NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
589284 | 2n0n | 26537 | cing | 4-filtered-FRED | STAR | entry | full | 54 |
data_FRED_restraints_with_modified_coordinates_PDB_code_2n0n # This FRED archive file contains, for PDB entry <2n0n>: # # - 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_2n0n _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 2n0n _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "not present" _Assembly.Molecular_mass 1293.41 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 $lactam__5_9__11mer_peptide A . 1 1 stop_ save_ save_lactam__5_9__11mer_peptide _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name "lactam 5 9 11mer peptide" _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code HXEGKFTSEFXX _Entity.Number_of_monomers 12 loop_ _Entity_comp_index.ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 HIS . 1 1 2 ABA $ABA 1 1 3 GLU . 1 1 4 GLY . 1 1 5 LYS . 1 1 6 PHE . 1 1 7 THR . 1 1 8 SER . 1 1 9 GLU . 1 1 10 PHE . 1 1 11 . $. 1 1 12 NH2 $NH2 1 1 stop_ loop_ _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID HIS 1 1 1 1 ABA 2 2 1 1 GLU 3 3 1 1 GLY 4 4 1 1 LYS 5 5 1 1 PHE 6 6 1 1 THR 7 7 1 1 SER 8 8 1 1 GLU 9 9 1 1 PHE 10 10 1 1 . 11 11 1 1 NH2 12 12 1 1 stop_ save_ save_ABA _Chem_comp.Sf_category chem_comp _Chem_comp.Entry_ID 1 _Chem_comp.ID ABA _Chem_comp.Type non-polymer save_ save_NH2 _Chem_comp.Sf_category chem_comp _Chem_comp.Entry_ID 1 _Chem_comp.ID NH2 _Chem_comp.Type non-polymer save_ save_. _Chem_comp.Sf_category chem_comp _Chem_comp.Entry_ID 1 _Chem_comp.ID . _Chem_comp.Type non-polymer save_ save_CNS/XPLOR_distance_constraints_2_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID . _Distance_constraint_list.Block_ID . loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . 1 1 2 1 . . . 1 1 3 1 . . . 1 1 4 1 . . . 1 1 5 1 . . . 1 1 6 1 . . . 1 1 7 1 . . . 1 1 8 1 . . . 1 1 9 1 . . . 1 1 10 1 . . . 1 1 11 1 . . . 1 1 12 1 . . . 1 1 13 1 . . . 1 1 14 1 . . . 1 1 15 1 . . . 1 1 16 1 . . . 1 1 17 1 . . . 1 1 18 1 . . . 1 1 19 1 . . . 1 1 20 1 . . . 1 1 21 1 . . . 1 1 22 1 . . . 1 1 23 1 . . . 1 1 24 1 . . . 1 1 25 1 . . . 1 1 26 1 . . . 1 1 27 1 . . . 1 1 28 1 . . . 1 1 29 1 . . . 1 1 30 1 . . . 1 1 31 1 . . . 1 1 32 1 . . . 1 1 33 1 . . . 1 1 34 1 . . . 1 1 35 1 . . . 1 1 36 1 . . . 1 1 37 1 . . . 1 1 38 1 . . . 1 1 39 1 . . . 1 1 40 1 . . . 1 1 41 1 . . . 1 1 42 1 . . . 1 1 43 1 . . . 1 1 44 1 . . . 1 1 45 1 . . . 1 1 46 1 . . . 1 1 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 3 GLU HA . 3 . HA 1 1 1 1 2 1 1 4 GLY H . 4 . HN 1 1 2 1 1 1 1 3 GLU HA . 3 . HA 1 1 2 1 2 1 1 5 LYS H . 5 . HN 1 1 3 1 1 1 1 3 GLU HA . 3 . HA 1 1 3 1 2 1 1 6 PHE H . 6 . HN 1 1 4 1 1 1 1 3 GLU HA . 3 . HA 1 1 4 1 2 1 1 7 THR H . 7 . HN 1 1 5 1 1 1 1 3 GLU H . 3 . HN 1 1 5 1 2 1 1 4 GLY H . 4 . HN 1 1 6 1 1 1 1 3 GLU HB2 . 3 . HB1 1 1 6 1 2 1 1 4 GLY H . 4 . HN 1 1 7 1 1 1 1 3 GLU HB3 . 3 . HB2 1 1 7 1 2 1 1 4 GLY H . 4 . HN 1 1 8 1 1 1 1 3 GLU HB2 . 3 . HB1 1 1 8 1 2 1 1 5 LYS H . 5 . HN 1 1 9 1 1 1 1 3 GLU HA . 3 . HA 1 1 9 1 2 1 1 6 PHE HB3 . 6 . HB2 1 1 10 1 1 1 1 4 GLY HA2 . 4 . HA1 1 1 10 1 2 1 1 5 LYS H . 5 . HN 1 1 11 1 1 1 1 4 GLY HA2 . 4 . HA1 1 1 11 1 2 1 1 6 PHE H . 6 . HN 1 1 12 1 1 1 1 4 GLY HA2 . 4 . HA1 1 1 12 1 2 1 1 7 THR H . 7 . HN 1 1 13 1 1 1 1 4 GLY H . 4 . HN 1 1 13 1 2 1 1 5 LYS H . 5 . HN 1 1 14 1 1 1 1 4 GLY HA2 . 4 . HA1 1 1 14 1 2 1 1 7 THR HB . 7 . HB 1 1 15 1 1 1 1 5 LYS HA . 5 . HA 1 1 15 1 2 1 1 6 PHE H . 6 . HN 1 1 16 1 1 1 1 5 LYS HA . 5 . HA 1 1 16 1 2 1 1 7 THR H . 7 . HN 1 1 17 1 1 1 1 5 LYS HA . 5 . HA 1 1 17 1 2 1 1 8 SER H . 8 . HN 1 1 18 1 1 1 1 5 LYS HA . 5 . HA 1 1 18 1 2 1 1 9 GLU H . 9 . HN 1 1 19 1 1 1 1 5 LYS H . 5 . HN 1 1 19 1 2 1 1 6 PHE H . 6 . HN 1 1 20 1 1 1 1 5 LYS QB . 5 . HB* 1 1 20 1 2 1 1 6 PHE H . 6 . HN 1 1 21 1 1 1 1 5 LYS QB . 5 . HB* 1 1 21 1 2 1 1 7 THR H . 7 . HN 1 1 22 1 1 1 1 5 LYS HA . 5 . HA 1 1 22 1 2 1 1 8 SER QB . 8 . HB* 1 1 23 1 1 1 1 6 PHE H . 6 . HN 1 1 23 1 2 1 1 7 THR H . 7 . HN 1 1 24 1 1 1 1 6 PHE HB2 . 6 . HB1 1 1 24 1 2 1 1 7 THR H . 7 . HN 1 1 25 1 1 1 1 6 PHE HB3 . 6 . HB2 1 1 25 1 2 1 1 7 THR H . 7 . HN 1 1 26 1 1 1 1 6 PHE HB3 . 6 . HB2 1 1 26 1 2 1 1 8 SER H . 8 . HN 1 1 27 1 1 1 1 6 PHE HB2 . 6 . HB1 1 1 27 1 2 1 1 8 SER H . 8 . HN 1 1 28 1 1 1 1 6 PHE H . 6 . HN 1 1 28 1 2 1 1 8 SER H . 8 . HN 1 1 29 1 1 1 1 7 THR HA . 7 . HA 1 1 29 1 2 1 1 8 SER H . 8 . HN 1 1 30 1 1 1 1 7 THR HA . 7 . HA 1 1 30 1 2 1 1 9 GLU H . 9 . HN 1 1 31 1 1 1 1 7 THR HA . 7 . HA 1 1 31 1 2 1 1 10 PHE H . 10 . HN 1 1 32 1 1 1 1 7 THR H . 7 . HN 1 1 32 1 2 1 1 8 SER H . 8 . HN 1 1 33 1 1 1 1 7 THR H . 7 . HN 1 1 33 1 2 1 1 9 GLU H . 9 . HN 1 1 34 1 1 1 1 7 THR HB . 7 . HB 1 1 34 1 2 1 1 8 SER H . 8 . HN 1 1 35 1 1 1 1 7 THR HB . 7 . HB 1 1 35 1 2 1 1 9 GLU H . 9 . HN 1 1 36 1 1 1 1 8 SER HA . 8 . HA 1 1 36 1 2 1 1 9 GLU H . 9 . HN 1 1 37 1 1 1 1 8 SER HA . 8 . HA 1 1 37 1 2 1 1 10 PHE H . 10 . HN 1 1 38 1 1 1 1 8 SER H . 8 . HN 1 1 38 1 2 1 1 9 GLU H . 9 . HN 1 1 39 1 1 1 1 8 SER HB2 . 8 . HB1 1 1 39 1 2 1 1 9 GLU H . 9 . HN 1 1 40 1 1 1 1 8 SER HB3 . 8 . HB2 1 1 40 1 2 1 1 9 GLU H . 9 . HN 1 1 41 1 1 1 1 8 SER HB2 . 8 . HB1 1 1 41 1 2 1 1 10 PHE H . 10 . HN 1 1 42 1 1 1 1 8 SER HB3 . 8 . HB2 1 1 42 1 2 1 1 10 PHE H . 10 . HN 1 1 43 1 1 1 1 9 GLU HA . 9 . HA 1 1 43 1 2 1 1 10 PHE H . 10 . HN 1 1 44 1 1 1 1 9 GLU H . 9 . HN 1 1 44 1 2 1 1 10 PHE H . 10 . HN 1 1 45 1 1 1 1 9 GLU HB2 . 9 . HB1 1 1 45 1 2 1 1 10 PHE H . 10 . HN 1 1 46 1 1 1 1 9 GLU HB3 . 9 . HB2 1 1 46 1 2 1 1 10 PHE H . 10 . HN 1 1 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 0.0 0.0 3.5 1 1 2 1 . . . . . 0.0 0.0 6.0 1 1 3 1 . . . . . 0.0 0.0 6.0 1 1 4 1 . . . . . 0.0 0.0 6.0 1 1 5 1 . . . . . 0.0 0.0 3.5 1 1 6 1 . . . . . 0.0 0.0 5.0 1 1 7 1 . . . . . 0.0 0.0 5.0 1 1 8 1 . . . . . 0.0 0.0 6.0 1 1 9 1 . . . . . 0.0 0.0 6.0 1 1 10 1 . . . . . 0.0 0.0 5.0 1 1 11 1 . . . . . 0.0 0.0 6.0 1 1 12 1 . . . . . 0.0 0.0 6.0 1 1 13 1 . . . . . 0.0 0.0 3.5 1 1 14 1 . . . . . 0.0 0.0 6.0 1 1 15 1 . . . . . 0.0 0.0 5.0 1 1 16 1 . . . . . 0.0 0.0 5.0 1 1 17 1 . . . . . 0.0 0.0 5.0 1 1 18 1 . . . . . 0.0 0.0 6.0 1 1 19 1 . . . . . 0.0 0.0 3.5 1 1 20 1 . . . . . 0.0 0.0 4.5 1 1 21 1 . . . . . 0.0 0.0 7.0 1 1 22 1 . . . . . 0.0 0.0 6.0 1 1 23 1 . . . . . 0.0 0.0 3.5 1 1 24 1 . . . . . 0.0 0.0 3.5 1 1 25 1 . . . . . 0.0 0.0 3.5 1 1 26 1 . . . . . 0.0 0.0 6.0 1 1 27 1 . . . . . 0.0 0.0 6.0 1 1 28 1 . . . . . 0.0 0.0 6.0 1 1 29 1 . . . . . 0.0 0.0 5.0 1 1 30 1 . . . . . 0.0 0.0 6.0 1 1 31 1 . . . . . 0.0 0.0 5.0 1 1 32 1 . . . . . 0.0 0.0 3.5 1 1 33 1 . . . . . 0.0 0.0 6.0 1 1 34 1 . . . . . 0.0 0.0 5.0 1 1 35 1 . . . . . 0.0 0.0 6.0 1 1 36 1 . . . . . 0.0 0.0 5.0 1 1 37 1 . . . . . 0.0 0.0 6.0 1 1 38 1 . . . . . 0.0 0.0 3.5 1 1 39 1 . . . . . 0.0 0.0 5.0 1 1 40 1 . . . . . 0.0 0.0 5.0 1 1 41 1 . . . . . 0.0 0.0 6.0 1 1 42 1 . . . . . 0.0 0.0 6.0 1 1 43 1 . . . . . 0.0 0.0 3.5 1 1 44 1 . . . . . 0.0 0.0 3.5 1 1 45 1 . . . . . 0.0 0.0 5.0 1 1 46 1 . . . . . 0.0 0.0 5.0 1 1 stop_ save_ save_CNS/XPLOR_distance_constraints_3_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 2 _Distance_constraint_list.Constraint_type "hydrogen bond" _Distance_constraint_list.Constraint_file_ID . _Distance_constraint_list.Block_ID . loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . 1 2 2 1 . . . 1 2 3 1 . . . 1 2 4 1 . . . 1 2 5 1 . . . 1 2 6 1 . . . 1 2 7 1 . . . 1 2 8 1 . . . 1 2 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 1 1 2 ABA O . 2 . O 1 2 1 1 2 1 1 5 LYS H . 5 . HN 1 2 2 1 1 1 1 2 ABA O . 2 . O 1 2 2 1 2 1 1 5 LYS N . 5 . N 1 2 3 1 1 1 1 4 GLY O . 4 . O 1 2 3 1 2 1 1 8 SER H . 8 . HN 1 2 4 1 1 1 1 4 GLY O . 4 . O 1 2 4 1 2 1 1 8 SER N . 8 . N 1 2 5 1 1 1 1 6 PHE O . 6 . O 1 2 5 1 2 1 1 10 PHE H . 10 . HN 1 2 6 1 1 1 1 6 PHE O . 6 . O 1 2 6 1 2 1 1 10 PHE N . 10 . N 1 2 7 1 1 1 1 5 LYS O . 5 . O 1 2 7 1 2 1 1 9 GLU H . 9 . HN 1 2 8 1 1 1 1 5 LYS O . 5 . O 1 2 8 1 2 1 1 9 GLU N . 9 . N 1 2 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 1.88 1.58 2.5 1 2 2 1 . . . . . 2.88 2.58 3.5 1 2 3 1 . . . . . 1.88 1.58 2.3 1 2 4 1 . . . . . 2.88 2.58 3.3 1 2 5 1 . . . . . 1.88 1.58 2.3 1 2 6 1 . . . . . 2.88 2.58 3.3 1 2 7 1 . . . . . 1.88 1.58 2.3 1 2 8 1 . . . . . 2.88 2.58 3.3 1 2 stop_ save_ save_conformer_family_coord_set_1 _Conformer_family_coord_set.Sf_category conformer_family_coord_set _Conformer_family_coord_set.Entry_ID 1 _Conformer_family_coord_set.ID 1 loop_ _Atom_site.Model_ID _Atom_site.ID _Atom_site.Label_entity_assembly_ID _Atom_site.Label_entity_ID _Atom_site.Label_comp_index_ID _Atom_site.Label_comp_ID _Atom_site.Label_atom_ID _Atom_site.Type_symbol _Atom_site.Cartn_x _Atom_site.Cartn_y _Atom_site.Cartn_z _Atom_site.Occupancy _Atom_site.Uncertainty _Atom_site.PDBX_label_asym_ID _Atom_site.PDB_strand_ID _Atom_site.PDB_ins_code _Atom_site.PDB_residue_no _Atom_site.PDB_residue_name _Atom_site.PDB_atom_name _Atom_site.Entry_ID _Atom_site.Conformer_family_coord_set_ID 1 1 1 1 1 HIS C C 10.062 -6.451 1.570 1.00 . A A . 1 HIS C 1 1 1 2 1 1 1 HIS CA C 11.486 -6.358 1.031 1.00 . A A . 1 HIS CA 1 1 1 3 1 1 1 HIS CB C 11.534 -6.836 -0.422 1.00 . A A . 1 HIS CB 1 1 1 4 1 1 1 HIS CD2 C 13.847 -5.737 -0.837 1.00 . A A . 1 HIS CD2 1 1 1 5 1 1 1 HIS CE1 C 14.533 -7.039 -2.461 1.00 . A A . 1 HIS CE1 1 1 1 6 1 1 1 HIS CG C 12.869 -6.645 -1.071 1.00 . A A . 1 HIS CG 1 1 1 7 1 1 1 HIS H1 H 12.283 -8.197 1.610 1.00 . A A . 1 HIS H1 1 1 1 8 1 1 1 HIS H2 H 12.245 -7.045 2.848 1.00 . A A . 1 HIS H2 1 1 1 9 1 1 1 HIS H3 H 13.404 -6.929 1.621 1.00 . A A . 1 HIS H3 1 1 1 10 1 1 1 HIS HA H 11.814 -5.330 1.078 1.00 . A A . 1 HIS HA 1 1 1 11 1 1 1 HIS HB2 H 11.296 -7.888 -0.456 1.00 . A A . 1 HIS HB2 1 1 1 12 1 1 1 HIS HB3 H 10.802 -6.288 -0.998 1.00 . A A . 1 HIS HB3 1 1 1 13 1 1 1 HIS HD1 H 12.848 -8.200 -2.493 1.00 . A A . 1 HIS HD1 1 1 1 14 1 1 1 HIS HD2 H 13.826 -4.949 -0.097 1.00 . A A . 1 HIS HD2 1 1 1 15 1 1 1 HIS HE1 H 15.138 -7.478 -3.241 1.00 . A A . 1 HIS HE1 1 1 1 16 1 1 1 HIS HE2 H 15.746 -5.566 -1.716 1.00 . A A . 1 HIS HE2 1 1 1 17 1 1 1 HIS N N 12.419 -7.190 1.833 1.00 . A A . 1 HIS N 1 1 1 18 1 1 1 HIS ND1 N 13.331 -7.445 -2.095 1.00 . A A . 1 HIS ND1 1 1 1 19 1 1 1 HIS NE2 N 14.869 -6.004 -1.714 1.00 . A A . 1 HIS NE2 1 1 1 20 1 1 1 HIS O O 9.553 -5.506 2.173 1.00 . A A . 1 HIS O 1 1 1 21 1 1 2 ABA C C 7.997 -7.677 3.341 1.00 . A A . 2 AIB C 1 1 1 22 1 1 2 ABA CA C 8.054 -7.818 1.817 1.00 . A A . 2 AIB CA 1 1 1 23 1 1 2 ABA H H 9.884 -8.314 0.865 1.00 . A A . 2 AIB H 1 1 1 24 1 1 2 ABA N N 9.425 -7.597 1.350 1.00 . A A . 2 AIB N 1 1 1 25 1 1 2 ABA O O 6.942 -7.388 3.906 1.00 . A A . 2 AIB O 1 1 1 26 1 1 3 GLU C C 8.556 -6.497 5.953 1.00 . A A . 3 GLU C 1 1 1 27 1 1 3 GLU CA C 9.213 -7.782 5.455 1.00 . A A . 3 GLU CA 1 1 1 28 1 1 3 GLU CB C 10.672 -7.832 5.912 1.00 . A A . 3 GLU CB 1 1 1 29 1 1 3 GLU CD C 10.934 -10.216 5.118 1.00 . A A . 3 GLU CD 1 1 1 30 1 1 3 GLU CG C 11.156 -9.232 6.251 1.00 . A A . 3 GLU CG 1 1 1 31 1 1 3 GLU H H 9.944 -8.114 3.496 1.00 . A A . 3 GLU H 1 1 1 32 1 1 3 GLU HA H 8.686 -8.627 5.873 1.00 . A A . 3 GLU HA 1 1 1 33 1 1 3 GLU HB2 H 11.297 -7.440 5.123 1.00 . A A . 3 GLU HB2 1 1 1 34 1 1 3 GLU HB3 H 10.784 -7.213 6.790 1.00 . A A . 3 GLU HB3 1 1 1 35 1 1 3 GLU HG2 H 12.212 -9.191 6.470 1.00 . A A . 3 GLU HG2 1 1 1 36 1 1 3 GLU HG3 H 10.621 -9.582 7.122 1.00 . A A . 3 GLU HG3 1 1 1 37 1 1 3 GLU N N 9.136 -7.885 3.999 1.00 . A A . 3 GLU N 1 1 1 38 1 1 3 GLU O O 8.040 -6.445 7.070 1.00 . A A . 3 GLU O 1 1 1 39 1 1 3 GLU OE1 O 11.060 -9.808 3.945 1.00 . A A . 3 GLU OE1 1 1 1 40 1 1 3 GLU OE2 O 10.635 -11.394 5.405 1.00 . A A . 3 GLU OE2 1 1 1 41 1 1 4 GLY C C 6.485 -4.296 5.712 1.00 . A A . 4 GLY C 1 1 1 42 1 1 4 GLY CA C 7.983 -4.195 5.494 1.00 . A A . 4 GLY CA 1 1 1 43 1 1 4 GLY H H 9.004 -5.562 4.241 1.00 . A A . 4 GLY H 1 1 1 44 1 1 4 GLY HA2 H 8.445 -3.850 6.407 1.00 . A A . 4 GLY HA2 1 1 1 45 1 1 4 GLY HA3 H 8.174 -3.474 4.713 1.00 . A A . 4 GLY HA3 1 1 1 46 1 1 4 GLY N N 8.579 -5.463 5.119 1.00 . A A . 4 GLY N 1 1 1 47 1 1 4 GLY O O 5.896 -3.461 6.398 1.00 . A A . 4 GLY O 1 1 1 48 1 1 5 LYS C C 4.038 -5.650 6.735 1.00 . A A . 5 LYS C 1 1 1 49 1 1 5 LYS CA C 4.428 -5.516 5.264 1.00 . A A . 5 LYS CA 1 1 1 50 1 1 5 LYS CB C 3.979 -6.750 4.462 1.00 . A A . 5 LYS CB 1 1 1 51 1 1 5 LYS CD C 2.305 -7.996 5.871 1.00 . A A . 5 LYS CD 1 1 1 52 1 1 5 LYS CE C 2.293 -8.333 7.355 1.00 . A A . 5 LYS CE 1 1 1 53 1 1 5 LYS CG C 3.718 -7.994 5.304 1.00 . A A . 5 LYS CG 1 1 1 54 1 1 5 LYS H H 6.387 -5.951 4.590 1.00 . A A . 5 LYS H 1 1 1 55 1 1 5 LYS HA H 3.939 -4.643 4.859 1.00 . A A . 5 LYS HA 1 1 1 56 1 1 5 LYS HB2 H 3.069 -6.507 3.935 1.00 . A A . 5 LYS HB2 1 1 1 57 1 1 5 LYS HB3 H 4.746 -6.989 3.739 1.00 . A A . 5 LYS HB3 1 1 1 58 1 1 5 LYS HD2 H 1.870 -7.018 5.732 1.00 . A A . 5 LYS HD2 1 1 1 59 1 1 5 LYS HD3 H 1.717 -8.731 5.340 1.00 . A A . 5 LYS HD3 1 1 1 60 1 1 5 LYS HE2 H 1.706 -9.227 7.503 1.00 . A A . 5 LYS HE2 1 1 1 61 1 1 5 LYS HE3 H 3.308 -8.512 7.679 1.00 . A A . 5 LYS HE3 1 1 1 62 1 1 5 LYS HG2 H 3.846 -8.869 4.684 1.00 . A A . 5 LYS HG2 1 1 1 63 1 1 5 LYS HG3 H 4.425 -8.022 6.119 1.00 . A A . 5 LYS HG3 1 1 1 64 1 1 5 LYS HZ1 H 2.241 -6.426 8.239 1.00 . A A . 5 LYS HZ1 1 1 1 65 1 1 5 LYS N N 5.866 -5.318 5.126 1.00 . A A . 5 LYS N 1 1 1 66 1 1 5 LYS NZ N 1.723 -7.254 8.157 1.00 . A A . 5 LYS NZ 1 1 1 67 1 1 5 LYS O O 2.955 -5.229 7.141 1.00 . A A . 5 LYS O 1 1 1 68 1 1 6 PHE C C 4.322 -5.100 9.620 1.00 . A A . 6 PHE C 1 1 1 69 1 1 6 PHE CA C 4.687 -6.424 8.955 1.00 . A A . 6 PHE CA 1 1 1 70 1 1 6 PHE CB C 5.920 -7.028 9.631 1.00 . A A . 6 PHE CB 1 1 1 71 1 1 6 PHE CD1 C 5.033 -9.350 9.978 1.00 . A A . 6 PHE CD1 1 1 1 72 1 1 6 PHE CD2 C 5.877 -8.165 11.868 1.00 . A A . 6 PHE CD2 1 1 1 73 1 1 6 PHE CE1 C 4.740 -10.433 10.783 1.00 . A A . 6 PHE CE1 1 1 1 74 1 1 6 PHE CE2 C 5.586 -9.246 12.679 1.00 . A A . 6 PHE CE2 1 1 1 75 1 1 6 PHE CG C 5.604 -8.205 10.510 1.00 . A A . 6 PHE CG 1 1 1 76 1 1 6 PHE CZ C 5.017 -10.381 12.136 1.00 . A A . 6 PHE CZ 1 1 1 77 1 1 6 PHE H H 5.779 -6.548 7.145 1.00 . A A . 6 PHE H 1 1 1 78 1 1 6 PHE HA H 3.859 -7.107 9.062 1.00 . A A . 6 PHE HA 1 1 1 79 1 1 6 PHE HB2 H 6.613 -7.359 8.871 1.00 . A A . 6 PHE HB2 1 1 1 80 1 1 6 PHE HB3 H 6.396 -6.274 10.241 1.00 . A A . 6 PHE HB3 1 1 1 81 1 1 6 PHE HD1 H 4.816 -9.391 8.920 1.00 . A A . 6 PHE HD1 1 1 1 82 1 1 6 PHE HD2 H 6.322 -7.278 12.293 1.00 . A A . 6 PHE HD2 1 1 1 83 1 1 6 PHE HE1 H 4.295 -11.320 10.356 1.00 . A A . 6 PHE HE1 1 1 1 84 1 1 6 PHE HE2 H 5.804 -9.203 13.736 1.00 . A A . 6 PHE HE2 1 1 1 85 1 1 6 PHE HZ H 4.789 -11.227 12.768 1.00 . A A . 6 PHE HZ 1 1 1 86 1 1 6 PHE N N 4.932 -6.236 7.528 1.00 . A A . 6 PHE N 1 1 1 87 1 1 6 PHE O O 3.410 -5.036 10.445 1.00 . A A . 6 PHE O 1 1 1 88 1 1 7 THR C C 3.615 -2.044 9.115 1.00 . A A . 7 THR C 1 1 1 89 1 1 7 THR CA C 4.796 -2.722 9.805 1.00 . A A . 7 THR CA 1 1 1 90 1 1 7 THR CB C 6.040 -1.822 9.675 1.00 . A A . 7 THR CB 1 1 1 91 1 1 7 THR CG2 C 6.869 -1.858 10.951 1.00 . A A . 7 THR CG2 1 1 1 92 1 1 7 THR H H 5.751 -4.162 8.586 1.00 . A A . 7 THR H 1 1 1 93 1 1 7 THR HA H 4.568 -2.838 10.854 1.00 . A A . 7 THR HA 1 1 1 94 1 1 7 THR HB H 5.716 -0.806 9.503 1.00 . A A . 7 THR HB 1 1 1 95 1 1 7 THR HG1 H 7.356 -3.019 8.819 1.00 . A A . 7 THR HG1 1 1 1 96 1 1 7 THR HG21 H 7.680 -2.562 10.833 1.00 . A A . 7 THR HG21 1 1 1 97 1 1 7 THR HG22 H 6.245 -2.163 11.777 1.00 . A A . 7 THR HG22 1 1 1 98 1 1 7 THR HG23 H 7.272 -0.875 11.146 1.00 . A A . 7 THR HG23 1 1 1 99 1 1 7 THR N N 5.040 -4.046 9.250 1.00 . A A . 7 THR N 1 1 1 100 1 1 7 THR O O 2.967 -1.169 9.690 1.00 . A A . 7 THR O 1 1 1 101 1 1 7 THR OG1 O 6.841 -2.249 8.566 1.00 . A A . 7 THR OG1 1 1 1 102 1 1 8 SER C C 0.905 -2.125 7.810 1.00 . A A . 8 SER C 1 1 1 103 1 1 8 SER CA C 2.240 -1.881 7.113 1.00 . A A . 8 SER CA 1 1 1 104 1 1 8 SER CB C 2.210 -2.475 5.704 1.00 . A A . 8 SER CB 1 1 1 105 1 1 8 SER H H 3.894 -3.151 7.472 1.00 . A A . 8 SER H 1 1 1 106 1 1 8 SER HA H 2.404 -0.816 7.041 1.00 . A A . 8 SER HA 1 1 1 107 1 1 8 SER HB2 H 2.054 -3.541 5.768 1.00 . A A . 8 SER HB2 1 1 1 108 1 1 8 SER HB3 H 1.404 -2.026 5.143 1.00 . A A . 8 SER HB3 1 1 1 109 1 1 8 SER HG H 4.139 -2.716 5.453 1.00 . A A . 8 SER HG 1 1 1 110 1 1 8 SER N N 3.342 -2.451 7.879 1.00 . A A . 8 SER N 1 1 1 111 1 1 8 SER O O 0.082 -1.216 7.930 1.00 . A A . 8 SER O 1 1 1 112 1 1 8 SER OG O 3.429 -2.233 5.022 1.00 . A A . 8 SER OG 1 1 1 113 1 1 9 GLU C C -0.479 -3.353 10.427 1.00 . A A . 9 GLU C 1 1 1 114 1 1 9 GLU CA C -0.543 -3.719 8.948 1.00 . A A . 9 GLU CA 1 1 1 115 1 1 9 GLU CB C -0.827 -5.216 8.787 1.00 . A A . 9 GLU CB 1 1 1 116 1 1 9 GLU CD C 0.550 -7.335 8.775 1.00 . A A . 9 GLU CD 1 1 1 117 1 1 9 GLU CG C 0.128 -6.110 9.562 1.00 . A A . 9 GLU CG 1 1 1 118 1 1 9 GLU H H 1.387 -4.039 8.138 1.00 . A A . 9 GLU H 1 1 1 119 1 1 9 GLU HA H -1.345 -3.160 8.489 1.00 . A A . 9 GLU HA 1 1 1 120 1 1 9 GLU HB2 H -1.831 -5.418 9.130 1.00 . A A . 9 GLU HB2 1 1 1 121 1 1 9 GLU HB3 H -0.757 -5.473 7.740 1.00 . A A . 9 GLU HB3 1 1 1 122 1 1 9 GLU HG2 H 1.011 -5.541 9.811 1.00 . A A . 9 GLU HG2 1 1 1 123 1 1 9 GLU HG3 H -0.359 -6.433 10.470 1.00 . A A . 9 GLU HG3 1 1 1 124 1 1 9 GLU N N 0.695 -3.358 8.265 1.00 . A A . 9 GLU N 1 1 1 125 1 1 9 GLU O O -1.486 -2.976 11.027 1.00 . A A . 9 GLU O 1 1 1 126 1 1 9 GLU OE1 O -0.251 -8.236 8.530 1.00 . A A . 9 GLU OE1 1 1 1 127 1 1 10 PHE C C 0.603 -1.668 12.680 1.00 . A A . 10 PHE C 1 1 1 128 1 1 10 PHE CA C 0.899 -3.142 12.421 1.00 . A A . 10 PHE CA 1 1 1 129 1 1 10 PHE CB C 2.326 -3.477 12.856 1.00 . A A . 10 PHE CB 1 1 1 130 1 1 10 PHE CD1 C 2.130 -5.978 12.777 1.00 . A A . 10 PHE CD1 1 1 1 131 1 1 10 PHE CD2 C 2.897 -4.965 14.795 1.00 . A A . 10 PHE CD2 1 1 1 132 1 1 10 PHE CE1 C 2.246 -7.227 13.356 1.00 . A A . 10 PHE CE1 1 1 1 133 1 1 10 PHE CE2 C 3.015 -6.211 15.380 1.00 . A A . 10 PHE CE2 1 1 1 134 1 1 10 PHE CG C 2.454 -4.834 13.489 1.00 . A A . 10 PHE CG 1 1 1 135 1 1 10 PHE CZ C 2.688 -7.344 14.660 1.00 . A A . 10 PHE CZ 1 1 1 136 1 1 10 PHE H H 1.477 -3.768 10.482 1.00 . A A . 10 PHE H 1 1 1 137 1 1 10 PHE HA H 0.206 -3.741 12.993 1.00 . A A . 10 PHE HA 1 1 1 138 1 1 10 PHE HB2 H 2.974 -3.451 11.993 1.00 . A A . 10 PHE HB2 1 1 1 139 1 1 10 PHE HB3 H 2.659 -2.742 13.574 1.00 . A A . 10 PHE HB3 1 1 1 140 1 1 10 PHE HD1 H 1.784 -5.887 11.758 1.00 . A A . 10 PHE HD1 1 1 1 141 1 1 10 PHE HD2 H 3.152 -4.080 15.360 1.00 . A A . 10 PHE HD2 1 1 1 142 1 1 10 PHE HE1 H 1.990 -8.111 12.791 1.00 . A A . 10 PHE HE1 1 1 1 143 1 1 10 PHE HE2 H 3.361 -6.300 16.399 1.00 . A A . 10 PHE HE2 1 1 1 144 1 1 10 PHE HZ H 2.779 -8.319 15.114 1.00 . A A . 10 PHE HZ 1 1 1 145 1 1 10 PHE N N 0.710 -3.464 11.011 1.00 . A A . 10 PHE N 1 1 1 146 1 1 10 PHE O O -0.214 -1.330 13.537 1.00 . A A . 10 PHE O 1 1 1 147 1 1 11 . C C 0.736 1.271 10.720 1.00 . A A . 11 PH8 C 1 1 1 148 1 1 11 . CA C 1.072 0.641 12.068 1.00 . A A . 11 PH8 CA 1 1 1 149 1 1 11 . CB C 2.325 1.295 12.655 1.00 . A A . 11 PH8 CB 1 1 1 150 1 1 11 . CD1 C 4.907 -1.192 14.240 1.00 . A A . 11 PH8 CD1 1 1 1 151 1 1 11 . CD2 C 5.388 1.139 14.088 1.00 . A A . 11 PH8 CD2 1 1 1 152 1 1 11 . CE1 C 5.374 -1.207 15.540 1.00 . A A . 11 PH8 CE1 1 1 1 153 1 1 11 . CE2 C 5.857 1.130 15.388 1.00 . A A . 11 PH8 CE2 1 1 1 154 1 1 11 . CG C 4.908 -0.020 13.500 1.00 . A A . 11 PH8 CG 1 1 1 155 1 1 11 . CI C 3.543 1.203 11.750 1.00 . A A . 11 PH8 CI 1 1 1 156 1 1 11 . CJ C 4.398 -0.008 12.086 1.00 . A A . 11 PH8 CJ 1 1 1 157 1 1 11 . CZ C 5.850 -0.045 16.115 1.00 . A A . 11 PH8 CZ 1 1 1 158 1 1 11 . HA H 0.244 0.799 12.743 1.00 . A A . 11 PH8 HA 1 1 1 159 1 1 11 . HB H 2.119 2.340 12.838 1.00 . A A . 11 PH8 HB 1 1 1 160 1 1 11 . HBA H 2.563 0.815 13.592 1.00 . A A . 11 PH8 HBA 1 1 1 161 1 1 11 . HD1 H 4.535 -2.101 13.791 1.00 . A A . 11 PH8 HD1 1 1 1 162 1 1 11 . HD2 H 5.393 2.058 13.521 1.00 . A A . 11 PH8 HD2 1 1 1 163 1 1 11 . HE1 H 5.368 -2.127 16.106 1.00 . A A . 11 PH8 HE1 1 1 1 164 1 1 11 . HE2 H 6.228 2.040 15.836 1.00 . A A . 11 PH8 HE2 1 1 1 165 1 1 11 . HI H 3.213 1.124 10.724 1.00 . A A . 11 PH8 HI 1 1 1 166 1 1 11 . HIA H 4.138 2.096 11.871 1.00 . A A . 11 PH8 HIA 1 1 1 167 1 1 11 . HJ H 5.250 -0.025 11.423 1.00 . A A . 11 PH8 HJ 1 1 1 168 1 1 11 . HJA H 3.809 -0.901 11.934 1.00 . A A . 11 PH8 HJA 1 1 1 169 1 1 11 . HN H 1.900 -1.130 11.259 1.00 . A A . 11 PH8 HN 1 1 1 170 1 1 11 . HZ H 6.216 -0.054 17.131 1.00 . A A . 11 PH8 HZ 1 1 1 171 1 1 11 . N N 1.267 -0.797 11.929 1.00 . A A . 11 PH8 N 1 1 1 172 1 1 11 . O O 1.048 2.435 10.472 1.00 . A A . 11 PH8 O 1 1 1 173 1 1 12 NH2 HN1 H -0.110 -0.424 10.114 1.00 . A A . 12 NH2 HN1 1 1 1 174 1 1 12 NH2 HN2 H -0.110 0.865 8.965 1.00 . A A . 12 NH2 HN2 1 1 1 175 1 1 12 NH2 N N 0.107 0.493 9.845 1.00 . A A . 12 NH2 N 1 1 2 176 1 1 1 HIS C C 8.373 -7.233 0.941 1.00 . A A . 1 HIS C 1 1 2 177 1 1 1 HIS CA C 7.960 -5.904 0.316 1.00 . A A . 1 HIS CA 1 1 2 178 1 1 1 HIS CB C 6.690 -6.084 -0.519 1.00 . A A . 1 HIS CB 1 1 2 179 1 1 1 HIS CD2 C 4.867 -5.050 1.012 1.00 . A A . 1 HIS CD2 1 1 2 180 1 1 1 HIS CE1 C 3.563 -6.804 1.186 1.00 . A A . 1 HIS CE1 1 1 2 181 1 1 1 HIS CG C 5.430 -6.049 0.290 1.00 . A A . 1 HIS CG 1 1 2 182 1 1 1 HIS H1 H 8.857 -4.363 -0.766 1.00 . A A . 1 HIS H1 1 1 2 183 1 1 1 HIS H2 H 9.055 -5.893 -1.459 1.00 . A A . 1 HIS H2 1 1 2 184 1 1 1 HIS H3 H 9.956 -5.461 -0.095 1.00 . A A . 1 HIS H3 1 1 2 185 1 1 1 HIS HA H 7.770 -5.189 1.102 1.00 . A A . 1 HIS HA 1 1 2 186 1 1 1 HIS HB2 H 6.635 -5.294 -1.252 1.00 . A A . 1 HIS HB2 1 1 2 187 1 1 1 HIS HB3 H 6.734 -7.037 -1.026 1.00 . A A . 1 HIS HB3 1 1 2 188 1 1 1 HIS HD1 H 4.721 -8.014 0.010 1.00 . A A . 1 HIS HD1 1 1 2 189 1 1 1 HIS HD2 H 5.257 -4.050 1.135 1.00 . A A . 1 HIS HD2 1 1 2 190 1 1 1 HIS HE1 H 2.745 -7.454 1.461 1.00 . A A . 1 HIS HE1 1 1 2 191 1 1 1 HIS HE2 H 3.049 -5.026 2.063 1.00 . A A . 1 HIS HE2 1 1 2 192 1 1 1 HIS N N 9.032 -5.368 -0.562 1.00 . A A . 1 HIS N 1 1 2 193 1 1 1 HIS ND1 N 4.588 -7.134 0.420 1.00 . A A . 1 HIS ND1 1 1 2 194 1 1 1 HIS NE2 N 3.709 -5.546 1.558 1.00 . A A . 1 HIS NE2 1 1 2 195 1 1 1 HIS O O 8.551 -8.231 0.242 1.00 . A A . 1 HIS O 1 1 2 196 1 1 2 ABA C C 9.024 -8.119 4.485 1.00 . A A . 2 AIB C 1 1 2 197 1 1 2 ABA CA C 8.915 -8.445 2.992 1.00 . A A . 2 AIB CA 1 1 2 198 1 1 2 ABA H H 8.365 -6.409 2.763 1.00 . A A . 2 AIB H 1 1 2 199 1 1 2 ABA N N 8.522 -7.237 2.263 1.00 . A A . 2 AIB N 1 1 2 200 1 1 2 ABA O O 8.115 -8.413 5.261 1.00 . A A . 2 AIB O 1 1 2 201 1 1 3 GLU C C 9.482 -5.957 6.664 1.00 . A A . 3 GLU C 1 1 2 202 1 1 3 GLU CA C 10.358 -7.142 6.272 1.00 . A A . 3 GLU CA 1 1 2 203 1 1 3 GLU CB C 11.832 -6.804 6.507 1.00 . A A . 3 GLU CB 1 1 2 204 1 1 3 GLU CD C 12.522 -9.218 6.236 1.00 . A A . 3 GLU CD 1 1 2 205 1 1 3 GLU CG C 12.793 -7.779 5.846 1.00 . A A . 3 GLU CG 1 1 2 206 1 1 3 GLU H H 10.826 -7.295 4.213 1.00 . A A . 3 GLU H 1 1 2 207 1 1 3 GLU HA H 10.089 -7.990 6.883 1.00 . A A . 3 GLU HA 1 1 2 208 1 1 3 GLU HB2 H 12.030 -5.816 6.117 1.00 . A A . 3 GLU HB2 1 1 2 209 1 1 3 GLU HB3 H 12.024 -6.807 7.570 1.00 . A A . 3 GLU HB3 1 1 2 210 1 1 3 GLU HG2 H 12.697 -7.688 4.775 1.00 . A A . 3 GLU HG2 1 1 2 211 1 1 3 GLU HG3 H 13.801 -7.525 6.140 1.00 . A A . 3 GLU HG3 1 1 2 212 1 1 3 GLU N N 10.138 -7.507 4.877 1.00 . A A . 3 GLU N 1 1 2 213 1 1 3 GLU O O 9.054 -5.842 7.813 1.00 . A A . 3 GLU O 1 1 2 214 1 1 3 GLU OE1 O 12.191 -9.462 7.415 1.00 . A A . 3 GLU OE1 1 1 2 215 1 1 3 GLU OE2 O 12.641 -10.103 5.362 1.00 . A A . 3 GLU OE2 1 1 2 216 1 1 4 GLY C C 6.914 -4.259 6.044 1.00 . A A . 4 GLY C 1 1 2 217 1 1 4 GLY CA C 8.390 -3.918 5.965 1.00 . A A . 4 GLY CA 1 1 2 218 1 1 4 GLY H H 9.584 -5.226 4.805 1.00 . A A . 4 GLY H 1 1 2 219 1 1 4 GLY HA2 H 8.697 -3.477 6.902 1.00 . A A . 4 GLY HA2 1 1 2 220 1 1 4 GLY HA3 H 8.540 -3.198 5.175 1.00 . A A . 4 GLY HA3 1 1 2 221 1 1 4 GLY N N 9.217 -5.081 5.702 1.00 . A A . 4 GLY N 1 1 2 222 1 1 4 GLY O O 6.110 -3.450 6.508 1.00 . A A . 4 GLY O 1 1 2 223 1 1 5 LYS C C 4.626 -5.908 7.045 1.00 . A A . 5 LYS C 1 1 2 224 1 1 5 LYS CA C 5.163 -5.893 5.615 1.00 . A A . 5 LYS CA 1 1 2 225 1 1 5 LYS CB C 5.029 -7.279 4.957 1.00 . A A . 5 LYS CB 1 1 2 226 1 1 5 LYS CD C 3.230 -8.452 6.274 1.00 . A A . 5 LYS CD 1 1 2 227 1 1 5 LYS CE C 3.011 -8.646 7.767 1.00 . A A . 5 LYS CE 1 1 2 228 1 1 5 LYS CG C 4.710 -8.417 5.921 1.00 . A A . 5 LYS CG 1 1 2 229 1 1 5 LYS H H 7.237 -6.061 5.231 1.00 . A A . 5 LYS H 1 1 2 230 1 1 5 LYS HA H 4.589 -5.180 5.042 1.00 . A A . 5 LYS HA 1 1 2 231 1 1 5 LYS HB2 H 4.241 -7.236 4.221 1.00 . A A . 5 LYS HB2 1 1 2 232 1 1 5 LYS HB3 H 5.958 -7.513 4.457 1.00 . A A . 5 LYS HB3 1 1 2 233 1 1 5 LYS HD2 H 2.777 -7.519 5.974 1.00 . A A . 5 LYS HD2 1 1 2 234 1 1 5 LYS HD3 H 2.764 -9.268 5.742 1.00 . A A . 5 LYS HD3 1 1 2 235 1 1 5 LYS HE2 H 2.451 -9.556 7.920 1.00 . A A . 5 LYS HE2 1 1 2 236 1 1 5 LYS HE3 H 3.972 -8.730 8.253 1.00 . A A . 5 LYS HE3 1 1 2 237 1 1 5 LYS HG2 H 4.979 -9.354 5.456 1.00 . A A . 5 LYS HG2 1 1 2 238 1 1 5 LYS HG3 H 5.286 -8.286 6.824 1.00 . A A . 5 LYS HG3 1 1 2 239 1 1 5 LYS HZ1 H 2.738 -6.672 8.435 1.00 . A A . 5 LYS HZ1 1 1 2 240 1 1 5 LYS N N 6.554 -5.457 5.590 1.00 . A A . 5 LYS N 1 1 2 241 1 1 5 LYS NZ N 2.276 -7.532 8.360 1.00 . A A . 5 LYS NZ 1 1 2 242 1 1 5 LYS O O 3.474 -5.550 7.289 1.00 . A A . 5 LYS O 1 1 2 243 1 1 6 PHE C C 4.519 -5.049 9.863 1.00 . A A . 6 PHE C 1 1 2 244 1 1 6 PHE CA C 5.081 -6.386 9.392 1.00 . A A . 6 PHE CA 1 1 2 245 1 1 6 PHE CB C 6.279 -6.787 10.257 1.00 . A A . 6 PHE CB 1 1 2 246 1 1 6 PHE CD1 C 4.820 -8.003 11.897 1.00 . A A . 6 PHE CD1 1 1 2 247 1 1 6 PHE CD2 C 6.904 -8.988 11.288 1.00 . A A . 6 PHE CD2 1 1 2 248 1 1 6 PHE CE1 C 4.555 -9.071 12.732 1.00 . A A . 6 PHE CE1 1 1 2 249 1 1 6 PHE CE2 C 6.645 -10.059 12.122 1.00 . A A . 6 PHE CE2 1 1 2 250 1 1 6 PHE CG C 5.996 -7.949 11.166 1.00 . A A . 6 PHE CG 1 1 2 251 1 1 6 PHE CZ C 5.469 -10.101 12.845 1.00 . A A . 6 PHE CZ 1 1 2 252 1 1 6 PHE H H 6.376 -6.595 7.729 1.00 . A A . 6 PHE H 1 1 2 253 1 1 6 PHE HA H 4.314 -7.138 9.488 1.00 . A A . 6 PHE HA 1 1 2 254 1 1 6 PHE HB2 H 7.102 -7.060 9.615 1.00 . A A . 6 PHE HB2 1 1 2 255 1 1 6 PHE HB3 H 6.570 -5.947 10.871 1.00 . A A . 6 PHE HB3 1 1 2 256 1 1 6 PHE HD1 H 4.104 -7.198 11.809 1.00 . A A . 6 PHE HD1 1 1 2 257 1 1 6 PHE HD2 H 7.825 -8.956 10.723 1.00 . A A . 6 PHE HD2 1 1 2 258 1 1 6 PHE HE1 H 3.634 -9.101 13.296 1.00 . A A . 6 PHE HE1 1 1 2 259 1 1 6 PHE HE2 H 7.361 -10.863 12.208 1.00 . A A . 6 PHE HE2 1 1 2 260 1 1 6 PHE HZ H 5.264 -10.937 13.497 1.00 . A A . 6 PHE HZ 1 1 2 261 1 1 6 PHE N N 5.470 -6.323 7.986 1.00 . A A . 6 PHE N 1 1 2 262 1 1 6 PHE O O 3.421 -4.986 10.417 1.00 . A A . 6 PHE O 1 1 2 263 1 1 7 THR C C 3.820 -2.075 9.062 1.00 . A A . 7 THR C 1 1 2 264 1 1 7 THR CA C 4.851 -2.646 10.035 1.00 . A A . 7 THR CA 1 1 2 265 1 1 7 THR CB C 6.046 -1.679 10.123 1.00 . A A . 7 THR CB 1 1 2 266 1 1 7 THR CG2 C 5.842 -0.666 11.240 1.00 . A A . 7 THR CG2 1 1 2 267 1 1 7 THR H H 6.141 -4.095 9.189 1.00 . A A . 7 THR H 1 1 2 268 1 1 7 THR HA H 4.402 -2.719 11.015 1.00 . A A . 7 THR HA 1 1 2 269 1 1 7 THR HB H 6.130 -1.147 9.187 1.00 . A A . 7 THR HB 1 1 2 270 1 1 7 THR HG1 H 7.993 -1.802 10.424 1.00 . A A . 7 THR HG1 1 1 2 271 1 1 7 THR HG21 H 5.105 0.062 10.935 1.00 . A A . 7 THR HG21 1 1 2 272 1 1 7 THR HG22 H 6.777 -0.166 11.448 1.00 . A A . 7 THR HG22 1 1 2 273 1 1 7 THR HG23 H 5.500 -1.174 12.129 1.00 . A A . 7 THR HG23 1 1 2 274 1 1 7 THR N N 5.276 -3.982 9.637 1.00 . A A . 7 THR N 1 1 2 275 1 1 7 THR O O 3.176 -1.067 9.350 1.00 . A A . 7 THR O 1 1 2 276 1 1 7 THR OG1 O 7.255 -2.413 10.354 1.00 . A A . 7 THR OG1 1 1 2 277 1 1 8 SER C C 1.283 -2.552 7.332 1.00 . A A . 8 SER C 1 1 2 278 1 1 8 SER CA C 2.719 -2.272 6.898 1.00 . A A . 8 SER CA 1 1 2 279 1 1 8 SER CB C 3.005 -2.956 5.558 1.00 . A A . 8 SER CB 1 1 2 280 1 1 8 SER H H 4.211 -3.519 7.730 1.00 . A A . 8 SER H 1 1 2 281 1 1 8 SER HA H 2.844 -1.206 6.780 1.00 . A A . 8 SER HA 1 1 2 282 1 1 8 SER HB2 H 2.668 -2.321 4.753 1.00 . A A . 8 SER HB2 1 1 2 283 1 1 8 SER HB3 H 4.068 -3.123 5.463 1.00 . A A . 8 SER HB3 1 1 2 284 1 1 8 SER HG H 2.440 -4.685 6.288 1.00 . A A . 8 SER HG 1 1 2 285 1 1 8 SER N N 3.670 -2.722 7.908 1.00 . A A . 8 SER N 1 1 2 286 1 1 8 SER O O 0.383 -1.749 7.085 1.00 . A A . 8 SER O 1 1 2 287 1 1 8 SER OG O 2.337 -4.203 5.464 1.00 . A A . 8 SER OG 1 1 2 288 1 1 9 GLU C C -0.506 -3.579 9.861 1.00 . A A . 9 GLU C 1 1 2 289 1 1 9 GLU CA C -0.256 -4.079 8.442 1.00 . A A . 9 GLU CA 1 1 2 290 1 1 9 GLU CB C -0.428 -5.599 8.381 1.00 . A A . 9 GLU CB 1 1 2 291 1 1 9 GLU CD C 1.025 -7.623 8.798 1.00 . A A . 9 GLU CD 1 1 2 292 1 1 9 GLU CG C 0.432 -6.355 9.382 1.00 . A A . 9 GLU CG 1 1 2 293 1 1 9 GLU H H 1.830 -4.297 8.145 1.00 . A A . 9 GLU H 1 1 2 294 1 1 9 GLU HA H -0.977 -3.620 7.783 1.00 . A A . 9 GLU HA 1 1 2 295 1 1 9 GLU HB2 H -1.462 -5.840 8.577 1.00 . A A . 9 GLU HB2 1 1 2 296 1 1 9 GLU HB3 H -0.170 -5.939 7.389 1.00 . A A . 9 GLU HB3 1 1 2 297 1 1 9 GLU HG2 H 1.239 -5.713 9.701 1.00 . A A . 9 GLU HG2 1 1 2 298 1 1 9 GLU HG3 H -0.176 -6.618 10.234 1.00 . A A . 9 GLU HG3 1 1 2 299 1 1 9 GLU N N 1.074 -3.696 7.978 1.00 . A A . 9 GLU N 1 1 2 300 1 1 9 GLU O O -1.628 -3.214 10.212 1.00 . A A . 9 GLU O 1 1 2 301 1 1 9 GLU OE1 O 0.546 -8.725 9.063 1.00 . A A . 9 GLU OE1 1 1 2 302 1 1 10 PHE C C 0.136 -1.607 12.097 1.00 . A A . 10 PHE C 1 1 2 303 1 1 10 PHE CA C 0.437 -3.101 12.052 1.00 . A A . 10 PHE CA 1 1 2 304 1 1 10 PHE CB C 1.728 -3.397 12.817 1.00 . A A . 10 PHE CB 1 1 2 305 1 1 10 PHE CD1 C 1.226 -2.197 14.962 1.00 . A A . 10 PHE CD1 1 1 2 306 1 1 10 PHE CD2 C 1.737 -4.524 15.059 1.00 . A A . 10 PHE CD2 1 1 2 307 1 1 10 PHE CE1 C 1.070 -2.171 16.335 1.00 . A A . 10 PHE CE1 1 1 2 308 1 1 10 PHE CE2 C 1.583 -4.504 16.433 1.00 . A A . 10 PHE CE2 1 1 2 309 1 1 10 PHE CG C 1.561 -3.372 14.309 1.00 . A A . 10 PHE CG 1 1 2 310 1 1 10 PHE CZ C 1.249 -3.326 17.071 1.00 . A A . 10 PHE CZ 1 1 2 311 1 1 10 PHE H H 1.416 -3.861 10.336 1.00 . A A . 10 PHE H 1 1 2 312 1 1 10 PHE HA H -0.378 -3.635 12.517 1.00 . A A . 10 PHE HA 1 1 2 313 1 1 10 PHE HB2 H 2.086 -4.377 12.539 1.00 . A A . 10 PHE HB2 1 1 2 314 1 1 10 PHE HB3 H 2.472 -2.659 12.553 1.00 . A A . 10 PHE HB3 1 1 2 315 1 1 10 PHE HD1 H 1.086 -1.293 14.388 1.00 . A A . 10 PHE HD1 1 1 2 316 1 1 10 PHE HD2 H 1.998 -5.446 14.561 1.00 . A A . 10 PHE HD2 1 1 2 317 1 1 10 PHE HE1 H 0.810 -1.248 16.832 1.00 . A A . 10 PHE HE1 1 1 2 318 1 1 10 PHE HE2 H 1.723 -5.409 17.006 1.00 . A A . 10 PHE HE2 1 1 2 319 1 1 10 PHE HZ H 1.128 -3.308 18.144 1.00 . A A . 10 PHE HZ 1 1 2 320 1 1 10 PHE N N 0.546 -3.561 10.673 1.00 . A A . 10 PHE N 1 1 2 321 1 1 10 PHE O O -0.627 -1.140 12.942 1.00 . A A . 10 PHE O 1 1 2 322 1 1 11 . C C 0.495 1.035 9.644 1.00 . A A . 11 PH8 C 1 1 2 323 1 1 11 . CA C 0.540 0.577 11.099 1.00 . A A . 11 PH8 CA 1 1 2 324 1 1 11 . CB C 1.656 1.311 11.844 1.00 . A A . 11 PH8 CB 1 1 2 325 1 1 11 . CD1 C 1.281 3.160 15.765 1.00 . A A . 11 PH8 CD1 1 1 2 326 1 1 11 . CD2 C 1.659 4.960 14.247 1.00 . A A . 11 PH8 CD2 1 1 2 327 1 1 11 . CE1 C 1.897 3.878 16.774 1.00 . A A . 11 PH8 CE1 1 1 2 328 1 1 11 . CE2 C 2.275 5.682 15.251 1.00 . A A . 11 PH8 CE2 1 1 2 329 1 1 11 . CG C 1.156 3.692 14.492 1.00 . A A . 11 PH8 CG 1 1 2 330 1 1 11 . CI C 1.334 2.767 12.143 1.00 . A A . 11 PH8 CI 1 1 2 331 1 1 11 . CJ C 0.487 2.910 13.398 1.00 . A A . 11 PH8 CJ 1 1 2 332 1 1 11 . CZ C 2.394 5.141 16.516 1.00 . A A . 11 PH8 CZ 1 1 2 333 1 1 11 . HA H -0.406 0.806 11.566 1.00 . A A . 11 PH8 HA 1 1 2 334 1 1 11 . HB H 1.840 0.806 12.781 1.00 . A A . 11 PH8 HB 1 1 2 335 1 1 11 . HBA H 2.555 1.279 11.246 1.00 . A A . 11 PH8 HBA 1 1 2 336 1 1 11 . HD1 H 0.893 2.173 15.968 1.00 . A A . 11 PH8 HD1 1 1 2 337 1 1 11 . HD2 H 1.566 5.385 13.258 1.00 . A A . 11 PH8 HD2 1 1 2 338 1 1 11 . HE1 H 1.988 3.452 17.762 1.00 . A A . 11 PH8 HE1 1 1 2 339 1 1 11 . HE2 H 2.663 6.670 15.047 1.00 . A A . 11 PH8 HE2 1 1 2 340 1 1 11 . HI H 2.259 3.308 12.282 1.00 . A A . 11 PH8 HI 1 1 2 341 1 1 11 . HIA H 0.793 3.185 11.307 1.00 . A A . 11 PH8 HIA 1 1 2 342 1 1 11 . HJ H 0.263 1.925 13.780 1.00 . A A . 11 PH8 HJ 1 1 2 343 1 1 11 . HJA H -0.433 3.412 13.140 1.00 . A A . 11 PH8 HJA 1 1 2 344 1 1 11 . HN H 1.335 -1.298 10.529 1.00 . A A . 11 PH8 HN 1 1 2 345 1 1 11 . HZ H 2.875 5.703 17.302 1.00 . A A . 11 PH8 HZ 1 1 2 346 1 1 11 . N N 0.741 -0.864 11.176 1.00 . A A . 11 PH8 N 1 1 2 347 1 1 11 . O O 0.893 2.154 9.322 1.00 . A A . 11 PH8 O 1 1 2 348 1 1 12 NH2 HN1 H -0.283 -0.711 9.096 1.00 . A A . 12 NH2 HN1 1 1 2 349 1 1 12 NH2 HN2 H -0.014 0.422 7.821 1.00 . A A . 12 NH2 HN2 1 1 2 350 1 1 12 NH2 N N 0.017 0.161 8.765 1.00 . A A . 12 NH2 N 1 1 3 351 1 1 1 HIS C C 7.887 -7.604 1.292 1.00 . A A . 1 HIS C 1 1 3 352 1 1 1 HIS CA C 7.609 -6.373 0.435 1.00 . A A . 1 HIS CA 1 1 3 353 1 1 1 HIS CB C 6.197 -6.443 -0.149 1.00 . A A . 1 HIS CB 1 1 3 354 1 1 1 HIS CD2 C 3.860 -6.379 0.976 1.00 . A A . 1 HIS CD2 1 1 3 355 1 1 1 HIS CE1 C 4.225 -4.734 2.378 1.00 . A A . 1 HIS CE1 1 1 3 356 1 1 1 HIS CG C 5.136 -5.964 0.792 1.00 . A A . 1 HIS CG 1 1 3 357 1 1 1 HIS H1 H 8.676 -7.187 -1.162 1.00 . A A . 1 HIS H1 1 1 3 358 1 1 1 HIS H2 H 9.512 -5.980 -0.324 1.00 . A A . 1 HIS H2 1 1 3 359 1 1 1 HIS H3 H 8.255 -5.562 -1.375 1.00 . A A . 1 HIS H3 1 1 3 360 1 1 1 HIS HA H 7.696 -5.489 1.050 1.00 . A A . 1 HIS HA 1 1 3 361 1 1 1 HIS HB2 H 6.152 -5.832 -1.038 1.00 . A A . 1 HIS HB2 1 1 3 362 1 1 1 HIS HB3 H 5.974 -7.467 -0.410 1.00 . A A . 1 HIS HB3 1 1 3 363 1 1 1 HIS HD1 H 6.163 -4.423 1.798 1.00 . A A . 1 HIS HD1 1 1 3 364 1 1 1 HIS HD2 H 3.363 -7.177 0.442 1.00 . A A . 1 HIS HD2 1 1 3 365 1 1 1 HIS HE1 H 4.086 -3.990 3.148 1.00 . A A . 1 HIS HE1 1 1 3 366 1 1 1 HIS HE2 H 2.434 -5.727 2.372 1.00 . A A . 1 HIS HE2 1 1 3 367 1 1 1 HIS N N 8.581 -6.268 -0.684 1.00 . A A . 1 HIS N 1 1 3 368 1 1 1 HIS ND1 N 5.333 -4.933 1.686 1.00 . A A . 1 HIS ND1 1 1 3 369 1 1 1 HIS NE2 N 3.317 -5.599 1.966 1.00 . A A . 1 HIS NE2 1 1 3 370 1 1 1 HIS O O 7.785 -8.736 0.820 1.00 . A A . 1 HIS O 1 1 3 371 1 1 2 ABA C C 8.890 -7.894 4.852 1.00 . A A . 2 AIB C 1 1 3 372 1 1 2 ABA CA C 8.530 -8.471 3.481 1.00 . A A . 2 AIB CA 1 1 3 373 1 1 2 ABA H H 8.301 -6.451 2.873 1.00 . A A . 2 AIB H 1 1 3 374 1 1 2 ABA N N 8.237 -7.375 2.554 1.00 . A A . 2 AIB N 1 1 3 375 1 1 2 ABA O O 8.080 -7.920 5.780 1.00 . A A . 2 AIB O 1 1 3 376 1 1 3 GLU C C 9.747 -5.565 6.594 1.00 . A A . 3 GLU C 1 1 3 377 1 1 3 GLU CA C 10.573 -6.791 6.223 1.00 . A A . 3 GLU CA 1 1 3 378 1 1 3 GLU CB C 12.052 -6.415 6.117 1.00 . A A . 3 GLU CB 1 1 3 379 1 1 3 GLU CD C 13.957 -7.022 4.571 1.00 . A A . 3 GLU CD 1 1 3 380 1 1 3 GLU CG C 12.924 -7.528 5.559 1.00 . A A . 3 GLU CG 1 1 3 381 1 1 3 GLU H H 10.707 -7.380 4.195 1.00 . A A . 3 GLU H 1 1 3 382 1 1 3 GLU HA H 10.454 -7.534 6.997 1.00 . A A . 3 GLU HA 1 1 3 383 1 1 3 GLU HB2 H 12.147 -5.554 5.471 1.00 . A A . 3 GLU HB2 1 1 3 384 1 1 3 GLU HB3 H 12.418 -6.158 7.100 1.00 . A A . 3 GLU HB3 1 1 3 385 1 1 3 GLU HG2 H 13.438 -8.009 6.378 1.00 . A A . 3 GLU HG2 1 1 3 386 1 1 3 GLU HG3 H 12.292 -8.248 5.060 1.00 . A A . 3 GLU HG3 1 1 3 387 1 1 3 GLU N N 10.107 -7.373 4.970 1.00 . A A . 3 GLU N 1 1 3 388 1 1 3 GLU O O 9.536 -5.280 7.773 1.00 . A A . 3 GLU O 1 1 3 389 1 1 3 GLU OE1 O 13.635 -6.937 3.367 1.00 . A A . 3 GLU OE1 1 1 3 390 1 1 3 GLU OE2 O 15.088 -6.711 5.001 1.00 . A A . 3 GLU OE2 1 1 3 391 1 1 4 GLY C C 7.011 -3.978 6.010 1.00 . A A . 4 GLY C 1 1 3 392 1 1 4 GLY CA C 8.481 -3.659 5.826 1.00 . A A . 4 GLY CA 1 1 3 393 1 1 4 GLY H H 9.479 -5.118 4.662 1.00 . A A . 4 GLY H 1 1 3 394 1 1 4 GLY HA2 H 8.846 -3.172 6.719 1.00 . A A . 4 GLY HA2 1 1 3 395 1 1 4 GLY HA3 H 8.590 -2.983 4.993 1.00 . A A . 4 GLY HA3 1 1 3 396 1 1 4 GLY N N 9.280 -4.843 5.581 1.00 . A A . 4 GLY N 1 1 3 397 1 1 4 GLY O O 6.275 -3.202 6.619 1.00 . A A . 4 GLY O 1 1 3 398 1 1 5 LYS C C 4.768 -5.588 7.071 1.00 . A A . 5 LYS C 1 1 3 399 1 1 5 LYS CA C 5.182 -5.530 5.609 1.00 . A A . 5 LYS CA 1 1 3 400 1 1 5 LYS CB C 4.953 -6.894 4.956 1.00 . A A . 5 LYS CB 1 1 3 401 1 1 5 LYS CD C 3.251 -8.599 5.709 1.00 . A A . 5 LYS CD 1 1 3 402 1 1 5 LYS CE C 3.628 -8.455 7.177 1.00 . A A . 5 LYS CE 1 1 3 403 1 1 5 LYS CG C 3.489 -7.311 4.933 1.00 . A A . 5 LYS CG 1 1 3 404 1 1 5 LYS H H 7.208 -5.705 5.013 1.00 . A A . 5 LYS H 1 1 3 405 1 1 5 LYS HA H 4.576 -4.793 5.104 1.00 . A A . 5 LYS HA 1 1 3 406 1 1 5 LYS HB2 H 5.313 -6.859 3.938 1.00 . A A . 5 LYS HB2 1 1 3 407 1 1 5 LYS HB3 H 5.511 -7.641 5.501 1.00 . A A . 5 LYS HB3 1 1 3 408 1 1 5 LYS HD2 H 2.205 -8.857 5.643 1.00 . A A . 5 LYS HD2 1 1 3 409 1 1 5 LYS HD3 H 3.846 -9.386 5.269 1.00 . A A . 5 LYS HD3 1 1 3 410 1 1 5 LYS HE2 H 3.547 -9.422 7.650 1.00 . A A . 5 LYS HE2 1 1 3 411 1 1 5 LYS HE3 H 4.651 -8.112 7.239 1.00 . A A . 5 LYS HE3 1 1 3 412 1 1 5 LYS HG2 H 2.896 -6.524 5.374 1.00 . A A . 5 LYS HG2 1 1 3 413 1 1 5 LYS HG3 H 3.186 -7.459 3.907 1.00 . A A . 5 LYS HG3 1 1 3 414 1 1 5 LYS HZ1 H 3.198 -6.817 8.424 1.00 . A A . 5 LYS HZ1 1 1 3 415 1 1 5 LYS N N 6.577 -5.123 5.487 1.00 . A A . 5 LYS N 1 1 3 416 1 1 5 LYS NZ N 2.766 -7.509 7.885 1.00 . A A . 5 LYS NZ 1 1 3 417 1 1 5 LYS O O 3.671 -5.161 7.432 1.00 . A A . 5 LYS O 1 1 3 418 1 1 6 PHE C C 4.727 -4.975 9.878 1.00 . A A . 6 PHE C 1 1 3 419 1 1 6 PHE CA C 5.398 -6.235 9.343 1.00 . A A . 6 PHE CA 1 1 3 420 1 1 6 PHE CB C 6.704 -6.492 10.096 1.00 . A A . 6 PHE CB 1 1 3 421 1 1 6 PHE CD1 C 6.449 -8.847 10.923 1.00 . A A . 6 PHE CD1 1 1 3 422 1 1 6 PHE CD2 C 6.571 -7.089 12.529 1.00 . A A . 6 PHE CD2 1 1 3 423 1 1 6 PHE CE1 C 6.328 -9.774 11.941 1.00 . A A . 6 PHE CE1 1 1 3 424 1 1 6 PHE CE2 C 6.450 -8.010 13.552 1.00 . A A . 6 PHE CE2 1 1 3 425 1 1 6 PHE CG C 6.572 -7.496 11.205 1.00 . A A . 6 PHE CG 1 1 3 426 1 1 6 PHE CZ C 6.328 -9.354 13.258 1.00 . A A . 6 PHE CZ 1 1 3 427 1 1 6 PHE H H 6.514 -6.436 7.556 1.00 . A A . 6 PHE H 1 1 3 428 1 1 6 PHE HA H 4.736 -7.075 9.494 1.00 . A A . 6 PHE HA 1 1 3 429 1 1 6 PHE HB2 H 7.445 -6.860 9.402 1.00 . A A . 6 PHE HB2 1 1 3 430 1 1 6 PHE HB3 H 7.052 -5.564 10.527 1.00 . A A . 6 PHE HB3 1 1 3 431 1 1 6 PHE HD1 H 6.449 -9.176 9.894 1.00 . A A . 6 PHE HD1 1 1 3 432 1 1 6 PHE HD2 H 6.665 -6.038 12.760 1.00 . A A . 6 PHE HD2 1 1 3 433 1 1 6 PHE HE1 H 6.233 -10.824 11.709 1.00 . A A . 6 PHE HE1 1 1 3 434 1 1 6 PHE HE2 H 6.451 -7.680 14.580 1.00 . A A . 6 PHE HE2 1 1 3 435 1 1 6 PHE HZ H 6.233 -10.076 14.055 1.00 . A A . 6 PHE HZ 1 1 3 436 1 1 6 PHE N N 5.658 -6.118 7.910 1.00 . A A . 6 PHE N 1 1 3 437 1 1 6 PHE O O 3.663 -5.037 10.495 1.00 . A A . 6 PHE O 1 1 3 438 1 1 7 THR C C 3.759 -2.027 9.112 1.00 . A A . 7 THR C 1 1 3 439 1 1 7 THR CA C 4.823 -2.553 10.074 1.00 . A A . 7 THR CA 1 1 3 440 1 1 7 THR CB C 5.948 -1.505 10.223 1.00 . A A . 7 THR CB 1 1 3 441 1 1 7 THR CG2 C 6.364 -0.933 8.873 1.00 . A A . 7 THR CG2 1 1 3 442 1 1 7 THR H H 6.197 -3.852 9.123 1.00 . A A . 7 THR H 1 1 3 443 1 1 7 THR HA H 4.372 -2.704 11.043 1.00 . A A . 7 THR HA 1 1 3 444 1 1 7 THR HB H 6.807 -1.988 10.666 1.00 . A A . 7 THR HB 1 1 3 445 1 1 7 THR HG1 H 6.269 0.117 11.300 1.00 . A A . 7 THR HG1 1 1 3 446 1 1 7 THR HG21 H 5.982 -1.562 8.083 1.00 . A A . 7 THR HG21 1 1 3 447 1 1 7 THR HG22 H 7.441 -0.896 8.814 1.00 . A A . 7 THR HG22 1 1 3 448 1 1 7 THR HG23 H 5.963 0.064 8.765 1.00 . A A . 7 THR HG23 1 1 3 449 1 1 7 THR N N 5.355 -3.833 9.627 1.00 . A A . 7 THR N 1 1 3 450 1 1 7 THR O O 2.882 -1.256 9.501 1.00 . A A . 7 THR O 1 1 3 451 1 1 7 THR OG1 O 5.519 -0.442 11.082 1.00 . A A . 7 THR OG1 1 1 3 452 1 1 8 SER C C 1.469 -2.392 7.212 1.00 . A A . 8 SER C 1 1 3 453 1 1 8 SER CA C 2.897 -2.015 6.833 1.00 . A A . 8 SER CA 1 1 3 454 1 1 8 SER CB C 3.256 -2.631 5.480 1.00 . A A . 8 SER CB 1 1 3 455 1 1 8 SER H H 4.570 -3.057 7.602 1.00 . A A . 8 SER H 1 1 3 456 1 1 8 SER HA H 2.963 -0.940 6.756 1.00 . A A . 8 SER HA 1 1 3 457 1 1 8 SER HB2 H 4.329 -2.643 5.364 1.00 . A A . 8 SER HB2 1 1 3 458 1 1 8 SER HB3 H 2.878 -3.643 5.436 1.00 . A A . 8 SER HB3 1 1 3 459 1 1 8 SER HG H 1.963 -2.379 4.029 1.00 . A A . 8 SER HG 1 1 3 460 1 1 8 SER N N 3.846 -2.447 7.853 1.00 . A A . 8 SER N 1 1 3 461 1 1 8 SER O O 0.551 -1.579 7.089 1.00 . A A . 8 SER O 1 1 3 462 1 1 8 SER OG O 2.692 -1.887 4.414 1.00 . A A . 8 SER OG 1 1 3 463 1 1 9 GLU C C -0.329 -3.791 9.523 1.00 . A A . 9 GLU C 1 1 3 464 1 1 9 GLU CA C -0.041 -4.100 8.057 1.00 . A A . 9 GLU CA 1 1 3 465 1 1 9 GLU CB C -0.181 -5.602 7.790 1.00 . A A . 9 GLU CB 1 1 3 466 1 1 9 GLU CD C 1.440 -7.538 7.839 1.00 . A A . 9 GLU CD 1 1 3 467 1 1 9 GLU CG C 0.728 -6.468 8.646 1.00 . A A . 9 GLU CG 1 1 3 468 1 1 9 GLU H H 2.052 -4.232 7.745 1.00 . A A . 9 GLU H 1 1 3 469 1 1 9 GLU HA H -0.761 -3.573 7.452 1.00 . A A . 9 GLU HA 1 1 3 470 1 1 9 GLU HB2 H -1.203 -5.894 7.981 1.00 . A A . 9 GLU HB2 1 1 3 471 1 1 9 GLU HB3 H 0.050 -5.792 6.752 1.00 . A A . 9 GLU HB3 1 1 3 472 1 1 9 GLU HG2 H 1.470 -5.838 9.113 1.00 . A A . 9 GLU HG2 1 1 3 473 1 1 9 GLU HG3 H 0.133 -6.948 9.408 1.00 . A A . 9 GLU HG3 1 1 3 474 1 1 9 GLU N N 1.284 -3.627 7.670 1.00 . A A . 9 GLU N 1 1 3 475 1 1 9 GLU O O -1.467 -3.496 9.888 1.00 . A A . 9 GLU O 1 1 3 476 1 1 9 GLU OE1 O 0.935 -8.648 7.679 1.00 . A A . 9 GLU OE1 1 1 3 477 1 1 10 PHE C C 0.046 -2.128 11.975 1.00 . A A . 10 PHE C 1 1 3 478 1 1 10 PHE CA C 0.536 -3.558 11.782 1.00 . A A . 10 PHE CA 1 1 3 479 1 1 10 PHE CB C 1.852 -3.765 12.536 1.00 . A A . 10 PHE CB 1 1 3 480 1 1 10 PHE CD1 C 1.584 -6.261 12.553 1.00 . A A . 10 PHE CD1 1 1 3 481 1 1 10 PHE CD2 C 2.417 -5.197 14.518 1.00 . A A . 10 PHE CD2 1 1 3 482 1 1 10 PHE CE1 C 1.675 -7.491 13.176 1.00 . A A . 10 PHE CE1 1 1 3 483 1 1 10 PHE CE2 C 2.511 -6.424 15.146 1.00 . A A . 10 PHE CE2 1 1 3 484 1 1 10 PHE CG C 1.953 -5.102 13.215 1.00 . A A . 10 PHE CG 1 1 3 485 1 1 10 PHE CZ C 2.139 -7.573 14.475 1.00 . A A . 10 PHE CZ 1 1 3 486 1 1 10 PHE H H 1.592 -4.081 10.017 1.00 . A A . 10 PHE H 1 1 3 487 1 1 10 PHE HA H -0.206 -4.237 12.174 1.00 . A A . 10 PHE HA 1 1 3 488 1 1 10 PHE HB2 H 2.674 -3.681 11.842 1.00 . A A . 10 PHE HB2 1 1 3 489 1 1 10 PHE HB3 H 1.949 -3.000 13.292 1.00 . A A . 10 PHE HB3 1 1 3 490 1 1 10 PHE HD1 H 1.222 -6.198 11.537 1.00 . A A . 10 PHE HD1 1 1 3 491 1 1 10 PHE HD2 H 2.708 -4.300 15.044 1.00 . A A . 10 PHE HD2 1 1 3 492 1 1 10 PHE HE1 H 1.384 -8.388 12.649 1.00 . A A . 10 PHE HE1 1 1 3 493 1 1 10 PHE HE2 H 2.874 -6.486 16.162 1.00 . A A . 10 PHE HE2 1 1 3 494 1 1 10 PHE HZ H 2.212 -8.533 14.964 1.00 . A A . 10 PHE HZ 1 1 3 495 1 1 10 PHE N N 0.703 -3.848 10.361 1.00 . A A . 10 PHE N 1 1 3 496 1 1 10 PHE O O -0.931 -1.883 12.682 1.00 . A A . 10 PHE O 1 1 3 497 1 1 11 . C C -0.132 0.736 10.076 1.00 . A A . 11 PH8 C 1 1 3 498 1 1 11 . CA C 0.371 0.222 11.422 1.00 . A A . 11 PH8 CA 1 1 3 499 1 1 11 . CB C 1.572 1.050 11.881 1.00 . A A . 11 PH8 CB 1 1 3 500 1 1 11 . CD1 C 4.921 2.520 14.649 1.00 . A A . 11 PH8 CD1 1 1 3 501 1 1 11 . CD2 C 4.731 0.148 14.808 1.00 . A A . 11 PH8 CD2 1 1 3 502 1 1 11 . CE1 C 6.240 2.444 15.053 1.00 . A A . 11 PH8 CE1 1 1 3 503 1 1 11 . CE2 C 6.050 0.066 15.212 1.00 . A A . 11 PH8 CE2 1 1 3 504 1 1 11 . CG C 4.152 1.374 14.522 1.00 . A A . 11 PH8 CG 1 1 3 505 1 1 11 . CI C 2.336 0.424 13.036 1.00 . A A . 11 PH8 CI 1 1 3 506 1 1 11 . CJ C 2.719 1.459 14.082 1.00 . A A . 11 PH8 CJ 1 1 3 507 1 1 11 . CZ C 6.805 1.216 15.335 1.00 . A A . 11 PH8 CZ 1 1 3 508 1 1 11 . HA H -0.421 0.317 12.149 1.00 . A A . 11 PH8 HA 1 1 3 509 1 1 11 . HB H 2.251 1.169 11.050 1.00 . A A . 11 PH8 HB 1 1 3 510 1 1 11 . HBA H 1.224 2.024 12.193 1.00 . A A . 11 PH8 HBA 1 1 3 511 1 1 11 . HD1 H 4.480 3.481 14.429 1.00 . A A . 11 PH8 HD1 1 1 3 512 1 1 11 . HD2 H 4.141 -0.752 14.712 1.00 . A A . 11 PH8 HD2 1 1 3 513 1 1 11 . HE1 H 6.829 3.345 15.148 1.00 . A A . 11 PH8 HE1 1 1 3 514 1 1 11 . HE2 H 6.489 -0.896 15.432 1.00 . A A . 11 PH8 HE2 1 1 3 515 1 1 11 . HI H 1.715 -0.329 13.500 1.00 . A A . 11 PH8 HI 1 1 3 516 1 1 11 . HIA H 3.236 -0.035 12.653 1.00 . A A . 11 PH8 HIA 1 1 3 517 1 1 11 . HJ H 2.092 1.322 14.951 1.00 . A A . 11 PH8 HJ 1 1 3 518 1 1 11 . HJA H 2.552 2.445 13.672 1.00 . A A . 11 PH8 HJA 1 1 3 519 1 1 11 . HN H 1.499 -1.450 10.783 1.00 . A A . 11 PH8 HN 1 1 3 520 1 1 11 . HZ H 7.836 1.154 15.651 1.00 . A A . 11 PH8 HZ 1 1 3 521 1 1 11 . N N 0.732 -1.188 11.334 1.00 . A A . 11 PH8 N 1 1 3 522 1 1 11 . O O -0.957 1.648 10.018 1.00 . A A . 11 PH8 O 1 1 3 523 1 1 12 NH2 HN1 H 1.015 -0.576 9.115 1.00 . A A . 12 NH2 HN1 1 1 3 524 1 1 12 NH2 HN2 H 0.049 0.447 8.115 1.00 . A A . 12 NH2 HN2 1 1 3 525 1 1 12 NH2 N N 0.361 0.143 8.993 1.00 . A A . 12 NH2 N 1 1 4 526 1 1 1 HIS C C 8.691 -7.028 0.820 1.00 . A A . 1 HIS C 1 1 4 527 1 1 1 HIS CA C 8.284 -5.689 0.209 1.00 . A A . 1 HIS CA 1 1 4 528 1 1 1 HIS CB C 9.513 -4.965 -0.345 1.00 . A A . 1 HIS CB 1 1 4 529 1 1 1 HIS CD2 C 10.105 -6.172 -2.562 1.00 . A A . 1 HIS CD2 1 1 4 530 1 1 1 HIS CE1 C 9.644 -4.539 -3.950 1.00 . A A . 1 HIS CE1 1 1 4 531 1 1 1 HIS CG C 9.681 -5.119 -1.824 1.00 . A A . 1 HIS CG 1 1 4 532 1 1 1 HIS H1 H 6.963 -5.363 1.791 1.00 . A A . 1 HIS H1 1 1 4 533 1 1 1 HIS H2 H 7.107 -4.049 0.736 1.00 . A A . 1 HIS H2 1 1 4 534 1 1 1 HIS H3 H 8.345 -4.387 1.838 1.00 . A A . 1 HIS H3 1 1 4 535 1 1 1 HIS HA H 7.586 -5.869 -0.595 1.00 . A A . 1 HIS HA 1 1 4 536 1 1 1 HIS HB2 H 9.427 -3.910 -0.129 1.00 . A A . 1 HIS HB2 1 1 4 537 1 1 1 HIS HB3 H 10.399 -5.354 0.135 1.00 . A A . 1 HIS HB3 1 1 4 538 1 1 1 HIS HD1 H 9.071 -3.217 -2.496 1.00 . A A . 1 HIS HD1 1 1 4 539 1 1 1 HIS HD2 H 10.412 -7.138 -2.185 1.00 . A A . 1 HIS HD2 1 1 4 540 1 1 1 HIS HE1 H 9.515 -3.965 -4.856 1.00 . A A . 1 HIS HE1 1 1 4 541 1 1 1 HIS HE2 H 10.406 -6.312 -4.636 1.00 . A A . 1 HIS HE2 1 1 4 542 1 1 1 HIS N N 7.629 -4.811 1.213 1.00 . A A . 1 HIS N 1 1 4 543 1 1 1 HIS ND1 N 9.401 -4.112 -2.723 1.00 . A A . 1 HIS ND1 1 1 4 544 1 1 1 HIS NE2 N 10.073 -5.785 -3.879 1.00 . A A . 1 HIS NE2 1 1 4 545 1 1 1 HIS O O 8.889 -8.010 0.106 1.00 . A A . 1 HIS O 1 1 4 546 1 1 2 ABA C C 9.194 -8.029 4.360 1.00 . A A . 2 AIB C 1 1 4 547 1 1 2 ABA CA C 9.200 -8.287 2.850 1.00 . A A . 2 AIB CA 1 1 4 548 1 1 2 ABA H H 8.645 -6.247 2.663 1.00 . A A . 2 AIB H 1 1 4 549 1 1 2 ABA N N 8.815 -7.061 2.146 1.00 . A A . 2 AIB N 1 1 4 550 1 1 2 ABA O O 8.266 -8.428 5.063 1.00 . A A . 2 AIB O 1 1 4 551 1 1 3 GLU C C 9.380 -5.939 6.662 1.00 . A A . 3 GLU C 1 1 4 552 1 1 3 GLU CA C 10.345 -7.053 6.270 1.00 . A A . 3 GLU CA 1 1 4 553 1 1 3 GLU CB C 11.779 -6.648 6.617 1.00 . A A . 3 GLU CB 1 1 4 554 1 1 3 GLU CD C 13.052 -5.997 8.700 1.00 . A A . 3 GLU CD 1 1 4 555 1 1 3 GLU CG C 12.201 -7.052 8.021 1.00 . A A . 3 GLU CG 1 1 4 556 1 1 3 GLU H H 10.944 -7.068 4.239 1.00 . A A . 3 GLU H 1 1 4 557 1 1 3 GLU HA H 10.089 -7.945 6.822 1.00 . A A . 3 GLU HA 1 1 4 558 1 1 3 GLU HB2 H 12.453 -7.114 5.914 1.00 . A A . 3 GLU HB2 1 1 4 559 1 1 3 GLU HB3 H 11.868 -5.575 6.533 1.00 . A A . 3 GLU HB3 1 1 4 560 1 1 3 GLU HG2 H 11.316 -7.216 8.616 1.00 . A A . 3 GLU HG2 1 1 4 561 1 1 3 GLU HG3 H 12.769 -7.969 7.962 1.00 . A A . 3 GLU HG3 1 1 4 562 1 1 3 GLU N N 10.235 -7.361 4.848 1.00 . A A . 3 GLU N 1 1 4 563 1 1 3 GLU O O 8.900 -5.891 7.794 1.00 . A A . 3 GLU O 1 1 4 564 1 1 3 GLU OE1 O 12.592 -4.841 8.806 1.00 . A A . 3 GLU OE1 1 1 4 565 1 1 3 GLU OE2 O 14.179 -6.327 9.125 1.00 . A A . 3 GLU OE2 1 1 4 566 1 1 4 GLY C C 6.742 -4.386 6.060 1.00 . A A . 4 GLY C 1 1 4 567 1 1 4 GLY CA C 8.193 -3.946 5.987 1.00 . A A . 4 GLY CA 1 1 4 568 1 1 4 GLY H H 9.513 -5.135 4.835 1.00 . A A . 4 GLY H 1 1 4 569 1 1 4 GLY HA2 H 8.467 -3.490 6.927 1.00 . A A . 4 GLY HA2 1 1 4 570 1 1 4 GLY HA3 H 8.295 -3.211 5.201 1.00 . A A . 4 GLY HA3 1 1 4 571 1 1 4 GLY N N 9.101 -5.046 5.719 1.00 . A A . 4 GLY N 1 1 4 572 1 1 4 GLY O O 5.880 -3.622 6.494 1.00 . A A . 4 GLY O 1 1 4 573 1 1 5 LYS C C 4.542 -6.119 7.075 1.00 . A A . 5 LYS C 1 1 4 574 1 1 5 LYS CA C 5.112 -6.149 5.657 1.00 . A A . 5 LYS CA 1 1 4 575 1 1 5 LYS CB C 5.095 -7.576 5.077 1.00 . A A . 5 LYS CB 1 1 4 576 1 1 5 LYS CD C 3.046 -8.516 6.205 1.00 . A A . 5 LYS CD 1 1 4 577 1 1 5 LYS CE C 2.637 -8.796 7.644 1.00 . A A . 5 LYS CE 1 1 4 578 1 1 5 LYS CG C 4.549 -8.648 6.016 1.00 . A A . 5 LYS CG 1 1 4 579 1 1 5 LYS H H 7.197 -6.181 5.299 1.00 . A A . 5 LYS H 1 1 4 580 1 1 5 LYS HA H 4.504 -5.513 5.031 1.00 . A A . 5 LYS HA 1 1 4 581 1 1 5 LYS HB2 H 4.487 -7.577 4.185 1.00 . A A . 5 LYS HB2 1 1 4 582 1 1 5 LYS HB3 H 6.105 -7.849 4.807 1.00 . A A . 5 LYS HB3 1 1 4 583 1 1 5 LYS HD2 H 2.747 -7.512 5.946 1.00 . A A . 5 LYS HD2 1 1 4 584 1 1 5 LYS HD3 H 2.548 -9.221 5.555 1.00 . A A . 5 LYS HD3 1 1 4 585 1 1 5 LYS HE2 H 1.936 -9.617 7.652 1.00 . A A . 5 LYS HE2 1 1 4 586 1 1 5 LYS HE3 H 3.516 -9.070 8.209 1.00 . A A . 5 LYS HE3 1 1 4 587 1 1 5 LYS HG2 H 4.763 -9.620 5.597 1.00 . A A . 5 LYS HG2 1 1 4 588 1 1 5 LYS HG3 H 5.035 -8.555 6.975 1.00 . A A . 5 LYS HG3 1 1 4 589 1 1 5 LYS HZ1 H 2.573 -6.844 8.425 1.00 . A A . 5 LYS HZ1 1 1 4 590 1 1 5 LYS N N 6.470 -5.617 5.635 1.00 . A A . 5 LYS N 1 1 4 591 1 1 5 LYS NZ N 2.013 -7.634 8.272 1.00 . A A . 5 LYS NZ 1 1 4 592 1 1 5 LYS O O 3.398 -5.715 7.285 1.00 . A A . 5 LYS O 1 1 4 593 1 1 6 PHE C C 4.380 -5.206 9.866 1.00 . A A . 6 PHE C 1 1 4 594 1 1 6 PHE CA C 4.920 -6.569 9.440 1.00 . A A . 6 PHE CA 1 1 4 595 1 1 6 PHE CB C 6.086 -6.976 10.345 1.00 . A A . 6 PHE CB 1 1 4 596 1 1 6 PHE CD1 C 5.682 -9.447 10.174 1.00 . A A . 6 PHE CD1 1 1 4 597 1 1 6 PHE CD2 C 6.000 -8.498 12.338 1.00 . A A . 6 PHE CD2 1 1 4 598 1 1 6 PHE CE1 C 5.528 -10.698 10.741 1.00 . A A . 6 PHE CE1 1 1 4 599 1 1 6 PHE CE2 C 5.847 -9.746 12.912 1.00 . A A . 6 PHE CE2 1 1 4 600 1 1 6 PHE CG C 5.919 -8.334 10.965 1.00 . A A . 6 PHE CG 1 1 4 601 1 1 6 PHE CZ C 5.611 -10.848 12.112 1.00 . A A . 6 PHE CZ 1 1 4 602 1 1 6 PHE H H 6.247 -6.857 7.815 1.00 . A A . 6 PHE H 1 1 4 603 1 1 6 PHE HA H 4.131 -7.300 9.535 1.00 . A A . 6 PHE HA 1 1 4 604 1 1 6 PHE HB2 H 6.996 -6.987 9.764 1.00 . A A . 6 PHE HB2 1 1 4 605 1 1 6 PHE HB3 H 6.184 -6.255 11.144 1.00 . A A . 6 PHE HB3 1 1 4 606 1 1 6 PHE HD1 H 5.617 -9.331 9.102 1.00 . A A . 6 PHE HD1 1 1 4 607 1 1 6 PHE HD2 H 6.184 -7.638 12.965 1.00 . A A . 6 PHE HD2 1 1 4 608 1 1 6 PHE HE1 H 5.343 -11.557 10.114 1.00 . A A . 6 PHE HE1 1 1 4 609 1 1 6 PHE HE2 H 5.912 -9.861 13.984 1.00 . A A . 6 PHE HE2 1 1 4 610 1 1 6 PHE HZ H 5.491 -11.824 12.558 1.00 . A A . 6 PHE HZ 1 1 4 611 1 1 6 PHE N N 5.346 -6.548 8.044 1.00 . A A . 6 PHE N 1 1 4 612 1 1 6 PHE O O 3.309 -5.110 10.466 1.00 . A A . 6 PHE O 1 1 4 613 1 1 7 THR C C 3.686 -2.257 8.925 1.00 . A A . 7 THR C 1 1 4 614 1 1 7 THR CA C 4.728 -2.799 9.899 1.00 . A A . 7 THR CA 1 1 4 615 1 1 7 THR CB C 5.936 -1.845 9.923 1.00 . A A . 7 THR CB 1 1 4 616 1 1 7 THR CG2 C 6.823 -2.126 11.126 1.00 . A A . 7 THR CG2 1 1 4 617 1 1 7 THR H H 5.972 -4.297 9.071 1.00 . A A . 7 THR H 1 1 4 618 1 1 7 THR HA H 4.297 -2.827 10.889 1.00 . A A . 7 THR HA 1 1 4 619 1 1 7 THR HB H 5.572 -0.830 9.993 1.00 . A A . 7 THR HB 1 1 4 620 1 1 7 THR HG1 H 7.225 -2.787 8.763 1.00 . A A . 7 THR HG1 1 1 4 621 1 1 7 THR HG21 H 7.675 -2.713 10.816 1.00 . A A . 7 THR HG21 1 1 4 622 1 1 7 THR HG22 H 6.261 -2.673 11.869 1.00 . A A . 7 THR HG22 1 1 4 623 1 1 7 THR HG23 H 7.164 -1.192 11.549 1.00 . A A . 7 THR HG23 1 1 4 624 1 1 7 THR N N 5.129 -4.156 9.550 1.00 . A A . 7 THR N 1 1 4 625 1 1 7 THR O O 2.965 -1.311 9.240 1.00 . A A . 7 THR O 1 1 4 626 1 1 7 THR OG1 O 6.698 -1.986 8.718 1.00 . A A . 7 THR OG1 1 1 4 627 1 1 8 SER C C 1.220 -2.582 7.236 1.00 . A A . 8 SER C 1 1 4 628 1 1 8 SER CA C 2.651 -2.425 6.730 1.00 . A A . 8 SER CA 1 1 4 629 1 1 8 SER CB C 2.843 -3.224 5.438 1.00 . A A . 8 SER CB 1 1 4 630 1 1 8 SER H H 4.209 -3.606 7.542 1.00 . A A . 8 SER H 1 1 4 631 1 1 8 SER HA H 2.835 -1.380 6.527 1.00 . A A . 8 SER HA 1 1 4 632 1 1 8 SER HB2 H 2.518 -2.629 4.598 1.00 . A A . 8 SER HB2 1 1 4 633 1 1 8 SER HB3 H 3.889 -3.469 5.322 1.00 . A A . 8 SER HB3 1 1 4 634 1 1 8 SER HG H 2.570 -5.092 5.960 1.00 . A A . 8 SER HG 1 1 4 635 1 1 8 SER N N 3.609 -2.857 7.741 1.00 . A A . 8 SER N 1 1 4 636 1 1 8 SER O O 0.391 -1.686 7.072 1.00 . A A . 8 SER O 1 1 4 637 1 1 8 SER OG O 2.093 -4.426 5.462 1.00 . A A . 8 SER OG 1 1 4 638 1 1 9 GLU C C -0.546 -3.450 9.793 1.00 . A A . 9 GLU C 1 1 4 639 1 1 9 GLU CA C -0.392 -4.004 8.380 1.00 . A A . 9 GLU CA 1 1 4 640 1 1 9 GLU CB C -0.664 -5.510 8.376 1.00 . A A . 9 GLU CB 1 1 4 641 1 1 9 GLU CD C 0.737 -7.595 8.643 1.00 . A A . 9 GLU CD 1 1 4 642 1 1 9 GLU CG C 0.268 -6.301 9.279 1.00 . A A . 9 GLU CG 1 1 4 643 1 1 9 GLU H H 1.642 -4.402 7.950 1.00 . A A . 9 GLU H 1 1 4 644 1 1 9 GLU HA H -1.109 -3.518 7.738 1.00 . A A . 9 GLU HA 1 1 4 645 1 1 9 GLU HB2 H -1.679 -5.681 8.705 1.00 . A A . 9 GLU HB2 1 1 4 646 1 1 9 GLU HB3 H -0.555 -5.881 7.368 1.00 . A A . 9 GLU HB3 1 1 4 647 1 1 9 GLU HG2 H 1.133 -5.695 9.502 1.00 . A A . 9 GLU HG2 1 1 4 648 1 1 9 GLU HG3 H -0.252 -6.536 10.196 1.00 . A A . 9 GLU HG3 1 1 4 649 1 1 9 GLU N N 0.939 -3.728 7.851 1.00 . A A . 9 GLU N 1 1 4 650 1 1 9 GLU O O -1.617 -2.974 10.169 1.00 . A A . 9 GLU O 1 1 4 651 1 1 9 GLU OE1 O 0.222 -8.671 8.944 1.00 . A A . 9 GLU OE1 1 1 4 652 1 1 10 PHE C C 0.449 -1.485 11.951 1.00 . A A . 10 PHE C 1 1 4 653 1 1 10 PHE CA C 0.510 -3.008 11.939 1.00 . A A . 10 PHE CA 1 1 4 654 1 1 10 PHE CB C 1.745 -3.489 12.702 1.00 . A A . 10 PHE CB 1 1 4 655 1 1 10 PHE CD1 C 0.985 -2.882 15.014 1.00 . A A . 10 PHE CD1 1 1 4 656 1 1 10 PHE CD2 C 1.688 -5.124 14.604 1.00 . A A . 10 PHE CD2 1 1 4 657 1 1 10 PHE CE1 C 0.727 -3.201 16.334 1.00 . A A . 10 PHE CE1 1 1 4 658 1 1 10 PHE CE2 C 1.433 -5.449 15.923 1.00 . A A . 10 PHE CE2 1 1 4 659 1 1 10 PHE CG C 1.467 -3.839 14.136 1.00 . A A . 10 PHE CG 1 1 4 660 1 1 10 PHE CZ C 0.952 -4.486 16.789 1.00 . A A . 10 PHE CZ 1 1 4 661 1 1 10 PHE H H 1.357 -3.897 10.214 1.00 . A A . 10 PHE H 1 1 4 662 1 1 10 PHE HA H -0.375 -3.396 12.422 1.00 . A A . 10 PHE HA 1 1 4 663 1 1 10 PHE HB2 H 2.139 -4.370 12.216 1.00 . A A . 10 PHE HB2 1 1 4 664 1 1 10 PHE HB3 H 2.495 -2.711 12.687 1.00 . A A . 10 PHE HB3 1 1 4 665 1 1 10 PHE HD1 H 0.809 -1.877 14.660 1.00 . A A . 10 PHE HD1 1 1 4 666 1 1 10 PHE HD2 H 2.064 -5.877 13.928 1.00 . A A . 10 PHE HD2 1 1 4 667 1 1 10 PHE HE1 H 0.352 -2.447 17.009 1.00 . A A . 10 PHE HE1 1 1 4 668 1 1 10 PHE HE2 H 1.608 -6.454 16.276 1.00 . A A . 10 PHE HE2 1 1 4 669 1 1 10 PHE HZ H 0.752 -4.738 17.820 1.00 . A A . 10 PHE HZ 1 1 4 670 1 1 10 PHE N N 0.530 -3.510 10.570 1.00 . A A . 10 PHE N 1 1 4 671 1 1 10 PHE O O -0.358 -0.889 12.665 1.00 . A A . 10 PHE O 1 1 4 672 1 1 11 . C C 0.812 1.063 9.710 1.00 . A A . 11 PH8 C 1 1 4 673 1 1 11 . CA C 1.354 0.592 11.057 1.00 . A A . 11 PH8 CA 1 1 4 674 1 1 11 . CB C 2.789 1.089 11.248 1.00 . A A . 11 PH8 CB 1 1 4 675 1 1 11 . CD1 C 2.841 5.360 9.596 1.00 . A A . 11 PH8 CD1 1 1 4 676 1 1 11 . CD2 C 2.447 3.801 7.835 1.00 . A A . 11 PH8 CD2 1 1 4 677 1 1 11 . CE1 C 2.200 6.347 8.871 1.00 . A A . 11 PH8 CE1 1 1 4 678 1 1 11 . CE2 C 1.805 4.783 7.106 1.00 . A A . 11 PH8 CE2 1 1 4 679 1 1 11 . CG C 2.972 4.078 9.087 1.00 . A A . 11 PH8 CG 1 1 4 680 1 1 11 . CI C 2.931 2.600 11.142 1.00 . A A . 11 PH8 CI 1 1 4 681 1 1 11 . CJ C 3.671 3.009 9.878 1.00 . A A . 11 PH8 CJ 1 1 4 682 1 1 11 . CZ C 1.680 6.058 7.624 1.00 . A A . 11 PH8 CZ 1 1 4 683 1 1 11 . HA H 0.734 0.995 11.843 1.00 . A A . 11 PH8 HA 1 1 4 684 1 1 11 . HB H 3.135 0.784 12.224 1.00 . A A . 11 PH8 HB 1 1 4 685 1 1 11 . HBA H 3.417 0.635 10.495 1.00 . A A . 11 PH8 HBA 1 1 4 686 1 1 11 . HD1 H 3.247 5.587 10.571 1.00 . A A . 11 PH8 HD1 1 1 4 687 1 1 11 . HD2 H 2.544 2.805 7.429 1.00 . A A . 11 PH8 HD2 1 1 4 688 1 1 11 . HE1 H 2.103 7.342 9.280 1.00 . A A . 11 PH8 HE1 1 1 4 689 1 1 11 . HE2 H 1.399 4.555 6.131 1.00 . A A . 11 PH8 HE2 1 1 4 690 1 1 11 . HI H 1.946 3.043 11.130 1.00 . A A . 11 PH8 HI 1 1 4 691 1 1 11 . HIA H 3.479 2.960 12.000 1.00 . A A . 11 PH8 HIA 1 1 4 692 1 1 11 . HJ H 3.781 2.142 9.244 1.00 . A A . 11 PH8 HJ 1 1 4 693 1 1 11 . HJA H 4.647 3.379 10.152 1.00 . A A . 11 PH8 HJA 1 1 4 694 1 1 11 . HN H 1.921 -1.395 10.604 1.00 . A A . 11 PH8 HN 1 1 4 695 1 1 11 . HZ H 1.178 6.826 7.056 1.00 . A A . 11 PH8 HZ 1 1 4 696 1 1 11 . N N 1.306 -0.862 11.150 1.00 . A A . 11 PH8 N 1 1 4 697 1 1 11 . O O 0.255 2.155 9.601 1.00 . A A . 11 PH8 O 1 1 4 698 1 1 12 NH2 HN1 H 1.425 -0.620 8.845 1.00 . A A . 12 NH2 HN1 1 1 4 699 1 1 12 NH2 HN2 H 0.626 0.506 7.809 1.00 . A A . 12 NH2 HN2 1 1 4 700 1 1 12 NH2 N N 0.971 0.233 8.684 1.00 . A A . 12 NH2 N 1 1 5 701 1 1 1 HIS C C 9.976 -7.063 1.758 1.00 . A A . 1 HIS C 1 1 5 702 1 1 1 HIS CA C 10.419 -5.868 0.917 1.00 . A A . 1 HIS CA 1 1 5 703 1 1 1 HIS CB C 9.914 -6.013 -0.521 1.00 . A A . 1 HIS CB 1 1 5 704 1 1 1 HIS CD2 C 11.603 -7.787 -1.377 1.00 . A A . 1 HIS CD2 1 1 5 705 1 1 1 HIS CE1 C 10.173 -9.180 -2.282 1.00 . A A . 1 HIS CE1 1 1 5 706 1 1 1 HIS CG C 10.363 -7.274 -1.192 1.00 . A A . 1 HIS CG 1 1 5 707 1 1 1 HIS H1 H 12.332 -6.698 0.855 1.00 . A A . 1 HIS H1 1 1 5 708 1 1 1 HIS H2 H 12.237 -5.260 1.740 1.00 . A A . 1 HIS H2 1 1 5 709 1 1 1 HIS H3 H 12.201 -5.216 0.050 1.00 . A A . 1 HIS H3 1 1 5 710 1 1 1 HIS HA H 10.012 -4.965 1.348 1.00 . A A . 1 HIS HA 1 1 5 711 1 1 1 HIS HB2 H 8.835 -6.004 -0.519 1.00 . A A . 1 HIS HB2 1 1 5 712 1 1 1 HIS HB3 H 10.274 -5.178 -1.105 1.00 . A A . 1 HIS HB3 1 1 5 713 1 1 1 HIS HD1 H 8.515 -8.081 -1.803 1.00 . A A . 1 HIS HD1 1 1 5 714 1 1 1 HIS HD2 H 12.534 -7.346 -1.050 1.00 . A A . 1 HIS HD2 1 1 5 715 1 1 1 HIS HE1 H 9.752 -10.031 -2.798 1.00 . A A . 1 HIS HE1 1 1 5 716 1 1 1 HIS HE2 H 12.174 -9.610 -2.247 1.00 . A A . 1 HIS HE2 1 1 5 717 1 1 1 HIS N N 11.900 -5.753 0.889 1.00 . A A . 1 HIS N 1 1 5 718 1 1 1 HIS ND1 N 9.490 -8.171 -1.772 1.00 . A A . 1 HIS ND1 1 1 5 719 1 1 1 HIS NE2 N 11.456 -8.971 -2.057 1.00 . A A . 1 HIS NE2 1 1 5 720 1 1 1 HIS O O 10.778 -7.660 2.475 1.00 . A A . 1 HIS O 1 1 5 721 1 1 2 ABA C C 8.091 -8.185 3.905 1.00 . A A . 2 AIB C 1 1 5 722 1 1 2 ABA CA C 8.133 -8.533 2.414 1.00 . A A . 2 AIB CA 1 1 5 723 1 1 2 ABA H H 8.105 -6.890 1.072 1.00 . A A . 2 AIB H 1 1 5 724 1 1 2 ABA N N 8.693 -7.406 1.662 1.00 . A A . 2 AIB N 1 1 5 725 1 1 2 ABA O O 7.016 -8.040 4.489 1.00 . A A . 2 AIB O 1 1 5 726 1 1 3 GLU C C 8.695 -6.381 6.225 1.00 . A A . 3 GLU C 1 1 5 727 1 1 3 GLU CA C 9.357 -7.724 5.931 1.00 . A A . 3 GLU CA 1 1 5 728 1 1 3 GLU CB C 10.821 -7.692 6.375 1.00 . A A . 3 GLU CB 1 1 5 729 1 1 3 GLU CD C 13.055 -8.683 5.735 1.00 . A A . 3 GLU CD 1 1 5 730 1 1 3 GLU CG C 11.591 -8.954 6.021 1.00 . A A . 3 GLU CG 1 1 5 731 1 1 3 GLU H H 10.088 -8.179 3.997 1.00 . A A . 3 GLU H 1 1 5 732 1 1 3 GLU HA H 8.840 -8.494 6.483 1.00 . A A . 3 GLU HA 1 1 5 733 1 1 3 GLU HB2 H 11.311 -6.853 5.904 1.00 . A A . 3 GLU HB2 1 1 5 734 1 1 3 GLU HB3 H 10.857 -7.564 7.447 1.00 . A A . 3 GLU HB3 1 1 5 735 1 1 3 GLU HG2 H 11.524 -9.646 6.847 1.00 . A A . 3 GLU HG2 1 1 5 736 1 1 3 GLU HG3 H 11.144 -9.399 5.143 1.00 . A A . 3 GLU HG3 1 1 5 737 1 1 3 GLU N N 9.265 -8.052 4.513 1.00 . A A . 3 GLU N 1 1 5 738 1 1 3 GLU O O 8.180 -6.159 7.320 1.00 . A A . 3 GLU O 1 1 5 739 1 1 3 GLU OE1 O 13.383 -7.540 5.350 1.00 . A A . 3 GLU OE1 1 1 5 740 1 1 3 GLU OE2 O 13.873 -9.612 5.896 1.00 . A A . 3 GLU OE2 1 1 5 741 1 1 4 GLY C C 6.616 -4.254 5.653 1.00 . A A . 4 GLY C 1 1 5 742 1 1 4 GLY CA C 8.112 -4.180 5.414 1.00 . A A . 4 GLY CA 1 1 5 743 1 1 4 GLY H H 9.138 -5.721 4.388 1.00 . A A . 4 GLY H 1 1 5 744 1 1 4 GLY HA2 H 8.576 -3.693 6.259 1.00 . A A . 4 GLY HA2 1 1 5 745 1 1 4 GLY HA3 H 8.295 -3.591 4.528 1.00 . A A . 4 GLY HA3 1 1 5 746 1 1 4 GLY N N 8.713 -5.489 5.240 1.00 . A A . 4 GLY N 1 1 5 747 1 1 4 GLY O O 6.048 -3.408 6.345 1.00 . A A . 4 GLY O 1 1 5 748 1 1 5 LYS C C 4.166 -5.603 6.707 1.00 . A A . 5 LYS C 1 1 5 749 1 1 5 LYS CA C 4.537 -5.444 5.234 1.00 . A A . 5 LYS CA 1 1 5 750 1 1 5 LYS CB C 4.057 -6.653 4.415 1.00 . A A . 5 LYS CB 1 1 5 751 1 1 5 LYS CD C 2.501 -8.098 5.768 1.00 . A A . 5 LYS CD 1 1 5 752 1 1 5 LYS CE C 2.509 -8.414 7.257 1.00 . A A . 5 LYS CE 1 1 5 753 1 1 5 LYS CG C 3.911 -7.942 5.215 1.00 . A A . 5 LYS CG 1 1 5 754 1 1 5 LYS H H 6.482 -5.909 4.538 1.00 . A A . 5 LYS H 1 1 5 755 1 1 5 LYS HA H 4.057 -4.554 4.854 1.00 . A A . 5 LYS HA 1 1 5 756 1 1 5 LYS HB2 H 3.095 -6.418 3.983 1.00 . A A . 5 LYS HB2 1 1 5 757 1 1 5 LYS HB3 H 4.762 -6.831 3.616 1.00 . A A . 5 LYS HB3 1 1 5 758 1 1 5 LYS HD2 H 1.959 -7.178 5.611 1.00 . A A . 5 LYS HD2 1 1 5 759 1 1 5 LYS HD3 H 2.007 -8.902 5.242 1.00 . A A . 5 LYS HD3 1 1 5 760 1 1 5 LYS HE2 H 1.947 -9.321 7.422 1.00 . A A . 5 LYS HE2 1 1 5 761 1 1 5 LYS HE3 H 3.531 -8.562 7.576 1.00 . A A . 5 LYS HE3 1 1 5 762 1 1 5 LYS HG2 H 4.126 -8.780 4.569 1.00 . A A . 5 LYS HG2 1 1 5 763 1 1 5 LYS HG3 H 4.613 -7.929 6.035 1.00 . A A . 5 LYS HG3 1 1 5 764 1 1 5 LYS HZ1 H 2.444 -6.525 8.178 1.00 . A A . 5 LYS HZ1 1 1 5 765 1 1 5 LYS N N 5.976 -5.267 5.078 1.00 . A A . 5 LYS N 1 1 5 766 1 1 5 LYS NZ N 1.916 -7.339 8.049 1.00 . A A . 5 LYS NZ 1 1 5 767 1 1 5 LYS O O 3.072 -5.227 7.125 1.00 . A A . 5 LYS O 1 1 5 768 1 1 6 PHE C C 4.385 -5.091 9.589 1.00 . A A . 6 PHE C 1 1 5 769 1 1 6 PHE CA C 4.860 -6.374 8.915 1.00 . A A . 6 PHE CA 1 1 5 770 1 1 6 PHE CB C 6.141 -6.871 9.587 1.00 . A A . 6 PHE CB 1 1 5 771 1 1 6 PHE CD1 C 5.561 -9.095 10.594 1.00 . A A . 6 PHE CD1 1 1 5 772 1 1 6 PHE CD2 C 5.985 -7.263 12.061 1.00 . A A . 6 PHE CD2 1 1 5 773 1 1 6 PHE CE1 C 5.329 -9.916 11.680 1.00 . A A . 6 PHE CE1 1 1 5 774 1 1 6 PHE CE2 C 5.755 -8.080 13.152 1.00 . A A . 6 PHE CE2 1 1 5 775 1 1 6 PHE CG C 5.891 -7.761 10.771 1.00 . A A . 6 PHE CG 1 1 5 776 1 1 6 PHE CZ C 5.427 -9.408 12.961 1.00 . A A . 6 PHE CZ 1 1 5 777 1 1 6 PHE H H 5.941 -6.442 7.095 1.00 . A A . 6 PHE H 1 1 5 778 1 1 6 PHE HA H 4.095 -7.127 9.021 1.00 . A A . 6 PHE HA 1 1 5 779 1 1 6 PHE HB2 H 6.723 -7.429 8.870 1.00 . A A . 6 PHE HB2 1 1 5 780 1 1 6 PHE HB3 H 6.715 -6.020 9.925 1.00 . A A . 6 PHE HB3 1 1 5 781 1 1 6 PHE HD1 H 5.485 -9.493 9.592 1.00 . A A . 6 PHE HD1 1 1 5 782 1 1 6 PHE HD2 H 6.241 -6.225 12.211 1.00 . A A . 6 PHE HD2 1 1 5 783 1 1 6 PHE HE1 H 5.073 -10.954 11.529 1.00 . A A . 6 PHE HE1 1 1 5 784 1 1 6 PHE HE2 H 5.832 -7.680 14.152 1.00 . A A . 6 PHE HE2 1 1 5 785 1 1 6 PHE HZ H 5.246 -10.048 13.812 1.00 . A A . 6 PHE HZ 1 1 5 786 1 1 6 PHE N N 5.087 -6.163 7.488 1.00 . A A . 6 PHE N 1 1 5 787 1 1 6 PHE O O 3.394 -5.091 10.320 1.00 . A A . 6 PHE O 1 1 5 788 1 1 7 THR C C 3.580 -2.069 9.167 1.00 . A A . 7 THR C 1 1 5 789 1 1 7 THR CA C 4.746 -2.708 9.915 1.00 . A A . 7 THR CA 1 1 5 790 1 1 7 THR CB C 5.944 -1.741 9.901 1.00 . A A . 7 THR CB 1 1 5 791 1 1 7 THR CG2 C 5.946 -0.867 11.147 1.00 . A A . 7 THR CG2 1 1 5 792 1 1 7 THR H H 5.874 -4.060 8.742 1.00 . A A . 7 THR H 1 1 5 793 1 1 7 THR HA H 4.454 -2.873 10.942 1.00 . A A . 7 THR HA 1 1 5 794 1 1 7 THR HB H 5.865 -1.103 9.033 1.00 . A A . 7 THR HB 1 1 5 795 1 1 7 THR HG1 H 7.911 -1.881 9.951 1.00 . A A . 7 THR HG1 1 1 5 796 1 1 7 THR HG21 H 5.947 -1.494 12.026 1.00 . A A . 7 THR HG21 1 1 5 797 1 1 7 THR HG22 H 5.064 -0.243 11.150 1.00 . A A . 7 THR HG22 1 1 5 798 1 1 7 THR HG23 H 6.828 -0.244 11.147 1.00 . A A . 7 THR HG23 1 1 5 799 1 1 7 THR N N 5.096 -3.998 9.335 1.00 . A A . 7 THR N 1 1 5 800 1 1 7 THR O O 2.826 -1.278 9.734 1.00 . A A . 7 THR O 1 1 5 801 1 1 7 THR OG1 O 7.170 -2.478 9.830 1.00 . A A . 7 THR OG1 1 1 5 802 1 1 8 SER C C 0.998 -2.169 7.680 1.00 . A A . 8 SER C 1 1 5 803 1 1 8 SER CA C 2.364 -1.874 7.066 1.00 . A A . 8 SER CA 1 1 5 804 1 1 8 SER CB C 2.438 -2.452 5.651 1.00 . A A . 8 SER CB 1 1 5 805 1 1 8 SER H H 4.072 -3.050 7.493 1.00 . A A . 8 SER H 1 1 5 806 1 1 8 SER HA H 2.496 -0.803 7.014 1.00 . A A . 8 SER HA 1 1 5 807 1 1 8 SER HB2 H 1.934 -1.786 4.966 1.00 . A A . 8 SER HB2 1 1 5 808 1 1 8 SER HB3 H 3.473 -2.553 5.359 1.00 . A A . 8 SER HB3 1 1 5 809 1 1 8 SER HG H 0.954 -3.640 5.177 1.00 . A A . 8 SER HG 1 1 5 810 1 1 8 SER N N 3.439 -2.415 7.891 1.00 . A A . 8 SER N 1 1 5 811 1 1 8 SER O O 0.111 -1.314 7.679 1.00 . A A . 8 SER O 1 1 5 812 1 1 8 SER OG O 1.819 -3.725 5.586 1.00 . A A . 8 SER OG 1 1 5 813 1 1 9 GLU C C -0.429 -3.477 10.312 1.00 . A A . 9 GLU C 1 1 5 814 1 1 9 GLU CA C -0.424 -3.792 8.818 1.00 . A A . 9 GLU CA 1 1 5 815 1 1 9 GLU CB C -0.669 -5.288 8.593 1.00 . A A . 9 GLU CB 1 1 5 816 1 1 9 GLU CD C 0.708 -7.407 8.597 1.00 . A A . 9 GLU CD 1 1 5 817 1 1 9 GLU CG C 0.264 -6.190 9.385 1.00 . A A . 9 GLU CG 1 1 5 818 1 1 9 GLU H H 1.580 -4.020 8.170 1.00 . A A . 9 GLU H 1 1 5 819 1 1 9 GLU HA H -1.217 -3.233 8.344 1.00 . A A . 9 GLU HA 1 1 5 820 1 1 9 GLU HB2 H -1.685 -5.519 8.878 1.00 . A A . 9 GLU HB2 1 1 5 821 1 1 9 GLU HB3 H -0.542 -5.507 7.543 1.00 . A A . 9 GLU HB3 1 1 5 822 1 1 9 GLU HG2 H 1.140 -5.624 9.666 1.00 . A A . 9 GLU HG2 1 1 5 823 1 1 9 GLU HG3 H -0.249 -6.523 10.276 1.00 . A A . 9 GLU HG3 1 1 5 824 1 1 9 GLU N N 0.836 -3.384 8.201 1.00 . A A . 9 GLU N 1 1 5 825 1 1 9 GLU O O -1.481 -3.218 10.897 1.00 . A A . 9 GLU O 1 1 5 826 1 1 9 GLU OE1 O 0.016 -8.425 8.563 1.00 . A A . 9 GLU OE1 1 1 5 827 1 1 10 PHE C C 1.160 -1.722 12.581 1.00 . A A . 10 PHE C 1 1 5 828 1 1 10 PHE CA C 0.882 -3.207 12.349 1.00 . A A . 10 PHE CA 1 1 5 829 1 1 10 PHE CB C 2.002 -4.050 12.961 1.00 . A A . 10 PHE CB 1 1 5 830 1 1 10 PHE CD1 C 0.423 -5.407 14.363 1.00 . A A . 10 PHE CD1 1 1 5 831 1 1 10 PHE CD2 C 2.449 -4.639 15.359 1.00 . A A . 10 PHE CD2 1 1 5 832 1 1 10 PHE CE1 C 0.067 -6.017 15.550 1.00 . A A . 10 PHE CE1 1 1 5 833 1 1 10 PHE CE2 C 2.098 -5.247 16.550 1.00 . A A . 10 PHE CE2 1 1 5 834 1 1 10 PHE CG C 1.617 -4.712 14.254 1.00 . A A . 10 PHE CG 1 1 5 835 1 1 10 PHE CZ C 0.905 -5.937 16.645 1.00 . A A . 10 PHE CZ 1 1 5 836 1 1 10 PHE H H 1.556 -3.707 10.404 1.00 . A A . 10 PHE H 1 1 5 837 1 1 10 PHE HA H -0.053 -3.464 12.825 1.00 . A A . 10 PHE HA 1 1 5 838 1 1 10 PHE HB2 H 2.281 -4.825 12.263 1.00 . A A . 10 PHE HB2 1 1 5 839 1 1 10 PHE HB3 H 2.857 -3.419 13.152 1.00 . A A . 10 PHE HB3 1 1 5 840 1 1 10 PHE HD1 H -0.233 -5.470 13.507 1.00 . A A . 10 PHE HD1 1 1 5 841 1 1 10 PHE HD2 H 3.382 -4.099 15.286 1.00 . A A . 10 PHE HD2 1 1 5 842 1 1 10 PHE HE1 H -0.866 -6.556 15.622 1.00 . A A . 10 PHE HE1 1 1 5 843 1 1 10 PHE HE2 H 2.756 -5.184 17.404 1.00 . A A . 10 PHE HE2 1 1 5 844 1 1 10 PHE HZ H 0.629 -6.414 17.574 1.00 . A A . 10 PHE HZ 1 1 5 845 1 1 10 PHE N N 0.752 -3.497 10.923 1.00 . A A . 10 PHE N 1 1 5 846 1 1 10 PHE O O 1.655 -1.330 13.638 1.00 . A A . 10 PHE O 1 1 5 847 1 1 11 . C C 0.696 1.190 10.330 1.00 . A A . 11 PH8 C 1 1 5 848 1 1 11 . CA C 1.048 0.539 11.662 1.00 . A A . 11 PH8 CA 1 1 5 849 1 1 11 . CB C 2.500 0.855 12.034 1.00 . A A . 11 PH8 CB 1 1 5 850 1 1 11 . CD1 C 3.048 4.310 14.850 1.00 . A A . 11 PH8 CD1 1 1 5 851 1 1 11 . CD2 C 3.364 5.476 12.794 1.00 . A A . 11 PH8 CD2 1 1 5 852 1 1 11 . CE1 C 2.792 5.506 15.493 1.00 . A A . 11 PH8 CE1 1 1 5 853 1 1 11 . CE2 C 3.109 6.675 13.432 1.00 . A A . 11 PH8 CE2 1 1 5 854 1 1 11 . CG C 3.336 4.281 13.495 1.00 . A A . 11 PH8 CG 1 1 5 855 1 1 11 . CI C 2.632 1.874 13.156 1.00 . A A . 11 PH8 CI 1 1 5 856 1 1 11 . CJ C 3.613 2.979 12.800 1.00 . A A . 11 PH8 CJ 1 1 5 857 1 1 11 . CZ C 2.823 6.690 14.783 1.00 . A A . 11 PH8 CZ 1 1 5 858 1 1 11 . HA H 0.393 0.930 12.427 1.00 . A A . 11 PH8 HA 1 1 5 859 1 1 11 . HB H 2.986 -0.057 12.347 1.00 . A A . 11 PH8 HB 1 1 5 860 1 1 11 . HBA H 3.008 1.242 11.163 1.00 . A A . 11 PH8 HBA 1 1 5 861 1 1 11 . HD1 H 3.024 3.384 15.407 1.00 . A A . 11 PH8 HD1 1 1 5 862 1 1 11 . HD2 H 3.588 5.465 11.738 1.00 . A A . 11 PH8 HD2 1 1 5 863 1 1 11 . HE1 H 2.568 5.515 16.550 1.00 . A A . 11 PH8 HE1 1 1 5 864 1 1 11 . HE2 H 3.134 7.600 12.874 1.00 . A A . 11 PH8 HE2 1 1 5 865 1 1 11 . HI H 1.663 2.314 13.345 1.00 . A A . 11 PH8 HI 1 1 5 866 1 1 11 . HIA H 2.980 1.371 14.046 1.00 . A A . 11 PH8 HIA 1 1 5 867 1 1 11 . HJ H 3.568 3.151 11.734 1.00 . A A . 11 PH8 HJ 1 1 5 868 1 1 11 . HJA H 4.609 2.659 13.069 1.00 . A A . 11 PH8 HJA 1 1 5 869 1 1 11 . HN H 0.447 -1.276 10.769 1.00 . A A . 11 PH8 HN 1 1 5 870 1 1 11 . HZ H 2.623 7.626 15.283 1.00 . A A . 11 PH8 HZ 1 1 5 871 1 1 11 . N N 0.838 -0.902 11.583 1.00 . A A . 11 PH8 N 1 1 5 872 1 1 11 . O O 0.139 2.287 10.288 1.00 . A A . 11 PH8 O 1 1 5 873 1 1 12 NH2 HN1 H 1.444 -0.373 9.356 1.00 . A A . 12 NH2 HN1 1 1 5 874 1 1 12 NH2 HN2 H 0.755 0.862 8.366 1.00 . A A . 12 NH2 HN2 1 1 5 875 1 1 12 NH2 N N 0.998 0.492 9.241 1.00 . A A . 12 NH2 N 1 1 6 876 1 1 1 HIS C C 9.450 -8.305 0.623 1.00 . A A . 1 HIS C 1 1 6 877 1 1 1 HIS CA C 10.786 -8.398 -0.107 1.00 . A A . 1 HIS CA 1 1 6 878 1 1 1 HIS CB C 11.733 -9.342 0.638 1.00 . A A . 1 HIS CB 1 1 6 879 1 1 1 HIS CD2 C 13.909 -10.191 -0.493 1.00 . A A . 1 HIS CD2 1 1 6 880 1 1 1 HIS CE1 C 15.140 -8.401 -0.203 1.00 . A A . 1 HIS CE1 1 1 6 881 1 1 1 HIS CG C 13.149 -9.276 0.156 1.00 . A A . 1 HIS CG 1 1 6 882 1 1 1 HIS H1 H 12.236 -7.107 -0.872 1.00 . A A . 1 HIS H1 1 1 6 883 1 1 1 HIS H2 H 11.778 -6.758 0.718 1.00 . A A . 1 HIS H2 1 1 6 884 1 1 1 HIS H3 H 10.748 -6.362 -0.564 1.00 . A A . 1 HIS H3 1 1 6 885 1 1 1 HIS HA H 10.617 -8.778 -1.104 1.00 . A A . 1 HIS HA 1 1 6 886 1 1 1 HIS HB2 H 11.730 -9.091 1.688 1.00 . A A . 1 HIS HB2 1 1 6 887 1 1 1 HIS HB3 H 11.387 -10.358 0.516 1.00 . A A . 1 HIS HB3 1 1 6 888 1 1 1 HIS HD1 H 13.687 -7.330 0.761 1.00 . A A . 1 HIS HD1 1 1 6 889 1 1 1 HIS HD2 H 13.602 -11.185 -0.789 1.00 . A A . 1 HIS HD2 1 1 6 890 1 1 1 HIS HE1 H 15.971 -7.711 -0.220 1.00 . A A . 1 HIS HE1 1 1 6 891 1 1 1 HIS HE2 H 15.925 -10.083 -1.068 1.00 . A A . 1 HIS HE2 1 1 6 892 1 1 1 HIS N N 11.432 -7.064 -0.214 1.00 . A A . 1 HIS N 1 1 6 893 1 1 1 HIS ND1 N 13.951 -8.166 0.322 1.00 . A A . 1 HIS ND1 1 1 6 894 1 1 1 HIS NE2 N 15.141 -9.622 -0.703 1.00 . A A . 1 HIS NE2 1 1 6 895 1 1 1 HIS O O 8.392 -8.520 0.031 1.00 . A A . 1 HIS O 1 1 6 896 1 1 2 ABA C C 8.679 -7.495 4.165 1.00 . A A . 2 AIB C 1 1 6 897 1 1 2 ABA CA C 8.294 -7.857 2.728 1.00 . A A . 2 AIB CA 1 1 6 898 1 1 2 ABA H H 10.378 -7.822 2.326 1.00 . A A . 2 AIB H 1 1 6 899 1 1 2 ABA N N 9.505 -7.981 1.912 1.00 . A A . 2 AIB N 1 1 6 900 1 1 2 ABA O O 8.034 -7.932 5.118 1.00 . A A . 2 AIB O 1 1 6 901 1 1 3 GLU C C 9.252 -5.240 6.233 1.00 . A A . 3 GLU C 1 1 6 902 1 1 3 GLU CA C 10.193 -6.276 5.630 1.00 . A A . 3 GLU CA 1 1 6 903 1 1 3 GLU CB C 11.609 -5.705 5.538 1.00 . A A . 3 GLU CB 1 1 6 904 1 1 3 GLU CD C 12.497 -3.423 4.913 1.00 . A A . 3 GLU CD 1 1 6 905 1 1 3 GLU CG C 11.777 -4.670 4.437 1.00 . A A . 3 GLU CG 1 1 6 906 1 1 3 GLU H H 10.202 -6.373 3.516 1.00 . A A . 3 GLU H 1 1 6 907 1 1 3 GLU HA H 10.205 -7.147 6.268 1.00 . A A . 3 GLU HA 1 1 6 908 1 1 3 GLU HB2 H 11.860 -5.242 6.481 1.00 . A A . 3 GLU HB2 1 1 6 909 1 1 3 GLU HB3 H 12.300 -6.515 5.350 1.00 . A A . 3 GLU HB3 1 1 6 910 1 1 3 GLU HG2 H 12.346 -5.109 3.631 1.00 . A A . 3 GLU HG2 1 1 6 911 1 1 3 GLU HG3 H 10.799 -4.388 4.074 1.00 . A A . 3 GLU HG3 1 1 6 912 1 1 3 GLU N N 9.730 -6.694 4.312 1.00 . A A . 3 GLU N 1 1 6 913 1 1 3 GLU O O 9.097 -5.162 7.451 1.00 . A A . 3 GLU O 1 1 6 914 1 1 3 GLU OE1 O 13.169 -3.490 5.963 1.00 . A A . 3 GLU OE1 1 1 6 915 1 1 3 GLU OE2 O 12.387 -2.380 4.236 1.00 . A A . 3 GLU OE2 1 1 6 916 1 1 4 GLY C C 6.265 -3.910 5.878 1.00 . A A . 4 GLY C 1 1 6 917 1 1 4 GLY CA C 7.704 -3.428 5.837 1.00 . A A . 4 GLY CA 1 1 6 918 1 1 4 GLY H H 8.786 -4.557 4.411 1.00 . A A . 4 GLY H 1 1 6 919 1 1 4 GLY HA2 H 7.998 -3.122 6.830 1.00 . A A . 4 GLY HA2 1 1 6 920 1 1 4 GLY HA3 H 7.767 -2.575 5.176 1.00 . A A . 4 GLY HA3 1 1 6 921 1 1 4 GLY N N 8.624 -4.448 5.371 1.00 . A A . 4 GLY N 1 1 6 922 1 1 4 GLY O O 5.360 -3.146 6.213 1.00 . A A . 4 GLY O 1 1 6 923 1 1 5 LYS C C 4.172 -5.861 6.969 1.00 . A A . 5 LYS C 1 1 6 924 1 1 5 LYS CA C 4.707 -5.750 5.542 1.00 . A A . 5 LYS CA 1 1 6 925 1 1 5 LYS CB C 4.714 -7.121 4.841 1.00 . A A . 5 LYS CB 1 1 6 926 1 1 5 LYS CD C 2.560 -8.022 5.795 1.00 . A A . 5 LYS CD 1 1 6 927 1 1 5 LYS CE C 2.077 -8.482 7.163 1.00 . A A . 5 LYS CE 1 1 6 928 1 1 5 LYS CG C 4.055 -8.250 5.626 1.00 . A A . 5 LYS CG 1 1 6 929 1 1 5 LYS H H 6.806 -5.745 5.281 1.00 . A A . 5 LYS H 1 1 6 930 1 1 5 LYS HA H 4.067 -5.079 4.988 1.00 . A A . 5 LYS HA 1 1 6 931 1 1 5 LYS HB2 H 4.197 -7.027 3.898 1.00 . A A . 5 LYS HB2 1 1 6 932 1 1 5 LYS HB3 H 5.739 -7.401 4.646 1.00 . A A . 5 LYS HB3 1 1 6 933 1 1 5 LYS HD2 H 2.351 -6.968 5.687 1.00 . A A . 5 LYS HD2 1 1 6 934 1 1 5 LYS HD3 H 2.033 -8.576 5.032 1.00 . A A . 5 LYS HD3 1 1 6 935 1 1 5 LYS HE2 H 1.304 -9.223 7.027 1.00 . A A . 5 LYS HE2 1 1 6 936 1 1 5 LYS HE3 H 2.907 -8.923 7.695 1.00 . A A . 5 LYS HE3 1 1 6 937 1 1 5 LYS HG2 H 4.207 -9.179 5.096 1.00 . A A . 5 LYS HG2 1 1 6 938 1 1 5 LYS HG3 H 4.513 -8.313 6.602 1.00 . A A . 5 LYS HG3 1 1 6 939 1 1 5 LYS HZ1 H 2.172 -6.713 8.302 1.00 . A A . 5 LYS HZ1 1 1 6 940 1 1 5 LYS N N 6.049 -5.180 5.539 1.00 . A A . 5 LYS N 1 1 6 941 1 1 5 LYS NZ N 1.538 -7.379 7.956 1.00 . A A . 5 LYS NZ 1 1 6 942 1 1 5 LYS O O 3.054 -5.436 7.256 1.00 . A A . 5 LYS O 1 1 6 943 1 1 6 PHE C C 4.105 -5.283 9.850 1.00 . A A . 6 PHE C 1 1 6 944 1 1 6 PHE CA C 4.581 -6.604 9.253 1.00 . A A . 6 PHE CA 1 1 6 945 1 1 6 PHE CB C 5.750 -7.155 10.071 1.00 . A A . 6 PHE CB 1 1 6 946 1 1 6 PHE CD1 C 6.205 -9.514 9.347 1.00 . A A . 6 PHE CD1 1 1 6 947 1 1 6 PHE CD2 C 5.095 -9.161 11.428 1.00 . A A . 6 PHE CD2 1 1 6 948 1 1 6 PHE CE1 C 6.143 -10.881 9.543 1.00 . A A . 6 PHE CE1 1 1 6 949 1 1 6 PHE CE2 C 5.030 -10.526 11.629 1.00 . A A . 6 PHE CE2 1 1 6 950 1 1 6 PHE CG C 5.682 -8.640 10.287 1.00 . A A . 6 PHE CG 1 1 6 951 1 1 6 PHE CZ C 5.555 -11.387 10.685 1.00 . A A . 6 PHE CZ 1 1 6 952 1 1 6 PHE H H 5.857 -6.756 7.569 1.00 . A A . 6 PHE H 1 1 6 953 1 1 6 PHE HA H 3.768 -7.313 9.283 1.00 . A A . 6 PHE HA 1 1 6 954 1 1 6 PHE HB2 H 6.675 -6.936 9.558 1.00 . A A . 6 PHE HB2 1 1 6 955 1 1 6 PHE HB3 H 5.760 -6.678 11.040 1.00 . A A . 6 PHE HB3 1 1 6 956 1 1 6 PHE HD1 H 6.666 -9.119 8.454 1.00 . A A . 6 PHE HD1 1 1 6 957 1 1 6 PHE HD2 H 4.684 -8.488 12.167 1.00 . A A . 6 PHE HD2 1 1 6 958 1 1 6 PHE HE1 H 6.553 -11.552 8.803 1.00 . A A . 6 PHE HE1 1 1 6 959 1 1 6 PHE HE2 H 4.569 -10.920 12.523 1.00 . A A . 6 PHE HE2 1 1 6 960 1 1 6 PHE HZ H 5.505 -12.455 10.840 1.00 . A A . 6 PHE HZ 1 1 6 961 1 1 6 PHE N N 4.977 -6.436 7.858 1.00 . A A . 6 PHE N 1 1 6 962 1 1 6 PHE O O 3.043 -5.216 10.471 1.00 . A A . 6 PHE O 1 1 6 963 1 1 7 THR C C 3.553 -2.204 9.287 1.00 . A A . 7 THR C 1 1 6 964 1 1 7 THR CA C 4.559 -2.920 10.183 1.00 . A A . 7 THR CA 1 1 6 965 1 1 7 THR CB C 5.810 -2.038 10.342 1.00 . A A . 7 THR CB 1 1 6 966 1 1 7 THR CG2 C 5.687 -1.140 11.563 1.00 . A A . 7 THR CG2 1 1 6 967 1 1 7 THR H H 5.733 -4.352 9.158 1.00 . A A . 7 THR H 1 1 6 968 1 1 7 THR HA H 4.117 -3.059 11.159 1.00 . A A . 7 THR HA 1 1 6 969 1 1 7 THR HB H 5.908 -1.415 9.464 1.00 . A A . 7 THR HB 1 1 6 970 1 1 7 THR HG1 H 6.907 -3.401 11.254 1.00 . A A . 7 THR HG1 1 1 6 971 1 1 7 THR HG21 H 6.189 -0.203 11.374 1.00 . A A . 7 THR HG21 1 1 6 972 1 1 7 THR HG22 H 6.140 -1.625 12.415 1.00 . A A . 7 THR HG22 1 1 6 973 1 1 7 THR HG23 H 4.643 -0.954 11.769 1.00 . A A . 7 THR HG23 1 1 6 974 1 1 7 THR N N 4.899 -4.236 9.660 1.00 . A A . 7 THR N 1 1 6 975 1 1 7 THR O O 2.864 -1.283 9.728 1.00 . A A . 7 THR O 1 1 6 976 1 1 7 THR OG1 O 6.977 -2.860 10.464 1.00 . A A . 7 THR OG1 1 1 6 977 1 1 8 SER C C 1.103 -2.139 7.577 1.00 . A A . 8 SER C 1 1 6 978 1 1 8 SER CA C 2.542 -2.020 7.083 1.00 . A A . 8 SER CA 1 1 6 979 1 1 8 SER CB C 2.678 -2.677 5.708 1.00 . A A . 8 SER CB 1 1 6 980 1 1 8 SER H H 4.041 -3.365 7.732 1.00 . A A . 8 SER H 1 1 6 981 1 1 8 SER HA H 2.795 -0.974 6.998 1.00 . A A . 8 SER HA 1 1 6 982 1 1 8 SER HB2 H 3.558 -2.294 5.213 1.00 . A A . 8 SER HB2 1 1 6 983 1 1 8 SER HB3 H 2.772 -3.746 5.830 1.00 . A A . 8 SER HB3 1 1 6 984 1 1 8 SER HG H 0.806 -2.941 5.194 1.00 . A A . 8 SER HG 1 1 6 985 1 1 8 SER N N 3.469 -2.628 8.030 1.00 . A A . 8 SER N 1 1 6 986 1 1 8 SER O O 0.342 -1.171 7.544 1.00 . A A . 8 SER O 1 1 6 987 1 1 8 SER OG O 1.547 -2.408 4.897 1.00 . A A . 8 SER OG 1 1 6 988 1 1 9 GLU C C -0.712 -3.230 10.021 1.00 . A A . 9 GLU C 1 1 6 989 1 1 9 GLU CA C -0.609 -3.579 8.540 1.00 . A A . 9 GLU CA 1 1 6 990 1 1 9 GLU CB C -1.002 -5.041 8.316 1.00 . A A . 9 GLU CB 1 1 6 991 1 1 9 GLU CD C 0.246 -7.235 8.231 1.00 . A A . 9 GLU CD 1 1 6 992 1 1 9 GLU CG C -0.128 -6.030 9.070 1.00 . A A . 9 GLU CG 1 1 6 993 1 1 9 GLU H H 1.390 -4.064 8.039 1.00 . A A . 9 GLU H 1 1 6 994 1 1 9 GLU HA H -1.286 -2.946 7.988 1.00 . A A . 9 GLU HA 1 1 6 995 1 1 9 GLU HB2 H -2.024 -5.180 8.636 1.00 . A A . 9 GLU HB2 1 1 6 996 1 1 9 GLU HB3 H -0.932 -5.263 7.261 1.00 . A A . 9 GLU HB3 1 1 6 997 1 1 9 GLU HG2 H 0.778 -5.529 9.375 1.00 . A A . 9 GLU HG2 1 1 6 998 1 1 9 GLU HG3 H -0.664 -6.370 9.944 1.00 . A A . 9 GLU HG3 1 1 6 999 1 1 9 GLU N N 0.738 -3.333 8.037 1.00 . A A . 9 GLU N 1 1 6 1000 1 1 9 GLU O O -1.736 -2.723 10.479 1.00 . A A . 9 GLU O 1 1 6 1001 1 1 9 GLU OE1 O -0.563 -8.140 8.027 1.00 . A A . 9 GLU OE1 1 1 6 1002 1 1 10 PHE C C 0.365 -1.699 12.427 1.00 . A A . 10 PHE C 1 1 6 1003 1 1 10 PHE CA C 0.383 -3.205 12.193 1.00 . A A . 10 PHE CA 1 1 6 1004 1 1 10 PHE CB C 1.626 -3.817 12.840 1.00 . A A . 10 PHE CB 1 1 6 1005 1 1 10 PHE CD1 C 0.802 -6.159 12.472 1.00 . A A . 10 PHE CD1 1 1 6 1006 1 1 10 PHE CD2 C 1.885 -5.650 14.535 1.00 . A A . 10 PHE CD2 1 1 6 1007 1 1 10 PHE CE1 C 0.623 -7.466 12.885 1.00 . A A . 10 PHE CE1 1 1 6 1008 1 1 10 PHE CE2 C 1.710 -6.956 14.953 1.00 . A A . 10 PHE CE2 1 1 6 1009 1 1 10 PHE CG C 1.433 -5.237 13.292 1.00 . A A . 10 PHE CG 1 1 6 1010 1 1 10 PHE CZ C 1.078 -7.865 14.126 1.00 . A A . 10 PHE CZ 1 1 6 1011 1 1 10 PHE H H 1.145 -3.898 10.344 1.00 . A A . 10 PHE H 1 1 6 1012 1 1 10 PHE HA H -0.499 -3.639 12.640 1.00 . A A . 10 PHE HA 1 1 6 1013 1 1 10 PHE HB2 H 2.437 -3.804 12.126 1.00 . A A . 10 PHE HB2 1 1 6 1014 1 1 10 PHE HB3 H 1.903 -3.228 13.701 1.00 . A A . 10 PHE HB3 1 1 6 1015 1 1 10 PHE HD1 H 0.446 -5.848 11.501 1.00 . A A . 10 PHE HD1 1 1 6 1016 1 1 10 PHE HD2 H 2.378 -4.940 15.182 1.00 . A A . 10 PHE HD2 1 1 6 1017 1 1 10 PHE HE1 H 0.129 -8.174 12.236 1.00 . A A . 10 PHE HE1 1 1 6 1018 1 1 10 PHE HE2 H 2.067 -7.265 15.924 1.00 . A A . 10 PHE HE2 1 1 6 1019 1 1 10 PHE HZ H 0.940 -8.886 14.450 1.00 . A A . 10 PHE HZ 1 1 6 1020 1 1 10 PHE N N 0.356 -3.499 10.765 1.00 . A A . 10 PHE N 1 1 6 1021 1 1 10 PHE O O -0.434 -1.189 13.213 1.00 . A A . 10 PHE O 1 1 6 1022 1 1 11 . C C 0.824 1.131 10.583 1.00 . A A . 11 PH8 C 1 1 6 1023 1 1 11 . CA C 1.342 0.454 11.848 1.00 . A A . 11 PH8 CA 1 1 6 1024 1 1 11 . CB C 2.789 0.873 12.110 1.00 . A A . 11 PH8 CB 1 1 6 1025 1 1 11 . CD1 C 3.696 5.121 13.222 1.00 . A A . 11 PH8 CD1 1 1 6 1026 1 1 11 . CD2 C 4.563 4.038 15.162 1.00 . A A . 11 PH8 CD2 1 1 6 1027 1 1 11 . CE1 C 4.450 6.243 13.508 1.00 . A A . 11 PH8 CE1 1 1 6 1028 1 1 11 . CE2 C 5.319 5.158 15.453 1.00 . A A . 11 PH8 CE2 1 1 6 1029 1 1 11 . CG C 3.744 4.007 14.044 1.00 . A A . 11 PH8 CG 1 1 6 1030 1 1 11 . CI C 2.969 2.374 12.270 1.00 . A A . 11 PH8 CI 1 1 6 1031 1 1 11 . CJ C 2.923 2.788 13.732 1.00 . A A . 11 PH8 CJ 1 1 6 1032 1 1 11 . CZ C 5.262 6.262 14.625 1.00 . A A . 11 PH8 CZ 1 1 6 1033 1 1 11 . HA H 0.730 0.759 12.683 1.00 . A A . 11 PH8 HA 1 1 6 1034 1 1 11 . HB H 3.133 0.393 13.015 1.00 . A A . 11 PH8 HB 1 1 6 1035 1 1 11 . HBA H 3.402 0.545 11.284 1.00 . A A . 11 PH8 HBA 1 1 6 1036 1 1 11 . HD1 H 3.061 5.108 12.348 1.00 . A A . 11 PH8 HD1 1 1 6 1037 1 1 11 . HD2 H 4.608 3.175 15.810 1.00 . A A . 11 PH8 HD2 1 1 6 1038 1 1 11 . HE1 H 4.404 7.105 12.859 1.00 . A A . 11 PH8 HE1 1 1 6 1039 1 1 11 . HE2 H 5.953 5.169 16.327 1.00 . A A . 11 PH8 HE2 1 1 6 1040 1 1 11 . HI H 3.924 2.659 11.855 1.00 . A A . 11 PH8 HI 1 1 6 1041 1 1 11 . HIA H 2.177 2.880 11.738 1.00 . A A . 11 PH8 HIA 1 1 6 1042 1 1 11 . HJ H 3.292 1.971 14.335 1.00 . A A . 11 PH8 HJ 1 1 6 1043 1 1 11 . HJA H 1.898 2.996 14.000 1.00 . A A . 11 PH8 HJA 1 1 6 1044 1 1 11 . HN H 1.855 -1.463 11.117 1.00 . A A . 11 PH8 HN 1 1 6 1045 1 1 11 . HZ H 5.852 7.138 14.851 1.00 . A A . 11 PH8 HZ 1 1 6 1046 1 1 11 . N N 1.250 -0.995 11.730 1.00 . A A . 11 PH8 N 1 1 6 1047 1 1 11 . O O 0.303 2.246 10.631 1.00 . A A . 11 PH8 O 1 1 6 1048 1 1 12 NH2 HN1 H 1.388 -0.429 9.486 1.00 . A A . 12 NH2 HN1 1 1 6 1049 1 1 12 NH2 HN2 H 0.634 0.861 8.620 1.00 . A A . 12 NH2 HN2 1 1 6 1050 1 1 12 NH2 N N 0.963 0.453 9.448 1.00 . A A . 12 NH2 N 1 1 7 1051 1 1 1 HIS C C 10.062 -8.787 2.157 1.00 . A A . 1 HIS C 1 1 7 1052 1 1 1 HIS CA C 11.304 -9.650 1.964 1.00 . A A . 1 HIS CA 1 1 7 1053 1 1 1 HIS CB C 11.317 -10.252 0.558 1.00 . A A . 1 HIS CB 1 1 7 1054 1 1 1 HIS CD2 C 13.375 -9.860 -0.971 1.00 . A A . 1 HIS CD2 1 1 7 1055 1 1 1 HIS CE1 C 14.678 -11.427 -0.162 1.00 . A A . 1 HIS CE1 1 1 7 1056 1 1 1 HIS CG C 12.694 -10.484 0.019 1.00 . A A . 1 HIS CG 1 1 7 1057 1 1 1 HIS H1 H 12.006 -11.497 2.635 1.00 . A A . 1 HIS H1 1 1 7 1058 1 1 1 HIS H2 H 10.401 -11.177 3.063 1.00 . A A . 1 HIS H2 1 1 7 1059 1 1 1 HIS H3 H 11.664 -10.401 3.878 1.00 . A A . 1 HIS H3 1 1 7 1060 1 1 1 HIS HA H 12.183 -9.037 2.097 1.00 . A A . 1 HIS HA 1 1 7 1061 1 1 1 HIS HB2 H 10.803 -11.201 0.576 1.00 . A A . 1 HIS HB2 1 1 7 1062 1 1 1 HIS HB3 H 10.803 -9.582 -0.116 1.00 . A A . 1 HIS HB3 1 1 7 1063 1 1 1 HIS HD1 H 13.332 -12.086 1.231 1.00 . A A . 1 HIS HD1 1 1 7 1064 1 1 1 HIS HD2 H 13.018 -9.038 -1.576 1.00 . A A . 1 HIS HD2 1 1 7 1065 1 1 1 HIS HE1 H 15.525 -12.077 0.001 1.00 . A A . 1 HIS HE1 1 1 7 1066 1 1 1 HIS HE2 H 15.342 -10.171 -1.636 1.00 . A A . 1 HIS HE2 1 1 7 1067 1 1 1 HIS N N 11.347 -10.758 2.954 1.00 . A A . 1 HIS N 1 1 7 1068 1 1 1 HIS ND1 N 13.537 -11.461 0.505 1.00 . A A . 1 HIS ND1 1 1 7 1069 1 1 1 HIS NE2 N 14.604 -10.465 -1.063 1.00 . A A . 1 HIS NE2 1 1 7 1070 1 1 1 HIS O O 9.025 -9.267 2.615 1.00 . A A . 1 HIS O 1 1 7 1071 1 1 2 ABA C C 8.638 -6.485 3.406 1.00 . A A . 2 AIB C 1 1 7 1072 1 1 2 ABA CA C 9.056 -6.574 1.936 1.00 . A A . 2 AIB CA 1 1 7 1073 1 1 2 ABA H H 11.026 -7.187 1.443 1.00 . A A . 2 AIB H 1 1 7 1074 1 1 2 ABA N N 10.174 -7.510 1.802 1.00 . A A . 2 AIB N 1 1 7 1075 1 1 2 ABA O O 7.529 -6.874 3.773 1.00 . A A . 2 AIB O 1 1 7 1076 1 1 3 GLU C C 8.238 -4.732 5.921 1.00 . A A . 3 GLU C 1 1 7 1077 1 1 3 GLU CA C 9.265 -5.831 5.665 1.00 . A A . 3 GLU CA 1 1 7 1078 1 1 3 GLU CB C 10.557 -5.525 6.424 1.00 . A A . 3 GLU CB 1 1 7 1079 1 1 3 GLU CD C 12.368 -7.088 7.241 1.00 . A A . 3 GLU CD 1 1 7 1080 1 1 3 GLU CG C 11.717 -6.430 6.040 1.00 . A A . 3 GLU CG 1 1 7 1081 1 1 3 GLU H H 10.403 -5.679 3.888 1.00 . A A . 3 GLU H 1 1 7 1082 1 1 3 GLU HA H 8.865 -6.770 6.019 1.00 . A A . 3 GLU HA 1 1 7 1083 1 1 3 GLU HB2 H 10.845 -4.503 6.224 1.00 . A A . 3 GLU HB2 1 1 7 1084 1 1 3 GLU HB3 H 10.375 -5.637 7.483 1.00 . A A . 3 GLU HB3 1 1 7 1085 1 1 3 GLU HG2 H 11.350 -7.203 5.381 1.00 . A A . 3 GLU HG2 1 1 7 1086 1 1 3 GLU HG3 H 12.460 -5.841 5.523 1.00 . A A . 3 GLU HG3 1 1 7 1087 1 1 3 GLU N N 9.537 -5.971 4.240 1.00 . A A . 3 GLU N 1 1 7 1088 1 1 3 GLU O O 7.495 -4.779 6.901 1.00 . A A . 3 GLU O 1 1 7 1089 1 1 3 GLU OE1 O 12.949 -6.361 8.074 1.00 . A A . 3 GLU OE1 1 1 7 1090 1 1 3 GLU OE2 O 12.296 -8.330 7.349 1.00 . A A . 3 GLU OE2 1 1 7 1091 1 1 4 GLY C C 5.821 -3.119 5.252 1.00 . A A . 4 GLY C 1 1 7 1092 1 1 4 GLY CA C 7.260 -2.647 5.181 1.00 . A A . 4 GLY CA 1 1 7 1093 1 1 4 GLY H H 8.816 -3.758 4.270 1.00 . A A . 4 GLY H 1 1 7 1094 1 1 4 GLY HA2 H 7.495 -2.108 6.087 1.00 . A A . 4 GLY HA2 1 1 7 1095 1 1 4 GLY HA3 H 7.368 -1.979 4.340 1.00 . A A . 4 GLY HA3 1 1 7 1096 1 1 4 GLY N N 8.201 -3.743 5.032 1.00 . A A . 4 GLY N 1 1 7 1097 1 1 4 GLY O O 4.966 -2.437 5.817 1.00 . A A . 4 GLY O 1 1 7 1098 1 1 5 LYS C C 3.816 -5.288 6.095 1.00 . A A . 5 LYS C 1 1 7 1099 1 1 5 LYS CA C 4.207 -4.851 4.684 1.00 . A A . 5 LYS CA 1 1 7 1100 1 1 5 LYS CB C 4.129 -6.031 3.701 1.00 . A A . 5 LYS CB 1 1 7 1101 1 1 5 LYS CD C 1.788 -6.600 4.457 1.00 . A A . 5 LYS CD 1 1 7 1102 1 1 5 LYS CE C 1.372 -7.005 5.863 1.00 . A A . 5 LYS CE 1 1 7 1103 1 1 5 LYS CG C 3.167 -7.142 4.110 1.00 . A A . 5 LYS CG 1 1 7 1104 1 1 5 LYS H H 6.276 -4.786 4.246 1.00 . A A . 5 LYS H 1 1 7 1105 1 1 5 LYS HA H 3.525 -4.078 4.360 1.00 . A A . 5 LYS HA 1 1 7 1106 1 1 5 LYS HB2 H 3.814 -5.656 2.738 1.00 . A A . 5 LYS HB2 1 1 7 1107 1 1 5 LYS HB3 H 5.115 -6.460 3.600 1.00 . A A . 5 LYS HB3 1 1 7 1108 1 1 5 LYS HD2 H 1.808 -5.522 4.395 1.00 . A A . 5 LYS HD2 1 1 7 1109 1 1 5 LYS HD3 H 1.070 -6.991 3.752 1.00 . A A . 5 LYS HD3 1 1 7 1110 1 1 5 LYS HE2 H 0.795 -7.916 5.805 1.00 . A A . 5 LYS HE2 1 1 7 1111 1 1 5 LYS HE3 H 2.259 -7.180 6.451 1.00 . A A . 5 LYS HE3 1 1 7 1112 1 1 5 LYS HG2 H 3.071 -7.838 3.291 1.00 . A A . 5 LYS HG2 1 1 7 1113 1 1 5 LYS HG3 H 3.572 -7.653 4.971 1.00 . A A . 5 LYS HG3 1 1 7 1114 1 1 5 LYS HZ1 H 1.005 -5.402 7.180 1.00 . A A . 5 LYS HZ1 1 1 7 1115 1 1 5 LYS N N 5.552 -4.288 4.680 1.00 . A A . 5 LYS N 1 1 7 1116 1 1 5 LYS NZ N 0.565 -5.977 6.515 1.00 . A A . 5 LYS NZ 1 1 7 1117 1 1 5 LYS O O 2.866 -4.762 6.680 1.00 . A A . 5 LYS O 1 1 7 1118 1 1 6 PHE C C 4.026 -5.630 8.957 1.00 . A A . 6 PHE C 1 1 7 1119 1 1 6 PHE CA C 4.298 -6.767 7.978 1.00 . A A . 6 PHE CA 1 1 7 1120 1 1 6 PHE CB C 5.489 -7.595 8.464 1.00 . A A . 6 PHE CB 1 1 7 1121 1 1 6 PHE CD1 C 6.210 -9.141 6.625 1.00 . A A . 6 PHE CD1 1 1 7 1122 1 1 6 PHE CD2 C 5.001 -10.056 8.465 1.00 . A A . 6 PHE CD2 1 1 7 1123 1 1 6 PHE CE1 C 6.285 -10.395 6.047 1.00 . A A . 6 PHE CE1 1 1 7 1124 1 1 6 PHE CE2 C 5.072 -11.312 7.892 1.00 . A A . 6 PHE CE2 1 1 7 1125 1 1 6 PHE CG C 5.568 -8.958 7.839 1.00 . A A . 6 PHE CG 1 1 7 1126 1 1 6 PHE CZ C 5.715 -11.481 6.681 1.00 . A A . 6 PHE CZ 1 1 7 1127 1 1 6 PHE H H 5.301 -6.628 6.118 1.00 . A A . 6 PHE H 1 1 7 1128 1 1 6 PHE HA H 3.427 -7.402 7.930 1.00 . A A . 6 PHE HA 1 1 7 1129 1 1 6 PHE HB2 H 6.403 -7.069 8.230 1.00 . A A . 6 PHE HB2 1 1 7 1130 1 1 6 PHE HB3 H 5.417 -7.721 9.534 1.00 . A A . 6 PHE HB3 1 1 7 1131 1 1 6 PHE HD1 H 6.656 -8.293 6.128 1.00 . A A . 6 PHE HD1 1 1 7 1132 1 1 6 PHE HD2 H 4.497 -9.925 9.412 1.00 . A A . 6 PHE HD2 1 1 7 1133 1 1 6 PHE HE1 H 6.789 -10.524 5.100 1.00 . A A . 6 PHE HE1 1 1 7 1134 1 1 6 PHE HE2 H 4.626 -12.160 8.390 1.00 . A A . 6 PHE HE2 1 1 7 1135 1 1 6 PHE HZ H 5.772 -12.461 6.231 1.00 . A A . 6 PHE HZ 1 1 7 1136 1 1 6 PHE N N 4.558 -6.253 6.635 1.00 . A A . 6 PHE N 1 1 7 1137 1 1 6 PHE O O 3.159 -5.735 9.825 1.00 . A A . 6 PHE O 1 1 7 1138 1 1 7 THR C C 3.536 -2.444 9.156 1.00 . A A . 7 THR C 1 1 7 1139 1 1 7 THR CA C 4.614 -3.387 9.675 1.00 . A A . 7 THR CA 1 1 7 1140 1 1 7 THR CB C 5.937 -2.611 9.830 1.00 . A A . 7 THR CB 1 1 7 1141 1 1 7 THR CG2 C 6.378 -2.011 8.502 1.00 . A A . 7 THR CG2 1 1 7 1142 1 1 7 THR H H 5.446 -4.520 8.095 1.00 . A A . 7 THR H 1 1 7 1143 1 1 7 THR HA H 4.315 -3.748 10.646 1.00 . A A . 7 THR HA 1 1 7 1144 1 1 7 THR HB H 6.701 -3.297 10.168 1.00 . A A . 7 THR HB 1 1 7 1145 1 1 7 THR HG1 H 6.636 -1.163 10.973 1.00 . A A . 7 THR HG1 1 1 7 1146 1 1 7 THR HG21 H 5.850 -1.084 8.333 1.00 . A A . 7 THR HG21 1 1 7 1147 1 1 7 THR HG22 H 6.155 -2.703 7.703 1.00 . A A . 7 THR HG22 1 1 7 1148 1 1 7 THR HG23 H 7.441 -1.821 8.528 1.00 . A A . 7 THR HG23 1 1 7 1149 1 1 7 THR N N 4.773 -4.543 8.806 1.00 . A A . 7 THR N 1 1 7 1150 1 1 7 THR O O 2.864 -1.769 9.935 1.00 . A A . 7 THR O 1 1 7 1151 1 1 7 THR OG1 O 5.783 -1.569 10.801 1.00 . A A . 7 THR OG1 1 1 7 1152 1 1 8 SER C C 1.014 -1.734 7.908 1.00 . A A . 8 SER C 1 1 7 1153 1 1 8 SER CA C 2.363 -1.540 7.227 1.00 . A A . 8 SER CA 1 1 7 1154 1 1 8 SER CB C 2.243 -1.836 5.731 1.00 . A A . 8 SER CB 1 1 7 1155 1 1 8 SER H H 3.931 -2.964 7.265 1.00 . A A . 8 SER H 1 1 7 1156 1 1 8 SER HA H 2.678 -0.515 7.360 1.00 . A A . 8 SER HA 1 1 7 1157 1 1 8 SER HB2 H 2.504 -2.867 5.548 1.00 . A A . 8 SER HB2 1 1 7 1158 1 1 8 SER HB3 H 1.225 -1.661 5.413 1.00 . A A . 8 SER HB3 1 1 7 1159 1 1 8 SER HG H 2.726 -0.128 4.904 1.00 . A A . 8 SER HG 1 1 7 1160 1 1 8 SER N N 3.370 -2.402 7.838 1.00 . A A . 8 SER N 1 1 7 1161 1 1 8 SER O O 0.248 -0.785 8.080 1.00 . A A . 8 SER O 1 1 7 1162 1 1 8 SER OG O 3.107 -1.006 4.975 1.00 . A A . 8 SER OG 1 1 7 1163 1 1 9 GLU C C -0.340 -3.311 10.481 1.00 . A A . 9 GLU C 1 1 7 1164 1 1 9 GLU CA C -0.517 -3.302 8.968 1.00 . A A . 9 GLU CA 1 1 7 1165 1 1 9 GLU CB C -1.035 -4.658 8.491 1.00 . A A . 9 GLU CB 1 1 7 1166 1 1 9 GLU CD C -0.722 -5.786 6.252 1.00 . A A . 9 GLU CD 1 1 7 1167 1 1 9 GLU CG C -1.407 -4.675 7.019 1.00 . A A . 9 GLU CG 1 1 7 1168 1 1 9 GLU H H 1.392 -3.686 8.134 1.00 . A A . 9 GLU H 1 1 7 1169 1 1 9 GLU HA H -1.236 -2.543 8.710 1.00 . A A . 9 GLU HA 1 1 7 1170 1 1 9 GLU HB2 H -0.271 -5.402 8.659 1.00 . A A . 9 GLU HB2 1 1 7 1171 1 1 9 GLU HB3 H -1.911 -4.918 9.066 1.00 . A A . 9 GLU HB3 1 1 7 1172 1 1 9 GLU HG2 H -2.473 -4.808 6.934 1.00 . A A . 9 GLU HG2 1 1 7 1173 1 1 9 GLU HG3 H -1.128 -3.728 6.579 1.00 . A A . 9 GLU HG3 1 1 7 1174 1 1 9 GLU N N 0.735 -2.974 8.298 1.00 . A A . 9 GLU N 1 1 7 1175 1 1 9 GLU O O -1.162 -2.762 11.215 1.00 . A A . 9 GLU O 1 1 7 1176 1 1 9 GLU OE1 O -1.372 -6.574 5.565 1.00 . A A . 9 GLU OE1 1 1 7 1177 1 1 10 PHE C C 1.130 -2.612 12.973 1.00 . A A . 10 PHE C 1 1 7 1178 1 1 10 PHE CA C 1.022 -4.010 12.371 1.00 . A A . 10 PHE CA 1 1 7 1179 1 1 10 PHE CB C 2.316 -4.787 12.618 1.00 . A A . 10 PHE CB 1 1 7 1180 1 1 10 PHE CD1 C 1.244 -6.971 12.002 1.00 . A A . 10 PHE CD1 1 1 7 1181 1 1 10 PHE CD2 C 2.759 -6.931 13.844 1.00 . A A . 10 PHE CD2 1 1 7 1182 1 1 10 PHE CE1 C 1.045 -8.326 12.191 1.00 . A A . 10 PHE CE1 1 1 7 1183 1 1 10 PHE CE2 C 2.564 -8.286 14.038 1.00 . A A . 10 PHE CE2 1 1 7 1184 1 1 10 PHE CG C 2.102 -6.259 12.826 1.00 . A A . 10 PHE CG 1 1 7 1185 1 1 10 PHE CZ C 1.706 -8.984 13.210 1.00 . A A . 10 PHE CZ 1 1 7 1186 1 1 10 PHE H H 1.357 -4.351 10.306 1.00 . A A . 10 PHE H 1 1 7 1187 1 1 10 PHE HA H 0.203 -4.530 12.845 1.00 . A A . 10 PHE HA 1 1 7 1188 1 1 10 PHE HB2 H 2.970 -4.663 11.769 1.00 . A A . 10 PHE HB2 1 1 7 1189 1 1 10 PHE HB3 H 2.801 -4.393 13.500 1.00 . A A . 10 PHE HB3 1 1 7 1190 1 1 10 PHE HD1 H 0.727 -6.458 11.205 1.00 . A A . 10 PHE HD1 1 1 7 1191 1 1 10 PHE HD2 H 3.429 -6.386 14.492 1.00 . A A . 10 PHE HD2 1 1 7 1192 1 1 10 PHE HE1 H 0.374 -8.869 11.543 1.00 . A A . 10 PHE HE1 1 1 7 1193 1 1 10 PHE HE2 H 3.082 -8.798 14.835 1.00 . A A . 10 PHE HE2 1 1 7 1194 1 1 10 PHE HZ H 1.552 -10.042 13.360 1.00 . A A . 10 PHE HZ 1 1 7 1195 1 1 10 PHE N N 0.737 -3.935 10.942 1.00 . A A . 10 PHE N 1 1 7 1196 1 1 10 PHE O O 0.843 -2.408 14.153 1.00 . A A . 10 PHE O 1 1 7 1197 1 1 11 . C C 1.543 0.691 11.416 1.00 . A A . 11 PH8 C 1 1 7 1198 1 1 11 . CA C 1.685 -0.271 12.593 1.00 . A A . 11 PH8 CA 1 1 7 1199 1 1 11 . CB C 3.041 -0.070 13.276 1.00 . A A . 11 PH8 CB 1 1 7 1200 1 1 11 . CD1 C 4.441 2.598 15.225 1.00 . A A . 11 PH8 CD1 1 1 7 1201 1 1 11 . CD2 C 5.082 1.600 17.293 1.00 . A A . 11 PH8 CD2 1 1 7 1202 1 1 11 . CE1 C 4.708 3.851 15.743 1.00 . A A . 11 PH8 CE1 1 1 7 1203 1 1 11 . CE2 C 5.351 2.850 17.817 1.00 . A A . 11 PH8 CE2 1 1 7 1204 1 1 11 . CG C 4.625 1.460 15.993 1.00 . A A . 11 PH8 CG 1 1 7 1205 1 1 11 . CI C 2.956 -0.020 14.793 1.00 . A A . 11 PH8 CI 1 1 7 1206 1 1 11 . CJ C 4.334 0.099 15.427 1.00 . A A . 11 PH8 CJ 1 1 7 1207 1 1 11 . CZ C 5.164 3.977 17.041 1.00 . A A . 11 PH8 CZ 1 1 7 1208 1 1 11 . HA H 0.899 -0.068 13.306 1.00 . A A . 11 PH8 HA 1 1 7 1209 1 1 11 . HB H 3.693 -0.885 13.000 1.00 . A A . 11 PH8 HB 1 1 7 1210 1 1 11 . HBA H 3.473 0.857 12.930 1.00 . A A . 11 PH8 HBA 1 1 7 1211 1 1 11 . HD1 H 4.085 2.501 14.210 1.00 . A A . 11 PH8 HD1 1 1 7 1212 1 1 11 . HD2 H 5.229 0.719 17.901 1.00 . A A . 11 PH8 HD2 1 1 7 1213 1 1 11 . HE1 H 4.562 4.731 15.134 1.00 . A A . 11 PH8 HE1 1 1 7 1214 1 1 11 . HE2 H 5.707 2.945 18.833 1.00 . A A . 11 PH8 HE2 1 1 7 1215 1 1 11 . HI H 2.363 0.835 15.082 1.00 . A A . 11 PH8 HI 1 1 7 1216 1 1 11 . HIA H 2.485 -0.924 15.148 1.00 . A A . 11 PH8 HIA 1 1 7 1217 1 1 11 . HJ H 5.080 -0.119 14.678 1.00 . A A . 11 PH8 HJ 1 1 7 1218 1 1 11 . HJA H 4.409 -0.621 16.228 1.00 . A A . 11 PH8 HJA 1 1 7 1219 1 1 11 . HN H 1.751 -1.878 11.221 1.00 . A A . 11 PH8 HN 1 1 7 1220 1 1 11 . HZ H 5.374 4.955 17.449 1.00 . A A . 11 PH8 HZ 1 1 7 1221 1 1 11 . N N 1.541 -1.652 12.151 1.00 . A A . 11 PH8 N 1 1 7 1222 1 1 11 . O O 2.105 1.786 11.425 1.00 . A A . 11 PH8 O 1 1 7 1223 1 1 12 NH2 HN1 H 0.375 -0.606 10.461 1.00 . A A . 12 NH2 HN1 1 1 7 1224 1 1 12 NH2 HN2 H 0.688 0.875 9.629 1.00 . A A . 12 NH2 HN2 1 1 7 1225 1 1 12 NH2 N N 0.792 0.278 10.400 1.00 . A A . 12 NH2 N 1 1 8 1226 1 1 1 HIS C C 10.209 -8.536 1.783 1.00 . A A . 1 HIS C 1 1 8 1227 1 1 1 HIS CA C 10.196 -9.943 1.187 1.00 . A A . 1 HIS CA 1 1 8 1228 1 1 1 HIS CB C 11.566 -10.273 0.589 1.00 . A A . 1 HIS CB 1 1 8 1229 1 1 1 HIS CD2 C 12.209 -11.949 -1.285 1.00 . A A . 1 HIS CD2 1 1 8 1230 1 1 1 HIS CE1 C 11.192 -13.722 -0.492 1.00 . A A . 1 HIS CE1 1 1 8 1231 1 1 1 HIS CG C 11.608 -11.589 -0.125 1.00 . A A . 1 HIS CG 1 1 8 1232 1 1 1 HIS H1 H 9.206 -11.031 -0.295 1.00 . A A . 1 HIS H1 1 1 8 1233 1 1 1 HIS H2 H 9.340 -9.379 -0.631 1.00 . A A . 1 HIS H2 1 1 8 1234 1 1 1 HIS H3 H 8.220 -9.919 0.515 1.00 . A A . 1 HIS H3 1 1 8 1235 1 1 1 HIS HA H 9.971 -10.653 1.969 1.00 . A A . 1 HIS HA 1 1 8 1236 1 1 1 HIS HB2 H 11.837 -9.504 -0.118 1.00 . A A . 1 HIS HB2 1 1 8 1237 1 1 1 HIS HB3 H 12.299 -10.301 1.382 1.00 . A A . 1 HIS HB3 1 1 8 1238 1 1 1 HIS HD1 H 10.456 -12.786 1.173 1.00 . A A . 1 HIS HD1 1 1 8 1239 1 1 1 HIS HD2 H 12.794 -11.308 -1.929 1.00 . A A . 1 HIS HD2 1 1 8 1240 1 1 1 HIS HE1 H 10.820 -14.730 -0.380 1.00 . A A . 1 HIS HE1 1 1 8 1241 1 1 1 HIS HE2 H 12.299 -13.831 -2.211 1.00 . A A . 1 HIS HE2 1 1 8 1242 1 1 1 HIS N N 9.169 -10.077 0.119 1.00 . A A . 1 HIS N 1 1 8 1243 1 1 1 HIS ND1 N 10.980 -12.723 0.346 1.00 . A A . 1 HIS ND1 1 1 8 1244 1 1 1 HIS NE2 N 11.934 -13.279 -1.489 1.00 . A A . 1 HIS NE2 1 1 8 1245 1 1 1 HIS O O 11.047 -8.222 2.628 1.00 . A A . 1 HIS O 1 1 8 1246 1 1 2 ABA C C 8.911 -6.334 3.344 1.00 . A A . 2 AIB C 1 1 8 1247 1 1 2 ABA CA C 9.185 -6.317 1.836 1.00 . A A . 2 AIB CA 1 1 8 1248 1 1 2 ABA H H 8.635 -7.997 0.668 1.00 . A A . 2 AIB H 1 1 8 1249 1 1 2 ABA N N 9.277 -7.692 1.341 1.00 . A A . 2 AIB N 1 1 8 1250 1 1 2 ABA O O 7.761 -6.243 3.774 1.00 . A A . 2 AIB O 1 1 8 1251 1 1 3 GLU C C 8.932 -5.362 6.097 1.00 . A A . 3 GLU C 1 1 8 1252 1 1 3 GLU CA C 9.841 -6.483 5.597 1.00 . A A . 3 GLU CA 1 1 8 1253 1 1 3 GLU CB C 11.218 -6.369 6.255 1.00 . A A . 3 GLU CB 1 1 8 1254 1 1 3 GLU CD C 11.786 -4.089 7.182 1.00 . A A . 3 GLU CD 1 1 8 1255 1 1 3 GLU CG C 11.905 -5.036 6.004 1.00 . A A . 3 GLU CG 1 1 8 1256 1 1 3 GLU H H 10.864 -6.523 3.744 1.00 . A A . 3 GLU H 1 1 8 1257 1 1 3 GLU HA H 9.402 -7.432 5.868 1.00 . A A . 3 GLU HA 1 1 8 1258 1 1 3 GLU HB2 H 11.106 -6.497 7.321 1.00 . A A . 3 GLU HB2 1 1 8 1259 1 1 3 GLU HB3 H 11.853 -7.154 5.872 1.00 . A A . 3 GLU HB3 1 1 8 1260 1 1 3 GLU HG2 H 12.952 -5.216 5.810 1.00 . A A . 3 GLU HG2 1 1 8 1261 1 1 3 GLU HG3 H 11.454 -4.571 5.139 1.00 . A A . 3 GLU HG3 1 1 8 1262 1 1 3 GLU N N 9.972 -6.452 4.142 1.00 . A A . 3 GLU N 1 1 8 1263 1 1 3 GLU O O 8.289 -5.490 7.139 1.00 . A A . 3 GLU O 1 1 8 1264 1 1 3 GLU OE1 O 10.879 -4.290 8.017 1.00 . A A . 3 GLU OE1 1 1 8 1265 1 1 3 GLU OE2 O 12.601 -3.147 7.270 1.00 . A A . 3 GLU OE2 1 1 8 1266 1 1 4 GLY C C 6.598 -3.532 5.935 1.00 . A A . 4 GLY C 1 1 8 1267 1 1 4 GLY CA C 8.050 -3.140 5.733 1.00 . A A . 4 GLY CA 1 1 8 1268 1 1 4 GLY H H 9.417 -4.217 4.528 1.00 . A A . 4 GLY H 1 1 8 1269 1 1 4 GLY HA2 H 8.429 -2.724 6.655 1.00 . A A . 4 GLY HA2 1 1 8 1270 1 1 4 GLY HA3 H 8.103 -2.385 4.962 1.00 . A A . 4 GLY HA3 1 1 8 1271 1 1 4 GLY N N 8.883 -4.264 5.348 1.00 . A A . 4 GLY N 1 1 8 1272 1 1 4 GLY O O 5.881 -2.903 6.713 1.00 . A A . 4 GLY O 1 1 8 1273 1 1 5 LYS C C 4.435 -5.366 6.790 1.00 . A A . 5 LYS C 1 1 8 1274 1 1 5 LYS CA C 4.789 -5.053 5.340 1.00 . A A . 5 LYS CA 1 1 8 1275 1 1 5 LYS CB C 4.590 -6.300 4.467 1.00 . A A . 5 LYS CB 1 1 8 1276 1 1 5 LYS CD C 3.913 -8.237 5.923 1.00 . A A . 5 LYS CD 1 1 8 1277 1 1 5 LYS CE C 2.799 -8.652 6.872 1.00 . A A . 5 LYS CE 1 1 8 1278 1 1 5 LYS CG C 3.442 -7.197 4.917 1.00 . A A . 5 LYS CG 1 1 8 1279 1 1 5 LYS H H 6.785 -5.037 4.630 1.00 . A A . 5 LYS H 1 1 8 1280 1 1 5 LYS HA H 4.139 -4.269 4.984 1.00 . A A . 5 LYS HA 1 1 8 1281 1 1 5 LYS HB2 H 4.395 -5.986 3.453 1.00 . A A . 5 LYS HB2 1 1 8 1282 1 1 5 LYS HB3 H 5.500 -6.883 4.483 1.00 . A A . 5 LYS HB3 1 1 8 1283 1 1 5 LYS HD2 H 4.256 -9.109 5.387 1.00 . A A . 5 LYS HD2 1 1 8 1284 1 1 5 LYS HD3 H 4.728 -7.825 6.497 1.00 . A A . 5 LYS HD3 1 1 8 1285 1 1 5 LYS HE2 H 1.993 -9.077 6.294 1.00 . A A . 5 LYS HE2 1 1 8 1286 1 1 5 LYS HE3 H 3.184 -9.400 7.550 1.00 . A A . 5 LYS HE3 1 1 8 1287 1 1 5 LYS HG2 H 2.679 -6.586 5.375 1.00 . A A . 5 LYS HG2 1 1 8 1288 1 1 5 LYS HG3 H 3.033 -7.702 4.054 1.00 . A A . 5 LYS HG3 1 1 8 1289 1 1 5 LYS HZ1 H 2.919 -6.867 7.993 1.00 . A A . 5 LYS HZ1 1 1 8 1290 1 1 5 LYS N N 6.165 -4.576 5.233 1.00 . A A . 5 LYS N 1 1 8 1291 1 1 5 LYS NZ N 2.277 -7.530 7.653 1.00 . A A . 5 LYS NZ 1 1 8 1292 1 1 5 LYS O O 3.312 -5.122 7.232 1.00 . A A . 5 LYS O 1 1 8 1293 1 1 6 PHE C C 4.511 -5.140 9.684 1.00 . A A . 6 PHE C 1 1 8 1294 1 1 6 PHE CA C 5.192 -6.273 8.923 1.00 . A A . 6 PHE CA 1 1 8 1295 1 1 6 PHE CB C 6.529 -6.612 9.584 1.00 . A A . 6 PHE CB 1 1 8 1296 1 1 6 PHE CD1 C 5.605 -7.568 11.711 1.00 . A A . 6 PHE CD1 1 1 8 1297 1 1 6 PHE CD2 C 7.169 -8.872 10.470 1.00 . A A . 6 PHE CD2 1 1 8 1298 1 1 6 PHE CE1 C 5.514 -8.572 12.657 1.00 . A A . 6 PHE CE1 1 1 8 1299 1 1 6 PHE CE2 C 7.082 -9.879 11.412 1.00 . A A . 6 PHE CE2 1 1 8 1300 1 1 6 PHE CG C 6.433 -7.706 10.609 1.00 . A A . 6 PHE CG 1 1 8 1301 1 1 6 PHE CZ C 6.253 -9.729 12.507 1.00 . A A . 6 PHE CZ 1 1 8 1302 1 1 6 PHE H H 6.271 -6.090 7.110 1.00 . A A . 6 PHE H 1 1 8 1303 1 1 6 PHE HA H 4.557 -7.144 8.953 1.00 . A A . 6 PHE HA 1 1 8 1304 1 1 6 PHE HB2 H 7.228 -6.930 8.825 1.00 . A A . 6 PHE HB2 1 1 8 1305 1 1 6 PHE HB3 H 6.915 -5.730 10.074 1.00 . A A . 6 PHE HB3 1 1 8 1306 1 1 6 PHE HD1 H 5.027 -6.664 11.829 1.00 . A A . 6 PHE HD1 1 1 8 1307 1 1 6 PHE HD2 H 7.818 -8.990 9.614 1.00 . A A . 6 PHE HD2 1 1 8 1308 1 1 6 PHE HE1 H 4.865 -8.451 13.512 1.00 . A A . 6 PHE HE1 1 1 8 1309 1 1 6 PHE HE2 H 7.661 -10.783 11.293 1.00 . A A . 6 PHE HE2 1 1 8 1310 1 1 6 PHE HZ H 6.184 -10.514 13.245 1.00 . A A . 6 PHE HZ 1 1 8 1311 1 1 6 PHE N N 5.399 -5.915 7.523 1.00 . A A . 6 PHE N 1 1 8 1312 1 1 6 PHE O O 3.477 -5.338 10.325 1.00 . A A . 6 PHE O 1 1 8 1313 1 1 7 THR C C 3.461 -2.120 9.470 1.00 . A A . 7 THR C 1 1 8 1314 1 1 7 THR CA C 4.551 -2.794 10.295 1.00 . A A . 7 THR CA 1 1 8 1315 1 1 7 THR CB C 5.651 -1.764 10.627 1.00 . A A . 7 THR CB 1 1 8 1316 1 1 7 THR CG2 C 5.703 -1.485 12.122 1.00 . A A . 7 THR CG2 1 1 8 1317 1 1 7 THR H H 5.920 -3.857 9.084 1.00 . A A . 7 THR H 1 1 8 1318 1 1 7 THR HA H 4.118 -3.142 11.220 1.00 . A A . 7 THR HA 1 1 8 1319 1 1 7 THR HB H 5.429 -0.840 10.112 1.00 . A A . 7 THR HB 1 1 8 1320 1 1 7 THR HG1 H 7.108 -1.912 9.305 1.00 . A A . 7 THR HG1 1 1 8 1321 1 1 7 THR HG21 H 5.955 -2.393 12.649 1.00 . A A . 7 THR HG21 1 1 8 1322 1 1 7 THR HG22 H 4.739 -1.132 12.456 1.00 . A A . 7 THR HG22 1 1 8 1323 1 1 7 THR HG23 H 6.451 -0.733 12.322 1.00 . A A . 7 THR HG23 1 1 8 1324 1 1 7 THR N N 5.099 -3.954 9.609 1.00 . A A . 7 THR N 1 1 8 1325 1 1 7 THR O O 2.517 -1.554 10.020 1.00 . A A . 7 THR O 1 1 8 1326 1 1 7 THR OG1 O 6.926 -2.247 10.186 1.00 . A A . 7 THR OG1 1 1 8 1327 1 1 8 SER C C 1.192 -1.986 7.665 1.00 . A A . 8 SER C 1 1 8 1328 1 1 8 SER CA C 2.605 -1.582 7.255 1.00 . A A . 8 SER CA 1 1 8 1329 1 1 8 SER CB C 2.867 -2.003 5.808 1.00 . A A . 8 SER CB 1 1 8 1330 1 1 8 SER H H 4.362 -2.654 7.764 1.00 . A A . 8 SER H 1 1 8 1331 1 1 8 SER HA H 2.699 -0.510 7.333 1.00 . A A . 8 SER HA 1 1 8 1332 1 1 8 SER HB2 H 2.747 -3.072 5.719 1.00 . A A . 8 SER HB2 1 1 8 1333 1 1 8 SER HB3 H 2.162 -1.507 5.158 1.00 . A A . 8 SER HB3 1 1 8 1334 1 1 8 SER HG H 4.307 -1.897 4.484 1.00 . A A . 8 SER HG 1 1 8 1335 1 1 8 SER N N 3.590 -2.186 8.147 1.00 . A A . 8 SER N 1 1 8 1336 1 1 8 SER O O 0.274 -1.164 7.672 1.00 . A A . 8 SER O 1 1 8 1337 1 1 8 SER OG O 4.181 -1.657 5.405 1.00 . A A . 8 SER OG 1 1 8 1338 1 1 9 GLU C C -0.439 -3.620 9.943 1.00 . A A . 9 GLU C 1 1 8 1339 1 1 9 GLU CA C -0.258 -3.782 8.439 1.00 . A A . 9 GLU CA 1 1 8 1340 1 1 9 GLU CB C -0.384 -5.256 8.054 1.00 . A A . 9 GLU CB 1 1 8 1341 1 1 9 GLU CD C 0.987 -7.368 7.926 1.00 . A A . 9 GLU CD 1 1 8 1342 1 1 9 GLU CG C 0.626 -6.151 8.750 1.00 . A A . 9 GLU CG 1 1 8 1343 1 1 9 GLU H H 1.808 -3.858 7.995 1.00 . A A . 9 GLU H 1 1 8 1344 1 1 9 GLU HA H -1.025 -3.219 7.934 1.00 . A A . 9 GLU HA 1 1 8 1345 1 1 9 GLU HB2 H -1.375 -5.599 8.311 1.00 . A A . 9 GLU HB2 1 1 8 1346 1 1 9 GLU HB3 H -0.244 -5.351 6.988 1.00 . A A . 9 GLU HB3 1 1 8 1347 1 1 9 GLU HG2 H 1.525 -5.583 8.936 1.00 . A A . 9 GLU HG2 1 1 8 1348 1 1 9 GLU HG3 H 0.208 -6.481 9.690 1.00 . A A . 9 GLU HG3 1 1 8 1349 1 1 9 GLU N N 1.034 -3.258 8.016 1.00 . A A . 9 GLU N 1 1 8 1350 1 1 9 GLU O O -1.521 -3.273 10.414 1.00 . A A . 9 GLU O 1 1 8 1351 1 1 9 GLU OE1 O 0.281 -8.377 7.944 1.00 . A A . 9 GLU OE1 1 1 8 1352 1 1 10 PHE C C 0.106 -2.357 12.551 1.00 . A A . 10 PHE C 1 1 8 1353 1 1 10 PHE CA C 0.590 -3.745 12.146 1.00 . A A . 10 PHE CA 1 1 8 1354 1 1 10 PHE CB C 1.975 -4.010 12.741 1.00 . A A . 10 PHE CB 1 1 8 1355 1 1 10 PHE CD1 C 1.203 -5.362 14.708 1.00 . A A . 10 PHE CD1 1 1 8 1356 1 1 10 PHE CD2 C 2.675 -3.528 15.102 1.00 . A A . 10 PHE CD2 1 1 8 1357 1 1 10 PHE CE1 C 1.178 -5.637 16.062 1.00 . A A . 10 PHE CE1 1 1 8 1358 1 1 10 PHE CE2 C 2.654 -3.798 16.457 1.00 . A A . 10 PHE CE2 1 1 8 1359 1 1 10 PHE CG C 1.950 -4.306 14.213 1.00 . A A . 10 PHE CG 1 1 8 1360 1 1 10 PHE CZ C 1.905 -4.854 16.938 1.00 . A A . 10 PHE CZ 1 1 8 1361 1 1 10 PHE H H 1.469 -4.139 10.258 1.00 . A A . 10 PHE H 1 1 8 1362 1 1 10 PHE HA H -0.103 -4.481 12.524 1.00 . A A . 10 PHE HA 1 1 8 1363 1 1 10 PHE HB2 H 2.418 -4.856 12.240 1.00 . A A . 10 PHE HB2 1 1 8 1364 1 1 10 PHE HB3 H 2.597 -3.140 12.587 1.00 . A A . 10 PHE HB3 1 1 8 1365 1 1 10 PHE HD1 H 0.634 -5.975 14.025 1.00 . A A . 10 PHE HD1 1 1 8 1366 1 1 10 PHE HD2 H 3.261 -2.702 14.727 1.00 . A A . 10 PHE HD2 1 1 8 1367 1 1 10 PHE HE1 H 0.592 -6.464 16.436 1.00 . A A . 10 PHE HE1 1 1 8 1368 1 1 10 PHE HE2 H 3.224 -3.184 17.139 1.00 . A A . 10 PHE HE2 1 1 8 1369 1 1 10 PHE HZ H 1.887 -5.067 17.997 1.00 . A A . 10 PHE HZ 1 1 8 1370 1 1 10 PHE N N 0.631 -3.869 10.693 1.00 . A A . 10 PHE N 1 1 8 1371 1 1 10 PHE O O -0.779 -2.216 13.395 1.00 . A A . 10 PHE O 1 1 8 1372 1 1 11 . C C -0.331 0.690 11.002 1.00 . A A . 11 PH8 C 1 1 8 1373 1 1 11 . CA C 0.323 0.045 12.220 1.00 . A A . 11 PH8 CA 1 1 8 1374 1 1 11 . CB C 1.555 0.850 12.639 1.00 . A A . 11 PH8 CB 1 1 8 1375 1 1 11 . CD1 C -0.231 0.485 16.090 1.00 . A A . 11 PH8 CD1 1 1 8 1376 1 1 11 . CD2 C 1.635 1.934 15.767 1.00 . A A . 11 PH8 CD2 1 1 8 1377 1 1 11 . CE1 C -0.889 1.482 16.784 1.00 . A A . 11 PH8 CE1 1 1 8 1378 1 1 11 . CE2 C 0.982 2.935 16.460 1.00 . A A . 11 PH8 CE2 1 1 8 1379 1 1 11 . CG C 1.037 0.699 15.574 1.00 . A A . 11 PH8 CG 1 1 8 1380 1 1 11 . CI C 2.483 0.099 13.581 1.00 . A A . 11 PH8 CI 1 1 8 1381 1 1 11 . CJ C 1.749 -0.389 14.820 1.00 . A A . 11 PH8 CJ 1 1 8 1382 1 1 11 . CZ C -0.282 2.709 16.970 1.00 . A A . 11 PH8 CZ 1 1 8 1383 1 1 11 . HA H -0.386 0.039 13.035 1.00 . A A . 11 PH8 HA 1 1 8 1384 1 1 11 . HB H 2.115 1.115 11.754 1.00 . A A . 11 PH8 HB 1 1 8 1385 1 1 11 . HBA H 1.230 1.753 13.132 1.00 . A A . 11 PH8 HBA 1 1 8 1386 1 1 11 . HD1 H -0.706 -0.474 15.946 1.00 . A A . 11 PH8 HD1 1 1 8 1387 1 1 11 . HD2 H 2.623 2.112 15.368 1.00 . A A . 11 PH8 HD2 1 1 8 1388 1 1 11 . HE1 H -1.877 1.302 17.181 1.00 . A A . 11 PH8 HE1 1 1 8 1389 1 1 11 . HE2 H 1.459 3.894 16.603 1.00 . A A . 11 PH8 HE2 1 1 8 1390 1 1 11 . HI H 2.895 -0.753 13.061 1.00 . A A . 11 PH8 HI 1 1 8 1391 1 1 11 . HIA H 3.282 0.759 13.885 1.00 . A A . 11 PH8 HIA 1 1 8 1392 1 1 11 . HJ H 2.463 -0.847 15.488 1.00 . A A . 11 PH8 HJ 1 1 8 1393 1 1 11 . HJA H 1.016 -1.124 14.521 1.00 . A A . 11 PH8 HJA 1 1 8 1394 1 1 11 . HN H 1.389 -1.517 11.272 1.00 . A A . 11 PH8 HN 1 1 8 1395 1 1 11 . HZ H -0.795 3.489 17.512 1.00 . A A . 11 PH8 HZ 1 1 8 1396 1 1 11 . N N 0.692 -1.336 11.936 1.00 . A A . 11 PH8 N 1 1 8 1397 1 1 11 . O O -1.187 1.565 11.134 1.00 . A A . 11 PH8 O 1 1 8 1398 1 1 12 NH2 HN1 H 0.756 -0.446 9.784 1.00 . A A . 12 NH2 HN1 1 1 8 1399 1 1 12 NH2 HN2 H -0.339 0.642 9.011 1.00 . A A . 12 NH2 HN2 1 1 8 1400 1 1 12 NH2 N N 0.070 0.251 9.812 1.00 . A A . 12 NH2 N 1 1 9 1401 1 1 1 HIS C C 8.914 -9.157 2.883 1.00 . A A . 1 HIS C 1 1 9 1402 1 1 1 HIS CA C 9.840 -10.303 2.487 1.00 . A A . 1 HIS CA 1 1 9 1403 1 1 1 HIS CB C 9.696 -10.599 0.993 1.00 . A A . 1 HIS CB 1 1 9 1404 1 1 1 HIS CD2 C 11.616 -12.334 0.821 1.00 . A A . 1 HIS CD2 1 1 9 1405 1 1 1 HIS CE1 C 10.595 -13.817 -0.431 1.00 . A A . 1 HIS CE1 1 1 9 1406 1 1 1 HIS CG C 10.372 -11.865 0.566 1.00 . A A . 1 HIS CG 1 1 9 1407 1 1 1 HIS H1 H 10.315 -12.211 3.184 1.00 . A A . 1 HIS H1 1 1 9 1408 1 1 1 HIS H2 H 8.670 -11.990 2.860 1.00 . A A . 1 HIS H2 1 1 9 1409 1 1 1 HIS H3 H 9.357 -11.311 4.249 1.00 . A A . 1 HIS H3 1 1 9 1410 1 1 1 HIS HA H 10.860 -10.020 2.697 1.00 . A A . 1 HIS HA 1 1 9 1411 1 1 1 HIS HB2 H 8.648 -10.685 0.749 1.00 . A A . 1 HIS HB2 1 1 9 1412 1 1 1 HIS HB3 H 10.127 -9.785 0.428 1.00 . A A . 1 HIS HB3 1 1 9 1413 1 1 1 HIS HD1 H 8.845 -12.767 -0.572 1.00 . A A . 1 HIS HD1 1 1 9 1414 1 1 1 HIS HD2 H 12.376 -11.846 1.414 1.00 . A A . 1 HIS HD2 1 1 9 1415 1 1 1 HIS HE1 H 10.387 -14.704 -1.011 1.00 . A A . 1 HIS HE1 1 1 9 1416 1 1 1 HIS HE2 H 12.491 -14.160 0.266 1.00 . A A . 1 HIS HE2 1 1 9 1417 1 1 1 HIS N N 9.524 -11.540 3.248 1.00 . A A . 1 HIS N 1 1 9 1418 1 1 1 HIS ND1 N 9.758 -12.816 -0.221 1.00 . A A . 1 HIS ND1 1 1 9 1419 1 1 1 HIS NE2 N 11.729 -13.548 0.190 1.00 . A A . 1 HIS NE2 1 1 9 1420 1 1 1 HIS O O 8.089 -9.295 3.785 1.00 . A A . 1 HIS O 1 1 9 1421 1 1 2 ABA C C 8.473 -6.374 3.907 1.00 . A A . 2 AIB C 1 1 9 1422 1 1 2 ABA CA C 8.229 -6.849 2.471 1.00 . A A . 2 AIB CA 1 1 9 1423 1 1 2 ABA H H 9.730 -7.981 1.487 1.00 . A A . 2 AIB H 1 1 9 1424 1 1 2 ABA N N 9.056 -8.027 2.197 1.00 . A A . 2 AIB N 1 1 9 1425 1 1 2 ABA O O 7.557 -6.353 4.730 1.00 . A A . 2 AIB O 1 1 9 1426 1 1 3 GLU C C 9.260 -4.274 5.898 1.00 . A A . 3 GLU C 1 1 9 1427 1 1 3 GLU CA C 10.069 -5.515 5.530 1.00 . A A . 3 GLU CA 1 1 9 1428 1 1 3 GLU CB C 11.566 -5.203 5.600 1.00 . A A . 3 GLU CB 1 1 9 1429 1 1 3 GLU CD C 12.399 -6.918 7.255 1.00 . A A . 3 GLU CD 1 1 9 1430 1 1 3 GLU CG C 12.431 -6.433 5.819 1.00 . A A . 3 GLU CG 1 1 9 1431 1 1 3 GLU H H 10.401 -6.027 3.502 1.00 . A A . 3 GLU H 1 1 9 1432 1 1 3 GLU HA H 9.841 -6.301 6.235 1.00 . A A . 3 GLU HA 1 1 9 1433 1 1 3 GLU HB2 H 11.869 -4.736 4.675 1.00 . A A . 3 GLU HB2 1 1 9 1434 1 1 3 GLU HB3 H 11.741 -4.516 6.414 1.00 . A A . 3 GLU HB3 1 1 9 1435 1 1 3 GLU HG2 H 12.076 -7.226 5.179 1.00 . A A . 3 GLU HG2 1 1 9 1436 1 1 3 GLU HG3 H 13.452 -6.190 5.559 1.00 . A A . 3 GLU HG3 1 1 9 1437 1 1 3 GLU N N 9.712 -5.991 4.198 1.00 . A A . 3 GLU N 1 1 9 1438 1 1 3 GLU O O 8.989 -4.024 7.072 1.00 . A A . 3 GLU O 1 1 9 1439 1 1 3 GLU OE1 O 12.137 -6.093 8.155 1.00 . A A . 3 GLU OE1 1 1 9 1440 1 1 3 GLU OE2 O 12.636 -8.124 7.479 1.00 . A A . 3 GLU OE2 1 1 9 1441 1 1 4 GLY C C 6.618 -2.576 5.258 1.00 . A A . 4 GLY C 1 1 9 1442 1 1 4 GLY CA C 8.103 -2.296 5.124 1.00 . A A . 4 GLY CA 1 1 9 1443 1 1 4 GLY H H 9.122 -3.750 3.971 1.00 . A A . 4 GLY H 1 1 9 1444 1 1 4 GLY HA2 H 8.453 -1.829 6.033 1.00 . A A . 4 GLY HA2 1 1 9 1445 1 1 4 GLY HA3 H 8.256 -1.615 4.300 1.00 . A A . 4 GLY HA3 1 1 9 1446 1 1 4 GLY N N 8.877 -3.501 4.886 1.00 . A A . 4 GLY N 1 1 9 1447 1 1 4 GLY O O 5.912 -1.878 5.986 1.00 . A A . 4 GLY O 1 1 9 1448 1 1 5 LYS C C 4.369 -4.599 5.932 1.00 . A A . 5 LYS C 1 1 9 1449 1 1 5 LYS CA C 4.732 -3.965 4.594 1.00 . A A . 5 LYS CA 1 1 9 1450 1 1 5 LYS CB C 4.398 -4.932 3.456 1.00 . A A . 5 LYS CB 1 1 9 1451 1 1 5 LYS CD C 2.762 -6.826 3.747 1.00 . A A . 5 LYS CD 1 1 9 1452 1 1 5 LYS CE C 2.645 -7.066 5.246 1.00 . A A . 5 LYS CE 1 1 9 1453 1 1 5 LYS CG C 2.935 -5.349 3.423 1.00 . A A . 5 LYS CG 1 1 9 1454 1 1 5 LYS H H 6.755 -4.115 3.988 1.00 . A A . 5 LYS H 1 1 9 1455 1 1 5 LYS HA H 4.152 -3.064 4.467 1.00 . A A . 5 LYS HA 1 1 9 1456 1 1 5 LYS HB2 H 4.637 -4.458 2.515 1.00 . A A . 5 LYS HB2 1 1 9 1457 1 1 5 LYS HB3 H 5.003 -5.820 3.565 1.00 . A A . 5 LYS HB3 1 1 9 1458 1 1 5 LYS HD2 H 1.866 -7.187 3.265 1.00 . A A . 5 LYS HD2 1 1 9 1459 1 1 5 LYS HD3 H 3.617 -7.368 3.371 1.00 . A A . 5 LYS HD3 1 1 9 1460 1 1 5 LYS HE2 H 2.305 -8.078 5.409 1.00 . A A . 5 LYS HE2 1 1 9 1461 1 1 5 LYS HE3 H 3.617 -6.940 5.693 1.00 . A A . 5 LYS HE3 1 1 9 1462 1 1 5 LYS HG2 H 2.389 -4.765 4.148 1.00 . A A . 5 LYS HG2 1 1 9 1463 1 1 5 LYS HG3 H 2.540 -5.158 2.435 1.00 . A A . 5 LYS HG3 1 1 9 1464 1 1 5 LYS HZ1 H 2.037 -5.573 6.608 1.00 . A A . 5 LYS HZ1 1 1 9 1465 1 1 5 LYS N N 6.143 -3.597 4.552 1.00 . A A . 5 LYS N 1 1 9 1466 1 1 5 LYS NZ N 1.703 -6.143 5.879 1.00 . A A . 5 LYS NZ 1 1 9 1467 1 1 5 LYS O O 3.337 -4.278 6.520 1.00 . A A . 5 LYS O 1 1 9 1468 1 1 6 PHE C C 4.520 -5.244 8.758 1.00 . A A . 6 PHE C 1 1 9 1469 1 1 6 PHE CA C 4.988 -6.203 7.669 1.00 . A A . 6 PHE CA 1 1 9 1470 1 1 6 PHE CB C 6.259 -6.925 8.121 1.00 . A A . 6 PHE CB 1 1 9 1471 1 1 6 PHE CD1 C 4.951 -8.740 9.262 1.00 . A A . 6 PHE CD1 1 1 9 1472 1 1 6 PHE CD2 C 6.901 -9.350 8.033 1.00 . A A . 6 PHE CD2 1 1 9 1473 1 1 6 PHE CE1 C 4.741 -10.065 9.593 1.00 . A A . 6 PHE CE1 1 1 9 1474 1 1 6 PHE CE2 C 6.697 -10.677 8.361 1.00 . A A . 6 PHE CE2 1 1 9 1475 1 1 6 PHE CG C 6.033 -8.367 8.479 1.00 . A A . 6 PHE CG 1 1 9 1476 1 1 6 PHE CZ C 5.615 -11.035 9.142 1.00 . A A . 6 PHE CZ 1 1 9 1477 1 1 6 PHE H H 6.021 -5.725 5.882 1.00 . A A . 6 PHE H 1 1 9 1478 1 1 6 PHE HA H 4.213 -6.937 7.504 1.00 . A A . 6 PHE HA 1 1 9 1479 1 1 6 PHE HB2 H 6.987 -6.891 7.324 1.00 . A A . 6 PHE HB2 1 1 9 1480 1 1 6 PHE HB3 H 6.661 -6.425 8.990 1.00 . A A . 6 PHE HB3 1 1 9 1481 1 1 6 PHE HD1 H 4.267 -7.982 9.615 1.00 . A A . 6 PHE HD1 1 1 9 1482 1 1 6 PHE HD2 H 7.747 -9.071 7.422 1.00 . A A . 6 PHE HD2 1 1 9 1483 1 1 6 PHE HE1 H 3.895 -10.343 10.204 1.00 . A A . 6 PHE HE1 1 1 9 1484 1 1 6 PHE HE2 H 7.381 -11.433 8.006 1.00 . A A . 6 PHE HE2 1 1 9 1485 1 1 6 PHE HZ H 5.453 -12.071 9.399 1.00 . A A . 6 PHE HZ 1 1 9 1486 1 1 6 PHE N N 5.220 -5.509 6.403 1.00 . A A . 6 PHE N 1 1 9 1487 1 1 6 PHE O O 3.691 -5.601 9.596 1.00 . A A . 6 PHE O 1 1 9 1488 1 1 7 THR C C 3.492 -2.201 9.279 1.00 . A A . 7 THR C 1 1 9 1489 1 1 7 THR CA C 4.680 -3.033 9.742 1.00 . A A . 7 THR CA 1 1 9 1490 1 1 7 THR CB C 5.855 -2.098 10.081 1.00 . A A . 7 THR CB 1 1 9 1491 1 1 7 THR CG2 C 5.779 -1.636 11.529 1.00 . A A . 7 THR CG2 1 1 9 1492 1 1 7 THR H H 5.710 -3.796 8.057 1.00 . A A . 7 THR H 1 1 9 1493 1 1 7 THR HA H 4.397 -3.564 10.636 1.00 . A A . 7 THR HA 1 1 9 1494 1 1 7 THR HB H 5.802 -1.230 9.440 1.00 . A A . 7 THR HB 1 1 9 1495 1 1 7 THR HG1 H 7.101 -3.607 10.329 1.00 . A A . 7 THR HG1 1 1 9 1496 1 1 7 THR HG21 H 6.774 -1.602 11.948 1.00 . A A . 7 THR HG21 1 1 9 1497 1 1 7 THR HG22 H 5.173 -2.327 12.095 1.00 . A A . 7 THR HG22 1 1 9 1498 1 1 7 THR HG23 H 5.337 -0.652 11.570 1.00 . A A . 7 THR HG23 1 1 9 1499 1 1 7 THR N N 5.053 -4.027 8.746 1.00 . A A . 7 THR N 1 1 9 1500 1 1 7 THR O O 2.639 -1.824 10.083 1.00 . A A . 7 THR O 1 1 9 1501 1 1 7 THR OG1 O 7.099 -2.772 9.856 1.00 . A A . 7 THR OG1 1 1 9 1502 1 1 8 SER C C 0.992 -1.749 7.842 1.00 . A A . 8 SER C 1 1 9 1503 1 1 8 SER CA C 2.330 -1.146 7.424 1.00 . A A . 8 SER CA 1 1 9 1504 1 1 8 SER CB C 2.428 -1.099 5.896 1.00 . A A . 8 SER CB 1 1 9 1505 1 1 8 SER H H 4.134 -2.258 7.385 1.00 . A A . 8 SER H 1 1 9 1506 1 1 8 SER HA H 2.400 -0.142 7.814 1.00 . A A . 8 SER HA 1 1 9 1507 1 1 8 SER HB2 H 3.134 -1.842 5.561 1.00 . A A . 8 SER HB2 1 1 9 1508 1 1 8 SER HB3 H 1.459 -1.305 5.467 1.00 . A A . 8 SER HB3 1 1 9 1509 1 1 8 SER HG H 3.601 0.468 5.989 1.00 . A A . 8 SER HG 1 1 9 1510 1 1 8 SER N N 3.431 -1.925 7.981 1.00 . A A . 8 SER N 1 1 9 1511 1 1 8 SER O O -0.013 -1.046 7.957 1.00 . A A . 8 SER O 1 1 9 1512 1 1 8 SER OG O 2.863 0.174 5.450 1.00 . A A . 8 SER OG 1 1 9 1513 1 1 9 GLU C C -0.250 -3.957 9.989 1.00 . A A . 9 GLU C 1 1 9 1514 1 1 9 GLU CA C -0.205 -3.777 8.477 1.00 . A A . 9 GLU CA 1 1 9 1515 1 1 9 GLU CB C -0.261 -5.137 7.779 1.00 . A A . 9 GLU CB 1 1 9 1516 1 1 9 GLU CD C 0.431 -6.039 5.516 1.00 . A A . 9 GLU CD 1 1 9 1517 1 1 9 GLU CG C -0.410 -5.030 6.271 1.00 . A A . 9 GLU CG 1 1 9 1518 1 1 9 GLU H H 1.831 -3.560 7.962 1.00 . A A . 9 GLU H 1 1 9 1519 1 1 9 GLU HA H -1.056 -3.193 8.173 1.00 . A A . 9 GLU HA 1 1 9 1520 1 1 9 GLU HB2 H 0.649 -5.678 7.994 1.00 . A A . 9 GLU HB2 1 1 9 1521 1 1 9 GLU HB3 H -1.102 -5.694 8.165 1.00 . A A . 9 GLU HB3 1 1 9 1522 1 1 9 GLU HG2 H -1.443 -5.191 6.016 1.00 . A A . 9 GLU HG2 1 1 9 1523 1 1 9 GLU HG3 H -0.116 -4.038 5.963 1.00 . A A . 9 GLU HG3 1 1 9 1524 1 1 9 GLU N N 0.996 -3.060 8.070 1.00 . A A . 9 GLU N 1 1 9 1525 1 1 9 GLU O O -1.233 -3.601 10.639 1.00 . A A . 9 GLU O 1 1 9 1526 1 1 9 GLU OE1 O -0.092 -6.997 4.945 1.00 . A A . 9 GLU OE1 1 1 9 1527 1 1 10 PHE C C 0.708 -3.418 12.741 1.00 . A A . 10 PHE C 1 1 9 1528 1 1 10 PHE CA C 0.912 -4.730 11.985 1.00 . A A . 10 PHE CA 1 1 9 1529 1 1 10 PHE CB C 2.270 -5.355 12.341 1.00 . A A . 10 PHE CB 1 1 9 1530 1 1 10 PHE CD1 C 2.078 -5.400 14.848 1.00 . A A . 10 PHE CD1 1 1 9 1531 1 1 10 PHE CD2 C 3.945 -4.279 13.875 1.00 . A A . 10 PHE CD2 1 1 9 1532 1 1 10 PHE CE1 C 2.540 -5.079 16.110 1.00 . A A . 10 PHE CE1 1 1 9 1533 1 1 10 PHE CE2 C 4.412 -3.955 15.135 1.00 . A A . 10 PHE CE2 1 1 9 1534 1 1 10 PHE CG C 2.774 -5.005 13.717 1.00 . A A . 10 PHE CG 1 1 9 1535 1 1 10 PHE CZ C 3.708 -4.355 16.254 1.00 . A A . 10 PHE CZ 1 1 9 1536 1 1 10 PHE H H 1.574 -4.764 9.972 1.00 . A A . 10 PHE H 1 1 9 1537 1 1 10 PHE HA H 0.125 -5.416 12.262 1.00 . A A . 10 PHE HA 1 1 9 1538 1 1 10 PHE HB2 H 2.184 -6.430 12.289 1.00 . A A . 10 PHE HB2 1 1 9 1539 1 1 10 PHE HB3 H 3.006 -5.026 11.624 1.00 . A A . 10 PHE HB3 1 1 9 1540 1 1 10 PHE HD1 H 1.165 -5.966 14.737 1.00 . A A . 10 PHE HD1 1 1 9 1541 1 1 10 PHE HD2 H 4.496 -3.965 13.000 1.00 . A A . 10 PHE HD2 1 1 9 1542 1 1 10 PHE HE1 H 1.989 -5.393 16.984 1.00 . A A . 10 PHE HE1 1 1 9 1543 1 1 10 PHE HE2 H 5.325 -3.389 15.244 1.00 . A A . 10 PHE HE2 1 1 9 1544 1 1 10 PHE HZ H 4.071 -4.103 17.239 1.00 . A A . 10 PHE HZ 1 1 9 1545 1 1 10 PHE N N 0.823 -4.507 10.545 1.00 . A A . 10 PHE N 1 1 9 1546 1 1 10 PHE O O 0.166 -3.403 13.847 1.00 . A A . 10 PHE O 1 1 9 1547 1 1 11 . C C 0.806 0.062 11.662 1.00 . A A . 11 PH8 C 1 1 9 1548 1 1 11 . CA C 1.008 -1.003 12.736 1.00 . A A . 11 PH8 CA 1 1 9 1549 1 1 11 . CB C 2.245 -0.676 13.577 1.00 . A A . 11 PH8 CB 1 1 9 1550 1 1 11 . CD1 C 1.473 -1.377 18.400 1.00 . A A . 11 PH8 CD1 1 1 9 1551 1 1 11 . CD2 C -0.001 0.141 17.300 1.00 . A A . 11 PH8 CD2 1 1 9 1552 1 1 11 . CE1 C 0.999 -0.952 19.627 1.00 . A A . 11 PH8 CE1 1 1 9 1553 1 1 11 . CE2 C -0.479 0.569 18.523 1.00 . A A . 11 PH8 CE2 1 1 9 1554 1 1 11 . CG C 0.979 -0.836 17.224 1.00 . A A . 11 PH8 CG 1 1 9 1555 1 1 11 . CI C 1.914 -0.167 14.970 1.00 . A A . 11 PH8 CI 1 1 9 1556 1 1 11 . CJ C 1.495 -1.299 15.892 1.00 . A A . 11 PH8 CJ 1 1 9 1557 1 1 11 . CZ C 0.022 0.022 19.688 1.00 . A A . 11 PH8 CZ 1 1 9 1558 1 1 11 . HA H 0.141 -1.020 13.378 1.00 . A A . 11 PH8 HA 1 1 9 1559 1 1 11 . HB H 2.845 -1.569 13.678 1.00 . A A . 11 PH8 HB 1 1 9 1560 1 1 11 . HBA H 2.825 0.081 13.069 1.00 . A A . 11 PH8 HBA 1 1 9 1561 1 1 11 . HD1 H 2.238 -2.138 18.353 1.00 . A A . 11 PH8 HD1 1 1 9 1562 1 1 11 . HD2 H -0.394 0.569 16.389 1.00 . A A . 11 PH8 HD2 1 1 9 1563 1 1 11 . HE1 H 1.392 -1.382 20.536 1.00 . A A . 11 PH8 HE1 1 1 9 1564 1 1 11 . HE2 H -1.244 1.331 18.569 1.00 . A A . 11 PH8 HE2 1 1 9 1565 1 1 11 . HI H 2.787 0.316 15.384 1.00 . A A . 11 PH8 HI 1 1 9 1566 1 1 11 . HIA H 1.105 0.545 14.900 1.00 . A A . 11 PH8 HIA 1 1 9 1567 1 1 11 . HJ H 2.348 -1.938 16.067 1.00 . A A . 11 PH8 HJ 1 1 9 1568 1 1 11 . HJA H 0.714 -1.868 15.409 1.00 . A A . 11 PH8 HJA 1 1 9 1569 1 1 11 . HN H 1.563 -2.401 11.250 1.00 . A A . 11 PH8 HN 1 1 9 1570 1 1 11 . HZ H -0.350 0.355 20.646 1.00 . A A . 11 PH8 HZ 1 1 9 1571 1 1 11 . N N 1.143 -2.322 12.132 1.00 . A A . 11 PH8 N 1 1 9 1572 1 1 11 . O O 1.187 1.219 11.841 1.00 . A A . 11 PH8 O 1 1 9 1573 1 1 12 NH2 HN1 H -0.066 -1.270 10.469 1.00 . A A . 12 NH2 HN1 1 1 9 1574 1 1 12 NH2 HN2 H 0.075 0.327 9.829 1.00 . A A . 12 NH2 HN2 1 1 9 1575 1 1 12 NH2 N N 0.211 -0.333 10.540 1.00 . A A . 12 NH2 N 1 1 10 1576 1 1 1 HIS C C 8.273 -8.652 2.364 1.00 . A A . 1 HIS C 1 1 10 1577 1 1 1 HIS CA C 7.062 -9.016 1.509 1.00 . A A . 1 HIS CA 1 1 10 1578 1 1 1 HIS CB C 7.363 -8.772 0.028 1.00 . A A . 1 HIS CB 1 1 10 1579 1 1 1 HIS CD2 C 6.223 -10.447 -1.593 1.00 . A A . 1 HIS CD2 1 1 10 1580 1 1 1 HIS CE1 C 7.855 -11.902 -1.750 1.00 . A A . 1 HIS CE1 1 1 10 1581 1 1 1 HIS CG C 7.241 -10.001 -0.819 1.00 . A A . 1 HIS CG 1 1 10 1582 1 1 1 HIS H1 H 5.055 -8.485 1.311 1.00 . A A . 1 HIS H1 1 1 10 1583 1 1 1 HIS H2 H 6.064 -7.198 1.739 1.00 . A A . 1 HIS H2 1 1 10 1584 1 1 1 HIS H3 H 5.644 -8.362 2.892 1.00 . A A . 1 HIS H3 1 1 10 1585 1 1 1 HIS HA H 6.829 -10.060 1.657 1.00 . A A . 1 HIS HA 1 1 10 1586 1 1 1 HIS HB2 H 6.673 -8.036 -0.356 1.00 . A A . 1 HIS HB2 1 1 10 1587 1 1 1 HIS HB3 H 8.372 -8.398 -0.073 1.00 . A A . 1 HIS HB3 1 1 10 1588 1 1 1 HIS HD1 H 9.122 -10.896 -0.497 1.00 . A A . 1 HIS HD1 1 1 10 1589 1 1 1 HIS HD2 H 5.267 -9.962 -1.737 1.00 . A A . 1 HIS HD2 1 1 10 1590 1 1 1 HIS HE1 H 8.437 -12.769 -2.029 1.00 . A A . 1 HIS HE1 1 1 10 1591 1 1 1 HIS HE2 H 6.135 -12.137 -2.836 1.00 . A A . 1 HIS HE2 1 1 10 1592 1 1 1 HIS N N 5.874 -8.209 1.889 1.00 . A A . 1 HIS N 1 1 10 1593 1 1 1 HIS ND1 N 8.248 -10.936 -0.939 1.00 . A A . 1 HIS ND1 1 1 10 1594 1 1 1 HIS NE2 N 6.630 -11.630 -2.159 1.00 . A A . 1 HIS NE2 1 1 10 1595 1 1 1 HIS O O 8.638 -9.383 3.285 1.00 . A A . 1 HIS O 1 1 10 1596 1 1 2 ABA C C 9.668 -6.737 4.237 1.00 . A A . 2 AIB C 1 1 10 1597 1 1 2 ABA CA C 10.066 -7.050 2.793 1.00 . A A . 2 AIB CA 1 1 10 1598 1 1 2 ABA H H 8.553 -6.977 1.308 1.00 . A A . 2 AIB H 1 1 10 1599 1 1 2 ABA N N 8.892 -7.516 2.053 1.00 . A A . 2 AIB N 1 1 10 1600 1 1 2 ABA O O 8.527 -6.963 4.640 1.00 . A A . 2 AIB O 1 1 10 1601 1 1 3 GLU C C 9.330 -4.760 6.512 1.00 . A A . 3 GLU C 1 1 10 1602 1 1 3 GLU CA C 10.371 -5.871 6.401 1.00 . A A . 3 GLU CA 1 1 10 1603 1 1 3 GLU CB C 11.671 -5.436 7.079 1.00 . A A . 3 GLU CB 1 1 10 1604 1 1 3 GLU CD C 13.635 -6.560 5.956 1.00 . A A . 3 GLU CD 1 1 10 1605 1 1 3 GLU CG C 12.714 -6.539 7.160 1.00 . A A . 3 GLU CG 1 1 10 1606 1 1 3 GLU H H 11.508 -6.060 4.626 1.00 . A A . 3 GLU H 1 1 10 1607 1 1 3 GLU HA H 9.994 -6.752 6.898 1.00 . A A . 3 GLU HA 1 1 10 1608 1 1 3 GLU HB2 H 12.094 -4.610 6.525 1.00 . A A . 3 GLU HB2 1 1 10 1609 1 1 3 GLU HB3 H 11.447 -5.107 8.083 1.00 . A A . 3 GLU HB3 1 1 10 1610 1 1 3 GLU HG2 H 13.311 -6.388 8.048 1.00 . A A . 3 GLU HG2 1 1 10 1611 1 1 3 GLU HG3 H 12.208 -7.491 7.225 1.00 . A A . 3 GLU HG3 1 1 10 1612 1 1 3 GLU N N 10.619 -6.216 5.006 1.00 . A A . 3 GLU N 1 1 10 1613 1 1 3 GLU O O 8.620 -4.661 7.511 1.00 . A A . 3 GLU O 1 1 10 1614 1 1 3 GLU OE1 O 13.714 -5.532 5.251 1.00 . A A . 3 GLU OE1 1 1 10 1615 1 1 3 GLU OE2 O 14.277 -7.605 5.718 1.00 . A A . 3 GLU OE2 1 1 10 1616 1 1 4 GLY C C 6.857 -3.321 5.618 1.00 . A A . 4 GLY C 1 1 10 1617 1 1 4 GLY CA C 8.288 -2.837 5.483 1.00 . A A . 4 GLY CA 1 1 10 1618 1 1 4 GLY H H 9.837 -4.054 4.708 1.00 . A A . 4 GLY H 1 1 10 1619 1 1 4 GLY HA2 H 8.513 -2.177 6.308 1.00 . A A . 4 GLY HA2 1 1 10 1620 1 1 4 GLY HA3 H 8.383 -2.286 4.559 1.00 . A A . 4 GLY HA3 1 1 10 1621 1 1 4 GLY N N 9.245 -3.927 5.479 1.00 . A A . 4 GLY N 1 1 10 1622 1 1 4 GLY O O 6.055 -2.717 6.330 1.00 . A A . 4 GLY O 1 1 10 1623 1 1 5 LYS C C 4.788 -5.314 6.410 1.00 . A A . 5 LYS C 1 1 10 1624 1 1 5 LYS CA C 5.194 -4.983 4.977 1.00 . A A . 5 LYS CA 1 1 10 1625 1 1 5 LYS CB C 5.123 -6.243 4.105 1.00 . A A . 5 LYS CB 1 1 10 1626 1 1 5 LYS CD C 4.255 -8.153 5.501 1.00 . A A . 5 LYS CD 1 1 10 1627 1 1 5 LYS CE C 3.141 -8.288 6.539 1.00 . A A . 5 LYS CE 1 1 10 1628 1 1 5 LYS CG C 3.928 -7.141 4.407 1.00 . A A . 5 LYS CG 1 1 10 1629 1 1 5 LYS H H 7.222 -4.851 4.383 1.00 . A A . 5 LYS H 1 1 10 1630 1 1 5 LYS HA H 4.511 -4.246 4.583 1.00 . A A . 5 LYS HA 1 1 10 1631 1 1 5 LYS HB2 H 5.067 -5.945 3.068 1.00 . A A . 5 LYS HB2 1 1 10 1632 1 1 5 LYS HB3 H 6.024 -6.820 4.254 1.00 . A A . 5 LYS HB3 1 1 10 1633 1 1 5 LYS HD2 H 4.413 -9.117 5.042 1.00 . A A . 5 LYS HD2 1 1 10 1634 1 1 5 LYS HD3 H 5.161 -7.845 6.000 1.00 . A A . 5 LYS HD3 1 1 10 1635 1 1 5 LYS HE2 H 2.531 -9.139 6.278 1.00 . A A . 5 LYS HE2 1 1 10 1636 1 1 5 LYS HE3 H 3.592 -8.458 7.506 1.00 . A A . 5 LYS HE3 1 1 10 1637 1 1 5 LYS HG2 H 3.104 -6.525 4.726 1.00 . A A . 5 LYS HG2 1 1 10 1638 1 1 5 LYS HG3 H 3.655 -7.673 3.507 1.00 . A A . 5 LYS HG3 1 1 10 1639 1 1 5 LYS HZ1 H 2.617 -6.328 7.119 1.00 . A A . 5 LYS HZ1 1 1 10 1640 1 1 5 LYS N N 6.538 -4.415 4.932 1.00 . A A . 5 LYS N 1 1 10 1641 1 1 5 LYS NZ N 2.283 -7.106 6.620 1.00 . A A . 5 LYS NZ 1 1 10 1642 1 1 5 LYS O O 3.681 -4.992 6.841 1.00 . A A . 5 LYS O 1 1 10 1643 1 1 6 PHE C C 4.694 -5.283 9.295 1.00 . A A . 6 PHE C 1 1 10 1644 1 1 6 PHE CA C 5.436 -6.368 8.520 1.00 . A A . 6 PHE CA 1 1 10 1645 1 1 6 PHE CB C 6.753 -6.697 9.226 1.00 . A A . 6 PHE CB 1 1 10 1646 1 1 6 PHE CD1 C 7.942 -8.348 7.757 1.00 . A A . 6 PHE CD1 1 1 10 1647 1 1 6 PHE CD2 C 7.057 -9.112 9.836 1.00 . A A . 6 PHE CD2 1 1 10 1648 1 1 6 PHE CE1 C 8.411 -9.619 7.486 1.00 . A A . 6 PHE CE1 1 1 10 1649 1 1 6 PHE CE2 C 7.524 -10.386 9.570 1.00 . A A . 6 PHE CE2 1 1 10 1650 1 1 6 PHE CG C 7.261 -8.080 8.934 1.00 . A A . 6 PHE CG 1 1 10 1651 1 1 6 PHE CZ C 8.202 -10.639 8.393 1.00 . A A . 6 PHE CZ 1 1 10 1652 1 1 6 PHE H H 6.549 -6.203 6.726 1.00 . A A . 6 PHE H 1 1 10 1653 1 1 6 PHE HA H 4.824 -7.256 8.499 1.00 . A A . 6 PHE HA 1 1 10 1654 1 1 6 PHE HB2 H 7.508 -5.993 8.911 1.00 . A A . 6 PHE HB2 1 1 10 1655 1 1 6 PHE HB3 H 6.611 -6.612 10.293 1.00 . A A . 6 PHE HB3 1 1 10 1656 1 1 6 PHE HD1 H 8.107 -7.551 7.048 1.00 . A A . 6 PHE HD1 1 1 10 1657 1 1 6 PHE HD2 H 6.528 -8.915 10.756 1.00 . A A . 6 PHE HD2 1 1 10 1658 1 1 6 PHE HE1 H 8.940 -9.814 6.565 1.00 . A A . 6 PHE HE1 1 1 10 1659 1 1 6 PHE HE2 H 7.359 -11.182 10.281 1.00 . A A . 6 PHE HE2 1 1 10 1660 1 1 6 PHE HZ H 8.567 -11.633 8.183 1.00 . A A . 6 PHE HZ 1 1 10 1661 1 1 6 PHE N N 5.690 -5.971 7.136 1.00 . A A . 6 PHE N 1 1 10 1662 1 1 6 PHE O O 3.626 -5.529 9.856 1.00 . A A . 6 PHE O 1 1 10 1663 1 1 7 THR C C 3.587 -2.285 9.209 1.00 . A A . 7 THR C 1 1 10 1664 1 1 7 THR CA C 4.654 -2.978 10.047 1.00 . A A . 7 THR CA 1 1 10 1665 1 1 7 THR CB C 5.704 -1.941 10.485 1.00 . A A . 7 THR CB 1 1 10 1666 1 1 7 THR CG2 C 5.083 -0.893 11.397 1.00 . A A . 7 THR CG2 1 1 10 1667 1 1 7 THR H H 6.120 -3.949 8.869 1.00 . A A . 7 THR H 1 1 10 1668 1 1 7 THR HA H 4.187 -3.383 10.931 1.00 . A A . 7 THR HA 1 1 10 1669 1 1 7 THR HB H 6.091 -1.447 9.605 1.00 . A A . 7 THR HB 1 1 10 1670 1 1 7 THR HG1 H 7.552 -2.623 10.593 1.00 . A A . 7 THR HG1 1 1 10 1671 1 1 7 THR HG21 H 5.814 -0.129 11.619 1.00 . A A . 7 THR HG21 1 1 10 1672 1 1 7 THR HG22 H 4.761 -1.360 12.316 1.00 . A A . 7 THR HG22 1 1 10 1673 1 1 7 THR HG23 H 4.233 -0.446 10.904 1.00 . A A . 7 THR HG23 1 1 10 1674 1 1 7 THR N N 5.267 -4.087 9.330 1.00 . A A . 7 THR N 1 1 10 1675 1 1 7 THR O O 2.668 -1.670 9.749 1.00 . A A . 7 THR O 1 1 10 1676 1 1 7 THR OG1 O 6.783 -2.593 11.167 1.00 . A A . 7 THR OG1 1 1 10 1677 1 1 8 SER C C 1.320 -2.227 7.335 1.00 . A A . 8 SER C 1 1 10 1678 1 1 8 SER CA C 2.733 -1.767 6.994 1.00 . A A . 8 SER CA 1 1 10 1679 1 1 8 SER CB C 3.053 -2.111 5.539 1.00 . A A . 8 SER CB 1 1 10 1680 1 1 8 SER H H 4.453 -2.892 7.510 1.00 . A A . 8 SER H 1 1 10 1681 1 1 8 SER HA H 2.794 -0.697 7.126 1.00 . A A . 8 SER HA 1 1 10 1682 1 1 8 SER HB2 H 2.601 -1.377 4.892 1.00 . A A . 8 SER HB2 1 1 10 1683 1 1 8 SER HB3 H 4.124 -2.106 5.397 1.00 . A A . 8 SER HB3 1 1 10 1684 1 1 8 SER HG H 2.410 -3.436 4.247 1.00 . A A . 8 SER HG 1 1 10 1685 1 1 8 SER N N 3.703 -2.387 7.889 1.00 . A A . 8 SER N 1 1 10 1686 1 1 8 SER O O 0.359 -1.466 7.221 1.00 . A A . 8 SER O 1 1 10 1687 1 1 8 SER OG O 2.552 -3.391 5.196 1.00 . A A . 8 SER OG 1 1 10 1688 1 1 9 GLU C C -0.317 -3.964 9.620 1.00 . A A . 9 GLU C 1 1 10 1689 1 1 9 GLU CA C -0.079 -4.061 8.118 1.00 . A A . 9 GLU CA 1 1 10 1690 1 1 9 GLU CB C -0.140 -5.521 7.668 1.00 . A A . 9 GLU CB 1 1 10 1691 1 1 9 GLU CD C 1.083 -7.035 6.056 1.00 . A A . 9 GLU CD 1 1 10 1692 1 1 9 GLU CG C 0.334 -5.733 6.240 1.00 . A A . 9 GLU CG 1 1 10 1693 1 1 9 GLU H H 2.014 -4.035 7.825 1.00 . A A . 9 GLU H 1 1 10 1694 1 1 9 GLU HA H -0.847 -3.504 7.607 1.00 . A A . 9 GLU HA 1 1 10 1695 1 1 9 GLU HB2 H 0.480 -6.115 8.323 1.00 . A A . 9 GLU HB2 1 1 10 1696 1 1 9 GLU HB3 H -1.161 -5.867 7.742 1.00 . A A . 9 GLU HB3 1 1 10 1697 1 1 9 GLU HG2 H -0.523 -5.737 5.588 1.00 . A A . 9 GLU HG2 1 1 10 1698 1 1 9 GLU HG3 H 0.987 -4.918 5.966 1.00 . A A . 9 GLU HG3 1 1 10 1699 1 1 9 GLU N N 1.208 -3.482 7.757 1.00 . A A . 9 GLU N 1 1 10 1700 1 1 9 GLU O O -1.428 -3.674 10.065 1.00 . A A . 9 GLU O 1 1 10 1701 1 1 9 GLU OE1 O 0.554 -7.995 5.497 1.00 . A A . 9 GLU OE1 1 1 10 1702 1 1 10 PHE C C 0.341 -2.706 12.300 1.00 . A A . 10 PHE C 1 1 10 1703 1 1 10 PHE CA C 0.635 -4.133 11.849 1.00 . A A . 10 PHE CA 1 1 10 1704 1 1 10 PHE CB C 1.928 -4.635 12.497 1.00 . A A . 10 PHE CB 1 1 10 1705 1 1 10 PHE CD1 C 0.802 -5.551 14.545 1.00 . A A . 10 PHE CD1 1 1 10 1706 1 1 10 PHE CD2 C 2.403 -6.918 13.425 1.00 . A A . 10 PHE CD2 1 1 10 1707 1 1 10 PHE CE1 C 0.596 -6.550 15.477 1.00 . A A . 10 PHE CE1 1 1 10 1708 1 1 10 PHE CE2 C 2.202 -7.921 14.354 1.00 . A A . 10 PHE CE2 1 1 10 1709 1 1 10 PHE CG C 1.707 -5.723 13.509 1.00 . A A . 10 PHE CG 1 1 10 1710 1 1 10 PHE CZ C 1.297 -7.736 15.382 1.00 . A A . 10 PHE CZ 1 1 10 1711 1 1 10 PHE H H 1.594 -4.422 9.981 1.00 . A A . 10 PHE H 1 1 10 1712 1 1 10 PHE HA H -0.182 -4.769 12.156 1.00 . A A . 10 PHE HA 1 1 10 1713 1 1 10 PHE HB2 H 2.579 -5.024 11.730 1.00 . A A . 10 PHE HB2 1 1 10 1714 1 1 10 PHE HB3 H 2.419 -3.811 12.995 1.00 . A A . 10 PHE HB3 1 1 10 1715 1 1 10 PHE HD1 H 0.254 -4.623 14.620 1.00 . A A . 10 PHE HD1 1 1 10 1716 1 1 10 PHE HD2 H 3.111 -7.063 12.622 1.00 . A A . 10 PHE HD2 1 1 10 1717 1 1 10 PHE HE1 H -0.112 -6.403 16.279 1.00 . A A . 10 PHE HE1 1 1 10 1718 1 1 10 PHE HE2 H 2.751 -8.848 14.278 1.00 . A A . 10 PHE HE2 1 1 10 1719 1 1 10 PHE HZ H 1.137 -8.518 16.109 1.00 . A A . 10 PHE HZ 1 1 10 1720 1 1 10 PHE N N 0.733 -4.201 10.396 1.00 . A A . 10 PHE N 1 1 10 1721 1 1 10 PHE O O -0.303 -2.486 13.326 1.00 . A A . 10 PHE O 1 1 10 1722 1 1 11 . C C 0.480 0.485 10.541 1.00 . A A . 11 PH8 C 1 1 10 1723 1 1 11 . CA C 0.601 -0.331 11.825 1.00 . A A . 11 PH8 CA 1 1 10 1724 1 1 11 . CB C 1.751 0.205 12.680 1.00 . A A . 11 PH8 CB 1 1 10 1725 1 1 11 . CD1 C 4.803 0.880 14.477 1.00 . A A . 11 PH8 CD1 1 1 10 1726 1 1 11 . CD2 C 3.515 1.540 16.373 1.00 . A A . 11 PH8 CD2 1 1 10 1727 1 1 11 . CE1 C 5.737 1.855 14.768 1.00 . A A . 11 PH8 CE1 1 1 10 1728 1 1 11 . CE2 C 4.446 2.517 16.669 1.00 . A A . 11 PH8 CE2 1 1 10 1729 1 1 11 . CG C 3.682 0.712 15.274 1.00 . A A . 11 PH8 CG 1 1 10 1730 1 1 11 . CI C 1.469 0.163 14.173 1.00 . A A . 11 PH8 CI 1 1 10 1731 1 1 11 . CJ C 2.669 -0.350 14.955 1.00 . A A . 11 PH8 CJ 1 1 10 1732 1 1 11 . CZ C 5.559 2.675 15.866 1.00 . A A . 11 PH8 CZ 1 1 10 1733 1 1 11 . HA H -0.320 -0.247 12.381 1.00 . A A . 11 PH8 HA 1 1 10 1734 1 1 11 . HB H 2.635 -0.384 12.484 1.00 . A A . 11 PH8 HB 1 1 10 1735 1 1 11 . HBA H 1.944 1.231 12.401 1.00 . A A . 11 PH8 HBA 1 1 10 1736 1 1 11 . HD1 H 4.943 0.241 13.618 1.00 . A A . 11 PH8 HD1 1 1 10 1737 1 1 11 . HD2 H 2.645 1.417 17.001 1.00 . A A . 11 PH8 HD2 1 1 10 1738 1 1 11 . HE1 H 6.607 1.976 14.139 1.00 . A A . 11 PH8 HE1 1 1 10 1739 1 1 11 . HE2 H 4.305 3.156 17.529 1.00 . A A . 11 PH8 HE2 1 1 10 1740 1 1 11 . HI H 1.230 1.159 14.513 1.00 . A A . 11 PH8 HI 1 1 10 1741 1 1 11 . HIA H 0.629 -0.492 14.352 1.00 . A A . 11 PH8 HIA 1 1 10 1742 1 1 11 . HJ H 3.158 -1.118 14.375 1.00 . A A . 11 PH8 HJ 1 1 10 1743 1 1 11 . HJA H 2.320 -0.771 15.886 1.00 . A A . 11 PH8 HJA 1 1 10 1744 1 1 11 . HN H 1.315 -1.982 10.713 1.00 . A A . 11 PH8 HN 1 1 10 1745 1 1 11 . HZ H 6.288 3.437 16.096 1.00 . A A . 11 PH8 HZ 1 1 10 1746 1 1 11 . N N 0.813 -1.740 11.519 1.00 . A A . 11 PH8 N 1 1 10 1747 1 1 11 . O O 0.777 1.679 10.523 1.00 . A A . 11 PH8 O 1 1 10 1748 1 1 12 NH2 HN1 H -0.169 -1.115 9.551 1.00 . A A . 12 NH2 HN1 1 1 10 1749 1 1 12 NH2 HN2 H -0.028 0.334 8.623 1.00 . A A . 12 NH2 HN2 1 1 10 1750 1 1 12 NH2 N N 0.051 -0.164 9.463 1.00 . A A . 12 NH2 N 1 1 11 1751 1 1 1 HIS C C 8.746 -7.463 0.651 1.00 . A A . 1 HIS C 1 1 11 1752 1 1 1 HIS CA C 7.497 -7.081 -0.138 1.00 . A A . 1 HIS CA 1 1 11 1753 1 1 1 HIS CB C 7.719 -7.319 -1.633 1.00 . A A . 1 HIS CB 1 1 11 1754 1 1 1 HIS CD2 C 6.020 -8.509 -3.190 1.00 . A A . 1 HIS CD2 1 1 11 1755 1 1 1 HIS CE1 C 4.460 -6.968 -3.199 1.00 . A A . 1 HIS CE1 1 1 11 1756 1 1 1 HIS CG C 6.450 -7.490 -2.408 1.00 . A A . 1 HIS CG 1 1 11 1757 1 1 1 HIS H1 H 6.137 -5.498 -0.106 1.00 . A A . 1 HIS H1 1 1 11 1758 1 1 1 HIS H2 H 7.696 -5.053 -0.588 1.00 . A A . 1 HIS H2 1 1 11 1759 1 1 1 HIS H3 H 7.373 -5.365 1.042 1.00 . A A . 1 HIS H3 1 1 11 1760 1 1 1 HIS HA H 6.668 -7.686 0.200 1.00 . A A . 1 HIS HA 1 1 11 1761 1 1 1 HIS HB2 H 8.251 -6.477 -2.049 1.00 . A A . 1 HIS HB2 1 1 11 1762 1 1 1 HIS HB3 H 8.312 -8.213 -1.763 1.00 . A A . 1 HIS HB3 1 1 11 1763 1 1 1 HIS HD1 H 5.464 -5.681 -1.965 1.00 . A A . 1 HIS HD1 1 1 11 1764 1 1 1 HIS HD2 H 6.553 -9.426 -3.398 1.00 . A A . 1 HIS HD2 1 1 11 1765 1 1 1 HIS HE1 H 3.545 -6.433 -3.405 1.00 . A A . 1 HIS HE1 1 1 11 1766 1 1 1 HIS HE2 H 4.185 -8.742 -4.183 1.00 . A A . 1 HIS HE2 1 1 11 1767 1 1 1 HIS N N 7.151 -5.650 0.067 1.00 . A A . 1 HIS N 1 1 11 1768 1 1 1 HIS ND1 N 5.450 -6.541 -2.436 1.00 . A A . 1 HIS ND1 1 1 11 1769 1 1 1 HIS NE2 N 4.781 -8.159 -3.669 1.00 . A A . 1 HIS NE2 1 1 11 1770 1 1 1 HIS O O 9.758 -7.866 0.077 1.00 . A A . 1 HIS O 1 1 11 1771 1 1 2 ABA C C 9.378 -7.428 4.306 1.00 . A A . 2 AIB C 1 1 11 1772 1 1 2 ABA CA C 9.793 -7.659 2.850 1.00 . A A . 2 AIB CA 1 1 11 1773 1 1 2 ABA H H 7.833 -7.003 2.370 1.00 . A A . 2 AIB H 1 1 11 1774 1 1 2 ABA N N 8.667 -7.330 1.972 1.00 . A A . 2 AIB N 1 1 11 1775 1 1 2 ABA O O 8.190 -7.353 4.616 1.00 . A A . 2 AIB O 1 1 11 1776 1 1 3 GLU C C 9.172 -5.894 6.811 1.00 . A A . 3 GLU C 1 1 11 1777 1 1 3 GLU CA C 10.098 -7.091 6.611 1.00 . A A . 3 GLU CA 1 1 11 1778 1 1 3 GLU CB C 11.409 -6.871 7.369 1.00 . A A . 3 GLU CB 1 1 11 1779 1 1 3 GLU CD C 12.770 -8.980 7.079 1.00 . A A . 3 GLU CD 1 1 11 1780 1 1 3 GLU CG C 11.950 -8.129 8.029 1.00 . A A . 3 GLU CG 1 1 11 1781 1 1 3 GLU H H 11.293 -7.383 4.886 1.00 . A A . 3 GLU H 1 1 11 1782 1 1 3 GLU HA H 9.612 -7.974 7.000 1.00 . A A . 3 GLU HA 1 1 11 1783 1 1 3 GLU HB2 H 12.154 -6.505 6.677 1.00 . A A . 3 GLU HB2 1 1 11 1784 1 1 3 GLU HB3 H 11.249 -6.128 8.137 1.00 . A A . 3 GLU HB3 1 1 11 1785 1 1 3 GLU HG2 H 12.575 -7.843 8.861 1.00 . A A . 3 GLU HG2 1 1 11 1786 1 1 3 GLU HG3 H 11.119 -8.717 8.390 1.00 . A A . 3 GLU HG3 1 1 11 1787 1 1 3 GLU N N 10.365 -7.316 5.193 1.00 . A A . 3 GLU N 1 1 11 1788 1 1 3 GLU O O 8.462 -5.808 7.813 1.00 . A A . 3 GLU O 1 1 11 1789 1 1 3 GLU OE1 O 13.576 -8.409 6.315 1.00 . A A . 3 GLU OE1 1 1 11 1790 1 1 3 GLU OE2 O 12.607 -10.218 7.100 1.00 . A A . 3 GLU OE2 1 1 11 1791 1 1 4 GLY C C 6.878 -4.142 6.170 1.00 . A A . 4 GLY C 1 1 11 1792 1 1 4 GLY CA C 8.338 -3.798 5.938 1.00 . A A . 4 GLY CA 1 1 11 1793 1 1 4 GLY H H 9.767 -5.096 5.073 1.00 . A A . 4 GLY H 1 1 11 1794 1 1 4 GLY HA2 H 8.684 -3.181 6.754 1.00 . A A . 4 GLY HA2 1 1 11 1795 1 1 4 GLY HA3 H 8.422 -3.239 5.018 1.00 . A A . 4 GLY HA3 1 1 11 1796 1 1 4 GLY N N 9.182 -4.975 5.850 1.00 . A A . 4 GLY N 1 1 11 1797 1 1 4 GLY O O 6.116 -3.322 6.683 1.00 . A A . 4 GLY O 1 1 11 1798 1 1 5 LYS C C 4.685 -5.709 7.426 1.00 . A A . 5 LYS C 1 1 11 1799 1 1 5 LYS CA C 5.108 -5.802 5.966 1.00 . A A . 5 LYS CA 1 1 11 1800 1 1 5 LYS CB C 4.941 -7.241 5.472 1.00 . A A . 5 LYS CB 1 1 11 1801 1 1 5 LYS CD C 3.338 -8.934 6.429 1.00 . A A . 5 LYS CD 1 1 11 1802 1 1 5 LYS CE C 3.639 -8.584 7.879 1.00 . A A . 5 LYS CE 1 1 11 1803 1 1 5 LYS CG C 3.501 -7.730 5.513 1.00 . A A . 5 LYS CG 1 1 11 1804 1 1 5 LYS H H 7.139 -5.967 5.390 1.00 . A A . 5 LYS H 1 1 11 1805 1 1 5 LYS HA H 4.475 -5.155 5.378 1.00 . A A . 5 LYS HA 1 1 11 1806 1 1 5 LYS HB2 H 5.292 -7.303 4.453 1.00 . A A . 5 LYS HB2 1 1 11 1807 1 1 5 LYS HB3 H 5.540 -7.893 6.091 1.00 . A A . 5 LYS HB3 1 1 11 1808 1 1 5 LYS HD2 H 2.321 -9.290 6.361 1.00 . A A . 5 LYS HD2 1 1 11 1809 1 1 5 LYS HD3 H 4.015 -9.712 6.108 1.00 . A A . 5 LYS HD3 1 1 11 1810 1 1 5 LYS HE2 H 3.580 -9.485 8.472 1.00 . A A . 5 LYS HE2 1 1 11 1811 1 1 5 LYS HE3 H 4.640 -8.183 7.938 1.00 . A A . 5 LYS HE3 1 1 11 1812 1 1 5 LYS HG2 H 2.871 -6.931 5.873 1.00 . A A . 5 LYS HG2 1 1 11 1813 1 1 5 LYS HG3 H 3.198 -8.006 4.514 1.00 . A A . 5 LYS HG3 1 1 11 1814 1 1 5 LYS HZ1 H 3.074 -6.826 8.888 1.00 . A A . 5 LYS HZ1 1 1 11 1815 1 1 5 LYS N N 6.487 -5.357 5.793 1.00 . A A . 5 LYS N 1 1 11 1816 1 1 5 LYS NZ N 2.700 -7.602 8.420 1.00 . A A . 5 LYS NZ 1 1 11 1817 1 1 5 LYS O O 3.569 -5.289 7.731 1.00 . A A . 5 LYS O 1 1 11 1818 1 1 6 PHE C C 4.608 -4.775 10.153 1.00 . A A . 6 PHE C 1 1 11 1819 1 1 6 PHE CA C 5.309 -6.072 9.761 1.00 . A A . 6 PHE CA 1 1 11 1820 1 1 6 PHE CB C 6.609 -6.220 10.555 1.00 . A A . 6 PHE CB 1 1 11 1821 1 1 6 PHE CD1 C 5.482 -6.380 12.791 1.00 . A A . 6 PHE CD1 1 1 11 1822 1 1 6 PHE CD2 C 7.182 -7.968 12.262 1.00 . A A . 6 PHE CD2 1 1 11 1823 1 1 6 PHE CE1 C 5.306 -6.975 14.026 1.00 . A A . 6 PHE CE1 1 1 11 1824 1 1 6 PHE CE2 C 7.010 -8.567 13.496 1.00 . A A . 6 PHE CE2 1 1 11 1825 1 1 6 PHE CG C 6.421 -6.869 11.896 1.00 . A A . 6 PHE CG 1 1 11 1826 1 1 6 PHE CZ C 6.071 -8.069 14.379 1.00 . A A . 6 PHE CZ 1 1 11 1827 1 1 6 PHE H H 6.456 -6.431 8.016 1.00 . A A . 6 PHE H 1 1 11 1828 1 1 6 PHE HA H 4.661 -6.903 9.994 1.00 . A A . 6 PHE HA 1 1 11 1829 1 1 6 PHE HB2 H 7.302 -6.823 9.988 1.00 . A A . 6 PHE HB2 1 1 11 1830 1 1 6 PHE HB3 H 7.038 -5.242 10.715 1.00 . A A . 6 PHE HB3 1 1 11 1831 1 1 6 PHE HD1 H 4.884 -5.524 12.516 1.00 . A A . 6 PHE HD1 1 1 11 1832 1 1 6 PHE HD2 H 7.916 -8.357 11.573 1.00 . A A . 6 PHE HD2 1 1 11 1833 1 1 6 PHE HE1 H 4.571 -6.584 14.714 1.00 . A A . 6 PHE HE1 1 1 11 1834 1 1 6 PHE HE2 H 7.609 -9.423 13.770 1.00 . A A . 6 PHE HE2 1 1 11 1835 1 1 6 PHE HZ H 5.935 -8.535 15.344 1.00 . A A . 6 PHE HZ 1 1 11 1836 1 1 6 PHE N N 5.585 -6.106 8.326 1.00 . A A . 6 PHE N 1 1 11 1837 1 1 6 PHE O O 3.539 -4.794 10.764 1.00 . A A . 6 PHE O 1 1 11 1838 1 1 7 THR C C 3.629 -1.929 9.032 1.00 . A A . 7 THR C 1 1 11 1839 1 1 7 THR CA C 4.646 -2.347 10.091 1.00 . A A . 7 THR CA 1 1 11 1840 1 1 7 THR CB C 5.739 -1.267 10.193 1.00 . A A . 7 THR CB 1 1 11 1841 1 1 7 THR CG2 C 5.289 -0.121 11.087 1.00 . A A . 7 THR CG2 1 1 11 1842 1 1 7 THR H H 6.061 -3.704 9.296 1.00 . A A . 7 THR H 1 1 11 1843 1 1 7 THR HA H 4.146 -2.417 11.046 1.00 . A A . 7 THR HA 1 1 11 1844 1 1 7 THR HB H 5.932 -0.877 9.204 1.00 . A A . 7 THR HB 1 1 11 1845 1 1 7 THR HG1 H 7.500 -2.132 9.987 1.00 . A A . 7 THR HG1 1 1 11 1846 1 1 7 THR HG21 H 4.576 0.492 10.556 1.00 . A A . 7 THR HG21 1 1 11 1847 1 1 7 THR HG22 H 6.144 0.477 11.364 1.00 . A A . 7 THR HG22 1 1 11 1848 1 1 7 THR HG23 H 4.826 -0.520 11.978 1.00 . A A . 7 THR HG23 1 1 11 1849 1 1 7 THR N N 5.214 -3.653 9.787 1.00 . A A . 7 THR N 1 1 11 1850 1 1 7 THR O O 2.792 -1.059 9.272 1.00 . A A . 7 THR O 1 1 11 1851 1 1 7 THR OG1 O 6.945 -1.837 10.714 1.00 . A A . 7 THR OG1 1 1 11 1852 1 1 8 SER C C 1.357 -2.612 7.140 1.00 . A A . 8 SER C 1 1 11 1853 1 1 8 SER CA C 2.789 -2.245 6.768 1.00 . A A . 8 SER CA 1 1 11 1854 1 1 8 SER CB C 3.206 -2.991 5.499 1.00 . A A . 8 SER CB 1 1 11 1855 1 1 8 SER H H 4.392 -3.239 7.726 1.00 . A A . 8 SER H 1 1 11 1856 1 1 8 SER HA H 2.840 -1.183 6.584 1.00 . A A . 8 SER HA 1 1 11 1857 1 1 8 SER HB2 H 4.283 -2.999 5.426 1.00 . A A . 8 SER HB2 1 1 11 1858 1 1 8 SER HB3 H 2.841 -4.006 5.544 1.00 . A A . 8 SER HB3 1 1 11 1859 1 1 8 SER HG H 1.719 -2.326 4.410 1.00 . A A . 8 SER HG 1 1 11 1860 1 1 8 SER N N 3.705 -2.554 7.860 1.00 . A A . 8 SER N 1 1 11 1861 1 1 8 SER O O 0.433 -1.821 6.944 1.00 . A A . 8 SER O 1 1 11 1862 1 1 8 SER OG O 2.676 -2.366 4.343 1.00 . A A . 8 SER OG 1 1 11 1863 1 1 9 GLU C C -0.456 -3.877 9.512 1.00 . A A . 9 GLU C 1 1 11 1864 1 1 9 GLU CA C -0.144 -4.285 8.074 1.00 . A A . 9 GLU CA 1 1 11 1865 1 1 9 GLU CB C -0.243 -5.807 7.920 1.00 . A A . 9 GLU CB 1 1 11 1866 1 1 9 GLU CD C 1.380 -7.704 8.313 1.00 . A A . 9 GLU CD 1 1 11 1867 1 1 9 GLU CG C 0.574 -6.584 8.940 1.00 . A A . 9 GLU CG 1 1 11 1868 1 1 9 GLU H H 1.953 -4.402 7.807 1.00 . A A . 9 GLU H 1 1 11 1869 1 1 9 GLU HA H -0.867 -3.820 7.420 1.00 . A A . 9 GLU HA 1 1 11 1870 1 1 9 GLU HB2 H -1.277 -6.100 8.022 1.00 . A A . 9 GLU HB2 1 1 11 1871 1 1 9 GLU HB3 H 0.102 -6.078 6.933 1.00 . A A . 9 GLU HB3 1 1 11 1872 1 1 9 GLU HG2 H 1.254 -5.904 9.430 1.00 . A A . 9 GLU HG2 1 1 11 1873 1 1 9 GLU HG3 H -0.098 -7.009 9.671 1.00 . A A . 9 GLU HG3 1 1 11 1874 1 1 9 GLU N N 1.178 -3.816 7.676 1.00 . A A . 9 GLU N 1 1 11 1875 1 1 9 GLU O O -1.607 -3.602 9.852 1.00 . A A . 9 GLU O 1 1 11 1876 1 1 9 GLU OE1 O 0.925 -8.846 8.239 1.00 . A A . 9 GLU OE1 1 1 11 1877 1 1 10 PHE C C 0.190 -1.942 11.863 1.00 . A A . 10 PHE C 1 1 11 1878 1 1 10 PHE CA C 0.403 -3.447 11.747 1.00 . A A . 10 PHE CA 1 1 11 1879 1 1 10 PHE CB C 1.621 -3.867 12.573 1.00 . A A . 10 PHE CB 1 1 11 1880 1 1 10 PHE CD1 C 0.453 -4.000 14.791 1.00 . A A . 10 PHE CD1 1 1 11 1881 1 1 10 PHE CD2 C 2.451 -2.708 14.639 1.00 . A A . 10 PHE CD2 1 1 11 1882 1 1 10 PHE CE1 C 0.344 -3.680 16.131 1.00 . A A . 10 PHE CE1 1 1 11 1883 1 1 10 PHE CE2 C 2.347 -2.385 15.979 1.00 . A A . 10 PHE CE2 1 1 11 1884 1 1 10 PHE CG C 1.506 -3.519 14.031 1.00 . A A . 10 PHE CG 1 1 11 1885 1 1 10 PHE CZ C 1.292 -2.871 16.726 1.00 . A A . 10 PHE CZ 1 1 11 1886 1 1 10 PHE H H 1.472 -4.055 10.022 1.00 . A A . 10 PHE H 1 1 11 1887 1 1 10 PHE HA H -0.472 -3.954 12.126 1.00 . A A . 10 PHE HA 1 1 11 1888 1 1 10 PHE HB2 H 1.747 -4.937 12.497 1.00 . A A . 10 PHE HB2 1 1 11 1889 1 1 10 PHE HB3 H 2.500 -3.377 12.181 1.00 . A A . 10 PHE HB3 1 1 11 1890 1 1 10 PHE HD1 H -0.289 -4.634 14.328 1.00 . A A . 10 PHE HD1 1 1 11 1891 1 1 10 PHE HD2 H 3.277 -2.327 14.057 1.00 . A A . 10 PHE HD2 1 1 11 1892 1 1 10 PHE HE1 H -0.483 -4.062 16.713 1.00 . A A . 10 PHE HE1 1 1 11 1893 1 1 10 PHE HE2 H 3.090 -1.752 16.442 1.00 . A A . 10 PHE HE2 1 1 11 1894 1 1 10 PHE HZ H 1.209 -2.620 17.773 1.00 . A A . 10 PHE HZ 1 1 11 1895 1 1 10 PHE N N 0.575 -3.831 10.351 1.00 . A A . 10 PHE N 1 1 11 1896 1 1 10 PHE O O -0.624 -1.478 12.662 1.00 . A A . 10 PHE O 1 1 11 1897 1 1 11 . C C 0.688 0.796 9.628 1.00 . A A . 11 PH8 C 1 1 11 1898 1 1 11 . CA C 0.819 0.267 11.054 1.00 . A A . 11 PH8 CA 1 1 11 1899 1 1 11 . CB C 2.041 0.889 11.733 1.00 . A A . 11 PH8 CB 1 1 11 1900 1 1 11 . CD1 C 1.913 2.226 16.021 1.00 . A A . 11 PH8 CD1 1 1 11 1901 1 1 11 . CD2 C 4.163 1.438 16.062 1.00 . A A . 11 PH8 CD2 1 1 11 1902 1 1 11 . CE1 C 1.890 2.241 17.402 1.00 . A A . 11 PH8 CE1 1 1 11 1903 1 1 11 . CE2 C 4.146 1.451 17.444 1.00 . A A . 11 PH8 CE2 1 1 11 1904 1 1 11 . CG C 3.048 1.825 15.336 1.00 . A A . 11 PH8 CG 1 1 11 1905 1 1 11 . CI C 1.835 1.179 13.210 1.00 . A A . 11 PH8 CI 1 1 11 1906 1 1 11 . CJ C 3.070 1.809 13.834 1.00 . A A . 11 PH8 CJ 1 1 11 1907 1 1 11 . CZ C 3.008 1.853 18.115 1.00 . A A . 11 PH8 CZ 1 1 11 1908 1 1 11 . HA H -0.067 0.535 11.608 1.00 . A A . 11 PH8 HA 1 1 11 1909 1 1 11 . HB H 2.877 0.212 11.635 1.00 . A A . 11 PH8 HB 1 1 11 1910 1 1 11 . HBA H 2.282 1.817 11.236 1.00 . A A . 11 PH8 HBA 1 1 11 1911 1 1 11 . HD1 H 1.038 2.529 15.465 1.00 . A A . 11 PH8 HD1 1 1 11 1912 1 1 11 . HD2 H 5.054 1.124 15.538 1.00 . A A . 11 PH8 HD2 1 1 11 1913 1 1 11 . HE1 H 0.998 2.556 17.925 1.00 . A A . 11 PH8 HE1 1 1 11 1914 1 1 11 . HE2 H 5.022 1.147 17.999 1.00 . A A . 11 PH8 HE2 1 1 11 1915 1 1 11 . HI H 1.001 1.857 13.321 1.00 . A A . 11 PH8 HI 1 1 11 1916 1 1 11 . HIA H 1.618 0.253 13.722 1.00 . A A . 11 PH8 HIA 1 1 11 1917 1 1 11 . HJ H 3.149 2.830 13.488 1.00 . A A . 11 PH8 HJ 1 1 11 1918 1 1 11 . HJA H 3.940 1.254 13.516 1.00 . A A . 11 PH8 HJA 1 1 11 1919 1 1 11 . HN H 1.552 -1.619 10.438 1.00 . A A . 11 PH8 HN 1 1 11 1920 1 1 11 . HZ H 2.991 1.864 19.195 1.00 . A A . 11 PH8 HZ 1 1 11 1921 1 1 11 . N N 0.925 -1.187 11.054 1.00 . A A . 11 PH8 N 1 1 11 1922 1 1 11 . O O 1.107 1.914 9.329 1.00 . A A . 11 PH8 O 1 1 11 1923 1 1 12 NH2 HN1 H -0.197 -0.891 9.057 1.00 . A A . 12 NH2 HN1 1 1 11 1924 1 1 12 NH2 HN2 H 0.026 0.293 7.820 1.00 . A A . 12 NH2 HN2 1 1 11 1925 1 1 12 NH2 N N 0.113 -0.015 8.747 1.00 . A A . 12 NH2 N 1 1 12 1926 1 1 1 HIS C C 7.475 -7.332 1.941 1.00 . A A . 1 HIS C 1 1 12 1927 1 1 1 HIS CA C 6.355 -6.736 1.096 1.00 . A A . 1 HIS CA 1 1 12 1928 1 1 1 HIS CB C 6.273 -5.225 1.319 1.00 . A A . 1 HIS CB 1 1 12 1929 1 1 1 HIS CD2 C 3.747 -4.664 1.128 1.00 . A A . 1 HIS CD2 1 1 12 1930 1 1 1 HIS CE1 C 3.838 -3.380 -0.647 1.00 . A A . 1 HIS CE1 1 1 12 1931 1 1 1 HIS CG C 5.043 -4.597 0.740 1.00 . A A . 1 HIS CG 1 1 12 1932 1 1 1 HIS H1 H 4.626 -6.846 2.260 1.00 . A A . 1 HIS H1 1 1 12 1933 1 1 1 HIS H2 H 5.162 -8.344 1.686 1.00 . A A . 1 HIS H2 1 1 12 1934 1 1 1 HIS H3 H 4.389 -7.266 0.638 1.00 . A A . 1 HIS H3 1 1 12 1935 1 1 1 HIS HA H 6.557 -6.932 0.053 1.00 . A A . 1 HIS HA 1 1 12 1936 1 1 1 HIS HB2 H 6.279 -5.024 2.380 1.00 . A A . 1 HIS HB2 1 1 12 1937 1 1 1 HIS HB3 H 7.133 -4.754 0.865 1.00 . A A . 1 HIS HB3 1 1 12 1938 1 1 1 HIS HD1 H 5.863 -3.541 -0.890 1.00 . A A . 1 HIS HD1 1 1 12 1939 1 1 1 HIS HD2 H 3.358 -5.216 1.972 1.00 . A A . 1 HIS HD2 1 1 12 1940 1 1 1 HIS HE1 H 3.552 -2.734 -1.464 1.00 . A A . 1 HIS HE1 1 1 12 1941 1 1 1 HIS HE2 H 2.064 -3.696 0.327 1.00 . A A . 1 HIS HE2 1 1 12 1942 1 1 1 HIS N N 5.041 -7.340 1.444 1.00 . A A . 1 HIS N 1 1 12 1943 1 1 1 HIS ND1 N 5.066 -3.785 -0.375 1.00 . A A . 1 HIS ND1 1 1 12 1944 1 1 1 HIS NE2 N 3.020 -3.900 0.249 1.00 . A A . 1 HIS NE2 1 1 12 1945 1 1 1 HIS O O 7.261 -8.283 2.693 1.00 . A A . 1 HIS O 1 1 12 1946 1 1 2 ABA C C 9.553 -7.100 4.071 1.00 . A A . 2 AIB C 1 1 12 1947 1 1 2 ABA CA C 9.833 -7.239 2.572 1.00 . A A . 2 AIB CA 1 1 12 1948 1 1 2 ABA H H 8.779 -6.009 1.200 1.00 . A A . 2 AIB H 1 1 12 1949 1 1 2 ABA N N 8.672 -6.765 1.815 1.00 . A A . 2 AIB N 1 1 12 1950 1 1 2 ABA O O 8.404 -6.948 4.485 1.00 . A A . 2 AIB O 1 1 12 1951 1 1 3 GLU C C 9.642 -5.808 6.699 1.00 . A A . 3 GLU C 1 1 12 1952 1 1 3 GLU CA C 10.475 -7.030 6.327 1.00 . A A . 3 GLU CA 1 1 12 1953 1 1 3 GLU CB C 11.854 -6.939 6.982 1.00 . A A . 3 GLU CB 1 1 12 1954 1 1 3 GLU CD C 13.664 -8.276 8.129 1.00 . A A . 3 GLU CD 1 1 12 1955 1 1 3 GLU CG C 12.573 -8.275 7.076 1.00 . A A . 3 GLU CG 1 1 12 1956 1 1 3 GLU H H 11.502 -7.274 4.490 1.00 . A A . 3 GLU H 1 1 12 1957 1 1 3 GLU HA H 9.972 -7.914 6.689 1.00 . A A . 3 GLU HA 1 1 12 1958 1 1 3 GLU HB2 H 12.470 -6.264 6.406 1.00 . A A . 3 GLU HB2 1 1 12 1959 1 1 3 GLU HB3 H 11.740 -6.544 7.981 1.00 . A A . 3 GLU HB3 1 1 12 1960 1 1 3 GLU HG2 H 11.852 -9.040 7.325 1.00 . A A . 3 GLU HG2 1 1 12 1961 1 1 3 GLU HG3 H 13.017 -8.498 6.117 1.00 . A A . 3 GLU HG3 1 1 12 1962 1 1 3 GLU N N 10.610 -7.151 4.878 1.00 . A A . 3 GLU N 1 1 12 1963 1 1 3 GLU O O 8.959 -5.798 7.723 1.00 . A A . 3 GLU O 1 1 12 1964 1 1 3 GLU OE1 O 13.424 -7.745 9.233 1.00 . A A . 3 GLU OE1 1 1 12 1965 1 1 3 GLU OE2 O 14.758 -8.809 7.848 1.00 . A A . 3 GLU OE2 1 1 12 1966 1 1 4 GLY C C 7.447 -3.826 6.151 1.00 . A A . 4 GLY C 1 1 12 1967 1 1 4 GLY CA C 8.941 -3.573 6.117 1.00 . A A . 4 GLY CA 1 1 12 1968 1 1 4 GLY H H 10.257 -4.845 5.056 1.00 . A A . 4 GLY H 1 1 12 1969 1 1 4 GLY HA2 H 9.247 -3.166 7.070 1.00 . A A . 4 GLY HA2 1 1 12 1970 1 1 4 GLY HA3 H 9.155 -2.851 5.345 1.00 . A A . 4 GLY HA3 1 1 12 1971 1 1 4 GLY N N 9.699 -4.781 5.858 1.00 . A A . 4 GLY N 1 1 12 1972 1 1 4 GLY O O 6.695 -3.051 6.741 1.00 . A A . 4 GLY O 1 1 12 1973 1 1 5 LYS C C 5.070 -5.463 6.907 1.00 . A A . 5 LYS C 1 1 12 1974 1 1 5 LYS CA C 5.596 -5.255 5.491 1.00 . A A . 5 LYS CA 1 1 12 1975 1 1 5 LYS CB C 5.353 -6.504 4.629 1.00 . A A . 5 LYS CB 1 1 12 1976 1 1 5 LYS CD C 4.321 -8.564 5.649 1.00 . A A . 5 LYS CD 1 1 12 1977 1 1 5 LYS CE C 3.861 -8.318 7.077 1.00 . A A . 5 LYS CE 1 1 12 1978 1 1 5 LYS CG C 5.617 -7.826 5.341 1.00 . A A . 5 LYS CG 1 1 12 1979 1 1 5 LYS H H 7.655 -5.498 5.066 1.00 . A A . 5 LYS H 1 1 12 1980 1 1 5 LYS HA H 5.069 -4.421 5.050 1.00 . A A . 5 LYS HA 1 1 12 1981 1 1 5 LYS HB2 H 4.325 -6.501 4.298 1.00 . A A . 5 LYS HB2 1 1 12 1982 1 1 5 LYS HB3 H 5.997 -6.455 3.763 1.00 . A A . 5 LYS HB3 1 1 12 1983 1 1 5 LYS HD2 H 3.554 -8.221 4.971 1.00 . A A . 5 LYS HD2 1 1 12 1984 1 1 5 LYS HD3 H 4.480 -9.623 5.508 1.00 . A A . 5 LYS HD3 1 1 12 1985 1 1 5 LYS HE2 H 3.529 -9.254 7.501 1.00 . A A . 5 LYS HE2 1 1 12 1986 1 1 5 LYS HE3 H 4.693 -7.943 7.647 1.00 . A A . 5 LYS HE3 1 1 12 1987 1 1 5 LYS HG2 H 6.229 -8.448 4.705 1.00 . A A . 5 LYS HG2 1 1 12 1988 1 1 5 LYS HG3 H 6.139 -7.631 6.264 1.00 . A A . 5 LYS HG3 1 1 12 1989 1 1 5 LYS HZ1 H 2.916 -6.512 7.630 1.00 . A A . 5 LYS HZ1 1 1 12 1990 1 1 5 LYS N N 7.012 -4.914 5.519 1.00 . A A . 5 LYS N 1 1 12 1991 1 1 5 LYS NZ N 2.763 -7.354 7.140 1.00 . A A . 5 LYS NZ 1 1 12 1992 1 1 5 LYS O O 3.921 -5.140 7.206 1.00 . A A . 5 LYS O 1 1 12 1993 1 1 6 PHE C C 4.855 -5.022 9.758 1.00 . A A . 6 PHE C 1 1 12 1994 1 1 6 PHE CA C 5.558 -6.236 9.172 1.00 . A A . 6 PHE CA 1 1 12 1995 1 1 6 PHE CB C 6.800 -6.569 10.000 1.00 . A A . 6 PHE CB 1 1 12 1996 1 1 6 PHE CD1 C 5.885 -8.779 10.759 1.00 . A A . 6 PHE CD1 1 1 12 1997 1 1 6 PHE CD2 C 6.989 -7.399 12.360 1.00 . A A . 6 PHE CD2 1 1 12 1998 1 1 6 PHE CE1 C 5.656 -9.732 11.733 1.00 . A A . 6 PHE CE1 1 1 12 1999 1 1 6 PHE CE2 C 6.763 -8.349 13.339 1.00 . A A . 6 PHE CE2 1 1 12 2000 1 1 6 PHE CG C 6.553 -7.603 11.061 1.00 . A A . 6 PHE CG 1 1 12 2001 1 1 6 PHE CZ C 6.095 -9.516 13.024 1.00 . A A . 6 PHE CZ 1 1 12 2002 1 1 6 PHE H H 6.833 -6.219 7.481 1.00 . A A . 6 PHE H 1 1 12 2003 1 1 6 PHE HA H 4.882 -7.075 9.199 1.00 . A A . 6 PHE HA 1 1 12 2004 1 1 6 PHE HB2 H 7.572 -6.943 9.344 1.00 . A A . 6 PHE HB2 1 1 12 2005 1 1 6 PHE HB3 H 7.152 -5.670 10.486 1.00 . A A . 6 PHE HB3 1 1 12 2006 1 1 6 PHE HD1 H 5.541 -8.948 9.749 1.00 . A A . 6 PHE HD1 1 1 12 2007 1 1 6 PHE HD2 H 7.511 -6.487 12.607 1.00 . A A . 6 PHE HD2 1 1 12 2008 1 1 6 PHE HE1 H 5.133 -10.644 11.485 1.00 . A A . 6 PHE HE1 1 1 12 2009 1 1 6 PHE HE2 H 7.108 -8.178 14.348 1.00 . A A . 6 PHE HE2 1 1 12 2010 1 1 6 PHE HZ H 5.917 -10.260 13.787 1.00 . A A . 6 PHE HZ 1 1 12 2011 1 1 6 PHE N N 5.927 -5.993 7.780 1.00 . A A . 6 PHE N 1 1 12 2012 1 1 6 PHE O O 3.893 -5.151 10.515 1.00 . A A . 6 PHE O 1 1 12 2013 1 1 7 THR C C 3.633 -2.129 8.971 1.00 . A A . 7 THR C 1 1 12 2014 1 1 7 THR CA C 4.753 -2.608 9.885 1.00 . A A . 7 THR CA 1 1 12 2015 1 1 7 THR CB C 5.809 -1.495 10.038 1.00 . A A . 7 THR CB 1 1 12 2016 1 1 7 THR CG2 C 6.438 -1.144 8.697 1.00 . A A . 7 THR CG2 1 1 12 2017 1 1 7 THR H H 6.107 -3.804 8.785 1.00 . A A . 7 THR H 1 1 12 2018 1 1 7 THR HA H 4.334 -2.818 10.855 1.00 . A A . 7 THR HA 1 1 12 2019 1 1 7 THR HB H 6.587 -1.849 10.698 1.00 . A A . 7 THR HB 1 1 12 2020 1 1 7 THR HG1 H 5.590 -0.161 11.474 1.00 . A A . 7 THR HG1 1 1 12 2021 1 1 7 THR HG21 H 6.804 -0.128 8.726 1.00 . A A . 7 THR HG21 1 1 12 2022 1 1 7 THR HG22 H 5.700 -1.237 7.915 1.00 . A A . 7 THR HG22 1 1 12 2023 1 1 7 THR HG23 H 7.260 -1.816 8.498 1.00 . A A . 7 THR HG23 1 1 12 2024 1 1 7 THR N N 5.340 -3.843 9.395 1.00 . A A . 7 THR N 1 1 12 2025 1 1 7 THR O O 2.669 -1.514 9.428 1.00 . A A . 7 THR O 1 1 12 2026 1 1 7 THR OG1 O 5.210 -0.326 10.608 1.00 . A A . 7 THR OG1 1 1 12 2027 1 1 8 SER C C 1.386 -2.629 7.102 1.00 . A A . 8 SER C 1 1 12 2028 1 1 8 SER CA C 2.735 -2.029 6.718 1.00 . A A . 8 SER CA 1 1 12 2029 1 1 8 SER CB C 3.128 -2.481 5.310 1.00 . A A . 8 SER CB 1 1 12 2030 1 1 8 SER H H 4.537 -2.924 7.374 1.00 . A A . 8 SER H 1 1 12 2031 1 1 8 SER HA H 2.657 -0.952 6.736 1.00 . A A . 8 SER HA 1 1 12 2032 1 1 8 SER HB2 H 3.287 -3.549 5.309 1.00 . A A . 8 SER HB2 1 1 12 2033 1 1 8 SER HB3 H 2.334 -2.235 4.620 1.00 . A A . 8 SER HB3 1 1 12 2034 1 1 8 SER HG H 5.070 -2.412 5.063 1.00 . A A . 8 SER HG 1 1 12 2035 1 1 8 SER N N 3.753 -2.423 7.682 1.00 . A A . 8 SER N 1 1 12 2036 1 1 8 SER O O 0.332 -2.079 6.780 1.00 . A A . 8 SER O 1 1 12 2037 1 1 8 SER OG O 4.319 -1.842 4.883 1.00 . A A . 8 SER OG 1 1 12 2038 1 1 9 GLU C C -0.138 -4.048 9.665 1.00 . A A . 9 GLU C 1 1 12 2039 1 1 9 GLU CA C 0.227 -4.446 8.240 1.00 . A A . 9 GLU CA 1 1 12 2040 1 1 9 GLU CB C 0.419 -5.960 8.149 1.00 . A A . 9 GLU CB 1 1 12 2041 1 1 9 GLU CD C 1.583 -7.559 6.568 1.00 . A A . 9 GLU CD 1 1 12 2042 1 1 9 GLU CG C 0.554 -6.459 6.721 1.00 . A A . 9 GLU CG 1 1 12 2043 1 1 9 GLU H H 2.306 -4.145 8.027 1.00 . A A . 9 GLU H 1 1 12 2044 1 1 9 GLU HA H -0.576 -4.155 7.584 1.00 . A A . 9 GLU HA 1 1 12 2045 1 1 9 GLU HB2 H 1.312 -6.233 8.692 1.00 . A A . 9 GLU HB2 1 1 12 2046 1 1 9 GLU HB3 H -0.431 -6.449 8.600 1.00 . A A . 9 GLU HB3 1 1 12 2047 1 1 9 GLU HG2 H -0.399 -6.839 6.398 1.00 . A A . 9 GLU HG2 1 1 12 2048 1 1 9 GLU HG3 H 0.840 -5.630 6.090 1.00 . A A . 9 GLU HG3 1 1 12 2049 1 1 9 GLU N N 1.434 -3.761 7.800 1.00 . A A . 9 GLU N 1 1 12 2050 1 1 9 GLU O O -1.299 -3.771 9.964 1.00 . A A . 9 GLU O 1 1 12 2051 1 1 9 GLU OE1 O 1.243 -8.708 6.284 1.00 . A A . 9 GLU OE1 1 1 12 2052 1 1 10 PHE C C 0.038 -2.250 12.027 1.00 . A A . 10 PHE C 1 1 12 2053 1 1 10 PHE CA C 0.643 -3.646 11.932 1.00 . A A . 10 PHE CA 1 1 12 2054 1 1 10 PHE CB C 1.959 -3.702 12.712 1.00 . A A . 10 PHE CB 1 1 12 2055 1 1 10 PHE CD1 C 1.332 -5.774 13.981 1.00 . A A . 10 PHE CD1 1 1 12 2056 1 1 10 PHE CD2 C 2.321 -3.965 15.180 1.00 . A A . 10 PHE CD2 1 1 12 2057 1 1 10 PHE CE1 C 1.248 -6.507 15.150 1.00 . A A . 10 PHE CE1 1 1 12 2058 1 1 10 PHE CE2 C 2.239 -4.693 16.352 1.00 . A A . 10 PHE CE2 1 1 12 2059 1 1 10 PHE CG C 1.869 -4.496 13.983 1.00 . A A . 10 PHE CG 1 1 12 2060 1 1 10 PHE CZ C 1.702 -5.966 16.337 1.00 . A A . 10 PHE CZ 1 1 12 2061 1 1 10 PHE H H 1.766 -4.246 10.237 1.00 . A A . 10 PHE H 1 1 12 2062 1 1 10 PHE HA H -0.050 -4.356 12.359 1.00 . A A . 10 PHE HA 1 1 12 2063 1 1 10 PHE HB2 H 2.717 -4.155 12.092 1.00 . A A . 10 PHE HB2 1 1 12 2064 1 1 10 PHE HB3 H 2.263 -2.698 12.967 1.00 . A A . 10 PHE HB3 1 1 12 2065 1 1 10 PHE HD1 H 0.977 -6.198 13.053 1.00 . A A . 10 PHE HD1 1 1 12 2066 1 1 10 PHE HD2 H 2.741 -2.970 15.193 1.00 . A A . 10 PHE HD2 1 1 12 2067 1 1 10 PHE HE1 H 0.827 -7.502 15.135 1.00 . A A . 10 PHE HE1 1 1 12 2068 1 1 10 PHE HE2 H 2.595 -4.268 17.279 1.00 . A A . 10 PHE HE2 1 1 12 2069 1 1 10 PHE HZ H 1.637 -6.537 17.251 1.00 . A A . 10 PHE HZ 1 1 12 2070 1 1 10 PHE N N 0.862 -4.017 10.538 1.00 . A A . 10 PHE N 1 1 12 2071 1 1 10 PHE O O -0.764 -1.967 12.918 1.00 . A A . 10 PHE O 1 1 12 2072 1 1 11 . C C -0.207 0.479 9.628 1.00 . A A . 11 PH8 C 1 1 12 2073 1 1 11 . CA C -0.078 -0.015 11.066 1.00 . A A . 11 PH8 CA 1 1 12 2074 1 1 11 . CB C 0.850 0.911 11.855 1.00 . A A . 11 PH8 CB 1 1 12 2075 1 1 11 . CD1 C 2.416 0.048 15.943 1.00 . A A . 11 PH8 CD1 1 1 12 2076 1 1 11 . CD2 C 3.471 2.153 15.566 1.00 . A A . 11 PH8 CD2 1 1 12 2077 1 1 11 . CE1 C 3.354 -0.252 16.913 1.00 . A A . 11 PH8 CE1 1 1 12 2078 1 1 11 . CE2 C 4.412 1.859 16.535 1.00 . A A . 11 PH8 CE2 1 1 12 2079 1 1 11 . CG C 2.464 1.252 15.260 1.00 . A A . 11 PH8 CG 1 1 12 2080 1 1 11 . CI C 1.147 0.420 13.263 1.00 . A A . 11 PH8 CI 1 1 12 2081 1 1 11 . CJ C 1.443 1.575 14.206 1.00 . A A . 11 PH8 CJ 1 1 12 2082 1 1 11 . CZ C 4.353 0.655 17.209 1.00 . A A . 11 PH8 CZ 1 1 12 2083 1 1 11 . HA H -1.054 -0.010 11.526 1.00 . A A . 11 PH8 HA 1 1 12 2084 1 1 11 . HB H 1.786 1.002 11.324 1.00 . A A . 11 PH8 HB 1 1 12 2085 1 1 11 . HBA H 0.391 1.886 11.926 1.00 . A A . 11 PH8 HBA 1 1 12 2086 1 1 11 . HD1 H 1.636 -0.662 15.712 1.00 . A A . 11 PH8 HD1 1 1 12 2087 1 1 11 . HD2 H 3.518 3.095 15.040 1.00 . A A . 11 PH8 HD2 1 1 12 2088 1 1 11 . HE1 H 3.306 -1.194 17.439 1.00 . A A . 11 PH8 HE1 1 1 12 2089 1 1 11 . HE2 H 5.192 2.570 16.765 1.00 . A A . 11 PH8 HE2 1 1 12 2090 1 1 11 . HI H 0.290 -0.123 13.632 1.00 . A A . 11 PH8 HI 1 1 12 2091 1 1 11 . HIA H 2.005 -0.235 13.231 1.00 . A A . 11 PH8 HIA 1 1 12 2092 1 1 11 . HJ H 0.527 1.860 14.702 1.00 . A A . 11 PH8 HJ 1 1 12 2093 1 1 11 . HJA H 1.811 2.409 13.626 1.00 . A A . 11 PH8 HJA 1 1 12 2094 1 1 11 . HN H 1.064 -1.672 10.413 1.00 . A A . 11 PH8 HN 1 1 12 2095 1 1 11 . HZ H 5.088 0.423 17.967 1.00 . A A . 11 PH8 HZ 1 1 12 2096 1 1 11 . N N 0.425 -1.383 11.098 1.00 . A A . 11 PH8 N 1 1 12 2097 1 1 11 . O O -0.120 1.678 9.363 1.00 . A A . 11 PH8 O 1 1 12 2098 1 1 12 NH2 HN1 H -0.472 -1.383 8.980 1.00 . A A . 12 NH2 HN1 1 1 12 2099 1 1 12 NH2 HN2 H -0.494 -0.157 7.764 1.00 . A A . 12 NH2 HN2 1 1 12 2100 1 1 12 NH2 N N -0.412 -0.447 8.697 1.00 . A A . 12 NH2 N 1 1 13 2101 1 1 1 HIS C C 9.603 -8.000 0.652 1.00 . A A . 1 HIS C 1 1 13 2102 1 1 1 HIS CA C 8.445 -8.082 -0.337 1.00 . A A . 1 HIS CA 1 1 13 2103 1 1 1 HIS CB C 8.094 -6.687 -0.856 1.00 . A A . 1 HIS CB 1 1 13 2104 1 1 1 HIS CD2 C 10.309 -6.616 -2.205 1.00 . A A . 1 HIS CD2 1 1 13 2105 1 1 1 HIS CE1 C 10.111 -4.599 -3.041 1.00 . A A . 1 HIS CE1 1 1 13 2106 1 1 1 HIS CG C 9.140 -6.102 -1.754 1.00 . A A . 1 HIS CG 1 1 13 2107 1 1 1 HIS H1 H 6.745 -7.948 0.864 1.00 . A A . 1 HIS H1 1 1 13 2108 1 1 1 HIS H2 H 7.506 -9.457 0.920 1.00 . A A . 1 HIS H2 1 1 13 2109 1 1 1 HIS H3 H 6.586 -9.024 -0.432 1.00 . A A . 1 HIS H3 1 1 13 2110 1 1 1 HIS HA H 8.735 -8.708 -1.168 1.00 . A A . 1 HIS HA 1 1 13 2111 1 1 1 HIS HB2 H 7.171 -6.739 -1.414 1.00 . A A . 1 HIS HB2 1 1 13 2112 1 1 1 HIS HB3 H 7.965 -6.020 -0.016 1.00 . A A . 1 HIS HB3 1 1 13 2113 1 1 1 HIS HD1 H 8.309 -4.207 -2.154 1.00 . A A . 1 HIS HD1 1 1 13 2114 1 1 1 HIS HD2 H 10.708 -7.595 -1.980 1.00 . A A . 1 HIS HD2 1 1 13 2115 1 1 1 HIS HE1 H 10.309 -3.689 -3.587 1.00 . A A . 1 HIS HE1 1 1 13 2116 1 1 1 HIS HE2 H 11.705 -5.785 -3.536 1.00 . A A . 1 HIS HE2 1 1 13 2117 1 1 1 HIS N N 7.236 -8.669 0.298 1.00 . A A . 1 HIS N 1 1 13 2118 1 1 1 HIS ND1 N 9.046 -4.837 -2.295 1.00 . A A . 1 HIS ND1 1 1 13 2119 1 1 1 HIS NE2 N 10.892 -5.662 -3.002 1.00 . A A . 1 HIS NE2 1 1 13 2120 1 1 1 HIS O O 10.762 -8.189 0.283 1.00 . A A . 1 HIS O 1 1 13 2121 1 1 2 ABA C C 9.617 -7.309 4.297 1.00 . A A . 2 AIB C 1 1 13 2122 1 1 2 ABA CA C 10.297 -7.608 2.960 1.00 . A A . 2 AIB CA 1 1 13 2123 1 1 2 ABA H H 8.339 -7.577 2.143 1.00 . A A . 2 AIB H 1 1 13 2124 1 1 2 ABA N N 9.281 -7.717 1.911 1.00 . A A . 2 AIB N 1 1 13 2125 1 1 2 ABA O O 8.392 -7.354 4.406 1.00 . A A . 2 AIB O 1 1 13 2126 1 1 3 GLU C C 9.022 -5.449 6.612 1.00 . A A . 3 GLU C 1 1 13 2127 1 1 3 GLU CA C 9.905 -6.696 6.637 1.00 . A A . 3 GLU CA 1 1 13 2128 1 1 3 GLU CB C 11.058 -6.496 7.622 1.00 . A A . 3 GLU CB 1 1 13 2129 1 1 3 GLU CD C 13.300 -5.700 6.771 1.00 . A A . 3 GLU CD 1 1 13 2130 1 1 3 GLU CG C 11.936 -5.298 7.297 1.00 . A A . 3 GLU CG 1 1 13 2131 1 1 3 GLU H H 11.392 -6.984 5.158 1.00 . A A . 3 GLU H 1 1 13 2132 1 1 3 GLU HA H 9.310 -7.536 6.961 1.00 . A A . 3 GLU HA 1 1 13 2133 1 1 3 GLU HB2 H 10.649 -6.357 8.613 1.00 . A A . 3 GLU HB2 1 1 13 2134 1 1 3 GLU HB3 H 11.677 -7.381 7.619 1.00 . A A . 3 GLU HB3 1 1 13 2135 1 1 3 GLU HG2 H 11.441 -4.698 6.548 1.00 . A A . 3 GLU HG2 1 1 13 2136 1 1 3 GLU HG3 H 12.070 -4.713 8.195 1.00 . A A . 3 GLU HG3 1 1 13 2137 1 1 3 GLU N N 10.424 -7.003 5.308 1.00 . A A . 3 GLU N 1 1 13 2138 1 1 3 GLU O O 8.240 -5.216 7.534 1.00 . A A . 3 GLU O 1 1 13 2139 1 1 3 GLU OE1 O 13.794 -6.778 7.163 1.00 . A A . 3 GLU OE1 1 1 13 2140 1 1 3 GLU OE2 O 13.875 -4.936 5.967 1.00 . A A . 3 GLU OE2 1 1 13 2141 1 1 4 GLY C C 6.884 -3.671 5.687 1.00 . A A . 4 GLY C 1 1 13 2142 1 1 4 GLY CA C 8.362 -3.436 5.439 1.00 . A A . 4 GLY CA 1 1 13 2143 1 1 4 GLY H H 9.794 -4.881 4.853 1.00 . A A . 4 GLY H 1 1 13 2144 1 1 4 GLY HA2 H 8.724 -2.714 6.156 1.00 . A A . 4 GLY HA2 1 1 13 2145 1 1 4 GLY HA3 H 8.488 -3.032 4.445 1.00 . A A . 4 GLY HA3 1 1 13 2146 1 1 4 GLY N N 9.153 -4.649 5.557 1.00 . A A . 4 GLY N 1 1 13 2147 1 1 4 GLY O O 6.232 -2.888 6.379 1.00 . A A . 4 GLY O 1 1 13 2148 1 1 5 LYS C C 4.601 -5.272 6.763 1.00 . A A . 5 LYS C 1 1 13 2149 1 1 5 LYS CA C 4.942 -5.080 5.290 1.00 . A A . 5 LYS CA 1 1 13 2150 1 1 5 LYS CB C 4.589 -6.347 4.509 1.00 . A A . 5 LYS CB 1 1 13 2151 1 1 5 LYS CD C 2.915 -8.088 5.226 1.00 . A A . 5 LYS CD 1 1 13 2152 1 1 5 LYS CE C 3.404 -8.119 6.667 1.00 . A A . 5 LYS CE 1 1 13 2153 1 1 5 LYS CG C 3.116 -6.719 4.594 1.00 . A A . 5 LYS CG 1 1 13 2154 1 1 5 LYS H H 6.921 -5.338 4.582 1.00 . A A . 5 LYS H 1 1 13 2155 1 1 5 LYS HA H 4.361 -4.257 4.903 1.00 . A A . 5 LYS HA 1 1 13 2156 1 1 5 LYS HB2 H 4.842 -6.198 3.470 1.00 . A A . 5 LYS HB2 1 1 13 2157 1 1 5 LYS HB3 H 5.170 -7.170 4.898 1.00 . A A . 5 LYS HB3 1 1 13 2158 1 1 5 LYS HD2 H 1.863 -8.330 5.210 1.00 . A A . 5 LYS HD2 1 1 13 2159 1 1 5 LYS HD3 H 3.464 -8.821 4.653 1.00 . A A . 5 LYS HD3 1 1 13 2160 1 1 5 LYS HE2 H 3.359 -9.136 7.026 1.00 . A A . 5 LYS HE2 1 1 13 2161 1 1 5 LYS HE3 H 4.427 -7.775 6.692 1.00 . A A . 5 LYS HE3 1 1 13 2162 1 1 5 LYS HG2 H 2.603 -5.981 5.192 1.00 . A A . 5 LYS HG2 1 1 13 2163 1 1 5 LYS HG3 H 2.700 -6.729 3.597 1.00 . A A . 5 LYS HG3 1 1 13 2164 1 1 5 LYS HZ1 H 3.069 -6.635 8.119 1.00 . A A . 5 LYS HZ1 1 1 13 2165 1 1 5 LYS N N 6.352 -4.751 5.122 1.00 . A A . 5 LYS N 1 1 13 2166 1 1 5 LYS NZ N 2.597 -7.273 7.543 1.00 . A A . 5 LYS NZ 1 1 13 2167 1 1 5 LYS O O 3.509 -4.916 7.206 1.00 . A A . 5 LYS O 1 1 13 2168 1 1 6 PHE C C 4.644 -4.918 9.623 1.00 . A A . 6 PHE C 1 1 13 2169 1 1 6 PHE CA C 5.353 -6.088 8.945 1.00 . A A . 6 PHE CA 1 1 13 2170 1 1 6 PHE CB C 6.702 -6.339 9.621 1.00 . A A . 6 PHE CB 1 1 13 2171 1 1 6 PHE CD1 C 5.776 -8.167 11.071 1.00 . A A . 6 PHE CD1 1 1 13 2172 1 1 6 PHE CD2 C 7.301 -6.612 12.043 1.00 . A A . 6 PHE CD2 1 1 13 2173 1 1 6 PHE CE1 C 5.672 -8.827 12.281 1.00 . A A . 6 PHE CE1 1 1 13 2174 1 1 6 PHE CE2 C 7.201 -7.268 13.256 1.00 . A A . 6 PHE CE2 1 1 13 2175 1 1 6 PHE CG C 6.590 -7.054 10.938 1.00 . A A . 6 PHE CG 1 1 13 2176 1 1 6 PHE CZ C 6.385 -8.376 13.375 1.00 . A A . 6 PHE CZ 1 1 13 2177 1 1 6 PHE H H 6.390 -6.101 7.098 1.00 . A A . 6 PHE H 1 1 13 2178 1 1 6 PHE HA H 4.741 -6.972 9.048 1.00 . A A . 6 PHE HA 1 1 13 2179 1 1 6 PHE HB2 H 7.317 -6.941 8.969 1.00 . A A . 6 PHE HB2 1 1 13 2180 1 1 6 PHE HB3 H 7.190 -5.392 9.796 1.00 . A A . 6 PHE HB3 1 1 13 2181 1 1 6 PHE HD1 H 5.218 -8.521 10.216 1.00 . A A . 6 PHE HD1 1 1 13 2182 1 1 6 PHE HD2 H 7.938 -5.746 11.951 1.00 . A A . 6 PHE HD2 1 1 13 2183 1 1 6 PHE HE1 H 5.033 -9.693 12.372 1.00 . A A . 6 PHE HE1 1 1 13 2184 1 1 6 PHE HE2 H 7.759 -6.914 14.109 1.00 . A A . 6 PHE HE2 1 1 13 2185 1 1 6 PHE HZ H 6.305 -8.890 14.321 1.00 . A A . 6 PHE HZ 1 1 13 2186 1 1 6 PHE N N 5.543 -5.840 7.515 1.00 . A A . 6 PHE N 1 1 13 2187 1 1 6 PHE O O 3.550 -5.072 10.165 1.00 . A A . 6 PHE O 1 1 13 2188 1 1 7 THR C C 3.584 -1.979 9.324 1.00 . A A . 7 THR C 1 1 13 2189 1 1 7 THR CA C 4.702 -2.555 10.187 1.00 . A A . 7 THR CA 1 1 13 2190 1 1 7 THR CB C 5.774 -1.471 10.409 1.00 . A A . 7 THR CB 1 1 13 2191 1 1 7 THR CG2 C 5.313 -0.454 11.443 1.00 . A A . 7 THR CG2 1 1 13 2192 1 1 7 THR H H 6.142 -3.690 9.131 1.00 . A A . 7 THR H 1 1 13 2193 1 1 7 THR HA H 4.295 -2.832 11.148 1.00 . A A . 7 THR HA 1 1 13 2194 1 1 7 THR HB H 5.944 -0.958 9.473 1.00 . A A . 7 THR HB 1 1 13 2195 1 1 7 THR HG1 H 7.638 -2.050 10.124 1.00 . A A . 7 THR HG1 1 1 13 2196 1 1 7 THR HG21 H 4.323 -0.714 11.789 1.00 . A A . 7 THR HG21 1 1 13 2197 1 1 7 THR HG22 H 5.291 0.529 10.996 1.00 . A A . 7 THR HG22 1 1 13 2198 1 1 7 THR HG23 H 5.998 -0.455 12.278 1.00 . A A . 7 THR HG23 1 1 13 2199 1 1 7 THR N N 5.274 -3.750 9.582 1.00 . A A . 7 THR N 1 1 13 2200 1 1 7 THR O O 2.710 -1.266 9.819 1.00 . A A . 7 THR O 1 1 13 2201 1 1 7 THR OG1 O 6.999 -2.074 10.840 1.00 . A A . 7 THR OG1 1 1 13 2202 1 1 8 SER C C 1.201 -2.197 7.557 1.00 . A A . 8 SER C 1 1 13 2203 1 1 8 SER CA C 2.603 -1.802 7.101 1.00 . A A . 8 SER CA 1 1 13 2204 1 1 8 SER CB C 2.866 -2.347 5.696 1.00 . A A . 8 SER CB 1 1 13 2205 1 1 8 SER H H 4.337 -2.862 7.693 1.00 . A A . 8 SER H 1 1 13 2206 1 1 8 SER HA H 2.669 -0.725 7.076 1.00 . A A . 8 SER HA 1 1 13 2207 1 1 8 SER HB2 H 3.931 -2.396 5.525 1.00 . A A . 8 SER HB2 1 1 13 2208 1 1 8 SER HB3 H 2.443 -3.338 5.612 1.00 . A A . 8 SER HB3 1 1 13 2209 1 1 8 SER HG H 2.844 -0.749 4.563 1.00 . A A . 8 SER HG 1 1 13 2210 1 1 8 SER N N 3.615 -2.291 8.031 1.00 . A A . 8 SER N 1 1 13 2211 1 1 8 SER O O 0.314 -1.350 7.672 1.00 . A A . 8 SER O 1 1 13 2212 1 1 8 SER OG O 2.284 -1.516 4.708 1.00 . A A . 8 SER OG 1 1 13 2213 1 1 9 GLU C C -0.483 -3.774 9.751 1.00 . A A . 9 GLU C 1 1 13 2214 1 1 9 GLU CA C -0.290 -3.992 8.253 1.00 . A A . 9 GLU CA 1 1 13 2215 1 1 9 GLU CB C -0.432 -5.478 7.913 1.00 . A A . 9 GLU CB 1 1 13 2216 1 1 9 GLU CD C 1.270 -7.320 7.602 1.00 . A A . 9 GLU CD 1 1 13 2217 1 1 9 GLU CG C 0.613 -6.361 8.576 1.00 . A A . 9 GLU CG 1 1 13 2218 1 1 9 GLU H H 1.751 -4.116 7.702 1.00 . A A . 9 GLU H 1 1 13 2219 1 1 9 GLU HA H -1.052 -3.440 7.725 1.00 . A A . 9 GLU HA 1 1 13 2220 1 1 9 GLU HB2 H -1.408 -5.815 8.229 1.00 . A A . 9 GLU HB2 1 1 13 2221 1 1 9 GLU HB3 H -0.349 -5.599 6.843 1.00 . A A . 9 GLU HB3 1 1 13 2222 1 1 9 GLU HG2 H 1.377 -5.731 9.006 1.00 . A A . 9 GLU HG2 1 1 13 2223 1 1 9 GLU HG3 H 0.138 -6.934 9.358 1.00 . A A . 9 GLU HG3 1 1 13 2224 1 1 9 GLU N N 1.006 -3.488 7.813 1.00 . A A . 9 GLU N 1 1 13 2225 1 1 9 GLU O O -1.597 -3.520 10.210 1.00 . A A . 9 GLU O 1 1 13 2226 1 1 9 GLU OE1 O 0.757 -8.409 7.344 1.00 . A A . 9 GLU OE1 1 1 13 2227 1 1 10 PHE C C -0.035 -2.300 12.283 1.00 . A A . 10 PHE C 1 1 13 2228 1 1 10 PHE CA C 0.546 -3.671 11.955 1.00 . A A . 10 PHE CA 1 1 13 2229 1 1 10 PHE CB C 1.941 -3.809 12.571 1.00 . A A . 10 PHE CB 1 1 13 2230 1 1 10 PHE CD1 C 1.621 -6.262 13.000 1.00 . A A . 10 PHE CD1 1 1 13 2231 1 1 10 PHE CD2 C 2.734 -4.957 14.657 1.00 . A A . 10 PHE CD2 1 1 13 2232 1 1 10 PHE CE1 C 1.768 -7.390 13.785 1.00 . A A . 10 PHE CE1 1 1 13 2233 1 1 10 PHE CE2 C 2.884 -6.082 15.446 1.00 . A A . 10 PHE CE2 1 1 13 2234 1 1 10 PHE CG C 2.102 -5.034 13.427 1.00 . A A . 10 PHE CG 1 1 13 2235 1 1 10 PHE CZ C 2.400 -7.299 15.010 1.00 . A A . 10 PHE CZ 1 1 13 2236 1 1 10 PHE H H 1.468 -4.067 10.087 1.00 . A A . 10 PHE H 1 1 13 2237 1 1 10 PHE HA H -0.099 -4.432 12.367 1.00 . A A . 10 PHE HA 1 1 13 2238 1 1 10 PHE HB2 H 2.673 -3.859 11.781 1.00 . A A . 10 PHE HB2 1 1 13 2239 1 1 10 PHE HB3 H 2.143 -2.945 13.188 1.00 . A A . 10 PHE HB3 1 1 13 2240 1 1 10 PHE HD1 H 1.127 -6.333 12.042 1.00 . A A . 10 PHE HD1 1 1 13 2241 1 1 10 PHE HD2 H 3.113 -4.005 14.999 1.00 . A A . 10 PHE HD2 1 1 13 2242 1 1 10 PHE HE1 H 1.388 -8.340 13.441 1.00 . A A . 10 PHE HE1 1 1 13 2243 1 1 10 PHE HE2 H 3.379 -6.008 16.404 1.00 . A A . 10 PHE HE2 1 1 13 2244 1 1 10 PHE HZ H 2.516 -8.180 15.625 1.00 . A A . 10 PHE HZ 1 1 13 2245 1 1 10 PHE N N 0.606 -3.867 10.509 1.00 . A A . 10 PHE N 1 1 13 2246 1 1 10 PHE O O -1.090 -2.193 12.909 1.00 . A A . 10 PHE O 1 1 13 2247 1 1 11 . C C -0.303 0.736 10.790 1.00 . A A . 11 PH8 C 1 1 13 2248 1 1 11 . CA C 0.216 0.112 12.082 1.00 . A A . 11 PH8 CA 1 1 13 2249 1 1 11 . CB C 1.363 0.954 12.645 1.00 . A A . 11 PH8 CB 1 1 13 2250 1 1 11 . CD1 C 0.375 -0.259 15.801 1.00 . A A . 11 PH8 CD1 1 1 13 2251 1 1 11 . CD2 C 0.298 1.701 17.158 1.00 . A A . 11 PH8 CD2 1 1 13 2252 1 1 11 . CE1 C -0.409 -0.930 16.721 1.00 . A A . 11 PH8 CE1 1 1 13 2253 1 1 11 . CE2 C -0.486 1.035 18.081 1.00 . A A . 11 PH8 CE2 1 1 13 2254 1 1 11 . CG C 0.737 1.062 16.009 1.00 . A A . 11 PH8 CG 1 1 13 2255 1 1 11 . CI C 0.913 1.992 13.661 1.00 . A A . 11 PH8 CI 1 1 13 2256 1 1 11 . CJ C 1.589 1.788 15.008 1.00 . A A . 11 PH8 CJ 1 1 13 2257 1 1 11 . CZ C -0.840 -0.283 17.862 1.00 . A A . 11 PH8 CZ 1 1 13 2258 1 1 11 . HA H -0.587 0.083 12.803 1.00 . A A . 11 PH8 HA 1 1 13 2259 1 1 11 . HB H 2.075 0.296 13.122 1.00 . A A . 11 PH8 HB 1 1 13 2260 1 1 11 . HBA H 1.850 1.467 11.830 1.00 . A A . 11 PH8 HBA 1 1 13 2261 1 1 11 . HD1 H 0.712 -0.767 14.910 1.00 . A A . 11 PH8 HD1 1 1 13 2262 1 1 11 . HD2 H 0.574 2.730 17.330 1.00 . A A . 11 PH8 HD2 1 1 13 2263 1 1 11 . HE1 H -0.684 -1.960 16.547 1.00 . A A . 11 PH8 HE1 1 1 13 2264 1 1 11 . HE2 H -0.821 1.544 18.973 1.00 . A A . 11 PH8 HE2 1 1 13 2265 1 1 11 . HI H 1.162 2.975 13.290 1.00 . A A . 11 PH8 HI 1 1 13 2266 1 1 11 . HIA H -0.156 1.914 13.791 1.00 . A A . 11 PH8 HIA 1 1 13 2267 1 1 11 . HJ H 1.839 2.755 15.419 1.00 . A A . 11 PH8 HJ 1 1 13 2268 1 1 11 . HJA H 2.493 1.217 14.859 1.00 . A A . 11 PH8 HJA 1 1 13 2269 1 1 11 . HN H 1.489 -1.409 11.349 1.00 . A A . 11 PH8 HN 1 1 13 2270 1 1 11 . HZ H -1.452 -0.805 18.582 1.00 . A A . 11 PH8 HZ 1 1 13 2271 1 1 11 . N N 0.659 -1.256 11.847 1.00 . A A . 11 PH8 N 1 1 13 2272 1 1 11 . O O -1.171 1.608 10.813 1.00 . A A . 11 PH8 O 1 1 13 2273 1 1 12 NH2 HN1 H 0.912 -0.419 9.718 1.00 . A A . 12 NH2 HN1 1 1 13 2274 1 1 12 NH2 HN2 H -0.099 0.647 8.811 1.00 . A A . 12 NH2 HN2 1 1 13 2275 1 1 12 NH2 N N 0.224 0.276 9.659 1.00 . A A . 12 NH2 N 1 1 14 2276 1 1 1 HIS C C 9.972 -9.064 2.060 1.00 . A A . 1 HIS C 1 1 14 2277 1 1 1 HIS CA C 11.321 -9.457 1.466 1.00 . A A . 1 HIS CA 1 1 14 2278 1 1 1 HIS CB C 12.310 -8.297 1.588 1.00 . A A . 1 HIS CB 1 1 14 2279 1 1 1 HIS CD2 C 14.323 -9.649 0.667 1.00 . A A . 1 HIS CD2 1 1 14 2280 1 1 1 HIS CE1 C 15.359 -8.018 -0.367 1.00 . A A . 1 HIS CE1 1 1 14 2281 1 1 1 HIS CG C 13.592 -8.524 0.848 1.00 . A A . 1 HIS CG 1 1 14 2282 1 1 1 HIS H1 H 12.000 -10.402 -0.265 1.00 . A A . 1 HIS H1 1 1 14 2283 1 1 1 HIS H2 H 11.162 -8.961 -0.554 1.00 . A A . 1 HIS H2 1 1 14 2284 1 1 1 HIS H3 H 10.315 -10.360 -0.123 1.00 . A A . 1 HIS H3 1 1 14 2285 1 1 1 HIS HA H 11.706 -10.311 2.003 1.00 . A A . 1 HIS HA 1 1 14 2286 1 1 1 HIS HB2 H 11.854 -7.401 1.194 1.00 . A A . 1 HIS HB2 1 1 14 2287 1 1 1 HIS HB3 H 12.549 -8.144 2.630 1.00 . A A . 1 HIS HB3 1 1 14 2288 1 1 1 HIS HD1 H 13.991 -6.581 0.134 1.00 . A A . 1 HIS HD1 1 1 14 2289 1 1 1 HIS HD2 H 14.089 -10.634 1.048 1.00 . A A . 1 HIS HD2 1 1 14 2290 1 1 1 HIS HE1 H 16.082 -7.464 -0.948 1.00 . A A . 1 HIS HE1 1 1 14 2291 1 1 1 HIS HE2 H 16.081 -9.933 -0.446 1.00 . A A . 1 HIS HE2 1 1 14 2292 1 1 1 HIS N N 11.190 -9.820 0.031 1.00 . A A . 1 HIS N 1 1 14 2293 1 1 1 HIS ND1 N 14.269 -7.519 0.188 1.00 . A A . 1 HIS ND1 1 1 14 2294 1 1 1 HIS NE2 N 15.415 -9.307 -0.091 1.00 . A A . 1 HIS NE2 1 1 14 2295 1 1 1 HIS O O 9.444 -9.748 2.936 1.00 . A A . 1 HIS O 1 1 14 2296 1 1 2 ABA C C 8.214 -7.186 3.561 1.00 . A A . 2 AIB C 1 1 14 2297 1 1 2 ABA CA C 8.127 -7.466 2.059 1.00 . A A . 2 AIB CA 1 1 14 2298 1 1 2 ABA H H 9.889 -7.453 0.878 1.00 . A A . 2 AIB H 1 1 14 2299 1 1 2 ABA N N 9.419 -7.956 1.576 1.00 . A A . 2 AIB N 1 1 14 2300 1 1 2 ABA O O 7.219 -7.288 4.279 1.00 . A A . 2 AIB O 1 1 14 2301 1 1 3 GLU C C 8.899 -5.258 5.844 1.00 . A A . 3 GLU C 1 1 14 2302 1 1 3 GLU CA C 9.621 -6.539 5.439 1.00 . A A . 3 GLU CA 1 1 14 2303 1 1 3 GLU CB C 11.117 -6.410 5.734 1.00 . A A . 3 GLU CB 1 1 14 2304 1 1 3 GLU CD C 13.390 -7.511 5.693 1.00 . A A . 3 GLU CD 1 1 14 2305 1 1 3 GLU CG C 11.900 -7.686 5.472 1.00 . A A . 3 GLU CG 1 1 14 2306 1 1 3 GLU H H 10.164 -6.767 3.406 1.00 . A A . 3 GLU H 1 1 14 2307 1 1 3 GLU HA H 9.220 -7.362 6.012 1.00 . A A . 3 GLU HA 1 1 14 2308 1 1 3 GLU HB2 H 11.528 -5.628 5.114 1.00 . A A . 3 GLU HB2 1 1 14 2309 1 1 3 GLU HB3 H 11.246 -6.141 6.772 1.00 . A A . 3 GLU HB3 1 1 14 2310 1 1 3 GLU HG2 H 11.542 -8.456 6.138 1.00 . A A . 3 GLU HG2 1 1 14 2311 1 1 3 GLU HG3 H 11.736 -7.991 4.449 1.00 . A A . 3 GLU HG3 1 1 14 2312 1 1 3 GLU N N 9.408 -6.833 4.026 1.00 . A A . 3 GLU N 1 1 14 2313 1 1 3 GLU O O 8.506 -5.095 6.999 1.00 . A A . 3 GLU O 1 1 14 2314 1 1 3 GLU OE1 O 13.931 -6.462 5.285 1.00 . A A . 3 GLU OE1 1 1 14 2315 1 1 3 GLU OE2 O 14.015 -8.422 6.274 1.00 . A A . 3 GLU OE2 1 1 14 2316 1 1 4 GLY C C 6.583 -3.288 5.486 1.00 . A A . 4 GLY C 1 1 14 2317 1 1 4 GLY CA C 8.053 -3.099 5.166 1.00 . A A . 4 GLY CA 1 1 14 2318 1 1 4 GLY H H 9.061 -4.536 3.984 1.00 . A A . 4 GLY H 1 1 14 2319 1 1 4 GLY HA2 H 8.534 -2.624 6.008 1.00 . A A . 4 GLY HA2 1 1 14 2320 1 1 4 GLY HA3 H 8.142 -2.455 4.304 1.00 . A A . 4 GLY HA3 1 1 14 2321 1 1 4 GLY N N 8.727 -4.352 4.887 1.00 . A A . 4 GLY N 1 1 14 2322 1 1 4 GLY O O 6.004 -2.519 6.253 1.00 . A A . 4 GLY O 1 1 14 2323 1 1 5 LYS C C 4.316 -4.964 6.585 1.00 . A A . 5 LYS C 1 1 14 2324 1 1 5 LYS CA C 4.566 -4.600 5.126 1.00 . A A . 5 LYS CA 1 1 14 2325 1 1 5 LYS CB C 4.094 -5.741 4.222 1.00 . A A . 5 LYS CB 1 1 14 2326 1 1 5 LYS CD C 2.408 -7.509 4.839 1.00 . A A . 5 LYS CD 1 1 14 2327 1 1 5 LYS CE C 2.952 -7.741 6.240 1.00 . A A . 5 LYS CE 1 1 14 2328 1 1 5 LYS CG C 2.617 -6.072 4.385 1.00 . A A . 5 LYS CG 1 1 14 2329 1 1 5 LYS H H 6.491 -4.894 4.296 1.00 . A A . 5 LYS H 1 1 14 2330 1 1 5 LYS HA H 4.005 -3.709 4.889 1.00 . A A . 5 LYS HA 1 1 14 2331 1 1 5 LYS HB2 H 4.267 -5.464 3.192 1.00 . A A . 5 LYS HB2 1 1 14 2332 1 1 5 LYS HB3 H 4.668 -6.626 4.449 1.00 . A A . 5 LYS HB3 1 1 14 2333 1 1 5 LYS HD2 H 1.350 -7.726 4.835 1.00 . A A . 5 LYS HD2 1 1 14 2334 1 1 5 LYS HD3 H 2.915 -8.170 4.151 1.00 . A A . 5 LYS HD3 1 1 14 2335 1 1 5 LYS HE2 H 2.842 -8.787 6.487 1.00 . A A . 5 LYS HE2 1 1 14 2336 1 1 5 LYS HE3 H 3.999 -7.478 6.253 1.00 . A A . 5 LYS HE3 1 1 14 2337 1 1 5 LYS HG2 H 2.190 -5.409 5.122 1.00 . A A . 5 LYS HG2 1 1 14 2338 1 1 5 LYS HG3 H 2.119 -5.927 3.438 1.00 . A A . 5 LYS HG3 1 1 14 2339 1 1 5 LYS HZ1 H 2.794 -6.408 7.859 1.00 . A A . 5 LYS HZ1 1 1 14 2340 1 1 5 LYS N N 5.978 -4.315 4.897 1.00 . A A . 5 LYS N 1 1 14 2341 1 1 5 LYS NZ N 2.251 -6.943 7.244 1.00 . A A . 5 LYS NZ 1 1 14 2342 1 1 5 LYS O O 3.284 -4.607 7.153 1.00 . A A . 5 LYS O 1 1 14 2343 1 1 6 PHE C C 4.584 -4.998 9.459 1.00 . A A . 6 PHE C 1 1 14 2344 1 1 6 PHE CA C 5.157 -6.107 8.578 1.00 . A A . 6 PHE CA 1 1 14 2345 1 1 6 PHE CB C 6.528 -6.540 9.104 1.00 . A A . 6 PHE CB 1 1 14 2346 1 1 6 PHE CD1 C 6.599 -8.991 8.567 1.00 . A A . 6 PHE CD1 1 1 14 2347 1 1 6 PHE CD2 C 6.610 -8.332 10.859 1.00 . A A . 6 PHE CD2 1 1 14 2348 1 1 6 PHE CE1 C 6.647 -10.319 8.945 1.00 . A A . 6 PHE CE1 1 1 14 2349 1 1 6 PHE CE2 C 6.658 -9.659 11.243 1.00 . A A . 6 PHE CE2 1 1 14 2350 1 1 6 PHE CG C 6.580 -7.983 9.519 1.00 . A A . 6 PHE CG 1 1 14 2351 1 1 6 PHE CZ C 6.677 -10.654 10.285 1.00 . A A . 6 PHE CZ 1 1 14 2352 1 1 6 PHE H H 6.062 -5.935 6.670 1.00 . A A . 6 PHE H 1 1 14 2353 1 1 6 PHE HA H 4.490 -6.955 8.611 1.00 . A A . 6 PHE HA 1 1 14 2354 1 1 6 PHE HB2 H 7.266 -6.391 8.331 1.00 . A A . 6 PHE HB2 1 1 14 2355 1 1 6 PHE HB3 H 6.786 -5.938 9.963 1.00 . A A . 6 PHE HB3 1 1 14 2356 1 1 6 PHE HD1 H 6.577 -8.730 7.519 1.00 . A A . 6 PHE HD1 1 1 14 2357 1 1 6 PHE HD2 H 6.596 -7.555 11.609 1.00 . A A . 6 PHE HD2 1 1 14 2358 1 1 6 PHE HE1 H 6.661 -11.095 8.194 1.00 . A A . 6 PHE HE1 1 1 14 2359 1 1 6 PHE HE2 H 6.681 -9.918 12.292 1.00 . A A . 6 PHE HE2 1 1 14 2360 1 1 6 PHE HZ H 6.714 -11.691 10.583 1.00 . A A . 6 PHE HZ 1 1 14 2361 1 1 6 PHE N N 5.266 -5.681 7.182 1.00 . A A . 6 PHE N 1 1 14 2362 1 1 6 PHE O O 3.532 -5.164 10.076 1.00 . A A . 6 PHE O 1 1 14 2363 1 1 7 THR C C 3.734 -1.951 9.618 1.00 . A A . 7 THR C 1 1 14 2364 1 1 7 THR CA C 4.840 -2.737 10.317 1.00 . A A . 7 THR CA 1 1 14 2365 1 1 7 THR CB C 6.007 -1.782 10.632 1.00 . A A . 7 THR CB 1 1 14 2366 1 1 7 THR CG2 C 5.713 -0.962 11.879 1.00 . A A . 7 THR CG2 1 1 14 2367 1 1 7 THR H H 6.112 -3.795 8.997 1.00 . A A . 7 THR H 1 1 14 2368 1 1 7 THR HA H 4.458 -3.123 11.251 1.00 . A A . 7 THR HA 1 1 14 2369 1 1 7 THR HB H 6.136 -1.108 9.798 1.00 . A A . 7 THR HB 1 1 14 2370 1 1 7 THR HG1 H 7.887 -2.209 10.213 1.00 . A A . 7 THR HG1 1 1 14 2371 1 1 7 THR HG21 H 6.573 -0.356 12.122 1.00 . A A . 7 THR HG21 1 1 14 2372 1 1 7 THR HG22 H 5.496 -1.626 12.703 1.00 . A A . 7 THR HG22 1 1 14 2373 1 1 7 THR HG23 H 4.861 -0.323 11.697 1.00 . A A . 7 THR HG23 1 1 14 2374 1 1 7 THR N N 5.282 -3.869 9.511 1.00 . A A . 7 THR N 1 1 14 2375 1 1 7 THR O O 2.951 -1.257 10.266 1.00 . A A . 7 THR O 1 1 14 2376 1 1 7 THR OG1 O 7.215 -2.529 10.820 1.00 . A A . 7 THR OG1 1 1 14 2377 1 1 8 SER C C 1.255 -1.747 7.945 1.00 . A A . 8 SER C 1 1 14 2378 1 1 8 SER CA C 2.666 -1.354 7.513 1.00 . A A . 8 SER CA 1 1 14 2379 1 1 8 SER CB C 2.857 -1.638 6.020 1.00 . A A . 8 SER CB 1 1 14 2380 1 1 8 SER H H 4.328 -2.626 7.831 1.00 . A A . 8 SER H 1 1 14 2381 1 1 8 SER HA H 2.798 -0.297 7.686 1.00 . A A . 8 SER HA 1 1 14 2382 1 1 8 SER HB2 H 2.545 -0.776 5.450 1.00 . A A . 8 SER HB2 1 1 14 2383 1 1 8 SER HB3 H 3.901 -1.838 5.826 1.00 . A A . 8 SER HB3 1 1 14 2384 1 1 8 SER HG H 2.350 -3.528 6.118 1.00 . A A . 8 SER HG 1 1 14 2385 1 1 8 SER N N 3.675 -2.061 8.294 1.00 . A A . 8 SER N 1 1 14 2386 1 1 8 SER O O 0.379 -0.891 8.088 1.00 . A A . 8 SER O 1 1 14 2387 1 1 8 SER OG O 2.093 -2.758 5.606 1.00 . A A . 8 SER OG 1 1 14 2388 1 1 9 GLU C C -0.386 -3.614 10.078 1.00 . A A . 9 GLU C 1 1 14 2389 1 1 9 GLU CA C -0.270 -3.546 8.557 1.00 . A A . 9 GLU CA 1 1 14 2390 1 1 9 GLU CB C -0.531 -4.926 7.948 1.00 . A A . 9 GLU CB 1 1 14 2391 1 1 9 GLU CD C 0.929 -6.904 7.368 1.00 . A A . 9 GLU CD 1 1 14 2392 1 1 9 GLU CG C 0.392 -6.014 8.472 1.00 . A A . 9 GLU CG 1 1 14 2393 1 1 9 GLU H H 1.773 -3.679 8.014 1.00 . A A . 9 GLU H 1 1 14 2394 1 1 9 GLU HA H -1.014 -2.857 8.187 1.00 . A A . 9 GLU HA 1 1 14 2395 1 1 9 GLU HB2 H -1.549 -5.215 8.164 1.00 . A A . 9 GLU HB2 1 1 14 2396 1 1 9 GLU HB3 H -0.406 -4.863 6.877 1.00 . A A . 9 GLU HB3 1 1 14 2397 1 1 9 GLU HG2 H 1.226 -5.549 8.976 1.00 . A A . 9 GLU HG2 1 1 14 2398 1 1 9 GLU HG3 H -0.156 -6.626 9.174 1.00 . A A . 9 GLU HG3 1 1 14 2399 1 1 9 GLU N N 1.038 -3.045 8.148 1.00 . A A . 9 GLU N 1 1 14 2400 1 1 9 GLU O O -1.477 -3.477 10.629 1.00 . A A . 9 GLU O 1 1 14 2401 1 1 9 GLU OE1 O 0.321 -7.916 7.019 1.00 . A A . 9 GLU OE1 1 1 14 2402 1 1 10 PHE C C 0.113 -2.648 12.816 1.00 . A A . 10 PHE C 1 1 14 2403 1 1 10 PHE CA C 0.751 -3.896 12.213 1.00 . A A . 10 PHE CA 1 1 14 2404 1 1 10 PHE CB C 2.184 -4.053 12.731 1.00 . A A . 10 PHE CB 1 1 14 2405 1 1 10 PHE CD1 C 1.465 -5.598 14.573 1.00 . A A . 10 PHE CD1 1 1 14 2406 1 1 10 PHE CD2 C 3.489 -6.085 13.409 1.00 . A A . 10 PHE CD2 1 1 14 2407 1 1 10 PHE CE1 C 1.647 -6.718 15.363 1.00 . A A . 10 PHE CE1 1 1 14 2408 1 1 10 PHE CE2 C 3.676 -7.206 14.197 1.00 . A A . 10 PHE CE2 1 1 14 2409 1 1 10 PHE CG C 2.383 -5.270 13.588 1.00 . A A . 10 PHE CG 1 1 14 2410 1 1 10 PHE CZ C 2.753 -7.522 15.175 1.00 . A A . 10 PHE CZ 1 1 14 2411 1 1 10 PHE H H 1.586 -3.918 10.263 1.00 . A A . 10 PHE H 1 1 14 2412 1 1 10 PHE HA H 0.173 -4.760 12.505 1.00 . A A . 10 PHE HA 1 1 14 2413 1 1 10 PHE HB2 H 2.856 -4.126 11.891 1.00 . A A . 10 PHE HB2 1 1 14 2414 1 1 10 PHE HB3 H 2.445 -3.185 13.320 1.00 . A A . 10 PHE HB3 1 1 14 2415 1 1 10 PHE HD1 H 0.599 -4.970 14.721 1.00 . A A . 10 PHE HD1 1 1 14 2416 1 1 10 PHE HD2 H 4.211 -5.838 12.645 1.00 . A A . 10 PHE HD2 1 1 14 2417 1 1 10 PHE HE1 H 0.924 -6.963 16.127 1.00 . A A . 10 PHE HE1 1 1 14 2418 1 1 10 PHE HE2 H 4.542 -7.833 14.047 1.00 . A A . 10 PHE HE2 1 1 14 2419 1 1 10 PHE HZ H 2.897 -8.397 15.791 1.00 . A A . 10 PHE HZ 1 1 14 2420 1 1 10 PHE N N 0.743 -3.819 10.754 1.00 . A A . 10 PHE N 1 1 14 2421 1 1 10 PHE O O -0.536 -2.708 13.860 1.00 . A A . 10 PHE O 1 1 14 2422 1 1 11 . C C -0.329 0.731 11.424 1.00 . A A . 11 PH8 C 1 1 14 2423 1 1 11 . CA C -0.253 -0.251 12.588 1.00 . A A . 11 PH8 CA 1 1 14 2424 1 1 11 . CB C 0.596 0.335 13.718 1.00 . A A . 11 PH8 CB 1 1 14 2425 1 1 11 . CD1 C 2.002 1.452 16.379 1.00 . A A . 11 PH8 CD1 1 1 14 2426 1 1 11 . CD2 C 4.257 1.908 15.751 1.00 . A A . 11 PH8 CD2 1 1 14 2427 1 1 11 . CE1 C 2.401 1.271 17.690 1.00 . A A . 11 PH8 CE1 1 1 14 2428 1 1 11 . CE2 C 4.662 1.728 17.060 1.00 . A A . 11 PH8 CE2 1 1 14 2429 1 1 11 . CG C 2.925 1.772 15.396 1.00 . A A . 11 PH8 CG 1 1 14 2430 1 1 11 . CI C 2.011 0.694 13.295 1.00 . A A . 11 PH8 CI 1 1 14 2431 1 1 11 . CJ C 2.489 1.969 13.972 1.00 . A A . 11 PH8 CJ 1 1 14 2432 1 1 11 . CZ C 3.732 1.409 18.031 1.00 . A A . 11 PH8 CZ 1 1 14 2433 1 1 11 . HA H -1.252 -0.435 12.955 1.00 . A A . 11 PH8 HA 1 1 14 2434 1 1 11 . HB H 0.115 1.230 14.086 1.00 . A A . 11 PH8 HB 1 1 14 2435 1 1 11 . HBA H 0.655 -0.386 14.519 1.00 . A A . 11 PH8 HBA 1 1 14 2436 1 1 11 . HD1 H 0.961 1.344 16.114 1.00 . A A . 11 PH8 HD1 1 1 14 2437 1 1 11 . HD2 H 4.985 2.157 14.993 1.00 . A A . 11 PH8 HD2 1 1 14 2438 1 1 11 . HE1 H 1.672 1.023 18.447 1.00 . A A . 11 PH8 HE1 1 1 14 2439 1 1 11 . HE2 H 5.703 1.837 17.324 1.00 . A A . 11 PH8 HE2 1 1 14 2440 1 1 11 . HI H 2.673 -0.115 13.564 1.00 . A A . 11 PH8 HI 1 1 14 2441 1 1 11 . HIA H 2.031 0.838 12.224 1.00 . A A . 11 PH8 HIA 1 1 14 2442 1 1 11 . HJ H 1.684 2.688 13.963 1.00 . A A . 11 PH8 HJ 1 1 14 2443 1 1 11 . HJA H 3.327 2.362 13.416 1.00 . A A . 11 PH8 HJA 1 1 14 2444 1 1 11 . HN H 0.826 -1.545 11.313 1.00 . A A . 11 PH8 HN 1 1 14 2445 1 1 11 . HZ H 4.046 1.269 19.055 1.00 . A A . 11 PH8 HZ 1 1 14 2446 1 1 11 . N N 0.302 -1.521 12.141 1.00 . A A . 11 PH8 N 1 1 14 2447 1 1 11 . O O -0.207 1.942 11.610 1.00 . A A . 11 PH8 O 1 1 14 2448 1 1 12 NH2 HN1 H -0.602 -0.772 10.153 1.00 . A A . 12 NH2 HN1 1 1 14 2449 1 1 12 NH2 HN2 H -0.542 0.801 9.446 1.00 . A A . 12 NH2 HN2 1 1 14 2450 1 1 12 NH2 N N -0.511 0.201 10.220 1.00 . A A . 12 NH2 N 1 1 15 2451 1 1 1 HIS C C 9.167 -9.200 1.758 1.00 . A A . 1 HIS C 1 1 15 2452 1 1 1 HIS CA C 10.131 -10.265 1.245 1.00 . A A . 1 HIS CA 1 1 15 2453 1 1 1 HIS CB C 10.195 -11.435 2.229 1.00 . A A . 1 HIS CB 1 1 15 2454 1 1 1 HIS CD2 C 9.492 -13.796 1.417 1.00 . A A . 1 HIS CD2 1 1 15 2455 1 1 1 HIS CE1 C 7.324 -13.587 1.662 1.00 . A A . 1 HIS CE1 1 1 15 2456 1 1 1 HIS CG C 9.255 -12.550 1.893 1.00 . A A . 1 HIS CG 1 1 15 2457 1 1 1 HIS H1 H 12.198 -10.485 1.070 1.00 . A A . 1 HIS H1 1 1 15 2458 1 1 1 HIS H2 H 11.724 -9.066 1.858 1.00 . A A . 1 HIS H2 1 1 15 2459 1 1 1 HIS H3 H 11.567 -9.193 0.178 1.00 . A A . 1 HIS H3 1 1 15 2460 1 1 1 HIS HA H 9.784 -10.624 0.288 1.00 . A A . 1 HIS HA 1 1 15 2461 1 1 1 HIS HB2 H 11.197 -11.836 2.236 1.00 . A A . 1 HIS HB2 1 1 15 2462 1 1 1 HIS HB3 H 9.948 -11.078 3.218 1.00 . A A . 1 HIS HB3 1 1 15 2463 1 1 1 HIS HD1 H 7.401 -11.666 2.361 1.00 . A A . 1 HIS HD1 1 1 15 2464 1 1 1 HIS HD2 H 10.459 -14.220 1.185 1.00 . A A . 1 HIS HD2 1 1 15 2465 1 1 1 HIS HE1 H 6.265 -13.798 1.665 1.00 . A A . 1 HIS HE1 1 1 15 2466 1 1 1 HIS HE2 H 8.142 -15.361 1.049 1.00 . A A . 1 HIS HE2 1 1 15 2467 1 1 1 HIS N N 11.500 -9.714 1.076 1.00 . A A . 1 HIS N 1 1 15 2468 1 1 1 HIS ND1 N 7.887 -12.451 2.034 1.00 . A A . 1 HIS ND1 1 1 15 2469 1 1 1 HIS NE2 N 8.276 -14.419 1.282 1.00 . A A . 1 HIS NE2 1 1 15 2470 1 1 1 HIS O O 8.188 -9.509 2.437 1.00 . A A . 1 HIS O 1 1 15 2471 1 1 2 ABA C C 8.587 -6.760 3.384 1.00 . A A . 2 AIB C 1 1 15 2472 1 1 2 ABA CA C 8.606 -6.826 1.855 1.00 . A A . 2 AIB CA 1 1 15 2473 1 1 2 ABA H H 10.244 -7.760 0.883 1.00 . A A . 2 AIB H 1 1 15 2474 1 1 2 ABA N N 9.450 -7.943 1.427 1.00 . A A . 2 AIB N 1 1 15 2475 1 1 2 ABA O O 7.569 -7.040 4.017 1.00 . A A . 2 AIB O 1 1 15 2476 1 1 3 GLU C C 9.000 -5.121 5.948 1.00 . A A . 3 GLU C 1 1 15 2477 1 1 3 GLU CA C 9.835 -6.282 5.418 1.00 . A A . 3 GLU CA 1 1 15 2478 1 1 3 GLU CB C 11.299 -6.097 5.824 1.00 . A A . 3 GLU CB 1 1 15 2479 1 1 3 GLU CD C 12.904 -6.428 7.746 1.00 . A A . 3 GLU CD 1 1 15 2480 1 1 3 GLU CG C 11.508 -6.012 7.327 1.00 . A A . 3 GLU CG 1 1 15 2481 1 1 3 GLU H H 10.499 -6.175 3.411 1.00 . A A . 3 GLU H 1 1 15 2482 1 1 3 GLU HA H 9.466 -7.201 5.847 1.00 . A A . 3 GLU HA 1 1 15 2483 1 1 3 GLU HB2 H 11.873 -6.932 5.448 1.00 . A A . 3 GLU HB2 1 1 15 2484 1 1 3 GLU HB3 H 11.672 -5.186 5.378 1.00 . A A . 3 GLU HB3 1 1 15 2485 1 1 3 GLU HG2 H 11.342 -4.993 7.644 1.00 . A A . 3 GLU HG2 1 1 15 2486 1 1 3 GLU HG3 H 10.793 -6.660 7.813 1.00 . A A . 3 GLU HG3 1 1 15 2487 1 1 3 GLU N N 9.721 -6.386 3.968 1.00 . A A . 3 GLU N 1 1 15 2488 1 1 3 GLU O O 8.496 -5.167 7.070 1.00 . A A . 3 GLU O 1 1 15 2489 1 1 3 GLU OE1 O 13.878 -5.924 7.148 1.00 . A A . 3 GLU OE1 1 1 15 2490 1 1 3 GLU OE2 O 13.024 -7.258 8.672 1.00 . A A . 3 GLU OE2 1 1 15 2491 1 1 4 GLY C C 6.615 -3.243 5.736 1.00 . A A . 4 GLY C 1 1 15 2492 1 1 4 GLY CA C 8.084 -2.922 5.536 1.00 . A A . 4 GLY CA 1 1 15 2493 1 1 4 GLY H H 9.283 -4.100 4.250 1.00 . A A . 4 GLY H 1 1 15 2494 1 1 4 GLY HA2 H 8.486 -2.540 6.462 1.00 . A A . 4 GLY HA2 1 1 15 2495 1 1 4 GLY HA3 H 8.174 -2.161 4.776 1.00 . A A . 4 GLY HA3 1 1 15 2496 1 1 4 GLY N N 8.858 -4.081 5.133 1.00 . A A . 4 GLY N 1 1 15 2497 1 1 4 GLY O O 5.927 -2.571 6.504 1.00 . A A . 4 GLY O 1 1 15 2498 1 1 5 LYS C C 4.384 -5.051 6.585 1.00 . A A . 5 LYS C 1 1 15 2499 1 1 5 LYS CA C 4.736 -4.674 5.151 1.00 . A A . 5 LYS CA 1 1 15 2500 1 1 5 LYS CB C 4.449 -5.856 4.222 1.00 . A A . 5 LYS CB 1 1 15 2501 1 1 5 LYS CD C 2.843 -7.679 4.891 1.00 . A A . 5 LYS CD 1 1 15 2502 1 1 5 LYS CE C 2.626 -7.578 6.395 1.00 . A A . 5 LYS CE 1 1 15 2503 1 1 5 LYS CG C 2.996 -6.308 4.246 1.00 . A A . 5 LYS CG 1 1 15 2504 1 1 5 LYS H H 6.731 -4.767 4.447 1.00 . A A . 5 LYS H 1 1 15 2505 1 1 5 LYS HA H 4.125 -3.836 4.850 1.00 . A A . 5 LYS HA 1 1 15 2506 1 1 5 LYS HB2 H 4.699 -5.573 3.210 1.00 . A A . 5 LYS HB2 1 1 15 2507 1 1 5 LYS HB3 H 5.069 -6.690 4.517 1.00 . A A . 5 LYS HB3 1 1 15 2508 1 1 5 LYS HD2 H 1.994 -8.180 4.450 1.00 . A A . 5 LYS HD2 1 1 15 2509 1 1 5 LYS HD3 H 3.738 -8.255 4.703 1.00 . A A . 5 LYS HD3 1 1 15 2510 1 1 5 LYS HE2 H 2.263 -8.529 6.756 1.00 . A A . 5 LYS HE2 1 1 15 2511 1 1 5 LYS HE3 H 3.569 -7.354 6.865 1.00 . A A . 5 LYS HE3 1 1 15 2512 1 1 5 LYS HG2 H 2.416 -5.591 4.806 1.00 . A A . 5 LYS HG2 1 1 15 2513 1 1 5 LYS HG3 H 2.629 -6.355 3.231 1.00 . A A . 5 LYS HG3 1 1 15 2514 1 1 5 LYS HZ1 H 1.933 -5.860 7.401 1.00 . A A . 5 LYS HZ1 1 1 15 2515 1 1 5 LYS N N 6.134 -4.270 5.044 1.00 . A A . 5 LYS N 1 1 15 2516 1 1 5 LYS NZ N 1.659 -6.540 6.745 1.00 . A A . 5 LYS NZ 1 1 15 2517 1 1 5 LYS O O 3.341 -4.649 7.102 1.00 . A A . 5 LYS O 1 1 15 2518 1 1 6 PHE C C 4.474 -5.164 9.466 1.00 . A A . 6 PHE C 1 1 15 2519 1 1 6 PHE CA C 5.047 -6.278 8.596 1.00 . A A . 6 PHE CA 1 1 15 2520 1 1 6 PHE CB C 6.360 -6.781 9.197 1.00 . A A . 6 PHE CB 1 1 15 2521 1 1 6 PHE CD1 C 5.857 -7.706 11.474 1.00 . A A . 6 PHE CD1 1 1 15 2522 1 1 6 PHE CD2 C 6.339 -9.237 9.711 1.00 . A A . 6 PHE CD2 1 1 15 2523 1 1 6 PHE CE1 C 5.691 -8.763 12.350 1.00 . A A . 6 PHE CE1 1 1 15 2524 1 1 6 PHE CE2 C 6.175 -10.298 10.582 1.00 . A A . 6 PHE CE2 1 1 15 2525 1 1 6 PHE CG C 6.182 -7.931 10.146 1.00 . A A . 6 PHE CG 1 1 15 2526 1 1 6 PHE CZ C 5.851 -10.060 11.903 1.00 . A A . 6 PHE CZ 1 1 15 2527 1 1 6 PHE H H 6.067 -6.119 6.746 1.00 . A A . 6 PHE H 1 1 15 2528 1 1 6 PHE HA H 4.341 -7.095 8.573 1.00 . A A . 6 PHE HA 1 1 15 2529 1 1 6 PHE HB2 H 7.012 -7.106 8.400 1.00 . A A . 6 PHE HB2 1 1 15 2530 1 1 6 PHE HB3 H 6.834 -5.974 9.736 1.00 . A A . 6 PHE HB3 1 1 15 2531 1 1 6 PHE HD1 H 5.732 -6.692 11.825 1.00 . A A . 6 PHE HD1 1 1 15 2532 1 1 6 PHE HD2 H 6.593 -9.424 8.678 1.00 . A A . 6 PHE HD2 1 1 15 2533 1 1 6 PHE HE1 H 5.438 -8.574 13.383 1.00 . A A . 6 PHE HE1 1 1 15 2534 1 1 6 PHE HE2 H 6.299 -11.311 10.229 1.00 . A A . 6 PHE HE2 1 1 15 2535 1 1 6 PHE HZ H 5.722 -10.887 12.586 1.00 . A A . 6 PHE HZ 1 1 15 2536 1 1 6 PHE N N 5.258 -5.831 7.219 1.00 . A A . 6 PHE N 1 1 15 2537 1 1 6 PHE O O 3.522 -5.377 10.219 1.00 . A A . 6 PHE O 1 1 15 2538 1 1 7 THR C C 3.467 -2.102 9.436 1.00 . A A . 7 THR C 1 1 15 2539 1 1 7 THR CA C 4.596 -2.841 10.142 1.00 . A A . 7 THR CA 1 1 15 2540 1 1 7 THR CB C 5.740 -1.854 10.437 1.00 . A A . 7 THR CB 1 1 15 2541 1 1 7 THR CG2 C 5.337 -0.868 11.522 1.00 . A A . 7 THR CG2 1 1 15 2542 1 1 7 THR H H 5.809 -3.864 8.744 1.00 . A A . 7 THR H 1 1 15 2543 1 1 7 THR HA H 4.224 -3.222 11.079 1.00 . A A . 7 THR HA 1 1 15 2544 1 1 7 THR HB H 5.962 -1.302 9.534 1.00 . A A . 7 THR HB 1 1 15 2545 1 1 7 THR HG1 H 6.759 -2.967 11.707 1.00 . A A . 7 THR HG1 1 1 15 2546 1 1 7 THR HG21 H 4.996 -1.410 12.392 1.00 . A A . 7 THR HG21 1 1 15 2547 1 1 7 THR HG22 H 4.541 -0.236 11.157 1.00 . A A . 7 THR HG22 1 1 15 2548 1 1 7 THR HG23 H 6.187 -0.258 11.788 1.00 . A A . 7 THR HG23 1 1 15 2549 1 1 7 THR N N 5.056 -3.977 9.359 1.00 . A A . 7 THR N 1 1 15 2550 1 1 7 THR O O 2.598 -1.517 10.083 1.00 . A A . 7 THR O 1 1 15 2551 1 1 7 THR OG1 O 6.911 -2.570 10.847 1.00 . A A . 7 THR OG1 1 1 15 2552 1 1 8 SER C C 1.057 -1.916 7.786 1.00 . A A . 8 SER C 1 1 15 2553 1 1 8 SER CA C 2.441 -1.472 7.325 1.00 . A A . 8 SER CA 1 1 15 2554 1 1 8 SER CB C 2.620 -1.781 5.838 1.00 . A A . 8 SER CB 1 1 15 2555 1 1 8 SER H H 4.190 -2.623 7.646 1.00 . A A . 8 SER H 1 1 15 2556 1 1 8 SER HA H 2.538 -0.408 7.479 1.00 . A A . 8 SER HA 1 1 15 2557 1 1 8 SER HB2 H 2.075 -1.055 5.255 1.00 . A A . 8 SER HB2 1 1 15 2558 1 1 8 SER HB3 H 3.669 -1.733 5.586 1.00 . A A . 8 SER HB3 1 1 15 2559 1 1 8 SER HG H 1.919 -3.117 4.588 1.00 . A A . 8 SER HG 1 1 15 2560 1 1 8 SER N N 3.476 -2.136 8.108 1.00 . A A . 8 SER N 1 1 15 2561 1 1 8 SER O O 0.103 -1.137 7.768 1.00 . A A . 8 SER O 1 1 15 2562 1 1 8 SER OG O 2.133 -3.074 5.523 1.00 . A A . 8 SER OG 1 1 15 2563 1 1 9 GLU C C -0.388 -3.663 10.195 1.00 . A A . 9 GLU C 1 1 15 2564 1 1 9 GLU CA C -0.297 -3.734 8.676 1.00 . A A . 9 GLU CA 1 1 15 2565 1 1 9 GLU CB C -0.441 -5.181 8.207 1.00 . A A . 9 GLU CB 1 1 15 2566 1 1 9 GLU CD C 0.442 -6.471 6.221 1.00 . A A . 9 GLU CD 1 1 15 2567 1 1 9 GLU CG C -0.428 -5.327 6.696 1.00 . A A . 9 GLU CG 1 1 15 2568 1 1 9 GLU H H 1.762 -3.741 8.196 1.00 . A A . 9 GLU H 1 1 15 2569 1 1 9 GLU HA H -1.097 -3.147 8.255 1.00 . A A . 9 GLU HA 1 1 15 2570 1 1 9 GLU HB2 H 0.374 -5.762 8.613 1.00 . A A . 9 GLU HB2 1 1 15 2571 1 1 9 GLU HB3 H -1.375 -5.577 8.578 1.00 . A A . 9 GLU HB3 1 1 15 2572 1 1 9 GLU HG2 H -1.435 -5.502 6.357 1.00 . A A . 9 GLU HG2 1 1 15 2573 1 1 9 GLU HG3 H -0.058 -4.409 6.262 1.00 . A A . 9 GLU HG3 1 1 15 2574 1 1 9 GLU N N 0.962 -3.174 8.204 1.00 . A A . 9 GLU N 1 1 15 2575 1 1 9 GLU O O -1.444 -3.359 10.750 1.00 . A A . 9 GLU O 1 1 15 2576 1 1 9 GLU OE1 O -0.004 -7.333 5.464 1.00 . A A . 9 GLU OE1 1 1 15 2577 1 1 10 PHE C C 0.310 -2.535 12.833 1.00 . A A . 10 PHE C 1 1 15 2578 1 1 10 PHE CA C 0.767 -3.899 12.323 1.00 . A A . 10 PHE CA 1 1 15 2579 1 1 10 PHE CB C 2.180 -4.198 12.827 1.00 . A A . 10 PHE CB 1 1 15 2580 1 1 10 PHE CD1 C 1.595 -5.171 15.065 1.00 . A A . 10 PHE CD1 1 1 15 2581 1 1 10 PHE CD2 C 3.086 -3.311 14.993 1.00 . A A . 10 PHE CD2 1 1 15 2582 1 1 10 PHE CE1 C 1.693 -5.200 16.444 1.00 . A A . 10 PHE CE1 1 1 15 2583 1 1 10 PHE CE2 C 3.188 -3.336 16.371 1.00 . A A . 10 PHE CE2 1 1 15 2584 1 1 10 PHE CG C 2.289 -4.228 14.325 1.00 . A A . 10 PHE CG 1 1 15 2585 1 1 10 PHE CZ C 2.491 -4.281 17.097 1.00 . A A . 10 PHE CZ 1 1 15 2586 1 1 10 PHE H H 1.539 -4.171 10.366 1.00 . A A . 10 PHE H 1 1 15 2587 1 1 10 PHE HA H 0.092 -4.655 12.696 1.00 . A A . 10 PHE HA 1 1 15 2588 1 1 10 PHE HB2 H 2.493 -5.161 12.453 1.00 . A A . 10 PHE HB2 1 1 15 2589 1 1 10 PHE HB3 H 2.854 -3.439 12.460 1.00 . A A . 10 PHE HB3 1 1 15 2590 1 1 10 PHE HD1 H 0.971 -5.890 14.555 1.00 . A A . 10 PHE HD1 1 1 15 2591 1 1 10 PHE HD2 H 3.631 -2.571 14.426 1.00 . A A . 10 PHE HD2 1 1 15 2592 1 1 10 PHE HE1 H 1.147 -5.941 17.009 1.00 . A A . 10 PHE HE1 1 1 15 2593 1 1 10 PHE HE2 H 3.813 -2.616 16.879 1.00 . A A . 10 PHE HE2 1 1 15 2594 1 1 10 PHE HZ H 2.569 -4.302 18.174 1.00 . A A . 10 PHE HZ 1 1 15 2595 1 1 10 PHE N N 0.726 -3.940 10.865 1.00 . A A . 10 PHE N 1 1 15 2596 1 1 10 PHE O O -0.244 -2.421 13.926 1.00 . A A . 10 PHE O 1 1 15 2597 1 1 11 . C C 0.106 0.738 11.138 1.00 . A A . 11 PH8 C 1 1 15 2598 1 1 11 . CA C 0.156 -0.146 12.380 1.00 . A A . 11 PH8 CA 1 1 15 2599 1 1 11 . CB C 1.133 0.439 13.401 1.00 . A A . 11 PH8 CB 1 1 15 2600 1 1 11 . CD1 C 3.232 3.829 12.559 1.00 . A A . 11 PH8 CD1 1 1 15 2601 1 1 11 . CD2 C 5.191 2.511 12.223 1.00 . A A . 11 PH8 CD2 1 1 15 2602 1 1 11 . CE1 C 3.763 4.826 11.763 1.00 . A A . 11 PH8 CE1 1 1 15 2603 1 1 11 . CE2 C 5.727 3.505 11.427 1.00 . A A . 11 PH8 CE2 1 1 15 2604 1 1 11 . CG C 3.939 2.661 12.797 1.00 . A A . 11 PH8 CG 1 1 15 2605 1 1 11 . CI C 2.561 0.540 12.890 1.00 . A A . 11 PH8 CI 1 1 15 2606 1 1 11 . CJ C 3.360 1.579 13.662 1.00 . A A . 11 PH8 CJ 1 1 15 2607 1 1 11 . CZ C 5.012 4.665 11.197 1.00 . A A . 11 PH8 CZ 1 1 15 2608 1 1 11 . HA H -0.830 -0.187 12.819 1.00 . A A . 11 PH8 HA 1 1 15 2609 1 1 11 . HB H 0.800 1.430 13.674 1.00 . A A . 11 PH8 HB 1 1 15 2610 1 1 11 . HBA H 1.132 -0.186 14.282 1.00 . A A . 11 PH8 HBA 1 1 15 2611 1 1 11 . HD1 H 2.255 3.956 13.002 1.00 . A A . 11 PH8 HD1 1 1 15 2612 1 1 11 . HD2 H 5.751 1.605 12.403 1.00 . A A . 11 PH8 HD2 1 1 15 2613 1 1 11 . HE1 H 3.201 5.732 11.585 1.00 . A A . 11 PH8 HE1 1 1 15 2614 1 1 11 . HE2 H 6.704 3.376 10.985 1.00 . A A . 11 PH8 HE2 1 1 15 2615 1 1 11 . HI H 3.040 -0.421 12.998 1.00 . A A . 11 PH8 HI 1 1 15 2616 1 1 11 . HIA H 2.540 0.819 11.847 1.00 . A A . 11 PH8 HIA 1 1 15 2617 1 1 11 . HJ H 4.174 1.083 14.169 1.00 . A A . 11 PH8 HJ 1 1 15 2618 1 1 11 . HJA H 2.713 2.043 14.392 1.00 . A A . 11 PH8 HJA 1 1 15 2619 1 1 11 . HN H 0.986 -1.665 11.167 1.00 . A A . 11 PH8 HN 1 1 15 2620 1 1 11 . HZ H 5.429 5.443 10.575 1.00 . A A . 11 PH8 HZ 1 1 15 2621 1 1 11 . N N 0.544 -1.506 12.026 1.00 . A A . 11 PH8 N 1 1 15 2622 1 1 11 . O O 0.353 1.942 11.209 1.00 . A A . 11 PH8 O 1 1 15 2623 1 1 12 NH2 HN1 H -0.394 -0.827 10.015 1.00 . A A . 12 NH2 HN1 1 1 15 2624 1 1 12 NH2 HN2 H -0.241 0.676 9.178 1.00 . A A . 12 NH2 HN2 1 1 15 2625 1 1 12 NH2 N N -0.209 0.135 9.995 1.00 . A A . 12 NH2 N 1 1 16 2626 1 1 1 HIS C C 9.354 -9.017 1.504 1.00 . A A . 1 HIS C 1 1 16 2627 1 1 1 HIS CA C 9.859 -10.450 1.638 1.00 . A A . 1 HIS CA 1 1 16 2628 1 1 1 HIS CB C 11.316 -10.543 1.179 1.00 . A A . 1 HIS CB 1 1 16 2629 1 1 1 HIS CD2 C 12.677 -11.202 3.287 1.00 . A A . 1 HIS CD2 1 1 16 2630 1 1 1 HIS CE1 C 13.308 -13.202 2.648 1.00 . A A . 1 HIS CE1 1 1 16 2631 1 1 1 HIS CG C 12.164 -11.415 2.052 1.00 . A A . 1 HIS CG 1 1 16 2632 1 1 1 HIS H1 H 8.047 -11.093 0.828 1.00 . A A . 1 HIS H1 1 1 16 2633 1 1 1 HIS H2 H 9.115 -12.350 1.203 1.00 . A A . 1 HIS H2 1 1 16 2634 1 1 1 HIS H3 H 9.386 -11.391 -0.163 1.00 . A A . 1 HIS H3 1 1 16 2635 1 1 1 HIS HA H 9.793 -10.752 2.673 1.00 . A A . 1 HIS HA 1 1 16 2636 1 1 1 HIS HB2 H 11.346 -10.946 0.178 1.00 . A A . 1 HIS HB2 1 1 16 2637 1 1 1 HIS HB3 H 11.750 -9.553 1.176 1.00 . A A . 1 HIS HB3 1 1 16 2638 1 1 1 HIS HD1 H 12.366 -13.123 0.833 1.00 . A A . 1 HIS HD1 1 1 16 2639 1 1 1 HIS HD2 H 12.554 -10.311 3.887 1.00 . A A . 1 HIS HD2 1 1 16 2640 1 1 1 HIS HE1 H 13.766 -14.180 2.635 1.00 . A A . 1 HIS HE1 1 1 16 2641 1 1 1 HIS HE2 H 13.790 -12.497 4.509 1.00 . A A . 1 HIS HE2 1 1 16 2642 1 1 1 HIS N N 9.045 -11.386 0.819 1.00 . A A . 1 HIS N 1 1 16 2643 1 1 1 HIS ND1 N 12.578 -12.677 1.680 1.00 . A A . 1 HIS ND1 1 1 16 2644 1 1 1 HIS NE2 N 13.384 -12.327 3.634 1.00 . A A . 1 HIS NE2 1 1 16 2645 1 1 1 HIS O O 9.054 -8.555 0.403 1.00 . A A . 1 HIS O 1 1 16 2646 1 1 2 ABA C C 8.787 -6.412 4.084 1.00 . A A . 2 AIB C 1 1 16 2647 1 1 2 ABA CA C 8.793 -6.932 2.644 1.00 . A A . 2 AIB CA 1 1 16 2648 1 1 2 ABA H H 9.517 -8.744 3.478 1.00 . A A . 2 AIB H 1 1 16 2649 1 1 2 ABA N N 9.263 -8.319 2.632 1.00 . A A . 2 AIB N 1 1 16 2650 1 1 2 ABA O O 7.735 -6.320 4.717 1.00 . A A . 2 AIB O 1 1 16 2651 1 1 3 GLU C C 9.174 -4.377 6.190 1.00 . A A . 3 GLU C 1 1 16 2652 1 1 3 GLU CA C 10.102 -5.566 5.954 1.00 . A A . 3 GLU CA 1 1 16 2653 1 1 3 GLU CB C 11.551 -5.157 6.227 1.00 . A A . 3 GLU CB 1 1 16 2654 1 1 3 GLU CD C 11.988 -5.756 8.641 1.00 . A A . 3 GLU CD 1 1 16 2655 1 1 3 GLU CG C 11.784 -4.639 7.637 1.00 . A A . 3 GLU CG 1 1 16 2656 1 1 3 GLU H H 10.772 -6.171 4.039 1.00 . A A . 3 GLU H 1 1 16 2657 1 1 3 GLU HA H 9.829 -6.360 6.633 1.00 . A A . 3 GLU HA 1 1 16 2658 1 1 3 GLU HB2 H 12.190 -6.014 6.072 1.00 . A A . 3 GLU HB2 1 1 16 2659 1 1 3 GLU HB3 H 11.831 -4.381 5.530 1.00 . A A . 3 GLU HB3 1 1 16 2660 1 1 3 GLU HG2 H 12.663 -4.012 7.636 1.00 . A A . 3 GLU HG2 1 1 16 2661 1 1 3 GLU HG3 H 10.927 -4.055 7.938 1.00 . A A . 3 GLU HG3 1 1 16 2662 1 1 3 GLU N N 9.969 -6.075 4.593 1.00 . A A . 3 GLU N 1 1 16 2663 1 1 3 GLU O O 8.739 -4.131 7.314 1.00 . A A . 3 GLU O 1 1 16 2664 1 1 3 GLU OE1 O 10.984 -6.226 9.218 1.00 . A A . 3 GLU OE1 1 1 16 2665 1 1 3 GLU OE2 O 13.150 -6.159 8.852 1.00 . A A . 3 GLU OE2 1 1 16 2666 1 1 4 GLY C C 6.555 -2.880 5.469 1.00 . A A . 4 GLY C 1 1 16 2667 1 1 4 GLY CA C 8.002 -2.491 5.236 1.00 . A A . 4 GLY CA 1 1 16 2668 1 1 4 GLY H H 9.252 -3.887 4.251 1.00 . A A . 4 GLY H 1 1 16 2669 1 1 4 GLY HA2 H 8.337 -1.880 6.061 1.00 . A A . 4 GLY HA2 1 1 16 2670 1 1 4 GLY HA3 H 8.066 -1.914 4.325 1.00 . A A . 4 GLY HA3 1 1 16 2671 1 1 4 GLY N N 8.876 -3.644 5.122 1.00 . A A . 4 GLY N 1 1 16 2672 1 1 4 GLY O O 5.884 -2.308 6.329 1.00 . A A . 4 GLY O 1 1 16 2673 1 1 5 LYS C C 4.424 -4.818 6.252 1.00 . A A . 5 LYS C 1 1 16 2674 1 1 5 LYS CA C 4.694 -4.313 4.836 1.00 . A A . 5 LYS CA 1 1 16 2675 1 1 5 LYS CB C 4.394 -5.408 3.799 1.00 . A A . 5 LYS CB 1 1 16 2676 1 1 5 LYS CD C 3.314 -7.469 4.764 1.00 . A A . 5 LYS CD 1 1 16 2677 1 1 5 LYS CE C 3.404 -7.950 6.205 1.00 . A A . 5 LYS CE 1 1 16 2678 1 1 5 LYS CG C 4.616 -6.831 4.297 1.00 . A A . 5 LYS CG 1 1 16 2679 1 1 5 LYS H H 6.654 -4.272 4.035 1.00 . A A . 5 LYS H 1 1 16 2680 1 1 5 LYS HA H 4.049 -3.468 4.645 1.00 . A A . 5 LYS HA 1 1 16 2681 1 1 5 LYS HB2 H 3.363 -5.319 3.492 1.00 . A A . 5 LYS HB2 1 1 16 2682 1 1 5 LYS HB3 H 5.028 -5.250 2.939 1.00 . A A . 5 LYS HB3 1 1 16 2683 1 1 5 LYS HD2 H 2.520 -6.741 4.689 1.00 . A A . 5 LYS HD2 1 1 16 2684 1 1 5 LYS HD3 H 3.090 -8.312 4.126 1.00 . A A . 5 LYS HD3 1 1 16 2685 1 1 5 LYS HE2 H 3.113 -8.989 6.242 1.00 . A A . 5 LYS HE2 1 1 16 2686 1 1 5 LYS HE3 H 4.425 -7.851 6.543 1.00 . A A . 5 LYS HE3 1 1 16 2687 1 1 5 LYS HG2 H 5.025 -7.423 3.492 1.00 . A A . 5 LYS HG2 1 1 16 2688 1 1 5 LYS HG3 H 5.315 -6.811 5.121 1.00 . A A . 5 LYS HG3 1 1 16 2689 1 1 5 LYS HZ1 H 2.958 -6.551 7.710 1.00 . A A . 5 LYS HZ1 1 1 16 2690 1 1 5 LYS N N 6.072 -3.854 4.704 1.00 . A A . 5 LYS N 1 1 16 2691 1 1 5 LYS NZ N 2.533 -7.184 7.094 1.00 . A A . 5 LYS NZ 1 1 16 2692 1 1 5 LYS O O 3.296 -4.752 6.741 1.00 . A A . 5 LYS O 1 1 16 2693 1 1 6 PHE C C 4.596 -4.860 9.160 1.00 . A A . 6 PHE C 1 1 16 2694 1 1 6 PHE CA C 5.353 -5.836 8.266 1.00 . A A . 6 PHE CA 1 1 16 2695 1 1 6 PHE CB C 6.741 -6.103 8.851 1.00 . A A . 6 PHE CB 1 1 16 2696 1 1 6 PHE CD1 C 6.038 -7.916 10.437 1.00 . A A . 6 PHE CD1 1 1 16 2697 1 1 6 PHE CD2 C 7.346 -6.111 11.286 1.00 . A A . 6 PHE CD2 1 1 16 2698 1 1 6 PHE CE1 C 6.005 -8.487 11.695 1.00 . A A . 6 PHE CE1 1 1 16 2699 1 1 6 PHE CE2 C 7.316 -6.678 12.546 1.00 . A A . 6 PHE CE2 1 1 16 2700 1 1 6 PHE CG C 6.708 -6.723 10.219 1.00 . A A . 6 PHE CG 1 1 16 2701 1 1 6 PHE CZ C 6.645 -7.868 12.751 1.00 . A A . 6 PHE CZ 1 1 16 2702 1 1 6 PHE H H 6.343 -5.343 6.461 1.00 . A A . 6 PHE H 1 1 16 2703 1 1 6 PHE HA H 4.807 -6.766 8.223 1.00 . A A . 6 PHE HA 1 1 16 2704 1 1 6 PHE HB2 H 7.277 -6.773 8.196 1.00 . A A . 6 PHE HB2 1 1 16 2705 1 1 6 PHE HB3 H 7.281 -5.170 8.921 1.00 . A A . 6 PHE HB3 1 1 16 2706 1 1 6 PHE HD1 H 5.537 -8.401 9.612 1.00 . A A . 6 PHE HD1 1 1 16 2707 1 1 6 PHE HD2 H 7.871 -5.181 11.127 1.00 . A A . 6 PHE HD2 1 1 16 2708 1 1 6 PHE HE1 H 5.479 -9.417 11.852 1.00 . A A . 6 PHE HE1 1 1 16 2709 1 1 6 PHE HE2 H 7.817 -6.191 13.369 1.00 . A A . 6 PHE HE2 1 1 16 2710 1 1 6 PHE HZ H 6.621 -8.313 13.734 1.00 . A A . 6 PHE HZ 1 1 16 2711 1 1 6 PHE N N 5.470 -5.320 6.905 1.00 . A A . 6 PHE N 1 1 16 2712 1 1 6 PHE O O 3.467 -5.125 9.572 1.00 . A A . 6 PHE O 1 1 16 2713 1 1 7 THR C C 3.450 -2.025 9.586 1.00 . A A . 7 THR C 1 1 16 2714 1 1 7 THR CA C 4.616 -2.709 10.296 1.00 . A A . 7 THR CA 1 1 16 2715 1 1 7 THR CB C 5.643 -1.641 10.715 1.00 . A A . 7 THR CB 1 1 16 2716 1 1 7 THR CG2 C 5.071 -0.735 11.795 1.00 . A A . 7 THR CG2 1 1 16 2717 1 1 7 THR H H 6.125 -3.576 9.093 1.00 . A A . 7 THR H 1 1 16 2718 1 1 7 THR HA H 4.248 -3.192 11.189 1.00 . A A . 7 THR HA 1 1 16 2719 1 1 7 THR HB H 5.887 -1.038 9.852 1.00 . A A . 7 THR HB 1 1 16 2720 1 1 7 THR HG1 H 6.603 -2.999 11.777 1.00 . A A . 7 THR HG1 1 1 16 2721 1 1 7 THR HG21 H 4.417 -0.004 11.342 1.00 . A A . 7 THR HG21 1 1 16 2722 1 1 7 THR HG22 H 5.878 -0.229 12.305 1.00 . A A . 7 THR HG22 1 1 16 2723 1 1 7 THR HG23 H 4.513 -1.328 12.504 1.00 . A A . 7 THR HG23 1 1 16 2724 1 1 7 THR N N 5.227 -3.729 9.453 1.00 . A A . 7 THR N 1 1 16 2725 1 1 7 THR O O 2.591 -1.421 10.228 1.00 . A A . 7 THR O 1 1 16 2726 1 1 7 THR OG1 O 6.837 -2.270 11.198 1.00 . A A . 7 THR OG1 1 1 16 2727 1 1 8 SER C C 0.998 -2.064 7.863 1.00 . A A . 8 SER C 1 1 16 2728 1 1 8 SER CA C 2.364 -1.507 7.471 1.00 . A A . 8 SER CA 1 1 16 2729 1 1 8 SER CB C 2.611 -1.737 5.979 1.00 . A A . 8 SER CB 1 1 16 2730 1 1 8 SER H H 4.138 -2.611 7.801 1.00 . A A . 8 SER H 1 1 16 2731 1 1 8 SER HA H 2.376 -0.446 7.669 1.00 . A A . 8 SER HA 1 1 16 2732 1 1 8 SER HB2 H 3.614 -1.423 5.730 1.00 . A A . 8 SER HB2 1 1 16 2733 1 1 8 SER HB3 H 2.497 -2.787 5.755 1.00 . A A . 8 SER HB3 1 1 16 2734 1 1 8 SER HG H 1.035 -1.594 4.825 1.00 . A A . 8 SER HG 1 1 16 2735 1 1 8 SER N N 3.426 -2.120 8.260 1.00 . A A . 8 SER N 1 1 16 2736 1 1 8 SER O O 0.118 -1.322 8.301 1.00 . A A . 8 SER O 1 1 16 2737 1 1 8 SER OG O 1.694 -0.999 5.190 1.00 . A A . 8 SER OG 1 1 16 2738 1 1 9 GLU C C -0.639 -4.090 9.541 1.00 . A A . 9 GLU C 1 1 16 2739 1 1 9 GLU CA C -0.433 -4.029 8.030 1.00 . A A . 9 GLU CA 1 1 16 2740 1 1 9 GLU CB C -0.474 -5.440 7.434 1.00 . A A . 9 GLU CB 1 1 16 2741 1 1 9 GLU CD C 1.210 -7.299 7.110 1.00 . A A . 9 GLU CD 1 1 16 2742 1 1 9 GLU CG C 0.477 -6.420 8.105 1.00 . A A . 9 GLU CG 1 1 16 2743 1 1 9 GLU H H 1.566 -3.910 7.342 1.00 . A A . 9 GLU H 1 1 16 2744 1 1 9 GLU HA H -1.230 -3.445 7.597 1.00 . A A . 9 GLU HA 1 1 16 2745 1 1 9 GLU HB2 H -1.478 -5.828 7.528 1.00 . A A . 9 GLU HB2 1 1 16 2746 1 1 9 GLU HB3 H -0.217 -5.383 6.387 1.00 . A A . 9 GLU HB3 1 1 16 2747 1 1 9 GLU HG2 H 1.207 -5.863 8.672 1.00 . A A . 9 GLU HG2 1 1 16 2748 1 1 9 GLU HG3 H -0.090 -7.052 8.773 1.00 . A A . 9 GLU HG3 1 1 16 2749 1 1 9 GLU N N 0.828 -3.373 7.698 1.00 . A A . 9 GLU N 1 1 16 2750 1 1 9 GLU O O -1.766 -3.990 10.027 1.00 . A A . 9 GLU O 1 1 16 2751 1 1 9 GLU OE1 O 0.591 -8.024 6.331 1.00 . A A . 9 GLU OE1 1 1 16 2752 1 1 10 PHE C C 0.173 -2.927 12.324 1.00 . A A . 10 PHE C 1 1 16 2753 1 1 10 PHE CA C 0.388 -4.316 11.735 1.00 . A A . 10 PHE CA 1 1 16 2754 1 1 10 PHE CB C 1.669 -4.934 12.298 1.00 . A A . 10 PHE CB 1 1 16 2755 1 1 10 PHE CD1 C 1.274 -7.364 11.813 1.00 . A A . 10 PHE CD1 1 1 16 2756 1 1 10 PHE CD2 C 1.577 -6.696 14.082 1.00 . A A . 10 PHE CD2 1 1 16 2757 1 1 10 PHE CE1 C 1.121 -8.677 12.216 1.00 . A A . 10 PHE CE1 1 1 16 2758 1 1 10 PHE CE2 C 1.425 -8.007 14.492 1.00 . A A . 10 PHE CE2 1 1 16 2759 1 1 10 PHE CG C 1.504 -6.360 12.740 1.00 . A A . 10 PHE CG 1 1 16 2760 1 1 10 PHE CZ C 1.197 -8.999 13.558 1.00 . A A . 10 PHE CZ 1 1 16 2761 1 1 10 PHE H H 1.325 -4.317 9.836 1.00 . A A . 10 PHE H 1 1 16 2762 1 1 10 PHE HA H -0.452 -4.941 12.000 1.00 . A A . 10 PHE HA 1 1 16 2763 1 1 10 PHE HB2 H 2.436 -4.910 11.539 1.00 . A A . 10 PHE HB2 1 1 16 2764 1 1 10 PHE HB3 H 1.996 -4.357 13.151 1.00 . A A . 10 PHE HB3 1 1 16 2765 1 1 10 PHE HD1 H 1.216 -7.114 10.764 1.00 . A A . 10 PHE HD1 1 1 16 2766 1 1 10 PHE HD2 H 1.755 -5.921 14.813 1.00 . A A . 10 PHE HD2 1 1 16 2767 1 1 10 PHE HE1 H 0.943 -9.451 11.484 1.00 . A A . 10 PHE HE1 1 1 16 2768 1 1 10 PHE HE2 H 1.484 -8.256 15.541 1.00 . A A . 10 PHE HE2 1 1 16 2769 1 1 10 PHE HZ H 1.077 -10.024 13.876 1.00 . A A . 10 PHE HZ 1 1 16 2770 1 1 10 PHE N N 0.454 -4.248 10.280 1.00 . A A . 10 PHE N 1 1 16 2771 1 1 10 PHE O O -0.919 -2.598 12.786 1.00 . A A . 10 PHE O 1 1 16 2772 1 1 11 . C C 0.949 0.245 11.684 1.00 . A A . 11 PH8 C 1 1 16 2773 1 1 11 . CA C 1.151 -0.756 12.819 1.00 . A A . 11 PH8 CA 1 1 16 2774 1 1 11 . CB C 2.424 -0.418 13.598 1.00 . A A . 11 PH8 CB 1 1 16 2775 1 1 11 . CD1 C 2.567 -2.967 15.622 1.00 . A A . 11 PH8 CD1 1 1 16 2776 1 1 11 . CD2 C 3.046 -1.722 17.599 1.00 . A A . 11 PH8 CD2 1 1 16 2777 1 1 11 . CE1 C 3.394 -3.984 16.059 1.00 . A A . 11 PH8 CE1 1 1 16 2778 1 1 11 . CE2 C 3.874 -2.736 18.041 1.00 . A A . 11 PH8 CE2 1 1 16 2779 1 1 11 . CG C 2.384 -1.825 16.386 1.00 . A A . 11 PH8 CG 1 1 16 2780 1 1 11 . CI C 2.157 0.240 14.942 1.00 . A A . 11 PH8 CI 1 1 16 2781 1 1 11 . CJ C 1.486 -0.721 15.909 1.00 . A A . 11 PH8 CJ 1 1 16 2782 1 1 11 . CZ C 4.048 -3.869 17.270 1.00 . A A . 11 PH8 CZ 1 1 16 2783 1 1 11 . HA H 0.304 -0.701 13.486 1.00 . A A . 11 PH8 HA 1 1 16 2784 1 1 11 . HB H 2.977 -1.329 13.772 1.00 . A A . 11 PH8 HB 1 1 16 2785 1 1 11 . HBA H 3.030 0.253 13.006 1.00 . A A . 11 PH8 HBA 1 1 16 2786 1 1 11 . HD1 H 2.056 -3.058 14.675 1.00 . A A . 11 PH8 HD1 1 1 16 2787 1 1 11 . HD2 H 2.911 -0.836 18.203 1.00 . A A . 11 PH8 HD2 1 1 16 2788 1 1 11 . HE1 H 3.527 -4.869 15.455 1.00 . A A . 11 PH8 HE1 1 1 16 2789 1 1 11 . HE2 H 4.384 -2.643 18.989 1.00 . A A . 11 PH8 HE2 1 1 16 2790 1 1 11 . HI H 3.096 0.565 15.365 1.00 . A A . 11 PH8 HI 1 1 16 2791 1 1 11 . HIA H 1.513 1.094 14.792 1.00 . A A . 11 PH8 HIA 1 1 16 2792 1 1 11 . HJ H 0.635 -1.169 15.417 1.00 . A A . 11 PH8 HJ 1 1 16 2793 1 1 11 . HJA H 1.149 -0.165 16.772 1.00 . A A . 11 PH8 HJA 1 1 16 2794 1 1 11 . HN H 2.065 -2.433 11.910 1.00 . A A . 11 PH8 HN 1 1 16 2795 1 1 11 . HZ H 4.694 -4.663 17.614 1.00 . A A . 11 PH8 HZ 1 1 16 2796 1 1 11 . N N 1.223 -2.114 12.297 1.00 . A A . 11 PH8 N 1 1 16 2797 1 1 11 . O O 1.371 1.397 11.775 1.00 . A A . 11 PH8 O 1 1 16 2798 1 1 12 NH2 HN1 H 0.000 -1.133 10.607 1.00 . A A . 12 NH2 HN1 1 1 16 2799 1 1 12 NH2 HN2 H 0.174 0.413 9.858 1.00 . A A . 12 NH2 HN2 1 1 16 2800 1 1 12 NH2 N N 0.309 -0.203 10.608 1.00 . A A . 12 NH2 N 1 1 17 2801 1 1 1 HIS C C 8.450 -8.484 1.622 1.00 . A A . 1 HIS C 1 1 17 2802 1 1 1 HIS CA C 7.397 -9.586 1.562 1.00 . A A . 1 HIS CA 1 1 17 2803 1 1 1 HIS CB C 7.084 -9.941 0.106 1.00 . A A . 1 HIS CB 1 1 17 2804 1 1 1 HIS CD2 C 6.346 -7.778 -1.123 1.00 . A A . 1 HIS CD2 1 1 17 2805 1 1 1 HIS CE1 C 4.208 -8.230 -1.309 1.00 . A A . 1 HIS CE1 1 1 17 2806 1 1 1 HIS CG C 6.135 -8.990 -0.557 1.00 . A A . 1 HIS CG 1 1 17 2807 1 1 1 HIS H1 H 5.787 -8.282 1.810 1.00 . A A . 1 HIS H1 1 1 17 2808 1 1 1 HIS H2 H 6.307 -9.010 3.246 1.00 . A A . 1 HIS H2 1 1 17 2809 1 1 1 HIS H3 H 5.412 -9.903 2.123 1.00 . A A . 1 HIS H3 1 1 17 2810 1 1 1 HIS HA H 7.777 -10.462 2.067 1.00 . A A . 1 HIS HA 1 1 17 2811 1 1 1 HIS HB2 H 8.003 -9.941 -0.462 1.00 . A A . 1 HIS HB2 1 1 17 2812 1 1 1 HIS HB3 H 6.646 -10.928 0.070 1.00 . A A . 1 HIS HB3 1 1 17 2813 1 1 1 HIS HD1 H 4.322 -10.049 -0.378 1.00 . A A . 1 HIS HD1 1 1 17 2814 1 1 1 HIS HD2 H 7.292 -7.261 -1.199 1.00 . A A . 1 HIS HD2 1 1 17 2815 1 1 1 HIS HE1 H 3.158 -8.153 -1.550 1.00 . A A . 1 HIS HE1 1 1 17 2816 1 1 1 HIS HE2 H 4.989 -6.516 -2.113 1.00 . A A . 1 HIS HE2 1 1 17 2817 1 1 1 HIS N N 6.138 -9.166 2.232 1.00 . A A . 1 HIS N 1 1 17 2818 1 1 1 HIS ND1 N 4.786 -9.244 -0.690 1.00 . A A . 1 HIS ND1 1 1 17 2819 1 1 1 HIS NE2 N 5.132 -7.328 -1.582 1.00 . A A . 1 HIS NE2 1 1 17 2820 1 1 1 HIS O O 9.077 -8.154 0.615 1.00 . A A . 1 HIS O 1 1 17 2821 1 1 2 ABA C C 9.632 -6.437 4.483 1.00 . A A . 2 AIB C 1 1 17 2822 1 1 2 ABA CA C 9.628 -6.853 3.009 1.00 . A A . 2 AIB CA 1 1 17 2823 1 1 2 ABA H H 8.114 -8.229 3.577 1.00 . A A . 2 AIB H 1 1 17 2824 1 1 2 ABA N N 8.643 -7.920 2.812 1.00 . A A . 2 AIB N 1 1 17 2825 1 1 2 ABA O O 8.761 -6.841 5.254 1.00 . A A . 2 AIB O 1 1 17 2826 1 1 3 GLU C C 9.597 -4.196 6.584 1.00 . A A . 3 GLU C 1 1 17 2827 1 1 3 GLU CA C 10.729 -5.160 6.242 1.00 . A A . 3 GLU CA 1 1 17 2828 1 1 3 GLU CB C 12.082 -4.478 6.462 1.00 . A A . 3 GLU CB 1 1 17 2829 1 1 3 GLU CD C 12.419 -4.489 8.967 1.00 . A A . 3 GLU CD 1 1 17 2830 1 1 3 GLU CG C 12.869 -5.048 7.631 1.00 . A A . 3 GLU CG 1 1 17 2831 1 1 3 GLU H H 11.280 -5.338 4.205 1.00 . A A . 3 GLU H 1 1 17 2832 1 1 3 GLU HA H 10.660 -6.020 6.890 1.00 . A A . 3 GLU HA 1 1 17 2833 1 1 3 GLU HB2 H 12.677 -4.589 5.568 1.00 . A A . 3 GLU HB2 1 1 17 2834 1 1 3 GLU HB3 H 11.919 -3.426 6.646 1.00 . A A . 3 GLU HB3 1 1 17 2835 1 1 3 GLU HG2 H 12.742 -6.120 7.645 1.00 . A A . 3 GLU HG2 1 1 17 2836 1 1 3 GLU HG3 H 13.915 -4.813 7.492 1.00 . A A . 3 GLU HG3 1 1 17 2837 1 1 3 GLU N N 10.616 -5.628 4.864 1.00 . A A . 3 GLU N 1 1 17 2838 1 1 3 GLU O O 9.158 -4.118 7.732 1.00 . A A . 3 GLU O 1 1 17 2839 1 1 3 GLU OE1 O 11.294 -3.949 9.037 1.00 . A A . 3 GLU OE1 1 1 17 2840 1 1 3 GLU OE2 O 13.190 -4.593 9.945 1.00 . A A . 3 GLU OE2 1 1 17 2841 1 1 4 GLY C C 6.679 -3.155 5.717 1.00 . A A . 4 GLY C 1 1 17 2842 1 1 4 GLY CA C 8.052 -2.513 5.796 1.00 . A A . 4 GLY CA 1 1 17 2843 1 1 4 GLY H H 9.516 -3.565 4.687 1.00 . A A . 4 GLY H 1 1 17 2844 1 1 4 GLY HA2 H 8.171 -2.067 6.773 1.00 . A A . 4 GLY HA2 1 1 17 2845 1 1 4 GLY HA3 H 8.117 -1.736 5.048 1.00 . A A . 4 GLY HA3 1 1 17 2846 1 1 4 GLY N N 9.128 -3.462 5.581 1.00 . A A . 4 GLY N 1 1 17 2847 1 1 4 GLY O O 5.692 -2.580 6.174 1.00 . A A . 4 GLY O 1 1 17 2848 1 1 5 LYS C C 4.732 -5.342 6.367 1.00 . A A . 5 LYS C 1 1 17 2849 1 1 5 LYS CA C 5.347 -5.061 5.001 1.00 . A A . 5 LYS CA 1 1 17 2850 1 1 5 LYS CB C 5.550 -6.377 4.247 1.00 . A A . 5 LYS CB 1 1 17 2851 1 1 5 LYS CD C 3.039 -6.651 4.242 1.00 . A A . 5 LYS CD 1 1 17 2852 1 1 5 LYS CE C 2.997 -7.553 5.466 1.00 . A A . 5 LYS CE 1 1 17 2853 1 1 5 LYS CG C 4.330 -6.830 3.454 1.00 . A A . 5 LYS CG 1 1 17 2854 1 1 5 LYS H H 7.432 -4.762 4.788 1.00 . A A . 5 LYS H 1 1 17 2855 1 1 5 LYS HA H 4.672 -4.434 4.438 1.00 . A A . 5 LYS HA 1 1 17 2856 1 1 5 LYS HB2 H 6.374 -6.260 3.559 1.00 . A A . 5 LYS HB2 1 1 17 2857 1 1 5 LYS HB3 H 5.796 -7.152 4.959 1.00 . A A . 5 LYS HB3 1 1 17 2858 1 1 5 LYS HD2 H 2.965 -5.623 4.565 1.00 . A A . 5 LYS HD2 1 1 17 2859 1 1 5 LYS HD3 H 2.203 -6.889 3.602 1.00 . A A . 5 LYS HD3 1 1 17 2860 1 1 5 LYS HE2 H 2.538 -8.491 5.190 1.00 . A A . 5 LYS HE2 1 1 17 2861 1 1 5 LYS HE3 H 4.008 -7.733 5.801 1.00 . A A . 5 LYS HE3 1 1 17 2862 1 1 5 LYS HG2 H 4.268 -6.248 2.547 1.00 . A A . 5 LYS HG2 1 1 17 2863 1 1 5 LYS HG3 H 4.446 -7.875 3.204 1.00 . A A . 5 LYS HG3 1 1 17 2864 1 1 5 LYS HZ1 H 2.728 -6.436 7.231 1.00 . A A . 5 LYS HZ1 1 1 17 2865 1 1 5 LYS N N 6.613 -4.350 5.135 1.00 . A A . 5 LYS N 1 1 17 2866 1 1 5 LYS NZ N 2.233 -6.954 6.559 1.00 . A A . 5 LYS NZ 1 1 17 2867 1 1 5 LYS O O 3.665 -4.823 6.699 1.00 . A A . 5 LYS O 1 1 17 2868 1 1 6 PHE C C 4.446 -5.316 9.256 1.00 . A A . 6 PHE C 1 1 17 2869 1 1 6 PHE CA C 4.935 -6.539 8.485 1.00 . A A . 6 PHE CA 1 1 17 2870 1 1 6 PHE CB C 6.050 -7.237 9.268 1.00 . A A . 6 PHE CB 1 1 17 2871 1 1 6 PHE CD1 C 4.681 -9.305 9.642 1.00 . A A . 6 PHE CD1 1 1 17 2872 1 1 6 PHE CD2 C 6.976 -9.558 9.046 1.00 . A A . 6 PHE CD2 1 1 17 2873 1 1 6 PHE CE1 C 4.538 -10.679 9.690 1.00 . A A . 6 PHE CE1 1 1 17 2874 1 1 6 PHE CE2 C 6.839 -10.933 9.092 1.00 . A A . 6 PHE CE2 1 1 17 2875 1 1 6 PHE CG C 5.899 -8.730 9.319 1.00 . A A . 6 PHE CG 1 1 17 2876 1 1 6 PHE CZ C 5.619 -11.494 9.415 1.00 . A A . 6 PHE CZ 1 1 17 2877 1 1 6 PHE H H 6.250 -6.558 6.825 1.00 . A A . 6 PHE H 1 1 17 2878 1 1 6 PHE HA H 4.112 -7.226 8.365 1.00 . A A . 6 PHE HA 1 1 17 2879 1 1 6 PHE HB2 H 6.999 -7.015 8.804 1.00 . A A . 6 PHE HB2 1 1 17 2880 1 1 6 PHE HB3 H 6.055 -6.867 10.283 1.00 . A A . 6 PHE HB3 1 1 17 2881 1 1 6 PHE HD1 H 3.835 -8.669 9.857 1.00 . A A . 6 PHE HD1 1 1 17 2882 1 1 6 PHE HD2 H 7.930 -9.121 8.793 1.00 . A A . 6 PHE HD2 1 1 17 2883 1 1 6 PHE HE1 H 3.583 -11.115 9.943 1.00 . A A . 6 PHE HE1 1 1 17 2884 1 1 6 PHE HE2 H 7.686 -11.568 8.876 1.00 . A A . 6 PHE HE2 1 1 17 2885 1 1 6 PHE HZ H 5.510 -12.568 9.452 1.00 . A A . 6 PHE HZ 1 1 17 2886 1 1 6 PHE N N 5.410 -6.174 7.152 1.00 . A A . 6 PHE N 1 1 17 2887 1 1 6 PHE O O 3.472 -5.391 10.004 1.00 . A A . 6 PHE O 1 1 17 2888 1 1 7 THR C C 3.661 -2.211 9.012 1.00 . A A . 7 THR C 1 1 17 2889 1 1 7 THR CA C 4.761 -2.962 9.756 1.00 . A A . 7 THR CA 1 1 17 2890 1 1 7 THR CB C 5.974 -2.031 9.928 1.00 . A A . 7 THR CB 1 1 17 2891 1 1 7 THR CG2 C 7.099 -2.739 10.668 1.00 . A A . 7 THR CG2 1 1 17 2892 1 1 7 THR H H 5.897 -4.194 8.465 1.00 . A A . 7 THR H 1 1 17 2893 1 1 7 THR HA H 4.396 -3.228 10.736 1.00 . A A . 7 THR HA 1 1 17 2894 1 1 7 THR HB H 5.670 -1.170 10.505 1.00 . A A . 7 THR HB 1 1 17 2895 1 1 7 THR HG1 H 6.641 -2.357 8.100 1.00 . A A . 7 THR HG1 1 1 17 2896 1 1 7 THR HG21 H 6.858 -2.797 11.719 1.00 . A A . 7 THR HG21 1 1 17 2897 1 1 7 THR HG22 H 8.019 -2.188 10.538 1.00 . A A . 7 THR HG22 1 1 17 2898 1 1 7 THR HG23 H 7.218 -3.737 10.271 1.00 . A A . 7 THR HG23 1 1 17 2899 1 1 7 THR N N 5.128 -4.193 9.072 1.00 . A A . 7 THR N 1 1 17 2900 1 1 7 THR O O 2.944 -1.403 9.601 1.00 . A A . 7 THR O 1 1 17 2901 1 1 7 THR OG1 O 6.442 -1.593 8.646 1.00 . A A . 7 THR OG1 1 1 17 2902 1 1 8 SER C C 1.111 -2.174 7.379 1.00 . A A . 8 SER C 1 1 17 2903 1 1 8 SER CA C 2.517 -1.819 6.902 1.00 . A A . 8 SER CA 1 1 17 2904 1 1 8 SER CB C 2.680 -2.209 5.432 1.00 . A A . 8 SER CB 1 1 17 2905 1 1 8 SER H H 4.133 -3.127 7.299 1.00 . A A . 8 SER H 1 1 17 2906 1 1 8 SER HA H 2.657 -0.753 6.999 1.00 . A A . 8 SER HA 1 1 17 2907 1 1 8 SER HB2 H 2.788 -3.280 5.355 1.00 . A A . 8 SER HB2 1 1 17 2908 1 1 8 SER HB3 H 1.806 -1.895 4.881 1.00 . A A . 8 SER HB3 1 1 17 2909 1 1 8 SER HG H 4.403 -2.268 4.503 1.00 . A A . 8 SER HG 1 1 17 2910 1 1 8 SER N N 3.532 -2.477 7.717 1.00 . A A . 8 SER N 1 1 17 2911 1 1 8 SER O O 0.263 -1.296 7.545 1.00 . A A . 8 SER O 1 1 17 2912 1 1 8 SER OG O 3.823 -1.594 4.864 1.00 . A A . 8 SER OG 1 1 17 2913 1 1 9 GLU C C -0.549 -3.941 9.559 1.00 . A A . 9 GLU C 1 1 17 2914 1 1 9 GLU CA C -0.444 -3.931 8.036 1.00 . A A . 9 GLU CA 1 1 17 2915 1 1 9 GLU CB C -0.733 -5.329 7.483 1.00 . A A . 9 GLU CB 1 1 17 2916 1 1 9 GLU CD C 0.917 -7.069 6.685 1.00 . A A . 9 GLU CD 1 1 17 2917 1 1 9 GLU CG C 0.298 -6.374 7.882 1.00 . A A . 9 GLU CG 1 1 17 2918 1 1 9 GLU H H 1.581 -4.119 7.434 1.00 . A A . 9 GLU H 1 1 17 2919 1 1 9 GLU HA H -1.181 -3.247 7.648 1.00 . A A . 9 GLU HA 1 1 17 2920 1 1 9 GLU HB2 H -1.698 -5.653 7.844 1.00 . A A . 9 GLU HB2 1 1 17 2921 1 1 9 GLU HB3 H -0.762 -5.276 6.404 1.00 . A A . 9 GLU HB3 1 1 17 2922 1 1 9 GLU HG2 H 1.083 -5.891 8.443 1.00 . A A . 9 GLU HG2 1 1 17 2923 1 1 9 GLU HG3 H -0.182 -7.116 8.503 1.00 . A A . 9 GLU HG3 1 1 17 2924 1 1 9 GLU N N 0.867 -3.465 7.590 1.00 . A A . 9 GLU N 1 1 17 2925 1 1 9 GLU O O -1.609 -3.654 10.115 1.00 . A A . 9 GLU O 1 1 17 2926 1 1 9 GLU OE1 O 0.261 -7.856 6.003 1.00 . A A . 9 GLU OE1 1 1 17 2927 1 1 10 PHE C C 0.677 -2.904 12.267 1.00 . A A . 10 PHE C 1 1 17 2928 1 1 10 PHE CA C 0.564 -4.311 11.690 1.00 . A A . 10 PHE CA 1 1 17 2929 1 1 10 PHE CB C 1.718 -5.181 12.192 1.00 . A A . 10 PHE CB 1 1 17 2930 1 1 10 PHE CD1 C 0.279 -6.616 13.665 1.00 . A A . 10 PHE CD1 1 1 17 2931 1 1 10 PHE CD2 C 2.314 -5.756 14.563 1.00 . A A . 10 PHE CD2 1 1 17 2932 1 1 10 PHE CE1 C 0.012 -7.247 14.865 1.00 . A A . 10 PHE CE1 1 1 17 2933 1 1 10 PHE CE2 C 2.052 -6.384 15.766 1.00 . A A . 10 PHE CE2 1 1 17 2934 1 1 10 PHE CG C 1.432 -5.864 13.500 1.00 . A A . 10 PHE CG 1 1 17 2935 1 1 10 PHE CZ C 0.900 -7.131 15.917 1.00 . A A . 10 PHE CZ 1 1 17 2936 1 1 10 PHE H H 1.367 -4.487 9.736 1.00 . A A . 10 PHE H 1 1 17 2937 1 1 10 PHE HA H -0.369 -4.745 12.016 1.00 . A A . 10 PHE HA 1 1 17 2938 1 1 10 PHE HB2 H 1.927 -5.945 11.459 1.00 . A A . 10 PHE HB2 1 1 17 2939 1 1 10 PHE HB3 H 2.596 -4.564 12.322 1.00 . A A . 10 PHE HB3 1 1 17 2940 1 1 10 PHE HD1 H -0.416 -6.708 12.843 1.00 . A A . 10 PHE HD1 1 1 17 2941 1 1 10 PHE HD2 H 3.216 -5.172 14.446 1.00 . A A . 10 PHE HD2 1 1 17 2942 1 1 10 PHE HE1 H -0.890 -7.830 14.981 1.00 . A A . 10 PHE HE1 1 1 17 2943 1 1 10 PHE HE2 H 2.748 -6.292 16.587 1.00 . A A . 10 PHE HE2 1 1 17 2944 1 1 10 PHE HZ H 0.693 -7.623 16.856 1.00 . A A . 10 PHE HZ 1 1 17 2945 1 1 10 PHE N N 0.550 -4.270 10.230 1.00 . A A . 10 PHE N 1 1 17 2946 1 1 10 PHE O O 0.195 -2.630 13.367 1.00 . A A . 10 PHE O 1 1 17 2947 1 1 11 . C C 1.218 0.329 10.781 1.00 . A A . 11 PH8 C 1 1 17 2948 1 1 11 . CA C 1.487 -0.630 11.939 1.00 . A A . 11 PH8 CA 1 1 17 2949 1 1 11 . CB C 2.903 -0.416 12.480 1.00 . A A . 11 PH8 CB 1 1 17 2950 1 1 11 . CD1 C 6.199 -1.387 14.209 1.00 . A A . 11 PH8 CD1 1 1 17 2951 1 1 11 . CD2 C 5.870 0.873 13.522 1.00 . A A . 11 PH8 CD2 1 1 17 2952 1 1 11 . CE1 C 7.468 -1.371 13.664 1.00 . A A . 11 PH8 CE1 1 1 17 2953 1 1 11 . CE2 C 7.139 0.894 12.975 1.00 . A A . 11 PH8 CE2 1 1 17 2954 1 1 11 . CG C 5.386 -0.266 14.145 1.00 . A A . 11 PH8 CG 1 1 17 2955 1 1 11 . CI C 2.940 0.297 13.822 1.00 . A A . 11 PH8 CI 1 1 17 2956 1 1 11 . CJ C 4.006 -0.286 14.736 1.00 . A A . 11 PH8 CJ 1 1 17 2957 1 1 11 . CZ C 7.939 -0.229 13.046 1.00 . A A . 11 PH8 CZ 1 1 17 2958 1 1 11 . HA H 0.775 -0.433 12.727 1.00 . A A . 11 PH8 HA 1 1 17 2959 1 1 11 . HB H 3.380 -1.378 12.594 1.00 . A A . 11 PH8 HB 1 1 17 2960 1 1 11 . HBA H 3.466 0.172 11.769 1.00 . A A . 11 PH8 HBA 1 1 17 2961 1 1 11 . HD1 H 5.832 -2.281 14.692 1.00 . A A . 11 PH8 HD1 1 1 17 2962 1 1 11 . HD2 H 5.246 1.752 13.467 1.00 . A A . 11 PH8 HD2 1 1 17 2963 1 1 11 . HE1 H 8.092 -2.251 13.721 1.00 . A A . 11 PH8 HE1 1 1 17 2964 1 1 11 . HE2 H 7.505 1.789 12.493 1.00 . A A . 11 PH8 HE2 1 1 17 2965 1 1 11 . HI H 3.154 1.342 13.658 1.00 . A A . 11 PH8 HI 1 1 17 2966 1 1 11 . HIA H 1.976 0.196 14.299 1.00 . A A . 11 PH8 HIA 1 1 17 2967 1 1 11 . HJ H 3.749 -1.312 14.956 1.00 . A A . 11 PH8 HJ 1 1 17 2968 1 1 11 . HJA H 4.025 0.283 15.654 1.00 . A A . 11 PH8 HJA 1 1 17 2969 1 1 11 . HN H 1.670 -2.291 10.644 1.00 . A A . 11 PH8 HN 1 1 17 2970 1 1 11 . HZ H 8.931 -0.214 12.619 1.00 . A A . 11 PH8 HZ 1 1 17 2971 1 1 11 . N N 1.312 -2.013 11.512 1.00 . A A . 11 PH8 N 1 1 17 2972 1 1 11 . O O 1.747 1.440 10.747 1.00 . A A . 11 PH8 O 1 1 17 2973 1 1 12 NH2 HN1 H 0.022 -1.007 9.917 1.00 . A A . 12 NH2 HN1 1 1 17 2974 1 1 12 NH2 HN2 H 0.233 0.476 9.058 1.00 . A A . 12 NH2 HN2 1 1 17 2975 1 1 12 NH2 N N 0.408 -0.111 9.823 1.00 . A A . 12 NH2 N 1 1 18 2976 1 1 1 HIS C C 10.736 -7.558 0.256 1.00 . A A . 1 HIS C 1 1 18 2977 1 1 1 HIS CA C 11.427 -8.861 -0.137 1.00 . A A . 1 HIS CA 1 1 18 2978 1 1 1 HIS CB C 11.623 -8.921 -1.654 1.00 . A A . 1 HIS CB 1 1 18 2979 1 1 1 HIS CD2 C 14.200 -8.733 -1.432 1.00 . A A . 1 HIS CD2 1 1 18 2980 1 1 1 HIS CE1 C 14.638 -7.951 -3.433 1.00 . A A . 1 HIS CE1 1 1 18 2981 1 1 1 HIS CG C 13.022 -8.615 -2.089 1.00 . A A . 1 HIS CG 1 1 18 2982 1 1 1 HIS H1 H 9.613 -9.857 0.133 1.00 . A A . 1 HIS H1 1 1 18 2983 1 1 1 HIS H2 H 10.785 -10.239 1.291 1.00 . A A . 1 HIS H2 1 1 18 2984 1 1 1 HIS H3 H 10.903 -10.876 -0.271 1.00 . A A . 1 HIS H3 1 1 18 2985 1 1 1 HIS HA H 12.390 -8.909 0.348 1.00 . A A . 1 HIS HA 1 1 18 2986 1 1 1 HIS HB2 H 11.378 -9.913 -2.003 1.00 . A A . 1 HIS HB2 1 1 18 2987 1 1 1 HIS HB3 H 10.964 -8.206 -2.125 1.00 . A A . 1 HIS HB3 1 1 18 2988 1 1 1 HIS HD1 H 12.689 -7.928 -4.053 1.00 . A A . 1 HIS HD1 1 1 18 2989 1 1 1 HIS HD2 H 14.337 -9.090 -0.421 1.00 . A A . 1 HIS HD2 1 1 18 2990 1 1 1 HIS HE1 H 15.166 -7.577 -4.297 1.00 . A A . 1 HIS HE1 1 1 18 2991 1 1 1 HIS HE2 H 16.151 -8.373 -2.119 1.00 . A A . 1 HIS HE2 1 1 18 2992 1 1 1 HIS N N 10.626 -10.040 0.283 1.00 . A A . 1 HIS N 1 1 18 2993 1 1 1 HIS ND1 N 13.331 -8.122 -3.340 1.00 . A A . 1 HIS ND1 1 1 18 2994 1 1 1 HIS NE2 N 15.188 -8.314 -2.289 1.00 . A A . 1 HIS NE2 1 1 18 2995 1 1 1 HIS O O 10.685 -6.611 -0.528 1.00 . A A . 1 HIS O 1 1 18 2996 1 1 2 ABA C C 9.027 -6.580 3.404 1.00 . A A . 2 AIB C 1 1 18 2997 1 1 2 ABA CA C 9.511 -6.328 1.973 1.00 . A A . 2 AIB CA 1 1 18 2998 1 1 2 ABA H H 10.276 -8.306 2.053 1.00 . A A . 2 AIB H 1 1 18 2999 1 1 2 ABA N N 10.204 -7.519 1.474 1.00 . A A . 2 AIB N 1 1 18 3000 1 1 2 ABA O O 7.840 -6.807 3.638 1.00 . A A . 2 AIB O 1 1 18 3001 1 1 3 GLU C C 8.648 -5.696 6.268 1.00 . A A . 3 GLU C 1 1 18 3002 1 1 3 GLU CA C 9.624 -6.755 5.759 1.00 . A A . 3 GLU CA 1 1 18 3003 1 1 3 GLU CB C 10.894 -6.744 6.612 1.00 . A A . 3 GLU CB 1 1 18 3004 1 1 3 GLU CD C 13.150 -7.844 6.902 1.00 . A A . 3 GLU CD 1 1 18 3005 1 1 3 GLU CG C 11.691 -8.036 6.533 1.00 . A A . 3 GLU CG 1 1 18 3006 1 1 3 GLU H H 10.885 -6.348 4.108 1.00 . A A . 3 GLU H 1 1 18 3007 1 1 3 GLU HA H 9.158 -7.725 5.840 1.00 . A A . 3 GLU HA 1 1 18 3008 1 1 3 GLU HB2 H 11.528 -5.934 6.282 1.00 . A A . 3 GLU HB2 1 1 18 3009 1 1 3 GLU HB3 H 10.620 -6.577 7.643 1.00 . A A . 3 GLU HB3 1 1 18 3010 1 1 3 GLU HG2 H 11.256 -8.754 7.212 1.00 . A A . 3 GLU HG2 1 1 18 3011 1 1 3 GLU HG3 H 11.637 -8.416 5.524 1.00 . A A . 3 GLU HG3 1 1 18 3012 1 1 3 GLU N N 9.956 -6.535 4.355 1.00 . A A . 3 GLU N 1 1 18 3013 1 1 3 GLU O O 7.992 -5.886 7.292 1.00 . A A . 3 GLU O 1 1 18 3014 1 1 3 GLU OE1 O 13.637 -6.697 6.821 1.00 . A A . 3 GLU OE1 1 1 18 3015 1 1 3 GLU OE2 O 13.804 -8.841 7.273 1.00 . A A . 3 GLU OE2 1 1 18 3016 1 1 4 GLY C C 6.224 -3.976 6.117 1.00 . A A . 4 GLY C 1 1 18 3017 1 1 4 GLY CA C 7.658 -3.509 5.945 1.00 . A A . 4 GLY CA 1 1 18 3018 1 1 4 GLY H H 9.103 -4.481 4.742 1.00 . A A . 4 GLY H 1 1 18 3019 1 1 4 GLY HA2 H 8.004 -3.095 6.881 1.00 . A A . 4 GLY HA2 1 1 18 3020 1 1 4 GLY HA3 H 7.685 -2.736 5.192 1.00 . A A . 4 GLY HA3 1 1 18 3021 1 1 4 GLY N N 8.556 -4.580 5.548 1.00 . A A . 4 GLY N 1 1 18 3022 1 1 4 GLY O O 5.434 -3.327 6.803 1.00 . A A . 4 GLY O 1 1 18 3023 1 1 5 LYS C C 4.028 -5.661 7.019 1.00 . A A . 5 LYS C 1 1 18 3024 1 1 5 LYS CA C 4.535 -5.655 5.579 1.00 . A A . 5 LYS CA 1 1 18 3025 1 1 5 LYS CB C 4.509 -7.080 5.019 1.00 . A A . 5 LYS CB 1 1 18 3026 1 1 5 LYS CD C 1.996 -7.076 5.252 1.00 . A A . 5 LYS CD 1 1 18 3027 1 1 5 LYS CE C 2.019 -7.790 6.595 1.00 . A A . 5 LYS CE 1 1 18 3028 1 1 5 LYS CG C 3.181 -7.470 4.383 1.00 . A A . 5 LYS CG 1 1 18 3029 1 1 5 LYS H H 6.558 -5.574 4.959 1.00 . A A . 5 LYS H 1 1 18 3030 1 1 5 LYS HA H 3.883 -5.033 4.983 1.00 . A A . 5 LYS HA 1 1 18 3031 1 1 5 LYS HB2 H 5.281 -7.173 4.270 1.00 . A A . 5 LYS HB2 1 1 18 3032 1 1 5 LYS HB3 H 4.715 -7.772 5.822 1.00 . A A . 5 LYS HB3 1 1 18 3033 1 1 5 LYS HD2 H 2.027 -6.010 5.423 1.00 . A A . 5 LYS HD2 1 1 18 3034 1 1 5 LYS HD3 H 1.082 -7.332 4.734 1.00 . A A . 5 LYS HD3 1 1 18 3035 1 1 5 LYS HE2 H 1.466 -8.714 6.508 1.00 . A A . 5 LYS HE2 1 1 18 3036 1 1 5 LYS HE3 H 3.044 -8.008 6.857 1.00 . A A . 5 LYS HE3 1 1 18 3037 1 1 5 LYS HG2 H 3.093 -6.974 3.428 1.00 . A A . 5 LYS HG2 1 1 18 3038 1 1 5 LYS HG3 H 3.167 -8.541 4.235 1.00 . A A . 5 LYS HG3 1 1 18 3039 1 1 5 LYS HZ1 H 2.024 -6.455 8.223 1.00 . A A . 5 LYS HZ1 1 1 18 3040 1 1 5 LYS N N 5.885 -5.103 5.493 1.00 . A A . 5 LYS N 1 1 18 3041 1 1 5 LYS NZ N 1.421 -6.978 7.653 1.00 . A A . 5 LYS NZ 1 1 18 3042 1 1 5 LYS O O 3.018 -5.028 7.336 1.00 . A A . 5 LYS O 1 1 18 3043 1 1 6 PHE C C 3.995 -5.121 9.873 1.00 . A A . 6 PHE C 1 1 18 3044 1 1 6 PHE CA C 4.359 -6.486 9.294 1.00 . A A . 6 PHE CA 1 1 18 3045 1 1 6 PHE CB C 5.502 -7.107 10.101 1.00 . A A . 6 PHE CB 1 1 18 3046 1 1 6 PHE CD1 C 4.773 -9.440 9.532 1.00 . A A . 6 PHE CD1 1 1 18 3047 1 1 6 PHE CD2 C 5.526 -8.999 11.751 1.00 . A A . 6 PHE CD2 1 1 18 3048 1 1 6 PHE CE1 C 4.550 -10.762 9.867 1.00 . A A . 6 PHE CE1 1 1 18 3049 1 1 6 PHE CE2 C 5.305 -10.320 12.092 1.00 . A A . 6 PHE CE2 1 1 18 3050 1 1 6 PHE CG C 5.262 -8.544 10.469 1.00 . A A . 6 PHE CG 1 1 18 3051 1 1 6 PHE CZ C 4.817 -11.203 11.149 1.00 . A A . 6 PHE CZ 1 1 18 3052 1 1 6 PHE H H 5.524 -6.868 7.568 1.00 . A A . 6 PHE H 1 1 18 3053 1 1 6 PHE HA H 3.496 -7.131 9.360 1.00 . A A . 6 PHE HA 1 1 18 3054 1 1 6 PHE HB2 H 6.411 -7.061 9.520 1.00 . A A . 6 PHE HB2 1 1 18 3055 1 1 6 PHE HB3 H 5.636 -6.548 11.016 1.00 . A A . 6 PHE HB3 1 1 18 3056 1 1 6 PHE HD1 H 4.564 -9.097 8.529 1.00 . A A . 6 PHE HD1 1 1 18 3057 1 1 6 PHE HD2 H 5.908 -8.309 12.489 1.00 . A A . 6 PHE HD2 1 1 18 3058 1 1 6 PHE HE1 H 4.169 -11.450 9.127 1.00 . A A . 6 PHE HE1 1 1 18 3059 1 1 6 PHE HE2 H 5.515 -10.662 13.095 1.00 . A A . 6 PHE HE2 1 1 18 3060 1 1 6 PHE HZ H 4.643 -12.235 11.413 1.00 . A A . 6 PHE HZ 1 1 18 3061 1 1 6 PHE N N 4.733 -6.385 7.885 1.00 . A A . 6 PHE N 1 1 18 3062 1 1 6 PHE O O 3.075 -5.005 10.682 1.00 . A A . 6 PHE O 1 1 18 3063 1 1 7 THR C C 3.372 -2.055 9.130 1.00 . A A . 7 THR C 1 1 18 3064 1 1 7 THR CA C 4.473 -2.738 9.937 1.00 . A A . 7 THR CA 1 1 18 3065 1 1 7 THR CB C 5.751 -1.876 9.888 1.00 . A A . 7 THR CB 1 1 18 3066 1 1 7 THR CG2 C 6.181 -1.464 11.288 1.00 . A A . 7 THR CG2 1 1 18 3067 1 1 7 THR H H 5.444 -4.244 8.810 1.00 . A A . 7 THR H 1 1 18 3068 1 1 7 THR HA H 4.152 -2.812 10.965 1.00 . A A . 7 THR HA 1 1 18 3069 1 1 7 THR HB H 5.546 -0.983 9.314 1.00 . A A . 7 THR HB 1 1 18 3070 1 1 7 THR HG1 H 6.999 -3.398 9.759 1.00 . A A . 7 THR HG1 1 1 18 3071 1 1 7 THR HG21 H 7.224 -1.182 11.276 1.00 . A A . 7 THR HG21 1 1 18 3072 1 1 7 THR HG22 H 6.039 -2.292 11.966 1.00 . A A . 7 THR HG22 1 1 18 3073 1 1 7 THR HG23 H 5.585 -0.624 11.615 1.00 . A A . 7 THR HG23 1 1 18 3074 1 1 7 THR N N 4.723 -4.091 9.455 1.00 . A A . 7 THR N 1 1 18 3075 1 1 7 THR O O 2.741 -1.110 9.603 1.00 . A A . 7 THR O 1 1 18 3076 1 1 7 THR OG1 O 6.810 -2.603 9.254 1.00 . A A . 7 THR OG1 1 1 18 3077 1 1 8 SER C C 0.741 -2.090 7.686 1.00 . A A . 8 SER C 1 1 18 3078 1 1 8 SER CA C 2.121 -1.969 7.048 1.00 . A A . 8 SER CA 1 1 18 3079 1 1 8 SER CB C 2.129 -2.668 5.687 1.00 . A A . 8 SER CB 1 1 18 3080 1 1 8 SER H H 3.681 -3.289 7.589 1.00 . A A . 8 SER H 1 1 18 3081 1 1 8 SER HA H 2.349 -0.923 6.906 1.00 . A A . 8 SER HA 1 1 18 3082 1 1 8 SER HB2 H 1.991 -3.729 5.828 1.00 . A A . 8 SER HB2 1 1 18 3083 1 1 8 SER HB3 H 1.324 -2.278 5.080 1.00 . A A . 8 SER HB3 1 1 18 3084 1 1 8 SER HG H 4.065 -2.887 5.489 1.00 . A A . 8 SER HG 1 1 18 3085 1 1 8 SER N N 3.146 -2.536 7.913 1.00 . A A . 8 SER N 1 1 18 3086 1 1 8 SER O O -0.021 -1.123 7.726 1.00 . A A . 8 SER O 1 1 18 3087 1 1 8 SER OG O 3.355 -2.454 5.010 1.00 . A A . 8 SER OG 1 1 18 3088 1 1 9 GLU C C -0.823 -3.231 10.311 1.00 . A A . 9 GLU C 1 1 18 3089 1 1 9 GLU CA C -0.873 -3.522 8.814 1.00 . A A . 9 GLU CA 1 1 18 3090 1 1 9 GLU CB C -1.333 -4.963 8.576 1.00 . A A . 9 GLU CB 1 1 18 3091 1 1 9 GLU CD C 0.114 -6.910 7.876 1.00 . A A . 9 GLU CD 1 1 18 3092 1 1 9 GLU CG C -0.322 -6.010 9.015 1.00 . A A . 9 GLU CG 1 1 18 3093 1 1 9 GLU H H 1.070 -4.019 8.120 1.00 . A A . 9 GLU H 1 1 18 3094 1 1 9 GLU HA H -1.585 -2.851 8.360 1.00 . A A . 9 GLU HA 1 1 18 3095 1 1 9 GLU HB2 H -2.250 -5.130 9.122 1.00 . A A . 9 GLU HB2 1 1 18 3096 1 1 9 GLU HB3 H -1.524 -5.096 7.522 1.00 . A A . 9 GLU HB3 1 1 18 3097 1 1 9 GLU HG2 H 0.549 -5.509 9.409 1.00 . A A . 9 GLU HG2 1 1 18 3098 1 1 9 GLU HG3 H -0.767 -6.620 9.787 1.00 . A A . 9 GLU HG3 1 1 18 3099 1 1 9 GLU N N 0.422 -3.284 8.183 1.00 . A A . 9 GLU N 1 1 18 3100 1 1 9 GLU O O -1.790 -2.734 10.887 1.00 . A A . 9 GLU O 1 1 18 3101 1 1 9 GLU OE1 O -0.548 -7.899 7.564 1.00 . A A . 9 GLU OE1 1 1 18 3102 1 1 10 PHE C C 0.635 -1.815 12.650 1.00 . A A . 10 PHE C 1 1 18 3103 1 1 10 PHE CA C 0.473 -3.303 12.368 1.00 . A A . 10 PHE CA 1 1 18 3104 1 1 10 PHE CB C 1.683 -4.072 12.901 1.00 . A A . 10 PHE CB 1 1 18 3105 1 1 10 PHE CD1 C 0.572 -4.876 15.002 1.00 . A A . 10 PHE CD1 1 1 18 3106 1 1 10 PHE CD2 C 2.719 -3.853 15.176 1.00 . A A . 10 PHE CD2 1 1 18 3107 1 1 10 PHE CE1 C 0.544 -5.061 16.371 1.00 . A A . 10 PHE CE1 1 1 18 3108 1 1 10 PHE CE2 C 2.697 -4.035 16.546 1.00 . A A . 10 PHE CE2 1 1 18 3109 1 1 10 PHE CG C 1.657 -4.271 14.390 1.00 . A A . 10 PHE CG 1 1 18 3110 1 1 10 PHE CZ C 1.609 -4.640 17.144 1.00 . A A . 10 PHE CZ 1 1 18 3111 1 1 10 PHE H H 1.047 -3.931 10.428 1.00 . A A . 10 PHE H 1 1 18 3112 1 1 10 PHE HA H -0.417 -3.657 12.867 1.00 . A A . 10 PHE HA 1 1 18 3113 1 1 10 PHE HB2 H 1.713 -5.047 12.438 1.00 . A A . 10 PHE HB2 1 1 18 3114 1 1 10 PHE HB3 H 2.583 -3.531 12.652 1.00 . A A . 10 PHE HB3 1 1 18 3115 1 1 10 PHE HD1 H -0.261 -5.205 14.398 1.00 . A A . 10 PHE HD1 1 1 18 3116 1 1 10 PHE HD2 H 3.570 -3.380 14.710 1.00 . A A . 10 PHE HD2 1 1 18 3117 1 1 10 PHE HE1 H -0.308 -5.534 16.836 1.00 . A A . 10 PHE HE1 1 1 18 3118 1 1 10 PHE HE2 H 3.531 -3.706 17.149 1.00 . A A . 10 PHE HE2 1 1 18 3119 1 1 10 PHE HZ H 1.590 -4.783 18.214 1.00 . A A . 10 PHE HZ 1 1 18 3120 1 1 10 PHE N N 0.308 -3.540 10.938 1.00 . A A . 10 PHE N 1 1 18 3121 1 1 10 PHE O O 0.071 -1.287 13.609 1.00 . A A . 10 PHE O 1 1 18 3122 1 1 11 . C C 1.065 1.065 10.766 1.00 . A A . 11 PH8 C 1 1 18 3123 1 1 11 . CA C 1.644 0.288 11.949 1.00 . A A . 11 PH8 CA 1 1 18 3124 1 1 11 . CB C 3.143 0.564 12.070 1.00 . A A . 11 PH8 CB 1 1 18 3125 1 1 11 . CD1 C 6.714 3.714 11.672 1.00 . A A . 11 PH8 CD1 1 1 18 3126 1 1 11 . CD2 C 5.700 2.089 10.251 1.00 . A A . 11 PH8 CD2 1 1 18 3127 1 1 11 . CE1 C 7.510 4.138 10.626 1.00 . A A . 11 PH8 CE1 1 1 18 3128 1 1 11 . CE2 C 6.494 2.509 9.200 1.00 . A A . 11 PH8 CE2 1 1 18 3129 1 1 11 . CG C 5.801 2.686 11.497 1.00 . A A . 11 PH8 CG 1 1 18 3130 1 1 11 . CI C 3.478 2.034 12.263 1.00 . A A . 11 PH8 CI 1 1 18 3131 1 1 11 . CJ C 4.938 2.228 12.638 1.00 . A A . 11 PH8 CJ 1 1 18 3132 1 1 11 . CZ C 7.400 3.535 9.388 1.00 . A A . 11 PH8 CZ 1 1 18 3133 1 1 11 . HA H 1.153 0.614 12.854 1.00 . A A . 11 PH8 HA 1 1 18 3134 1 1 11 . HB H 3.531 0.014 12.915 1.00 . A A . 11 PH8 HB 1 1 18 3135 1 1 11 . HBA H 3.634 0.220 11.172 1.00 . A A . 11 PH8 HBA 1 1 18 3136 1 1 11 . HD1 H 6.801 4.186 12.640 1.00 . A A . 11 PH8 HD1 1 1 18 3137 1 1 11 . HD2 H 4.992 1.288 10.103 1.00 . A A . 11 PH8 HD2 1 1 18 3138 1 1 11 . HE1 H 8.217 4.941 10.775 1.00 . A A . 11 PH8 HE1 1 1 18 3139 1 1 11 . HE2 H 6.406 2.036 8.233 1.00 . A A . 11 PH8 HE2 1 1 18 3140 1 1 11 . HI H 3.279 2.562 11.342 1.00 . A A . 11 PH8 HI 1 1 18 3141 1 1 11 . HIA H 2.858 2.434 13.051 1.00 . A A . 11 PH8 HIA 1 1 18 3142 1 1 11 . HJ H 5.331 1.288 12.999 1.00 . A A . 11 PH8 HJ 1 1 18 3143 1 1 11 . HJA H 4.999 2.967 13.423 1.00 . A A . 11 PH8 HJA 1 1 18 3144 1 1 11 . HN H 1.823 -1.622 11.057 1.00 . A A . 11 PH8 HN 1 1 18 3145 1 1 11 . HZ H 8.022 3.865 8.568 1.00 . A A . 11 PH8 HZ 1 1 18 3146 1 1 11 . N N 1.406 -1.143 11.803 1.00 . A A . 11 PH8 N 1 1 18 3147 1 1 11 . O O 1.031 2.296 10.778 1.00 . A A . 11 PH8 O 1 1 18 3148 1 1 12 NH2 HN1 H 0.665 -0.628 9.797 1.00 . A A . 12 NH2 HN1 1 1 18 3149 1 1 12 NH2 HN2 H 0.233 0.825 8.973 1.00 . A A . 12 NH2 HN2 1 1 18 3150 1 1 12 NH2 N N 0.609 0.348 9.742 1.00 . A A . 12 NH2 N 1 1 19 3151 1 1 1 HIS C C 8.235 -8.818 2.221 1.00 . A A . 1 HIS C 1 1 19 3152 1 1 1 HIS CA C 6.998 -9.433 1.574 1.00 . A A . 1 HIS CA 1 1 19 3153 1 1 1 HIS CB C 7.069 -10.960 1.645 1.00 . A A . 1 HIS CB 1 1 19 3154 1 1 1 HIS CD2 C 7.586 -12.513 3.657 1.00 . A A . 1 HIS CD2 1 1 19 3155 1 1 1 HIS CE1 C 6.154 -11.671 5.088 1.00 . A A . 1 HIS CE1 1 1 19 3156 1 1 1 HIS CG C 6.936 -11.501 3.034 1.00 . A A . 1 HIS CG 1 1 19 3157 1 1 1 HIS H1 H 7.809 -9.088 -0.316 1.00 . A A . 1 HIS H1 1 1 19 3158 1 1 1 HIS H2 H 6.532 -8.053 0.081 1.00 . A A . 1 HIS H2 1 1 19 3159 1 1 1 HIS H3 H 6.216 -9.659 -0.347 1.00 . A A . 1 HIS H3 1 1 19 3160 1 1 1 HIS HA H 6.119 -9.093 2.101 1.00 . A A . 1 HIS HA 1 1 19 3161 1 1 1 HIS HB2 H 6.272 -11.378 1.048 1.00 . A A . 1 HIS HB2 1 1 19 3162 1 1 1 HIS HB3 H 8.019 -11.288 1.248 1.00 . A A . 1 HIS HB3 1 1 19 3163 1 1 1 HIS HD1 H 5.425 -10.252 3.807 1.00 . A A . 1 HIS HD1 1 1 19 3164 1 1 1 HIS HD2 H 8.358 -13.137 3.231 1.00 . A A . 1 HIS HD2 1 1 19 3165 1 1 1 HIS HE1 H 5.580 -11.496 5.987 1.00 . A A . 1 HIS HE1 1 1 19 3166 1 1 1 HIS HE2 H 7.422 -13.180 5.642 1.00 . A A . 1 HIS HE2 1 1 19 3167 1 1 1 HIS N N 6.881 -9.030 0.149 1.00 . A A . 1 HIS N 1 1 19 3168 1 1 1 HIS ND1 N 6.045 -10.996 3.958 1.00 . A A . 1 HIS ND1 1 1 19 3169 1 1 1 HIS NE2 N 7.081 -12.597 4.932 1.00 . A A . 1 HIS NE2 1 1 19 3170 1 1 1 HIS O O 8.892 -9.447 3.050 1.00 . A A . 1 HIS O 1 1 19 3171 1 1 2 ABA C C 9.557 -6.736 3.894 1.00 . A A . 2 AIB C 1 1 19 3172 1 1 2 ABA CA C 9.709 -6.879 2.378 1.00 . A A . 2 AIB CA 1 1 19 3173 1 1 2 ABA H H 7.984 -7.135 1.170 1.00 . A A . 2 AIB H 1 1 19 3174 1 1 2 ABA N N 8.547 -7.584 1.835 1.00 . A A . 2 AIB N 1 1 19 3175 1 1 2 ABA O O 8.531 -7.111 4.463 1.00 . A A . 2 AIB O 1 1 19 3176 1 1 3 GLU C C 9.554 -4.930 6.380 1.00 . A A . 3 GLU C 1 1 19 3177 1 1 3 GLU CA C 10.564 -6.002 5.985 1.00 . A A . 3 GLU CA 1 1 19 3178 1 1 3 GLU CB C 11.956 -5.617 6.489 1.00 . A A . 3 GLU CB 1 1 19 3179 1 1 3 GLU CD C 13.859 -3.956 6.408 1.00 . A A . 3 GLU CD 1 1 19 3180 1 1 3 GLU CG C 12.470 -4.308 5.912 1.00 . A A . 3 GLU CG 1 1 19 3181 1 1 3 GLU H H 11.374 -5.913 4.031 1.00 . A A . 3 GLU H 1 1 19 3182 1 1 3 GLU HA H 10.273 -6.937 6.438 1.00 . A A . 3 GLU HA 1 1 19 3183 1 1 3 GLU HB2 H 11.925 -5.525 7.564 1.00 . A A . 3 GLU HB2 1 1 19 3184 1 1 3 GLU HB3 H 12.651 -6.400 6.223 1.00 . A A . 3 GLU HB3 1 1 19 3185 1 1 3 GLU HG2 H 12.499 -4.391 4.836 1.00 . A A . 3 GLU HG2 1 1 19 3186 1 1 3 GLU HG3 H 11.791 -3.516 6.192 1.00 . A A . 3 GLU HG3 1 1 19 3187 1 1 3 GLU N N 10.584 -6.193 4.539 1.00 . A A . 3 GLU N 1 1 19 3188 1 1 3 GLU O O 8.967 -4.984 7.460 1.00 . A A . 3 GLU O 1 1 19 3189 1 1 3 GLU OE1 O 14.014 -3.724 7.625 1.00 . A A . 3 GLU OE1 1 1 19 3190 1 1 3 GLU OE2 O 14.791 -3.911 5.578 1.00 . A A . 3 GLU OE2 1 1 19 3191 1 1 4 GLY C C 6.994 -3.385 5.931 1.00 . A A . 4 GLY C 1 1 19 3192 1 1 4 GLY CA C 8.417 -2.885 5.775 1.00 . A A . 4 GLY CA 1 1 19 3193 1 1 4 GLY H H 9.852 -3.963 4.653 1.00 . A A . 4 GLY H 1 1 19 3194 1 1 4 GLY HA2 H 8.714 -2.388 6.688 1.00 . A A . 4 GLY HA2 1 1 19 3195 1 1 4 GLY HA3 H 8.449 -2.173 4.964 1.00 . A A . 4 GLY HA3 1 1 19 3196 1 1 4 GLY N N 9.356 -3.955 5.498 1.00 . A A . 4 GLY N 1 1 19 3197 1 1 4 GLY O O 6.196 -2.790 6.655 1.00 . A A . 4 GLY O 1 1 19 3198 1 1 5 LYS C C 4.949 -5.369 6.763 1.00 . A A . 5 LYS C 1 1 19 3199 1 1 5 LYS CA C 5.338 -5.063 5.318 1.00 . A A . 5 LYS CA 1 1 19 3200 1 1 5 LYS CB C 5.274 -6.339 4.467 1.00 . A A . 5 LYS CB 1 1 19 3201 1 1 5 LYS CD C 4.752 -8.293 5.960 1.00 . A A . 5 LYS CD 1 1 19 3202 1 1 5 LYS CE C 3.657 -8.779 6.898 1.00 . A A . 5 LYS CE 1 1 19 3203 1 1 5 LYS CG C 4.210 -7.334 4.912 1.00 . A A . 5 LYS CG 1 1 19 3204 1 1 5 LYS H H 7.356 -4.912 4.691 1.00 . A A . 5 LYS H 1 1 19 3205 1 1 5 LYS HA H 4.645 -4.340 4.917 1.00 . A A . 5 LYS HA 1 1 19 3206 1 1 5 LYS HB2 H 5.067 -6.063 3.444 1.00 . A A . 5 LYS HB2 1 1 19 3207 1 1 5 LYS HB3 H 6.235 -6.832 4.508 1.00 . A A . 5 LYS HB3 1 1 19 3208 1 1 5 LYS HD2 H 5.187 -9.145 5.461 1.00 . A A . 5 LYS HD2 1 1 19 3209 1 1 5 LYS HD3 H 5.511 -7.787 6.538 1.00 . A A . 5 LYS HD3 1 1 19 3210 1 1 5 LYS HE2 H 2.929 -9.331 6.323 1.00 . A A . 5 LYS HE2 1 1 19 3211 1 1 5 LYS HE3 H 4.099 -9.432 7.637 1.00 . A A . 5 LYS HE3 1 1 19 3212 1 1 5 LYS HG2 H 3.376 -6.791 5.332 1.00 . A A . 5 LYS HG2 1 1 19 3213 1 1 5 LYS HG3 H 3.878 -7.901 4.055 1.00 . A A . 5 LYS HG3 1 1 19 3214 1 1 5 LYS HZ1 H 3.540 -6.988 8.002 1.00 . A A . 5 LYS HZ1 1 1 19 3215 1 1 5 LYS N N 6.676 -4.483 5.251 1.00 . A A . 5 LYS N 1 1 19 3216 1 1 5 LYS NZ N 2.982 -7.679 7.583 1.00 . A A . 5 LYS NZ 1 1 19 3217 1 1 5 LYS O O 3.781 -5.268 7.136 1.00 . A A . 5 LYS O 1 1 19 3218 1 1 6 PHE C C 4.822 -5.041 9.655 1.00 . A A . 6 PHE C 1 1 19 3219 1 1 6 PHE CA C 5.703 -6.083 8.970 1.00 . A A . 6 PHE CA 1 1 19 3220 1 1 6 PHE CB C 7.034 -6.204 9.714 1.00 . A A . 6 PHE CB 1 1 19 3221 1 1 6 PHE CD1 C 6.952 -8.601 10.454 1.00 . A A . 6 PHE CD1 1 1 19 3222 1 1 6 PHE CD2 C 7.101 -6.904 12.123 1.00 . A A . 6 PHE CD2 1 1 19 3223 1 1 6 PHE CE1 C 6.947 -9.572 11.437 1.00 . A A . 6 PHE CE1 1 1 19 3224 1 1 6 PHE CE2 C 7.096 -7.871 13.111 1.00 . A A . 6 PHE CE2 1 1 19 3225 1 1 6 PHE CG C 7.029 -7.258 10.785 1.00 . A A . 6 PHE CG 1 1 19 3226 1 1 6 PHE CZ C 7.019 -9.207 12.767 1.00 . A A . 6 PHE CZ 1 1 19 3227 1 1 6 PHE H H 6.846 -5.817 7.207 1.00 . A A . 6 PHE H 1 1 19 3228 1 1 6 PHE HA H 5.199 -7.037 9.003 1.00 . A A . 6 PHE HA 1 1 19 3229 1 1 6 PHE HB2 H 7.812 -6.453 9.008 1.00 . A A . 6 PHE HB2 1 1 19 3230 1 1 6 PHE HB3 H 7.267 -5.257 10.179 1.00 . A A . 6 PHE HB3 1 1 19 3231 1 1 6 PHE HD1 H 6.895 -8.888 9.414 1.00 . A A . 6 PHE HD1 1 1 19 3232 1 1 6 PHE HD2 H 7.161 -5.860 12.393 1.00 . A A . 6 PHE HD2 1 1 19 3233 1 1 6 PHE HE1 H 6.886 -10.616 11.166 1.00 . A A . 6 PHE HE1 1 1 19 3234 1 1 6 PHE HE2 H 7.153 -7.583 14.150 1.00 . A A . 6 PHE HE2 1 1 19 3235 1 1 6 PHE HZ H 7.015 -9.964 13.537 1.00 . A A . 6 PHE HZ 1 1 19 3236 1 1 6 PHE N N 5.936 -5.750 7.567 1.00 . A A . 6 PHE N 1 1 19 3237 1 1 6 PHE O O 3.708 -5.341 10.089 1.00 . A A . 6 PHE O 1 1 19 3238 1 1 7 THR C C 3.544 -2.136 9.473 1.00 . A A . 7 THR C 1 1 19 3239 1 1 7 THR CA C 4.588 -2.743 10.403 1.00 . A A . 7 THR CA 1 1 19 3240 1 1 7 THR CB C 5.527 -1.628 10.899 1.00 . A A . 7 THR CB 1 1 19 3241 1 1 7 THR CG2 C 4.814 -0.725 11.895 1.00 . A A . 7 THR CG2 1 1 19 3242 1 1 7 THR H H 6.224 -3.638 9.401 1.00 . A A . 7 THR H 1 1 19 3243 1 1 7 THR HA H 4.085 -3.166 11.259 1.00 . A A . 7 THR HA 1 1 19 3244 1 1 7 THR HB H 5.833 -1.032 10.052 1.00 . A A . 7 THR HB 1 1 19 3245 1 1 7 THR HG1 H 7.300 -2.492 10.833 1.00 . A A . 7 THR HG1 1 1 19 3246 1 1 7 THR HG21 H 4.164 -0.046 11.364 1.00 . A A . 7 THR HG21 1 1 19 3247 1 1 7 THR HG22 H 5.543 -0.161 12.457 1.00 . A A . 7 THR HG22 1 1 19 3248 1 1 7 THR HG23 H 4.227 -1.329 12.572 1.00 . A A . 7 THR HG23 1 1 19 3249 1 1 7 THR N N 5.329 -3.818 9.758 1.00 . A A . 7 THR N 1 1 19 3250 1 1 7 THR O O 2.503 -1.661 9.926 1.00 . A A . 7 THR O 1 1 19 3251 1 1 7 THR OG1 O 6.689 -2.200 11.513 1.00 . A A . 7 THR OG1 1 1 19 3252 1 1 8 SER C C 1.485 -2.140 7.403 1.00 . A A . 8 SER C 1 1 19 3253 1 1 8 SER CA C 2.893 -1.593 7.192 1.00 . A A . 8 SER CA 1 1 19 3254 1 1 8 SER CB C 3.365 -1.907 5.772 1.00 . A A . 8 SER CB 1 1 19 3255 1 1 8 SER H H 4.667 -2.540 7.867 1.00 . A A . 8 SER H 1 1 19 3256 1 1 8 SER HA H 2.873 -0.522 7.326 1.00 . A A . 8 SER HA 1 1 19 3257 1 1 8 SER HB2 H 3.482 -2.975 5.662 1.00 . A A . 8 SER HB2 1 1 19 3258 1 1 8 SER HB3 H 2.630 -1.552 5.064 1.00 . A A . 8 SER HB3 1 1 19 3259 1 1 8 SER HG H 5.180 -1.898 5.035 1.00 . A A . 8 SER HG 1 1 19 3260 1 1 8 SER N N 3.821 -2.149 8.173 1.00 . A A . 8 SER N 1 1 19 3261 1 1 8 SER O O 0.497 -1.422 7.243 1.00 . A A . 8 SER O 1 1 19 3262 1 1 8 SER OG O 4.605 -1.281 5.494 1.00 . A A . 8 SER OG 1 1 19 3263 1 1 9 GLU C C -0.285 -3.948 9.471 1.00 . A A . 9 GLU C 1 1 19 3264 1 1 9 GLU CA C 0.117 -4.061 8.006 1.00 . A A . 9 GLU CA 1 1 19 3265 1 1 9 GLU CB C 0.172 -5.532 7.591 1.00 . A A . 9 GLU CB 1 1 19 3266 1 1 9 GLU CD C 1.661 -7.569 7.667 1.00 . A A . 9 GLU CD 1 1 19 3267 1 1 9 GLU CG C 1.140 -6.361 8.418 1.00 . A A . 9 GLU CG 1 1 19 3268 1 1 9 GLU H H 2.226 -3.934 7.883 1.00 . A A . 9 GLU H 1 1 19 3269 1 1 9 GLU HA H -0.620 -3.555 7.406 1.00 . A A . 9 GLU HA 1 1 19 3270 1 1 9 GLU HB2 H -0.814 -5.960 7.694 1.00 . A A . 9 GLU HB2 1 1 19 3271 1 1 9 GLU HB3 H 0.474 -5.591 6.556 1.00 . A A . 9 GLU HB3 1 1 19 3272 1 1 9 GLU HG2 H 1.980 -5.741 8.695 1.00 . A A . 9 GLU HG2 1 1 19 3273 1 1 9 GLU HG3 H 0.633 -6.700 9.309 1.00 . A A . 9 GLU HG3 1 1 19 3274 1 1 9 GLU N N 1.403 -3.416 7.769 1.00 . A A . 9 GLU N 1 1 19 3275 1 1 9 GLU O O -1.437 -3.654 9.788 1.00 . A A . 9 GLU O 1 1 19 3276 1 1 9 GLU OE1 O 0.886 -8.392 7.179 1.00 . A A . 9 GLU OE1 1 1 19 3277 1 1 10 PHE C C -0.113 -2.716 12.166 1.00 . A A . 10 PHE C 1 1 19 3278 1 1 10 PHE CA C 0.416 -4.097 11.797 1.00 . A A . 10 PHE CA 1 1 19 3279 1 1 10 PHE CB C 1.692 -4.396 12.585 1.00 . A A . 10 PHE CB 1 1 19 3280 1 1 10 PHE CD1 C 1.974 -6.782 11.858 1.00 . A A . 10 PHE CD1 1 1 19 3281 1 1 10 PHE CD2 C 1.989 -6.299 14.193 1.00 . A A . 10 PHE CD2 1 1 19 3282 1 1 10 PHE CE1 C 2.157 -8.124 12.131 1.00 . A A . 10 PHE CE1 1 1 19 3283 1 1 10 PHE CE2 C 2.172 -7.641 14.472 1.00 . A A . 10 PHE CE2 1 1 19 3284 1 1 10 PHE CG C 1.888 -5.855 12.885 1.00 . A A . 10 PHE CG 1 1 19 3285 1 1 10 PHE CZ C 2.256 -8.554 13.440 1.00 . A A . 10 PHE CZ 1 1 19 3286 1 1 10 PHE H H 1.574 -4.405 10.049 1.00 . A A . 10 PHE H 1 1 19 3287 1 1 10 PHE HA H -0.333 -4.835 12.043 1.00 . A A . 10 PHE HA 1 1 19 3288 1 1 10 PHE HB2 H 2.544 -4.057 12.018 1.00 . A A . 10 PHE HB2 1 1 19 3289 1 1 10 PHE HB3 H 1.657 -3.865 13.525 1.00 . A A . 10 PHE HB3 1 1 19 3290 1 1 10 PHE HD1 H 1.897 -6.446 10.834 1.00 . A A . 10 PHE HD1 1 1 19 3291 1 1 10 PHE HD2 H 1.923 -5.586 15.002 1.00 . A A . 10 PHE HD2 1 1 19 3292 1 1 10 PHE HE1 H 2.222 -8.836 11.322 1.00 . A A . 10 PHE HE1 1 1 19 3293 1 1 10 PHE HE2 H 2.249 -7.974 15.497 1.00 . A A . 10 PHE HE2 1 1 19 3294 1 1 10 PHE HZ H 2.399 -9.603 13.655 1.00 . A A . 10 PHE HZ 1 1 19 3295 1 1 10 PHE N N 0.673 -4.179 10.363 1.00 . A A . 10 PHE N 1 1 19 3296 1 1 10 PHE O O -0.975 -2.579 13.035 1.00 . A A . 10 PHE O 1 1 19 3297 1 1 11 . C C -0.528 0.320 10.453 1.00 . A A . 11 PH8 C 1 1 19 3298 1 1 11 . CA C -0.009 -0.321 11.737 1.00 . A A . 11 PH8 CA 1 1 19 3299 1 1 11 . CB C 1.158 0.498 12.294 1.00 . A A . 11 PH8 CB 1 1 19 3300 1 1 11 . CD1 C -0.960 4.477 13.850 1.00 . A A . 11 PH8 CD1 1 1 19 3301 1 1 11 . CD2 C 0.690 4.949 12.194 1.00 . A A . 11 PH8 CD2 1 1 19 3302 1 1 11 . CE1 C -0.919 5.793 14.270 1.00 . A A . 11 PH8 CE1 1 1 19 3303 1 1 11 . CE2 C 0.735 6.266 12.610 1.00 . A A . 11 PH8 CE2 1 1 19 3304 1 1 11 . CG C -0.157 4.040 12.809 1.00 . A A . 11 PH8 CG 1 1 19 3305 1 1 11 . CI C 0.721 1.688 13.133 1.00 . A A . 11 PH8 CI 1 1 19 3306 1 1 11 . CJ C -0.205 2.609 12.355 1.00 . A A . 11 PH8 CJ 1 1 19 3307 1 1 11 . CZ C -0.070 6.689 13.649 1.00 . A A . 11 PH8 CZ 1 1 19 3308 1 1 11 . HA H -0.806 -0.339 12.465 1.00 . A A . 11 PH8 HA 1 1 19 3309 1 1 11 . HB H 1.771 -0.144 12.910 1.00 . A A . 11 PH8 HB 1 1 19 3310 1 1 11 . HBA H 1.751 0.865 11.470 1.00 . A A . 11 PH8 HBA 1 1 19 3311 1 1 11 . HD1 H -1.623 3.778 14.337 1.00 . A A . 11 PH8 HD1 1 1 19 3312 1 1 11 . HD2 H 1.321 4.619 11.382 1.00 . A A . 11 PH8 HD2 1 1 19 3313 1 1 11 . HE1 H -1.551 6.121 15.083 1.00 . A A . 11 PH8 HE1 1 1 19 3314 1 1 11 . HE2 H 1.400 6.964 12.123 1.00 . A A . 11 PH8 HE2 1 1 19 3315 1 1 11 . HI H 0.201 1.327 14.009 1.00 . A A . 11 PH8 HI 1 1 19 3316 1 1 11 . HIA H 1.596 2.244 13.435 1.00 . A A . 11 PH8 HIA 1 1 19 3317 1 1 11 . HJ H -1.219 2.256 12.467 1.00 . A A . 11 PH8 HJ 1 1 19 3318 1 1 11 . HJA H 0.073 2.578 11.312 1.00 . A A . 11 PH8 HJA 1 1 19 3319 1 1 11 . HN H 1.088 -1.875 10.811 1.00 . A A . 11 PH8 HN 1 1 19 3320 1 1 11 . HZ H -0.037 7.718 13.976 1.00 . A A . 11 PH8 HZ 1 1 19 3321 1 1 11 . N N 0.408 -1.696 11.493 1.00 . A A . 11 PH8 N 1 1 19 3322 1 1 11 . O O -1.515 1.056 10.469 1.00 . A A . 11 PH8 O 1 1 19 3323 1 1 12 NH2 HN1 H 0.911 -0.562 9.401 1.00 . A A . 12 NH2 HN1 1 1 19 3324 1 1 12 NH2 HN2 H -0.183 0.418 8.495 1.00 . A A . 12 NH2 HN2 1 1 19 3325 1 1 12 NH2 N N 0.134 0.031 9.337 1.00 . A A . 12 NH2 N 1 1 20 3326 1 1 1 HIS C C 10.081 -8.867 2.153 1.00 . A A . 1 HIS C 1 1 20 3327 1 1 1 HIS CA C 11.360 -9.049 1.341 1.00 . A A . 1 HIS CA 1 1 20 3328 1 1 1 HIS CB C 12.447 -8.094 1.841 1.00 . A A . 1 HIS CB 1 1 20 3329 1 1 1 HIS CD2 C 13.978 -10.098 2.455 1.00 . A A . 1 HIS CD2 1 1 20 3330 1 1 1 HIS CE1 C 15.487 -9.005 3.610 1.00 . A A . 1 HIS CE1 1 1 20 3331 1 1 1 HIS CG C 13.619 -8.792 2.461 1.00 . A A . 1 HIS CG 1 1 20 3332 1 1 1 HIS H1 H 11.161 -7.758 -0.286 1.00 . A A . 1 HIS H1 1 1 20 3333 1 1 1 HIS H2 H 10.186 -9.137 -0.381 1.00 . A A . 1 HIS H2 1 1 20 3334 1 1 1 HIS H3 H 11.847 -9.255 -0.677 1.00 . A A . 1 HIS H3 1 1 20 3335 1 1 1 HIS HA H 11.703 -10.067 1.449 1.00 . A A . 1 HIS HA 1 1 20 3336 1 1 1 HIS HB2 H 12.812 -7.509 1.010 1.00 . A A . 1 HIS HB2 1 1 20 3337 1 1 1 HIS HB3 H 12.024 -7.431 2.582 1.00 . A A . 1 HIS HB3 1 1 20 3338 1 1 1 HIS HD1 H 14.607 -7.172 3.379 1.00 . A A . 1 HIS HD1 1 1 20 3339 1 1 1 HIS HD2 H 13.447 -10.907 1.973 1.00 . A A . 1 HIS HD2 1 1 20 3340 1 1 1 HIS HE1 H 16.359 -8.775 4.205 1.00 . A A . 1 HIS HE1 1 1 20 3341 1 1 1 HIS HE2 H 15.681 -11.015 3.271 1.00 . A A . 1 HIS HE2 1 1 20 3342 1 1 1 HIS N N 11.122 -8.781 -0.101 1.00 . A A . 1 HIS N 1 1 20 3343 1 1 1 HIS ND1 N 14.585 -8.134 3.193 1.00 . A A . 1 HIS ND1 1 1 20 3344 1 1 1 HIS NE2 N 15.142 -10.203 3.176 1.00 . A A . 1 HIS NE2 1 1 20 3345 1 1 1 HIS O O 9.846 -9.580 3.128 1.00 . A A . 1 HIS O 1 1 20 3346 1 1 2 ABA C C 8.276 -7.256 3.892 1.00 . A A . 2 AIB C 1 1 20 3347 1 1 2 ABA CA C 7.996 -7.627 2.433 1.00 . A A . 2 AIB CA 1 1 20 3348 1 1 2 ABA H H 9.502 -7.372 0.959 1.00 . A A . 2 AIB H 1 1 20 3349 1 1 2 ABA N N 9.258 -7.907 1.743 1.00 . A A . 2 AIB N 1 1 20 3350 1 1 2 ABA O O 7.411 -7.405 4.755 1.00 . A A . 2 AIB O 1 1 20 3351 1 1 3 GLU C C 9.094 -5.150 5.964 1.00 . A A . 3 GLU C 1 1 20 3352 1 1 3 GLU CA C 9.871 -6.382 5.510 1.00 . A A . 3 GLU CA 1 1 20 3353 1 1 3 GLU CB C 11.374 -6.104 5.575 1.00 . A A . 3 GLU CB 1 1 20 3354 1 1 3 GLU CD C 12.715 -8.060 6.445 1.00 . A A . 3 GLU CD 1 1 20 3355 1 1 3 GLU CG C 12.230 -7.309 5.221 1.00 . A A . 3 GLU CG 1 1 20 3356 1 1 3 GLU H H 10.134 -6.673 3.431 1.00 . A A . 3 GLU H 1 1 20 3357 1 1 3 GLU HA H 9.637 -7.203 6.171 1.00 . A A . 3 GLU HA 1 1 20 3358 1 1 3 GLU HB2 H 11.610 -5.306 4.887 1.00 . A A . 3 GLU HB2 1 1 20 3359 1 1 3 GLU HB3 H 11.627 -5.791 6.577 1.00 . A A . 3 GLU HB3 1 1 20 3360 1 1 3 GLU HG2 H 11.647 -7.983 4.612 1.00 . A A . 3 GLU HG2 1 1 20 3361 1 1 3 GLU HG3 H 13.089 -6.971 4.660 1.00 . A A . 3 GLU HG3 1 1 20 3362 1 1 3 GLU N N 9.486 -6.772 4.159 1.00 . A A . 3 GLU N 1 1 20 3363 1 1 3 GLU O O 8.866 -4.953 7.158 1.00 . A A . 3 GLU O 1 1 20 3364 1 1 3 GLU OE1 O 12.816 -7.436 7.523 1.00 . A A . 3 GLU OE1 1 1 20 3365 1 1 3 GLU OE2 O 12.994 -9.271 6.327 1.00 . A A . 3 GLU OE2 1 1 20 3366 1 1 4 GLY C C 6.471 -3.392 5.551 1.00 . A A . 4 GLY C 1 1 20 3367 1 1 4 GLY CA C 7.946 -3.122 5.329 1.00 . A A . 4 GLY CA 1 1 20 3368 1 1 4 GLY H H 8.902 -4.530 4.071 1.00 . A A . 4 GLY H 1 1 20 3369 1 1 4 GLY HA2 H 8.359 -2.687 6.227 1.00 . A A . 4 GLY HA2 1 1 20 3370 1 1 4 GLY HA3 H 8.053 -2.416 4.518 1.00 . A A . 4 GLY HA3 1 1 20 3371 1 1 4 GLY N N 8.691 -4.323 5.005 1.00 . A A . 4 GLY N 1 1 20 3372 1 1 4 GLY O O 5.788 -2.619 6.223 1.00 . A A . 4 GLY O 1 1 20 3373 1 1 5 LYS C C 4.237 -5.174 6.581 1.00 . A A . 5 LYS C 1 1 20 3374 1 1 5 LYS CA C 4.569 -4.849 5.130 1.00 . A A . 5 LYS CA 1 1 20 3375 1 1 5 LYS CB C 4.226 -6.048 4.243 1.00 . A A . 5 LYS CB 1 1 20 3376 1 1 5 LYS CD C 2.592 -7.795 5.037 1.00 . A A . 5 LYS CD 1 1 20 3377 1 1 5 LYS CE C 2.356 -7.614 6.531 1.00 . A A . 5 LYS CE 1 1 20 3378 1 1 5 LYS CG C 2.764 -6.462 4.321 1.00 . A A . 5 LYS CG 1 1 20 3379 1 1 5 LYS H H 6.566 -5.068 4.460 1.00 . A A . 5 LYS H 1 1 20 3380 1 1 5 LYS HA H 3.977 -4.002 4.818 1.00 . A A . 5 LYS HA 1 1 20 3381 1 1 5 LYS HB2 H 4.453 -5.798 3.216 1.00 . A A . 5 LYS HB2 1 1 20 3382 1 1 5 LYS HB3 H 4.834 -6.889 4.542 1.00 . A A . 5 LYS HB3 1 1 20 3383 1 1 5 LYS HD2 H 1.745 -8.312 4.611 1.00 . A A . 5 LYS HD2 1 1 20 3384 1 1 5 LYS HD3 H 3.484 -8.386 4.892 1.00 . A A . 5 LYS HD3 1 1 20 3385 1 1 5 LYS HE2 H 1.967 -8.537 6.933 1.00 . A A . 5 LYS HE2 1 1 20 3386 1 1 5 LYS HE3 H 3.297 -7.388 7.004 1.00 . A A . 5 LYS HE3 1 1 20 3387 1 1 5 LYS HG2 H 2.214 -5.703 4.857 1.00 . A A . 5 LYS HG2 1 1 20 3388 1 1 5 LYS HG3 H 2.372 -6.549 3.318 1.00 . A A . 5 LYS HG3 1 1 20 3389 1 1 5 LYS HZ1 H 1.681 -5.845 7.459 1.00 . A A . 5 LYS HZ1 1 1 20 3390 1 1 5 LYS N N 5.975 -4.489 4.985 1.00 . A A . 5 LYS N 1 1 20 3391 1 1 5 LYS NZ N 1.408 -6.539 6.816 1.00 . A A . 5 LYS NZ 1 1 20 3392 1 1 5 LYS O O 3.209 -4.741 7.102 1.00 . A A . 5 LYS O 1 1 20 3393 1 1 6 PHE C C 4.328 -5.215 9.452 1.00 . A A . 6 PHE C 1 1 20 3394 1 1 6 PHE CA C 4.921 -6.348 8.620 1.00 . A A . 6 PHE CA 1 1 20 3395 1 1 6 PHE CB C 6.252 -6.794 9.228 1.00 . A A . 6 PHE CB 1 1 20 3396 1 1 6 PHE CD1 C 5.863 -7.261 11.663 1.00 . A A . 6 PHE CD1 1 1 20 3397 1 1 6 PHE CD2 C 6.182 -9.110 10.192 1.00 . A A . 6 PHE CD2 1 1 20 3398 1 1 6 PHE CE1 C 5.720 -8.129 12.729 1.00 . A A . 6 PHE CE1 1 1 20 3399 1 1 6 PHE CE2 C 6.039 -9.984 11.254 1.00 . A A . 6 PHE CE2 1 1 20 3400 1 1 6 PHE CG C 6.096 -7.741 10.384 1.00 . A A . 6 PHE CG 1 1 20 3401 1 1 6 PHE CZ C 5.808 -9.492 12.524 1.00 . A A . 6 PHE CZ 1 1 20 3402 1 1 6 PHE H H 5.908 -6.261 6.747 1.00 . A A . 6 PHE H 1 1 20 3403 1 1 6 PHE HA H 4.236 -7.182 8.634 1.00 . A A . 6 PHE HA 1 1 20 3404 1 1 6 PHE HB2 H 6.838 -7.291 8.469 1.00 . A A . 6 PHE HB2 1 1 20 3405 1 1 6 PHE HB3 H 6.789 -5.925 9.578 1.00 . A A . 6 PHE HB3 1 1 20 3406 1 1 6 PHE HD1 H 5.795 -6.195 11.825 1.00 . A A . 6 PHE HD1 1 1 20 3407 1 1 6 PHE HD2 H 6.364 -9.496 9.200 1.00 . A A . 6 PHE HD2 1 1 20 3408 1 1 6 PHE HE1 H 5.539 -7.742 13.721 1.00 . A A . 6 PHE HE1 1 1 20 3409 1 1 6 PHE HE2 H 6.108 -11.049 11.091 1.00 . A A . 6 PHE HE2 1 1 20 3410 1 1 6 PHE HZ H 5.695 -10.173 13.355 1.00 . A A . 6 PHE HZ 1 1 20 3411 1 1 6 PHE N N 5.112 -5.947 7.225 1.00 . A A . 6 PHE N 1 1 20 3412 1 1 6 PHE O O 3.281 -5.375 10.082 1.00 . A A . 6 PHE O 1 1 20 3413 1 1 7 THR C C 3.487 -2.127 9.440 1.00 . A A . 7 THR C 1 1 20 3414 1 1 7 THR CA C 4.537 -2.921 10.210 1.00 . A A . 7 THR CA 1 1 20 3415 1 1 7 THR CB C 5.701 -1.987 10.590 1.00 . A A . 7 THR CB 1 1 20 3416 1 1 7 THR CG2 C 5.525 -1.450 12.002 1.00 . A A . 7 THR CG2 1 1 20 3417 1 1 7 THR H H 5.829 -4.002 8.931 1.00 . A A . 7 THR H 1 1 20 3418 1 1 7 THR HA H 4.087 -3.292 11.118 1.00 . A A . 7 THR HA 1 1 20 3419 1 1 7 THR HB H 5.715 -1.154 9.902 1.00 . A A . 7 THR HB 1 1 20 3420 1 1 7 THR HG1 H 7.535 -2.221 9.901 1.00 . A A . 7 THR HG1 1 1 20 3421 1 1 7 THR HG21 H 5.073 -0.470 11.961 1.00 . A A . 7 THR HG21 1 1 20 3422 1 1 7 THR HG22 H 6.488 -1.382 12.485 1.00 . A A . 7 THR HG22 1 1 20 3423 1 1 7 THR HG23 H 4.887 -2.117 12.564 1.00 . A A . 7 THR HG23 1 1 20 3424 1 1 7 THR N N 5.001 -4.072 9.451 1.00 . A A . 7 THR N 1 1 20 3425 1 1 7 THR O O 2.705 -1.386 10.033 1.00 . A A . 7 THR O 1 1 20 3426 1 1 7 THR OG1 O 6.945 -2.691 10.495 1.00 . A A . 7 THR OG1 1 1 20 3427 1 1 8 SER C C 1.077 -1.904 7.749 1.00 . A A . 8 SER C 1 1 20 3428 1 1 8 SER CA C 2.495 -1.583 7.292 1.00 . A A . 8 SER CA 1 1 20 3429 1 1 8 SER CB C 2.668 -1.966 5.822 1.00 . A A . 8 SER CB 1 1 20 3430 1 1 8 SER H H 4.107 -2.895 7.698 1.00 . A A . 8 SER H 1 1 20 3431 1 1 8 SER HA H 2.668 -0.523 7.405 1.00 . A A . 8 SER HA 1 1 20 3432 1 1 8 SER HB2 H 2.231 -1.201 5.200 1.00 . A A . 8 SER HB2 1 1 20 3433 1 1 8 SER HB3 H 3.721 -2.056 5.596 1.00 . A A . 8 SER HB3 1 1 20 3434 1 1 8 SER HG H 1.960 -3.313 4.588 1.00 . A A . 8 SER HG 1 1 20 3435 1 1 8 SER N N 3.465 -2.288 8.121 1.00 . A A . 8 SER N 1 1 20 3436 1 1 8 SER O O 0.204 -1.035 7.765 1.00 . A A . 8 SER O 1 1 20 3437 1 1 8 SER OG O 2.034 -3.201 5.538 1.00 . A A . 8 SER OG 1 1 20 3438 1 1 9 GLU C C -0.560 -3.475 10.100 1.00 . A A . 9 GLU C 1 1 20 3439 1 1 9 GLU CA C -0.445 -3.611 8.587 1.00 . A A . 9 GLU CA 1 1 20 3440 1 1 9 GLU CB C -0.681 -5.062 8.170 1.00 . A A . 9 GLU CB 1 1 20 3441 1 1 9 GLU CD C 0.208 -6.453 6.254 1.00 . A A . 9 GLU CD 1 1 20 3442 1 1 9 GLU CG C -0.643 -5.270 6.665 1.00 . A A . 9 GLU CG 1 1 20 3443 1 1 9 GLU H H 1.601 -3.802 8.090 1.00 . A A . 9 GLU H 1 1 20 3444 1 1 9 GLU HA H -1.192 -2.987 8.126 1.00 . A A . 9 GLU HA 1 1 20 3445 1 1 9 GLU HB2 H 0.080 -5.684 8.618 1.00 . A A . 9 GLU HB2 1 1 20 3446 1 1 9 GLU HB3 H -1.649 -5.376 8.531 1.00 . A A . 9 GLU HB3 1 1 20 3447 1 1 9 GLU HG2 H -1.648 -5.435 6.315 1.00 . A A . 9 GLU HG2 1 1 20 3448 1 1 9 GLU HG3 H -0.243 -4.380 6.202 1.00 . A A . 9 GLU HG3 1 1 20 3449 1 1 9 GLU N N 0.861 -3.161 8.124 1.00 . A A . 9 GLU N 1 1 20 3450 1 1 9 GLU O O -1.587 -3.036 10.617 1.00 . A A . 9 GLU O 1 1 20 3451 1 1 9 GLU OE1 O -0.311 -7.507 5.884 1.00 . A A . 9 GLU OE1 1 1 20 3452 1 1 10 PHE C C 0.366 -2.305 12.704 1.00 . A A . 10 PHE C 1 1 20 3453 1 1 10 PHE CA C 0.515 -3.757 12.260 1.00 . A A . 10 PHE CA 1 1 20 3454 1 1 10 PHE CB C 1.809 -4.351 12.823 1.00 . A A . 10 PHE CB 1 1 20 3455 1 1 10 PHE CD1 C 0.847 -5.360 14.909 1.00 . A A . 10 PHE CD1 1 1 20 3456 1 1 10 PHE CD2 C 2.102 -6.764 13.445 1.00 . A A . 10 PHE CD2 1 1 20 3457 1 1 10 PHE CE1 C 0.636 -6.430 15.758 1.00 . A A . 10 PHE CE1 1 1 20 3458 1 1 10 PHE CE2 C 1.894 -7.837 14.290 1.00 . A A . 10 PHE CE2 1 1 20 3459 1 1 10 PHE CG C 1.581 -5.515 13.744 1.00 . A A . 10 PHE CG 1 1 20 3460 1 1 10 PHE CZ C 1.160 -7.669 15.449 1.00 . A A . 10 PHE CZ 1 1 20 3461 1 1 10 PHE H H 1.294 -4.184 10.335 1.00 . A A . 10 PHE H 1 1 20 3462 1 1 10 PHE HA H -0.325 -4.323 12.635 1.00 . A A . 10 PHE HA 1 1 20 3463 1 1 10 PHE HB2 H 2.426 -4.690 12.005 1.00 . A A . 10 PHE HB2 1 1 20 3464 1 1 10 PHE HB3 H 2.339 -3.588 13.374 1.00 . A A . 10 PHE HB3 1 1 20 3465 1 1 10 PHE HD1 H 0.436 -4.391 15.151 1.00 . A A . 10 PHE HD1 1 1 20 3466 1 1 10 PHE HD2 H 2.676 -6.896 12.540 1.00 . A A . 10 PHE HD2 1 1 20 3467 1 1 10 PHE HE1 H 0.062 -6.296 16.663 1.00 . A A . 10 PHE HE1 1 1 20 3468 1 1 10 PHE HE2 H 2.305 -8.805 14.046 1.00 . A A . 10 PHE HE2 1 1 20 3469 1 1 10 PHE HZ H 0.996 -8.507 16.111 1.00 . A A . 10 PHE HZ 1 1 20 3470 1 1 10 PHE N N 0.502 -3.847 10.805 1.00 . A A . 10 PHE N 1 1 20 3471 1 1 10 PHE O O -0.371 -2.002 13.642 1.00 . A A . 10 PHE O 1 1 20 3472 1 1 11 . C C 0.377 0.792 11.185 1.00 . A A . 11 PH8 C 1 1 20 3473 1 1 11 . CA C 1.022 0.010 12.327 1.00 . A A . 11 PH8 CA 1 1 20 3474 1 1 11 . CB C 2.430 0.543 12.595 1.00 . A A . 11 PH8 CB 1 1 20 3475 1 1 11 . CD1 C 3.090 -1.178 16.926 1.00 . A A . 11 PH8 CD1 1 1 20 3476 1 1 11 . CD2 C 4.863 -2.032 15.579 1.00 . A A . 11 PH8 CD2 1 1 20 3477 1 1 11 . CE1 C 3.809 -1.477 18.068 1.00 . A A . 11 PH8 CE1 1 1 20 3478 1 1 11 . CE2 C 5.587 -2.332 16.717 1.00 . A A . 11 PH8 CE2 1 1 20 3479 1 1 11 . CG C 3.608 -1.452 15.670 1.00 . A A . 11 PH8 CG 1 1 20 3480 1 1 11 . CI C 2.896 0.337 14.027 1.00 . A A . 11 PH8 CI 1 1 20 3481 1 1 11 . CJ C 2.824 -1.127 14.431 1.00 . A A . 11 PH8 CJ 1 1 20 3482 1 1 11 . CZ C 5.059 -2.054 17.963 1.00 . A A . 11 PH8 CZ 1 1 20 3483 1 1 11 . HA H 0.423 0.136 13.216 1.00 . A A . 11 PH8 HA 1 1 20 3484 1 1 11 . HB H 3.124 0.041 11.938 1.00 . A A . 11 PH8 HB 1 1 20 3485 1 1 11 . HBA H 2.449 1.602 12.382 1.00 . A A . 11 PH8 HBA 1 1 20 3486 1 1 11 . HD1 H 2.112 -0.727 17.009 1.00 . A A . 11 PH8 HD1 1 1 20 3487 1 1 11 . HD2 H 5.277 -2.249 14.605 1.00 . A A . 11 PH8 HD2 1 1 20 3488 1 1 11 . HE1 H 3.394 -1.258 19.040 1.00 . A A . 11 PH8 HE1 1 1 20 3489 1 1 11 . HE2 H 6.565 -2.784 16.633 1.00 . A A . 11 PH8 HE2 1 1 20 3490 1 1 11 . HI H 3.918 0.675 14.115 1.00 . A A . 11 PH8 HI 1 1 20 3491 1 1 11 . HIA H 2.265 0.914 14.687 1.00 . A A . 11 PH8 HIA 1 1 20 3492 1 1 11 . HJ H 3.210 -1.729 13.622 1.00 . A A . 11 PH8 HJ 1 1 20 3493 1 1 11 . HJA H 1.791 -1.386 14.610 1.00 . A A . 11 PH8 HJA 1 1 20 3494 1 1 11 . HN H 1.637 -1.721 11.278 1.00 . A A . 11 PH8 HN 1 1 20 3495 1 1 11 . HZ H 5.623 -2.288 18.854 1.00 . A A . 11 PH8 HZ 1 1 20 3496 1 1 11 . N N 1.071 -1.413 12.016 1.00 . A A . 11 PH8 N 1 1 20 3497 1 1 11 . O O -0.260 1.822 11.406 1.00 . A A . 11 PH8 O 1 1 20 3498 1 1 12 NH2 HN1 H 1.059 -0.526 9.860 1.00 . A A . 12 NH2 HN1 1 1 20 3499 1 1 12 NH2 HN2 H 0.131 0.777 9.210 1.00 . A A . 12 NH2 HN2 1 1 20 3500 1 1 12 NH2 N N 0.539 0.297 9.961 1.00 . A A . 12 NH2 N 1 1 stop_ save_
Contact the webmaster for help, if required. Saturday, June 1, 2024 2:50:32 AM GMT (wattos1)