A . 3 GLY HA2 1 1 4 473 1 1 3 GLY HA3 H -0.770 -6.167 -2.283 1.00 . A A . 3 GLY HA3 1 1 4 474 1 1 3 GLY N N 0.971 -5.053 -2.392 1.00 . A A . 3 GLY N 1 1 4 475 1 1 3 GLY O O -2.094 -5.141 -4.220 1.00 . A A . 3 GLY O 1 1 4 476 1 1 4 LYS C C -1.076 -3.525 -6.796 1.00 . A A . 4 LYS C 1 1 4 477 1 1 4 LYS CA C -0.941 -2.917 -5.404 1.00 . A A . 4 LYS CA 1 1 4 478 1 1 4 LYS CB C -0.161 -1.602 -5.484 1.00 . A A . 4 LYS CB 1 1 4 479 1 1 4 LYS CD C 0.416 -0.890 -7.823 1.00 . A A . 4 LYS CD 1 1 4 480 1 1 4 LYS CE C -0.312 -0.946 -9.157 1.00 . A A . 4 LYS CE 1 1 4 481 1 1 4 LYS CG C -0.555 -0.732 -6.665 1.00 . A A . 4 LYS CG 1 1 4 482 1 1 4 LYS H H 0.663 -3.692 -4.260 1.00 . A A . 4 LYS H 1 1 4 483 1 1 4 LYS HA H -1.927 -2.717 -5.014 1.00 . A A . 4 LYS HA 1 1 4 484 1 1 4 LYS HB2 H -0.331 -1.041 -4.577 1.00 . A A . 4 LYS HB2 1 1 4 485 1 1 4 LYS HB3 H 0.893 -1.827 -5.566 1.00 . A A . 4 LYS HB3 1 1 4 486 1 1 4 LYS HD2 H 1.094 -0.049 -7.830 1.00 . A A . 4 LYS HD2 1 1 4 487 1 1 4 LYS HD3 H 0.976 -1.805 -7.689 1.00 . A A . 4 LYS HD3 1 1 4 488 1 1 4 LYS HE2 H 0.388 -1.250 -9.921 1.00 . A A . 4 LYS HE2 1 1 4 489 1 1 4 LYS HE3 H -1.107 -1.673 -9.088 1.00 . A A . 4 LYS HE3 1 1 4 490 1 1 4 LYS HG2 H -1.543 -1.017 -6.997 1.00 . A A . 4 LYS HG2 1 1 4 491 1 1 4 LYS HG3 H -0.563 0.302 -6.352 1.00 . A A . 4 LYS HG3 1 1 4 492 1 1 4 LYS HZ1 H -0.949 0.462 -10.563 1.00 . A A . 4 LYS HZ1 1 1 4 493 1 1 4 LYS HZ2 H -0.296 1.143 -9.159 1.00 . A A . 4 LYS HZ2 1 1 4 494 1 1 4 LYS HZ3 H -1.847 0.470 -9.130 1.00 . A A . 4 LYS HZ3 1 1 4 495 1 1 4 LYS N N -0.278 -3.843 -4.494 1.00 . A A . 4 LYS N 1 1 4 496 1 1 4 LYS NZ N -0.892 0.375 -9.529 1.00 . A A . 4 LYS NZ 1 1 4 497 1 1 4 LYS O O -1.979 -3.172 -7.553 1.00 . A A . 4 LYS O 1 1 4 498 1 1 5 ASN C C -0.448 -6.598 -8.276 1.00 . A A . 5 ASN C 1 1 4 499 1 1 5 ASN CA C -0.192 -5.101 -8.427 1.00 . A A . 5 ASN CA 1 1 4 500 1 1 5 ASN CB C 1.132 -4.871 -9.159 1.00 . A A . 5 ASN CB 1 1 4 501 1 1 5 ASN CG C 2.313 -5.468 -8.418 1.00 . A A . 5 ASN CG 1 1 4 502 1 1 5 ASN H H 0.524 -4.683 -6.480 1.00 . A A . 5 ASN H 1 1 4 503 1 1 5 ASN HA H -0.993 -4.667 -9.006 1.00 . A A . 5 ASN HA 1 1 4 504 1 1 5 ASN HB2 H 1.079 -5.325 -10.138 1.00 . A A . 5 ASN HB2 1 1 4 505 1 1 5 ASN HB3 H 1.297 -3.810 -9.267 1.00 . A A . 5 ASN HB3 1 1 4 506 1 1 5 ASN HD21 H 3.116 -3.663 -8.193 1.00 . A A . 5 ASN HD21 1 1 4 507 1 1 5 ASN HD22 H 4.017 -4.976 -7.521 1.00 . A A . 5 ASN HD22 1 1 4 508 1 1 5 ASN N N -0.172 -4.443 -7.126 1.00 . A A . 5 ASN N 1 1 4 509 1 1 5 ASN ND2 N 3.242 -4.616 -8.002 1.00 . A A . 5 ASN ND2 1 1 4 510 1 1 5 ASN O O -0.024 -7.399 -9.109 1.00 . A A . 5 ASN O 1 1 4 511 1 1 5 ASN OD1 O 2.388 -6.682 -8.223 1.00 . A A . 5 ASN OD1 1 1 4 512 1 1 6 LYS C C -2.337 -8.943 -8.054 1.00 . A A . 6 LYS C 1 1 4 513 1 1 6 LYS CA C -1.462 -8.367 -6.946 1.00 . A A . 6 LYS CA 1 1 4 514 1 1 6 LYS CB C -2.170 -8.508 -5.596 1.00 . A A . 6 LYS CB 1 1 4 515 1 1 6 LYS CD C -4.014 -7.490 -4.227 1.00 . A A . 6 LYS CD 1 1 4 516 1 1 6 LYS CE C -4.800 -8.548 -3.468 1.00 . A A . 6 LYS CE 1 1 4 517 1 1 6 LYS CG C -3.597 -7.986 -5.601 1.00 . A A . 6 LYS CG 1 1 4 518 1 1 6 LYS H H -1.457 -6.282 -6.579 1.00 . A A . 6 LYS H 1 1 4 519 1 1 6 LYS HA H -0.533 -8.916 -6.914 1.00 . A A . 6 LYS HA 1 1 4 520 1 1 6 LYS HB2 H -2.192 -9.552 -5.322 1.00 . A A . 6 LYS HB2 1 1 4 521 1 1 6 LYS HB3 H -1.612 -7.960 -4.851 1.00 . A A . 6 LYS HB3 1 1 4 522 1 1 6 LYS HD2 H -3.129 -7.240 -3.660 1.00 . A A . 6 LYS HD2 1 1 4 523 1 1 6 LYS HD3 H -4.630 -6.610 -4.343 1.00 . A A . 6 LYS HD3 1 1 4 524 1 1 6 LYS HE2 H -4.566 -9.517 -3.880 1.00 . A A . 6 LYS HE2 1 1 4 525 1 1 6 LYS HE3 H -4.507 -8.518 -2.429 1.00 . A A . 6 LYS HE3 1 1 4 526 1 1 6 LYS HG2 H -3.670 -7.169 -6.304 1.00 . A A . 6 LYS HG2 1 1 4 527 1 1 6 LYS HG3 H -4.261 -8.783 -5.903 1.00 . A A . 6 LYS HG3 1 1 4 528 1 1 6 LYS HZ1 H -6.463 -7.335 -3.830 1.00 . A A . 6 LYS HZ1 1 1 4 529 1 1 6 LYS HZ2 H -6.721 -8.518 -2.648 1.00 . A A . 6 LYS HZ2 1 1 4 530 1 1 6 LYS HZ3 H -6.681 -8.951 -4.282 1.00 . A A . 6 LYS HZ3 1 1 4 531 1 1 6 LYS N N -1.146 -6.968 -7.207 1.00 . A A . 6 LYS N 1 1 4 532 1 1 6 LYS NZ N -6.269 -8.322 -3.564 1.00 . A A . 6 LYS NZ 1 1 4 533 1 1 6 LYS O O -2.329 -10.149 -8.300 1.00 . A A . 6 LYS O 1 1 4 534 1 1 7 SER C C -3.455 -8.005 -11.149 1.00 . A A . 7 SER C 1 1 4 535 1 1 7 SER CA C -3.972 -8.497 -9.801 1.00 . A A . 7 SER CA 1 1 4 536 1 1 7 SER CB C -5.390 -7.975 -9.565 1.00 . A A . 7 SER CB 1 1 4 537 1 1 7 SER H H -3.052 -7.125 -8.477 1.00 . A A . 7 SER H 1 1 4 538 1 1 7 SER HA H -3.992 -9.577 -9.809 1.00 . A A . 7 SER HA 1 1 4 539 1 1 7 SER HB2 H -5.783 -8.406 -8.657 1.00 . A A . 7 SER HB2 1 1 4 540 1 1 7 SER HB3 H -5.363 -6.899 -9.470 1.00 . A A . 7 SER HB3 1 1 4 541 1 1 7 SER HG H -6.426 -7.536 -11.168 1.00 . A A . 7 SER HG 1 1 4 542 1 1 7 SER N N -3.090 -8.074 -8.720 1.00 . A A . 7 SER N 1 1 4 543 1 1 7 SER O O -3.723 -8.609 -12.188 1.00 . A A . 7 SER O 1 1 4 544 1 1 7 SER OG O -6.246 -8.317 -10.641 1.00 . A A . 7 SER OG 1 1 4 545 1 1 8 ARG C C -0.994 -7.170 -12.862 1.00 . A A . 8 ARG C 1 1 4 546 1 1 8 ARG CA C -2.156 -6.329 -12.344 1.00 . A A . 8 ARG CA 1 1 4 547 1 1 8 ARG CB C -1.688 -4.895 -12.089 1.00 . A A . 8 ARG CB 1 1 4 548 1 1 8 ARG CD C -3.658 -3.635 -13.010 1.00 . A A . 8 ARG CD 1 1 4 549 1 1 8 ARG CG C -2.166 -3.903 -13.136 1.00 . A A . 8 ARG CG 1 1 4 550 1 1 8 ARG CZ C -3.780 -1.256 -13.618 1.00 . A A . 8 ARG CZ 1 1 4 551 1 1 8 ARG H H -2.531 -6.467 -10.265 1.00 . A A . 8 ARG H 1 1 4 552 1 1 8 ARG HA H -2.937 -6.316 -13.089 1.00 . A A . 8 ARG HA 1 1 4 553 1 1 8 ARG HB2 H -2.056 -4.573 -11.126 1.00 . A A . 8 ARG HB2 1 1 4 554 1 1 8 ARG HB3 H -0.608 -4.879 -12.076 1.00 . A A . 8 ARG HB3 1 1 4 555 1 1 8 ARG HD2 H -4.140 -3.911 -13.936 1.00 . A A . 8 ARG HD2 1 1 4 556 1 1 8 ARG HD3 H -4.051 -4.239 -12.206 1.00 . A A . 8 ARG HD3 1 1 4 557 1 1 8 ARG HE H -4.264 -2.002 -11.833 1.00 . A A . 8 ARG HE 1 1 4 558 1 1 8 ARG HG2 H -1.633 -2.972 -13.008 1.00 . A A . 8 ARG HG2 1 1 4 559 1 1 8 ARG HG3 H -1.963 -4.304 -14.118 1.00 . A A . 8 ARG HG3 1 1 4 560 1 1 8 ARG HH11 H -3.133 -2.478 -15.091 1.00 . A A . 8 ARG HH11 1 1 4 561 1 1 8 ARG HH12 H -3.224 -0.799 -15.507 1.00 . A A . 8 ARG HH12 1 1 4 562 1 1 8 ARG HH21 H -4.388 0.211 -12.368 1.00 . A A . 8 ARG HH21 1 1 4 563 1 1 8 ARG HH22 H -3.937 0.730 -13.957 1.00 . A A . 8 ARG HH22 1 1 4 564 1 1 8 ARG N N -2.711 -6.904 -11.124 1.00 . A A . 8 ARG N 1 1 4 565 1 1 8 ARG NE N -3.940 -2.230 -12.729 1.00 . A A . 8 ARG NE 1 1 4 566 1 1 8 ARG NH1 N -3.343 -1.534 -14.838 1.00 . A A . 8 ARG NH1 1 1 4 567 1 1 8 ARG NH2 N -4.058 -0.002 -13.287 1.00 . A A . 8 ARG NH2 1 1 4 568 1 1 8 ARG O O -1.187 -8.085 -13.664 1.00 . A A . 8 ARG O 1 1 5 569 1 1 1 LYS C C 2.121 -2.102 -2.319 1.00 . A A . 1 LYS C 1 1 5 570 1 1 1 LYS CA C 2.222 -1.105 -1.169 1.00 . A A . 1 LYS CA 1 1 5 571 1 1 1 LYS CB C 2.117 0.323 -1.707 1.00 . A A . 1 LYS CB 1 1 5 572 1 1 1 LYS CD C 2.908 0.810 -4.041 1.00 . A A . 1 LYS CD 1 1 5 573 1 1 1 LYS CE C 2.867 2.249 -4.534 1.00 . A A . 1 LYS CE 1 1 5 574 1 1 1 LYS CG C 3.294 0.735 -2.573 1.00 . A A . 1 LYS CG 1 1 5 575 1 1 1 LYS H1 H 4.322 -1.207 -0.921 1.00 . A A . 1 LYS H1 1 1 5 576 1 1 1 LYS HA H 1.409 -1.283 -0.482 1.00 . A A . 1 LYS HA 1 1 5 577 1 1 1 LYS HB2 H 1.216 0.407 -2.297 1.00 . A A . 1 LYS HB2 1 1 5 578 1 1 1 LYS HB3 H 2.055 1.006 -0.872 1.00 . A A . 1 LYS HB3 1 1 5 579 1 1 1 LYS HD2 H 3.633 0.263 -4.624 1.00 . A A . 1 LYS HD2 1 1 5 580 1 1 1 LYS HD3 H 1.931 0.367 -4.170 1.00 . A A . 1 LYS HD3 1 1 5 581 1 1 1 LYS HE2 H 3.816 2.717 -4.317 1.00 . A A . 1 LYS HE2 1 1 5 582 1 1 1 LYS HE3 H 2.703 2.245 -5.601 1.00 . A A . 1 LYS HE3 1 1 5 583 1 1 1 LYS HG2 H 3.643 1.706 -2.254 1.00 . A A . 1 LYS HG2 1 1 5 584 1 1 1 LYS HG3 H 4.087 0.010 -2.456 1.00 . A A . 1 LYS HG3 1 1 5 585 1 1 1 LYS HZ1 H 1.974 4.048 -3.960 1.00 . A A . 1 LYS HZ1 1 1 5 586 1 1 1 LYS HZ2 H 1.719 2.778 -2.871 1.00 . A A . 1 LYS HZ2 1 1 5 587 1 1 1 LYS HZ3 H 0.869 2.822 -4.333 1.00 . A A . 1 LYS HZ3 1 1 5 588 1 1 1 LYS N N 3.472 -1.279 -0.438 1.00 . A A . 1 LYS N 1 1 5 589 1 1 1 LYS NZ N 1.781 3.029 -3.879 1.00 . A A . 1 LYS NZ 1 1 5 590 1 1 1 LYS O O 1.447 -1.847 -3.317 1.00 . A A . 1 LYS O 1 1 5 591 1 1 2 PHE C C 1.471 -5.056 -3.164 1.00 . A A . 2 PHE C 1 1 5 592 1 1 2 PHE CA C 2.781 -4.274 -3.199 1.00 . A A . 2 PHE CA 1 1 5 593 1 1 2 PHE CB C 3.963 -5.226 -3.009 1.00 . A A . 2 PHE CB 1 1 5 594 1 1 2 PHE CD1 C 5.258 -4.944 -5.139 1.00 . A A . 2 PHE CD1 1 1 5 595 1 1 2 PHE CD2 C 6.288 -4.287 -3.092 1.00 . A A . 2 PHE CD2 1 1 5 596 1 1 2 PHE CE1 C 6.390 -4.563 -5.834 1.00 . A A . 2 PHE CE1 1 1 5 597 1 1 2 PHE CE2 C 7.423 -3.905 -3.781 1.00 . A A . 2 PHE CE2 1 1 5 598 1 1 2 PHE CG C 5.194 -4.811 -3.762 1.00 . A A . 2 PHE CG 1 1 5 599 1 1 2 PHE CZ C 7.474 -4.042 -5.155 1.00 . A A . 2 PHE CZ 1 1 5 600 1 1 2 PHE H H 3.315 -3.383 -1.354 1.00 . A A . 2 PHE H 1 1 5 601 1 1 2 PHE HA H 2.871 -3.789 -4.159 1.00 . A A . 2 PHE HA 1 1 5 602 1 1 2 PHE HB2 H 4.215 -5.271 -1.960 1.00 . A A . 2 PHE HB2 1 1 5 603 1 1 2 PHE HB3 H 3.680 -6.211 -3.349 1.00 . A A . 2 PHE HB3 1 1 5 604 1 1 2 PHE HD1 H 4.411 -5.351 -5.673 1.00 . A A . 2 PHE HD1 1 1 5 605 1 1 2 PHE HD2 H 6.249 -4.179 -2.017 1.00 . A A . 2 PHE HD2 1 1 5 606 1 1 2 PHE HE1 H 6.427 -4.671 -6.908 1.00 . A A . 2 PHE HE1 1 1 5 607 1 1 2 PHE HE2 H 8.268 -3.497 -3.247 1.00 . A A . 2 PHE HE2 1 1 5 608 1 1 2 PHE HZ H 8.360 -3.744 -5.695 1.00 . A A . 2 PHE HZ 1 1 5 609 1 1 2 PHE N N 2.795 -3.238 -2.172 1.00 . A A . 2 PHE N 1 1 5 610 1 1 2 PHE O O 0.991 -5.531 -4.192 1.00 . A A . 2 PHE O 1 1 5 611 1 1 3 GLY C C -1.500 -5.241 -2.543 1.00 . A A . 3 GLY C 1 1 5 612 1 1 3 GLY CA C -0.349 -5.914 -1.822 1.00 . A A . 3 GLY CA 1 1 5 613 1 1 3 GLY H H 1.328 -4.788 -1.185 1.00 . A A . 3 GLY H 1 1 5 614 1 1 3 GLY HA2 H -0.222 -6.910 -2.218 1.00 . A A . 3 GLY HA2 1 1 5 615 1 1 3 GLY HA3 H -0.589 -5.983 -0.771 1.00 . A A . 3 GLY HA3 1 1 5 616 1 1 3 GLY N N 0.899 -5.188 -1.970 1.00 . A A . 3 GLY N 1 1 5 617 1 1 3 GLY O O -2.485 -5.890 -2.897 1.00 . A A . 3 GLY O 1 1 5 618 1 1 4 LYS C C -2.378 -3.428 -4.947 1.00 . A A . 4 LYS C 1 1 5 619 1 1 4 LYS CA C -2.417 -3.174 -3.444 1.00 . A A . 4 LYS CA 1 1 5 620 1 1 4 LYS CB C -2.249 -1.679 -3.164 1.00 . A A . 4 LYS CB 1 1 5 621 1 1 4 LYS CD C -2.159 -0.251 -5.228 1.00 . A A . 4 LYS CD 1 1 5 622 1 1 4 LYS CE C -2.046 1.265 -5.166 1.00 . A A . 4 LYS CE 1 1 5 623 1 1 4 LYS CG C -3.036 -0.790 -4.111 1.00 . A A . 4 LYS CG 1 1 5 624 1 1 4 LYS H H -0.569 -3.474 -2.455 1.00 . A A . 4 LYS H 1 1 5 625 1 1 4 LYS HA H -3.373 -3.498 -3.061 1.00 . A A . 4 LYS HA 1 1 5 626 1 1 4 LYS HB2 H -2.577 -1.475 -2.155 1.00 . A A . 4 LYS HB2 1 1 5 627 1 1 4 LYS HB3 H -1.202 -1.424 -3.251 1.00 . A A . 4 LYS HB3 1 1 5 628 1 1 4 LYS HD2 H -1.172 -0.678 -5.138 1.00 . A A . 4 LYS HD2 1 1 5 629 1 1 4 LYS HD3 H -2.589 -0.532 -6.179 1.00 . A A . 4 LYS HD3 1 1 5 630 1 1 4 LYS HE2 H -1.705 1.547 -4.181 1.00 . A A . 4 LYS HE2 1 1 5 631 1 1 4 LYS HE3 H -1.325 1.589 -5.902 1.00 . A A . 4 LYS HE3 1 1 5 632 1 1 4 LYS HG2 H -3.840 -1.365 -4.545 1.00 . A A . 4 LYS HG2 1 1 5 633 1 1 4 LYS HG3 H -3.445 0.041 -3.554 1.00 . A A . 4 LYS HG3 1 1 5 634 1 1 4 LYS HZ1 H -3.195 2.834 -5.927 1.00 . A A . 4 LYS HZ1 1 1 5 635 1 1 4 LYS HZ2 H -3.850 2.113 -4.544 1.00 . A A . 4 LYS HZ2 1 1 5 636 1 1 4 LYS HZ3 H -3.944 1.321 -6.035 1.00 . A A . 4 LYS HZ3 1 1 5 637 1 1 4 LYS N N -1.379 -3.936 -2.761 1.00 . A A . 4 LYS N 1 1 5 638 1 1 4 LYS NZ N -3.350 1.930 -5.437 1.00 . A A . 4 LYS NZ 1 1 5 639 1 1 4 LYS O O -3.392 -3.305 -5.633 1.00 . A A . 4 LYS O 1 1 5 640 1 1 5 ASN C C -0.950 -5.557 -7.136 1.00 . A A . 5 ASN C 1 1 5 641 1 1 5 ASN CA C -1.032 -4.056 -6.875 1.00 . A A . 5 ASN CA 1 1 5 642 1 1 5 ASN CB C 0.229 -3.366 -7.401 1.00 . A A . 5 ASN CB 1 1 5 643 1 1 5 ASN CG C 0.160 -1.857 -7.269 1.00 . A A . 5 ASN CG 1 1 5 644 1 1 5 ASN H H -0.429 -3.864 -4.855 1.00 . A A . 5 ASN H 1 1 5 645 1 1 5 ASN HA H -1.891 -3.658 -7.394 1.00 . A A . 5 ASN HA 1 1 5 646 1 1 5 ASN HB2 H 1.084 -3.718 -6.842 1.00 . A A . 5 ASN HB2 1 1 5 647 1 1 5 ASN HB3 H 0.360 -3.613 -8.444 1.00 . A A . 5 ASN HB3 1 1 5 648 1 1 5 ASN HD21 H 1.631 -1.882 -5.932 1.00 . A A . 5 ASN HD21 1 1 5 649 1 1 5 ASN HD22 H 0.990 -0.324 -6.315 1.00 . A A . 5 ASN HD22 1 1 5 650 1 1 5 ASN N N -1.202 -3.783 -5.453 1.00 . A A . 5 ASN N 1 1 5 651 1 1 5 ASN ND2 N 1.014 -1.298 -6.420 1.00 . A A . 5 ASN ND2 1 1 5 652 1 1 5 ASN O O -0.350 -5.996 -8.117 1.00 . A A . 5 ASN O 1 1 5 653 1 1 5 ASN OD1 O -0.651 -1.202 -7.925 1.00 . A A . 5 ASN OD1 1 1 5 654 1 1 6 LYS C C -2.351 -8.225 -7.614 1.00 . A A . 6 LYS C 1 1 5 655 1 1 6 LYS CA C -1.558 -7.791 -6.385 1.00 . A A . 6 LYS CA 1 1 5 656 1 1 6 LYS CB C -2.147 -8.440 -5.131 1.00 . A A . 6 LYS CB 1 1 5 657 1 1 6 LYS CD C -4.126 -8.618 -3.594 1.00 . A A . 6 LYS CD 1 1 5 658 1 1 6 LYS CE C -5.634 -8.466 -3.465 1.00 . A A . 6 LYS CE 1 1 5 659 1 1 6 LYS CG C -3.643 -8.225 -4.980 1.00 . A A . 6 LYS CG 1 1 5 660 1 1 6 LYS H H -2.021 -5.929 -5.490 1.00 . A A . 6 LYS H 1 1 5 661 1 1 6 LYS HA H -0.534 -8.113 -6.500 1.00 . A A . 6 LYS HA 1 1 5 662 1 1 6 LYS HB2 H -1.959 -9.503 -5.167 1.00 . A A . 6 LYS HB2 1 1 5 663 1 1 6 LYS HB3 H -1.656 -8.026 -4.262 1.00 . A A . 6 LYS HB3 1 1 5 664 1 1 6 LYS HD2 H -3.862 -9.648 -3.408 1.00 . A A . 6 LYS HD2 1 1 5 665 1 1 6 LYS HD3 H -3.645 -7.984 -2.862 1.00 . A A . 6 LYS HD3 1 1 5 666 1 1 6 LYS HE2 H -5.853 -7.474 -3.103 1.00 . A A . 6 LYS HE2 1 1 5 667 1 1 6 LYS HE3 H -6.080 -8.601 -4.439 1.00 . A A . 6 LYS HE3 1 1 5 668 1 1 6 LYS HG2 H -3.866 -7.181 -5.144 1.00 . A A . 6 LYS HG2 1 1 5 669 1 1 6 LYS HG3 H -4.160 -8.826 -5.715 1.00 . A A . 6 LYS HG3 1 1 5 670 1 1 6 LYS HZ1 H -7.125 -9.810 -2.886 1.00 . A A . 6 LYS HZ1 1 1 5 671 1 1 6 LYS HZ2 H -6.365 -9.030 -1.591 1.00 . A A . 6 LYS HZ2 1 1 5 672 1 1 6 LYS HZ3 H -5.566 -10.271 -2.416 1.00 . A A . 6 LYS HZ3 1 1 5 673 1 1 6 LYS N N -1.559 -6.339 -6.252 1.00 . A A . 6 LYS N 1 1 5 674 1 1 6 LYS NZ N -6.213 -9.464 -2.524 1.00 . A A . 6 LYS NZ 1 1 5 675 1 1 6 LYS O O -2.102 -9.288 -8.181 1.00 . A A . 6 LYS O 1 1 5 676 1 1 7 SER C C -3.349 -7.504 -10.476 1.00 . A A . 7 SER C 1 1 5 677 1 1 7 SER CA C -4.135 -7.692 -9.182 1.00 . A A . 7 SER CA 1 1 5 678 1 1 7 SER CB C -5.376 -6.797 -9.192 1.00 . A A . 7 SER CB 1 1 5 679 1 1 7 SER H H -3.455 -6.560 -7.528 1.00 . A A . 7 SER H 1 1 5 680 1 1 7 SER HA H -4.446 -8.724 -9.111 1.00 . A A . 7 SER HA 1 1 5 681 1 1 7 SER HB2 H -5.100 -5.807 -9.519 1.00 . A A . 7 SER HB2 1 1 5 682 1 1 7 SER HB3 H -6.108 -7.210 -9.871 1.00 . A A . 7 SER HB3 1 1 5 683 1 1 7 SER HG H -5.543 -5.987 -7.416 1.00 . A A . 7 SER HG 1 1 5 684 1 1 7 SER N N -3.305 -7.393 -8.022 1.00 . A A . 7 SER N 1 1 5 685 1 1 7 SER O O -3.416 -8.334 -11.383 1.00 . A A . 7 SER O 1 1 5 686 1 1 7 SER OG O -5.951 -6.709 -7.900 1.00 . A A . 7 SER OG 1 1 5 687 1 1 8 ARG C C -0.320 -6.045 -11.388 1.00 . A A . 8 ARG C 1 1 5 688 1 1 8 ARG CA C -1.804 -6.107 -11.736 1.00 . A A . 8 ARG CA 1 1 5 689 1 1 8 ARG CB C -2.250 -4.782 -12.356 1.00 . A A . 8 ARG CB 1 1 5 690 1 1 8 ARG CD C -0.441 -3.236 -13.166 1.00 . A A . 8 ARG CD 1 1 5 691 1 1 8 ARG CG C -1.404 -4.350 -13.544 1.00 . A A . 8 ARG CG 1 1 5 692 1 1 8 ARG CZ C 1.259 -3.486 -14.925 1.00 . A A . 8 ARG CZ 1 1 5 693 1 1 8 ARG H H -2.591 -5.782 -9.798 1.00 . A A . 8 ARG H 1 1 5 694 1 1 8 ARG HA H -1.961 -6.900 -12.452 1.00 . A A . 8 ARG HA 1 1 5 695 1 1 8 ARG HB2 H -3.273 -4.878 -12.688 1.00 . A A . 8 ARG HB2 1 1 5 696 1 1 8 ARG HB3 H -2.195 -4.009 -11.604 1.00 . A A . 8 ARG HB3 1 1 5 697 1 1 8 ARG HD2 H -0.792 -2.312 -13.601 1.00 . A A . 8 ARG HD2 1 1 5 698 1 1 8 ARG HD3 H -0.424 -3.143 -12.090 1.00 . A A . 8 ARG HD3 1 1 5 699 1 1 8 ARG HE H 1.601 -3.696 -12.971 1.00 . A A . 8 ARG HE 1 1 5 700 1 1 8 ARG HG2 H -0.836 -5.198 -13.896 1.00 . A A . 8 ARG HG2 1 1 5 701 1 1 8 ARG HG3 H -2.057 -4.000 -14.330 1.00 . A A . 8 ARG HG3 1 1 5 702 1 1 8 ARG HH11 H -0.594 -3.033 -15.591 1.00 . A A . 8 ARG HH11 1 1 5 703 1 1 8 ARG HH12 H 0.613 -3.212 -16.820 1.00 . A A . 8 ARG HH12 1 1 5 704 1 1 8 ARG HH21 H 3.199 -3.934 -14.581 1.00 . A A . 8 ARG HH21 1 1 5 705 1 1 8 ARG HH22 H 2.771 -3.725 -16.245 1.00 . A A . 8 ARG HH22 1 1 5 706 1 1 8 ARG N N -2.603 -6.406 -10.554 1.00 . A A . 8 ARG N 1 1 5 707 1 1 8 ARG NE N 0.914 -3.499 -13.642 1.00 . A A . 8 ARG NE 1 1 5 708 1 1 8 ARG NH1 N 0.351 -3.222 -15.855 1.00 . A A . 8 ARG NH1 1 1 5 709 1 1 8 ARG NH2 N 2.513 -3.735 -15.279 1.00 . A A . 8 ARG NH2 1 1 5 710 1 1 8 ARG O O 0.275 -7.044 -10.985 1.00 . A A . 8 ARG O 1 1 6 711 1 1 1 LYS C C 1.729 -1.020 -1.224 1.00 . A A . 1 LYS C 1 1 6 712 1 1 1 LYS CA C 1.784 -0.020 -0.073 1.00 . A A . 1 LYS CA 1 1 6 713 1 1 1 LYS CB C 2.512 1.250 -0.521 1.00 . A A . 1 LYS CB 1 1 6 714 1 1 1 LYS CD C 4.416 1.429 -2.150 1.00 . A A . 1 LYS CD 1 1 6 715 1 1 1 LYS CE C 5.837 0.981 -2.452 1.00 . A A . 1 LYS CE 1 1 6 716 1 1 1 LYS CG C 4.002 1.053 -0.737 1.00 . A A . 1 LYS CG 1 1 6 717 1 1 1 LYS H1 H 3.402 -0.820 1.032 1.00 . A A . 1 LYS H1 1 1 6 718 1 1 1 LYS HA H 0.776 0.236 0.215 1.00 . A A . 1 LYS HA 1 1 6 719 1 1 1 LYS HB2 H 2.077 1.591 -1.449 1.00 . A A . 1 LYS HB2 1 1 6 720 1 1 1 LYS HB3 H 2.376 2.013 0.232 1.00 . A A . 1 LYS HB3 1 1 6 721 1 1 1 LYS HD2 H 3.744 0.955 -2.850 1.00 . A A . 1 LYS HD2 1 1 6 722 1 1 1 LYS HD3 H 4.354 2.502 -2.260 1.00 . A A . 1 LYS HD3 1 1 6 723 1 1 1 LYS HE2 H 6.418 1.842 -2.743 1.00 . A A . 1 LYS HE2 1 1 6 724 1 1 1 LYS HE3 H 6.261 0.546 -1.559 1.00 . A A . 1 LYS HE3 1 1 6 725 1 1 1 LYS HG2 H 4.543 1.674 -0.038 1.00 . A A . 1 LYS HG2 1 1 6 726 1 1 1 LYS HG3 H 4.248 0.015 -0.563 1.00 . A A . 1 LYS HG3 1 1 6 727 1 1 1 LYS HZ1 H 4.950 -0.479 -3.655 1.00 . A A . 1 LYS HZ1 1 1 6 728 1 1 1 LYS HZ2 H 6.588 -0.757 -3.335 1.00 . A A . 1 LYS HZ2 1 1 6 729 1 1 1 LYS HZ3 H 6.134 0.434 -4.446 1.00 . A A . 1 LYS HZ3 1 1 6 730 1 1 1 LYS N N 2.448 -0.600 1.088 1.00 . A A . 1 LYS N 1 1 6 731 1 1 1 LYS NZ N 5.880 -0.026 -3.549 1.00 . A A . 1 LYS NZ 1 1 6 732 1 1 1 LYS O O 1.732 -0.636 -2.394 1.00 . A A . 1 LYS O 1 1 6 733 1 1 2 PHE C C 0.265 -4.057 -1.869 1.00 . A A . 2 PHE C 1 1 6 734 1 1 2 PHE CA C 1.621 -3.358 -1.889 1.00 . A A . 2 PHE CA 1 1 6 735 1 1 2 PHE CB C 2.736 -4.379 -1.652 1.00 . A A . 2 PHE CB 1 1 6 736 1 1 2 PHE CD1 C 4.451 -4.131 -3.467 1.00 . A A . 2 PHE CD1 1 1 6 737 1 1 2 PHE CD2 C 2.973 -6.000 -3.552 1.00 . A A . 2 PHE CD2 1 1 6 738 1 1 2 PHE CE1 C 5.063 -4.559 -4.630 1.00 . A A . 2 PHE CE1 1 1 6 739 1 1 2 PHE CE2 C 3.581 -6.433 -4.715 1.00 . A A . 2 PHE CE2 1 1 6 740 1 1 2 PHE CG C 3.400 -4.846 -2.916 1.00 . A A . 2 PHE CG 1 1 6 741 1 1 2 PHE CZ C 4.629 -5.712 -5.255 1.00 . A A . 2 PHE CZ 1 1 6 742 1 1 2 PHE H H 1.678 -2.547 0.065 1.00 . A A . 2 PHE H 1 1 6 743 1 1 2 PHE HA H 1.762 -2.902 -2.857 1.00 . A A . 2 PHE HA 1 1 6 744 1 1 2 PHE HB2 H 3.494 -3.933 -1.025 1.00 . A A . 2 PHE HB2 1 1 6 745 1 1 2 PHE HB3 H 2.324 -5.242 -1.153 1.00 . A A . 2 PHE HB3 1 1 6 746 1 1 2 PHE HD1 H 4.793 -3.230 -2.980 1.00 . A A . 2 PHE HD1 1 1 6 747 1 1 2 PHE HD2 H 2.154 -6.566 -3.131 1.00 . A A . 2 PHE HD2 1 1 6 748 1 1 2 PHE HE1 H 5.882 -3.993 -5.050 1.00 . A A . 2 PHE HE1 1 1 6 749 1 1 2 PHE HE2 H 3.239 -7.335 -5.201 1.00 . A A . 2 PHE HE2 1 1 6 750 1 1 2 PHE HZ H 5.105 -6.048 -6.164 1.00 . A A . 2 PHE HZ 1 1 6 751 1 1 2 PHE N N 1.678 -2.303 -0.884 1.00 . A A . 2 PHE N 1 1 6 752 1 1 2 PHE O O 0.162 -5.246 -2.166 1.00 . A A . 2 PHE O 1 1 6 753 1 1 3 GLY C C -2.810 -3.837 -2.805 1.00 . A A . 3 GLY C 1 1 6 754 1 1 3 GLY CA C -2.111 -3.872 -1.460 1.00 . A A . 3 GLY CA 1 1 6 755 1 1 3 GLY H H -0.634 -2.365 -1.287 1.00 . A A . 3 GLY H 1 1 6 756 1 1 3 GLY HA2 H -2.045 -4.896 -1.127 1.00 . A A . 3 GLY HA2 1 1 6 757 1 1 3 GLY HA3 H -2.698 -3.310 -0.748 1.00 . A A . 3 GLY HA3 1 1 6 758 1 1 3 GLY N N -0.775 -3.308 -1.514 1.00 . A A . 3 GLY N 1 1 6 759 1 1 3 GLY O O -3.318 -4.855 -3.276 1.00 . A A . 3 GLY O 1 1 6 760 1 1 4 LYS C C -2.606 -3.064 -5.839 1.00 . A A . 4 LYS C 1 1 6 761 1 1 4 LYS CA C -3.480 -2.498 -4.724 1.00 . A A . 4 LYS CA 1 1 6 762 1 1 4 LYS CB C -3.769 -1.018 -4.989 1.00 . A A . 4 LYS CB 1 1 6 763 1 1 4 LYS CD C -2.872 -0.172 -7.178 1.00 . A A . 4 LYS CD 1 1 6 764 1 1 4 LYS CE C -3.097 1.255 -7.654 1.00 . A A . 4 LYS CE 1 1 6 765 1 1 4 LYS CG C -4.087 -0.712 -6.442 1.00 . A A . 4 LYS CG 1 1 6 766 1 1 4 LYS H H -2.415 -1.887 -2.999 1.00 . A A . 4 LYS H 1 1 6 767 1 1 4 LYS HA H -4.413 -3.040 -4.704 1.00 . A A . 4 LYS HA 1 1 6 768 1 1 4 LYS HB2 H -4.611 -0.714 -4.386 1.00 . A A . 4 LYS HB2 1 1 6 769 1 1 4 LYS HB3 H -2.903 -0.438 -4.702 1.00 . A A . 4 LYS HB3 1 1 6 770 1 1 4 LYS HD2 H -2.023 -0.187 -6.511 1.00 . A A . 4 LYS HD2 1 1 6 771 1 1 4 LYS HD3 H -2.672 -0.801 -8.034 1.00 . A A . 4 LYS HD3 1 1 6 772 1 1 4 LYS HE2 H -4.129 1.363 -7.952 1.00 . A A . 4 LYS HE2 1 1 6 773 1 1 4 LYS HE3 H -2.886 1.930 -6.838 1.00 . A A . 4 LYS HE3 1 1 6 774 1 1 4 LYS HG2 H -4.416 -1.618 -6.929 1.00 . A A . 4 LYS HG2 1 1 6 775 1 1 4 LYS HG3 H -4.877 0.026 -6.480 1.00 . A A . 4 LYS HG3 1 1 6 776 1 1 4 LYS HZ1 H -1.465 0.892 -8.907 1.00 . A A . 4 LYS HZ1 1 1 6 777 1 1 4 LYS HZ2 H -1.790 2.534 -8.662 1.00 . A A . 4 LYS HZ2 1 1 6 778 1 1 4 LYS HZ3 H -2.778 1.620 -9.686 1.00 . A A . 4 LYS HZ3 1 1 6 779 1 1 4 LYS N N -2.838 -2.662 -3.425 1.00 . A A . 4 LYS N 1 1 6 780 1 1 4 LYS NZ N -2.221 1.599 -8.808 1.00 . A A . 4 LYS NZ 1 1 6 781 1 1 4 LYS O O -3.106 -3.471 -6.886 1.00 . A A . 4 LYS O 1 1 6 782 1 1 5 ASN C C 0.042 -5.041 -6.261 1.00 . A A . 5 ASN C 1 1 6 783 1 1 5 ASN CA C -0.354 -3.604 -6.589 1.00 . A A . 5 ASN CA 1 1 6 784 1 1 5 ASN CB C 0.893 -2.720 -6.645 1.00 . A A . 5 ASN CB 1 1 6 785 1 1 5 ASN CG C 0.590 -1.325 -7.157 1.00 . A A . 5 ASN CG 1 1 6 786 1 1 5 ASN H H -0.959 -2.748 -4.750 1.00 . A A . 5 ASN H 1 1 6 787 1 1 5 ASN HA H -0.840 -3.589 -7.553 1.00 . A A . 5 ASN HA 1 1 6 788 1 1 5 ASN HB2 H 1.311 -2.635 -5.653 1.00 . A A . 5 ASN HB2 1 1 6 789 1 1 5 ASN HB3 H 1.620 -3.174 -7.300 1.00 . A A . 5 ASN HB3 1 1 6 790 1 1 5 ASN HD21 H 0.760 -0.587 -5.318 1.00 . A A . 5 ASN HD21 1 1 6 791 1 1 5 ASN HD22 H 0.382 0.559 -6.556 1.00 . A A . 5 ASN HD22 1 1 6 792 1 1 5 ASN N N -1.298 -3.087 -5.605 1.00 . A A . 5 ASN N 1 1 6 793 1 1 5 ASN ND2 N 0.576 -0.353 -6.252 1.00 . A A . 5 ASN ND2 1 1 6 794 1 1 5 ASN O O 1.129 -5.495 -6.619 1.00 . A A . 5 ASN O 1 1 6 795 1 1 5 ASN OD1 O 0.371 -1.124 -8.352 1.00 . A A . 5 ASN OD1 1 1 6 796 1 1 6 LYS C C -0.273 -7.985 -6.428 1.00 . A A . 6 LYS C 1 1 6 797 1 1 6 LYS CA C -0.594 -7.138 -5.201 1.00 . A A . 6 LYS CA 1 1 6 798 1 1 6 LYS CB C -1.806 -7.720 -4.470 1.00 . A A . 6 LYS CB 1 1 6 799 1 1 6 LYS CD C -4.316 -7.816 -4.417 1.00 . A A . 6 LYS CD 1 1 6 800 1 1 6 LYS CE C -5.189 -8.989 -4.835 1.00 . A A . 6 LYS CE 1 1 6 801 1 1 6 LYS CG C -3.082 -7.700 -5.295 1.00 . A A . 6 LYS CG 1 1 6 802 1 1 6 LYS H H -1.698 -5.335 -5.320 1.00 . A A . 6 LYS H 1 1 6 803 1 1 6 LYS HA H 0.256 -7.151 -4.537 1.00 . A A . 6 LYS HA 1 1 6 804 1 1 6 LYS HB2 H -1.592 -8.744 -4.201 1.00 . A A . 6 LYS HB2 1 1 6 805 1 1 6 LYS HB3 H -1.977 -7.148 -3.569 1.00 . A A . 6 LYS HB3 1 1 6 806 1 1 6 LYS HD2 H -4.006 -7.960 -3.392 1.00 . A A . 6 LYS HD2 1 1 6 807 1 1 6 LYS HD3 H -4.891 -6.904 -4.496 1.00 . A A . 6 LYS HD3 1 1 6 808 1 1 6 LYS HE2 H -6.225 -8.693 -4.764 1.00 . A A . 6 LYS HE2 1 1 6 809 1 1 6 LYS HE3 H -4.958 -9.246 -5.858 1.00 . A A . 6 LYS HE3 1 1 6 810 1 1 6 LYS HG2 H -3.130 -6.771 -5.844 1.00 . A A . 6 LYS HG2 1 1 6 811 1 1 6 LYS HG3 H -3.064 -8.529 -5.988 1.00 . A A . 6 LYS HG3 1 1 6 812 1 1 6 LYS HZ1 H -4.352 -10.866 -4.459 1.00 . A A . 6 LYS HZ1 1 1 6 813 1 1 6 LYS HZ2 H -5.874 -10.640 -3.755 1.00 . A A . 6 LYS HZ2 1 1 6 814 1 1 6 LYS HZ3 H -4.512 -9.898 -3.080 1.00 . A A . 6 LYS HZ3 1 1 6 815 1 1 6 LYS N N -0.848 -5.752 -5.577 1.00 . A A . 6 LYS N 1 1 6 816 1 1 6 LYS NZ N -4.966 -10.182 -3.972 1.00 . A A . 6 LYS NZ 1 1 6 817 1 1 6 LYS O O 0.577 -8.874 -6.376 1.00 . A A . 6 LYS O 1 1 6 818 1 1 7 SER C C 0.298 -7.747 -9.645 1.00 . A A . 7 SER C 1 1 6 819 1 1 7 SER CA C -0.746 -8.439 -8.773 1.00 . A A . 7 SER CA 1 1 6 820 1 1 7 SER CB C -2.061 -8.574 -9.541 1.00 . A A . 7 SER CB 1 1 6 821 1 1 7 SER H H -1.621 -6.981 -7.511 1.00 . A A . 7 SER H 1 1 6 822 1 1 7 SER HA H -0.386 -9.424 -8.515 1.00 . A A . 7 SER HA 1 1 6 823 1 1 7 SER HB2 H -1.850 -8.718 -10.590 1.00 . A A . 7 SER HB2 1 1 6 824 1 1 7 SER HB3 H -2.610 -9.425 -9.164 1.00 . A A . 7 SER HB3 1 1 6 825 1 1 7 SER HG H -3.539 -7.574 -8.733 1.00 . A A . 7 SER HG 1 1 6 826 1 1 7 SER N N -0.957 -7.702 -7.533 1.00 . A A . 7 SER N 1 1 6 827 1 1 7 SER O O 1.422 -8.228 -9.786 1.00 . A A . 7 SER O 1 1 6 828 1 1 7 SER OG O -2.860 -7.413 -9.392 1.00 . A A . 7 SER OG 1 1 6 829 1 1 8 ARG C C 1.281 -4.579 -10.396 1.00 . A A . 8 ARG C 1 1 6 830 1 1 8 ARG CA C 0.817 -5.857 -11.088 1.00 . A A . 8 ARG CA 1 1 6 831 1 1 8 ARG CB C 0.126 -5.513 -12.408 1.00 . A A . 8 ARG CB 1 1 6 832 1 1 8 ARG CD C -2.080 -4.667 -13.267 1.00 . A A . 8 ARG CD 1 1 6 833 1 1 8 ARG CG C -0.949 -4.447 -12.273 1.00 . A A . 8 ARG CG 1 1 6 834 1 1 8 ARG CZ C -2.557 -4.171 -15.627 1.00 . A A . 8 ARG CZ 1 1 6 835 1 1 8 ARG H H -0.994 -6.283 -10.077 1.00 . A A . 8 ARG H 1 1 6 836 1 1 8 ARG HA H 1.678 -6.475 -11.293 1.00 . A A . 8 ARG HA 1 1 6 837 1 1 8 ARG HB2 H 0.868 -5.157 -13.108 1.00 . A A . 8 ARG HB2 1 1 6 838 1 1 8 ARG HB3 H -0.332 -6.407 -12.805 1.00 . A A . 8 ARG HB3 1 1 6 839 1 1 8 ARG HD2 H -2.356 -5.711 -13.252 1.00 . A A . 8 ARG HD2 1 1 6 840 1 1 8 ARG HD3 H -2.926 -4.066 -12.967 1.00 . A A . 8 ARG HD3 1 1 6 841 1 1 8 ARG HE H -0.742 -4.139 -14.800 1.00 . A A . 8 ARG HE 1 1 6 842 1 1 8 ARG HG2 H -1.354 -4.481 -11.272 1.00 . A A . 8 ARG HG2 1 1 6 843 1 1 8 ARG HG3 H -0.507 -3.478 -12.452 1.00 . A A . 8 ARG HG3 1 1 6 844 1 1 8 ARG HH11 H -4.176 -4.634 -14.511 1.00 . A A . 8 ARG HH11 1 1 6 845 1 1 8 ARG HH12 H -4.499 -4.282 -16.176 1.00 . A A . 8 ARG HH12 1 1 6 846 1 1 8 ARG HH21 H -1.154 -3.673 -16.995 1.00 . A A . 8 ARG HH21 1 1 6 847 1 1 8 ARG HH22 H -2.779 -3.736 -17.588 1.00 . A A . 8 ARG HH22 1 1 6 848 1 1 8 ARG N N -0.084 -6.616 -10.228 1.00 . A A . 8 ARG N 1 1 6 849 1 1 8 ARG NE N -1.693 -4.298 -14.626 1.00 . A A . 8 ARG NE 1 1 6 850 1 1 8 ARG NH1 N -3.850 -4.380 -15.421 1.00 . A A . 8 ARG NH1 1 1 6 851 1 1 8 ARG NH2 N -2.128 -3.832 -16.836 1.00 . A A . 8 ARG NH2 1 1 6 852 1 1 8 ARG O O 2.457 -4.436 -10.060 1.00 . A A . 8 ARG O 1 1 7 853 1 1 1 LYS C C 1.829 -1.169 -2.066 1.00 . A A . 1 LYS C 1 1 7 854 1 1 1 LYS CA C 2.028 -0.203 -0.903 1.00 . A A . 1 LYS CA 1 1 7 855 1 1 1 LYS CB C 2.319 1.201 -1.437 1.00 . A A . 1 LYS CB 1 1 7 856 1 1 1 LYS CD C 4.481 2.242 -2.180 1.00 . A A . 1 LYS CD 1 1 7 857 1 1 1 LYS CE C 5.667 2.110 -3.123 1.00 . A A . 1 LYS CE 1 1 7 858 1 1 1 LYS CG C 3.393 1.234 -2.510 1.00 . A A . 1 LYS CG 1 1 7 859 1 1 1 LYS H1 H 4.040 -0.478 -0.305 1.00 . A A . 1 LYS H1 1 1 7 860 1 1 1 LYS HA H 1.123 -0.175 -0.314 1.00 . A A . 1 LYS HA 1 1 7 861 1 1 1 LYS HB2 H 1.410 1.610 -1.854 1.00 . A A . 1 LYS HB2 1 1 7 862 1 1 1 LYS HB3 H 2.641 1.826 -0.616 1.00 . A A . 1 LYS HB3 1 1 7 863 1 1 1 LYS HD2 H 4.074 3.239 -2.269 1.00 . A A . 1 LYS HD2 1 1 7 864 1 1 1 LYS HD3 H 4.817 2.077 -1.167 1.00 . A A . 1 LYS HD3 1 1 7 865 1 1 1 LYS HE2 H 6.569 2.351 -2.581 1.00 . A A . 1 LYS HE2 1 1 7 866 1 1 1 LYS HE3 H 5.720 1.090 -3.474 1.00 . A A . 1 LYS HE3 1 1 7 867 1 1 1 LYS HG2 H 3.839 0.253 -2.590 1.00 . A A . 1 LYS HG2 1 1 7 868 1 1 1 LYS HG3 H 2.939 1.503 -3.453 1.00 . A A . 1 LYS HG3 1 1 7 869 1 1 1 LYS HZ1 H 5.178 2.501 -5.116 1.00 . A A . 1 LYS HZ1 1 1 7 870 1 1 1 LYS HZ2 H 6.481 3.413 -4.538 1.00 . A A . 1 LYS HZ2 1 1 7 871 1 1 1 LYS HZ3 H 4.903 3.806 -4.074 1.00 . A A . 1 LYS HZ3 1 1 7 872 1 1 1 LYS N N 3.113 -0.648 -0.036 1.00 . A A . 1 LYS N 1 1 7 873 1 1 1 LYS NZ N 5.549 3.021 -4.295 1.00 . A A . 1 LYS NZ 1 1 7 874 1 1 1 LYS O O 1.343 -0.784 -3.130 1.00 . A A . 1 LYS O 1 1 7 875 1 1 2 PHE C C 0.919 -4.400 -2.559 1.00 . A A . 2 PHE C 1 1 7 876 1 1 2 PHE CA C 2.066 -3.449 -2.886 1.00 . A A . 2 PHE CA 1 1 7 877 1 1 2 PHE CB C 3.370 -4.236 -3.032 1.00 . A A . 2 PHE CB 1 1 7 878 1 1 2 PHE CD1 C 3.604 -4.327 -5.529 1.00 . A A . 2 PHE CD1 1 1 7 879 1 1 2 PHE CD2 C 3.430 -6.381 -4.332 1.00 . A A . 2 PHE CD2 1 1 7 880 1 1 2 PHE CE1 C 3.695 -5.025 -6.718 1.00 . A A . 2 PHE CE1 1 1 7 881 1 1 2 PHE CE2 C 3.521 -7.085 -5.518 1.00 . A A . 2 PHE CE2 1 1 7 882 1 1 2 PHE CG C 3.470 -4.997 -4.323 1.00 . A A . 2 PHE CG 1 1 7 883 1 1 2 PHE CZ C 3.655 -6.405 -6.713 1.00 . A A . 2 PHE CZ 1 1 7 884 1 1 2 PHE H H 2.585 -2.673 -0.986 1.00 . A A . 2 PHE H 1 1 7 885 1 1 2 PHE HA H 1.850 -2.950 -3.819 1.00 . A A . 2 PHE HA 1 1 7 886 1 1 2 PHE HB2 H 4.203 -3.550 -2.987 1.00 . A A . 2 PHE HB2 1 1 7 887 1 1 2 PHE HB3 H 3.447 -4.944 -2.221 1.00 . A A . 2 PHE HB3 1 1 7 888 1 1 2 PHE HD1 H 3.637 -3.247 -5.535 1.00 . A A . 2 PHE HD1 1 1 7 889 1 1 2 PHE HD2 H 3.326 -6.914 -3.397 1.00 . A A . 2 PHE HD2 1 1 7 890 1 1 2 PHE HE1 H 3.800 -4.491 -7.651 1.00 . A A . 2 PHE HE1 1 1 7 891 1 1 2 PHE HE2 H 3.490 -8.164 -5.510 1.00 . A A . 2 PHE HE2 1 1 7 892 1 1 2 PHE HZ H 3.726 -6.953 -7.641 1.00 . A A . 2 PHE HZ 1 1 7 893 1 1 2 PHE N N 2.205 -2.427 -1.855 1.00 . A A . 2 PHE N 1 1 7 894 1 1 2 PHE O O 0.928 -5.562 -2.961 1.00 . A A . 2 PHE O 1 1 7 895 1 1 3 GLY C C -2.379 -4.539 -2.404 1.00 . A A . 3 GLY C 1 1 7 896 1 1 3 GLY CA C -1.210 -4.713 -1.456 1.00 . A A . 3 GLY CA 1 1 7 897 1 1 3 GLY H H -0.023 -2.961 -1.534 1.00 . A A . 3 GLY H 1 1 7 898 1 1 3 GLY HA2 H -0.911 -5.750 -1.456 1.00 . A A . 3 GLY HA2 1 1 7 899 1 1 3 GLY HA3 H -1.526 -4.439 -0.459 1.00 . A A . 3 GLY HA3 1 1 7 900 1 1 3 GLY N N -0.069 -3.895 -1.826 1.00 . A A . 3 GLY N 1 1 7 901 1 1 3 GLY O O -3.045 -5.509 -2.765 1.00 . A A . 3 GLY O 1 1 7 902 1 1 4 LYS C C -3.371 -3.390 -5.150 1.00 . A A . 4 LYS C 1 1 7 903 1 1 4 LYS CA C -3.730 -2.999 -3.719 1.00 . A A . 4 LYS CA 1 1 7 904 1 1 4 LYS CB C -4.080 -1.511 -3.659 1.00 . A A . 4 LYS CB 1 1 7 905 1 1 4 LYS CD C -4.102 -0.368 -5.895 1.00 . A A . 4 LYS CD 1 1 7 906 1 1 4 LYS CE C -4.472 1.098 -6.056 1.00 . A A . 4 LYS CE 1 1 7 907 1 1 4 LYS CG C -4.938 -1.039 -4.819 1.00 . A A . 4 LYS CG 1 1 7 908 1 1 4 LYS H H -2.066 -2.566 -2.485 1.00 . A A . 4 LYS H 1 1 7 909 1 1 4 LYS HA H -4.588 -3.575 -3.406 1.00 . A A . 4 LYS HA 1 1 7 910 1 1 4 LYS HB2 H -4.614 -1.316 -2.740 1.00 . A A . 4 LYS HB2 1 1 7 911 1 1 4 LYS HB3 H -3.163 -0.938 -3.660 1.00 . A A . 4 LYS HB3 1 1 7 912 1 1 4 LYS HD2 H -3.059 -0.436 -5.624 1.00 . A A . 4 LYS HD2 1 1 7 913 1 1 4 LYS HD3 H -4.265 -0.876 -6.835 1.00 . A A . 4 LYS HD3 1 1 7 914 1 1 4 LYS HE2 H -4.663 1.517 -5.079 1.00 . A A . 4 LYS HE2 1 1 7 915 1 1 4 LYS HE3 H -3.643 1.617 -6.514 1.00 . A A . 4 LYS HE3 1 1 7 916 1 1 4 LYS HG2 H -5.444 -1.891 -5.250 1.00 . A A . 4 LYS HG2 1 1 7 917 1 1 4 LYS HG3 H -5.669 -0.333 -4.451 1.00 . A A . 4 LYS HG3 1 1 7 918 1 1 4 LYS HZ1 H -6.420 1.784 -6.374 1.00 . A A . 4 LYS HZ1 1 1 7 919 1 1 4 LYS HZ2 H -6.057 0.348 -7.191 1.00 . A A . 4 LYS HZ2 1 1 7 920 1 1 4 LYS HZ3 H -5.446 1.820 -7.757 1.00 . A A . 4 LYS HZ3 1 1 7 921 1 1 4 LYS N N -2.633 -3.299 -2.808 1.00 . A A . 4 LYS N 1 1 7 922 1 1 4 LYS NZ N -5.684 1.275 -6.904 1.00 . A A . 4 LYS NZ 1 1 7 923 1 1 4 LYS O O -4.248 -3.683 -5.961 1.00 . A A . 4 LYS O 1 1 7 924 1 1 5 ASN C C -0.808 -5.051 -6.748 1.00 . A A . 5 ASN C 1 1 7 925 1 1 5 ASN CA C -1.603 -3.748 -6.783 1.00 . A A . 5 ASN CA 1 1 7 926 1 1 5 ASN CB C -0.736 -2.625 -7.356 1.00 . A A . 5 ASN CB 1 1 7 927 1 1 5 ASN CG C -0.946 -2.435 -8.846 1.00 . A A . 5 ASN CG 1 1 7 928 1 1 5 ASN H H -1.425 -3.149 -4.760 1.00 . A A . 5 ASN H 1 1 7 929 1 1 5 ASN HA H -2.466 -3.884 -7.417 1.00 . A A . 5 ASN HA 1 1 7 930 1 1 5 ASN HB2 H -0.983 -1.699 -6.856 1.00 . A A . 5 ASN HB2 1 1 7 931 1 1 5 ASN HB3 H 0.304 -2.856 -7.183 1.00 . A A . 5 ASN HB3 1 1 7 932 1 1 5 ASN HD21 H 0.995 -2.089 -9.100 1.00 . A A . 5 ASN HD21 1 1 7 933 1 1 5 ASN HD22 H 0.028 -2.028 -10.530 1.00 . A A . 5 ASN HD22 1 1 7 934 1 1 5 ASN N N -2.077 -3.393 -5.450 1.00 . A A . 5 ASN N 1 1 7 935 1 1 5 ASN ND2 N 0.135 -2.156 -9.564 1.00 . A A . 5 ASN ND2 1 1 7 936 1 1 5 ASN O O 0.098 -5.260 -7.554 1.00 . A A . 5 ASN O 1 1 7 937 1 1 5 ASN OD1 O -2.067 -2.539 -9.344 1.00 . A A . 5 ASN OD1 1 1 7 938 1 1 6 LYS C C -0.736 -8.095 -6.880 1.00 . A A . 6 LYS C 1 1 7 939 1 1 6 LYS CA C -0.477 -7.207 -5.667 1.00 . A A . 6 LYS CA 1 1 7 940 1 1 6 LYS CB C -0.943 -7.916 -4.394 1.00 . A A . 6 LYS CB 1 1 7 941 1 1 6 LYS CD C -2.871 -8.900 -3.119 1.00 . A A . 6 LYS CD 1 1 7 942 1 1 6 LYS CE C -4.243 -9.547 -3.224 1.00 . A A . 6 LYS CE 1 1 7 943 1 1 6 LYS CG C -2.363 -8.446 -4.478 1.00 . A A . 6 LYS CG 1 1 7 944 1 1 6 LYS H H -1.886 -5.700 -5.194 1.00 . A A . 6 LYS H 1 1 7 945 1 1 6 LYS HA H 0.583 -7.016 -5.596 1.00 . A A . 6 LYS HA 1 1 7 946 1 1 6 LYS HB2 H -0.281 -8.747 -4.197 1.00 . A A . 6 LYS HB2 1 1 7 947 1 1 6 LYS HB3 H -0.889 -7.220 -3.569 1.00 . A A . 6 LYS HB3 1 1 7 948 1 1 6 LYS HD2 H -2.177 -9.618 -2.707 1.00 . A A . 6 LYS HD2 1 1 7 949 1 1 6 LYS HD3 H -2.936 -8.042 -2.464 1.00 . A A . 6 LYS HD3 1 1 7 950 1 1 6 LYS HE2 H -4.185 -10.373 -3.915 1.00 . A A . 6 LYS HE2 1 1 7 951 1 1 6 LYS HE3 H -4.529 -9.913 -2.249 1.00 . A A . 6 LYS HE3 1 1 7 952 1 1 6 LYS HG2 H -3.009 -7.664 -4.848 1.00 . A A . 6 LYS HG2 1 1 7 953 1 1 6 LYS HG3 H -2.385 -9.286 -5.158 1.00 . A A . 6 LYS HG3 1 1 7 954 1 1 6 LYS HZ1 H -5.275 -7.734 -3.106 1.00 . A A . 6 LYS HZ1 1 1 7 955 1 1 6 LYS HZ2 H -6.217 -9.024 -3.664 1.00 . A A . 6 LYS HZ2 1 1 7 956 1 1 6 LYS HZ3 H -5.075 -8.308 -4.685 1.00 . A A . 6 LYS HZ3 1 1 7 957 1 1 6 LYS N N -1.155 -5.924 -5.808 1.00 . A A . 6 LYS N 1 1 7 958 1 1 6 LYS NZ N -5.274 -8.585 -3.703 1.00 . A A . 6 LYS NZ 1 1 7 959 1 1 6 LYS O O 0.088 -8.939 -7.231 1.00 . A A . 6 LYS O 1 1 7 960 1 1 7 SER C C -1.228 -8.506 -9.806 1.00 . A A . 7 SER C 1 1 7 961 1 1 7 SER CA C -2.254 -8.682 -8.690 1.00 . A A . 7 SER CA 1 1 7 962 1 1 7 SER CB C -3.641 -8.274 -9.189 1.00 . A A . 7 SER CB 1 1 7 963 1 1 7 SER H H -2.502 -7.209 -7.190 1.00 . A A . 7 SER H 1 1 7 964 1 1 7 SER HA H -2.277 -9.722 -8.400 1.00 . A A . 7 SER HA 1 1 7 965 1 1 7 SER HB2 H -3.858 -7.269 -8.860 1.00 . A A . 7 SER HB2 1 1 7 966 1 1 7 SER HB3 H -3.658 -8.311 -10.268 1.00 . A A . 7 SER HB3 1 1 7 967 1 1 7 SER HG H -4.593 -9.985 -9.146 1.00 . A A . 7 SER HG 1 1 7 968 1 1 7 SER N N -1.886 -7.897 -7.518 1.00 . A A . 7 SER N 1 1 7 969 1 1 7 SER O O -0.772 -9.480 -10.404 1.00 . A A . 7 SER O 1 1 7 970 1 1 7 SER OG O -4.640 -9.144 -8.686 1.00 . A A . 7 SER OG 1 1 7 971 1 1 8 ARG C C 1.474 -7.512 -10.771 1.00 . A A . 8 ARG C 1 1 7 972 1 1 8 ARG CA C 0.100 -6.950 -11.125 1.00 . A A . 8 ARG CA 1 1 7 973 1 1 8 ARG CB C 0.194 -5.438 -11.336 1.00 . A A . 8 ARG CB 1 1 7 974 1 1 8 ARG CD C -0.391 -4.065 -13.358 1.00 . A A . 8 ARG CD 1 1 7 975 1 1 8 ARG CG C 0.599 -5.045 -12.748 1.00 . A A . 8 ARG CG 1 1 7 976 1 1 8 ARG CZ C 1.001 -2.104 -13.871 1.00 . A A . 8 ARG CZ 1 1 7 977 1 1 8 ARG H H -1.270 -6.521 -9.569 1.00 . A A . 8 ARG H 1 1 7 978 1 1 8 ARG HA H -0.240 -7.412 -12.039 1.00 . A A . 8 ARG HA 1 1 7 979 1 1 8 ARG HB2 H -0.768 -4.996 -11.125 1.00 . A A . 8 ARG HB2 1 1 7 980 1 1 8 ARG HB3 H 0.924 -5.036 -10.650 1.00 . A A . 8 ARG HB3 1 1 7 981 1 1 8 ARG HD2 H -0.472 -4.268 -14.416 1.00 . A A . 8 ARG HD2 1 1 7 982 1 1 8 ARG HD3 H -1.353 -4.208 -12.890 1.00 . A A . 8 ARG HD3 1 1 7 983 1 1 8 ARG HE H -0.443 -2.149 -12.495 1.00 . A A . 8 ARG HE 1 1 7 984 1 1 8 ARG HG2 H 1.574 -4.581 -12.717 1.00 . A A . 8 ARG HG2 1 1 7 985 1 1 8 ARG HG3 H 0.639 -5.932 -13.361 1.00 . A A . 8 ARG HG3 1 1 7 986 1 1 8 ARG HH11 H 1.413 -3.749 -14.968 1.00 . A A . 8 ARG HH11 1 1 7 987 1 1 8 ARG HH12 H 2.387 -2.360 -15.320 1.00 . A A . 8 ARG HH12 1 1 7 988 1 1 8 ARG HH21 H 0.833 -0.313 -12.948 1.00 . A A . 8 ARG HH21 1 1 7 989 1 1 8 ARG HH22 H 2.056 -0.406 -14.169 1.00 . A A . 8 ARG HH22 1 1 7 990 1 1 8 ARG N N -0.871 -7.256 -10.081 1.00 . A A . 8 ARG N 1 1 7 991 1 1 8 ARG NE N 0.027 -2.678 -13.173 1.00 . A A . 8 ARG NE 1 1 7 992 1 1 8 ARG NH1 N 1.654 -2.795 -14.795 1.00 . A A . 8 ARG NH1 1 1 7 993 1 1 8 ARG NH2 N 1.323 -0.837 -13.644 1.00 . A A . 8 ARG NH2 1 1 7 994 1 1 8 ARG O O 1.739 -8.698 -10.967 1.00 . A A . 8 ARG O 1 1 8 995 1 1 1 LYS C C 1.639 -1.177 -1.879 1.00 . A A . 1 LYS C 1 1 8 996 1 1 1 LYS CA C 0.979 0.108 -1.389 1.00 . A A . 1 LYS CA 1 1 8 997 1 1 1 LYS CB C 1.937 1.288 -1.571 1.00 . A A . 1 LYS CB 1 1 8 998 1 1 1 LYS CD C 2.982 2.510 0.359 1.00 . A A . 1 LYS CD 1 1 8 999 1 1 1 LYS CE C 3.795 3.682 -0.168 1.00 . A A . 1 LYS CE 1 1 8 1000 1 1 1 LYS CG C 3.075 1.307 -0.565 1.00 . A A . 1 LYS CG 1 1 8 1001 1 1 1 LYS H1 H 1.193 -0.443 0.643 1.00 . A A . 1 LYS H1 1 1 8 1002 1 1 1 LYS HA H 0.088 0.287 -1.973 1.00 . A A . 1 LYS HA 1 1 8 1003 1 1 1 LYS HB2 H 2.362 1.242 -2.563 1.00 . A A . 1 LYS HB2 1 1 8 1004 1 1 1 LYS HB3 H 1.380 2.208 -1.470 1.00 . A A . 1 LYS HB3 1 1 8 1005 1 1 1 LYS HD2 H 1.948 2.811 0.441 1.00 . A A . 1 LYS HD2 1 1 8 1006 1 1 1 LYS HD3 H 3.356 2.233 1.335 1.00 . A A . 1 LYS HD3 1 1 8 1007 1 1 1 LYS HE2 H 3.703 3.712 -1.243 1.00 . A A . 1 LYS HE2 1 1 8 1008 1 1 1 LYS HE3 H 3.400 4.595 0.252 1.00 . A A . 1 LYS HE3 1 1 8 1009 1 1 1 LYS HG2 H 3.033 0.406 0.030 1.00 . A A . 1 LYS HG2 1 1 8 1010 1 1 1 LYS HG3 H 4.014 1.346 -1.098 1.00 . A A . 1 LYS HG3 1 1 8 1011 1 1 1 LYS HZ1 H 5.545 4.416 0.704 1.00 . A A . 1 LYS HZ1 1 1 8 1012 1 1 1 LYS HZ2 H 5.811 3.462 -0.668 1.00 . A A . 1 LYS HZ2 1 1 8 1013 1 1 1 LYS HZ3 H 5.385 2.734 0.799 1.00 . A A . 1 LYS HZ3 1 1 8 1014 1 1 1 LYS N N 0.583 -0.011 0.009 1.00 . A A . 1 LYS N 1 1 8 1015 1 1 1 LYS NZ N 5.235 3.565 0.192 1.00 . A A . 1 LYS NZ 1 1 8 1016 1 1 1 LYS O O 2.462 -1.154 -2.795 1.00 . A A . 1 LYS O 1 1 8 1017 1 1 2 PHE C C 0.851 -4.370 -2.516 1.00 . A A . 2 PHE C 1 1 8 1018 1 1 2 PHE CA C 1.828 -3.591 -1.639 1.00 . A A . 2 PHE CA 1 1 8 1019 1 1 2 PHE CB C 2.168 -4.405 -0.389 1.00 . A A . 2 PHE CB 1 1 8 1020 1 1 2 PHE CD1 C 4.612 -3.842 -0.306 1.00 . A A . 2 PHE CD1 1 1 8 1021 1 1 2 PHE CD2 C 3.975 -6.139 -0.233 1.00 . A A . 2 PHE CD2 1 1 8 1022 1 1 2 PHE CE1 C 5.943 -4.206 -0.233 1.00 . A A . 2 PHE CE1 1 1 8 1023 1 1 2 PHE CE2 C 5.304 -6.509 -0.159 1.00 . A A . 2 PHE CE2 1 1 8 1024 1 1 2 PHE CG C 3.614 -4.803 -0.308 1.00 . A A . 2 PHE CG 1 1 8 1025 1 1 2 PHE CZ C 6.290 -5.541 -0.157 1.00 . A A . 2 PHE CZ 1 1 8 1026 1 1 2 PHE H H 0.611 -2.250 -0.542 1.00 . A A . 2 PHE H 1 1 8 1027 1 1 2 PHE HA H 2.732 -3.413 -2.200 1.00 . A A . 2 PHE HA 1 1 8 1028 1 1 2 PHE HB2 H 1.936 -3.818 0.487 1.00 . A A . 2 PHE HB2 1 1 8 1029 1 1 2 PHE HB3 H 1.573 -5.306 -0.382 1.00 . A A . 2 PHE HB3 1 1 8 1030 1 1 2 PHE HD1 H 4.342 -2.798 -0.364 1.00 . A A . 2 PHE HD1 1 1 8 1031 1 1 2 PHE HD2 H 3.204 -6.897 -0.233 1.00 . A A . 2 PHE HD2 1 1 8 1032 1 1 2 PHE HE1 H 6.711 -3.447 -0.232 1.00 . A A . 2 PHE HE1 1 1 8 1033 1 1 2 PHE HE2 H 5.572 -7.553 -0.100 1.00 . A A . 2 PHE HE2 1 1 8 1034 1 1 2 PHE HZ H 7.329 -5.828 -0.100 1.00 . A A . 2 PHE HZ 1 1 8 1035 1 1 2 PHE N N 1.271 -2.296 -1.265 1.00 . A A . 2 PHE N 1 1 8 1036 1 1 2 PHE O O 1.257 -5.172 -3.355 1.00 . A A . 2 PHE O 1 1 8 1037 1 1 3 GLY C C -2.143 -3.895 -4.085 1.00 . A A . 3 GLY C 1 1 8 1038 1 1 3 GLY CA C -1.455 -4.812 -3.092 1.00 . A A . 3 GLY CA 1 1 8 1039 1 1 3 GLY H H -0.706 -3.475 -1.631 1.00 . A A . 3 GLY H 1 1 8 1040 1 1 3 GLY HA2 H -0.992 -5.625 -3.630 1.00 . A A . 3 GLY HA2 1 1 8 1041 1 1 3 GLY HA3 H -2.198 -5.215 -2.419 1.00 . A A . 3 GLY HA3 1 1 8 1042 1 1 3 GLY N N -0.440 -4.126 -2.314 1.00 . A A . 3 GLY N 1 1 8 1043 1 1 3 GLY O O -3.323 -4.069 -4.389 1.00 . A A . 3 GLY O 1 1 8 1044 1 1 4 LYS C C -2.055 -2.596 -6.939 1.00 . A A . 4 LYS C 1 1 8 1045 1 1 4 LYS CA C -1.948 -1.965 -5.555 1.00 . A A . 4 LYS CA 1 1 8 1046 1 1 4 LYS CB C -1.070 -0.713 -5.621 1.00 . A A . 4 LYS CB 1 1 8 1047 1 1 4 LYS CD C -0.321 -0.103 -7.939 1.00 . A A . 4 LYS CD 1 1 8 1048 1 1 4 LYS CE C 0.518 1.133 -8.224 1.00 . A A . 4 LYS CE 1 1 8 1049 1 1 4 LYS CG C -1.337 0.154 -6.839 1.00 . A A . 4 LYS CG 1 1 8 1050 1 1 4 LYS H H -0.468 -2.826 -4.310 1.00 . A A . 4 LYS H 1 1 8 1051 1 1 4 LYS HA H -2.936 -1.684 -5.223 1.00 . A A . 4 LYS HA 1 1 8 1052 1 1 4 LYS HB2 H -1.246 -0.118 -4.736 1.00 . A A . 4 LYS HB2 1 1 8 1053 1 1 4 LYS HB3 H -0.033 -1.016 -5.640 1.00 . A A . 4 LYS HB3 1 1 8 1054 1 1 4 LYS HD2 H 0.333 -0.905 -7.633 1.00 . A A . 4 LYS HD2 1 1 8 1055 1 1 4 LYS HD3 H -0.845 -0.388 -8.841 1.00 . A A . 4 LYS HD3 1 1 8 1056 1 1 4 LYS HE2 H -0.044 2.008 -7.932 1.00 . A A . 4 LYS HE2 1 1 8 1057 1 1 4 LYS HE3 H 1.425 1.078 -7.641 1.00 . A A . 4 LYS HE3 1 1 8 1058 1 1 4 LYS HG2 H -2.324 -0.066 -7.217 1.00 . A A . 4 LYS HG2 1 1 8 1059 1 1 4 LYS HG3 H -1.284 1.194 -6.548 1.00 . A A . 4 LYS HG3 1 1 8 1060 1 1 4 LYS HZ1 H 1.286 0.350 -10.001 1.00 . A A . 4 LYS HZ1 1 1 8 1061 1 1 4 LYS HZ2 H 1.564 2.008 -9.806 1.00 . A A . 4 LYS HZ2 1 1 8 1062 1 1 4 LYS HZ3 H 0.023 1.453 -10.228 1.00 . A A . 4 LYS HZ3 1 1 8 1063 1 1 4 LYS N N -1.404 -2.914 -4.591 1.00 . A A . 4 LYS N 1 1 8 1064 1 1 4 LYS NZ N 0.873 1.243 -9.666 1.00 . A A . 4 LYS NZ 1 1 8 1065 1 1 4 LYS O O -2.890 -2.198 -7.751 1.00 . A A . 4 LYS O 1 1 8 1066 1 1 5 ASN C C -1.635 -5.728 -8.326 1.00 . A A . 5 ASN C 1 1 8 1067 1 1 5 ASN CA C -1.207 -4.272 -8.487 1.00 . A A . 5 ASN CA 1 1 8 1068 1 1 5 ASN CB C 0.182 -4.205 -9.125 1.00 . A A . 5 ASN CB 1 1 8 1069 1 1 5 ASN CG C 1.266 -4.736 -8.208 1.00 . A A . 5 ASN CG 1 1 8 1070 1 1 5 ASN H H -0.564 -3.858 -6.514 1.00 . A A . 5 ASN H 1 1 8 1071 1 1 5 ASN HA H -1.913 -3.770 -9.131 1.00 . A A . 5 ASN HA 1 1 8 1072 1 1 5 ASN HB2 H 0.184 -4.794 -10.031 1.00 . A A . 5 ASN HB2 1 1 8 1073 1 1 5 ASN HB3 H 0.412 -3.179 -9.368 1.00 . A A . 5 ASN HB3 1 1 8 1074 1 1 5 ASN HD21 H 2.357 -3.101 -8.508 1.00 . A A . 5 ASN HD21 1 1 8 1075 1 1 5 ASN HD22 H 3.047 -4.280 -7.450 1.00 . A A . 5 ASN HD22 1 1 8 1076 1 1 5 ASN N N -1.206 -3.585 -7.201 1.00 . A A . 5 ASN N 1 1 8 1077 1 1 5 ASN ND2 N 2.331 -3.960 -8.038 1.00 . A A . 5 ASN ND2 1 1 8 1078 1 1 5 ASN O O -1.263 -6.588 -9.124 1.00 . A A . 5 ASN O 1 1 8 1079 1 1 5 ASN OD1 O 1.148 -5.831 -7.657 1.00 . A A . 5 ASN OD1 1 1 8 1080 1 1 6 LYS C C -4.301 -7.547 -7.594 1.00 . A A . 6 LYS C 1 1 8 1081 1 1 6 LYS CA C -2.902 -7.346 -7.022 1.00 . A A . 6 LYS CA 1 1 8 1082 1 1 6 LYS CB C -2.911 -7.619 -5.516 1.00 . A A . 6 LYS CB 1 1 8 1083 1 1 6 LYS CD C -0.886 -8.514 -4.330 1.00 . A A . 6 LYS CD 1 1 8 1084 1 1 6 LYS CE C -0.461 -9.658 -3.422 1.00 . A A . 6 LYS CE 1 1 8 1085 1 1 6 LYS CG C -2.137 -8.863 -5.118 1.00 . A A . 6 LYS CG 1 1 8 1086 1 1 6 LYS H H -2.683 -5.267 -6.687 1.00 . A A . 6 LYS H 1 1 8 1087 1 1 6 LYS HA H -2.227 -8.040 -7.500 1.00 . A A . 6 LYS HA 1 1 8 1088 1 1 6 LYS HB2 H -2.476 -6.771 -5.006 1.00 . A A . 6 LYS HB2 1 1 8 1089 1 1 6 LYS HB3 H -3.934 -7.737 -5.190 1.00 . A A . 6 LYS HB3 1 1 8 1090 1 1 6 LYS HD2 H -0.083 -8.302 -5.021 1.00 . A A . 6 LYS HD2 1 1 8 1091 1 1 6 LYS HD3 H -1.083 -7.640 -3.726 1.00 . A A . 6 LYS HD3 1 1 8 1092 1 1 6 LYS HE2 H -0.393 -9.290 -2.410 1.00 . A A . 6 LYS HE2 1 1 8 1093 1 1 6 LYS HE3 H -1.209 -10.436 -3.472 1.00 . A A . 6 LYS HE3 1 1 8 1094 1 1 6 LYS HG2 H -2.770 -9.490 -4.508 1.00 . A A . 6 LYS HG2 1 1 8 1095 1 1 6 LYS HG3 H -1.851 -9.399 -6.012 1.00 . A A . 6 LYS HG3 1 1 8 1096 1 1 6 LYS HZ1 H 0.919 -11.222 -3.534 1.00 . A A . 6 LYS HZ1 1 1 8 1097 1 1 6 LYS HZ2 H 1.626 -9.694 -3.366 1.00 . A A . 6 LYS HZ2 1 1 8 1098 1 1 6 LYS HZ3 H 0.973 -10.164 -4.853 1.00 . A A . 6 LYS HZ3 1 1 8 1099 1 1 6 LYS N N -2.420 -5.996 -7.288 1.00 . A A . 6 LYS N 1 1 8 1100 1 1 6 LYS NZ N 0.856 -10.225 -3.822 1.00 . A A . 6 LYS NZ 1 1 8 1101 1 1 6 LYS O O -5.069 -8.376 -7.104 1.00 . A A . 6 LYS O 1 1 8 1102 1 1 7 SER C C -5.846 -7.654 -10.582 1.00 . A A . 7 SER C 1 1 8 1103 1 1 7 SER CA C -5.934 -6.879 -9.271 1.00 . A A . 7 SER CA 1 1 8 1104 1 1 7 SER CB C -6.500 -5.481 -9.529 1.00 . A A . 7 SER CB 1 1 8 1105 1 1 7 SER H H -3.970 -6.143 -8.978 1.00 . A A . 7 SER H 1 1 8 1106 1 1 7 SER HA H -6.594 -7.406 -8.598 1.00 . A A . 7 SER HA 1 1 8 1107 1 1 7 SER HB2 H -7.062 -5.488 -10.450 1.00 . A A . 7 SER HB2 1 1 8 1108 1 1 7 SER HB3 H -7.150 -5.203 -8.712 1.00 . A A . 7 SER HB3 1 1 8 1109 1 1 7 SER HG H -5.710 -3.850 -10.273 1.00 . A A . 7 SER HG 1 1 8 1110 1 1 7 SER N N -4.626 -6.785 -8.633 1.00 . A A . 7 SER N 1 1 8 1111 1 1 7 SER O O -6.771 -8.377 -10.952 1.00 . A A . 7 SER O 1 1 8 1112 1 1 7 SER OG O -5.462 -4.522 -9.634 1.00 . A A . 7 SER OG 1 1 8 1113 1 1 8 ARG C C -4.163 -9.649 -12.326 1.00 . A A . 8 ARG C 1 1 8 1114 1 1 8 ARG CA C -4.515 -8.181 -12.550 1.00 . A A . 8 ARG CA 1 1 8 1115 1 1 8 ARG CB C -3.404 -7.495 -13.346 1.00 . A A . 8 ARG CB 1 1 8 1116 1 1 8 ARG CD C -2.606 -5.325 -14.333 1.00 . A A . 8 ARG CD 1 1 8 1117 1 1 8 ARG CG C -3.816 -6.158 -13.940 1.00 . A A . 8 ARG CG 1 1 8 1118 1 1 8 ARG CZ C -2.074 -2.985 -14.866 1.00 . A A . 8 ARG CZ 1 1 8 1119 1 1 8 ARG H H -4.024 -6.908 -10.933 1.00 . A A . 8 ARG H 1 1 8 1120 1 1 8 ARG HA H -5.435 -8.126 -13.113 1.00 . A A . 8 ARG HA 1 1 8 1121 1 1 8 ARG HB2 H -2.560 -7.328 -12.692 1.00 . A A . 8 ARG HB2 1 1 8 1122 1 1 8 ARG HB3 H -3.101 -8.145 -14.153 1.00 . A A . 8 ARG HB3 1 1 8 1123 1 1 8 ARG HD2 H -1.834 -5.464 -13.591 1.00 . A A . 8 ARG HD2 1 1 8 1124 1 1 8 ARG HD3 H -2.248 -5.667 -15.293 1.00 . A A . 8 ARG HD3 1 1 8 1125 1 1 8 ARG HE H -3.820 -3.620 -14.141 1.00 . A A . 8 ARG HE 1 1 8 1126 1 1 8 ARG HG2 H -4.418 -6.336 -14.819 1.00 . A A . 8 ARG HG2 1 1 8 1127 1 1 8 ARG HG3 H -4.395 -5.613 -13.209 1.00 . A A . 8 ARG HG3 1 1 8 1128 1 1 8 ARG HH11 H -0.580 -4.298 -15.218 1.00 . A A . 8 ARG HH11 1 1 8 1129 1 1 8 ARG HH12 H -0.218 -2.645 -15.590 1.00 . A A . 8 ARG HH12 1 1 8 1130 1 1 8 ARG HH21 H -3.356 -1.440 -14.626 1.00 . A A . 8 ARG HH21 1 1 8 1131 1 1 8 ARG HH22 H -1.797 -1.020 -15.252 1.00 . A A . 8 ARG HH22 1 1 8 1132 1 1 8 ARG N N -4.726 -7.498 -11.280 1.00 . A A . 8 ARG N 1 1 8 1133 1 1 8 ARG NE N -2.926 -3.903 -14.424 1.00 . A A . 8 ARG NE 1 1 8 1134 1 1 8 ARG NH1 N -0.857 -3.338 -15.256 1.00 . A A . 8 ARG NH1 1 1 8 1135 1 1 8 ARG NH2 N -2.439 -1.711 -14.919 1.00 . A A . 8 ARG NH2 1 1 8 1136 1 1 8 ARG O O -3.642 -10.019 -11.274 1.00 . A A . 8 ARG O 1 1 9 1137 1 1 1 LYS C C 1.127 -1.056 -1.197 1.00 . A A . 1 LYS C 1 1 9 1138 1 1 1 LYS CA C 0.504 -0.507 0.082 1.00 . A A . 1 LYS CA 1 1 9 1139 1 1 1 LYS CB C 1.156 0.828 0.448 1.00 . A A . 1 LYS CB 1 1 9 1140 1 1 1 LYS CD C 3.262 1.925 1.267 1.00 . A A . 1 LYS CD 1 1 9 1141 1 1 1 LYS CE C 4.719 1.667 1.619 1.00 . A A . 1 LYS CE 1 1 9 1142 1 1 1 LYS CG C 2.674 0.781 0.458 1.00 . A A . 1 LYS CG 1 1 9 1143 1 1 1 LYS H1 H 1.542 -1.767 1.429 1.00 . A A . 1 LYS H1 1 1 9 1144 1 1 1 LYS HA H -0.551 -0.349 -0.085 1.00 . A A . 1 LYS HA 1 1 9 1145 1 1 1 LYS HB2 H 0.844 1.575 -0.267 1.00 . A A . 1 LYS HB2 1 1 9 1146 1 1 1 LYS HB3 H 0.819 1.122 1.432 1.00 . A A . 1 LYS HB3 1 1 9 1147 1 1 1 LYS HD2 H 3.199 2.834 0.689 1.00 . A A . 1 LYS HD2 1 1 9 1148 1 1 1 LYS HD3 H 2.694 2.037 2.181 1.00 . A A . 1 LYS HD3 1 1 9 1149 1 1 1 LYS HE2 H 5.212 1.235 0.762 1.00 . A A . 1 LYS HE2 1 1 9 1150 1 1 1 LYS HE3 H 5.188 2.608 1.867 1.00 . A A . 1 LYS HE3 1 1 9 1151 1 1 1 LYS HG2 H 2.993 -0.154 0.893 1.00 . A A . 1 LYS HG2 1 1 9 1152 1 1 1 LYS HG3 H 3.034 0.849 -0.559 1.00 . A A . 1 LYS HG3 1 1 9 1153 1 1 1 LYS HZ1 H 5.850 0.678 3.071 1.00 . A A . 1 LYS HZ1 1 1 9 1154 1 1 1 LYS HZ2 H 4.523 -0.211 2.512 1.00 . A A . 1 LYS HZ2 1 1 9 1155 1 1 1 LYS HZ3 H 4.287 1.082 3.577 1.00 . A A . 1 LYS HZ3 1 1 9 1156 1 1 1 LYS N N 0.646 -1.457 1.179 1.00 . A A . 1 LYS N 1 1 9 1157 1 1 1 LYS NZ N 4.855 0.739 2.776 1.00 . A A . 1 LYS NZ 1 1 9 1158 1 1 1 LYS O O 1.571 -0.296 -2.059 1.00 . A A . 1 LYS O 1 1 9 1159 1 1 2 PHE C C 0.670 -3.857 -3.218 1.00 . A A . 2 PHE C 1 1 9 1160 1 1 2 PHE CA C 1.725 -3.029 -2.490 1.00 . A A . 2 PHE CA 1 1 9 1161 1 1 2 PHE CB C 2.901 -3.921 -2.087 1.00 . A A . 2 PHE CB 1 1 9 1162 1 1 2 PHE CD1 C 4.648 -2.164 -1.691 1.00 . A A . 2 PHE CD1 1 1 9 1163 1 1 2 PHE CD2 C 4.105 -3.645 0.097 1.00 . A A . 2 PHE CD2 1 1 9 1164 1 1 2 PHE CE1 C 5.572 -1.525 -0.886 1.00 . A A . 2 PHE CE1 1 1 9 1165 1 1 2 PHE CE2 C 5.028 -3.009 0.907 1.00 . A A . 2 PHE CE2 1 1 9 1166 1 1 2 PHE CG C 3.905 -3.229 -1.209 1.00 . A A . 2 PHE CG 1 1 9 1167 1 1 2 PHE CZ C 5.763 -1.949 0.415 1.00 . A A . 2 PHE CZ 1 1 9 1168 1 1 2 PHE H H 0.787 -2.931 -0.595 1.00 . A A . 2 PHE H 1 1 9 1169 1 1 2 PHE HA H 2.082 -2.257 -3.155 1.00 . A A . 2 PHE HA 1 1 9 1170 1 1 2 PHE HB2 H 2.525 -4.778 -1.548 1.00 . A A . 2 PHE HB2 1 1 9 1171 1 1 2 PHE HB3 H 3.412 -4.256 -2.977 1.00 . A A . 2 PHE HB3 1 1 9 1172 1 1 2 PHE HD1 H 4.500 -1.831 -2.709 1.00 . A A . 2 PHE HD1 1 1 9 1173 1 1 2 PHE HD2 H 3.532 -4.474 0.484 1.00 . A A . 2 PHE HD2 1 1 9 1174 1 1 2 PHE HE1 H 6.145 -0.696 -1.275 1.00 . A A . 2 PHE HE1 1 1 9 1175 1 1 2 PHE HE2 H 5.175 -3.343 1.923 1.00 . A A . 2 PHE HE2 1 1 9 1176 1 1 2 PHE HZ H 6.484 -1.451 1.045 1.00 . A A . 2 PHE HZ 1 1 9 1177 1 1 2 PHE N N 1.157 -2.379 -1.315 1.00 . A A . 2 PHE N 1 1 9 1178 1 1 2 PHE O O 0.974 -4.900 -3.796 1.00 . A A . 2 PHE O 1 1 9 1179 1 1 3 GLY C C -1.984 -3.513 -5.202 1.00 . A A . 3 GLY C 1 1 9 1180 1 1 3 GLY CA C -1.654 -4.093 -3.841 1.00 . A A . 3 GLY CA 1 1 9 1181 1 1 3 GLY H H -0.756 -2.548 -2.706 1.00 . A A . 3 GLY H 1 1 9 1182 1 1 3 GLY HA2 H -1.371 -5.128 -3.962 1.00 . A A . 3 GLY HA2 1 1 9 1183 1 1 3 GLY HA3 H -2.535 -4.042 -3.218 1.00 . A A . 3 GLY HA3 1 1 9 1184 1 1 3 GLY N N -0.572 -3.385 -3.183 1.00 . A A . 3 GLY N 1 1 9 1185 1 1 3 GLY O O -3.104 -3.659 -5.693 1.00 . A A . 3 GLY O 1 1 9 1186 1 1 4 LYS C C -1.169 -3.303 -8.224 1.00 . A A . 4 LYS C 1 1 9 1187 1 1 4 LYS CA C -1.199 -2.245 -7.126 1.00 . A A . 4 LYS CA 1 1 9 1188 1 1 4 LYS CB C -0.118 -1.193 -7.387 1.00 . A A . 4 LYS CB 1 1 9 1189 1 1 4 LYS CD C 1.123 -1.511 -9.547 1.00 . A A . 4 LYS CD 1 1 9 1190 1 1 4 LYS CE C 2.197 -0.545 -10.025 1.00 . A A . 4 LYS CE 1 1 9 1191 1 1 4 LYS CG C -0.009 -0.781 -8.845 1.00 . A A . 4 LYS CG 1 1 9 1192 1 1 4 LYS H H -0.136 -2.768 -5.371 1.00 . A A . 4 LYS H 1 1 9 1193 1 1 4 LYS HA H -2.165 -1.764 -7.132 1.00 . A A . 4 LYS HA 1 1 9 1194 1 1 4 LYS HB2 H -0.340 -0.313 -6.802 1.00 . A A . 4 LYS HB2 1 1 9 1195 1 1 4 LYS HB3 H 0.837 -1.591 -7.075 1.00 . A A . 4 LYS HB3 1 1 9 1196 1 1 4 LYS HD2 H 1.568 -2.215 -8.860 1.00 . A A . 4 LYS HD2 1 1 9 1197 1 1 4 LYS HD3 H 0.724 -2.042 -10.400 1.00 . A A . 4 LYS HD3 1 1 9 1198 1 1 4 LYS HE2 H 2.926 -1.094 -10.602 1.00 . A A . 4 LYS HE2 1 1 9 1199 1 1 4 LYS HE3 H 1.735 0.206 -10.649 1.00 . A A . 4 LYS HE3 1 1 9 1200 1 1 4 LYS HG2 H -0.938 -1.014 -9.346 1.00 . A A . 4 LYS HG2 1 1 9 1201 1 1 4 LYS HG3 H 0.173 0.283 -8.897 1.00 . A A . 4 LYS HG3 1 1 9 1202 1 1 4 LYS HZ1 H 2.424 1.033 -8.676 1.00 . A A . 4 LYS HZ1 1 1 9 1203 1 1 4 LYS HZ2 H 3.882 0.302 -9.127 1.00 . A A . 4 LYS HZ2 1 1 9 1204 1 1 4 LYS HZ3 H 2.846 -0.477 -8.041 1.00 . A A . 4 LYS HZ3 1 1 9 1205 1 1 4 LYS N N -1.008 -2.851 -5.814 1.00 . A A . 4 LYS N 1 1 9 1206 1 1 4 LYS NZ N 2.885 0.125 -8.887 1.00 . A A . 4 LYS NZ 1 1 9 1207 1 1 4 LYS O O -1.763 -3.126 -9.286 1.00 . A A . 4 LYS O 1 1 9 1208 1 1 5 ASN C C -0.972 -6.776 -8.366 1.00 . A A . 5 ASN C 1 1 9 1209 1 1 5 ASN CA C -0.366 -5.492 -8.924 1.00 . A A . 5 ASN CA 1 1 9 1210 1 1 5 ASN CB C 1.098 -5.727 -9.300 1.00 . A A . 5 ASN CB 1 1 9 1211 1 1 5 ASN CG C 1.958 -6.058 -8.095 1.00 . A A . 5 ASN CG 1 1 9 1212 1 1 5 ASN H H -0.020 -4.487 -7.094 1.00 . A A . 5 ASN H 1 1 9 1213 1 1 5 ASN HA H -0.914 -5.204 -9.809 1.00 . A A . 5 ASN HA 1 1 9 1214 1 1 5 ASN HB2 H 1.157 -6.550 -9.997 1.00 . A A . 5 ASN HB2 1 1 9 1215 1 1 5 ASN HB3 H 1.492 -4.837 -9.767 1.00 . A A . 5 ASN HB3 1 1 9 1216 1 1 5 ASN HD21 H 2.079 -4.130 -7.621 1.00 . A A . 5 ASN HD21 1 1 9 1217 1 1 5 ASN HD22 H 2.915 -5.217 -6.569 1.00 . A A . 5 ASN HD22 1 1 9 1218 1 1 5 ASN N N -0.473 -4.404 -7.959 1.00 . A A . 5 ASN N 1 1 9 1219 1 1 5 ASN ND2 N 2.357 -5.031 -7.354 1.00 . A A . 5 ASN ND2 1 1 9 1220 1 1 5 ASN O O -0.488 -7.874 -8.639 1.00 . A A . 5 ASN O 1 1 9 1221 1 1 5 ASN OD1 O 2.259 -7.223 -7.835 1.00 . A A . 5 ASN OD1 1 1 9 1222 1 1 6 LYS C C -3.862 -8.249 -7.869 1.00 . A A . 6 LYS C 1 1 9 1223 1 1 6 LYS CA C -2.711 -7.777 -6.987 1.00 . A A . 6 LYS CA 1 1 9 1224 1 1 6 LYS CB C -3.234 -7.420 -5.594 1.00 . A A . 6 LYS CB 1 1 9 1225 1 1 6 LYS CD C -1.827 -7.680 -3.530 1.00 . A A . 6 LYS CD 1 1 9 1226 1 1 6 LYS CE C -1.363 -8.631 -2.436 1.00 . A A . 6 LYS CE 1 1 9 1227 1 1 6 LYS CG C -2.765 -8.370 -4.506 1.00 . A A . 6 LYS CG 1 1 9 1228 1 1 6 LYS H H -2.376 -5.728 -7.402 1.00 . A A . 6 LYS H 1 1 9 1229 1 1 6 LYS HA H -1.990 -8.576 -6.898 1.00 . A A . 6 LYS HA 1 1 9 1230 1 1 6 LYS HB2 H -2.900 -6.424 -5.342 1.00 . A A . 6 LYS HB2 1 1 9 1231 1 1 6 LYS HB3 H -4.314 -7.434 -5.614 1.00 . A A . 6 LYS HB3 1 1 9 1232 1 1 6 LYS HD2 H -0.962 -7.320 -4.067 1.00 . A A . 6 LYS HD2 1 1 9 1233 1 1 6 LYS HD3 H -2.343 -6.847 -3.075 1.00 . A A . 6 LYS HD3 1 1 9 1234 1 1 6 LYS HE2 H -1.962 -8.463 -1.554 1.00 . A A . 6 LYS HE2 1 1 9 1235 1 1 6 LYS HE3 H -1.502 -9.646 -2.778 1.00 . A A . 6 LYS HE3 1 1 9 1236 1 1 6 LYS HG2 H -3.625 -8.736 -3.965 1.00 . A A . 6 LYS HG2 1 1 9 1237 1 1 6 LYS HG3 H -2.246 -9.200 -4.965 1.00 . A A . 6 LYS HG3 1 1 9 1238 1 1 6 LYS HZ1 H 0.464 -7.643 -2.655 1.00 . A A . 6 LYS HZ1 1 1 9 1239 1 1 6 LYS HZ2 H 0.614 -9.290 -2.297 1.00 . A A . 6 LYS HZ2 1 1 9 1240 1 1 6 LYS HZ3 H 0.169 -8.198 -1.084 1.00 . A A . 6 LYS HZ3 1 1 9 1241 1 1 6 LYS N N -2.036 -6.630 -7.583 1.00 . A A . 6 LYS N 1 1 9 1242 1 1 6 LYS NZ N 0.071 -8.425 -2.094 1.00 . A A . 6 LYS NZ 1 1 9 1243 1 1 6 LYS O O -4.000 -9.442 -8.140 1.00 . A A . 6 LYS O 1 1 9 1244 1 1 7 SER C C -5.371 -7.984 -10.574 1.00 . A A . 7 SER C 1 1 9 1245 1 1 7 SER CA C -5.827 -7.626 -9.163 1.00 . A A . 7 SER CA 1 1 9 1246 1 1 7 SER CB C -6.799 -6.446 -9.214 1.00 . A A . 7 SER CB 1 1 9 1247 1 1 7 SER H H -4.523 -6.372 -8.063 1.00 . A A . 7 SER H 1 1 9 1248 1 1 7 SER HA H -6.332 -8.478 -8.733 1.00 . A A . 7 SER HA 1 1 9 1249 1 1 7 SER HB2 H -6.241 -5.526 -9.293 1.00 . A A . 7 SER HB2 1 1 9 1250 1 1 7 SER HB3 H -7.444 -6.551 -10.074 1.00 . A A . 7 SER HB3 1 1 9 1251 1 1 7 SER HG H -8.196 -7.147 -8.033 1.00 . A A . 7 SER HG 1 1 9 1252 1 1 7 SER N N -4.686 -7.306 -8.314 1.00 . A A . 7 SER N 1 1 9 1253 1 1 7 SER O O -5.715 -9.044 -11.099 1.00 . A A . 7 SER O 1 1 9 1254 1 1 7 SER OG O -7.601 -6.394 -8.046 1.00 . A A . 7 SER OG 1 1 9 1255 1 1 8 ARG C C -3.095 -8.470 -12.560 1.00 . A A . 8 ARG C 1 1 9 1256 1 1 8 ARG CA C -4.091 -7.314 -12.533 1.00 . A A . 8 ARG CA 1 1 9 1257 1 1 8 ARG CB C -3.429 -6.043 -13.067 1.00 . A A . 8 ARG CB 1 1 9 1258 1 1 8 ARG CD C -3.735 -3.754 -14.058 1.00 . A A . 8 ARG CD 1 1 9 1259 1 1 8 ARG CG C -4.410 -4.917 -13.347 1.00 . A A . 8 ARG CG 1 1 9 1260 1 1 8 ARG CZ C -3.872 -2.600 -16.225 1.00 . A A . 8 ARG CZ 1 1 9 1261 1 1 8 ARG H H -4.355 -6.268 -10.712 1.00 . A A . 8 ARG H 1 1 9 1262 1 1 8 ARG HA H -4.931 -7.564 -13.163 1.00 . A A . 8 ARG HA 1 1 9 1263 1 1 8 ARG HB2 H -2.710 -5.693 -12.340 1.00 . A A . 8 ARG HB2 1 1 9 1264 1 1 8 ARG HB3 H -2.913 -6.280 -13.986 1.00 . A A . 8 ARG HB3 1 1 9 1265 1 1 8 ARG HD2 H -3.783 -2.883 -13.422 1.00 . A A . 8 ARG HD2 1 1 9 1266 1 1 8 ARG HD3 H -2.702 -4.011 -14.239 1.00 . A A . 8 ARG HD3 1 1 9 1267 1 1 8 ARG HE H -5.227 -3.890 -15.533 1.00 . A A . 8 ARG HE 1 1 9 1268 1 1 8 ARG HG2 H -5.207 -5.293 -13.972 1.00 . A A . 8 ARG HG2 1 1 9 1269 1 1 8 ARG HG3 H -4.818 -4.567 -12.411 1.00 . A A . 8 ARG HG3 1 1 9 1270 1 1 8 ARG HH11 H -2.236 -2.155 -15.126 1.00 . A A . 8 ARG HH11 1 1 9 1271 1 1 8 ARG HH12 H -2.345 -1.348 -16.656 1.00 . A A . 8 ARG HH12 1 1 9 1272 1 1 8 ARG HH21 H -5.382 -2.834 -17.548 1.00 . A A . 8 ARG HH21 1 1 9 1273 1 1 8 ARG HH22 H -4.135 -1.734 -18.032 1.00 . A A . 8 ARG HH22 1 1 9 1274 1 1 8 ARG N N -4.594 -7.094 -11.182 1.00 . A A . 8 ARG N 1 1 9 1275 1 1 8 ARG NE N -4.377 -3.445 -15.333 1.00 . A A . 8 ARG NE 1 1 9 1276 1 1 8 ARG NH1 N -2.724 -1.983 -15.982 1.00 . A A . 8 ARG NH1 1 1 9 1277 1 1 8 ARG NH2 N -4.516 -2.370 -17.362 1.00 . A A . 8 ARG NH2 1 1 9 1278 1 1 8 ARG O O -3.149 -9.368 -11.719 1.00 . A A . 8 ARG O 1 1 10 1279 1 1 1 LYS C C 1.524 -1.524 -0.400 1.00 . A A . 1 LYS C 1 1 10 1280 1 1 1 LYS CA C 0.834 -0.815 0.762 1.00 . A A . 1 LYS CA 1 1 10 1281 1 1 1 LYS CB C 1.321 0.633 0.850 1.00 . A A . 1 LYS CB 1 1 10 1282 1 1 1 LYS CD C 3.101 2.031 1.939 1.00 . A A . 1 LYS CD 1 1 10 1283 1 1 1 LYS CE C 3.500 3.169 1.013 1.00 . A A . 1 LYS CE 1 1 10 1284 1 1 1 LYS CG C 2.802 0.759 1.163 1.00 . A A . 1 LYS CG 1 1 10 1285 1 1 1 LYS H1 H 1.998 -1.802 2.229 1.00 . A A . 1 LYS H1 1 1 10 1286 1 1 1 LYS HA H -0.231 -0.818 0.588 1.00 . A A . 1 LYS HA 1 1 10 1287 1 1 1 LYS HB2 H 1.130 1.123 -0.093 1.00 . A A . 1 LYS HB2 1 1 10 1288 1 1 1 LYS HB3 H 0.766 1.139 1.627 1.00 . A A . 1 LYS HB3 1 1 10 1289 1 1 1 LYS HD2 H 2.220 2.322 2.490 1.00 . A A . 1 LYS HD2 1 1 10 1290 1 1 1 LYS HD3 H 3.912 1.838 2.628 1.00 . A A . 1 LYS HD3 1 1 10 1291 1 1 1 LYS HE2 H 4.570 3.297 1.060 1.00 . A A . 1 LYS HE2 1 1 10 1292 1 1 1 LYS HE3 H 3.212 2.911 0.004 1.00 . A A . 1 LYS HE3 1 1 10 1293 1 1 1 LYS HG2 H 3.110 -0.091 1.753 1.00 . A A . 1 LYS HG2 1 1 10 1294 1 1 1 LYS HG3 H 3.356 0.776 0.235 1.00 . A A . 1 LYS HG3 1 1 10 1295 1 1 1 LYS HZ1 H 1.944 4.557 0.877 1.00 . A A . 1 LYS HZ1 1 1 10 1296 1 1 1 LYS HZ2 H 3.460 5.252 1.159 1.00 . A A . 1 LYS HZ2 1 1 10 1297 1 1 1 LYS HZ3 H 2.646 4.462 2.414 1.00 . A A . 1 LYS HZ3 1 1 10 1298 1 1 1 LYS N N 1.086 -1.511 2.018 1.00 . A A . 1 LYS N 1 1 10 1299 1 1 1 LYS NZ N 2.841 4.449 1.392 1.00 . A A . 1 LYS NZ 1 1 10 1300 1 1 1 LYS O O 2.040 -0.881 -1.314 1.00 . A A . 1 LYS O 1 1 10 1301 1 1 2 PHE C C 1.104 -4.413 -2.209 1.00 . A A . 2 PHE C 1 1 10 1302 1 1 2 PHE CA C 2.153 -3.648 -1.407 1.00 . A A . 2 PHE CA 1 1 10 1303 1 1 2 PHE CB C 3.162 -4.626 -0.802 1.00 . A A . 2 PHE CB 1 1 10 1304 1 1 2 PHE CD1 C 5.418 -3.527 -0.765 1.00 . A A . 2 PHE CD1 1 1 10 1305 1 1 2 PHE CD2 C 4.227 -3.739 1.290 1.00 . A A . 2 PHE CD2 1 1 10 1306 1 1 2 PHE CE1 C 6.458 -2.906 -0.101 1.00 . A A . 2 PHE CE1 1 1 10 1307 1 1 2 PHE CE2 C 5.265 -3.119 1.959 1.00 . A A . 2 PHE CE2 1 1 10 1308 1 1 2 PHE CG C 4.292 -3.951 -0.078 1.00 . A A . 2 PHE CG 1 1 10 1309 1 1 2 PHE CZ C 6.382 -2.700 1.262 1.00 . A A . 2 PHE CZ 1 1 10 1310 1 1 2 PHE H H 1.100 -3.308 0.397 1.00 . A A . 2 PHE H 1 1 10 1311 1 1 2 PHE HA H 2.673 -2.973 -2.070 1.00 . A A . 2 PHE HA 1 1 10 1312 1 1 2 PHE HB2 H 2.654 -5.267 -0.098 1.00 . A A . 2 PHE HB2 1 1 10 1313 1 1 2 PHE HB3 H 3.586 -5.230 -1.591 1.00 . A A . 2 PHE HB3 1 1 10 1314 1 1 2 PHE HD1 H 5.479 -3.686 -1.832 1.00 . A A . 2 PHE HD1 1 1 10 1315 1 1 2 PHE HD2 H 3.354 -4.066 1.836 1.00 . A A . 2 PHE HD2 1 1 10 1316 1 1 2 PHE HE1 H 7.330 -2.579 -0.649 1.00 . A A . 2 PHE HE1 1 1 10 1317 1 1 2 PHE HE2 H 5.202 -2.960 3.026 1.00 . A A . 2 PHE HE2 1 1 10 1318 1 1 2 PHE HZ H 7.194 -2.216 1.783 1.00 . A A . 2 PHE HZ 1 1 10 1319 1 1 2 PHE N N 1.528 -2.852 -0.358 1.00 . A A . 2 PHE N 1 1 10 1320 1 1 2 PHE O O 1.379 -5.483 -2.751 1.00 . A A . 2 PHE O 1 1 10 1321 1 1 3 GLY C C -1.557 -3.737 -4.266 1.00 . A A . 3 GLY C 1 1 10 1322 1 1 3 GLY CA C -1.174 -4.500 -3.013 1.00 . A A . 3 GLY CA 1 1 10 1323 1 1 3 GLY H H -0.263 -3.002 -1.825 1.00 . A A . 3 GLY H 1 1 10 1324 1 1 3 GLY HA2 H -0.860 -5.494 -3.292 1.00 . A A . 3 GLY HA2 1 1 10 1325 1 1 3 GLY HA3 H -2.041 -4.573 -2.372 1.00 . A A . 3 GLY HA3 1 1 10 1326 1 1 3 GLY N N -0.101 -3.857 -2.278 1.00 . A A . 3 GLY N 1 1 10 1327 1 1 3 GLY O O -2.710 -3.773 -4.697 1.00 . A A . 3 GLY O 1 1 10 1328 1 1 4 LYS C C -0.914 -3.175 -7.285 1.00 . A A . 4 LYS C 1 1 10 1329 1 1 4 LYS CA C -0.828 -2.265 -6.063 1.00 . A A . 4 LYS CA 1 1 10 1330 1 1 4 LYS CB C 0.284 -1.232 -6.260 1.00 . A A . 4 LYS CB 1 1 10 1331 1 1 4 LYS CD C 1.378 -1.317 -8.519 1.00 . A A . 4 LYS CD 1 1 10 1332 1 1 4 LYS CE C 2.472 -0.343 -8.929 1.00 . A A . 4 LYS CE 1 1 10 1333 1 1 4 LYS CG C 0.324 -0.641 -7.659 1.00 . A A . 4 LYS CG 1 1 10 1334 1 1 4 LYS H H 0.311 -3.051 -4.461 1.00 . A A . 4 LYS H 1 1 10 1335 1 1 4 LYS HA H -1.770 -1.750 -5.946 1.00 . A A . 4 LYS HA 1 1 10 1336 1 1 4 LYS HB2 H 0.139 -0.426 -5.555 1.00 . A A . 4 LYS HB2 1 1 10 1337 1 1 4 LYS HB3 H 1.236 -1.704 -6.063 1.00 . A A . 4 LYS HB3 1 1 10 1338 1 1 4 LYS HD2 H 1.824 -2.126 -7.959 1.00 . A A . 4 LYS HD2 1 1 10 1339 1 1 4 LYS HD3 H 0.907 -1.710 -9.409 1.00 . A A . 4 LYS HD3 1 1 10 1340 1 1 4 LYS HE2 H 2.779 -0.570 -9.938 1.00 . A A . 4 LYS HE2 1 1 10 1341 1 1 4 LYS HE3 H 2.075 0.660 -8.891 1.00 . A A . 4 LYS HE3 1 1 10 1342 1 1 4 LYS HG2 H -0.642 -0.772 -8.123 1.00 . A A . 4 LYS HG2 1 1 10 1343 1 1 4 LYS HG3 H 0.552 0.413 -7.588 1.00 . A A . 4 LYS HG3 1 1 10 1344 1 1 4 LYS HZ1 H 4.525 -0.213 -8.561 1.00 . A A . 4 LYS HZ1 1 1 10 1345 1 1 4 LYS HZ2 H 3.736 -1.388 -7.635 1.00 . A A . 4 LYS HZ2 1 1 10 1346 1 1 4 LYS HZ3 H 3.563 0.249 -7.249 1.00 . A A . 4 LYS HZ3 1 1 10 1347 1 1 4 LYS N N -0.588 -3.041 -4.852 1.00 . A A . 4 LYS N 1 1 10 1348 1 1 4 LYS NZ N 3.657 -0.430 -8.031 1.00 . A A . 4 LYS NZ 1 1 10 1349 1 1 4 LYS O O -1.562 -2.840 -8.275 1.00 . A A . 4 LYS O 1 1 10 1350 1 1 5 ASN C C -1.214 -6.439 -8.018 1.00 . A A . 5 ASN C 1 1 10 1351 1 1 5 ASN CA C -0.259 -5.285 -8.305 1.00 . A A . 5 ASN CA 1 1 10 1352 1 1 5 ASN CB C 1.153 -5.825 -8.543 1.00 . A A . 5 ASN CB 1 1 10 1353 1 1 5 ASN CG C 2.018 -4.856 -9.325 1.00 . A A . 5 ASN CG 1 1 10 1354 1 1 5 ASN H H 0.244 -4.538 -6.389 1.00 . A A . 5 ASN H 1 1 10 1355 1 1 5 ASN HA H -0.591 -4.770 -9.193 1.00 . A A . 5 ASN HA 1 1 10 1356 1 1 5 ASN HB2 H 1.626 -6.010 -7.589 1.00 . A A . 5 ASN HB2 1 1 10 1357 1 1 5 ASN HB3 H 1.091 -6.750 -9.095 1.00 . A A . 5 ASN HB3 1 1 10 1358 1 1 5 ASN HD21 H 3.372 -4.848 -7.868 1.00 . A A . 5 ASN HD21 1 1 10 1359 1 1 5 ASN HD22 H 3.734 -3.856 -9.236 1.00 . A A . 5 ASN HD22 1 1 10 1360 1 1 5 ASN N N -0.256 -4.327 -7.206 1.00 . A A . 5 ASN N 1 1 10 1361 1 1 5 ASN ND2 N 3.156 -4.483 -8.752 1.00 . A A . 5 ASN ND2 1 1 10 1362 1 1 5 ASN O O -1.016 -7.558 -8.494 1.00 . A A . 5 ASN O 1 1 10 1363 1 1 5 ASN OD1 O 1.667 -4.448 -10.433 1.00 . A A . 5 ASN OD1 1 1 10 1364 1 1 6 LYS C C -4.604 -6.831 -7.484 1.00 . A A . 6 LYS C 1 1 10 1365 1 1 6 LYS CA C -3.242 -7.173 -6.888 1.00 . A A . 6 LYS CA 1 1 10 1366 1 1 6 LYS CB C -3.356 -7.301 -5.368 1.00 . A A . 6 LYS CB 1 1 10 1367 1 1 6 LYS CD C -1.446 -8.927 -5.228 1.00 . A A . 6 LYS CD 1 1 10 1368 1 1 6 LYS CE C -0.326 -9.442 -4.337 1.00 . A A . 6 LYS CE 1 1 10 1369 1 1 6 LYS CG C -2.041 -7.638 -4.686 1.00 . A A . 6 LYS CG 1 1 10 1370 1 1 6 LYS H H -2.358 -5.249 -6.890 1.00 . A A . 6 LYS H 1 1 10 1371 1 1 6 LYS HA H -2.910 -8.115 -7.297 1.00 . A A . 6 LYS HA 1 1 10 1372 1 1 6 LYS HB2 H -3.716 -6.365 -4.966 1.00 . A A . 6 LYS HB2 1 1 10 1373 1 1 6 LYS HB3 H -4.067 -8.080 -5.136 1.00 . A A . 6 LYS HB3 1 1 10 1374 1 1 6 LYS HD2 H -2.221 -9.676 -5.281 1.00 . A A . 6 LYS HD2 1 1 10 1375 1 1 6 LYS HD3 H -1.052 -8.743 -6.217 1.00 . A A . 6 LYS HD3 1 1 10 1376 1 1 6 LYS HE2 H -0.395 -8.955 -3.376 1.00 . A A . 6 LYS HE2 1 1 10 1377 1 1 6 LYS HE3 H -0.446 -10.507 -4.210 1.00 . A A . 6 LYS HE3 1 1 10 1378 1 1 6 LYS HG2 H -1.341 -6.833 -4.854 1.00 . A A . 6 LYS HG2 1 1 10 1379 1 1 6 LYS HG3 H -2.215 -7.750 -3.625 1.00 . A A . 6 LYS HG3 1 1 10 1380 1 1 6 LYS HZ1 H 1.721 -9.063 -4.165 1.00 . A A . 6 LYS HZ1 1 1 10 1381 1 1 6 LYS HZ2 H 0.991 -8.298 -5.486 1.00 . A A . 6 LYS HZ2 1 1 10 1382 1 1 6 LYS HZ3 H 1.303 -9.959 -5.537 1.00 . A A . 6 LYS HZ3 1 1 10 1383 1 1 6 LYS N N -2.253 -6.160 -7.238 1.00 . A A . 6 LYS N 1 1 10 1384 1 1 6 LYS NZ N 1.017 -9.172 -4.922 1.00 . A A . 6 LYS NZ 1 1 10 1385 1 1 6 LYS O O -5.642 -7.206 -6.938 1.00 . A A . 6 LYS O 1 1 10 1386 1 1 7 SER C C -6.046 -6.547 -10.542 1.00 . A A . 7 SER C 1 1 10 1387 1 1 7 SER CA C -5.828 -5.726 -9.274 1.00 . A A . 7 SER CA 1 1 10 1388 1 1 7 SER CB C -5.795 -4.235 -9.617 1.00 . A A . 7 SER CB 1 1 10 1389 1 1 7 SER H H -3.733 -5.851 -8.993 1.00 . A A . 7 SER H 1 1 10 1390 1 1 7 SER HA H -6.646 -5.912 -8.594 1.00 . A A . 7 SER HA 1 1 10 1391 1 1 7 SER HB2 H -5.319 -4.100 -10.577 1.00 . A A . 7 SER HB2 1 1 10 1392 1 1 7 SER HB3 H -6.805 -3.856 -9.660 1.00 . A A . 7 SER HB3 1 1 10 1393 1 1 7 SER HG H -5.515 -3.577 -7.793 1.00 . A A . 7 SER HG 1 1 10 1394 1 1 7 SER N N -4.593 -6.120 -8.606 1.00 . A A . 7 SER N 1 1 10 1395 1 1 7 SER O O -7.033 -7.272 -10.663 1.00 . A A . 7 SER O 1 1 10 1396 1 1 7 SER OG O -5.072 -3.504 -8.642 1.00 . A A . 7 SER OG 1 1 10 1397 1 1 8 ARG C C -4.475 -8.491 -12.651 1.00 . A A . 8 ARG C 1 1 10 1398 1 1 8 ARG CA C -5.206 -7.155 -12.743 1.00 . A A . 8 ARG CA 1 1 10 1399 1 1 8 ARG CB C -4.621 -6.319 -13.883 1.00 . A A . 8 ARG CB 1 1 10 1400 1 1 8 ARG CD C -5.699 -4.505 -15.248 1.00 . A A . 8 ARG CD 1 1 10 1401 1 1 8 ARG CG C -5.624 -6.000 -14.980 1.00 . A A . 8 ARG CG 1 1 10 1402 1 1 8 ARG CZ C -4.898 -4.223 -17.555 1.00 . A A . 8 ARG CZ 1 1 10 1403 1 1 8 ARG H H -4.352 -5.832 -11.329 1.00 . A A . 8 ARG H 1 1 10 1404 1 1 8 ARG HA H -6.250 -7.342 -12.945 1.00 . A A . 8 ARG HA 1 1 10 1405 1 1 8 ARG HB2 H -4.254 -5.387 -13.480 1.00 . A A . 8 ARG HB2 1 1 10 1406 1 1 8 ARG HB3 H -3.798 -6.860 -14.325 1.00 . A A . 8 ARG HB3 1 1 10 1407 1 1 8 ARG HD2 H -6.531 -4.095 -14.694 1.00 . A A . 8 ARG HD2 1 1 10 1408 1 1 8 ARG HD3 H -4.782 -4.046 -14.912 1.00 . A A . 8 ARG HD3 1 1 10 1409 1 1 8 ARG HE H -6.791 -3.996 -16.971 1.00 . A A . 8 ARG HE 1 1 10 1410 1 1 8 ARG HG2 H -5.323 -6.502 -15.888 1.00 . A A . 8 ARG HG2 1 1 10 1411 1 1 8 ARG HG3 H -6.599 -6.353 -14.678 1.00 . A A . 8 ARG HG3 1 1 10 1412 1 1 8 ARG HH11 H -3.471 -4.723 -16.214 1.00 . A A . 8 ARG HH11 1 1 10 1413 1 1 8 ARG HH12 H -2.920 -4.521 -17.844 1.00 . A A . 8 ARG HH12 1 1 10 1414 1 1 8 ARG HH21 H -6.077 -3.728 -19.120 1.00 . A A . 8 ARG HH21 1 1 10 1415 1 1 8 ARG HH22 H -4.402 -3.954 -19.496 1.00 . A A . 8 ARG HH22 1 1 10 1416 1 1 8 ARG N N -5.116 -6.426 -11.484 1.00 . A A . 8 ARG N 1 1 10 1417 1 1 8 ARG NE N -5.885 -4.212 -16.667 1.00 . A A . 8 ARG NE 1 1 10 1418 1 1 8 ARG NH1 N -3.661 -4.512 -17.173 1.00 . A A . 8 ARG NH1 1 1 10 1419 1 1 8 ARG NH2 N -5.146 -3.946 -18.829 1.00 . A A . 8 ARG NH2 1 1 10 1420 1 1 8 ARG O O -4.165 -9.112 -13.668 1.00 . A A . 8 ARG O 1 1 stop_ save_
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