NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
597868 | 2n0v | 25537 | cing | 4-filtered-FRED | STAR | entry | full | 68 |
data_FRED_restraints_with_modified_coordinates_PDB_code_2n0v # This FRED archive file contains, for PDB entry <2n0v>: # # - 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_2n0v _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 2n0v _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "not present" _Assembly.Molecular_mass 877.02 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 $Antimicrobial_peptide_1 A . 1 1 stop_ save_ save_Antimicrobial_peptide_1 _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name "Antimicrobial peptide 1" _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code SVAGRAQGMX _Entity.Number_of_monomers 10 loop_ _Entity_comp_index.ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 SER . 1 1 2 VAL . 1 1 3 ALA . 1 1 4 GLY . 1 1 5 ARG . 1 1 6 ALA . 1 1 7 GLN . 1 1 8 GLY . 1 1 9 MET . 1 1 10 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 SER 1 1 1 1 VAL 2 2 1 1 ALA 3 3 1 1 GLY 4 4 1 1 ARG 5 5 1 1 ALA 6 6 1 1 GLN 7 7 1 1 GLY 8 8 1 1 MET 9 9 1 1 NH2 10 10 1 1 stop_ save_ save_NH2 _Chem_comp.Sf_category chem_comp _Chem_comp.Entry_ID 1 _Chem_comp.ID NH2 _Chem_comp.Type non-polymer save_ save_CNS/XPLOR_distance_constraints_2_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID . _Distance_constraint_list.Block_ID . loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . 1 1 2 1 . . . 1 1 3 1 . . . 1 1 4 1 . . . 1 1 5 1 . . . 1 1 6 1 . . . 1 1 7 1 . . . 1 1 8 1 . . . 1 1 9 1 . . . 1 1 10 1 . . . 1 1 11 1 . . . 1 1 12 1 . . . 1 1 13 1 . . . 1 1 14 1 . . . 1 1 15 1 . . . 1 1 16 1 . . . 1 1 17 1 . . . 1 1 18 1 . . . 1 1 19 1 . . . 1 1 20 1 . . . 1 1 21 1 . . . 1 1 22 1 . . . 1 1 23 1 . . . 1 1 24 1 . . . 1 1 25 1 . . . 1 1 26 1 . . . 1 1 27 1 . . . 1 1 28 1 . . . 1 1 29 1 . . . 1 1 30 1 . . . 1 1 31 1 . . . 1 1 32 1 . . . 1 1 33 1 . . . 1 1 34 1 . . . 1 1 35 1 . . . 1 1 36 1 . . . 1 1 37 1 . . . 1 1 38 1 . . . 1 1 39 1 . . . 1 1 40 1 . . . 1 1 41 1 . . . 1 1 42 1 . . . 1 1 43 1 . . . 1 1 44 1 . . . 1 1 45 1 . . . 1 1 46 1 . . . 1 1 47 1 . . . 1 1 48 1 . . . 1 1 49 1 . . . 1 1 50 1 . . . 1 1 51 1 . . . 1 1 52 1 . . . 1 1 53 1 . . . 1 1 54 1 . . . 1 1 55 1 . . . 1 1 56 1 . . . 1 1 57 1 . . . 1 1 58 1 . . . 1 1 59 1 . . . 1 1 60 1 . . . 1 1 61 1 . . . 1 1 62 1 . . . 1 1 63 1 . . . 1 1 64 1 . . . 1 1 65 1 . . . 1 1 66 1 . . . 1 1 67 1 . . . 1 1 68 1 . . . 1 1 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 1 1 1 SER H1 . 1 . HT# 1 1 1 1 2 1 1 1 SER HA . 1 . HA 1 1 2 1 1 1 1 1 SER HA . 1 . HA 1 1 2 1 2 1 1 2 VAL H . 2 . HN 1 1 3 1 1 1 1 1 SER HA . 1 . HA 1 1 3 1 2 1 1 3 ALA H . 3 . HN 1 1 4 1 1 1 1 1 SER HA . 1 . HA 1 1 4 1 2 1 1 4 GLY H . 4 . HN 1 1 5 1 1 1 1 1 SER HA . 1 . HA 1 1 5 1 2 1 1 5 ARG H . 5 . HN 1 1 6 1 1 1 1 1 SER QB . 1 . HB# 1 1 6 1 2 1 1 2 VAL H . 2 . HN 1 1 7 1 1 1 1 1 SER QB . 1 . HB# 1 1 7 1 2 1 1 2 VAL HB . 2 . HB 1 1 8 1 1 1 1 1 SER QB . 1 . HB# 1 1 8 1 2 1 1 3 ALA H . 3 . HN 1 1 9 1 1 1 1 1 SER QB . 1 . HB# 1 1 9 1 2 1 1 3 ALA MB . 3 . HB# 1 1 10 1 1 1 1 1 SER QB . 1 . HB# 1 1 10 1 2 1 1 4 GLY H . 4 . HN 1 1 11 1 1 1 1 1 SER HG . 1 . HG 1 1 11 1 2 1 1 2 VAL H . 2 . HN 1 1 12 1 1 1 1 1 SER HG . 1 . HG 1 1 12 1 2 1 1 3 ALA H . 3 . HN 1 1 13 1 1 1 1 1 SER HG . 1 . HG 1 1 13 1 2 1 1 4 GLY H . 4 . HN 1 1 14 1 1 1 1 2 VAL H . 2 . HN 1 1 14 1 2 1 1 2 VAL HB . 2 . HB 1 1 15 1 1 1 1 2 VAL H . 2 . HN 1 1 15 1 2 1 1 2 VAL QG . 2 . HG## 1 1 16 1 1 1 1 2 VAL H . 2 . HN 1 1 16 1 2 1 1 3 ALA H . 3 . HN 1 1 17 1 1 1 1 2 VAL HA . 2 . HA 1 1 17 1 2 1 1 3 ALA H . 3 . HN 1 1 18 1 1 1 1 2 VAL HA . 2 . HA 1 1 18 1 2 1 1 4 GLY H . 4 . HN 1 1 19 1 1 1 1 2 VAL HA . 2 . HA 1 1 19 1 2 1 1 5 ARG H . 5 . HN 1 1 20 1 1 1 1 2 VAL HA . 2 . HA 1 1 20 1 2 1 1 6 ALA H . 6 . HN 1 1 21 1 1 1 1 2 VAL HB . 2 . HB 1 1 21 1 2 1 1 3 ALA H . 3 . HN 1 1 22 1 1 1 1 2 VAL HB . 2 . HB 1 1 22 1 2 1 1 4 GLY H . 4 . HN 1 1 23 1 1 1 1 2 VAL QG . 2 . HG## 1 1 23 1 2 1 1 3 ALA H . 3 . HN 1 1 24 1 1 1 1 2 VAL QG . 2 . HG## 1 1 24 1 2 1 1 4 GLY H . 4 . HN 1 1 25 1 1 1 1 3 ALA H . 3 . HN 1 1 25 1 2 1 1 3 ALA HA . 3 . HA 1 1 26 1 1 1 1 3 ALA H . 3 . HN 1 1 26 1 2 1 1 3 ALA MB . 3 . HB# 1 1 27 1 1 1 1 3 ALA H . 3 . HN 1 1 27 1 2 1 1 4 GLY H . 4 . HN 1 1 28 1 1 1 1 3 ALA H . 3 . HN 1 1 28 1 2 1 1 6 ALA H . 6 . HN 1 1 29 1 1 1 1 3 ALA HA . 3 . HA 1 1 29 1 2 1 1 4 GLY H . 4 . HN 1 1 30 1 1 1 1 3 ALA HA . 3 . HA 1 1 30 1 2 1 1 5 ARG H . 5 . HN 1 1 31 1 1 1 1 3 ALA HA . 3 . HA 1 1 31 1 2 1 1 6 ALA H . 6 . HN 1 1 32 1 1 1 1 3 ALA HA . 3 . HA 1 1 32 1 2 1 1 7 GLN H . 7 . HN 1 1 33 1 1 1 1 3 ALA MB . 3 . HB# 1 1 33 1 2 1 1 5 ARG H . 5 . HN 1 1 34 1 1 1 1 4 GLY H . 4 . HN 1 1 34 1 2 1 1 5 ARG H . 5 . HN 1 1 35 1 1 1 1 4 GLY H . 4 . HN 1 1 35 1 2 1 1 6 ALA MB . 6 . HB# 1 1 36 1 1 1 1 4 GLY QA . 4 . HA# 1 1 36 1 2 1 1 5 ARG H . 5 . HN 1 1 37 1 1 1 1 4 GLY QA . 4 . HA# 1 1 37 1 2 1 1 6 ALA H . 6 . HN 1 1 38 1 1 1 1 4 GLY QA . 4 . HA# 1 1 38 1 2 1 1 8 GLY H . 8 . HN 1 1 39 1 1 1 1 5 ARG H . 5 . HN 1 1 39 1 2 1 1 6 ALA H . 6 . HN 1 1 40 1 1 1 1 5 ARG H . 5 . HN 1 1 40 1 2 1 1 6 ALA MB . 6 . HB# 1 1 41 1 1 1 1 5 ARG HA . 5 . HA 1 1 41 1 2 1 1 5 ARG HE . 5 . HE 1 1 42 1 1 1 1 5 ARG HA . 5 . HA 1 1 42 1 2 1 1 6 ALA H . 6 . HN 1 1 43 1 1 1 1 5 ARG HA . 5 . HA 1 1 43 1 2 1 1 7 GLN H . 7 . HN 1 1 44 1 1 1 1 5 ARG HA . 5 . HA 1 1 44 1 2 1 1 8 GLY H . 8 . HN 1 1 45 1 1 1 1 5 ARG HA . 5 . HA 1 1 45 1 2 1 1 9 MET H . 9 . HN 1 1 46 1 1 1 1 5 ARG QB . 5 . HB# 1 1 46 1 2 1 1 5 ARG HE . 5 . HE 1 1 47 1 1 1 1 5 ARG QB . 5 . HB# 1 1 47 1 2 1 1 6 ALA H . 6 . HN 1 1 48 1 1 1 1 5 ARG QB . 5 . HB# 1 1 48 1 2 1 1 8 GLY H . 8 . HN 1 1 49 1 1 1 1 5 ARG QB . 5 . HB# 1 1 49 1 2 1 1 8 GLY QA . 8 . HA# 1 1 50 1 1 1 1 5 ARG QB . 5 . HB# 1 1 50 1 2 1 1 9 MET H . 9 . HN 1 1 51 1 1 1 1 5 ARG HE . 5 . HE 1 1 51 1 2 1 1 5 ARG QG . 5 . HG# 1 1 52 1 1 1 1 5 ARG QG . 5 . HG# 1 1 52 1 2 1 1 8 GLY QA . 8 . HA# 1 1 53 1 1 1 1 6 ALA H . 6 . HN 1 1 53 1 2 1 1 6 ALA HA . 6 . HA 1 1 54 1 1 1 1 6 ALA H . 6 . HN 1 1 54 1 2 1 1 7 GLN H . 7 . HN 1 1 55 1 1 1 1 6 ALA HA . 6 . HA 1 1 55 1 2 1 1 7 GLN H . 7 . HN 1 1 56 1 1 1 1 6 ALA HA . 6 . HA 1 1 56 1 2 1 1 8 GLY H . 8 . HN 1 1 57 1 1 1 1 6 ALA MB . 6 . HB# 1 1 57 1 2 1 1 8 GLY H . 8 . HN 1 1 58 1 1 1 1 7 GLN H . 7 . HN 1 1 58 1 2 1 1 7 GLN HA . 7 . HA 1 1 59 1 1 1 1 7 GLN H . 7 . HN 1 1 59 1 2 1 1 8 GLY H . 8 . HN 1 1 60 1 1 1 1 7 GLN H . 7 . HN 1 1 60 1 2 1 1 9 MET H . 9 . HN 1 1 61 1 1 1 1 7 GLN HA . 7 . HA 1 1 61 1 2 1 1 8 GLY H . 8 . HN 1 1 62 1 1 1 1 7 GLN HA . 7 . HA 1 1 62 1 2 1 1 9 MET H . 9 . HN 1 1 63 1 1 1 1 7 GLN QB . 7 . HB# 1 1 63 1 2 1 1 8 GLY H . 8 . HN 1 1 64 1 1 1 1 7 GLN QB . 7 . HB# 1 1 64 1 2 1 1 9 MET H . 9 . HN 1 1 65 1 1 1 1 7 GLN QB . 7 . HB# 1 1 65 1 2 1 1 9 MET QG . 9 . HG# 1 1 66 1 1 1 1 7 GLN QG . 7 . HG# 1 1 66 1 2 1 1 9 MET QB . 9 . HB# 1 1 67 1 1 1 1 8 GLY H . 8 . HN 1 1 67 1 2 1 1 9 MET H . 9 . HN 1 1 68 1 1 1 1 8 GLY QA . 8 . HA# 1 1 68 1 2 1 1 9 MET H . 9 . 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 . . . . . 5.0 1.8 5.5 1 1 2 1 . . . . . 3.4 1.8 3.9 1 1 3 1 . . . . . 5.0 1.8 5.5 1 1 4 1 . . . . . 5.0 1.8 5.5 1 1 5 1 . . . . . 5.0 1.8 5.5 1 1 6 1 . . . . . 3.4 1.8 3.9 1 1 7 1 . . . . . 5.0 1.8 5.5 1 1 8 1 . . . . . 5.0 1.8 5.5 1 1 9 1 . . . . . 5.0 1.8 5.5 1 1 10 1 . . . . . 5.0 1.8 5.5 1 1 11 1 . . . . . 5.0 1.8 5.5 1 1 12 1 . . . . . 5.0 1.8 5.5 1 1 13 1 . . . . . 5.0 1.8 5.5 1 1 14 1 . . . . . 2.8 1.8 3.3 1 1 15 1 . . . . . 3.4 1.8 3.9 1 1 16 1 . . . . . 3.4 1.8 3.9 1 1 17 1 . . . . . 3.4 1.8 3.9 1 1 18 1 . . . . . 3.4 1.8 3.9 1 1 19 1 . . . . . 3.4 1.8 3.9 1 1 20 1 . . . . . 5.0 1.8 5.5 1 1 21 1 . . . . . 3.4 1.8 3.9 1 1 22 1 . . . . . 5.0 1.8 5.5 1 1 23 1 . . . . . 5.0 1.8 5.5 1 1 24 1 . . . . . 5.0 1.8 5.5 1 1 25 1 . . . . . 2.8 1.8 3.3 1 1 26 1 . . . . . 2.8 1.8 3.3 1 1 27 1 . . . . . 3.4 1.8 3.9 1 1 28 1 . . . . . 5.0 1.8 5.5 1 1 29 1 . . . . . 3.4 1.8 3.9 1 1 30 1 . . . . . 5.0 1.8 5.5 1 1 31 1 . . . . . 5.0 1.8 5.5 1 1 32 1 . . . . . 5.0 1.8 5.5 1 1 33 1 . . . . . 5.0 1.8 5.5 1 1 34 1 . . . . . 2.8 1.8 3.3 1 1 35 1 . . . . . 5.0 1.8 5.5 1 1 36 1 . . . . . 5.0 1.8 5.5 1 1 37 1 . . . . . 5.0 1.8 5.5 1 1 38 1 . . . . . 5.0 1.8 5.5 1 1 39 1 . . . . . 2.8 1.8 3.3 1 1 40 1 . . . . . 5.0 1.8 5.5 1 1 41 1 . . . . . 5.0 1.8 5.5 1 1 42 1 . . . . . 3.4 1.8 3.9 1 1 43 1 . . . . . 5.0 1.8 5.5 1 1 44 1 . . . . . 5.0 1.8 5.5 1 1 45 1 . . . . . 5.0 1.8 5.5 1 1 46 1 . . . . . 3.4 1.8 3.9 1 1 47 1 . . . . . 5.0 1.8 5.5 1 1 48 1 . . . . . 5.0 1.8 5.5 1 1 49 1 . . . . . 5.0 1.8 5.5 1 1 50 1 . . . . . 5.0 1.8 5.5 1 1 51 1 . . . . . 2.8 1.8 3.3 1 1 52 1 . . . . . 5.0 1.8 5.5 1 1 53 1 . . . . . 2.8 1.8 3.3 1 1 54 1 . . . . . 3.4 1.8 3.9 1 1 55 1 . . . . . 5.0 1.8 5.5 1 1 56 1 . . . . . 5.0 1.8 5.5 1 1 57 1 . . . . . 5.0 1.8 5.5 1 1 58 1 . . . . . 2.8 1.8 3.3 1 1 59 1 . . . . . 2.8 1.8 3.3 1 1 60 1 . . . . . 5.0 1.8 5.5 1 1 61 1 . . . . . 5.0 1.8 5.5 1 1 62 1 . . . . . 5.0 1.8 5.5 1 1 63 1 . . . . . 5.0 1.8 5.5 1 1 64 1 . . . . . 5.0 1.8 5.5 1 1 65 1 . . . . . 5.0 1.8 5.5 1 1 66 1 . . . . . 5.0 1.8 5.5 1 1 67 1 . . . . . 5.0 1.8 5.5 1 1 68 1 . . . . . 5.0 1.8 5.5 1 1 stop_ save_ save_conformer_family_coord_set_1 _Conformer_family_coord_set.Sf_category conformer_family_coord_set _Conformer_family_coord_set.Entry_ID 1 _Conformer_family_coord_set.ID 1 loop_ _Atom_site.Model_ID _Atom_site.ID _Atom_site.Label_entity_assembly_ID _Atom_site.Label_entity_ID _Atom_site.Label_comp_index_ID _Atom_site.Label_comp_ID _Atom_site.Label_atom_ID _Atom_site.Type_symbol _Atom_site.Cartn_x _Atom_site.Cartn_y _Atom_site.Cartn_z _Atom_site.Occupancy _Atom_site.Uncertainty _Atom_site.PDBX_label_asym_ID _Atom_site.PDB_strand_ID _Atom_site.PDB_ins_code _Atom_site.PDB_residue_no _Atom_site.PDB_residue_name _Atom_site.PDB_atom_name _Atom_site.Entry_ID _Atom_site.Conformer_family_coord_set_ID 1 1 1 1 1 SER C C 4.711 3.293 -4.213 1.00 . A A . 1 SER C 1 1 1 2 1 1 1 SER CA C 3.749 3.419 -5.398 1.00 . A A . 1 SER CA 1 1 1 3 1 1 1 SER CB C 2.388 3.933 -4.930 1.00 . A A . 1 SER CB 1 1 1 4 1 1 1 SER H1 H 4.373 1.596 -6.191 1.00 . A A . 1 SER H1 1 1 1 5 1 1 1 SER H2 H 2.929 2.186 -6.863 1.00 . A A . 1 SER H2 1 1 1 6 1 1 1 SER H3 H 2.929 1.507 -5.306 1.00 . A A . 1 SER H3 1 1 1 7 1 1 1 SER HA H 4.156 4.081 -6.146 1.00 . A A . 1 SER HA 1 1 1 8 1 1 1 SER HB2 H 1.607 3.471 -5.511 1.00 . A A . 1 SER HB2 1 1 1 9 1 1 1 SER HB3 H 2.251 3.687 -3.886 1.00 . A A . 1 SER HB3 1 1 1 10 1 1 1 SER HG H 3.077 5.731 -4.647 1.00 . A A . 1 SER HG 1 1 1 11 1 1 1 SER N N 3.474 2.075 -5.983 1.00 . A A . 1 SER N 1 1 1 12 1 1 1 SER O O 4.916 2.221 -3.678 1.00 . A A . 1 SER O 1 1 1 13 1 1 1 SER OG O 2.331 5.342 -5.110 1.00 . A A . 1 SER OG 1 1 1 14 1 1 2 VAL C C 5.534 3.855 -1.386 1.00 . A A . 2 VAL C 1 1 1 15 1 1 2 VAL CA C 6.254 4.330 -2.651 1.00 . A A . 2 VAL CA 1 1 1 16 1 1 2 VAL CB C 6.753 5.765 -2.479 1.00 . A A . 2 VAL CB 1 1 1 17 1 1 2 VAL CG1 C 7.759 5.826 -1.325 1.00 . A A . 2 VAL CG1 1 1 1 18 1 1 2 VAL CG2 C 7.429 6.223 -3.772 1.00 . A A . 2 VAL CG2 1 1 1 19 1 1 2 VAL H H 5.122 5.236 -4.248 1.00 . A A . 2 VAL H 1 1 1 20 1 1 2 VAL HA H 7.083 3.678 -2.878 1.00 . A A . 2 VAL HA 1 1 1 21 1 1 2 VAL HB H 5.915 6.412 -2.260 1.00 . A A . 2 VAL HB 1 1 1 22 1 1 2 VAL HG11 H 8.757 5.941 -1.721 1.00 . A A . 2 VAL HG11 1 1 1 23 1 1 2 VAL HG12 H 7.704 4.913 -0.750 1.00 . A A . 2 VAL HG12 1 1 1 24 1 1 2 VAL HG13 H 7.524 6.665 -0.688 1.00 . A A . 2 VAL HG13 1 1 1 25 1 1 2 VAL HG21 H 6.702 6.709 -4.406 1.00 . A A . 2 VAL HG21 1 1 1 26 1 1 2 VAL HG22 H 7.838 5.366 -4.287 1.00 . A A . 2 VAL HG22 1 1 1 27 1 1 2 VAL HG23 H 8.224 6.915 -3.538 1.00 . A A . 2 VAL HG23 1 1 1 28 1 1 2 VAL N N 5.303 4.383 -3.801 1.00 . A A . 2 VAL N 1 1 1 29 1 1 2 VAL O O 6.150 3.370 -0.456 1.00 . A A . 2 VAL O 1 1 1 30 1 1 3 ALA C C 3.768 2.061 0.159 1.00 . A A . 3 ALA C 1 1 1 31 1 1 3 ALA CA C 3.475 3.537 -0.138 1.00 . A A . 3 ALA CA 1 1 1 32 1 1 3 ALA CB C 2.003 3.726 -0.502 1.00 . A A . 3 ALA CB 1 1 1 33 1 1 3 ALA H H 3.757 4.376 -2.105 1.00 . A A . 3 ALA H 1 1 1 34 1 1 3 ALA HA H 3.725 4.149 0.713 1.00 . A A . 3 ALA HA 1 1 1 35 1 1 3 ALA HB1 H 1.759 3.107 -1.353 1.00 . A A . 3 ALA HB1 1 1 1 36 1 1 3 ALA HB2 H 1.823 4.762 -0.747 1.00 . A A . 3 ALA HB2 1 1 1 37 1 1 3 ALA HB3 H 1.385 3.442 0.337 1.00 . A A . 3 ALA HB3 1 1 1 38 1 1 3 ALA N N 4.234 3.985 -1.344 1.00 . A A . 3 ALA N 1 1 1 39 1 1 3 ALA O O 3.525 1.581 1.249 1.00 . A A . 3 ALA O 1 1 1 40 1 1 4 GLY C C 5.818 -0.216 0.348 1.00 . A A . 4 GLY C 1 1 1 41 1 1 4 GLY CA C 4.599 -0.100 -0.566 1.00 . A A . 4 GLY CA 1 1 1 42 1 1 4 GLY H H 4.480 1.745 -1.670 1.00 . A A . 4 GLY H 1 1 1 43 1 1 4 GLY HA2 H 3.750 -0.580 -0.100 1.00 . A A . 4 GLY HA2 1 1 1 44 1 1 4 GLY HA3 H 4.813 -0.581 -1.508 1.00 . A A . 4 GLY HA3 1 1 1 45 1 1 4 GLY N N 4.290 1.339 -0.799 1.00 . A A . 4 GLY N 1 1 1 46 1 1 4 GLY O O 5.921 -1.126 1.148 1.00 . A A . 4 GLY O 1 1 1 47 1 1 5 ARG C C 7.744 1.482 2.372 1.00 . A A . 5 ARG C 1 1 1 48 1 1 5 ARG CA C 7.954 0.646 1.104 1.00 . A A . 5 ARG CA 1 1 1 49 1 1 5 ARG CB C 9.079 1.233 0.253 1.00 . A A . 5 ARG CB 1 1 1 50 1 1 5 ARG CD C 10.539 0.855 -1.741 1.00 . A A . 5 ARG CD 1 1 1 51 1 1 5 ARG CG C 9.455 0.243 -0.852 1.00 . A A . 5 ARG CG 1 1 1 52 1 1 5 ARG CZ C 12.954 1.023 -1.449 1.00 . A A . 5 ARG CZ 1 1 1 53 1 1 5 ARG H H 6.634 1.426 -0.411 1.00 . A A . 5 ARG H 1 1 1 54 1 1 5 ARG HA H 8.184 -0.376 1.363 1.00 . A A . 5 ARG HA 1 1 1 55 1 1 5 ARG HB2 H 8.750 2.161 -0.189 1.00 . A A . 5 ARG HB2 1 1 1 56 1 1 5 ARG HB3 H 9.943 1.417 0.877 1.00 . A A . 5 ARG HB3 1 1 1 57 1 1 5 ARG HD2 H 10.681 0.251 -2.627 1.00 . A A . 5 ARG HD2 1 1 1 58 1 1 5 ARG HD3 H 10.279 1.867 -2.009 1.00 . A A . 5 ARG HD3 1 1 1 59 1 1 5 ARG HE H 11.703 0.716 0.067 1.00 . A A . 5 ARG HE 1 1 1 60 1 1 5 ARG HG2 H 9.824 -0.670 -0.406 1.00 . A A . 5 ARG HG2 1 1 1 61 1 1 5 ARG HG3 H 8.582 0.025 -1.450 1.00 . A A . 5 ARG HG3 1 1 1 62 1 1 5 ARG HH11 H 12.262 1.219 -3.323 1.00 . A A . 5 ARG HH11 1 1 1 63 1 1 5 ARG HH12 H 13.980 1.338 -3.141 1.00 . A A . 5 ARG HH12 1 1 1 64 1 1 5 ARG HH21 H 13.935 0.874 0.290 1.00 . A A . 5 ARG HH21 1 1 1 65 1 1 5 ARG HH22 H 14.923 1.144 -1.107 1.00 . A A . 5 ARG HH22 1 1 1 66 1 1 5 ARG N N 6.740 0.700 0.238 1.00 . A A . 5 ARG N 1 1 1 67 1 1 5 ARG NE N 11.774 0.851 -0.903 1.00 . A A . 5 ARG NE 1 1 1 68 1 1 5 ARG NH1 N 13.073 1.208 -2.739 1.00 . A A . 5 ARG NH1 1 1 1 69 1 1 5 ARG NH2 N 14.020 1.013 -0.697 1.00 . A A . 5 ARG NH2 1 1 1 70 1 1 5 ARG O O 8.574 1.490 3.260 1.00 . A A . 5 ARG O 1 1 1 71 1 1 6 ALA C C 6.515 2.136 4.941 1.00 . A A . 6 ALA C 1 1 1 72 1 1 6 ALA CA C 6.380 3.006 3.689 1.00 . A A . 6 ALA CA 1 1 1 73 1 1 6 ALA CB C 4.943 3.507 3.535 1.00 . A A . 6 ALA CB 1 1 1 74 1 1 6 ALA H H 5.979 2.157 1.747 1.00 . A A . 6 ALA H 1 1 1 75 1 1 6 ALA HA H 7.062 3.841 3.732 1.00 . A A . 6 ALA HA 1 1 1 76 1 1 6 ALA HB1 H 4.273 2.663 3.463 1.00 . A A . 6 ALA HB1 1 1 1 77 1 1 6 ALA HB2 H 4.864 4.105 2.639 1.00 . A A . 6 ALA HB2 1 1 1 78 1 1 6 ALA HB3 H 4.677 4.106 4.392 1.00 . A A . 6 ALA HB3 1 1 1 79 1 1 6 ALA N N 6.638 2.180 2.470 1.00 . A A . 6 ALA N 1 1 1 80 1 1 6 ALA O O 6.899 2.601 5.997 1.00 . A A . 6 ALA O 1 1 1 81 1 1 7 GLN C C 7.484 -1.025 5.760 1.00 . A A . 7 GLN C 1 1 1 82 1 1 7 GLN CA C 6.330 -0.046 5.987 1.00 . A A . 7 GLN CA 1 1 1 83 1 1 7 GLN CB C 4.995 -0.790 6.042 1.00 . A A . 7 GLN CB 1 1 1 84 1 1 7 GLN CD C 3.739 -2.616 7.199 1.00 . A A . 7 GLN CD 1 1 1 85 1 1 7 GLN CG C 4.985 -1.731 7.249 1.00 . A A . 7 GLN CG 1 1 1 86 1 1 7 GLN H H 5.914 0.524 3.954 1.00 . A A . 7 GLN H 1 1 1 87 1 1 7 GLN HA H 6.480 0.514 6.896 1.00 . A A . 7 GLN HA 1 1 1 88 1 1 7 GLN HB2 H 4.188 -0.077 6.133 1.00 . A A . 7 GLN HB2 1 1 1 89 1 1 7 GLN HB3 H 4.867 -1.368 5.139 1.00 . A A . 7 GLN HB3 1 1 1 90 1 1 7 GLN HE21 H 4.652 -4.190 7.990 1.00 . A A . 7 GLN HE21 1 1 1 91 1 1 7 GLN HE22 H 3.014 -4.418 7.607 1.00 . A A . 7 GLN HE22 1 1 1 92 1 1 7 GLN HG2 H 5.869 -2.352 7.228 1.00 . A A . 7 GLN HG2 1 1 1 93 1 1 7 GLN HG3 H 4.975 -1.149 8.158 1.00 . A A . 7 GLN HG3 1 1 1 94 1 1 7 GLN N N 6.212 0.872 4.820 1.00 . A A . 7 GLN N 1 1 1 95 1 1 7 GLN NE2 N 3.807 -3.843 7.635 1.00 . A A . 7 GLN NE2 1 1 1 96 1 1 7 GLN O O 8.064 -1.544 6.694 1.00 . A A . 7 GLN O 1 1 1 97 1 1 7 GLN OE1 O 2.691 -2.185 6.758 1.00 . A A . 7 GLN OE1 1 1 1 98 1 1 8 GLY C C 8.364 -3.571 3.794 1.00 . A A . 8 GLY C 1 1 1 99 1 1 8 GLY CA C 8.937 -2.222 4.226 1.00 . A A . 8 GLY CA 1 1 1 100 1 1 8 GLY H H 7.339 -0.849 3.785 1.00 . A A . 8 GLY H 1 1 1 101 1 1 8 GLY HA2 H 9.549 -1.817 3.431 1.00 . A A . 8 GLY HA2 1 1 1 102 1 1 8 GLY HA3 H 9.540 -2.357 5.111 1.00 . A A . 8 GLY HA3 1 1 1 103 1 1 8 GLY N N 7.821 -1.280 4.522 1.00 . A A . 8 GLY N 1 1 1 104 1 1 8 GLY O O 8.768 -4.612 4.273 1.00 . A A . 8 GLY O 1 1 1 105 1 1 9 MET C C 6.752 -4.869 0.891 1.00 . A A . 9 MET C 1 1 1 106 1 1 9 MET CA C 6.816 -4.842 2.421 1.00 . A A . 9 MET CA 1 1 1 107 1 1 9 MET CB C 5.406 -4.855 3.020 1.00 . A A . 9 MET CB 1 1 1 108 1 1 9 MET CE C 5.449 -8.768 4.090 1.00 . A A . 9 MET CE 1 1 1 109 1 1 9 MET CG C 5.252 -6.064 3.947 1.00 . A A . 9 MET CG 1 1 1 110 1 1 9 MET H H 7.112 -2.710 2.516 1.00 . A A . 9 MET H 1 1 1 111 1 1 9 MET HA H 7.382 -5.683 2.790 1.00 . A A . 9 MET HA 1 1 1 112 1 1 9 MET HB2 H 5.246 -3.947 3.584 1.00 . A A . 9 MET HB2 1 1 1 113 1 1 9 MET HB3 H 4.677 -4.919 2.226 1.00 . A A . 9 MET HB3 1 1 1 114 1 1 9 MET HE1 H 4.806 -8.860 4.953 1.00 . A A . 9 MET HE1 1 1 1 115 1 1 9 MET HE2 H 6.436 -8.475 4.409 1.00 . A A . 9 MET HE2 1 1 1 116 1 1 9 MET HE3 H 5.506 -9.716 3.573 1.00 . A A . 9 MET HE3 1 1 1 117 1 1 9 MET HG2 H 6.191 -6.258 4.443 1.00 . A A . 9 MET HG2 1 1 1 118 1 1 9 MET HG3 H 4.490 -5.859 4.683 1.00 . A A . 9 MET HG3 1 1 1 119 1 1 9 MET N N 7.421 -3.561 2.888 1.00 . A A . 9 MET N 1 1 1 120 1 1 9 MET O O 6.760 -3.837 0.249 1.00 . A A . 9 MET O 1 1 1 121 1 1 9 MET SD S 4.776 -7.513 2.972 1.00 . A A . 9 MET SD 1 1 1 122 1 1 10 NH2 HN1 H 6.685 -6.850 0.791 1.00 . A A . 10 NH2 HN1 1 1 1 123 1 1 10 NH2 HN2 H 6.650 -6.047 -0.704 1.00 . A A . 10 NH2 HN2 1 1 1 124 1 1 10 NH2 N N 6.691 -6.017 0.275 1.00 . A A . 10 NH2 N 1 1 2 125 1 1 1 SER C C 5.106 3.364 -3.888 1.00 . A A . 1 SER C 1 1 2 126 1 1 1 SER CA C 4.278 3.129 -5.154 1.00 . A A . 1 SER CA 1 1 2 127 1 1 1 SER CB C 2.912 2.544 -4.798 1.00 . A A . 1 SER CB 1 1 2 128 1 1 1 SER H1 H 4.285 1.831 -6.784 1.00 . A A . 1 SER H1 1 1 2 129 1 1 1 SER H2 H 5.148 1.258 -5.437 1.00 . A A . 1 SER H2 1 1 2 130 1 1 1 SER H3 H 5.807 2.482 -6.413 1.00 . A A . 1 SER H3 1 1 2 131 1 1 1 SER HA H 4.153 4.050 -5.700 1.00 . A A . 1 SER HA 1 1 2 132 1 1 1 SER HB2 H 3.032 1.767 -4.062 1.00 . A A . 1 SER HB2 1 1 2 133 1 1 1 SER HB3 H 2.282 3.326 -4.393 1.00 . A A . 1 SER HB3 1 1 2 134 1 1 1 SER HG H 1.438 1.689 -5.736 1.00 . A A . 1 SER HG 1 1 2 135 1 1 1 SER N N 4.929 2.096 -6.011 1.00 . A A . 1 SER N 1 1 2 136 1 1 1 SER O O 5.911 2.541 -3.500 1.00 . A A . 1 SER O 1 1 2 137 1 1 1 SER OG O 2.318 1.995 -5.966 1.00 . A A . 1 SER OG 1 1 2 138 1 1 2 VAL C C 5.174 3.918 -0.840 1.00 . A A . 2 VAL C 1 1 2 139 1 1 2 VAL CA C 5.689 4.774 -2.002 1.00 . A A . 2 VAL CA 1 1 2 140 1 1 2 VAL CB C 5.458 6.263 -1.727 1.00 . A A . 2 VAL CB 1 1 2 141 1 1 2 VAL CG1 C 3.989 6.509 -1.371 1.00 . A A . 2 VAL CG1 1 1 2 142 1 1 2 VAL CG2 C 6.345 6.710 -0.563 1.00 . A A . 2 VAL CG2 1 1 2 143 1 1 2 VAL H H 4.259 5.132 -3.575 1.00 . A A . 2 VAL H 1 1 2 144 1 1 2 VAL HA H 6.740 4.591 -2.165 1.00 . A A . 2 VAL HA 1 1 2 145 1 1 2 VAL HB H 5.711 6.830 -2.611 1.00 . A A . 2 VAL HB 1 1 2 146 1 1 2 VAL HG11 H 3.767 7.562 -1.464 1.00 . A A . 2 VAL HG11 1 1 2 147 1 1 2 VAL HG12 H 3.806 6.191 -0.356 1.00 . A A . 2 VAL HG12 1 1 2 148 1 1 2 VAL HG13 H 3.355 5.948 -2.043 1.00 . A A . 2 VAL HG13 1 1 2 149 1 1 2 VAL HG21 H 5.842 7.488 -0.006 1.00 . A A . 2 VAL HG21 1 1 2 150 1 1 2 VAL HG22 H 7.279 7.090 -0.947 1.00 . A A . 2 VAL HG22 1 1 2 151 1 1 2 VAL HG23 H 6.537 5.869 0.086 1.00 . A A . 2 VAL HG23 1 1 2 152 1 1 2 VAL N N 4.914 4.483 -3.243 1.00 . A A . 2 VAL N 1 1 2 153 1 1 2 VAL O O 5.930 3.485 0.008 1.00 . A A . 2 VAL O 1 1 2 154 1 1 3 ALA C C 3.926 1.437 0.278 1.00 . A A . 3 ALA C 1 1 2 155 1 1 3 ALA CA C 3.323 2.843 0.306 1.00 . A A . 3 ALA CA 1 1 2 156 1 1 3 ALA CB C 1.821 2.787 0.028 1.00 . A A . 3 ALA CB 1 1 2 157 1 1 3 ALA H H 3.303 4.032 -1.493 1.00 . A A . 3 ALA H 1 1 2 158 1 1 3 ALA HA H 3.504 3.312 1.261 1.00 . A A . 3 ALA HA 1 1 2 159 1 1 3 ALA HB1 H 1.652 2.790 -1.039 1.00 . A A . 3 ALA HB1 1 1 2 160 1 1 3 ALA HB2 H 1.340 3.646 0.471 1.00 . A A . 3 ALA HB2 1 1 2 161 1 1 3 ALA HB3 H 1.410 1.884 0.455 1.00 . A A . 3 ALA HB3 1 1 2 162 1 1 3 ALA N N 3.892 3.672 -0.797 1.00 . A A . 3 ALA N 1 1 2 163 1 1 3 ALA O O 3.971 0.752 1.281 1.00 . A A . 3 ALA O 1 1 2 164 1 1 4 GLY C C 6.212 -0.442 -0.041 1.00 . A A . 4 GLY C 1 1 2 165 1 1 4 GLY CA C 4.991 -0.360 -0.957 1.00 . A A . 4 GLY CA 1 1 2 166 1 1 4 GLY H H 4.345 1.572 -1.661 1.00 . A A . 4 GLY H 1 1 2 167 1 1 4 GLY HA2 H 4.262 -1.097 -0.652 1.00 . A A . 4 GLY HA2 1 1 2 168 1 1 4 GLY HA3 H 5.296 -0.552 -1.973 1.00 . A A . 4 GLY HA3 1 1 2 169 1 1 4 GLY N N 4.391 1.003 -0.864 1.00 . A A . 4 GLY N 1 1 2 170 1 1 4 GLY O O 6.446 -1.443 0.607 1.00 . A A . 4 GLY O 1 1 2 171 1 1 5 ARG C C 7.998 1.532 2.093 1.00 . A A . 5 ARG C 1 1 2 172 1 1 5 ARG CA C 8.192 0.590 0.901 1.00 . A A . 5 ARG CA 1 1 2 173 1 1 5 ARG CB C 9.340 1.070 0.016 1.00 . A A . 5 ARG CB 1 1 2 174 1 1 5 ARG CD C 8.966 0.162 -2.283 1.00 . A A . 5 ARG CD 1 1 2 175 1 1 5 ARG CG C 9.723 -0.037 -0.967 1.00 . A A . 5 ARG CG 1 1 2 176 1 1 5 ARG CZ C 10.642 -0.890 -3.709 1.00 . A A . 5 ARG CZ 1 1 2 177 1 1 5 ARG H H 6.777 1.404 -0.507 1.00 . A A . 5 ARG H 1 1 2 178 1 1 5 ARG HA H 8.390 -0.414 1.242 1.00 . A A . 5 ARG HA 1 1 2 179 1 1 5 ARG HB2 H 9.029 1.949 -0.529 1.00 . A A . 5 ARG HB2 1 1 2 180 1 1 5 ARG HB3 H 10.191 1.310 0.635 1.00 . A A . 5 ARG HB3 1 1 2 181 1 1 5 ARG HD2 H 8.295 -0.666 -2.458 1.00 . A A . 5 ARG HD2 1 1 2 182 1 1 5 ARG HD3 H 8.422 1.094 -2.270 1.00 . A A . 5 ARG HD3 1 1 2 183 1 1 5 ARG HE H 10.267 1.062 -3.740 1.00 . A A . 5 ARG HE 1 1 2 184 1 1 5 ARG HG2 H 10.787 0.000 -1.151 1.00 . A A . 5 ARG HG2 1 1 2 185 1 1 5 ARG HG3 H 9.463 -0.996 -0.548 1.00 . A A . 5 ARG HG3 1 1 2 186 1 1 5 ARG HH11 H 9.634 -2.104 -2.468 1.00 . A A . 5 ARG HH11 1 1 2 187 1 1 5 ARG HH12 H 10.817 -2.872 -3.472 1.00 . A A . 5 ARG HH12 1 1 2 188 1 1 5 ARG HH21 H 11.803 0.053 -5.040 1.00 . A A . 5 ARG HH21 1 1 2 189 1 1 5 ARG HH22 H 12.039 -1.658 -4.920 1.00 . A A . 5 ARG HH22 1 1 2 190 1 1 5 ARG N N 6.988 0.606 0.021 1.00 . A A . 5 ARG N 1 1 2 191 1 1 5 ARG NE N 10.027 0.206 -3.331 1.00 . A A . 5 ARG NE 1 1 2 192 1 1 5 ARG NH1 N 10.339 -2.045 -3.173 1.00 . A A . 5 ARG NH1 1 1 2 193 1 1 5 ARG NH2 N 11.566 -0.826 -4.628 1.00 . A A . 5 ARG NH2 1 1 2 194 1 1 5 ARG O O 8.827 1.595 2.979 1.00 . A A . 5 ARG O 1 1 2 195 1 1 6 ALA C C 6.792 2.411 4.592 1.00 . A A . 6 ALA C 1 1 2 196 1 1 6 ALA CA C 6.667 3.186 3.279 1.00 . A A . 6 ALA CA 1 1 2 197 1 1 6 ALA CB C 5.240 3.700 3.089 1.00 . A A . 6 ALA CB 1 1 2 198 1 1 6 ALA H H 6.246 2.192 1.412 1.00 . A A . 6 ALA H 1 1 2 199 1 1 6 ALA HA H 7.367 4.007 3.256 1.00 . A A . 6 ALA HA 1 1 2 200 1 1 6 ALA HB1 H 5.136 4.113 2.097 1.00 . A A . 6 ALA HB1 1 1 2 201 1 1 6 ALA HB2 H 5.034 4.466 3.822 1.00 . A A . 6 ALA HB2 1 1 2 202 1 1 6 ALA HB3 H 4.544 2.885 3.215 1.00 . A A . 6 ALA HB3 1 1 2 203 1 1 6 ALA N N 6.907 2.259 2.131 1.00 . A A . 6 ALA N 1 1 2 204 1 1 6 ALA O O 7.301 2.908 5.578 1.00 . A A . 6 ALA O 1 1 2 205 1 1 7 GLN C C 7.448 -0.783 5.600 1.00 . A A . 7 GLN C 1 1 2 206 1 1 7 GLN CA C 6.442 0.351 5.827 1.00 . A A . 7 GLN CA 1 1 2 207 1 1 7 GLN CB C 5.035 -0.206 6.055 1.00 . A A . 7 GLN CB 1 1 2 208 1 1 7 GLN CD C 3.403 -1.898 5.204 1.00 . A A . 7 GLN CD 1 1 2 209 1 1 7 GLN CG C 4.586 -1.003 4.826 1.00 . A A . 7 GLN CG 1 1 2 210 1 1 7 GLN H H 5.950 0.807 3.783 1.00 . A A . 7 GLN H 1 1 2 211 1 1 7 GLN HA H 6.741 0.955 6.668 1.00 . A A . 7 GLN HA 1 1 2 212 1 1 7 GLN HB2 H 5.041 -0.853 6.920 1.00 . A A . 7 GLN HB2 1 1 2 213 1 1 7 GLN HB3 H 4.348 0.610 6.221 1.00 . A A . 7 GLN HB3 1 1 2 214 1 1 7 GLN HE21 H 2.042 -0.510 4.802 1.00 . A A . 7 GLN HE21 1 1 2 215 1 1 7 GLN HE22 H 1.425 -1.993 5.351 1.00 . A A . 7 GLN HE22 1 1 2 216 1 1 7 GLN HG2 H 4.286 -0.321 4.045 1.00 . A A . 7 GLN HG2 1 1 2 217 1 1 7 GLN HG3 H 5.401 -1.618 4.476 1.00 . A A . 7 GLN HG3 1 1 2 218 1 1 7 GLN N N 6.343 1.185 4.597 1.00 . A A . 7 GLN N 1 1 2 219 1 1 7 GLN NE2 N 2.189 -1.428 5.111 1.00 . A A . 7 GLN NE2 1 1 2 220 1 1 7 GLN O O 7.973 -1.356 6.534 1.00 . A A . 7 GLN O 1 1 2 221 1 1 7 GLN OE1 O 3.586 -3.037 5.588 1.00 . A A . 7 GLN OE1 1 1 2 222 1 1 8 GLY C C 7.934 -3.474 3.707 1.00 . A A . 8 GLY C 1 1 2 223 1 1 8 GLY CA C 8.694 -2.198 4.067 1.00 . A A . 8 GLY CA 1 1 2 224 1 1 8 GLY H H 7.287 -0.630 3.621 1.00 . A A . 8 GLY H 1 1 2 225 1 1 8 GLY HA2 H 9.322 -1.904 3.238 1.00 . A A . 8 GLY HA2 1 1 2 226 1 1 8 GLY HA3 H 9.306 -2.379 4.936 1.00 . A A . 8 GLY HA3 1 1 2 227 1 1 8 GLY N N 7.721 -1.107 4.360 1.00 . A A . 8 GLY N 1 1 2 228 1 1 8 GLY O O 8.197 -4.535 4.240 1.00 . A A . 8 GLY O 1 1 2 229 1 1 9 MET C C 6.341 -4.827 0.899 1.00 . A A . 9 MET C 1 1 2 230 1 1 9 MET CA C 6.216 -4.588 2.407 1.00 . A A . 9 MET CA 1 1 2 231 1 1 9 MET CB C 4.766 -4.273 2.786 1.00 . A A . 9 MET CB 1 1 2 232 1 1 9 MET CE C 2.019 -3.335 0.608 1.00 . A A . 9 MET CE 1 1 2 233 1 1 9 MET CG C 4.300 -3.014 2.050 1.00 . A A . 9 MET CG 1 1 2 234 1 1 9 MET H H 6.802 -2.513 2.388 1.00 . A A . 9 MET H 1 1 2 235 1 1 9 MET HA H 6.559 -5.453 2.954 1.00 . A A . 9 MET HA 1 1 2 236 1 1 9 MET HB2 H 4.134 -5.105 2.510 1.00 . A A . 9 MET HB2 1 1 2 237 1 1 9 MET HB3 H 4.701 -4.109 3.851 1.00 . A A . 9 MET HB3 1 1 2 238 1 1 9 MET HE1 H 1.302 -4.141 0.684 1.00 . A A . 9 MET HE1 1 1 2 239 1 1 9 MET HE2 H 2.884 -3.677 0.063 1.00 . A A . 9 MET HE2 1 1 2 240 1 1 9 MET HE3 H 1.574 -2.498 0.086 1.00 . A A . 9 MET HE3 1 1 2 241 1 1 9 MET HG2 H 4.811 -2.152 2.452 1.00 . A A . 9 MET HG2 1 1 2 242 1 1 9 MET HG3 H 4.526 -3.108 0.998 1.00 . A A . 9 MET HG3 1 1 2 243 1 1 9 MET N N 6.995 -3.379 2.805 1.00 . A A . 9 MET N 1 1 2 244 1 1 9 MET O O 7.222 -4.294 0.255 1.00 . A A . 9 MET O 1 1 2 245 1 1 9 MET SD S 2.514 -2.814 2.268 1.00 . A A . 9 MET SD 1 1 2 246 1 1 10 NH2 HN1 H 4.776 -6.046 0.825 1.00 . A A . 10 NH2 HN1 1 1 2 247 1 1 10 NH2 HN2 H 5.556 -5.777 -0.658 1.00 . A A . 10 NH2 HN2 1 1 2 248 1 1 10 NH2 N N 5.486 -5.616 0.307 1.00 . A A . 10 NH2 N 1 1 3 249 1 1 1 SER C C 5.140 2.950 -4.179 1.00 . A A . 1 SER C 1 1 3 250 1 1 1 SER CA C 4.281 2.807 -5.437 1.00 . A A . 1 SER CA 1 1 3 251 1 1 1 SER CB C 2.929 3.492 -5.244 1.00 . A A . 1 SER CB 1 1 3 252 1 1 1 SER H1 H 4.821 0.859 -5.943 1.00 . A A . 1 SER H1 1 1 3 253 1 1 1 SER H2 H 3.260 1.300 -6.451 1.00 . A A . 1 SER H2 1 1 3 254 1 1 1 SER H3 H 3.559 0.955 -4.814 1.00 . A A . 1 SER H3 1 1 3 255 1 1 1 SER HA H 4.789 3.228 -6.290 1.00 . A A . 1 SER HA 1 1 3 256 1 1 1 SER HB2 H 3.052 4.559 -5.308 1.00 . A A . 1 SER HB2 1 1 3 257 1 1 1 SER HB3 H 2.247 3.163 -6.018 1.00 . A A . 1 SER HB3 1 1 3 258 1 1 1 SER HG H 2.228 2.212 -3.956 1.00 . A A . 1 SER HG 1 1 3 259 1 1 1 SER N N 3.955 1.372 -5.680 1.00 . A A . 1 SER N 1 1 3 260 1 1 1 SER O O 5.533 1.974 -3.569 1.00 . A A . 1 SER O 1 1 3 261 1 1 1 SER OG O 2.411 3.155 -3.963 1.00 . A A . 1 SER OG 1 1 3 262 1 1 2 VAL C C 5.512 3.893 -1.321 1.00 . A A . 2 VAL C 1 1 3 263 1 1 2 VAL CA C 6.268 4.369 -2.563 1.00 . A A . 2 VAL CA 1 1 3 264 1 1 2 VAL CB C 6.511 5.875 -2.497 1.00 . A A . 2 VAL CB 1 1 3 265 1 1 2 VAL CG1 C 7.350 6.203 -1.260 1.00 . A A . 2 VAL CG1 1 1 3 266 1 1 2 VAL CG2 C 7.262 6.321 -3.754 1.00 . A A . 2 VAL CG2 1 1 3 267 1 1 2 VAL H H 5.106 4.933 -4.291 1.00 . A A . 2 VAL H 1 1 3 268 1 1 2 VAL HA H 7.207 3.847 -2.656 1.00 . A A . 2 VAL HA 1 1 3 269 1 1 2 VAL HB H 5.564 6.391 -2.438 1.00 . A A . 2 VAL HB 1 1 3 270 1 1 2 VAL HG11 H 6.872 5.789 -0.383 1.00 . A A . 2 VAL HG11 1 1 3 271 1 1 2 VAL HG12 H 7.431 7.273 -1.154 1.00 . A A . 2 VAL HG12 1 1 3 272 1 1 2 VAL HG13 H 8.335 5.775 -1.369 1.00 . A A . 2 VAL HG13 1 1 3 273 1 1 2 VAL HG21 H 8.040 5.607 -3.980 1.00 . A A . 2 VAL HG21 1 1 3 274 1 1 2 VAL HG22 H 7.702 7.293 -3.585 1.00 . A A . 2 VAL HG22 1 1 3 275 1 1 2 VAL HG23 H 6.572 6.377 -4.583 1.00 . A A . 2 VAL HG23 1 1 3 276 1 1 2 VAL N N 5.434 4.160 -3.784 1.00 . A A . 2 VAL N 1 1 3 277 1 1 2 VAL O O 6.105 3.489 -0.339 1.00 . A A . 2 VAL O 1 1 3 278 1 1 3 ALA C C 3.696 2.004 0.115 1.00 . A A . 3 ALA C 1 1 3 279 1 1 3 ALA CA C 3.410 3.480 -0.182 1.00 . A A . 3 ALA CA 1 1 3 280 1 1 3 ALA CB C 1.950 3.669 -0.595 1.00 . A A . 3 ALA CB 1 1 3 281 1 1 3 ALA H H 3.751 4.262 -2.163 1.00 . A A . 3 ALA H 1 1 3 282 1 1 3 ALA HA H 3.631 4.088 0.680 1.00 . A A . 3 ALA HA 1 1 3 283 1 1 3 ALA HB1 H 1.859 4.560 -1.198 1.00 . A A . 3 ALA HB1 1 1 3 284 1 1 3 ALA HB2 H 1.337 3.769 0.289 1.00 . A A . 3 ALA HB2 1 1 3 285 1 1 3 ALA HB3 H 1.624 2.812 -1.164 1.00 . A A . 3 ALA HB3 1 1 3 286 1 1 3 ALA N N 4.207 3.935 -1.359 1.00 . A A . 3 ALA N 1 1 3 287 1 1 3 ALA O O 3.365 1.500 1.171 1.00 . A A . 3 ALA O 1 1 3 288 1 1 4 GLY C C 5.842 -0.256 0.327 1.00 . A A . 4 GLY C 1 1 3 289 1 1 4 GLY CA C 4.613 -0.134 -0.573 1.00 . A A . 4 GLY CA 1 1 3 290 1 1 4 GLY H H 4.569 1.730 -1.652 1.00 . A A . 4 GLY H 1 1 3 291 1 1 4 GLY HA2 H 3.768 -0.609 -0.096 1.00 . A A . 4 GLY HA2 1 1 3 292 1 1 4 GLY HA3 H 4.814 -0.619 -1.517 1.00 . A A . 4 GLY HA3 1 1 3 293 1 1 4 GLY N N 4.309 1.306 -0.807 1.00 . A A . 4 GLY N 1 1 3 294 1 1 4 GLY O O 5.977 -1.195 1.087 1.00 . A A . 4 GLY O 1 1 3 295 1 1 5 ARG C C 7.771 1.471 2.370 1.00 . A A . 5 ARG C 1 1 3 296 1 1 5 ARG CA C 7.963 0.632 1.102 1.00 . A A . 5 ARG CA 1 1 3 297 1 1 5 ARG CB C 9.081 1.213 0.238 1.00 . A A . 5 ARG CB 1 1 3 298 1 1 5 ARG CD C 9.608 1.106 -2.208 1.00 . A A . 5 ARG CD 1 1 3 299 1 1 5 ARG CG C 9.351 0.278 -0.945 1.00 . A A . 5 ARG CG 1 1 3 300 1 1 5 ARG CZ C 11.520 1.188 -3.719 1.00 . A A . 5 ARG CZ 1 1 3 301 1 1 5 ARG H H 6.611 1.438 -0.371 1.00 . A A . 5 ARG H 1 1 3 302 1 1 5 ARG HA H 8.191 -0.390 1.359 1.00 . A A . 5 ARG HA 1 1 3 303 1 1 5 ARG HB2 H 8.785 2.184 -0.128 1.00 . A A . 5 ARG HB2 1 1 3 304 1 1 5 ARG HB3 H 9.980 1.308 0.829 1.00 . A A . 5 ARG HB3 1 1 3 305 1 1 5 ARG HD2 H 8.976 0.760 -3.017 1.00 . A A . 5 ARG HD2 1 1 3 306 1 1 5 ARG HD3 H 9.435 2.153 -2.016 1.00 . A A . 5 ARG HD3 1 1 3 307 1 1 5 ARG HE H 11.643 0.491 -1.861 1.00 . A A . 5 ARG HE 1 1 3 308 1 1 5 ARG HG2 H 10.216 -0.332 -0.731 1.00 . A A . 5 ARG HG2 1 1 3 309 1 1 5 ARG HG3 H 8.493 -0.358 -1.104 1.00 . A A . 5 ARG HG3 1 1 3 310 1 1 5 ARG HH11 H 9.778 1.875 -4.443 1.00 . A A . 5 ARG HH11 1 1 3 311 1 1 5 ARG HH12 H 11.120 1.941 -5.533 1.00 . A A . 5 ARG HH12 1 1 3 312 1 1 5 ARG HH21 H 13.379 0.583 -3.287 1.00 . A A . 5 ARG HH21 1 1 3 313 1 1 5 ARG HH22 H 13.149 1.213 -4.884 1.00 . A A . 5 ARG HH22 1 1 3 314 1 1 5 ARG N N 6.741 0.690 0.248 1.00 . A A . 5 ARG N 1 1 3 315 1 1 5 ARG NE N 11.046 0.877 -2.536 1.00 . A A . 5 ARG NE 1 1 3 316 1 1 5 ARG NH1 N 10.745 1.708 -4.635 1.00 . A A . 5 ARG NH1 1 1 3 317 1 1 5 ARG NH2 N 12.781 0.978 -3.984 1.00 . A A . 5 ARG NH2 1 1 3 318 1 1 5 ARG O O 8.593 1.447 3.265 1.00 . A A . 5 ARG O 1 1 3 319 1 1 6 ALA C C 6.570 2.171 4.931 1.00 . A A . 6 ALA C 1 1 3 320 1 1 6 ALA CA C 6.451 3.041 3.678 1.00 . A A . 6 ALA CA 1 1 3 321 1 1 6 ALA CB C 5.026 3.572 3.523 1.00 . A A . 6 ALA CB 1 1 3 322 1 1 6 ALA H H 6.038 2.213 1.730 1.00 . A A . 6 ALA H 1 1 3 323 1 1 6 ALA HA H 7.150 3.862 3.718 1.00 . A A . 6 ALA HA 1 1 3 324 1 1 6 ALA HB1 H 4.747 3.557 2.479 1.00 . A A . 6 ALA HB1 1 1 3 325 1 1 6 ALA HB2 H 4.976 4.585 3.894 1.00 . A A . 6 ALA HB2 1 1 3 326 1 1 6 ALA HB3 H 4.346 2.949 4.085 1.00 . A A . 6 ALA HB3 1 1 3 327 1 1 6 ALA N N 6.691 2.209 2.459 1.00 . A A . 6 ALA N 1 1 3 328 1 1 6 ALA O O 6.972 2.628 5.984 1.00 . A A . 6 ALA O 1 1 3 329 1 1 7 GLN C C 7.456 -1.022 5.748 1.00 . A A . 7 GLN C 1 1 3 330 1 1 7 GLN CA C 6.337 -0.003 5.986 1.00 . A A . 7 GLN CA 1 1 3 331 1 1 7 GLN CB C 4.976 -0.701 6.071 1.00 . A A . 7 GLN CB 1 1 3 332 1 1 7 GLN CD C 3.534 -2.419 4.969 1.00 . A A . 7 GLN CD 1 1 3 333 1 1 7 GLN CG C 4.685 -1.433 4.758 1.00 . A A . 7 GLN CG 1 1 3 334 1 1 7 GLN H H 5.924 0.572 3.952 1.00 . A A . 7 GLN H 1 1 3 335 1 1 7 GLN HA H 6.523 0.557 6.889 1.00 . A A . 7 GLN HA 1 1 3 336 1 1 7 GLN HB2 H 4.988 -1.411 6.885 1.00 . A A . 7 GLN HB2 1 1 3 337 1 1 7 GLN HB3 H 4.206 0.035 6.248 1.00 . A A . 7 GLN HB3 1 1 3 338 1 1 7 GLN HE21 H 4.383 -3.296 6.535 1.00 . A A . 7 GLN HE21 1 1 3 339 1 1 7 GLN HE22 H 2.868 -3.919 6.089 1.00 . A A . 7 GLN HE22 1 1 3 340 1 1 7 GLN HG2 H 4.410 -0.716 3.999 1.00 . A A . 7 GLN HG2 1 1 3 341 1 1 7 GLN HG3 H 5.565 -1.972 4.443 1.00 . A A . 7 GLN HG3 1 1 3 342 1 1 7 GLN N N 6.235 0.916 4.815 1.00 . A A . 7 GLN N 1 1 3 343 1 1 7 GLN NE2 N 3.601 -3.283 5.946 1.00 . A A . 7 GLN NE2 1 1 3 344 1 1 7 GLN O O 8.001 -1.588 6.676 1.00 . A A . 7 GLN O 1 1 3 345 1 1 7 GLN OE1 O 2.563 -2.403 4.238 1.00 . A A . 7 GLN OE1 1 1 3 346 1 1 8 GLY C C 8.271 -3.521 3.650 1.00 . A A . 8 GLY C 1 1 3 347 1 1 8 GLY CA C 8.886 -2.234 4.203 1.00 . A A . 8 GLY CA 1 1 3 348 1 1 8 GLY H H 7.350 -0.788 3.776 1.00 . A A . 8 GLY H 1 1 3 349 1 1 8 GLY HA2 H 9.555 -1.809 3.469 1.00 . A A . 8 GLY HA2 1 1 3 350 1 1 8 GLY HA3 H 9.433 -2.458 5.105 1.00 . A A . 8 GLY HA3 1 1 3 351 1 1 8 GLY N N 7.802 -1.256 4.509 1.00 . A A . 8 GLY N 1 1 3 352 1 1 8 GLY O O 8.601 -4.610 4.076 1.00 . A A . 8 GLY O 1 1 3 353 1 1 9 MET C C 7.087 -4.730 0.629 1.00 . A A . 9 MET C 1 1 3 354 1 1 9 MET CA C 6.743 -4.617 2.117 1.00 . A A . 9 MET CA 1 1 3 355 1 1 9 MET CB C 5.240 -4.405 2.305 1.00 . A A . 9 MET CB 1 1 3 356 1 1 9 MET CE C 3.365 -6.987 1.958 1.00 . A A . 9 MET CE 1 1 3 357 1 1 9 MET CG C 4.750 -5.230 3.497 1.00 . A A . 9 MET CG 1 1 3 358 1 1 9 MET H H 7.131 -2.514 2.374 1.00 . A A . 9 MET H 1 1 3 359 1 1 9 MET HA H 7.060 -5.502 2.646 1.00 . A A . 9 MET HA 1 1 3 360 1 1 9 MET HB2 H 5.045 -3.357 2.487 1.00 . A A . 9 MET HB2 1 1 3 361 1 1 9 MET HB3 H 4.717 -4.718 1.413 1.00 . A A . 9 MET HB3 1 1 3 362 1 1 9 MET HE1 H 4.053 -6.587 1.227 1.00 . A A . 9 MET HE1 1 1 3 363 1 1 9 MET HE2 H 2.444 -7.260 1.468 1.00 . A A . 9 MET HE2 1 1 3 364 1 1 9 MET HE3 H 3.796 -7.861 2.425 1.00 . A A . 9 MET HE3 1 1 3 365 1 1 9 MET HG2 H 5.368 -6.108 3.606 1.00 . A A . 9 MET HG2 1 1 3 366 1 1 9 MET HG3 H 4.809 -4.634 4.396 1.00 . A A . 9 MET HG3 1 1 3 367 1 1 9 MET N N 7.381 -3.402 2.702 1.00 . A A . 9 MET N 1 1 3 368 1 1 9 MET O O 7.079 -3.750 -0.088 1.00 . A A . 9 MET O 1 1 3 369 1 1 9 MET SD S 3.033 -5.733 3.220 1.00 . A A . 9 MET SD 1 1 3 370 1 1 10 NH2 HN1 H 7.400 -6.689 0.709 1.00 . A A . 10 NH2 HN1 1 1 3 371 1 1 10 NH2 HN2 H 7.615 -5.981 -0.818 1.00 . A A . 10 NH2 HN2 1 1 3 372 1 1 10 NH2 N N 7.393 -5.897 0.132 1.00 . A A . 10 NH2 N 1 1 4 373 1 1 1 SER C C 5.347 2.527 -4.027 1.00 . A A . 1 SER C 1 1 4 374 1 1 1 SER CA C 4.564 1.995 -5.231 1.00 . A A . 1 SER CA 1 1 4 375 1 1 1 SER CB C 3.164 2.606 -5.274 1.00 . A A . 1 SER CB 1 1 4 376 1 1 1 SER H1 H 3.705 0.199 -5.848 1.00 . A A . 1 SER H1 1 1 4 377 1 1 1 SER H2 H 3.912 0.328 -4.167 1.00 . A A . 1 SER H2 1 1 4 378 1 1 1 SER H3 H 5.251 0.028 -5.169 1.00 . A A . 1 SER H3 1 1 4 379 1 1 1 SER HA H 5.090 2.212 -6.148 1.00 . A A . 1 SER HA 1 1 4 380 1 1 1 SER HB2 H 3.237 3.680 -5.251 1.00 . A A . 1 SER HB2 1 1 4 381 1 1 1 SER HB3 H 2.668 2.300 -6.187 1.00 . A A . 1 SER HB3 1 1 4 382 1 1 1 SER HG H 1.722 1.586 -4.457 1.00 . A A . 1 SER HG 1 1 4 383 1 1 1 SER N N 4.342 0.527 -5.094 1.00 . A A . 1 SER N 1 1 4 384 1 1 1 SER O O 5.826 1.771 -3.204 1.00 . A A . 1 SER O 1 1 4 385 1 1 1 SER OG O 2.424 2.161 -4.145 1.00 . A A . 1 SER OG 1 1 4 386 1 1 2 VAL C C 5.583 3.987 -1.443 1.00 . A A . 2 VAL C 1 1 4 387 1 1 2 VAL CA C 6.232 4.405 -2.768 1.00 . A A . 2 VAL CA 1 1 4 388 1 1 2 VAL CB C 6.148 5.923 -2.960 1.00 . A A . 2 VAL CB 1 1 4 389 1 1 2 VAL CG1 C 4.685 6.371 -2.931 1.00 . A A . 2 VAL CG1 1 1 4 390 1 1 2 VAL CG2 C 6.917 6.621 -1.836 1.00 . A A . 2 VAL CG2 1 1 4 391 1 1 2 VAL H H 5.085 4.412 -4.595 1.00 . A A . 2 VAL H 1 1 4 392 1 1 2 VAL HA H 7.262 4.088 -2.796 1.00 . A A . 2 VAL HA 1 1 4 393 1 1 2 VAL HB H 6.584 6.188 -3.913 1.00 . A A . 2 VAL HB 1 1 4 394 1 1 2 VAL HG11 H 4.078 5.660 -3.472 1.00 . A A . 2 VAL HG11 1 1 4 395 1 1 2 VAL HG12 H 4.597 7.344 -3.392 1.00 . A A . 2 VAL HG12 1 1 4 396 1 1 2 VAL HG13 H 4.346 6.428 -1.907 1.00 . A A . 2 VAL HG13 1 1 4 397 1 1 2 VAL HG21 H 7.940 6.277 -1.830 1.00 . A A . 2 VAL HG21 1 1 4 398 1 1 2 VAL HG22 H 6.454 6.392 -0.887 1.00 . A A . 2 VAL HG22 1 1 4 399 1 1 2 VAL HG23 H 6.898 7.689 -1.996 1.00 . A A . 2 VAL HG23 1 1 4 400 1 1 2 VAL N N 5.479 3.823 -3.919 1.00 . A A . 2 VAL N 1 1 4 401 1 1 2 VAL O O 6.261 3.701 -0.475 1.00 . A A . 2 VAL O 1 1 4 402 1 1 3 ALA C C 3.892 2.080 0.189 1.00 . A A . 3 ALA C 1 1 4 403 1 1 3 ALA CA C 3.589 3.547 -0.134 1.00 . A A . 3 ALA CA 1 1 4 404 1 1 3 ALA CB C 2.099 3.736 -0.416 1.00 . A A . 3 ALA CB 1 1 4 405 1 1 3 ALA H H 3.753 4.181 -2.188 1.00 . A A . 3 ALA H 1 1 4 406 1 1 3 ALA HA H 3.893 4.183 0.682 1.00 . A A . 3 ALA HA 1 1 4 407 1 1 3 ALA HB1 H 1.614 4.138 0.460 1.00 . A A . 3 ALA HB1 1 1 4 408 1 1 3 ALA HB2 H 1.657 2.783 -0.668 1.00 . A A . 3 ALA HB2 1 1 4 409 1 1 3 ALA HB3 H 1.974 4.420 -1.243 1.00 . A A . 3 ALA HB3 1 1 4 410 1 1 3 ALA N N 4.279 3.949 -1.395 1.00 . A A . 3 ALA N 1 1 4 411 1 1 3 ALA O O 3.773 1.647 1.319 1.00 . A A . 3 ALA O 1 1 4 412 1 1 4 GLY C C 5.792 -0.221 0.405 1.00 . A A . 4 GLY C 1 1 4 413 1 1 4 GLY CA C 4.599 -0.122 -0.544 1.00 . A A . 4 GLY CA 1 1 4 414 1 1 4 GLY H H 4.377 1.685 -1.697 1.00 . A A . 4 GLY H 1 1 4 415 1 1 4 GLY HA2 H 3.741 -0.605 -0.100 1.00 . A A . 4 GLY HA2 1 1 4 416 1 1 4 GLY HA3 H 4.845 -0.606 -1.477 1.00 . A A . 4 GLY HA3 1 1 4 417 1 1 4 GLY N N 4.286 1.315 -0.794 1.00 . A A . 4 GLY N 1 1 4 418 1 1 4 GLY O O 5.842 -1.079 1.265 1.00 . A A . 4 GLY O 1 1 4 419 1 1 5 ARG C C 7.692 1.466 2.407 1.00 . A A . 5 ARG C 1 1 4 420 1 1 5 ARG CA C 7.938 0.611 1.159 1.00 . A A . 5 ARG CA 1 1 4 421 1 1 5 ARG CB C 9.088 1.186 0.333 1.00 . A A . 5 ARG CB 1 1 4 422 1 1 5 ARG CD C 11.213 0.380 -0.708 1.00 . A A . 5 ARG CD 1 1 4 423 1 1 5 ARG CG C 9.728 0.071 -0.496 1.00 . A A . 5 ARG CG 1 1 4 424 1 1 5 ARG CZ C 13.152 0.232 0.761 1.00 . A A . 5 ARG CZ 1 1 4 425 1 1 5 ARG H H 6.686 1.340 -0.439 1.00 . A A . 5 ARG H 1 1 4 426 1 1 5 ARG HA H 8.161 -0.406 1.439 1.00 . A A . 5 ARG HA 1 1 4 427 1 1 5 ARG HB2 H 8.709 1.953 -0.325 1.00 . A A . 5 ARG HB2 1 1 4 428 1 1 5 ARG HB3 H 9.828 1.609 0.995 1.00 . A A . 5 ARG HB3 1 1 4 429 1 1 5 ARG HD2 H 11.602 -0.202 -1.533 1.00 . A A . 5 ARG HD2 1 1 4 430 1 1 5 ARG HD3 H 11.356 1.434 -0.889 1.00 . A A . 5 ARG HD3 1 1 4 431 1 1 5 ARG HE H 11.359 -0.460 1.271 1.00 . A A . 5 ARG HE 1 1 4 432 1 1 5 ARG HG2 H 9.627 -0.870 0.027 1.00 . A A . 5 ARG HG2 1 1 4 433 1 1 5 ARG HG3 H 9.236 0.006 -1.454 1.00 . A A . 5 ARG HG3 1 1 4 434 1 1 5 ARG HH11 H 13.443 1.100 -1.024 1.00 . A A . 5 ARG HH11 1 1 4 435 1 1 5 ARG HH12 H 14.836 1.008 0.000 1.00 . A A . 5 ARG HH12 1 1 4 436 1 1 5 ARG HH21 H 13.176 -0.576 2.594 1.00 . A A . 5 ARG HH21 1 1 4 437 1 1 5 ARG HH22 H 14.686 0.064 2.037 1.00 . A A . 5 ARG HH22 1 1 4 438 1 1 5 ARG N N 6.750 0.653 0.259 1.00 . A A . 5 ARG N 1 1 4 439 1 1 5 ARG NE N 11.878 -0.014 0.569 1.00 . A A . 5 ARG NE 1 1 4 440 1 1 5 ARG NH1 N 13.865 0.827 -0.160 1.00 . A A . 5 ARG NH1 1 1 4 441 1 1 5 ARG NH2 N 13.715 -0.121 1.885 1.00 . A A . 5 ARG NH2 1 1 4 442 1 1 5 ARG O O 8.526 1.535 3.289 1.00 . A A . 5 ARG O 1 1 4 443 1 1 6 ALA C C 6.480 2.122 4.964 1.00 . A A . 6 ALA C 1 1 4 444 1 1 6 ALA CA C 6.260 2.951 3.697 1.00 . A A . 6 ALA CA 1 1 4 445 1 1 6 ALA CB C 4.789 3.344 3.558 1.00 . A A . 6 ALA CB 1 1 4 446 1 1 6 ALA H H 5.892 2.039 1.777 1.00 . A A . 6 ALA H 1 1 4 447 1 1 6 ALA HA H 6.882 3.831 3.706 1.00 . A A . 6 ALA HA 1 1 4 448 1 1 6 ALA HB1 H 4.172 2.614 4.061 1.00 . A A . 6 ALA HB1 1 1 4 449 1 1 6 ALA HB2 H 4.522 3.380 2.513 1.00 . A A . 6 ALA HB2 1 1 4 450 1 1 6 ALA HB3 H 4.632 4.315 4.004 1.00 . A A . 6 ALA HB3 1 1 4 451 1 1 6 ALA N N 6.554 2.112 2.495 1.00 . A A . 6 ALA N 1 1 4 452 1 1 6 ALA O O 6.919 2.622 5.982 1.00 . A A . 6 ALA O 1 1 4 453 1 1 7 GLN C C 7.517 -1.041 5.778 1.00 . A A . 7 GLN C 1 1 4 454 1 1 7 GLN CA C 6.397 -0.035 6.074 1.00 . A A . 7 GLN CA 1 1 4 455 1 1 7 GLN CB C 5.060 -0.753 6.277 1.00 . A A . 7 GLN CB 1 1 4 456 1 1 7 GLN CD C 3.580 -0.722 4.261 1.00 . A A . 7 GLN CD 1 1 4 457 1 1 7 GLN CG C 4.670 -1.502 4.998 1.00 . A A . 7 GLN CG 1 1 4 458 1 1 7 GLN H H 5.854 0.475 4.055 1.00 . A A . 7 GLN H 1 1 4 459 1 1 7 GLN HA H 6.639 0.550 6.947 1.00 . A A . 7 GLN HA 1 1 4 460 1 1 7 GLN HB2 H 5.153 -1.458 7.092 1.00 . A A . 7 GLN HB2 1 1 4 461 1 1 7 GLN HB3 H 4.296 -0.028 6.515 1.00 . A A . 7 GLN HB3 1 1 4 462 1 1 7 GLN HE21 H 4.652 -0.518 2.602 1.00 . A A . 7 GLN HE21 1 1 4 463 1 1 7 GLN HE22 H 3.105 0.180 2.557 1.00 . A A . 7 GLN HE22 1 1 4 464 1 1 7 GLN HG2 H 5.535 -1.602 4.361 1.00 . A A . 7 GLN HG2 1 1 4 465 1 1 7 GLN HG3 H 4.297 -2.481 5.255 1.00 . A A . 7 GLN HG3 1 1 4 466 1 1 7 GLN N N 6.194 0.851 4.894 1.00 . A A . 7 GLN N 1 1 4 467 1 1 7 GLN NE2 N 3.796 -0.319 3.038 1.00 . A A . 7 GLN NE2 1 1 4 468 1 1 7 GLN O O 8.092 -1.624 6.676 1.00 . A A . 7 GLN O 1 1 4 469 1 1 7 GLN OE1 O 2.520 -0.476 4.801 1.00 . A A . 7 GLN OE1 1 1 4 470 1 1 8 GLY C C 8.302 -3.464 3.546 1.00 . A A . 8 GLY C 1 1 4 471 1 1 8 GLY CA C 8.914 -2.206 4.166 1.00 . A A . 8 GLY CA 1 1 4 472 1 1 8 GLY H H 7.355 -0.763 3.813 1.00 . A A . 8 GLY H 1 1 4 473 1 1 8 GLY HA2 H 9.583 -1.743 3.455 1.00 . A A . 8 GLY HA2 1 1 4 474 1 1 8 GLY HA3 H 9.463 -2.477 5.055 1.00 . A A . 8 GLY HA3 1 1 4 475 1 1 8 GLY N N 7.831 -1.246 4.523 1.00 . A A . 8 GLY N 1 1 4 476 1 1 8 GLY O O 8.847 -4.546 3.651 1.00 . A A . 8 GLY O 1 1 4 477 1 1 9 MET C C 5.308 -4.084 1.445 1.00 . A A . 9 MET C 1 1 4 478 1 1 9 MET CA C 6.525 -4.520 2.267 1.00 . A A . 9 MET CA 1 1 4 479 1 1 9 MET CB C 6.093 -5.414 3.434 1.00 . A A . 9 MET CB 1 1 4 480 1 1 9 MET CE C 3.957 -4.539 6.797 1.00 . A A . 9 MET CE 1 1 4 481 1 1 9 MET CG C 5.147 -4.644 4.357 1.00 . A A . 9 MET CG 1 1 4 482 1 1 9 MET H H 6.754 -2.448 2.826 1.00 . A A . 9 MET H 1 1 4 483 1 1 9 MET HA H 7.231 -5.044 1.644 1.00 . A A . 9 MET HA 1 1 4 484 1 1 9 MET HB2 H 5.588 -6.288 3.048 1.00 . A A . 9 MET HB2 1 1 4 485 1 1 9 MET HB3 H 6.965 -5.722 3.992 1.00 . A A . 9 MET HB3 1 1 4 486 1 1 9 MET HE1 H 4.845 -4.045 7.166 1.00 . A A . 9 MET HE1 1 1 4 487 1 1 9 MET HE2 H 3.449 -5.018 7.618 1.00 . A A . 9 MET HE2 1 1 4 488 1 1 9 MET HE3 H 3.298 -3.814 6.341 1.00 . A A . 9 MET HE3 1 1 4 489 1 1 9 MET HG2 H 5.697 -3.870 4.873 1.00 . A A . 9 MET HG2 1 1 4 490 1 1 9 MET HG3 H 4.358 -4.195 3.772 1.00 . A A . 9 MET HG3 1 1 4 491 1 1 9 MET N N 7.174 -3.330 2.899 1.00 . A A . 9 MET N 1 1 4 492 1 1 9 MET O O 4.608 -3.161 1.808 1.00 . A A . 9 MET O 1 1 4 493 1 1 9 MET SD S 4.427 -5.781 5.568 1.00 . A A . 9 MET SD 1 1 4 494 1 1 10 NH2 HN1 H 5.588 -5.465 0.046 1.00 . A A . 10 NH2 HN1 1 1 4 495 1 1 10 NH2 HN2 H 4.248 -4.451 -0.193 1.00 . A A . 10 NH2 HN2 1 1 4 496 1 1 10 NH2 N N 5.025 -4.719 0.341 1.00 . A A . 10 NH2 N 1 1 5 497 1 1 1 SER C C 6.194 2.653 -3.585 1.00 . A A . 1 SER C 1 1 5 498 1 1 1 SER CA C 5.869 2.021 -4.941 1.00 . A A . 1 SER CA 1 1 5 499 1 1 1 SER CB C 4.366 2.072 -5.210 1.00 . A A . 1 SER CB 1 1 5 500 1 1 1 SER H1 H 7.242 0.456 -4.862 1.00 . A A . 1 SER H1 1 1 5 501 1 1 1 SER H2 H 5.868 0.126 -5.806 1.00 . A A . 1 SER H2 1 1 5 502 1 1 1 SER H3 H 5.760 0.114 -4.110 1.00 . A A . 1 SER H3 1 1 5 503 1 1 1 SER HA H 6.402 2.528 -5.731 1.00 . A A . 1 SER HA 1 1 5 504 1 1 1 SER HB2 H 4.032 3.096 -5.203 1.00 . A A . 1 SER HB2 1 1 5 505 1 1 1 SER HB3 H 4.160 1.635 -6.178 1.00 . A A . 1 SER HB3 1 1 5 506 1 1 1 SER HG H 3.170 0.657 -4.616 1.00 . A A . 1 SER HG 1 1 5 507 1 1 1 SER N N 6.211 0.570 -4.929 1.00 . A A . 1 SER N 1 1 5 508 1 1 1 SER O O 6.565 1.974 -2.647 1.00 . A A . 1 SER O 1 1 5 509 1 1 1 SER OG O 3.684 1.350 -4.193 1.00 . A A . 1 SER OG 1 1 5 510 1 1 2 VAL C C 5.448 4.084 -1.073 1.00 . A A . 2 VAL C 1 1 5 511 1 1 2 VAL CA C 6.360 4.625 -2.179 1.00 . A A . 2 VAL CA 1 1 5 512 1 1 2 VAL CB C 6.086 6.111 -2.431 1.00 . A A . 2 VAL CB 1 1 5 513 1 1 2 VAL CG1 C 4.615 6.313 -2.803 1.00 . A A . 2 VAL CG1 1 1 5 514 1 1 2 VAL CG2 C 6.403 6.909 -1.164 1.00 . A A . 2 VAL CG2 1 1 5 515 1 1 2 VAL H H 5.759 4.473 -4.246 1.00 . A A . 2 VAL H 1 1 5 516 1 1 2 VAL HA H 7.395 4.482 -1.914 1.00 . A A . 2 VAL HA 1 1 5 517 1 1 2 VAL HB H 6.711 6.458 -3.241 1.00 . A A . 2 VAL HB 1 1 5 518 1 1 2 VAL HG11 H 4.299 5.525 -3.470 1.00 . A A . 2 VAL HG11 1 1 5 519 1 1 2 VAL HG12 H 4.496 7.268 -3.293 1.00 . A A . 2 VAL HG12 1 1 5 520 1 1 2 VAL HG13 H 4.011 6.290 -1.908 1.00 . A A . 2 VAL HG13 1 1 5 521 1 1 2 VAL HG21 H 5.556 6.873 -0.494 1.00 . A A . 2 VAL HG21 1 1 5 522 1 1 2 VAL HG22 H 6.610 7.935 -1.427 1.00 . A A . 2 VAL HG22 1 1 5 523 1 1 2 VAL HG23 H 7.266 6.481 -0.676 1.00 . A A . 2 VAL HG23 1 1 5 524 1 1 2 VAL N N 6.058 3.948 -3.475 1.00 . A A . 2 VAL N 1 1 5 525 1 1 2 VAL O O 5.863 3.908 0.056 1.00 . A A . 2 VAL O 1 1 5 526 1 1 3 ALA C C 3.585 1.816 -0.063 1.00 . A A . 3 ALA C 1 1 5 527 1 1 3 ALA CA C 3.271 3.285 -0.362 1.00 . A A . 3 ALA CA 1 1 5 528 1 1 3 ALA CB C 1.882 3.419 -0.986 1.00 . A A . 3 ALA CB 1 1 5 529 1 1 3 ALA H H 3.899 3.967 -2.309 1.00 . A A . 3 ALA H 1 1 5 530 1 1 3 ALA HA H 3.327 3.875 0.539 1.00 . A A . 3 ALA HA 1 1 5 531 1 1 3 ALA HB1 H 1.276 2.571 -0.701 1.00 . A A . 3 ALA HB1 1 1 5 532 1 1 3 ALA HB2 H 1.972 3.452 -2.062 1.00 . A A . 3 ALA HB2 1 1 5 533 1 1 3 ALA HB3 H 1.416 4.328 -0.637 1.00 . A A . 3 ALA HB3 1 1 5 534 1 1 3 ALA N N 4.210 3.818 -1.392 1.00 . A A . 3 ALA N 1 1 5 535 1 1 3 ALA O O 3.135 1.267 0.924 1.00 . A A . 3 ALA O 1 1 5 536 1 1 4 GLY C C 5.922 -0.343 0.240 1.00 . A A . 4 GLY C 1 1 5 537 1 1 4 GLY CA C 4.694 -0.255 -0.666 1.00 . A A . 4 GLY CA 1 1 5 538 1 1 4 GLY H H 4.707 1.637 -1.695 1.00 . A A . 4 GLY H 1 1 5 539 1 1 4 GLY HA2 H 3.857 -0.749 -0.191 1.00 . A A . 4 GLY HA2 1 1 5 540 1 1 4 GLY HA3 H 4.911 -0.736 -1.607 1.00 . A A . 4 GLY HA3 1 1 5 541 1 1 4 GLY N N 4.353 1.176 -0.906 1.00 . A A . 4 GLY N 1 1 5 542 1 1 4 GLY O O 6.095 -1.297 0.974 1.00 . A A . 4 GLY O 1 1 5 543 1 1 5 ARG C C 7.787 1.481 2.308 1.00 . A A . 5 ARG C 1 1 5 544 1 1 5 ARG CA C 7.991 0.616 1.059 1.00 . A A . 5 ARG CA 1 1 5 545 1 1 5 ARG CB C 9.111 1.184 0.188 1.00 . A A . 5 ARG CB 1 1 5 546 1 1 5 ARG CD C 11.532 1.805 0.193 1.00 . A A . 5 ARG CD 1 1 5 547 1 1 5 ARG CG C 10.461 0.935 0.860 1.00 . A A . 5 ARG CG 1 1 5 548 1 1 5 ARG CZ C 13.424 0.378 0.768 1.00 . A A . 5 ARG CZ 1 1 5 549 1 1 5 ARG H H 6.615 1.404 -0.401 1.00 . A A . 5 ARG H 1 1 5 550 1 1 5 ARG HA H 8.226 -0.397 1.341 1.00 . A A . 5 ARG HA 1 1 5 551 1 1 5 ARG HB2 H 9.094 0.697 -0.776 1.00 . A A . 5 ARG HB2 1 1 5 552 1 1 5 ARG HB3 H 8.964 2.244 0.060 1.00 . A A . 5 ARG HB3 1 1 5 553 1 1 5 ARG HD2 H 11.135 2.271 -0.697 1.00 . A A . 5 ARG HD2 1 1 5 554 1 1 5 ARG HD3 H 11.895 2.551 0.883 1.00 . A A . 5 ARG HD3 1 1 5 555 1 1 5 ARG HE H 12.764 0.598 -1.094 1.00 . A A . 5 ARG HE 1 1 5 556 1 1 5 ARG HG2 H 10.394 1.188 1.908 1.00 . A A . 5 ARG HG2 1 1 5 557 1 1 5 ARG HG3 H 10.730 -0.105 0.758 1.00 . A A . 5 ARG HG3 1 1 5 558 1 1 5 ARG HH11 H 12.529 1.330 2.291 1.00 . A A . 5 ARG HH11 1 1 5 559 1 1 5 ARG HH12 H 13.875 0.332 2.721 1.00 . A A . 5 ARG HH12 1 1 5 560 1 1 5 ARG HH21 H 14.511 -0.699 -0.523 1.00 . A A . 5 ARG HH21 1 1 5 561 1 1 5 ARG HH22 H 14.992 -0.812 1.137 1.00 . A A . 5 ARG HH22 1 1 5 562 1 1 5 ARG N N 6.775 0.644 0.197 1.00 . A A . 5 ARG N 1 1 5 563 1 1 5 ARG NE N 12.632 0.860 -0.159 1.00 . A A . 5 ARG NE 1 1 5 564 1 1 5 ARG NH1 N 13.262 0.707 2.025 1.00 . A A . 5 ARG NH1 1 1 5 565 1 1 5 ARG NH2 N 14.383 -0.441 0.434 1.00 . A A . 5 ARG NH2 1 1 5 566 1 1 5 ARG O O 8.611 1.489 3.202 1.00 . A A . 5 ARG O 1 1 5 567 1 1 6 ALA C C 6.627 2.208 4.855 1.00 . A A . 6 ALA C 1 1 5 568 1 1 6 ALA CA C 6.442 3.052 3.592 1.00 . A A . 6 ALA CA 1 1 5 569 1 1 6 ALA CB C 4.991 3.517 3.463 1.00 . A A . 6 ALA CB 1 1 5 570 1 1 6 ALA H H 6.035 2.178 1.661 1.00 . A A . 6 ALA H 1 1 5 571 1 1 6 ALA HA H 7.106 3.902 3.603 1.00 . A A . 6 ALA HA 1 1 5 572 1 1 6 ALA HB1 H 4.967 4.510 3.038 1.00 . A A . 6 ALA HB1 1 1 5 573 1 1 6 ALA HB2 H 4.529 3.532 4.438 1.00 . A A . 6 ALA HB2 1 1 5 574 1 1 6 ALA HB3 H 4.451 2.838 2.819 1.00 . A A . 6 ALA HB3 1 1 5 575 1 1 6 ALA N N 6.692 2.203 2.387 1.00 . A A . 6 ALA N 1 1 5 576 1 1 6 ALA O O 7.075 2.683 5.880 1.00 . A A . 6 ALA O 1 1 5 577 1 1 7 GLN C C 7.546 -1.007 5.624 1.00 . A A . 7 GLN C 1 1 5 578 1 1 7 GLN CA C 6.469 0.039 5.938 1.00 . A A . 7 GLN CA 1 1 5 579 1 1 7 GLN CB C 5.104 -0.627 6.131 1.00 . A A . 7 GLN CB 1 1 5 580 1 1 7 GLN CD C 3.689 -2.453 5.173 1.00 . A A . 7 GLN CD 1 1 5 581 1 1 7 GLN CG C 4.687 -1.343 4.842 1.00 . A A . 7 GLN CG 1 1 5 582 1 1 7 GLN H H 5.957 0.593 3.923 1.00 . A A . 7 GLN H 1 1 5 583 1 1 7 GLN HA H 6.735 0.603 6.817 1.00 . A A . 7 GLN HA 1 1 5 584 1 1 7 GLN HB2 H 5.166 -1.345 6.937 1.00 . A A . 7 GLN HB2 1 1 5 585 1 1 7 GLN HB3 H 4.368 0.124 6.375 1.00 . A A . 7 GLN HB3 1 1 5 586 1 1 7 GLN HE21 H 2.139 -1.485 4.398 1.00 . A A . 7 GLN HE21 1 1 5 587 1 1 7 GLN HE22 H 1.787 -3.009 5.058 1.00 . A A . 7 GLN HE22 1 1 5 588 1 1 7 GLN HG2 H 4.227 -0.632 4.170 1.00 . A A . 7 GLN HG2 1 1 5 589 1 1 7 GLN HG3 H 5.558 -1.772 4.371 1.00 . A A . 7 GLN HG3 1 1 5 590 1 1 7 GLN N N 6.302 0.948 4.769 1.00 . A A . 7 GLN N 1 1 5 591 1 1 7 GLN NE2 N 2.434 -2.303 4.850 1.00 . A A . 7 GLN NE2 1 1 5 592 1 1 7 GLN O O 8.062 -1.664 6.507 1.00 . A A . 7 GLN O 1 1 5 593 1 1 7 GLN OE1 O 4.054 -3.468 5.733 1.00 . A A . 7 GLN OE1 1 1 5 594 1 1 8 GLY C C 8.273 -3.524 3.787 1.00 . A A . 8 GLY C 1 1 5 595 1 1 8 GLY CA C 8.929 -2.158 3.990 1.00 . A A . 8 GLY CA 1 1 5 596 1 1 8 GLY H H 7.459 -0.621 3.675 1.00 . A A . 8 GLY H 1 1 5 597 1 1 8 GLY HA2 H 9.405 -1.845 3.070 1.00 . A A . 8 GLY HA2 1 1 5 598 1 1 8 GLY HA3 H 9.666 -2.227 4.773 1.00 . A A . 8 GLY HA3 1 1 5 599 1 1 8 GLY N N 7.887 -1.162 4.370 1.00 . A A . 8 GLY N 1 1 5 600 1 1 8 GLY O O 8.665 -4.508 4.386 1.00 . A A . 8 GLY O 1 1 5 601 1 1 9 MET C C 7.591 -5.939 2.200 1.00 . A A . 9 MET C 1 1 5 602 1 1 9 MET CA C 6.587 -4.895 2.699 1.00 . A A . 9 MET CA 1 1 5 603 1 1 9 MET CB C 5.544 -4.597 1.622 1.00 . A A . 9 MET CB 1 1 5 604 1 1 9 MET CE C 1.710 -3.563 1.638 1.00 . A A . 9 MET CE 1 1 5 605 1 1 9 MET CG C 4.332 -3.914 2.258 1.00 . A A . 9 MET CG 1 1 5 606 1 1 9 MET H H 6.978 -2.784 2.477 1.00 . A A . 9 MET H 1 1 5 607 1 1 9 MET HA H 6.101 -5.240 3.598 1.00 . A A . 9 MET HA 1 1 5 608 1 1 9 MET HB2 H 5.974 -3.945 0.875 1.00 . A A . 9 MET HB2 1 1 5 609 1 1 9 MET HB3 H 5.232 -5.520 1.157 1.00 . A A . 9 MET HB3 1 1 5 610 1 1 9 MET HE1 H 1.815 -4.383 2.334 1.00 . A A . 9 MET HE1 1 1 5 611 1 1 9 MET HE2 H 1.055 -3.858 0.834 1.00 . A A . 9 MET HE2 1 1 5 612 1 1 9 MET HE3 H 1.290 -2.704 2.143 1.00 . A A . 9 MET HE3 1 1 5 613 1 1 9 MET HG2 H 3.735 -4.651 2.777 1.00 . A A . 9 MET HG2 1 1 5 614 1 1 9 MET HG3 H 4.667 -3.165 2.959 1.00 . A A . 9 MET HG3 1 1 5 615 1 1 9 MET N N 7.275 -3.592 2.946 1.00 . A A . 9 MET N 1 1 5 616 1 1 9 MET O O 8.678 -5.605 1.771 1.00 . A A . 9 MET O 1 1 5 617 1 1 9 MET SD S 3.334 -3.130 0.967 1.00 . A A . 9 MET SD 1 1 5 618 1 1 10 NH2 HN1 H 6.392 -7.475 2.583 1.00 . A A . 10 NH2 HN1 1 1 5 619 1 1 10 NH2 HN2 H 7.903 -7.880 1.922 1.00 . A A . 10 NH2 HN2 1 1 5 620 1 1 10 NH2 N N 7.268 -7.203 2.237 1.00 . A A . 10 NH2 N 1 1 6 621 1 1 1 SER C C 6.422 2.365 -3.878 1.00 . A A . 1 SER C 1 1 6 622 1 1 1 SER CA C 6.004 1.605 -5.140 1.00 . A A . 1 SER CA 1 1 6 623 1 1 1 SER CB C 4.519 1.250 -5.084 1.00 . A A . 1 SER CB 1 1 6 624 1 1 1 SER H1 H 6.420 -0.211 -6.071 1.00 . A A . 1 SER H1 1 1 6 625 1 1 1 SER H2 H 6.472 -0.275 -4.374 1.00 . A A . 1 SER H2 1 1 6 626 1 1 1 SER H3 H 7.739 0.456 -5.239 1.00 . A A . 1 SER H3 1 1 6 627 1 1 1 SER HA H 6.209 2.194 -6.020 1.00 . A A . 1 SER HA 1 1 6 628 1 1 1 SER HB2 H 4.380 0.376 -4.468 1.00 . A A . 1 SER HB2 1 1 6 629 1 1 1 SER HB3 H 3.967 2.078 -4.659 1.00 . A A . 1 SER HB3 1 1 6 630 1 1 1 SER HG H 3.141 1.274 -6.456 1.00 . A A . 1 SER HG 1 1 6 631 1 1 1 SER N N 6.713 0.295 -5.212 1.00 . A A . 1 SER N 1 1 6 632 1 1 1 SER O O 7.196 1.877 -3.078 1.00 . A A . 1 SER O 1 1 6 633 1 1 1 SER OG O 4.052 0.976 -6.398 1.00 . A A . 1 SER OG 1 1 6 634 1 1 2 VAL C C 5.516 3.824 -1.268 1.00 . A A . 2 VAL C 1 1 6 635 1 1 2 VAL CA C 6.280 4.348 -2.485 1.00 . A A . 2 VAL CA 1 1 6 636 1 1 2 VAL CB C 5.864 5.784 -2.807 1.00 . A A . 2 VAL CB 1 1 6 637 1 1 2 VAL CG1 C 6.192 6.695 -1.622 1.00 . A A . 2 VAL CG1 1 1 6 638 1 1 2 VAL CG2 C 6.623 6.269 -4.044 1.00 . A A . 2 VAL CG2 1 1 6 639 1 1 2 VAL H H 5.292 3.926 -4.355 1.00 . A A . 2 VAL H 1 1 6 640 1 1 2 VAL HA H 7.344 4.301 -2.311 1.00 . A A . 2 VAL HA 1 1 6 641 1 1 2 VAL HB H 4.800 5.815 -3.000 1.00 . A A . 2 VAL HB 1 1 6 642 1 1 2 VAL HG11 H 7.206 7.056 -1.716 1.00 . A A . 2 VAL HG11 1 1 6 643 1 1 2 VAL HG12 H 6.094 6.138 -0.701 1.00 . A A . 2 VAL HG12 1 1 6 644 1 1 2 VAL HG13 H 5.511 7.532 -1.611 1.00 . A A . 2 VAL HG13 1 1 6 645 1 1 2 VAL HG21 H 6.778 5.442 -4.721 1.00 . A A . 2 VAL HG21 1 1 6 646 1 1 2 VAL HG22 H 7.579 6.672 -3.745 1.00 . A A . 2 VAL HG22 1 1 6 647 1 1 2 VAL HG23 H 6.048 7.038 -4.541 1.00 . A A . 2 VAL HG23 1 1 6 648 1 1 2 VAL N N 5.915 3.554 -3.696 1.00 . A A . 2 VAL N 1 1 6 649 1 1 2 VAL O O 6.103 3.406 -0.287 1.00 . A A . 2 VAL O 1 1 6 650 1 1 3 ALA C C 3.750 1.871 0.113 1.00 . A A . 3 ALA C 1 1 6 651 1 1 3 ALA CA C 3.406 3.337 -0.173 1.00 . A A . 3 ALA CA 1 1 6 652 1 1 3 ALA CB C 1.950 3.467 -0.618 1.00 . A A . 3 ALA CB 1 1 6 653 1 1 3 ALA H H 3.762 4.176 -2.127 1.00 . A A . 3 ALA H 1 1 6 654 1 1 3 ALA HA H 3.581 3.942 0.702 1.00 . A A . 3 ALA HA 1 1 6 655 1 1 3 ALA HB1 H 1.297 3.262 0.219 1.00 . A A . 3 ALA HB1 1 1 6 656 1 1 3 ALA HB2 H 1.751 2.761 -1.411 1.00 . A A . 3 ALA HB2 1 1 6 657 1 1 3 ALA HB3 H 1.772 4.470 -0.975 1.00 . A A . 3 ALA HB3 1 1 6 658 1 1 3 ALA N N 4.212 3.839 -1.325 1.00 . A A . 3 ALA N 1 1 6 659 1 1 3 ALA O O 3.480 1.358 1.182 1.00 . A A . 3 ALA O 1 1 6 660 1 1 4 GLY C C 5.909 -0.320 0.322 1.00 . A A . 4 GLY C 1 1 6 661 1 1 4 GLY CA C 4.706 -0.237 -0.616 1.00 . A A . 4 GLY CA 1 1 6 662 1 1 4 GLY H H 4.555 1.625 -1.689 1.00 . A A . 4 GLY H 1 1 6 663 1 1 4 GLY HA2 H 3.868 -0.757 -0.175 1.00 . A A . 4 GLY HA2 1 1 6 664 1 1 4 GLY HA3 H 4.959 -0.694 -1.561 1.00 . A A . 4 GLY HA3 1 1 6 665 1 1 4 GLY N N 4.345 1.193 -0.834 1.00 . A A . 4 GLY N 1 1 6 666 1 1 4 GLY O O 6.036 -1.241 1.105 1.00 . A A . 4 GLY O 1 1 6 667 1 1 5 ARG C C 7.758 1.494 2.378 1.00 . A A . 5 ARG C 1 1 6 668 1 1 5 ARG CA C 7.990 0.615 1.145 1.00 . A A . 5 ARG CA 1 1 6 669 1 1 5 ARG CB C 9.133 1.170 0.297 1.00 . A A . 5 ARG CB 1 1 6 670 1 1 5 ARG CD C 10.789 0.614 -1.492 1.00 . A A . 5 ARG CD 1 1 6 671 1 1 5 ARG CG C 9.525 0.144 -0.767 1.00 . A A . 5 ARG CG 1 1 6 672 1 1 5 ARG CZ C 13.162 0.352 -1.000 1.00 . A A . 5 ARG CZ 1 1 6 673 1 1 5 ARG H H 6.672 1.373 -0.385 1.00 . A A . 5 ARG H 1 1 6 674 1 1 5 ARG HA H 8.214 -0.397 1.443 1.00 . A A . 5 ARG HA 1 1 6 675 1 1 5 ARG HB2 H 8.815 2.084 -0.181 1.00 . A A . 5 ARG HB2 1 1 6 676 1 1 5 ARG HB3 H 9.985 1.372 0.930 1.00 . A A . 5 ARG HB3 1 1 6 677 1 1 5 ARG HD2 H 10.809 0.226 -2.501 1.00 . A A . 5 ARG HD2 1 1 6 678 1 1 5 ARG HD3 H 10.839 1.691 -1.500 1.00 . A A . 5 ARG HD3 1 1 6 679 1 1 5 ARG HE H 11.737 -0.537 0.063 1.00 . A A . 5 ARG HE 1 1 6 680 1 1 5 ARG HG2 H 9.713 -0.810 -0.295 1.00 . A A . 5 ARG HG2 1 1 6 681 1 1 5 ARG HG3 H 8.722 0.041 -1.481 1.00 . A A . 5 ARG HG3 1 1 6 682 1 1 5 ARG HH11 H 12.693 1.528 -2.557 1.00 . A A . 5 ARG HH11 1 1 6 683 1 1 5 ARG HH12 H 14.383 1.360 -2.229 1.00 . A A . 5 ARG HH12 1 1 6 684 1 1 5 ARG HH21 H 13.937 -0.750 0.482 1.00 . A A . 5 ARG HH21 1 1 6 685 1 1 5 ARG HH22 H 15.086 0.077 -0.518 1.00 . A A . 5 ARG HH22 1 1 6 686 1 1 5 ARG N N 6.795 0.638 0.252 1.00 . A A . 5 ARG N 1 1 6 687 1 1 5 ARG NE N 11.922 0.056 -0.695 1.00 . A A . 5 ARG NE 1 1 6 688 1 1 5 ARG NH1 N 13.433 1.142 -2.007 1.00 . A A . 5 ARG NH1 1 1 6 689 1 1 5 ARG NH2 N 14.138 -0.146 -0.291 1.00 . A A . 5 ARG NH2 1 1 6 690 1 1 5 ARG O O 8.594 1.569 3.258 1.00 . A A . 5 ARG O 1 1 6 691 1 1 6 ALA C C 6.551 2.209 4.928 1.00 . A A . 6 ALA C 1 1 6 692 1 1 6 ALA CA C 6.349 3.018 3.646 1.00 . A A . 6 ALA CA 1 1 6 693 1 1 6 ALA CB C 4.885 3.439 3.500 1.00 . A A . 6 ALA CB 1 1 6 694 1 1 6 ALA H H 5.963 2.079 1.742 1.00 . A A . 6 ALA H 1 1 6 695 1 1 6 ALA HA H 6.988 3.888 3.641 1.00 . A A . 6 ALA HA 1 1 6 696 1 1 6 ALA HB1 H 4.638 3.525 2.452 1.00 . A A . 6 ALA HB1 1 1 6 697 1 1 6 ALA HB2 H 4.735 4.392 3.986 1.00 . A A . 6 ALA HB2 1 1 6 698 1 1 6 ALA HB3 H 4.251 2.696 3.960 1.00 . A A . 6 ALA HB3 1 1 6 699 1 1 6 ALA N N 6.627 2.155 2.458 1.00 . A A . 6 ALA N 1 1 6 700 1 1 6 ALA O O 6.946 2.730 5.953 1.00 . A A . 6 ALA O 1 1 6 701 1 1 7 GLN C C 7.601 -0.948 5.796 1.00 . A A . 7 GLN C 1 1 6 702 1 1 7 GLN CA C 6.481 0.063 6.062 1.00 . A A . 7 GLN CA 1 1 6 703 1 1 7 GLN CB C 5.139 -0.647 6.264 1.00 . A A . 7 GLN CB 1 1 6 704 1 1 7 GLN CD C 3.530 -2.280 5.271 1.00 . A A . 7 GLN CD 1 1 6 705 1 1 7 GLN CG C 4.747 -1.398 4.989 1.00 . A A . 7 GLN CG 1 1 6 706 1 1 7 GLN H H 5.988 0.538 4.021 1.00 . A A . 7 GLN H 1 1 6 707 1 1 7 GLN HA H 6.715 0.663 6.927 1.00 . A A . 7 GLN HA 1 1 6 708 1 1 7 GLN HB2 H 5.224 -1.348 7.081 1.00 . A A . 7 GLN HB2 1 1 6 709 1 1 7 GLN HB3 H 4.378 0.084 6.496 1.00 . A A . 7 GLN HB3 1 1 6 710 1 1 7 GLN HE21 H 2.849 -2.181 3.409 1.00 . A A . 7 GLN HE21 1 1 6 711 1 1 7 GLN HE22 H 1.911 -3.110 4.476 1.00 . A A . 7 GLN HE22 1 1 6 712 1 1 7 GLN HG2 H 4.503 -0.686 4.213 1.00 . A A . 7 GLN HG2 1 1 6 713 1 1 7 GLN HG3 H 5.571 -2.015 4.666 1.00 . A A . 7 GLN HG3 1 1 6 714 1 1 7 GLN N N 6.295 0.931 4.864 1.00 . A A . 7 GLN N 1 1 6 715 1 1 7 GLN NE2 N 2.695 -2.546 4.305 1.00 . A A . 7 GLN NE2 1 1 6 716 1 1 7 GLN O O 8.253 -1.420 6.707 1.00 . A A . 7 GLN O 1 1 6 717 1 1 7 GLN OE1 O 3.337 -2.731 6.383 1.00 . A A . 7 GLN OE1 1 1 6 718 1 1 8 GLY C C 8.327 -3.513 3.609 1.00 . A A . 8 GLY C 1 1 6 719 1 1 8 GLY CA C 8.924 -2.243 4.222 1.00 . A A . 8 GLY CA 1 1 6 720 1 1 8 GLY H H 7.305 -0.877 3.829 1.00 . A A . 8 GLY H 1 1 6 721 1 1 8 GLY HA2 H 9.605 -1.790 3.516 1.00 . A A . 8 GLY HA2 1 1 6 722 1 1 8 GLY HA3 H 9.459 -2.501 5.122 1.00 . A A . 8 GLY HA3 1 1 6 723 1 1 8 GLY N N 7.837 -1.276 4.550 1.00 . A A . 8 GLY N 1 1 6 724 1 1 8 GLY O O 8.854 -4.596 3.770 1.00 . A A . 8 GLY O 1 1 6 725 1 1 9 MET C C 5.433 -4.173 1.382 1.00 . A A . 9 MET C 1 1 6 726 1 1 9 MET CA C 6.608 -4.592 2.271 1.00 . A A . 9 MET CA 1 1 6 727 1 1 9 MET CB C 6.117 -5.455 3.439 1.00 . A A . 9 MET CB 1 1 6 728 1 1 9 MET CE C 5.166 -5.742 6.804 1.00 . A A . 9 MET CE 1 1 6 729 1 1 9 MET CG C 5.157 -4.647 4.318 1.00 . A A . 9 MET CG 1 1 6 730 1 1 9 MET H H 6.828 -2.506 2.780 1.00 . A A . 9 MET H 1 1 6 731 1 1 9 MET HA H 7.339 -5.135 1.695 1.00 . A A . 9 MET HA 1 1 6 732 1 1 9 MET HB2 H 5.603 -6.323 3.050 1.00 . A A . 9 MET HB2 1 1 6 733 1 1 9 MET HB3 H 6.963 -5.775 4.028 1.00 . A A . 9 MET HB3 1 1 6 734 1 1 9 MET HE1 H 5.491 -5.739 7.836 1.00 . A A . 9 MET HE1 1 1 6 735 1 1 9 MET HE2 H 5.470 -6.664 6.336 1.00 . A A . 9 MET HE2 1 1 6 736 1 1 9 MET HE3 H 4.090 -5.656 6.760 1.00 . A A . 9 MET HE3 1 1 6 737 1 1 9 MET HG2 H 4.940 -3.704 3.842 1.00 . A A . 9 MET HG2 1 1 6 738 1 1 9 MET HG3 H 4.240 -5.201 4.451 1.00 . A A . 9 MET HG3 1 1 6 739 1 1 9 MET N N 7.234 -3.389 2.901 1.00 . A A . 9 MET N 1 1 6 740 1 1 9 MET O O 4.711 -3.249 1.696 1.00 . A A . 9 MET O 1 1 6 741 1 1 9 MET SD S 5.917 -4.344 5.935 1.00 . A A . 9 MET SD 1 1 6 742 1 1 10 NH2 HN1 H 5.795 -5.567 0.015 1.00 . A A . 10 NH2 HN1 1 1 6 743 1 1 10 NH2 HN2 H 4.465 -4.563 -0.307 1.00 . A A . 10 NH2 HN2 1 1 6 744 1 1 10 NH2 N N 5.212 -4.822 0.271 1.00 . A A . 10 NH2 N 1 1 7 745 1 1 1 SER C C 6.024 2.445 -3.958 1.00 . A A . 1 SER C 1 1 7 746 1 1 1 SER CA C 5.501 1.827 -5.257 1.00 . A A . 1 SER CA 1 1 7 747 1 1 1 SER CB C 3.973 1.855 -5.287 1.00 . A A . 1 SER CB 1 1 7 748 1 1 1 SER H1 H 5.335 -0.142 -4.596 1.00 . A A . 1 SER H1 1 1 7 749 1 1 1 SER H2 H 6.884 0.271 -5.158 1.00 . A A . 1 SER H2 1 1 7 750 1 1 1 SER H3 H 5.621 0.005 -6.261 1.00 . A A . 1 SER H3 1 1 7 751 1 1 1 SER HA H 5.896 2.353 -6.111 1.00 . A A . 1 SER HA 1 1 7 752 1 1 1 SER HB2 H 3.608 1.027 -5.871 1.00 . A A . 1 SER HB2 1 1 7 753 1 1 1 SER HB3 H 3.593 1.775 -4.276 1.00 . A A . 1 SER HB3 1 1 7 754 1 1 1 SER HG H 2.940 3.503 -5.261 1.00 . A A . 1 SER HG 1 1 7 755 1 1 1 SER N N 5.862 0.381 -5.323 1.00 . A A . 1 SER N 1 1 7 756 1 1 1 SER O O 6.666 1.789 -3.162 1.00 . A A . 1 SER O 1 1 7 757 1 1 1 SER OG O 3.538 3.072 -5.877 1.00 . A A . 1 SER OG 1 1 7 758 1 1 2 VAL C C 5.503 3.802 -1.278 1.00 . A A . 2 VAL C 1 1 7 759 1 1 2 VAL CA C 6.234 4.372 -2.494 1.00 . A A . 2 VAL CA 1 1 7 760 1 1 2 VAL CB C 5.896 5.849 -2.679 1.00 . A A . 2 VAL CB 1 1 7 761 1 1 2 VAL CG1 C 6.346 6.636 -1.447 1.00 . A A . 2 VAL CG1 1 1 7 762 1 1 2 VAL CG2 C 6.619 6.383 -3.918 1.00 . A A . 2 VAL CG2 1 1 7 763 1 1 2 VAL H H 5.234 4.213 -4.399 1.00 . A A . 2 VAL H 1 1 7 764 1 1 2 VAL HA H 7.301 4.248 -2.386 1.00 . A A . 2 VAL HA 1 1 7 765 1 1 2 VAL HB H 4.829 5.961 -2.808 1.00 . A A . 2 VAL HB 1 1 7 766 1 1 2 VAL HG11 H 6.612 7.641 -1.738 1.00 . A A . 2 VAL HG11 1 1 7 767 1 1 2 VAL HG12 H 7.202 6.151 -1.004 1.00 . A A . 2 VAL HG12 1 1 7 768 1 1 2 VAL HG13 H 5.540 6.671 -0.729 1.00 . A A . 2 VAL HG13 1 1 7 769 1 1 2 VAL HG21 H 7.536 5.831 -4.062 1.00 . A A . 2 VAL HG21 1 1 7 770 1 1 2 VAL HG22 H 6.845 7.429 -3.780 1.00 . A A . 2 VAL HG22 1 1 7 771 1 1 2 VAL HG23 H 5.986 6.260 -4.784 1.00 . A A . 2 VAL HG23 1 1 7 772 1 1 2 VAL N N 5.754 3.704 -3.741 1.00 . A A . 2 VAL N 1 1 7 773 1 1 2 VAL O O 6.114 3.352 -0.328 1.00 . A A . 2 VAL O 1 1 7 774 1 1 3 ALA C C 3.813 1.812 0.110 1.00 . A A . 3 ALA C 1 1 7 775 1 1 3 ALA CA C 3.419 3.269 -0.151 1.00 . A A . 3 ALA CA 1 1 7 776 1 1 3 ALA CB C 1.956 3.358 -0.582 1.00 . A A . 3 ALA CB 1 1 7 777 1 1 3 ALA H H 3.726 4.180 -2.081 1.00 . A A . 3 ALA H 1 1 7 778 1 1 3 ALA HA H 3.581 3.868 0.732 1.00 . A A . 3 ALA HA 1 1 7 779 1 1 3 ALA HB1 H 1.896 3.328 -1.660 1.00 . A A . 3 ALA HB1 1 1 7 780 1 1 3 ALA HB2 H 1.530 4.284 -0.224 1.00 . A A . 3 ALA HB2 1 1 7 781 1 1 3 ALA HB3 H 1.407 2.525 -0.168 1.00 . A A . 3 ALA HB3 1 1 7 782 1 1 3 ALA N N 4.196 3.815 -1.302 1.00 . A A . 3 ALA N 1 1 7 783 1 1 3 ALA O O 3.583 1.280 1.179 1.00 . A A . 3 ALA O 1 1 7 784 1 1 4 GLY C C 6.008 -0.314 0.287 1.00 . A A . 4 GLY C 1 1 7 785 1 1 4 GLY CA C 4.815 -0.256 -0.665 1.00 . A A . 4 GLY CA 1 1 7 786 1 1 4 GLY H H 4.583 1.612 -1.712 1.00 . A A . 4 GLY H 1 1 7 787 1 1 4 GLY HA2 H 3.990 -0.814 -0.246 1.00 . A A . 4 GLY HA2 1 1 7 788 1 1 4 GLY HA3 H 5.096 -0.683 -1.615 1.00 . A A . 4 GLY HA3 1 1 7 789 1 1 4 GLY N N 4.405 1.164 -0.859 1.00 . A A . 4 GLY N 1 1 7 790 1 1 4 GLY O O 6.143 -1.233 1.071 1.00 . A A . 4 GLY O 1 1 7 791 1 1 5 ARG C C 7.785 1.530 2.373 1.00 . A A . 5 ARG C 1 1 7 792 1 1 5 ARG CA C 8.058 0.665 1.137 1.00 . A A . 5 ARG CA 1 1 7 793 1 1 5 ARG CB C 9.198 1.259 0.312 1.00 . A A . 5 ARG CB 1 1 7 794 1 1 5 ARG CD C 10.960 0.762 -1.392 1.00 . A A . 5 ARG CD 1 1 7 795 1 1 5 ARG CG C 9.760 0.192 -0.628 1.00 . A A . 5 ARG CG 1 1 7 796 1 1 5 ARG CZ C 11.643 0.602 -3.725 1.00 . A A . 5 ARG CZ 1 1 7 797 1 1 5 ARG H H 6.742 1.396 -0.408 1.00 . A A . 5 ARG H 1 1 7 798 1 1 5 ARG HA H 8.305 -0.342 1.432 1.00 . A A . 5 ARG HA 1 1 7 799 1 1 5 ARG HB2 H 8.829 2.092 -0.266 1.00 . A A . 5 ARG HB2 1 1 7 800 1 1 5 ARG HB3 H 9.981 1.598 0.975 1.00 . A A . 5 ARG HB3 1 1 7 801 1 1 5 ARG HD2 H 11.011 1.835 -1.261 1.00 . A A . 5 ARG HD2 1 1 7 802 1 1 5 ARG HD3 H 11.874 0.297 -1.057 1.00 . A A . 5 ARG HD3 1 1 7 803 1 1 5 ARG HE H 9.840 0.058 -3.092 1.00 . A A . 5 ARG HE 1 1 7 804 1 1 5 ARG HG2 H 10.074 -0.666 -0.051 1.00 . A A . 5 ARG HG2 1 1 7 805 1 1 5 ARG HG3 H 8.997 -0.107 -1.330 1.00 . A A . 5 ARG HG3 1 1 7 806 1 1 5 ARG HH11 H 13.000 1.337 -2.440 1.00 . A A . 5 ARG HH11 1 1 7 807 1 1 5 ARG HH12 H 13.514 1.224 -4.089 1.00 . A A . 5 ARG HH12 1 1 7 808 1 1 5 ARG HH21 H 10.517 -0.082 -5.232 1.00 . A A . 5 ARG HH21 1 1 7 809 1 1 5 ARG HH22 H 12.116 0.427 -5.663 1.00 . A A . 5 ARG HH22 1 1 7 810 1 1 5 ARG N N 6.873 0.663 0.229 1.00 . A A . 5 ARG N 1 1 7 811 1 1 5 ARG NE N 10.709 0.421 -2.823 1.00 . A A . 5 ARG NE 1 1 7 812 1 1 5 ARG NH1 N 12.810 1.093 -3.391 1.00 . A A . 5 ARG NH1 1 1 7 813 1 1 5 ARG NH2 N 11.407 0.292 -4.970 1.00 . A A . 5 ARG NH2 1 1 7 814 1 1 5 ARG O O 8.626 1.657 3.242 1.00 . A A . 5 ARG O 1 1 7 815 1 1 6 ALA C C 6.581 2.181 4.936 1.00 . A A . 6 ALA C 1 1 7 816 1 1 6 ALA CA C 6.301 2.969 3.654 1.00 . A A . 6 ALA CA 1 1 7 817 1 1 6 ALA CB C 4.810 3.286 3.531 1.00 . A A . 6 ALA CB 1 1 7 818 1 1 6 ALA H H 5.952 2.003 1.757 1.00 . A A . 6 ALA H 1 1 7 819 1 1 6 ALA HA H 6.878 3.879 3.636 1.00 . A A . 6 ALA HA 1 1 7 820 1 1 6 ALA HB1 H 4.301 2.452 3.071 1.00 . A A . 6 ALA HB1 1 1 7 821 1 1 6 ALA HB2 H 4.679 4.169 2.922 1.00 . A A . 6 ALA HB2 1 1 7 822 1 1 6 ALA HB3 H 4.397 3.462 4.514 1.00 . A A . 6 ALA HB3 1 1 7 823 1 1 6 ALA N N 6.619 2.121 2.465 1.00 . A A . 6 ALA N 1 1 7 824 1 1 6 ALA O O 7.079 2.709 5.910 1.00 . A A . 6 ALA O 1 1 7 825 1 1 7 GLN C C 7.629 -0.961 5.804 1.00 . A A . 7 GLN C 1 1 7 826 1 1 7 GLN CA C 6.535 0.066 6.125 1.00 . A A . 7 GLN CA 1 1 7 827 1 1 7 GLN CB C 5.204 -0.630 6.424 1.00 . A A . 7 GLN CB 1 1 7 828 1 1 7 GLN CD C 3.688 -2.451 5.630 1.00 . A A . 7 GLN CD 1 1 7 829 1 1 7 GLN CG C 4.755 -1.441 5.205 1.00 . A A . 7 GLN CG 1 1 7 830 1 1 7 GLN H H 5.887 0.511 4.121 1.00 . A A . 7 GLN H 1 1 7 831 1 1 7 GLN HA H 6.828 0.679 6.963 1.00 . A A . 7 GLN HA 1 1 7 832 1 1 7 GLN HB2 H 5.327 -1.291 7.269 1.00 . A A . 7 GLN HB2 1 1 7 833 1 1 7 GLN HB3 H 4.455 0.112 6.655 1.00 . A A . 7 GLN HB3 1 1 7 834 1 1 7 GLN HE21 H 4.943 -3.528 6.729 1.00 . A A . 7 GLN HE21 1 1 7 835 1 1 7 GLN HE22 H 3.343 -4.092 6.695 1.00 . A A . 7 GLN HE22 1 1 7 836 1 1 7 GLN HG2 H 4.345 -0.774 4.460 1.00 . A A . 7 GLN HG2 1 1 7 837 1 1 7 GLN HG3 H 5.601 -1.967 4.790 1.00 . A A . 7 GLN HG3 1 1 7 838 1 1 7 GLN N N 6.277 0.912 4.926 1.00 . A A . 7 GLN N 1 1 7 839 1 1 7 GLN NE2 N 4.019 -3.439 6.416 1.00 . A A . 7 GLN NE2 1 1 7 840 1 1 7 GLN O O 8.274 -1.492 6.688 1.00 . A A . 7 GLN O 1 1 7 841 1 1 7 GLN OE1 O 2.542 -2.343 5.241 1.00 . A A . 7 GLN OE1 1 1 7 842 1 1 8 GLY C C 8.231 -3.494 3.624 1.00 . A A . 8 GLY C 1 1 7 843 1 1 8 GLY CA C 8.893 -2.223 4.158 1.00 . A A . 8 GLY CA 1 1 7 844 1 1 8 GLY H H 7.312 -0.797 3.848 1.00 . A A . 8 GLY H 1 1 7 845 1 1 8 GLY HA2 H 9.522 -1.794 3.390 1.00 . A A . 8 GLY HA2 1 1 7 846 1 1 8 GLY HA3 H 9.493 -2.467 5.021 1.00 . A A . 8 GLY HA3 1 1 7 847 1 1 8 GLY N N 7.843 -1.239 4.543 1.00 . A A . 8 GLY N 1 1 7 848 1 1 8 GLY O O 8.668 -4.595 3.901 1.00 . A A . 8 GLY O 1 1 7 849 1 1 9 MET C C 7.168 -5.004 1.013 1.00 . A A . 9 MET C 1 1 7 850 1 1 9 MET CA C 6.489 -4.552 2.308 1.00 . A A . 9 MET CA 1 1 7 851 1 1 9 MET CB C 5.057 -4.091 2.029 1.00 . A A . 9 MET CB 1 1 7 852 1 1 9 MET CE C 1.765 -5.704 3.583 1.00 . A A . 9 MET CE 1 1 7 853 1 1 9 MET CG C 4.157 -4.474 3.206 1.00 . A A . 9 MET CG 1 1 7 854 1 1 9 MET H H 6.846 -2.455 2.652 1.00 . A A . 9 MET H 1 1 7 855 1 1 9 MET HA H 6.484 -5.352 3.031 1.00 . A A . 9 MET HA 1 1 7 856 1 1 9 MET HB2 H 5.043 -3.019 1.899 1.00 . A A . 9 MET HB2 1 1 7 857 1 1 9 MET HB3 H 4.693 -4.567 1.131 1.00 . A A . 9 MET HB3 1 1 7 858 1 1 9 MET HE1 H 1.767 -4.694 3.970 1.00 . A A . 9 MET HE1 1 1 7 859 1 1 9 MET HE2 H 1.547 -6.393 4.383 1.00 . A A . 9 MET HE2 1 1 7 860 1 1 9 MET HE3 H 1.012 -5.800 2.813 1.00 . A A . 9 MET HE3 1 1 7 861 1 1 9 MET HG2 H 4.749 -4.533 4.108 1.00 . A A . 9 MET HG2 1 1 7 862 1 1 9 MET HG3 H 3.387 -3.727 3.329 1.00 . A A . 9 MET HG3 1 1 7 863 1 1 9 MET N N 7.181 -3.351 2.862 1.00 . A A . 9 MET N 1 1 7 864 1 1 9 MET O O 7.135 -6.168 0.664 1.00 . A A . 9 MET O 1 1 7 865 1 1 9 MET SD S 3.391 -6.082 2.884 1.00 . A A . 9 MET SD 1 1 7 866 1 1 10 NH2 HN1 H 7.817 -3.184 0.556 1.00 . A A . 10 NH2 HN1 1 1 7 867 1 1 10 NH2 HN2 H 8.227 -4.400 -0.554 1.00 . A A . 10 NH2 HN2 1 1 7 868 1 1 10 NH2 N N 7.789 -4.123 0.278 1.00 . A A . 10 NH2 N 1 1 8 869 1 1 1 SER C C 5.171 2.530 -4.259 1.00 . A A . 1 SER C 1 1 8 870 1 1 1 SER CA C 4.255 2.033 -5.382 1.00 . A A . 1 SER CA 1 1 8 871 1 1 1 SER CB C 2.808 2.451 -5.123 1.00 . A A . 1 SER CB 1 1 8 872 1 1 1 SER H1 H 3.902 0.188 -4.479 1.00 . A A . 1 SER H1 1 1 8 873 1 1 1 SER H2 H 5.184 0.180 -5.594 1.00 . A A . 1 SER H2 1 1 8 874 1 1 1 SER H3 H 3.576 0.216 -6.143 1.00 . A A . 1 SER H3 1 1 8 875 1 1 1 SER HA H 4.584 2.415 -6.334 1.00 . A A . 1 SER HA 1 1 8 876 1 1 1 SER HB2 H 2.215 2.269 -6.004 1.00 . A A . 1 SER HB2 1 1 8 877 1 1 1 SER HB3 H 2.411 1.874 -4.298 1.00 . A A . 1 SER HB3 1 1 8 878 1 1 1 SER HG H 2.001 3.995 -4.257 1.00 . A A . 1 SER HG 1 1 8 879 1 1 1 SER N N 4.228 0.542 -5.401 1.00 . A A . 1 SER N 1 1 8 880 1 1 1 SER O O 5.809 1.752 -3.578 1.00 . A A . 1 SER O 1 1 8 881 1 1 1 SER OG O 2.768 3.838 -4.811 1.00 . A A . 1 SER OG 1 1 8 882 1 1 2 VAL C C 5.577 3.969 -1.610 1.00 . A A . 2 VAL C 1 1 8 883 1 1 2 VAL CA C 6.115 4.369 -2.986 1.00 . A A . 2 VAL CA 1 1 8 884 1 1 2 VAL CB C 6.060 5.887 -3.163 1.00 . A A . 2 VAL CB 1 1 8 885 1 1 2 VAL CG1 C 6.895 6.558 -2.072 1.00 . A A . 2 VAL CG1 1 1 8 886 1 1 2 VAL CG2 C 6.624 6.256 -4.537 1.00 . A A . 2 VAL CG2 1 1 8 887 1 1 2 VAL H H 4.715 4.428 -4.626 1.00 . A A . 2 VAL H 1 1 8 888 1 1 2 VAL HA H 7.127 4.021 -3.110 1.00 . A A . 2 VAL HA 1 1 8 889 1 1 2 VAL HB H 5.035 6.221 -3.090 1.00 . A A . 2 VAL HB 1 1 8 890 1 1 2 VAL HG11 H 7.742 5.933 -1.831 1.00 . A A . 2 VAL HG11 1 1 8 891 1 1 2 VAL HG12 H 6.287 6.697 -1.190 1.00 . A A . 2 VAL HG12 1 1 8 892 1 1 2 VAL HG13 H 7.244 7.517 -2.423 1.00 . A A . 2 VAL HG13 1 1 8 893 1 1 2 VAL HG21 H 6.480 5.430 -5.218 1.00 . A A . 2 VAL HG21 1 1 8 894 1 1 2 VAL HG22 H 7.679 6.469 -4.447 1.00 . A A . 2 VAL HG22 1 1 8 895 1 1 2 VAL HG23 H 6.110 7.127 -4.913 1.00 . A A . 2 VAL HG23 1 1 8 896 1 1 2 VAL N N 5.239 3.819 -4.063 1.00 . A A . 2 VAL N 1 1 8 897 1 1 2 VAL O O 6.316 3.540 -0.746 1.00 . A A . 2 VAL O 1 1 8 898 1 1 3 ALA C C 3.966 2.244 0.211 1.00 . A A . 3 ALA C 1 1 8 899 1 1 3 ALA CA C 3.707 3.726 -0.081 1.00 . A A . 3 ALA CA 1 1 8 900 1 1 3 ALA CB C 2.208 3.989 -0.221 1.00 . A A . 3 ALA CB 1 1 8 901 1 1 3 ALA H H 3.716 4.447 -2.115 1.00 . A A . 3 ALA H 1 1 8 902 1 1 3 ALA HA H 4.117 4.342 0.702 1.00 . A A . 3 ALA HA 1 1 8 903 1 1 3 ALA HB1 H 1.977 4.969 0.171 1.00 . A A . 3 ALA HB1 1 1 8 904 1 1 3 ALA HB2 H 1.658 3.241 0.332 1.00 . A A . 3 ALA HB2 1 1 8 905 1 1 3 ALA HB3 H 1.929 3.943 -1.264 1.00 . A A . 3 ALA HB3 1 1 8 906 1 1 3 ALA N N 4.294 4.102 -1.402 1.00 . A A . 3 ALA N 1 1 8 907 1 1 3 ALA O O 3.836 1.795 1.333 1.00 . A A . 3 ALA O 1 1 8 908 1 1 4 GLY C C 5.781 -0.115 0.398 1.00 . A A . 4 GLY C 1 1 8 909 1 1 4 GLY CA C 4.602 0.034 -0.561 1.00 . A A . 4 GLY CA 1 1 8 910 1 1 4 GLY H H 4.434 1.867 -1.685 1.00 . A A . 4 GLY H 1 1 8 911 1 1 4 GLY HA2 H 3.725 -0.432 -0.134 1.00 . A A . 4 GLY HA2 1 1 8 912 1 1 4 GLY HA3 H 4.842 -0.439 -1.499 1.00 . A A . 4 GLY HA3 1 1 8 913 1 1 4 GLY N N 4.333 1.484 -0.787 1.00 . A A . 4 GLY N 1 1 8 914 1 1 4 GLY O O 5.806 -0.999 1.232 1.00 . A A . 4 GLY O 1 1 8 915 1 1 5 ARG C C 7.665 1.446 2.487 1.00 . A A . 5 ARG C 1 1 8 916 1 1 5 ARG CA C 7.933 0.663 1.197 1.00 . A A . 5 ARG CA 1 1 8 917 1 1 5 ARG CB C 9.085 1.290 0.413 1.00 . A A . 5 ARG CB 1 1 8 918 1 1 5 ARG CD C 11.511 1.887 0.480 1.00 . A A . 5 ARG CD 1 1 8 919 1 1 5 ARG CG C 10.392 1.116 1.188 1.00 . A A . 5 ARG CG 1 1 8 920 1 1 5 ARG CZ C 13.181 1.218 -1.165 1.00 . A A . 5 ARG CZ 1 1 8 921 1 1 5 ARG H H 6.708 1.454 -0.389 1.00 . A A . 5 ARG H 1 1 8 922 1 1 5 ARG HA H 8.160 -0.367 1.423 1.00 . A A . 5 ARG HA 1 1 8 923 1 1 5 ARG HB2 H 9.168 0.805 -0.548 1.00 . A A . 5 ARG HB2 1 1 8 924 1 1 5 ARG HB3 H 8.890 2.342 0.271 1.00 . A A . 5 ARG HB3 1 1 8 925 1 1 5 ARG HD2 H 11.091 2.641 -0.174 1.00 . A A . 5 ARG HD2 1 1 8 926 1 1 5 ARG HD3 H 12.171 2.341 1.202 1.00 . A A . 5 ARG HD3 1 1 8 927 1 1 5 ARG HE H 12.036 -0.089 -0.199 1.00 . A A . 5 ARG HE 1 1 8 928 1 1 5 ARG HG2 H 10.271 1.497 2.191 1.00 . A A . 5 ARG HG2 1 1 8 929 1 1 5 ARG HG3 H 10.651 0.069 1.229 1.00 . A A . 5 ARG HG3 1 1 8 930 1 1 5 ARG HH11 H 13.009 3.186 -0.811 1.00 . A A . 5 ARG HH11 1 1 8 931 1 1 5 ARG HH12 H 14.198 2.738 -1.985 1.00 . A A . 5 ARG HH12 1 1 8 932 1 1 5 ARG HH21 H 13.586 -0.661 -1.727 1.00 . A A . 5 ARG HH21 1 1 8 933 1 1 5 ARG HH22 H 14.524 0.573 -2.502 1.00 . A A . 5 ARG HH22 1 1 8 934 1 1 5 ARG N N 6.755 0.747 0.289 1.00 . A A . 5 ARG N 1 1 8 935 1 1 5 ARG NE N 12.250 0.860 -0.314 1.00 . A A . 5 ARG NE 1 1 8 936 1 1 5 ARG NH1 N 13.485 2.480 -1.332 1.00 . A A . 5 ARG NH1 1 1 8 937 1 1 5 ARG NH2 N 13.813 0.305 -1.852 1.00 . A A . 5 ARG NH2 1 1 8 938 1 1 5 ARG O O 8.443 1.398 3.420 1.00 . A A . 5 ARG O 1 1 8 939 1 1 6 ALA C C 6.391 2.025 5.016 1.00 . A A . 6 ALA C 1 1 8 940 1 1 6 ALA CA C 6.245 2.934 3.793 1.00 . A A . 6 ALA CA 1 1 8 941 1 1 6 ALA CB C 4.791 3.376 3.620 1.00 . A A . 6 ALA CB 1 1 8 942 1 1 6 ALA H H 5.947 2.179 1.794 1.00 . A A . 6 ALA H 1 1 8 943 1 1 6 ALA HA H 6.889 3.794 3.880 1.00 . A A . 6 ALA HA 1 1 8 944 1 1 6 ALA HB1 H 4.644 3.744 2.616 1.00 . A A . 6 ALA HB1 1 1 8 945 1 1 6 ALA HB2 H 4.567 4.162 4.327 1.00 . A A . 6 ALA HB2 1 1 8 946 1 1 6 ALA HB3 H 4.136 2.537 3.796 1.00 . A A . 6 ALA HB3 1 1 8 947 1 1 6 ALA N N 6.564 2.159 2.554 1.00 . A A . 6 ALA N 1 1 8 948 1 1 6 ALA O O 6.750 2.460 6.093 1.00 . A A . 6 ALA O 1 1 8 949 1 1 7 GLN C C 7.435 -1.155 5.687 1.00 . A A . 7 GLN C 1 1 8 950 1 1 7 GLN CA C 6.266 -0.205 5.966 1.00 . A A . 7 GLN CA 1 1 8 951 1 1 7 GLN CB C 4.943 -0.972 5.996 1.00 . A A . 7 GLN CB 1 1 8 952 1 1 7 GLN CD C 4.410 -0.783 8.430 1.00 . A A . 7 GLN CD 1 1 8 953 1 1 7 GLN CG C 4.827 -1.742 7.313 1.00 . A A . 7 GLN CG 1 1 8 954 1 1 7 GLN H H 5.856 0.438 3.955 1.00 . A A . 7 GLN H 1 1 8 955 1 1 7 GLN HA H 6.415 0.317 6.897 1.00 . A A . 7 GLN HA 1 1 8 956 1 1 7 GLN HB2 H 4.121 -0.274 5.912 1.00 . A A . 7 GLN HB2 1 1 8 957 1 1 7 GLN HB3 H 4.911 -1.667 5.171 1.00 . A A . 7 GLN HB3 1 1 8 958 1 1 7 GLN HE21 H 5.586 -1.629 9.788 1.00 . A A . 7 GLN HE21 1 1 8 959 1 1 7 GLN HE22 H 4.673 -0.310 10.340 1.00 . A A . 7 GLN HE22 1 1 8 960 1 1 7 GLN HG2 H 4.086 -2.521 7.211 1.00 . A A . 7 GLN HG2 1 1 8 961 1 1 7 GLN HG3 H 5.783 -2.182 7.557 1.00 . A A . 7 GLN HG3 1 1 8 962 1 1 7 GLN N N 6.130 0.759 4.840 1.00 . A A . 7 GLN N 1 1 8 963 1 1 7 GLN NE2 N 4.933 -0.919 9.617 1.00 . A A . 7 GLN NE2 1 1 8 964 1 1 7 GLN O O 7.968 -1.780 6.583 1.00 . A A . 7 GLN O 1 1 8 965 1 1 7 GLN OE1 O 3.601 0.098 8.219 1.00 . A A . 7 GLN OE1 1 1 8 966 1 1 8 GLY C C 8.431 -3.577 3.835 1.00 . A A . 8 GLY C 1 1 8 967 1 1 8 GLY CA C 8.969 -2.171 4.099 1.00 . A A . 8 GLY CA 1 1 8 968 1 1 8 GLY H H 7.391 -0.753 3.738 1.00 . A A . 8 GLY H 1 1 8 969 1 1 8 GLY HA2 H 9.465 -1.800 3.212 1.00 . A A . 8 GLY HA2 1 1 8 970 1 1 8 GLY HA3 H 9.669 -2.203 4.918 1.00 . A A . 8 GLY HA3 1 1 8 971 1 1 8 GLY N N 7.836 -1.266 4.445 1.00 . A A . 8 GLY N 1 1 8 972 1 1 8 GLY O O 8.873 -4.542 4.427 1.00 . A A . 8 GLY O 1 1 8 973 1 1 9 MET C C 6.577 -5.152 1.153 1.00 . A A . 9 MET C 1 1 8 974 1 1 9 MET CA C 6.907 -5.042 2.644 1.00 . A A . 9 MET CA 1 1 8 975 1 1 9 MET CB C 5.632 -5.131 3.484 1.00 . A A . 9 MET CB 1 1 8 976 1 1 9 MET CE C 5.112 -7.742 6.559 1.00 . A A . 9 MET CE 1 1 8 977 1 1 9 MET CG C 5.938 -5.844 4.802 1.00 . A A . 9 MET CG 1 1 8 978 1 1 9 MET H H 7.139 -2.903 2.486 1.00 . A A . 9 MET H 1 1 8 979 1 1 9 MET HA H 7.596 -5.819 2.936 1.00 . A A . 9 MET HA 1 1 8 980 1 1 9 MET HB2 H 5.266 -4.136 3.688 1.00 . A A . 9 MET HB2 1 1 8 981 1 1 9 MET HB3 H 4.883 -5.687 2.942 1.00 . A A . 9 MET HB3 1 1 8 982 1 1 9 MET HE1 H 6.100 -7.446 6.884 1.00 . A A . 9 MET HE1 1 1 8 983 1 1 9 MET HE2 H 5.185 -8.647 5.976 1.00 . A A . 9 MET HE2 1 1 8 984 1 1 9 MET HE3 H 4.481 -7.919 7.419 1.00 . A A . 9 MET HE3 1 1 8 985 1 1 9 MET HG2 H 6.586 -6.687 4.613 1.00 . A A . 9 MET HG2 1 1 8 986 1 1 9 MET HG3 H 6.428 -5.158 5.477 1.00 . A A . 9 MET HG3 1 1 8 987 1 1 9 MET N N 7.479 -3.698 2.950 1.00 . A A . 9 MET N 1 1 8 988 1 1 9 MET O O 5.544 -5.670 0.780 1.00 . A A . 9 MET O 1 1 8 989 1 1 9 MET SD S 4.394 -6.425 5.546 1.00 . A A . 9 MET SD 1 1 8 990 1 1 10 NH2 HN1 H 8.255 -4.262 0.575 1.00 . A A . 10 NH2 HN1 1 1 8 991 1 1 10 NH2 HN2 H 7.221 -4.746 -0.681 1.00 . A A . 10 NH2 HN2 1 1 8 992 1 1 10 NH2 N N 7.421 -4.680 0.277 1.00 . A A . 10 NH2 N 1 1 9 993 1 1 1 SER C C 5.102 3.417 -4.661 1.00 . A A . 1 SER C 1 1 9 994 1 1 1 SER CA C 4.030 3.193 -5.731 1.00 . A A . 1 SER CA 1 1 9 995 1 1 1 SER CB C 2.666 2.957 -5.081 1.00 . A A . 1 SER CB 1 1 9 996 1 1 1 SER H1 H 5.283 1.982 -6.872 1.00 . A A . 1 SER H1 1 1 9 997 1 1 1 SER H2 H 3.639 1.858 -7.281 1.00 . A A . 1 SER H2 1 1 9 998 1 1 1 SER H3 H 4.224 1.123 -5.865 1.00 . A A . 1 SER H3 1 1 9 999 1 1 1 SER HA H 3.978 4.039 -6.397 1.00 . A A . 1 SER HA 1 1 9 1000 1 1 1 SER HB2 H 2.296 3.880 -4.669 1.00 . A A . 1 SER HB2 1 1 9 1001 1 1 1 SER HB3 H 1.971 2.594 -5.829 1.00 . A A . 1 SER HB3 1 1 9 1002 1 1 1 SER HG H 2.765 2.467 -3.202 1.00 . A A . 1 SER HG 1 1 9 1003 1 1 1 SER N N 4.316 1.945 -6.495 1.00 . A A . 1 SER N 1 1 9 1004 1 1 1 SER O O 6.131 2.769 -4.656 1.00 . A A . 1 SER O 1 1 9 1005 1 1 1 SER OG O 2.803 2.000 -4.040 1.00 . A A . 1 SER OG 1 1 9 1006 1 1 2 VAL C C 5.366 4.055 -1.345 1.00 . A A . 2 VAL C 1 1 9 1007 1 1 2 VAL CA C 5.872 4.595 -2.683 1.00 . A A . 2 VAL CA 1 1 9 1008 1 1 2 VAL CB C 6.005 6.117 -2.632 1.00 . A A . 2 VAL CB 1 1 9 1009 1 1 2 VAL CG1 C 7.017 6.507 -1.551 1.00 . A A . 2 VAL CG1 1 1 9 1010 1 1 2 VAL CG2 C 6.488 6.630 -3.991 1.00 . A A . 2 VAL CG2 1 1 9 1011 1 1 2 VAL H H 4.030 4.837 -3.778 1.00 . A A . 2 VAL H 1 1 9 1012 1 1 2 VAL HA H 6.821 4.150 -2.936 1.00 . A A . 2 VAL HA 1 1 9 1013 1 1 2 VAL HB H 5.045 6.554 -2.400 1.00 . A A . 2 VAL HB 1 1 9 1014 1 1 2 VAL HG11 H 6.682 7.403 -1.050 1.00 . A A . 2 VAL HG11 1 1 9 1015 1 1 2 VAL HG12 H 7.980 6.688 -2.007 1.00 . A A . 2 VAL HG12 1 1 9 1016 1 1 2 VAL HG13 H 7.105 5.705 -0.833 1.00 . A A . 2 VAL HG13 1 1 9 1017 1 1 2 VAL HG21 H 6.083 7.615 -4.168 1.00 . A A . 2 VAL HG21 1 1 9 1018 1 1 2 VAL HG22 H 6.153 5.959 -4.768 1.00 . A A . 2 VAL HG22 1 1 9 1019 1 1 2 VAL HG23 H 7.566 6.677 -3.995 1.00 . A A . 2 VAL HG23 1 1 9 1020 1 1 2 VAL N N 4.868 4.328 -3.755 1.00 . A A . 2 VAL N 1 1 9 1021 1 1 2 VAL O O 6.136 3.626 -0.508 1.00 . A A . 2 VAL O 1 1 9 1022 1 1 3 ALA C C 3.872 2.067 0.313 1.00 . A A . 3 ALA C 1 1 9 1023 1 1 3 ALA CA C 3.517 3.548 0.141 1.00 . A A . 3 ALA CA 1 1 9 1024 1 1 3 ALA CB C 2.003 3.725 0.016 1.00 . A A . 3 ALA CB 1 1 9 1025 1 1 3 ALA H H 3.475 4.414 -1.834 1.00 . A A . 3 ALA H 1 1 9 1026 1 1 3 ALA HA H 3.888 4.124 0.974 1.00 . A A . 3 ALA HA 1 1 9 1027 1 1 3 ALA HB1 H 1.727 3.722 -1.028 1.00 . A A . 3 ALA HB1 1 1 9 1028 1 1 3 ALA HB2 H 1.713 4.663 0.464 1.00 . A A . 3 ALA HB2 1 1 9 1029 1 1 3 ALA HB3 H 1.504 2.913 0.523 1.00 . A A . 3 ALA HB3 1 1 9 1030 1 1 3 ALA N N 4.076 4.068 -1.142 1.00 . A A . 3 ALA N 1 1 9 1031 1 1 3 ALA O O 3.745 1.512 1.388 1.00 . A A . 3 ALA O 1 1 9 1032 1 1 4 GLY C C 5.882 -0.173 0.302 1.00 . A A . 4 GLY C 1 1 9 1033 1 1 4 GLY CA C 4.680 -0.018 -0.628 1.00 . A A . 4 GLY CA 1 1 9 1034 1 1 4 GLY H H 4.414 1.890 -1.593 1.00 . A A . 4 GLY H 1 1 9 1035 1 1 4 GLY HA2 H 3.841 -0.572 -0.230 1.00 . A A . 4 GLY HA2 1 1 9 1036 1 1 4 GLY HA3 H 4.934 -0.401 -1.604 1.00 . A A . 4 GLY HA3 1 1 9 1037 1 1 4 GLY N N 4.317 1.424 -0.736 1.00 . A A . 4 GLY N 1 1 9 1038 1 1 4 GLY O O 5.991 -1.137 1.034 1.00 . A A . 4 GLY O 1 1 9 1039 1 1 5 ARG C C 7.765 1.501 2.443 1.00 . A A . 5 ARG C 1 1 9 1040 1 1 5 ARG CA C 7.979 0.680 1.168 1.00 . A A . 5 ARG CA 1 1 9 1041 1 1 5 ARG CB C 9.133 1.251 0.346 1.00 . A A . 5 ARG CB 1 1 9 1042 1 1 5 ARG CD C 11.593 0.828 0.203 1.00 . A A . 5 ARG CD 1 1 9 1043 1 1 5 ARG CG C 10.432 1.148 1.149 1.00 . A A . 5 ARG CG 1 1 9 1044 1 1 5 ARG CZ C 12.745 2.186 -1.459 1.00 . A A . 5 ARG CZ 1 1 9 1045 1 1 5 ARG H H 6.674 1.541 -0.316 1.00 . A A . 5 ARG H 1 1 9 1046 1 1 5 ARG HA H 8.182 -0.350 1.417 1.00 . A A . 5 ARG HA 1 1 9 1047 1 1 5 ARG HB2 H 9.231 0.690 -0.572 1.00 . A A . 5 ARG HB2 1 1 9 1048 1 1 5 ARG HB3 H 8.934 2.286 0.119 1.00 . A A . 5 ARG HB3 1 1 9 1049 1 1 5 ARG HD2 H 12.509 0.709 0.765 1.00 . A A . 5 ARG HD2 1 1 9 1050 1 1 5 ARG HD3 H 11.380 -0.064 -0.366 1.00 . A A . 5 ARG HD3 1 1 9 1051 1 1 5 ARG HE H 10.949 2.651 -0.745 1.00 . A A . 5 ARG HE 1 1 9 1052 1 1 5 ARG HG2 H 10.622 2.088 1.648 1.00 . A A . 5 ARG HG2 1 1 9 1053 1 1 5 ARG HG3 H 10.342 0.362 1.883 1.00 . A A . 5 ARG HG3 1 1 9 1054 1 1 5 ARG HH11 H 13.703 0.540 -0.826 1.00 . A A . 5 ARG HH11 1 1 9 1055 1 1 5 ARG HH12 H 14.542 1.487 -2.006 1.00 . A A . 5 ARG HH12 1 1 9 1056 1 1 5 ARG HH21 H 12.048 3.875 -2.278 1.00 . A A . 5 ARG HH21 1 1 9 1057 1 1 5 ARG HH22 H 13.611 3.366 -2.825 1.00 . A A . 5 ARG HH22 1 1 9 1058 1 1 5 ARG N N 6.783 0.772 0.282 1.00 . A A . 5 ARG N 1 1 9 1059 1 1 5 ARG NE N 11.686 2.006 -0.707 1.00 . A A . 5 ARG NE 1 1 9 1060 1 1 5 ARG NH1 N 13.740 1.337 -1.428 1.00 . A A . 5 ARG NH1 1 1 9 1061 1 1 5 ARG NH2 N 12.807 3.223 -2.249 1.00 . A A . 5 ARG NH2 1 1 9 1062 1 1 5 ARG O O 8.603 1.514 3.325 1.00 . A A . 5 ARG O 1 1 9 1063 1 1 6 ALA C C 6.595 2.106 5.025 1.00 . A A . 6 ALA C 1 1 9 1064 1 1 6 ALA CA C 6.390 2.988 3.791 1.00 . A A . 6 ALA CA 1 1 9 1065 1 1 6 ALA CB C 4.929 3.430 3.682 1.00 . A A . 6 ALA CB 1 1 9 1066 1 1 6 ALA H H 5.981 2.155 1.843 1.00 . A A . 6 ALA H 1 1 9 1067 1 1 6 ALA HA H 7.038 3.848 3.826 1.00 . A A . 6 ALA HA 1 1 9 1068 1 1 6 ALA HB1 H 4.343 2.632 3.250 1.00 . A A . 6 ALA HB1 1 1 9 1069 1 1 6 ALA HB2 H 4.864 4.306 3.053 1.00 . A A . 6 ALA HB2 1 1 9 1070 1 1 6 ALA HB3 H 4.549 3.664 4.665 1.00 . A A . 6 ALA HB3 1 1 9 1071 1 1 6 ALA N N 6.648 2.181 2.559 1.00 . A A . 6 ALA N 1 1 9 1072 1 1 6 ALA O O 7.051 2.554 6.059 1.00 . A A . 6 ALA O 1 1 9 1073 1 1 7 GLN C C 7.581 -1.089 5.701 1.00 . A A . 7 GLN C 1 1 9 1074 1 1 7 GLN CA C 6.466 -0.095 6.041 1.00 . A A . 7 GLN CA 1 1 9 1075 1 1 7 GLN CB C 5.125 -0.815 6.188 1.00 . A A . 7 GLN CB 1 1 9 1076 1 1 7 GLN CD C 3.822 -1.792 8.084 1.00 . A A . 7 GLN CD 1 1 9 1077 1 1 7 GLN CG C 5.183 -1.765 7.387 1.00 . A A . 7 GLN CG 1 1 9 1078 1 1 7 GLN H H 5.926 0.515 4.051 1.00 . A A . 7 GLN H 1 1 9 1079 1 1 7 GLN HA H 6.700 0.445 6.945 1.00 . A A . 7 GLN HA 1 1 9 1080 1 1 7 GLN HB2 H 4.341 -0.087 6.341 1.00 . A A . 7 GLN HB2 1 1 9 1081 1 1 7 GLN HB3 H 4.920 -1.382 5.292 1.00 . A A . 7 GLN HB3 1 1 9 1082 1 1 7 GLN HE21 H 2.808 -2.099 6.404 1.00 . A A . 7 GLN HE21 1 1 9 1083 1 1 7 GLN HE22 H 1.865 -1.998 7.812 1.00 . A A . 7 GLN HE22 1 1 9 1084 1 1 7 GLN HG2 H 5.434 -2.759 7.047 1.00 . A A . 7 GLN HG2 1 1 9 1085 1 1 7 GLN HG3 H 5.934 -1.421 8.082 1.00 . A A . 7 GLN HG3 1 1 9 1086 1 1 7 GLN N N 6.277 0.847 4.904 1.00 . A A . 7 GLN N 1 1 9 1087 1 1 7 GLN NE2 N 2.742 -1.978 7.375 1.00 . A A . 7 GLN NE2 1 1 9 1088 1 1 7 GLN O O 8.197 -1.669 6.573 1.00 . A A . 7 GLN O 1 1 9 1089 1 1 7 GLN OE1 O 3.738 -1.642 9.287 1.00 . A A . 7 GLN OE1 1 1 9 1090 1 1 8 GLY C C 8.303 -3.599 3.718 1.00 . A A . 8 GLY C 1 1 9 1091 1 1 8 GLY CA C 8.917 -2.233 4.024 1.00 . A A . 8 GLY CA 1 1 9 1092 1 1 8 GLY H H 7.334 -0.804 3.746 1.00 . A A . 8 GLY H 1 1 9 1093 1 1 8 GLY HA2 H 9.414 -1.854 3.142 1.00 . A A . 8 GLY HA2 1 1 9 1094 1 1 8 GLY HA3 H 9.634 -2.334 4.825 1.00 . A A . 8 GLY HA3 1 1 9 1095 1 1 8 GLY N N 7.843 -1.284 4.433 1.00 . A A . 8 GLY N 1 1 9 1096 1 1 8 GLY O O 8.742 -4.615 4.221 1.00 . A A . 8 GLY O 1 1 9 1097 1 1 9 MET C C 6.263 -4.957 1.069 1.00 . A A . 9 MET C 1 1 9 1098 1 1 9 MET CA C 6.643 -4.930 2.551 1.00 . A A . 9 MET CA 1 1 9 1099 1 1 9 MET CB C 5.390 -4.992 3.427 1.00 . A A . 9 MET CB 1 1 9 1100 1 1 9 MET CE C 3.370 -5.019 5.933 1.00 . A A . 9 MET CE 1 1 9 1101 1 1 9 MET CG C 5.729 -5.670 4.756 1.00 . A A . 9 MET CG 1 1 9 1102 1 1 9 MET H H 6.954 -2.797 2.501 1.00 . A A . 9 MET H 1 1 9 1103 1 1 9 MET HA H 7.299 -5.752 2.788 1.00 . A A . 9 MET HA 1 1 9 1104 1 1 9 MET HB2 H 5.032 -3.989 3.614 1.00 . A A . 9 MET HB2 1 1 9 1105 1 1 9 MET HB3 H 4.625 -5.560 2.920 1.00 . A A . 9 MET HB3 1 1 9 1106 1 1 9 MET HE1 H 2.363 -5.287 6.220 1.00 . A A . 9 MET HE1 1 1 9 1107 1 1 9 MET HE2 H 3.334 -4.310 5.121 1.00 . A A . 9 MET HE2 1 1 9 1108 1 1 9 MET HE3 H 3.884 -4.575 6.773 1.00 . A A . 9 MET HE3 1 1 9 1109 1 1 9 MET HG2 H 6.514 -6.394 4.600 1.00 . A A . 9 MET HG2 1 1 9 1110 1 1 9 MET HG3 H 6.060 -4.926 5.465 1.00 . A A . 9 MET HG3 1 1 9 1111 1 1 9 MET N N 7.289 -3.630 2.895 1.00 . A A . 9 MET N 1 1 9 1112 1 1 9 MET O O 6.708 -5.809 0.326 1.00 . A A . 9 MET O 1 1 9 1113 1 1 9 MET SD S 4.257 -6.504 5.401 1.00 . A A . 9 MET SD 1 1 9 1114 1 1 10 NH2 HN1 H 5.090 -3.360 1.198 1.00 . A A . 10 NH2 HN1 1 1 9 1115 1 1 10 NH2 HN2 H 5.201 -4.054 -0.346 1.00 . A A . 10 NH2 HN2 1 1 9 1116 1 1 10 NH2 N N 5.450 -4.049 0.602 1.00 . A A . 10 NH2 N 1 1 10 1117 1 1 1 SER C C 6.295 2.522 -3.624 1.00 . A A . 1 SER C 1 1 10 1118 1 1 1 SER CA C 5.982 1.849 -4.963 1.00 . A A . 1 SER CA 1 1 10 1119 1 1 1 SER CB C 4.598 2.264 -5.462 1.00 . A A . 1 SER CB 1 1 10 1120 1 1 1 SER H1 H 5.198 0.142 -4.064 1.00 . A A . 1 SER H1 1 1 10 1121 1 1 1 SER H2 H 6.834 0.005 -4.503 1.00 . A A . 1 SER H2 1 1 10 1122 1 1 1 SER H3 H 5.623 -0.069 -5.692 1.00 . A A . 1 SER H3 1 1 10 1123 1 1 1 SER HA H 6.729 2.106 -5.698 1.00 . A A . 1 SER HA 1 1 10 1124 1 1 1 SER HB2 H 3.875 2.128 -4.674 1.00 . A A . 1 SER HB2 1 1 10 1125 1 1 1 SER HB3 H 4.619 3.306 -5.751 1.00 . A A . 1 SER HB3 1 1 10 1126 1 1 1 SER HG H 3.362 1.098 -6.409 1.00 . A A . 1 SER HG 1 1 10 1127 1 1 1 SER N N 5.904 0.370 -4.792 1.00 . A A . 1 SER N 1 1 10 1128 1 1 1 SER O O 6.805 1.900 -2.712 1.00 . A A . 1 SER O 1 1 10 1129 1 1 1 SER OG O 4.237 1.456 -6.573 1.00 . A A . 1 SER OG 1 1 10 1130 1 1 2 VAL C C 5.461 3.876 -1.080 1.00 . A A . 2 VAL C 1 1 10 1131 1 1 2 VAL CA C 6.271 4.501 -2.219 1.00 . A A . 2 VAL CA 1 1 10 1132 1 1 2 VAL CB C 5.828 5.943 -2.461 1.00 . A A . 2 VAL CB 1 1 10 1133 1 1 2 VAL CG1 C 6.077 6.774 -1.201 1.00 . A A . 2 VAL CG1 1 1 10 1134 1 1 2 VAL CG2 C 6.628 6.532 -3.625 1.00 . A A . 2 VAL CG2 1 1 10 1135 1 1 2 VAL H H 5.581 4.266 -4.248 1.00 . A A . 2 VAL H 1 1 10 1136 1 1 2 VAL HA H 7.325 4.471 -1.992 1.00 . A A . 2 VAL HA 1 1 10 1137 1 1 2 VAL HB H 4.774 5.961 -2.701 1.00 . A A . 2 VAL HB 1 1 10 1138 1 1 2 VAL HG11 H 5.931 7.821 -1.424 1.00 . A A . 2 VAL HG11 1 1 10 1139 1 1 2 VAL HG12 H 7.089 6.615 -0.859 1.00 . A A . 2 VAL HG12 1 1 10 1140 1 1 2 VAL HG13 H 5.385 6.472 -0.428 1.00 . A A . 2 VAL HG13 1 1 10 1141 1 1 2 VAL HG21 H 6.586 7.610 -3.581 1.00 . A A . 2 VAL HG21 1 1 10 1142 1 1 2 VAL HG22 H 6.205 6.193 -4.559 1.00 . A A . 2 VAL HG22 1 1 10 1143 1 1 2 VAL HG23 H 7.655 6.208 -3.556 1.00 . A A . 2 VAL HG23 1 1 10 1144 1 1 2 VAL N N 5.992 3.786 -3.499 1.00 . A A . 2 VAL N 1 1 10 1145 1 1 2 VAL O O 6.009 3.416 -0.097 1.00 . A A . 2 VAL O 1 1 10 1146 1 1 3 ALA C C 3.685 1.783 0.076 1.00 . A A . 3 ALA C 1 1 10 1147 1 1 3 ALA CA C 3.314 3.255 -0.135 1.00 . A A . 3 ALA CA 1 1 10 1148 1 1 3 ALA CB C 1.879 3.376 -0.647 1.00 . A A . 3 ALA CB 1 1 10 1149 1 1 3 ALA H H 3.744 4.228 -2.011 1.00 . A A . 3 ALA H 1 1 10 1150 1 1 3 ALA HA H 3.425 3.807 0.784 1.00 . A A . 3 ALA HA 1 1 10 1151 1 1 3 ALA HB1 H 1.835 3.052 -1.677 1.00 . A A . 3 ALA HB1 1 1 10 1152 1 1 3 ALA HB2 H 1.559 4.406 -0.581 1.00 . A A . 3 ALA HB2 1 1 10 1153 1 1 3 ALA HB3 H 1.228 2.759 -0.047 1.00 . A A . 3 ALA HB3 1 1 10 1154 1 1 3 ALA N N 4.162 3.853 -1.208 1.00 . A A . 3 ALA N 1 1 10 1155 1 1 3 ALA O O 3.366 1.195 1.090 1.00 . A A . 3 ALA O 1 1 10 1156 1 1 4 GLY C C 5.968 -0.350 0.184 1.00 . A A . 4 GLY C 1 1 10 1157 1 1 4 GLY CA C 4.744 -0.247 -0.726 1.00 . A A . 4 GLY CA 1 1 10 1158 1 1 4 GLY H H 4.602 1.678 -1.686 1.00 . A A . 4 GLY H 1 1 10 1159 1 1 4 GLY HA2 H 3.922 -0.799 -0.292 1.00 . A A . 4 GLY HA2 1 1 10 1160 1 1 4 GLY HA3 H 4.985 -0.658 -1.695 1.00 . A A . 4 GLY HA3 1 1 10 1161 1 1 4 GLY N N 4.355 1.185 -0.875 1.00 . A A . 4 GLY N 1 1 10 1162 1 1 4 GLY O O 6.139 -1.318 0.900 1.00 . A A . 4 GLY O 1 1 10 1163 1 1 5 ARG C C 7.837 1.481 2.270 1.00 . A A . 5 ARG C 1 1 10 1164 1 1 5 ARG CA C 8.030 0.600 1.031 1.00 . A A . 5 ARG CA 1 1 10 1165 1 1 5 ARG CB C 9.164 1.141 0.160 1.00 . A A . 5 ARG CB 1 1 10 1166 1 1 5 ARG CD C 11.073 0.294 -1.212 1.00 . A A . 5 ARG CD 1 1 10 1167 1 1 5 ARG CG C 9.610 0.059 -0.825 1.00 . A A . 5 ARG CG 1 1 10 1168 1 1 5 ARG CZ C 12.137 1.874 -2.735 1.00 . A A . 5 ARG CZ 1 1 10 1169 1 1 5 ARG H H 6.658 1.410 -0.420 1.00 . A A . 5 ARG H 1 1 10 1170 1 1 5 ARG HA H 8.247 -0.415 1.324 1.00 . A A . 5 ARG HA 1 1 10 1171 1 1 5 ARG HB2 H 8.815 2.005 -0.386 1.00 . A A . 5 ARG HB2 1 1 10 1172 1 1 5 ARG HB3 H 9.996 1.420 0.787 1.00 . A A . 5 ARG HB3 1 1 10 1173 1 1 5 ARG HD2 H 11.636 0.642 -0.357 1.00 . A A . 5 ARG HD2 1 1 10 1174 1 1 5 ARG HD3 H 11.507 -0.611 -1.609 1.00 . A A . 5 ARG HD3 1 1 10 1175 1 1 5 ARG HE H 10.165 1.643 -2.625 1.00 . A A . 5 ARG HE 1 1 10 1176 1 1 5 ARG HG2 H 9.513 -0.912 -0.361 1.00 . A A . 5 ARG HG2 1 1 10 1177 1 1 5 ARG HG3 H 8.995 0.100 -1.710 1.00 . A A . 5 ARG HG3 1 1 10 1178 1 1 5 ARG HH11 H 13.359 0.789 -1.568 1.00 . A A . 5 ARG HH11 1 1 10 1179 1 1 5 ARG HH12 H 14.139 1.902 -2.639 1.00 . A A . 5 ARG HH12 1 1 10 1180 1 1 5 ARG HH21 H 11.188 3.087 -4.013 1.00 . A A . 5 ARG HH21 1 1 10 1181 1 1 5 ARG HH22 H 12.917 3.198 -4.016 1.00 . A A . 5 ARG HH22 1 1 10 1182 1 1 5 ARG N N 6.818 0.640 0.164 1.00 . A A . 5 ARG N 1 1 10 1183 1 1 5 ARG NE N 11.029 1.345 -2.272 1.00 . A A . 5 ARG NE 1 1 10 1184 1 1 5 ARG NH1 N 13.301 1.491 -2.277 1.00 . A A . 5 ARG NH1 1 1 10 1185 1 1 5 ARG NH2 N 12.076 2.791 -3.660 1.00 . A A . 5 ARG NH2 1 1 10 1186 1 1 5 ARG O O 8.656 1.486 3.167 1.00 . A A . 5 ARG O 1 1 10 1187 1 1 6 ALA C C 6.634 2.261 4.803 1.00 . A A . 6 ALA C 1 1 10 1188 1 1 6 ALA CA C 6.514 3.093 3.524 1.00 . A A . 6 ALA CA 1 1 10 1189 1 1 6 ALA CB C 5.087 3.615 3.354 1.00 . A A . 6 ALA CB 1 1 10 1190 1 1 6 ALA H H 6.103 2.201 1.602 1.00 . A A . 6 ALA H 1 1 10 1191 1 1 6 ALA HA H 7.213 3.915 3.539 1.00 . A A . 6 ALA HA 1 1 10 1192 1 1 6 ALA HB1 H 4.530 2.941 2.722 1.00 . A A . 6 ALA HB1 1 1 10 1193 1 1 6 ALA HB2 H 5.115 4.595 2.899 1.00 . A A . 6 ALA HB2 1 1 10 1194 1 1 6 ALA HB3 H 4.610 3.681 4.321 1.00 . A A . 6 ALA HB3 1 1 10 1195 1 1 6 ALA N N 6.756 2.221 2.332 1.00 . A A . 6 ALA N 1 1 10 1196 1 1 6 ALA O O 7.053 2.743 5.836 1.00 . A A . 6 ALA O 1 1 10 1197 1 1 7 GLN C C 7.488 -0.913 5.701 1.00 . A A . 7 GLN C 1 1 10 1198 1 1 7 GLN CA C 6.381 0.122 5.921 1.00 . A A . 7 GLN CA 1 1 10 1199 1 1 7 GLN CB C 5.017 -0.563 6.026 1.00 . A A . 7 GLN CB 1 1 10 1200 1 1 7 GLN CD C 4.230 -0.090 8.350 1.00 . A A . 7 GLN CD 1 1 10 1201 1 1 7 GLN CG C 4.845 -1.146 7.431 1.00 . A A . 7 GLN CG 1 1 10 1202 1 1 7 GLN H H 5.956 0.643 3.877 1.00 . A A . 7 GLN H 1 1 10 1203 1 1 7 GLN HA H 6.574 0.703 6.809 1.00 . A A . 7 GLN HA 1 1 10 1204 1 1 7 GLN HB2 H 4.237 0.161 5.838 1.00 . A A . 7 GLN HB2 1 1 10 1205 1 1 7 GLN HB3 H 4.956 -1.358 5.298 1.00 . A A . 7 GLN HB3 1 1 10 1206 1 1 7 GLN HE21 H 2.530 0.014 7.329 1.00 . A A . 7 GLN HE21 1 1 10 1207 1 1 7 GLN HE22 H 2.625 1.031 8.684 1.00 . A A . 7 GLN HE22 1 1 10 1208 1 1 7 GLN HG2 H 4.196 -2.008 7.384 1.00 . A A . 7 GLN HG2 1 1 10 1209 1 1 7 GLN HG3 H 5.808 -1.441 7.818 1.00 . A A . 7 GLN HG3 1 1 10 1210 1 1 7 GLN N N 6.280 1.007 4.727 1.00 . A A . 7 GLN N 1 1 10 1211 1 1 7 GLN NE2 N 3.029 0.355 8.101 1.00 . A A . 7 GLN NE2 1 1 10 1212 1 1 7 GLN O O 8.059 -1.435 6.640 1.00 . A A . 7 GLN O 1 1 10 1213 1 1 7 GLN OE1 O 4.848 0.334 9.306 1.00 . A A . 7 GLN OE1 1 1 10 1214 1 1 8 GLY C C 8.231 -3.546 3.808 1.00 . A A . 8 GLY C 1 1 10 1215 1 1 8 GLY CA C 8.867 -2.206 4.177 1.00 . A A . 8 GLY CA 1 1 10 1216 1 1 8 GLY H H 7.323 -0.776 3.725 1.00 . A A . 8 GLY H 1 1 10 1217 1 1 8 GLY HA2 H 9.472 -1.854 3.352 1.00 . A A . 8 GLY HA2 1 1 10 1218 1 1 8 GLY HA3 H 9.487 -2.333 5.051 1.00 . A A . 8 GLY HA3 1 1 10 1219 1 1 8 GLY N N 7.796 -1.209 4.465 1.00 . A A . 8 GLY N 1 1 10 1220 1 1 8 GLY O O 8.590 -4.581 4.334 1.00 . A A . 8 GLY O 1 1 10 1221 1 1 9 MET C C 6.397 -4.827 0.985 1.00 . A A . 9 MET C 1 1 10 1222 1 1 9 MET CA C 6.622 -4.807 2.500 1.00 . A A . 9 MET CA 1 1 10 1223 1 1 9 MET CB C 5.284 -4.810 3.241 1.00 . A A . 9 MET CB 1 1 10 1224 1 1 9 MET CE C 4.151 -7.559 4.972 1.00 . A A . 9 MET CE 1 1 10 1225 1 1 9 MET CG C 5.509 -5.224 4.697 1.00 . A A . 9 MET CG 1 1 10 1226 1 1 9 MET H H 7.013 -2.687 2.495 1.00 . A A . 9 MET H 1 1 10 1227 1 1 9 MET HA H 7.214 -5.655 2.804 1.00 . A A . 9 MET HA 1 1 10 1228 1 1 9 MET HB2 H 4.854 -3.820 3.209 1.00 . A A . 9 MET HB2 1 1 10 1229 1 1 9 MET HB3 H 4.613 -5.511 2.769 1.00 . A A . 9 MET HB3 1 1 10 1230 1 1 9 MET HE1 H 5.181 -7.852 5.127 1.00 . A A . 9 MET HE1 1 1 10 1231 1 1 9 MET HE2 H 3.891 -7.708 3.936 1.00 . A A . 9 MET HE2 1 1 10 1232 1 1 9 MET HE3 H 3.502 -8.160 5.595 1.00 . A A . 9 MET HE3 1 1 10 1233 1 1 9 MET HG2 H 6.244 -6.014 4.737 1.00 . A A . 9 MET HG2 1 1 10 1234 1 1 9 MET HG3 H 5.861 -4.374 5.263 1.00 . A A . 9 MET HG3 1 1 10 1235 1 1 9 MET N N 7.286 -3.534 2.905 1.00 . A A . 9 MET N 1 1 10 1236 1 1 9 MET O O 5.454 -5.423 0.503 1.00 . A A . 9 MET O 1 1 10 1237 1 1 9 MET SD S 3.950 -5.813 5.403 1.00 . A A . 9 MET SD 1 1 10 1238 1 1 10 NH2 HN1 H 7.994 -3.713 0.595 1.00 . A A . 10 NH2 HN1 1 1 10 1239 1 1 10 NH2 HN2 H 7.099 -4.199 -0.763 1.00 . A A . 10 NH2 HN2 1 1 10 1240 1 1 10 NH2 N N 7.232 -4.194 0.208 1.00 . A A . 10 NH2 N 1 1 11 1241 1 1 1 SER C C 5.651 2.591 -3.901 1.00 . A A . 1 SER C 1 1 11 1242 1 1 1 SER CA C 5.037 1.979 -5.162 1.00 . A A . 1 SER CA 1 1 11 1243 1 1 1 SER CB C 3.560 1.660 -4.938 1.00 . A A . 1 SER CB 1 1 11 1244 1 1 1 SER H1 H 6.650 0.818 -5.787 1.00 . A A . 1 SER H1 1 1 11 1245 1 1 1 SER H2 H 5.133 0.175 -6.200 1.00 . A A . 1 SER H2 1 1 11 1246 1 1 1 SER H3 H 5.691 0.083 -4.598 1.00 . A A . 1 SER H3 1 1 11 1247 1 1 1 SER HA H 5.147 2.649 -6.000 1.00 . A A . 1 SER HA 1 1 11 1248 1 1 1 SER HB2 H 3.430 1.210 -3.968 1.00 . A A . 1 SER HB2 1 1 11 1249 1 1 1 SER HB3 H 2.984 2.574 -4.988 1.00 . A A . 1 SER HB3 1 1 11 1250 1 1 1 SER HG H 2.258 0.416 -5.675 1.00 . A A . 1 SER HG 1 1 11 1251 1 1 1 SER N N 5.676 0.664 -5.459 1.00 . A A . 1 SER N 1 1 11 1252 1 1 1 SER O O 6.216 1.900 -3.076 1.00 . A A . 1 SER O 1 1 11 1253 1 1 1 SER OG O 3.118 0.751 -5.938 1.00 . A A . 1 SER OG 1 1 11 1254 1 1 2 VAL C C 5.449 4.011 -1.269 1.00 . A A . 2 VAL C 1 1 11 1255 1 1 2 VAL CA C 6.124 4.543 -2.538 1.00 . A A . 2 VAL CA 1 1 11 1256 1 1 2 VAL CB C 5.840 6.037 -2.720 1.00 . A A . 2 VAL CB 1 1 11 1257 1 1 2 VAL CG1 C 4.328 6.278 -2.765 1.00 . A A . 2 VAL CG1 1 1 11 1258 1 1 2 VAL CG2 C 6.444 6.816 -1.550 1.00 . A A . 2 VAL CG2 1 1 11 1259 1 1 2 VAL H H 5.086 4.422 -4.425 1.00 . A A . 2 VAL H 1 1 11 1260 1 1 2 VAL HA H 7.187 4.374 -2.493 1.00 . A A . 2 VAL HA 1 1 11 1261 1 1 2 VAL HB H 6.283 6.375 -3.646 1.00 . A A . 2 VAL HB 1 1 11 1262 1 1 2 VAL HG11 H 3.933 6.267 -1.760 1.00 . A A . 2 VAL HG11 1 1 11 1263 1 1 2 VAL HG12 H 3.855 5.502 -3.347 1.00 . A A . 2 VAL HG12 1 1 11 1264 1 1 2 VAL HG13 H 4.131 7.238 -3.218 1.00 . A A . 2 VAL HG13 1 1 11 1265 1 1 2 VAL HG21 H 5.915 6.569 -0.641 1.00 . A A . 2 VAL HG21 1 1 11 1266 1 1 2 VAL HG22 H 6.358 7.876 -1.740 1.00 . A A . 2 VAL HG22 1 1 11 1267 1 1 2 VAL HG23 H 7.486 6.554 -1.443 1.00 . A A . 2 VAL HG23 1 1 11 1268 1 1 2 VAL N N 5.545 3.884 -3.746 1.00 . A A . 2 VAL N 1 1 11 1269 1 1 2 VAL O O 6.084 3.826 -0.249 1.00 . A A . 2 VAL O 1 1 11 1270 1 1 3 ALA C C 3.841 1.783 0.136 1.00 . A A . 3 ALA C 1 1 11 1271 1 1 3 ALA CA C 3.452 3.242 -0.124 1.00 . A A . 3 ALA CA 1 1 11 1272 1 1 3 ALA CB C 1.966 3.346 -0.468 1.00 . A A . 3 ALA CB 1 1 11 1273 1 1 3 ALA H H 3.676 3.919 -2.160 1.00 . A A . 3 ALA H 1 1 11 1274 1 1 3 ALA HA H 3.673 3.850 0.739 1.00 . A A . 3 ALA HA 1 1 11 1275 1 1 3 ALA HB1 H 1.841 3.302 -1.540 1.00 . A A . 3 ALA HB1 1 1 11 1276 1 1 3 ALA HB2 H 1.575 4.282 -0.098 1.00 . A A . 3 ALA HB2 1 1 11 1277 1 1 3 ALA HB3 H 1.432 2.527 -0.010 1.00 . A A . 3 ALA HB3 1 1 11 1278 1 1 3 ALA N N 4.167 3.764 -1.326 1.00 . A A . 3 ALA N 1 1 11 1279 1 1 3 ALA O O 3.623 1.257 1.210 1.00 . A A . 3 ALA O 1 1 11 1280 1 1 4 GLY C C 6.023 -0.368 0.288 1.00 . A A . 4 GLY C 1 1 11 1281 1 1 4 GLY CA C 4.814 -0.298 -0.645 1.00 . A A . 4 GLY CA 1 1 11 1282 1 1 4 GLY H H 4.580 1.567 -1.697 1.00 . A A . 4 GLY H 1 1 11 1283 1 1 4 GLY HA2 H 3.990 -0.847 -0.210 1.00 . A A . 4 GLY HA2 1 1 11 1284 1 1 4 GLY HA3 H 5.073 -0.733 -1.598 1.00 . A A . 4 GLY HA3 1 1 11 1285 1 1 4 GLY N N 4.414 1.125 -0.838 1.00 . A A . 4 GLY N 1 1 11 1286 1 1 4 GLY O O 6.179 -1.305 1.047 1.00 . A A . 4 GLY O 1 1 11 1287 1 1 5 ARG C C 7.852 1.480 2.358 1.00 . A A . 5 ARG C 1 1 11 1288 1 1 5 ARG CA C 8.083 0.604 1.121 1.00 . A A . 5 ARG CA 1 1 11 1289 1 1 5 ARG CB C 9.213 1.174 0.265 1.00 . A A . 5 ARG CB 1 1 11 1290 1 1 5 ARG CD C 10.271 0.959 -1.991 1.00 . A A . 5 ARG CD 1 1 11 1291 1 1 5 ARG CG C 9.514 0.214 -0.888 1.00 . A A . 5 ARG CG 1 1 11 1292 1 1 5 ARG CZ C 12.574 0.770 -2.769 1.00 . A A . 5 ARG CZ 1 1 11 1293 1 1 5 ARG H H 6.736 1.360 -0.384 1.00 . A A . 5 ARG H 1 1 11 1294 1 1 5 ARG HA H 8.321 -0.405 1.416 1.00 . A A . 5 ARG HA 1 1 11 1295 1 1 5 ARG HB2 H 8.915 2.134 -0.131 1.00 . A A . 5 ARG HB2 1 1 11 1296 1 1 5 ARG HB3 H 10.098 1.293 0.872 1.00 . A A . 5 ARG HB3 1 1 11 1297 1 1 5 ARG HD2 H 9.909 0.655 -2.963 1.00 . A A . 5 ARG HD2 1 1 11 1298 1 1 5 ARG HD3 H 10.167 2.026 -1.866 1.00 . A A . 5 ARG HD3 1 1 11 1299 1 1 5 ARG HE H 11.985 0.137 -0.979 1.00 . A A . 5 ARG HE 1 1 11 1300 1 1 5 ARG HG2 H 10.118 -0.605 -0.525 1.00 . A A . 5 ARG HG2 1 1 11 1301 1 1 5 ARG HG3 H 8.588 -0.171 -1.287 1.00 . A A . 5 ARG HG3 1 1 11 1302 1 1 5 ARG HH11 H 11.268 1.618 -4.036 1.00 . A A . 5 ARG HH11 1 1 11 1303 1 1 5 ARG HH12 H 12.895 1.491 -4.611 1.00 . A A . 5 ARG HH12 1 1 11 1304 1 1 5 ARG HH21 H 14.095 -0.022 -1.738 1.00 . A A . 5 ARG HH21 1 1 11 1305 1 1 5 ARG HH22 H 14.488 0.567 -3.318 1.00 . A A . 5 ARG HH22 1 1 11 1306 1 1 5 ARG N N 6.881 0.615 0.236 1.00 . A A . 5 ARG N 1 1 11 1307 1 1 5 ARG NE N 11.698 0.561 -1.815 1.00 . A A . 5 ARG NE 1 1 11 1308 1 1 5 ARG NH1 N 12.216 1.338 -3.893 1.00 . A A . 5 ARG NH1 1 1 11 1309 1 1 5 ARG NH2 N 13.816 0.410 -2.595 1.00 . A A . 5 ARG NH2 1 1 11 1310 1 1 5 ARG O O 8.681 1.536 3.245 1.00 . A A . 5 ARG O 1 1 11 1311 1 1 6 ALA C C 6.630 2.208 4.903 1.00 . A A . 6 ALA C 1 1 11 1312 1 1 6 ALA CA C 6.461 3.025 3.620 1.00 . A A . 6 ALA CA 1 1 11 1313 1 1 6 ALA CB C 5.009 3.478 3.459 1.00 . A A . 6 ALA CB 1 1 11 1314 1 1 6 ALA H H 6.076 2.102 1.707 1.00 . A A . 6 ALA H 1 1 11 1315 1 1 6 ALA HA H 7.118 3.881 3.625 1.00 . A A . 6 ALA HA 1 1 11 1316 1 1 6 ALA HB1 H 4.426 2.673 3.036 1.00 . A A . 6 ALA HB1 1 1 11 1317 1 1 6 ALA HB2 H 4.970 4.334 2.801 1.00 . A A . 6 ALA HB2 1 1 11 1318 1 1 6 ALA HB3 H 4.607 3.746 4.424 1.00 . A A . 6 ALA HB3 1 1 11 1319 1 1 6 ALA N N 6.735 2.161 2.430 1.00 . A A . 6 ALA N 1 1 11 1320 1 1 6 ALA O O 7.096 2.702 5.912 1.00 . A A . 6 ALA O 1 1 11 1321 1 1 7 GLN C C 7.491 -0.972 5.811 1.00 . A A . 7 GLN C 1 1 11 1322 1 1 7 GLN CA C 6.411 0.087 6.063 1.00 . A A . 7 GLN CA 1 1 11 1323 1 1 7 GLN CB C 5.040 -0.570 6.255 1.00 . A A . 7 GLN CB 1 1 11 1324 1 1 7 GLN CD C 3.408 -0.756 4.365 1.00 . A A . 7 GLN CD 1 1 11 1325 1 1 7 GLN CG C 4.661 -1.364 4.999 1.00 . A A . 7 GLN CG 1 1 11 1326 1 1 7 GLN H H 5.901 0.583 4.031 1.00 . A A . 7 GLN H 1 1 11 1327 1 1 7 GLN HA H 6.660 0.681 6.928 1.00 . A A . 7 GLN HA 1 1 11 1328 1 1 7 GLN HB2 H 5.079 -1.237 7.104 1.00 . A A . 7 GLN HB2 1 1 11 1329 1 1 7 GLN HB3 H 4.299 0.195 6.434 1.00 . A A . 7 GLN HB3 1 1 11 1330 1 1 7 GLN HE21 H 4.120 -0.864 2.514 1.00 . A A . 7 GLN HE21 1 1 11 1331 1 1 7 GLN HE22 H 2.562 -0.206 2.655 1.00 . A A . 7 GLN HE22 1 1 11 1332 1 1 7 GLN HG2 H 5.476 -1.332 4.291 1.00 . A A . 7 GLN HG2 1 1 11 1333 1 1 7 GLN HG3 H 4.462 -2.390 5.270 1.00 . A A . 7 GLN HG3 1 1 11 1334 1 1 7 GLN N N 6.265 0.956 4.861 1.00 . A A . 7 GLN N 1 1 11 1335 1 1 7 GLN NE2 N 3.359 -0.595 3.070 1.00 . A A . 7 GLN NE2 1 1 11 1336 1 1 7 GLN O O 8.042 -1.541 6.733 1.00 . A A . 7 GLN O 1 1 11 1337 1 1 7 GLN OE1 O 2.464 -0.423 5.054 1.00 . A A . 7 GLN OE1 1 1 11 1338 1 1 8 GLY C C 8.172 -3.539 3.764 1.00 . A A . 8 GLY C 1 1 11 1339 1 1 8 GLY CA C 8.841 -2.252 4.250 1.00 . A A . 8 GLY CA 1 1 11 1340 1 1 8 GLY H H 7.341 -0.764 3.839 1.00 . A A . 8 GLY H 1 1 11 1341 1 1 8 GLY HA2 H 9.492 -1.868 3.475 1.00 . A A . 8 GLY HA2 1 1 11 1342 1 1 8 GLY HA3 H 9.420 -2.463 5.135 1.00 . A A . 8 GLY HA3 1 1 11 1343 1 1 8 GLY N N 7.798 -1.236 4.567 1.00 . A A . 8 GLY N 1 1 11 1344 1 1 8 GLY O O 8.487 -4.622 4.216 1.00 . A A . 8 GLY O 1 1 11 1345 1 1 9 MET C C 7.082 -4.991 0.929 1.00 . A A . 9 MET C 1 1 11 1346 1 1 9 MET CA C 6.558 -4.642 2.325 1.00 . A A . 9 MET CA 1 1 11 1347 1 1 9 MET CB C 5.078 -4.257 2.263 1.00 . A A . 9 MET CB 1 1 11 1348 1 1 9 MET CE C 3.724 -7.218 4.661 1.00 . A A . 9 MET CE 1 1 11 1349 1 1 9 MET CG C 4.340 -4.863 3.458 1.00 . A A . 9 MET CG 1 1 11 1350 1 1 9 MET H H 7.014 -2.542 2.495 1.00 . A A . 9 MET H 1 1 11 1351 1 1 9 MET HA H 6.696 -5.472 2.999 1.00 . A A . 9 MET HA 1 1 11 1352 1 1 9 MET HB2 H 4.986 -3.181 2.290 1.00 . A A . 9 MET HB2 1 1 11 1353 1 1 9 MET HB3 H 4.647 -4.633 1.347 1.00 . A A . 9 MET HB3 1 1 11 1354 1 1 9 MET HE1 H 4.595 -7.852 4.755 1.00 . A A . 9 MET HE1 1 1 11 1355 1 1 9 MET HE2 H 2.835 -7.807 4.816 1.00 . A A . 9 MET HE2 1 1 11 1356 1 1 9 MET HE3 H 3.765 -6.429 5.399 1.00 . A A . 9 MET HE3 1 1 11 1357 1 1 9 MET HG2 H 5.023 -4.968 4.288 1.00 . A A . 9 MET HG2 1 1 11 1358 1 1 9 MET HG3 H 3.524 -4.216 3.744 1.00 . A A . 9 MET HG3 1 1 11 1359 1 1 9 MET N N 7.251 -3.427 2.845 1.00 . A A . 9 MET N 1 1 11 1360 1 1 9 MET O O 8.095 -4.479 0.497 1.00 . A A . 9 MET O 1 1 11 1361 1 1 9 MET SD S 3.688 -6.490 3.005 1.00 . A A . 9 MET SD 1 1 11 1362 1 1 10 NH2 HN1 H 5.609 -6.266 0.544 1.00 . A A . 10 NH2 HN1 1 1 11 1363 1 1 10 NH2 HN2 H 6.752 -6.082 -0.697 1.00 . A A . 10 NH2 HN2 1 1 11 1364 1 1 10 NH2 N N 6.426 -5.851 0.198 1.00 . A A . 10 NH2 N 1 1 12 1365 1 1 1 SER C C 5.060 2.569 -4.094 1.00 . A A . 1 SER C 1 1 12 1366 1 1 1 SER CA C 4.164 2.088 -5.239 1.00 . A A . 1 SER CA 1 1 12 1367 1 1 1 SER CB C 2.781 2.727 -5.143 1.00 . A A . 1 SER CB 1 1 12 1368 1 1 1 SER H1 H 3.592 0.401 -4.159 1.00 . A A . 1 SER H1 1 1 12 1369 1 1 1 SER H2 H 4.806 0.107 -5.312 1.00 . A A . 1 SER H2 1 1 12 1370 1 1 1 SER H3 H 3.196 0.334 -5.807 1.00 . A A . 1 SER H3 1 1 12 1371 1 1 1 SER HA H 4.613 2.320 -6.192 1.00 . A A . 1 SER HA 1 1 12 1372 1 1 1 SER HB2 H 2.881 3.793 -5.024 1.00 . A A . 1 SER HB2 1 1 12 1373 1 1 1 SER HB3 H 2.226 2.521 -6.049 1.00 . A A . 1 SER HB3 1 1 12 1374 1 1 1 SER HG H 2.522 2.524 -3.226 1.00 . A A . 1 SER HG 1 1 12 1375 1 1 1 SER N N 3.922 0.621 -5.120 1.00 . A A . 1 SER N 1 1 12 1376 1 1 1 SER O O 5.594 1.781 -3.338 1.00 . A A . 1 SER O 1 1 12 1377 1 1 1 SER OG O 2.094 2.193 -4.018 1.00 . A A . 1 SER OG 1 1 12 1378 1 1 2 VAL C C 5.538 3.962 -1.499 1.00 . A A . 2 VAL C 1 1 12 1379 1 1 2 VAL CA C 6.087 4.394 -2.863 1.00 . A A . 2 VAL CA 1 1 12 1380 1 1 2 VAL CB C 6.026 5.916 -3.015 1.00 . A A . 2 VAL CB 1 1 12 1381 1 1 2 VAL CG1 C 4.584 6.400 -2.844 1.00 . A A . 2 VAL CG1 1 1 12 1382 1 1 2 VAL CG2 C 6.912 6.570 -1.950 1.00 . A A . 2 VAL CG2 1 1 12 1383 1 1 2 VAL H H 4.784 4.475 -4.581 1.00 . A A . 2 VAL H 1 1 12 1384 1 1 2 VAL HA H 7.102 4.052 -2.985 1.00 . A A . 2 VAL HA 1 1 12 1385 1 1 2 VAL HB H 6.382 6.191 -3.998 1.00 . A A . 2 VAL HB 1 1 12 1386 1 1 2 VAL HG11 H 3.910 5.692 -3.304 1.00 . A A . 2 VAL HG11 1 1 12 1387 1 1 2 VAL HG12 H 4.470 7.365 -3.315 1.00 . A A . 2 VAL HG12 1 1 12 1388 1 1 2 VAL HG13 H 4.355 6.483 -1.792 1.00 . A A . 2 VAL HG13 1 1 12 1389 1 1 2 VAL HG21 H 7.149 7.579 -2.250 1.00 . A A . 2 VAL HG21 1 1 12 1390 1 1 2 VAL HG22 H 7.824 6.002 -1.844 1.00 . A A . 2 VAL HG22 1 1 12 1391 1 1 2 VAL HG23 H 6.386 6.587 -1.007 1.00 . A A . 2 VAL HG23 1 1 12 1392 1 1 2 VAL N N 5.225 3.859 -3.959 1.00 . A A . 2 VAL N 1 1 12 1393 1 1 2 VAL O O 6.284 3.695 -0.576 1.00 . A A . 2 VAL O 1 1 12 1394 1 1 3 ALA C C 3.983 2.016 0.239 1.00 . A A . 3 ALA C 1 1 12 1395 1 1 3 ALA CA C 3.641 3.478 -0.063 1.00 . A A . 3 ALA CA 1 1 12 1396 1 1 3 ALA CB C 2.133 3.648 -0.248 1.00 . A A . 3 ALA CB 1 1 12 1397 1 1 3 ALA H H 3.660 4.112 -2.125 1.00 . A A . 3 ALA H 1 1 12 1398 1 1 3 ALA HA H 3.989 4.119 0.731 1.00 . A A . 3 ALA HA 1 1 12 1399 1 1 3 ALA HB1 H 1.612 3.044 0.481 1.00 . A A . 3 ALA HB1 1 1 12 1400 1 1 3 ALA HB2 H 1.854 3.332 -1.242 1.00 . A A . 3 ALA HB2 1 1 12 1401 1 1 3 ALA HB3 H 1.868 4.686 -0.111 1.00 . A A . 3 ALA HB3 1 1 12 1402 1 1 3 ALA N N 4.241 3.893 -1.366 1.00 . A A . 3 ALA N 1 1 12 1403 1 1 3 ALA O O 3.933 1.580 1.373 1.00 . A A . 3 ALA O 1 1 12 1404 1 1 4 GLY C C 5.863 -0.276 0.417 1.00 . A A . 4 GLY C 1 1 12 1405 1 1 4 GLY CA C 4.672 -0.180 -0.536 1.00 . A A . 4 GLY CA 1 1 12 1406 1 1 4 GLY H H 4.362 1.625 -1.673 1.00 . A A . 4 GLY H 1 1 12 1407 1 1 4 GLY HA2 H 3.822 -0.688 -0.105 1.00 . A A . 4 GLY HA2 1 1 12 1408 1 1 4 GLY HA3 H 4.930 -0.644 -1.476 1.00 . A A . 4 GLY HA3 1 1 12 1409 1 1 4 GLY N N 4.328 1.254 -0.767 1.00 . A A . 4 GLY N 1 1 12 1410 1 1 4 GLY O O 5.923 -1.148 1.262 1.00 . A A . 4 GLY O 1 1 12 1411 1 1 5 ARG C C 7.759 1.443 2.430 1.00 . A A . 5 ARG C 1 1 12 1412 1 1 5 ARG CA C 7.997 0.573 1.191 1.00 . A A . 5 ARG CA 1 1 12 1413 1 1 5 ARG CB C 9.151 1.128 0.358 1.00 . A A . 5 ARG CB 1 1 12 1414 1 1 5 ARG CD C 9.903 0.886 -2.018 1.00 . A A . 5 ARG CD 1 1 12 1415 1 1 5 ARG CG C 9.513 0.130 -0.744 1.00 . A A . 5 ARG CG 1 1 12 1416 1 1 5 ARG CZ C 9.184 0.621 -4.332 1.00 . A A . 5 ARG CZ 1 1 12 1417 1 1 5 ARG H H 6.740 1.309 -0.399 1.00 . A A . 5 ARG H 1 1 12 1418 1 1 5 ARG HA H 8.212 -0.444 1.481 1.00 . A A . 5 ARG HA 1 1 12 1419 1 1 5 ARG HB2 H 8.854 2.067 -0.086 1.00 . A A . 5 ARG HB2 1 1 12 1420 1 1 5 ARG HB3 H 10.010 1.286 0.993 1.00 . A A . 5 ARG HB3 1 1 12 1421 1 1 5 ARG HD2 H 9.803 1.953 -1.867 1.00 . A A . 5 ARG HD2 1 1 12 1422 1 1 5 ARG HD3 H 10.913 0.641 -2.307 1.00 . A A . 5 ARG HD3 1 1 12 1423 1 1 5 ARG HE H 8.127 -0.055 -2.791 1.00 . A A . 5 ARG HE 1 1 12 1424 1 1 5 ARG HG2 H 10.344 -0.479 -0.418 1.00 . A A . 5 ARG HG2 1 1 12 1425 1 1 5 ARG HG3 H 8.663 -0.504 -0.949 1.00 . A A . 5 ARG HG3 1 1 12 1426 1 1 5 ARG HH11 H 10.923 1.582 -4.039 1.00 . A A . 5 ARG HH11 1 1 12 1427 1 1 5 ARG HH12 H 10.437 1.400 -5.690 1.00 . A A . 5 ARG HH12 1 1 12 1428 1 1 5 ARG HH21 H 7.506 -0.284 -4.939 1.00 . A A . 5 ARG HH21 1 1 12 1429 1 1 5 ARG HH22 H 8.512 0.349 -6.198 1.00 . A A . 5 ARG HH22 1 1 12 1430 1 1 5 ARG N N 6.810 0.613 0.289 1.00 . A A . 5 ARG N 1 1 12 1431 1 1 5 ARG NE N 8.944 0.415 -3.059 1.00 . A A . 5 ARG NE 1 1 12 1432 1 1 5 ARG NH1 N 10.266 1.251 -4.716 1.00 . A A . 5 ARG NH1 1 1 12 1433 1 1 5 ARG NH2 N 8.335 0.196 -5.227 1.00 . A A . 5 ARG NH2 1 1 12 1434 1 1 5 ARG O O 8.588 1.505 3.318 1.00 . A A . 5 ARG O 1 1 12 1435 1 1 6 ALA C C 6.511 2.142 4.974 1.00 . A A . 6 ALA C 1 1 12 1436 1 1 6 ALA CA C 6.351 2.967 3.697 1.00 . A A . 6 ALA CA 1 1 12 1437 1 1 6 ALA CB C 4.900 3.419 3.527 1.00 . A A . 6 ALA CB 1 1 12 1438 1 1 6 ALA H H 5.976 2.045 1.783 1.00 . A A . 6 ALA H 1 1 12 1439 1 1 6 ALA HA H 7.006 3.823 3.713 1.00 . A A . 6 ALA HA 1 1 12 1440 1 1 6 ALA HB1 H 4.772 3.867 2.552 1.00 . A A . 6 ALA HB1 1 1 12 1441 1 1 6 ALA HB2 H 4.657 4.144 4.290 1.00 . A A . 6 ALA HB2 1 1 12 1442 1 1 6 ALA HB3 H 4.243 2.567 3.620 1.00 . A A . 6 ALA HB3 1 1 12 1443 1 1 6 ALA N N 6.634 2.111 2.505 1.00 . A A . 6 ALA N 1 1 12 1444 1 1 6 ALA O O 6.918 2.641 6.005 1.00 . A A . 6 ALA O 1 1 12 1445 1 1 7 GLN C C 7.479 -1.011 5.870 1.00 . A A . 7 GLN C 1 1 12 1446 1 1 7 GLN CA C 6.348 -0.004 6.098 1.00 . A A . 7 GLN CA 1 1 12 1447 1 1 7 GLN CB C 5.001 -0.720 6.235 1.00 . A A . 7 GLN CB 1 1 12 1448 1 1 7 GLN CD C 3.555 -2.489 5.222 1.00 . A A . 7 GLN CD 1 1 12 1449 1 1 7 GLN CG C 4.699 -1.508 4.958 1.00 . A A . 7 GLN CG 1 1 12 1450 1 1 7 GLN H H 5.889 0.497 4.056 1.00 . A A . 7 GLN H 1 1 12 1451 1 1 7 GLN HA H 6.542 0.589 6.979 1.00 . A A . 7 GLN HA 1 1 12 1452 1 1 7 GLN HB2 H 5.038 -1.398 7.076 1.00 . A A . 7 GLN HB2 1 1 12 1453 1 1 7 GLN HB3 H 4.222 0.010 6.398 1.00 . A A . 7 GLN HB3 1 1 12 1454 1 1 7 GLN HE21 H 4.559 -3.510 6.597 1.00 . A A . 7 GLN HE21 1 1 12 1455 1 1 7 GLN HE22 H 2.986 -4.067 6.284 1.00 . A A . 7 GLN HE22 1 1 12 1456 1 1 7 GLN HG2 H 4.412 -0.824 4.172 1.00 . A A . 7 GLN HG2 1 1 12 1457 1 1 7 GLN HG3 H 5.577 -2.057 4.655 1.00 . A A . 7 GLN HG3 1 1 12 1458 1 1 7 GLN N N 6.205 0.875 4.903 1.00 . A A . 7 GLN N 1 1 12 1459 1 1 7 GLN NE2 N 3.713 -3.434 6.108 1.00 . A A . 7 GLN NE2 1 1 12 1460 1 1 7 GLN O O 8.069 -1.519 6.803 1.00 . A A . 7 GLN O 1 1 12 1461 1 1 7 GLN OE1 O 2.507 -2.396 4.614 1.00 . A A . 7 GLN OE1 1 1 12 1462 1 1 8 GLY C C 8.282 -3.554 3.764 1.00 . A A . 8 GLY C 1 1 12 1463 1 1 8 GLY CA C 8.880 -2.268 4.334 1.00 . A A . 8 GLY CA 1 1 12 1464 1 1 8 GLY H H 7.297 -0.875 3.893 1.00 . A A . 8 GLY H 1 1 12 1465 1 1 8 GLY HA2 H 9.557 -1.833 3.612 1.00 . A A . 8 GLY HA2 1 1 12 1466 1 1 8 GLY HA3 H 9.416 -2.495 5.242 1.00 . A A . 8 GLY HA3 1 1 12 1467 1 1 8 GLY N N 7.786 -1.299 4.630 1.00 . A A . 8 GLY N 1 1 12 1468 1 1 8 GLY O O 8.625 -4.645 4.176 1.00 . A A . 8 GLY O 1 1 12 1469 1 1 9 MET C C 6.935 -4.630 0.692 1.00 . A A . 9 MET C 1 1 12 1470 1 1 9 MET CA C 6.769 -4.652 2.215 1.00 . A A . 9 MET CA 1 1 12 1471 1 1 9 MET CB C 5.289 -4.572 2.597 1.00 . A A . 9 MET CB 1 1 12 1472 1 1 9 MET CE C 4.520 -8.237 4.286 1.00 . A A . 9 MET CE 1 1 12 1473 1 1 9 MET CG C 4.970 -5.637 3.647 1.00 . A A . 9 MET CG 1 1 12 1474 1 1 9 MET H H 7.130 -2.546 2.499 1.00 . A A . 9 MET H 1 1 12 1475 1 1 9 MET HA H 7.210 -5.544 2.630 1.00 . A A . 9 MET HA 1 1 12 1476 1 1 9 MET HB2 H 5.073 -3.592 2.999 1.00 . A A . 9 MET HB2 1 1 12 1477 1 1 9 MET HB3 H 4.680 -4.740 1.720 1.00 . A A . 9 MET HB3 1 1 12 1478 1 1 9 MET HE1 H 4.314 -9.258 3.994 1.00 . A A . 9 MET HE1 1 1 12 1479 1 1 9 MET HE2 H 3.764 -7.906 4.981 1.00 . A A . 9 MET HE2 1 1 12 1480 1 1 9 MET HE3 H 5.491 -8.181 4.759 1.00 . A A . 9 MET HE3 1 1 12 1481 1 1 9 MET HG2 H 5.842 -5.809 4.261 1.00 . A A . 9 MET HG2 1 1 12 1482 1 1 9 MET HG3 H 4.154 -5.299 4.268 1.00 . A A . 9 MET HG3 1 1 12 1483 1 1 9 MET N N 7.390 -3.435 2.816 1.00 . A A . 9 MET N 1 1 12 1484 1 1 9 MET O O 7.506 -3.711 0.141 1.00 . A A . 9 MET O 1 1 12 1485 1 1 9 MET SD S 4.502 -7.178 2.819 1.00 . A A . 9 MET SD 1 1 12 1486 1 1 10 NH2 HN1 H 5.993 -6.358 0.427 1.00 . A A . 10 NH2 HN1 1 1 12 1487 1 1 10 NH2 HN2 H 6.554 -5.612 -0.990 1.00 . A A . 10 NH2 HN2 1 1 12 1488 1 1 10 NH2 N N 6.454 -5.615 -0.016 1.00 . A A . 10 NH2 N 1 1 13 1489 1 1 1 SER C C 6.245 2.266 -3.637 1.00 . A A . 1 SER C 1 1 13 1490 1 1 1 SER CA C 5.890 1.558 -4.948 1.00 . A A . 1 SER CA 1 1 13 1491 1 1 1 SER CB C 4.382 1.600 -5.188 1.00 . A A . 1 SER CB 1 1 13 1492 1 1 1 SER H1 H 5.841 -0.389 -5.686 1.00 . A A . 1 SER H1 1 1 13 1493 1 1 1 SER H2 H 5.811 -0.291 -3.990 1.00 . A A . 1 SER H2 1 1 13 1494 1 1 1 SER H3 H 7.258 -0.009 -4.835 1.00 . A A . 1 SER H3 1 1 13 1495 1 1 1 SER HA H 6.408 2.015 -5.776 1.00 . A A . 1 SER HA 1 1 13 1496 1 1 1 SER HB2 H 4.008 2.589 -4.977 1.00 . A A . 1 SER HB2 1 1 13 1497 1 1 1 SER HB3 H 4.175 1.354 -6.222 1.00 . A A . 1 SER HB3 1 1 13 1498 1 1 1 SER HG H 3.058 0.220 -4.831 1.00 . A A . 1 SER HG 1 1 13 1499 1 1 1 SER N N 6.226 0.108 -4.858 1.00 . A A . 1 SER N 1 1 13 1500 1 1 1 SER O O 6.669 1.646 -2.682 1.00 . A A . 1 SER O 1 1 13 1501 1 1 1 SER OG O 3.743 0.666 -4.329 1.00 . A A . 1 SER OG 1 1 13 1502 1 1 2 VAL C C 5.524 3.820 -1.184 1.00 . A A . 2 VAL C 1 1 13 1503 1 1 2 VAL CA C 6.400 4.311 -2.337 1.00 . A A . 2 VAL CA 1 1 13 1504 1 1 2 VAL CB C 6.094 5.773 -2.659 1.00 . A A . 2 VAL CB 1 1 13 1505 1 1 2 VAL CG1 C 6.389 6.639 -1.433 1.00 . A A . 2 VAL CG1 1 1 13 1506 1 1 2 VAL CG2 C 6.967 6.229 -3.829 1.00 . A A . 2 VAL CG2 1 1 13 1507 1 1 2 VAL H H 5.730 4.039 -4.370 1.00 . A A . 2 VAL H 1 1 13 1508 1 1 2 VAL HA H 7.444 4.199 -2.093 1.00 . A A . 2 VAL HA 1 1 13 1509 1 1 2 VAL HB H 5.051 5.871 -2.926 1.00 . A A . 2 VAL HB 1 1 13 1510 1 1 2 VAL HG11 H 6.581 7.654 -1.747 1.00 . A A . 2 VAL HG11 1 1 13 1511 1 1 2 VAL HG12 H 7.256 6.250 -0.920 1.00 . A A . 2 VAL HG12 1 1 13 1512 1 1 2 VAL HG13 H 5.539 6.622 -0.767 1.00 . A A . 2 VAL HG13 1 1 13 1513 1 1 2 VAL HG21 H 6.527 5.897 -4.758 1.00 . A A . 2 VAL HG21 1 1 13 1514 1 1 2 VAL HG22 H 7.955 5.804 -3.726 1.00 . A A . 2 VAL HG22 1 1 13 1515 1 1 2 VAL HG23 H 7.036 7.307 -3.828 1.00 . A A . 2 VAL HG23 1 1 13 1516 1 1 2 VAL N N 6.074 3.560 -3.587 1.00 . A A . 2 VAL N 1 1 13 1517 1 1 2 VAL O O 6.014 3.395 -0.156 1.00 . A A . 2 VAL O 1 1 13 1518 1 1 3 ALA C C 3.610 1.940 0.078 1.00 . A A . 3 ALA C 1 1 13 1519 1 1 3 ALA CA C 3.315 3.404 -0.266 1.00 . A A . 3 ALA CA 1 1 13 1520 1 1 3 ALA CB C 1.907 3.544 -0.843 1.00 . A A . 3 ALA CB 1 1 13 1521 1 1 3 ALA H H 3.857 4.216 -2.189 1.00 . A A . 3 ALA H 1 1 13 1522 1 1 3 ALA HA H 3.419 4.026 0.609 1.00 . A A . 3 ALA HA 1 1 13 1523 1 1 3 ALA HB1 H 1.489 4.495 -0.547 1.00 . A A . 3 ALA HB1 1 1 13 1524 1 1 3 ALA HB2 H 1.284 2.745 -0.469 1.00 . A A . 3 ALA HB2 1 1 13 1525 1 1 3 ALA HB3 H 1.953 3.490 -1.922 1.00 . A A . 3 ALA HB3 1 1 13 1526 1 1 3 ALA N N 4.229 3.872 -1.350 1.00 . A A . 3 ALA N 1 1 13 1527 1 1 3 ALA O O 3.249 1.458 1.135 1.00 . A A . 3 ALA O 1 1 13 1528 1 1 4 GLY C C 5.829 -0.279 0.356 1.00 . A A . 4 GLY C 1 1 13 1529 1 1 4 GLY CA C 4.585 -0.197 -0.527 1.00 . A A . 4 GLY CA 1 1 13 1530 1 1 4 GLY H H 4.549 1.643 -1.649 1.00 . A A . 4 GLY H 1 1 13 1531 1 1 4 GLY HA2 H 3.750 -0.660 -0.021 1.00 . A A . 4 GLY HA2 1 1 13 1532 1 1 4 GLY HA3 H 4.773 -0.711 -1.458 1.00 . A A . 4 GLY HA3 1 1 13 1533 1 1 4 GLY N N 4.265 1.233 -0.804 1.00 . A A . 4 GLY N 1 1 13 1534 1 1 4 GLY O O 5.975 -1.183 1.155 1.00 . A A . 4 GLY O 1 1 13 1535 1 1 5 ARG C C 7.767 1.457 2.331 1.00 . A A . 5 ARG C 1 1 13 1536 1 1 5 ARG CA C 7.965 0.635 1.053 1.00 . A A . 5 ARG CA 1 1 13 1537 1 1 5 ARG CB C 9.050 1.259 0.178 1.00 . A A . 5 ARG CB 1 1 13 1538 1 1 5 ARG CD C 10.534 0.901 -1.801 1.00 . A A . 5 ARG CD 1 1 13 1539 1 1 5 ARG CG C 9.443 0.277 -0.927 1.00 . A A . 5 ARG CG 1 1 13 1540 1 1 5 ARG CZ C 12.724 1.815 -1.241 1.00 . A A . 5 ARG CZ 1 1 13 1541 1 1 5 ARG H H 6.591 1.379 -0.432 1.00 . A A . 5 ARG H 1 1 13 1542 1 1 5 ARG HA H 8.232 -0.381 1.299 1.00 . A A . 5 ARG HA 1 1 13 1543 1 1 5 ARG HB2 H 8.675 2.169 -0.265 1.00 . A A . 5 ARG HB2 1 1 13 1544 1 1 5 ARG HB3 H 9.916 1.482 0.783 1.00 . A A . 5 ARG HB3 1 1 13 1545 1 1 5 ARG HD2 H 10.771 0.247 -2.629 1.00 . A A . 5 ARG HD2 1 1 13 1546 1 1 5 ARG HD3 H 10.220 1.868 -2.162 1.00 . A A . 5 ARG HD3 1 1 13 1547 1 1 5 ARG HE H 11.735 0.572 -0.044 1.00 . A A . 5 ARG HE 1 1 13 1548 1 1 5 ARG HG2 H 9.816 -0.635 -0.482 1.00 . A A . 5 ARG HG2 1 1 13 1549 1 1 5 ARG HG3 H 8.580 0.054 -1.536 1.00 . A A . 5 ARG HG3 1 1 13 1550 1 1 5 ARG HH11 H 11.943 2.378 -3.002 1.00 . A A . 5 ARG HH11 1 1 13 1551 1 1 5 ARG HH12 H 13.496 3.040 -2.625 1.00 . A A . 5 ARG HH12 1 1 13 1552 1 1 5 ARG HH21 H 13.755 1.439 0.434 1.00 . A A . 5 ARG HH21 1 1 13 1553 1 1 5 ARG HH22 H 14.517 2.513 -0.691 1.00 . A A . 5 ARG HH22 1 1 13 1554 1 1 5 ARG N N 6.729 0.659 0.220 1.00 . A A . 5 ARG N 1 1 13 1555 1 1 5 ARG NE N 11.714 1.050 -0.900 1.00 . A A . 5 ARG NE 1 1 13 1556 1 1 5 ARG NH1 N 12.719 2.462 -2.379 1.00 . A A . 5 ARG NH1 1 1 13 1557 1 1 5 ARG NH2 N 13.745 1.931 -0.437 1.00 . A A . 5 ARG NH2 1 1 13 1558 1 1 5 ARG O O 8.580 1.415 3.233 1.00 . A A . 5 ARG O 1 1 13 1559 1 1 6 ALA C C 6.567 2.138 4.893 1.00 . A A . 6 ALA C 1 1 13 1560 1 1 6 ALA CA C 6.446 3.020 3.648 1.00 . A A . 6 ALA CA 1 1 13 1561 1 1 6 ALA CB C 5.017 3.545 3.498 1.00 . A A . 6 ALA CB 1 1 13 1562 1 1 6 ALA H H 6.046 2.222 1.685 1.00 . A A . 6 ALA H 1 1 13 1563 1 1 6 ALA HA H 7.140 3.844 3.699 1.00 . A A . 6 ALA HA 1 1 13 1564 1 1 6 ALA HB1 H 4.317 2.743 3.686 1.00 . A A . 6 ALA HB1 1 1 13 1565 1 1 6 ALA HB2 H 4.875 3.920 2.496 1.00 . A A . 6 ALA HB2 1 1 13 1566 1 1 6 ALA HB3 H 4.849 4.342 4.209 1.00 . A A . 6 ALA HB3 1 1 13 1567 1 1 6 ALA N N 6.692 2.203 2.421 1.00 . A A . 6 ALA N 1 1 13 1568 1 1 6 ALA O O 6.957 2.586 5.953 1.00 . A A . 6 ALA O 1 1 13 1569 1 1 7 GLN C C 7.486 -1.051 5.680 1.00 . A A . 7 GLN C 1 1 13 1570 1 1 7 GLN CA C 6.349 -0.053 5.920 1.00 . A A . 7 GLN CA 1 1 13 1571 1 1 7 GLN CB C 5.004 -0.783 5.975 1.00 . A A . 7 GLN CB 1 1 13 1572 1 1 7 GLN CD C 3.957 1.045 7.323 1.00 . A A . 7 GLN CD 1 1 13 1573 1 1 7 GLN CG C 3.860 0.234 6.029 1.00 . A A . 7 GLN CG 1 1 13 1574 1 1 7 GLN H H 5.942 0.543 3.891 1.00 . A A . 7 GLN H 1 1 13 1575 1 1 7 GLN HA H 6.512 0.496 6.834 1.00 . A A . 7 GLN HA 1 1 13 1576 1 1 7 GLN HB2 H 4.894 -1.400 5.094 1.00 . A A . 7 GLN HB2 1 1 13 1577 1 1 7 GLN HB3 H 4.970 -1.405 6.856 1.00 . A A . 7 GLN HB3 1 1 13 1578 1 1 7 GLN HE21 H 4.003 -0.559 8.492 1.00 . A A . 7 GLN HE21 1 1 13 1579 1 1 7 GLN HE22 H 4.080 0.932 9.301 1.00 . A A . 7 GLN HE22 1 1 13 1580 1 1 7 GLN HG2 H 3.930 0.899 5.180 1.00 . A A . 7 GLN HG2 1 1 13 1581 1 1 7 GLN HG3 H 2.915 -0.287 6.002 1.00 . A A . 7 GLN HG3 1 1 13 1582 1 1 7 GLN N N 6.245 0.879 4.760 1.00 . A A . 7 GLN N 1 1 13 1583 1 1 7 GLN NE2 N 4.018 0.422 8.468 1.00 . A A . 7 GLN NE2 1 1 13 1584 1 1 7 GLN O O 7.971 -1.686 6.596 1.00 . A A . 7 GLN O 1 1 13 1585 1 1 7 GLN OE1 O 3.976 2.260 7.293 1.00 . A A . 7 GLN OE1 1 1 13 1586 1 1 8 GLY C C 8.398 -3.476 3.677 1.00 . A A . 8 GLY C 1 1 13 1587 1 1 8 GLY CA C 9.008 -2.154 4.142 1.00 . A A . 8 GLY CA 1 1 13 1588 1 1 8 GLY H H 7.500 -0.677 3.727 1.00 . A A . 8 GLY H 1 1 13 1589 1 1 8 GLY HA2 H 9.632 -1.746 3.359 1.00 . A A . 8 GLY HA2 1 1 13 1590 1 1 8 GLY HA3 H 9.599 -2.325 5.027 1.00 . A A . 8 GLY HA3 1 1 13 1591 1 1 8 GLY N N 7.910 -1.196 4.450 1.00 . A A . 8 GLY N 1 1 13 1592 1 1 8 GLY O O 8.883 -4.544 3.998 1.00 . A A . 8 GLY O 1 1 13 1593 1 1 9 MET C C 6.508 -4.607 0.917 1.00 . A A . 9 MET C 1 1 13 1594 1 1 9 MET CA C 6.676 -4.657 2.439 1.00 . A A . 9 MET CA 1 1 13 1595 1 1 9 MET CB C 5.311 -4.678 3.130 1.00 . A A . 9 MET CB 1 1 13 1596 1 1 9 MET CE C 5.928 -8.122 5.263 1.00 . A A . 9 MET CE 1 1 13 1597 1 1 9 MET CG C 5.352 -5.643 4.317 1.00 . A A . 9 MET CG 1 1 13 1598 1 1 9 MET H H 6.958 -2.536 2.685 1.00 . A A . 9 MET H 1 1 13 1599 1 1 9 MET HA H 7.250 -5.524 2.728 1.00 . A A . 9 MET HA 1 1 13 1600 1 1 9 MET HB2 H 5.071 -3.684 3.483 1.00 . A A . 9 MET HB2 1 1 13 1601 1 1 9 MET HB3 H 4.557 -5.003 2.430 1.00 . A A . 9 MET HB3 1 1 13 1602 1 1 9 MET HE1 H 6.387 -7.379 5.902 1.00 . A A . 9 MET HE1 1 1 13 1603 1 1 9 MET HE2 H 6.638 -8.907 5.062 1.00 . A A . 9 MET HE2 1 1 13 1604 1 1 9 MET HE3 H 5.060 -8.540 5.754 1.00 . A A . 9 MET HE3 1 1 13 1605 1 1 9 MET HG2 H 6.227 -5.439 4.917 1.00 . A A . 9 MET HG2 1 1 13 1606 1 1 9 MET HG3 H 4.464 -5.513 4.918 1.00 . A A . 9 MET HG3 1 1 13 1607 1 1 9 MET N N 7.331 -3.410 2.926 1.00 . A A . 9 MET N 1 1 13 1608 1 1 9 MET O O 5.428 -4.370 0.416 1.00 . A A . 9 MET O 1 1 13 1609 1 1 9 MET SD S 5.423 -7.346 3.708 1.00 . A A . 9 MET SD 1 1 13 1610 1 1 10 NH2 HN1 H 8.418 -5.016 0.556 1.00 . A A . 10 NH2 HN1 1 1 13 1611 1 1 10 NH2 HN2 H 7.450 -4.794 -0.820 1.00 . A A . 10 NH2 HN2 1 1 13 1612 1 1 10 NH2 N N 7.545 -4.823 0.155 1.00 . A A . 10 NH2 N 1 1 14 1613 1 1 1 SER C C 5.702 3.145 -3.703 1.00 . A A . 1 SER C 1 1 14 1614 1 1 1 SER CA C 5.103 2.928 -5.095 1.00 . A A . 1 SER CA 1 1 14 1615 1 1 1 SER CB C 3.713 3.554 -5.183 1.00 . A A . 1 SER CB 1 1 14 1616 1 1 1 SER H1 H 5.786 0.963 -5.214 1.00 . A A . 1 SER H1 1 1 14 1617 1 1 1 SER H2 H 4.547 1.335 -6.316 1.00 . A A . 1 SER H2 1 1 14 1618 1 1 1 SER H3 H 4.185 1.106 -4.673 1.00 . A A . 1 SER H3 1 1 14 1619 1 1 1 SER HA H 5.746 3.349 -5.851 1.00 . A A . 1 SER HA 1 1 14 1620 1 1 1 SER HB2 H 3.155 3.325 -4.290 1.00 . A A . 1 SER HB2 1 1 14 1621 1 1 1 SER HB3 H 3.808 4.628 -5.279 1.00 . A A . 1 SER HB3 1 1 14 1622 1 1 1 SER HG H 2.184 2.679 -6.011 1.00 . A A . 1 SER HG 1 1 14 1623 1 1 1 SER N N 4.889 1.473 -5.344 1.00 . A A . 1 SER N 1 1 14 1624 1 1 1 SER O O 6.014 2.204 -2.998 1.00 . A A . 1 SER O 1 1 14 1625 1 1 1 SER OG O 3.030 3.024 -6.311 1.00 . A A . 1 SER OG 1 1 14 1626 1 1 2 VAL C C 5.573 4.033 -0.861 1.00 . A A . 2 VAL C 1 1 14 1627 1 1 2 VAL CA C 6.445 4.659 -1.955 1.00 . A A . 2 VAL CA 1 1 14 1628 1 1 2 VAL CB C 6.455 6.185 -1.835 1.00 . A A . 2 VAL CB 1 1 14 1629 1 1 2 VAL CG1 C 5.023 6.722 -1.924 1.00 . A A . 2 VAL CG1 1 1 14 1630 1 1 2 VAL CG2 C 7.066 6.587 -0.490 1.00 . A A . 2 VAL CG2 1 1 14 1631 1 1 2 VAL H H 5.608 5.120 -3.889 1.00 . A A . 2 VAL H 1 1 14 1632 1 1 2 VAL HA H 7.452 4.280 -1.894 1.00 . A A . 2 VAL HA 1 1 14 1633 1 1 2 VAL HB H 7.043 6.602 -2.638 1.00 . A A . 2 VAL HB 1 1 14 1634 1 1 2 VAL HG11 H 5.047 7.764 -2.206 1.00 . A A . 2 VAL HG11 1 1 14 1635 1 1 2 VAL HG12 H 4.540 6.619 -0.963 1.00 . A A . 2 VAL HG12 1 1 14 1636 1 1 2 VAL HG13 H 4.473 6.161 -2.664 1.00 . A A . 2 VAL HG13 1 1 14 1637 1 1 2 VAL HG21 H 6.673 5.950 0.289 1.00 . A A . 2 VAL HG21 1 1 14 1638 1 1 2 VAL HG22 H 6.816 7.615 -0.274 1.00 . A A . 2 VAL HG22 1 1 14 1639 1 1 2 VAL HG23 H 8.139 6.479 -0.536 1.00 . A A . 2 VAL HG23 1 1 14 1640 1 1 2 VAL N N 5.865 4.378 -3.302 1.00 . A A . 2 VAL N 1 1 14 1641 1 1 2 VAL O O 6.067 3.558 0.142 1.00 . A A . 2 VAL O 1 1 14 1642 1 1 3 ALA C C 3.727 1.962 0.204 1.00 . A A . 3 ALA C 1 1 14 1643 1 1 3 ALA CA C 3.375 3.435 -0.021 1.00 . A A . 3 ALA CA 1 1 14 1644 1 1 3 ALA CB C 1.969 3.565 -0.606 1.00 . A A . 3 ALA CB 1 1 14 1645 1 1 3 ALA H H 3.904 4.419 -1.867 1.00 . A A . 3 ALA H 1 1 14 1646 1 1 3 ALA HA H 3.442 3.985 0.904 1.00 . A A . 3 ALA HA 1 1 14 1647 1 1 3 ALA HB1 H 1.847 2.858 -1.414 1.00 . A A . 3 ALA HB1 1 1 14 1648 1 1 3 ALA HB2 H 1.825 4.568 -0.980 1.00 . A A . 3 ALA HB2 1 1 14 1649 1 1 3 ALA HB3 H 1.238 3.360 0.163 1.00 . A A . 3 ALA HB3 1 1 14 1650 1 1 3 ALA N N 4.280 4.031 -1.049 1.00 . A A . 3 ALA N 1 1 14 1651 1 1 3 ALA O O 3.459 1.404 1.250 1.00 . A A . 3 ALA O 1 1 14 1652 1 1 4 GLY C C 5.923 -0.219 0.299 1.00 . A A . 4 GLY C 1 1 14 1653 1 1 4 GLY CA C 4.699 -0.106 -0.611 1.00 . A A . 4 GLY CA 1 1 14 1654 1 1 4 GLY H H 4.535 1.799 -1.604 1.00 . A A . 4 GLY H 1 1 14 1655 1 1 4 GLY HA2 H 3.871 -0.646 -0.172 1.00 . A A . 4 GLY HA2 1 1 14 1656 1 1 4 GLY HA3 H 4.933 -0.526 -1.577 1.00 . A A . 4 GLY HA3 1 1 14 1657 1 1 4 GLY N N 4.328 1.329 -0.768 1.00 . A A . 4 GLY N 1 1 14 1658 1 1 4 GLY O O 6.050 -1.149 1.070 1.00 . A A . 4 GLY O 1 1 14 1659 1 1 5 ARG C C 7.826 1.487 2.357 1.00 . A A . 5 ARG C 1 1 14 1660 1 1 5 ARG CA C 8.040 0.671 1.077 1.00 . A A . 5 ARG CA 1 1 14 1661 1 1 5 ARG CB C 9.155 1.284 0.231 1.00 . A A . 5 ARG CB 1 1 14 1662 1 1 5 ARG CD C 9.856 1.114 -2.166 1.00 . A A . 5 ARG CD 1 1 14 1663 1 1 5 ARG CG C 9.531 0.320 -0.898 1.00 . A A . 5 ARG CG 1 1 14 1664 1 1 5 ARG CZ C 11.537 -0.432 -3.020 1.00 . A A . 5 ARG CZ 1 1 14 1665 1 1 5 ARG H H 6.699 1.464 -0.413 1.00 . A A . 5 ARG H 1 1 14 1666 1 1 5 ARG HA H 8.284 -0.351 1.320 1.00 . A A . 5 ARG HA 1 1 14 1667 1 1 5 ARG HB2 H 8.813 2.218 -0.190 1.00 . A A . 5 ARG HB2 1 1 14 1668 1 1 5 ARG HB3 H 10.020 1.462 0.852 1.00 . A A . 5 ARG HB3 1 1 14 1669 1 1 5 ARG HD2 H 9.187 0.832 -2.967 1.00 . A A . 5 ARG HD2 1 1 14 1670 1 1 5 ARG HD3 H 9.792 2.174 -1.975 1.00 . A A . 5 ARG HD3 1 1 14 1671 1 1 5 ARG HE H 11.985 1.378 -2.333 1.00 . A A . 5 ARG HE 1 1 14 1672 1 1 5 ARG HG2 H 10.395 -0.259 -0.602 1.00 . A A . 5 ARG HG2 1 1 14 1673 1 1 5 ARG HG3 H 8.703 -0.344 -1.095 1.00 . A A . 5 ARG HG3 1 1 14 1674 1 1 5 ARG HH11 H 9.639 -1.082 -3.033 1.00 . A A . 5 ARG HH11 1 1 14 1675 1 1 5 ARG HH12 H 10.814 -2.192 -3.646 1.00 . A A . 5 ARG HH12 1 1 14 1676 1 1 5 ARG HH21 H 13.504 -0.074 -3.134 1.00 . A A . 5 ARG HH21 1 1 14 1677 1 1 5 ARG HH22 H 12.992 -1.626 -3.704 1.00 . A A . 5 ARG HH22 1 1 14 1678 1 1 5 ARG N N 6.823 0.723 0.215 1.00 . A A . 5 ARG N 1 1 14 1679 1 1 5 ARG NE N 11.262 0.740 -2.502 1.00 . A A . 5 ARG NE 1 1 14 1680 1 1 5 ARG NH1 N 10.588 -1.302 -3.251 1.00 . A A . 5 ARG NH1 1 1 14 1681 1 1 5 ARG NH2 N 12.774 -0.734 -3.308 1.00 . A A . 5 ARG NH2 1 1 14 1682 1 1 5 ARG O O 8.640 1.456 3.260 1.00 . A A . 5 ARG O 1 1 14 1683 1 1 6 ALA C C 6.589 2.132 4.919 1.00 . A A . 6 ALA C 1 1 14 1684 1 1 6 ALA CA C 6.478 3.022 3.678 1.00 . A A . 6 ALA CA 1 1 14 1685 1 1 6 ALA CB C 5.050 3.545 3.518 1.00 . A A . 6 ALA CB 1 1 14 1686 1 1 6 ALA H H 6.092 2.222 1.712 1.00 . A A . 6 ALA H 1 1 14 1687 1 1 6 ALA HA H 7.170 3.847 3.741 1.00 . A A . 6 ALA HA 1 1 14 1688 1 1 6 ALA HB1 H 5.073 4.511 3.037 1.00 . A A . 6 ALA HB1 1 1 14 1689 1 1 6 ALA HB2 H 4.589 3.637 4.491 1.00 . A A . 6 ALA HB2 1 1 14 1690 1 1 6 ALA HB3 H 4.479 2.855 2.913 1.00 . A A . 6 ALA HB3 1 1 14 1691 1 1 6 ALA N N 6.738 2.212 2.449 1.00 . A A . 6 ALA N 1 1 14 1692 1 1 6 ALA O O 7.055 2.553 5.960 1.00 . A A . 6 ALA O 1 1 14 1693 1 1 7 GLN C C 7.394 -1.043 5.733 1.00 . A A . 7 GLN C 1 1 14 1694 1 1 7 GLN CA C 6.264 -0.033 5.964 1.00 . A A . 7 GLN CA 1 1 14 1695 1 1 7 GLN CB C 4.906 -0.741 6.017 1.00 . A A . 7 GLN CB 1 1 14 1696 1 1 7 GLN CD C 3.369 -1.057 4.064 1.00 . A A . 7 GLN CD 1 1 14 1697 1 1 7 GLN CG C 4.672 -1.523 4.718 1.00 . A A . 7 GLN CG 1 1 14 1698 1 1 7 GLN H H 5.813 0.583 3.950 1.00 . A A . 7 GLN H 1 1 14 1699 1 1 7 GLN HA H 6.430 0.516 6.877 1.00 . A A . 7 GLN HA 1 1 14 1700 1 1 7 GLN HB2 H 4.890 -1.422 6.855 1.00 . A A . 7 GLN HB2 1 1 14 1701 1 1 7 GLN HB3 H 4.124 -0.005 6.138 1.00 . A A . 7 GLN HB3 1 1 14 1702 1 1 7 GLN HE21 H 4.224 -0.648 2.321 1.00 . A A . 7 GLN HE21 1 1 14 1703 1 1 7 GLN HE22 H 2.555 -0.353 2.397 1.00 . A A . 7 GLN HE22 1 1 14 1704 1 1 7 GLN HG2 H 5.496 -1.352 4.040 1.00 . A A . 7 GLN HG2 1 1 14 1705 1 1 7 GLN HG3 H 4.602 -2.577 4.941 1.00 . A A . 7 GLN HG3 1 1 14 1706 1 1 7 GLN N N 6.174 0.899 4.805 1.00 . A A . 7 GLN N 1 1 14 1707 1 1 7 GLN NE2 N 3.384 -0.653 2.824 1.00 . A A . 7 GLN NE2 1 1 14 1708 1 1 7 GLN O O 7.899 -1.647 6.660 1.00 . A A . 7 GLN O 1 1 14 1709 1 1 7 GLN OE1 O 2.326 -1.063 4.689 1.00 . A A . 7 GLN OE1 1 1 14 1710 1 1 8 GLY C C 8.286 -3.540 3.807 1.00 . A A . 8 GLY C 1 1 14 1711 1 1 8 GLY CA C 8.889 -2.192 4.204 1.00 . A A . 8 GLY CA 1 1 14 1712 1 1 8 GLY H H 7.372 -0.729 3.770 1.00 . A A . 8 GLY H 1 1 14 1713 1 1 8 GLY HA2 H 9.492 -1.812 3.391 1.00 . A A . 8 GLY HA2 1 1 14 1714 1 1 8 GLY HA3 H 9.505 -2.321 5.081 1.00 . A A . 8 GLY HA3 1 1 14 1715 1 1 8 GLY N N 7.793 -1.227 4.502 1.00 . A A . 8 GLY N 1 1 14 1716 1 1 8 GLY O O 8.638 -4.571 4.347 1.00 . A A . 8 GLY O 1 1 14 1717 1 1 9 MET C C 7.685 -5.577 1.491 1.00 . A A . 9 MET C 1 1 14 1718 1 1 9 MET CA C 6.746 -4.818 2.433 1.00 . A A . 9 MET CA 1 1 14 1719 1 1 9 MET CB C 5.471 -4.403 1.699 1.00 . A A . 9 MET CB 1 1 14 1720 1 1 9 MET CE C 2.600 -6.143 1.147 1.00 . A A . 9 MET CE 1 1 14 1721 1 1 9 MET CG C 4.264 -4.583 2.622 1.00 . A A . 9 MET CG 1 1 14 1722 1 1 9 MET H H 7.111 -2.692 2.450 1.00 . A A . 9 MET H 1 1 14 1723 1 1 9 MET HA H 6.499 -5.426 3.288 1.00 . A A . 9 MET HA 1 1 14 1724 1 1 9 MET HB2 H 5.546 -3.365 1.404 1.00 . A A . 9 MET HB2 1 1 14 1725 1 1 9 MET HB3 H 5.344 -5.018 0.820 1.00 . A A . 9 MET HB3 1 1 14 1726 1 1 9 MET HE1 H 3.474 -6.688 1.477 1.00 . A A . 9 MET HE1 1 1 14 1727 1 1 9 MET HE2 H 2.530 -6.195 0.073 1.00 . A A . 9 MET HE2 1 1 14 1728 1 1 9 MET HE3 H 1.712 -6.577 1.586 1.00 . A A . 9 MET HE3 1 1 14 1729 1 1 9 MET HG2 H 4.300 -5.565 3.073 1.00 . A A . 9 MET HG2 1 1 14 1730 1 1 9 MET HG3 H 4.289 -3.832 3.398 1.00 . A A . 9 MET HG3 1 1 14 1731 1 1 9 MET N N 7.378 -3.538 2.868 1.00 . A A . 9 MET N 1 1 14 1732 1 1 9 MET O O 7.707 -6.791 1.478 1.00 . A A . 9 MET O 1 1 14 1733 1 1 9 MET SD S 2.738 -4.413 1.663 1.00 . A A . 9 MET SD 1 1 14 1734 1 1 10 NH2 HN1 H 8.453 -3.924 0.701 1.00 . A A . 10 NH2 HN1 1 1 14 1735 1 1 10 NH2 HN2 H 9.074 -5.379 0.085 1.00 . A A . 10 NH2 HN2 1 1 14 1736 1 1 10 NH2 N N 8.469 -4.904 0.693 1.00 . A A . 10 NH2 N 1 1 15 1737 1 1 1 SER C C 6.063 2.402 -3.988 1.00 . A A . 1 SER C 1 1 15 1738 1 1 1 SER CA C 5.558 1.622 -5.205 1.00 . A A . 1 SER CA 1 1 15 1739 1 1 1 SER CB C 4.034 1.506 -5.174 1.00 . A A . 1 SER CB 1 1 15 1740 1 1 1 SER H1 H 7.080 0.215 -4.998 1.00 . A A . 1 SER H1 1 1 15 1741 1 1 1 SER H2 H 5.840 -0.256 -6.061 1.00 . A A . 1 SER H2 1 1 15 1742 1 1 1 SER H3 H 5.583 -0.291 -4.382 1.00 . A A . 1 SER H3 1 1 15 1743 1 1 1 SER HA H 5.873 2.102 -6.118 1.00 . A A . 1 SER HA 1 1 15 1744 1 1 1 SER HB2 H 3.746 0.700 -4.522 1.00 . A A . 1 SER HB2 1 1 15 1745 1 1 1 SER HB3 H 3.612 2.433 -4.806 1.00 . A A . 1 SER HB3 1 1 15 1746 1 1 1 SER HG H 3.464 2.080 -6.944 1.00 . A A . 1 SER HG 1 1 15 1747 1 1 1 SER N N 6.053 0.217 -5.158 1.00 . A A . 1 SER N 1 1 15 1748 1 1 1 SER O O 6.882 1.922 -3.229 1.00 . A A . 1 SER O 1 1 15 1749 1 1 1 SER OG O 3.557 1.241 -6.486 1.00 . A A . 1 SER OG 1 1 15 1750 1 1 2 VAL C C 5.452 3.838 -1.334 1.00 . A A . 2 VAL C 1 1 15 1751 1 1 2 VAL CA C 6.031 4.413 -2.628 1.00 . A A . 2 VAL CA 1 1 15 1752 1 1 2 VAL CB C 5.486 5.819 -2.883 1.00 . A A . 2 VAL CB 1 1 15 1753 1 1 2 VAL CG1 C 5.906 6.745 -1.741 1.00 . A A . 2 VAL CG1 1 1 15 1754 1 1 2 VAL CG2 C 6.049 6.352 -4.203 1.00 . A A . 2 VAL CG2 1 1 15 1755 1 1 2 VAL H H 4.919 3.967 -4.422 1.00 . A A . 2 VAL H 1 1 15 1756 1 1 2 VAL HA H 7.107 4.436 -2.581 1.00 . A A . 2 VAL HA 1 1 15 1757 1 1 2 VAL HB H 4.407 5.781 -2.939 1.00 . A A . 2 VAL HB 1 1 15 1758 1 1 2 VAL HG11 H 5.656 6.286 -0.795 1.00 . A A . 2 VAL HG11 1 1 15 1759 1 1 2 VAL HG12 H 5.385 7.687 -1.832 1.00 . A A . 2 VAL HG12 1 1 15 1760 1 1 2 VAL HG13 H 6.970 6.917 -1.788 1.00 . A A . 2 VAL HG13 1 1 15 1761 1 1 2 VAL HG21 H 5.714 7.367 -4.353 1.00 . A A . 2 VAL HG21 1 1 15 1762 1 1 2 VAL HG22 H 5.703 5.734 -5.018 1.00 . A A . 2 VAL HG22 1 1 15 1763 1 1 2 VAL HG23 H 7.128 6.330 -4.168 1.00 . A A . 2 VAL HG23 1 1 15 1764 1 1 2 VAL N N 5.579 3.601 -3.798 1.00 . A A . 2 VAL N 1 1 15 1765 1 1 2 VAL O O 6.178 3.451 -0.438 1.00 . A A . 2 VAL O 1 1 15 1766 1 1 3 ALA C C 3.960 1.761 0.207 1.00 . A A . 3 ALA C 1 1 15 1767 1 1 3 ALA CA C 3.525 3.217 0.003 1.00 . A A . 3 ALA CA 1 1 15 1768 1 1 3 ALA CB C 2.017 3.296 -0.245 1.00 . A A . 3 ALA CB 1 1 15 1769 1 1 3 ALA H H 3.588 4.087 -1.970 1.00 . A A . 3 ALA H 1 1 15 1770 1 1 3 ALA HA H 3.790 3.814 0.861 1.00 . A A . 3 ALA HA 1 1 15 1771 1 1 3 ALA HB1 H 1.514 3.535 0.681 1.00 . A A . 3 ALA HB1 1 1 15 1772 1 1 3 ALA HB2 H 1.662 2.346 -0.614 1.00 . A A . 3 ALA HB2 1 1 15 1773 1 1 3 ALA HB3 H 1.812 4.065 -0.974 1.00 . A A . 3 ALA HB3 1 1 15 1774 1 1 3 ALA N N 4.152 3.773 -1.233 1.00 . A A . 3 ALA N 1 1 15 1775 1 1 3 ALA O O 3.833 1.214 1.285 1.00 . A A . 3 ALA O 1 1 15 1776 1 1 4 GLY C C 6.099 -0.360 0.280 1.00 . A A . 4 GLY C 1 1 15 1777 1 1 4 GLY CA C 4.912 -0.286 -0.679 1.00 . A A . 4 GLY CA 1 1 15 1778 1 1 4 GLY H H 4.565 1.590 -1.680 1.00 . A A . 4 GLY H 1 1 15 1779 1 1 4 GLY HA2 H 4.096 -0.879 -0.292 1.00 . A A . 4 GLY HA2 1 1 15 1780 1 1 4 GLY HA3 H 5.210 -0.667 -1.644 1.00 . A A . 4 GLY HA3 1 1 15 1781 1 1 4 GLY N N 4.471 1.132 -0.819 1.00 . A A . 4 GLY N 1 1 15 1782 1 1 4 GLY O O 6.245 -1.306 1.030 1.00 . A A . 4 GLY O 1 1 15 1783 1 1 5 ARG C C 7.870 1.501 2.407 1.00 . A A . 5 ARG C 1 1 15 1784 1 1 5 ARG CA C 8.127 0.619 1.181 1.00 . A A . 5 ARG CA 1 1 15 1785 1 1 5 ARG CB C 9.284 1.177 0.353 1.00 . A A . 5 ARG CB 1 1 15 1786 1 1 5 ARG CD C 11.049 0.550 -1.301 1.00 . A A . 5 ARG CD 1 1 15 1787 1 1 5 ARG CG C 9.700 0.148 -0.701 1.00 . A A . 5 ARG CG 1 1 15 1788 1 1 5 ARG CZ C 13.279 0.774 -0.344 1.00 . A A . 5 ARG CZ 1 1 15 1789 1 1 5 ARG H H 6.812 1.386 -0.345 1.00 . A A . 5 ARG H 1 1 15 1790 1 1 5 ARG HA H 8.350 -0.392 1.486 1.00 . A A . 5 ARG HA 1 1 15 1791 1 1 5 ARG HB2 H 8.969 2.088 -0.134 1.00 . A A . 5 ARG HB2 1 1 15 1792 1 1 5 ARG HB3 H 10.122 1.385 1.001 1.00 . A A . 5 ARG HB3 1 1 15 1793 1 1 5 ARG HD2 H 11.322 -0.130 -2.097 1.00 . A A . 5 ARG HD2 1 1 15 1794 1 1 5 ARG HD3 H 11.011 1.564 -1.668 1.00 . A A . 5 ARG HD3 1 1 15 1795 1 1 5 ARG HE H 11.715 0.142 0.707 1.00 . A A . 5 ARG HE 1 1 15 1796 1 1 5 ARG HG2 H 9.786 -0.825 -0.238 1.00 . A A . 5 ARG HG2 1 1 15 1797 1 1 5 ARG HG3 H 8.956 0.111 -1.482 1.00 . A A . 5 ARG HG3 1 1 15 1798 1 1 5 ARG HH11 H 13.080 1.266 -2.279 1.00 . A A . 5 ARG HH11 1 1 15 1799 1 1 5 ARG HH12 H 14.673 1.434 -1.624 1.00 . A A . 5 ARG HH12 1 1 15 1800 1 1 5 ARG HH21 H 13.789 0.362 1.548 1.00 . A A . 5 ARG HH21 1 1 15 1801 1 1 5 ARG HH22 H 15.074 0.925 0.532 1.00 . A A . 5 ARG HH22 1 1 15 1802 1 1 5 ARG N N 6.949 0.633 0.266 1.00 . A A . 5 ARG N 1 1 15 1803 1 1 5 ARG NE N 12.020 0.452 -0.172 1.00 . A A . 5 ARG NE 1 1 15 1804 1 1 5 ARG NH1 N 13.711 1.191 -1.507 1.00 . A A . 5 ARG NH1 1 1 15 1805 1 1 5 ARG NH2 N 14.112 0.680 0.657 1.00 . A A . 5 ARG NH2 1 1 15 1806 1 1 5 ARG O O 8.685 1.572 3.306 1.00 . A A . 5 ARG O 1 1 15 1807 1 1 6 ALA C C 6.608 2.225 4.929 1.00 . A A . 6 ALA C 1 1 15 1808 1 1 6 ALA CA C 6.444 3.036 3.642 1.00 . A A . 6 ALA CA 1 1 15 1809 1 1 6 ALA CB C 4.990 3.472 3.461 1.00 . A A . 6 ALA CB 1 1 15 1810 1 1 6 ALA H H 6.094 2.097 1.730 1.00 . A A . 6 ALA H 1 1 15 1811 1 1 6 ALA HA H 7.092 3.898 3.652 1.00 . A A . 6 ALA HA 1 1 15 1812 1 1 6 ALA HB1 H 4.526 3.591 4.428 1.00 . A A . 6 ALA HB1 1 1 15 1813 1 1 6 ALA HB2 H 4.456 2.721 2.896 1.00 . A A . 6 ALA HB2 1 1 15 1814 1 1 6 ALA HB3 H 4.958 4.411 2.929 1.00 . A A . 6 ALA HB3 1 1 15 1815 1 1 6 ALA N N 6.743 2.169 2.460 1.00 . A A . 6 ALA N 1 1 15 1816 1 1 6 ALA O O 7.065 2.723 5.939 1.00 . A A . 6 ALA O 1 1 15 1817 1 1 7 GLN C C 7.460 -0.969 5.832 1.00 . A A . 7 GLN C 1 1 15 1818 1 1 7 GLN CA C 6.394 0.103 6.090 1.00 . A A . 7 GLN CA 1 1 15 1819 1 1 7 GLN CB C 5.018 -0.537 6.295 1.00 . A A . 7 GLN CB 1 1 15 1820 1 1 7 GLN CD C 3.656 -2.435 5.406 1.00 . A A . 7 GLN CD 1 1 15 1821 1 1 7 GLN CG C 4.600 -1.291 5.029 1.00 . A A . 7 GLN CG 1 1 15 1822 1 1 7 GLN H H 5.897 0.594 4.054 1.00 . A A . 7 GLN H 1 1 15 1823 1 1 7 GLN HA H 6.657 0.697 6.951 1.00 . A A . 7 GLN HA 1 1 15 1824 1 1 7 GLN HB2 H 5.063 -1.227 7.126 1.00 . A A . 7 GLN HB2 1 1 15 1825 1 1 7 GLN HB3 H 4.292 0.234 6.508 1.00 . A A . 7 GLN HB3 1 1 15 1826 1 1 7 GLN HE21 H 5.055 -3.460 6.373 1.00 . A A . 7 GLN HE21 1 1 15 1827 1 1 7 GLN HE22 H 3.517 -4.179 6.344 1.00 . A A . 7 GLN HE22 1 1 15 1828 1 1 7 GLN HG2 H 4.094 -0.613 4.357 1.00 . A A . 7 GLN HG2 1 1 15 1829 1 1 7 GLN HG3 H 5.475 -1.694 4.543 1.00 . A A . 7 GLN HG3 1 1 15 1830 1 1 7 GLN N N 6.251 0.970 4.886 1.00 . A A . 7 GLN N 1 1 15 1831 1 1 7 GLN NE2 N 4.114 -3.442 6.099 1.00 . A A . 7 GLN NE2 1 1 15 1832 1 1 7 GLN O O 8.004 -1.550 6.751 1.00 . A A . 7 GLN O 1 1 15 1833 1 1 7 GLN OE1 O 2.489 -2.413 5.066 1.00 . A A . 7 GLN OE1 1 1 15 1834 1 1 8 GLY C C 8.114 -3.512 3.716 1.00 . A A . 8 GLY C 1 1 15 1835 1 1 8 GLY CA C 8.795 -2.256 4.262 1.00 . A A . 8 GLY CA 1 1 15 1836 1 1 8 GLY H H 7.315 -0.747 3.860 1.00 . A A . 8 GLY H 1 1 15 1837 1 1 8 GLY HA2 H 9.473 -1.860 3.517 1.00 . A A . 8 GLY HA2 1 1 15 1838 1 1 8 GLY HA3 H 9.347 -2.507 5.153 1.00 . A A . 8 GLY HA3 1 1 15 1839 1 1 8 GLY N N 7.764 -1.229 4.585 1.00 . A A . 8 GLY N 1 1 15 1840 1 1 8 GLY O O 8.398 -4.616 4.138 1.00 . A A . 8 GLY O 1 1 15 1841 1 1 9 MET C C 6.896 -4.708 0.729 1.00 . A A . 9 MET C 1 1 15 1842 1 1 9 MET CA C 6.516 -4.537 2.203 1.00 . A A . 9 MET CA 1 1 15 1843 1 1 9 MET CB C 5.026 -4.221 2.339 1.00 . A A . 9 MET CB 1 1 15 1844 1 1 9 MET CE C 2.166 -6.390 3.189 1.00 . A A . 9 MET CE 1 1 15 1845 1 1 9 MET CG C 4.453 -4.970 3.544 1.00 . A A . 9 MET CG 1 1 15 1846 1 1 9 MET H H 7.006 -2.453 2.454 1.00 . A A . 9 MET H 1 1 15 1847 1 1 9 MET HA H 6.759 -5.427 2.761 1.00 . A A . 9 MET HA 1 1 15 1848 1 1 9 MET HB2 H 4.895 -3.159 2.479 1.00 . A A . 9 MET HB2 1 1 15 1849 1 1 9 MET HB3 H 4.508 -4.534 1.444 1.00 . A A . 9 MET HB3 1 1 15 1850 1 1 9 MET HE1 H 1.905 -5.404 2.830 1.00 . A A . 9 MET HE1 1 1 15 1851 1 1 9 MET HE2 H 1.877 -6.480 4.224 1.00 . A A . 9 MET HE2 1 1 15 1852 1 1 9 MET HE3 H 1.650 -7.140 2.607 1.00 . A A . 9 MET HE3 1 1 15 1853 1 1 9 MET HG2 H 5.204 -5.040 4.316 1.00 . A A . 9 MET HG2 1 1 15 1854 1 1 9 MET HG3 H 3.594 -4.437 3.923 1.00 . A A . 9 MET HG3 1 1 15 1855 1 1 9 MET N N 7.218 -3.352 2.779 1.00 . A A . 9 MET N 1 1 15 1856 1 1 9 MET O O 7.858 -4.132 0.261 1.00 . A A . 9 MET O 1 1 15 1857 1 1 9 MET SD S 3.952 -6.634 3.037 1.00 . A A . 9 MET SD 1 1 15 1858 1 1 10 NH2 HN1 H 5.394 -5.950 0.346 1.00 . A A . 10 NH2 HN1 1 1 15 1859 1 1 10 NH2 HN2 H 6.403 -5.602 -0.974 1.00 . A A . 10 NH2 HN2 1 1 15 1860 1 1 10 NH2 N N 6.171 -5.484 -0.029 1.00 . A A . 10 NH2 N 1 1 16 1861 1 1 1 SER C C 5.000 3.143 -3.913 1.00 . A A . 1 SER C 1 1 16 1862 1 1 1 SER CA C 4.180 2.711 -5.133 1.00 . A A . 1 SER CA 1 1 16 1863 1 1 1 SER CB C 2.939 1.933 -4.698 1.00 . A A . 1 SER CB 1 1 16 1864 1 1 1 SER H1 H 4.370 1.411 -6.749 1.00 . A A . 1 SER H1 1 1 16 1865 1 1 1 SER H2 H 5.268 0.953 -5.381 1.00 . A A . 1 SER H2 1 1 16 1866 1 1 1 SER H3 H 5.798 2.238 -6.358 1.00 . A A . 1 SER H3 1 1 16 1867 1 1 1 SER HA H 3.890 3.572 -5.715 1.00 . A A . 1 SER HA 1 1 16 1868 1 1 1 SER HB2 H 3.222 1.159 -4.004 1.00 . A A . 1 SER HB2 1 1 16 1869 1 1 1 SER HB3 H 2.243 2.607 -4.217 1.00 . A A . 1 SER HB3 1 1 16 1870 1 1 1 SER HG H 1.440 1.681 -5.912 1.00 . A A . 1 SER HG 1 1 16 1871 1 1 1 SER N N 4.963 1.756 -5.969 1.00 . A A . 1 SER N 1 1 16 1872 1 1 1 SER O O 5.735 2.362 -3.340 1.00 . A A . 1 SER O 1 1 16 1873 1 1 1 SER OG O 2.335 1.340 -5.840 1.00 . A A . 1 SER OG 1 1 16 1874 1 1 2 VAL C C 5.237 4.092 -1.079 1.00 . A A . 2 VAL C 1 1 16 1875 1 1 2 VAL CA C 5.650 4.867 -2.332 1.00 . A A . 2 VAL CA 1 1 16 1876 1 1 2 VAL CB C 5.279 6.344 -2.195 1.00 . A A . 2 VAL CB 1 1 16 1877 1 1 2 VAL CG1 C 5.982 6.939 -0.973 1.00 . A A . 2 VAL CG1 1 1 16 1878 1 1 2 VAL CG2 C 5.721 7.093 -3.454 1.00 . A A . 2 VAL CG2 1 1 16 1879 1 1 2 VAL H H 4.280 4.992 -3.993 1.00 . A A . 2 VAL H 1 1 16 1880 1 1 2 VAL HA H 6.709 4.767 -2.505 1.00 . A A . 2 VAL HA 1 1 16 1881 1 1 2 VAL HB H 4.210 6.436 -2.076 1.00 . A A . 2 VAL HB 1 1 16 1882 1 1 2 VAL HG11 H 5.722 6.366 -0.095 1.00 . A A . 2 VAL HG11 1 1 16 1883 1 1 2 VAL HG12 H 5.668 7.963 -0.841 1.00 . A A . 2 VAL HG12 1 1 16 1884 1 1 2 VAL HG13 H 7.052 6.905 -1.121 1.00 . A A . 2 VAL HG13 1 1 16 1885 1 1 2 VAL HG21 H 6.013 8.098 -3.190 1.00 . A A . 2 VAL HG21 1 1 16 1886 1 1 2 VAL HG22 H 4.903 7.127 -4.158 1.00 . A A . 2 VAL HG22 1 1 16 1887 1 1 2 VAL HG23 H 6.560 6.580 -3.902 1.00 . A A . 2 VAL HG23 1 1 16 1888 1 1 2 VAL N N 4.878 4.380 -3.514 1.00 . A A . 2 VAL N 1 1 16 1889 1 1 2 VAL O O 6.067 3.626 -0.323 1.00 . A A . 2 VAL O 1 1 16 1890 1 1 3 ALA C C 3.997 1.755 0.307 1.00 . A A . 3 ALA C 1 1 16 1891 1 1 3 ALA CA C 3.487 3.200 0.347 1.00 . A A . 3 ALA CA 1 1 16 1892 1 1 3 ALA CB C 1.960 3.231 0.262 1.00 . A A . 3 ALA CB 1 1 16 1893 1 1 3 ALA H H 3.307 4.332 -1.481 1.00 . A A . 3 ALA H 1 1 16 1894 1 1 3 ALA HA H 3.816 3.691 1.248 1.00 . A A . 3 ALA HA 1 1 16 1895 1 1 3 ALA HB1 H 1.564 2.273 0.565 1.00 . A A . 3 ALA HB1 1 1 16 1896 1 1 3 ALA HB2 H 1.660 3.440 -0.754 1.00 . A A . 3 ALA HB2 1 1 16 1897 1 1 3 ALA HB3 H 1.579 4.002 0.917 1.00 . A A . 3 ALA HB3 1 1 16 1898 1 1 3 ALA N N 3.957 3.949 -0.856 1.00 . A A . 3 ALA N 1 1 16 1899 1 1 3 ALA O O 3.971 1.054 1.299 1.00 . A A . 3 ALA O 1 1 16 1900 1 1 4 GLY C C 6.167 -0.270 0.003 1.00 . A A . 4 GLY C 1 1 16 1901 1 1 4 GLY CA C 4.968 -0.094 -0.929 1.00 . A A . 4 GLY CA 1 1 16 1902 1 1 4 GLY H H 4.471 1.885 -1.621 1.00 . A A . 4 GLY H 1 1 16 1903 1 1 4 GLY HA2 H 4.186 -0.782 -0.643 1.00 . A A . 4 GLY HA2 1 1 16 1904 1 1 4 GLY HA3 H 5.274 -0.296 -1.944 1.00 . A A . 4 GLY HA3 1 1 16 1905 1 1 4 GLY N N 4.459 1.305 -0.830 1.00 . A A . 4 GLY N 1 1 16 1906 1 1 4 GLY O O 6.351 -1.312 0.600 1.00 . A A . 4 GLY O 1 1 16 1907 1 1 5 ARG C C 7.982 1.501 2.278 1.00 . A A . 5 ARG C 1 1 16 1908 1 1 5 ARG CA C 8.168 0.630 1.032 1.00 . A A . 5 ARG CA 1 1 16 1909 1 1 5 ARG CB C 9.350 1.126 0.201 1.00 . A A . 5 ARG CB 1 1 16 1910 1 1 5 ARG CD C 11.394 0.169 -0.880 1.00 . A A . 5 ARG CD 1 1 16 1911 1 1 5 ARG CG C 9.892 -0.025 -0.649 1.00 . A A . 5 ARG CG 1 1 16 1912 1 1 5 ARG CZ C 11.499 -0.836 -3.100 1.00 . A A . 5 ARG CZ 1 1 16 1913 1 1 5 ARG H H 6.814 1.574 -0.356 1.00 . A A . 5 ARG H 1 1 16 1914 1 1 5 ARG HA H 8.327 -0.398 1.314 1.00 . A A . 5 ARG HA 1 1 16 1915 1 1 5 ARG HB2 H 9.027 1.930 -0.443 1.00 . A A . 5 ARG HB2 1 1 16 1916 1 1 5 ARG HB3 H 10.129 1.481 0.860 1.00 . A A . 5 ARG HB3 1 1 16 1917 1 1 5 ARG HD2 H 11.730 1.086 -0.415 1.00 . A A . 5 ARG HD2 1 1 16 1918 1 1 5 ARG HD3 H 11.947 -0.674 -0.495 1.00 . A A . 5 ARG HD3 1 1 16 1919 1 1 5 ARG HE H 11.693 1.118 -2.787 1.00 . A A . 5 ARG HE 1 1 16 1920 1 1 5 ARG HG2 H 9.724 -0.961 -0.135 1.00 . A A . 5 ARG HG2 1 1 16 1921 1 1 5 ARG HG3 H 9.382 -0.041 -1.601 1.00 . A A . 5 ARG HG3 1 1 16 1922 1 1 5 ARG HH11 H 11.188 -2.095 -1.568 1.00 . A A . 5 ARG HH11 1 1 16 1923 1 1 5 ARG HH12 H 11.267 -2.826 -3.135 1.00 . A A . 5 ARG HH12 1 1 16 1924 1 1 5 ARG HH21 H 11.790 0.154 -4.817 1.00 . A A . 5 ARG HH21 1 1 16 1925 1 1 5 ARG HH22 H 11.605 -1.562 -4.963 1.00 . A A . 5 ARG HH22 1 1 16 1926 1 1 5 ARG N N 6.983 0.742 0.134 1.00 . A A . 5 ARG N 1 1 16 1927 1 1 5 ARG NE N 11.550 0.248 -2.361 1.00 . A A . 5 ARG NE 1 1 16 1928 1 1 5 ARG NH1 N 11.302 -2.010 -2.558 1.00 . A A . 5 ARG NH1 1 1 16 1929 1 1 5 ARG NH2 N 11.643 -0.740 -4.394 1.00 . A A . 5 ARG NH2 1 1 16 1930 1 1 5 ARG O O 8.763 1.436 3.207 1.00 . A A . 5 ARG O 1 1 16 1931 1 1 6 ALA C C 6.731 2.306 4.774 1.00 . A A . 6 ALA C 1 1 16 1932 1 1 6 ALA CA C 6.718 3.173 3.513 1.00 . A A . 6 ALA CA 1 1 16 1933 1 1 6 ALA CB C 5.336 3.793 3.301 1.00 . A A . 6 ALA CB 1 1 16 1934 1 1 6 ALA H H 6.326 2.346 1.559 1.00 . A A . 6 ALA H 1 1 16 1935 1 1 6 ALA HA H 7.469 3.945 3.576 1.00 . A A . 6 ALA HA 1 1 16 1936 1 1 6 ALA HB1 H 4.594 3.011 3.259 1.00 . A A . 6 ALA HB1 1 1 16 1937 1 1 6 ALA HB2 H 5.330 4.347 2.374 1.00 . A A . 6 ALA HB2 1 1 16 1938 1 1 6 ALA HB3 H 5.111 4.459 4.121 1.00 . A A . 6 ALA HB3 1 1 16 1939 1 1 6 ALA N N 6.950 2.310 2.314 1.00 . A A . 6 ALA N 1 1 16 1940 1 1 6 ALA O O 7.166 2.723 5.829 1.00 . A A . 6 ALA O 1 1 16 1941 1 1 7 GLN C C 7.328 -0.916 5.618 1.00 . A A . 7 GLN C 1 1 16 1942 1 1 7 GLN CA C 6.265 0.167 5.823 1.00 . A A . 7 GLN CA 1 1 16 1943 1 1 7 GLN CB C 4.864 -0.446 5.841 1.00 . A A . 7 GLN CB 1 1 16 1944 1 1 7 GLN CD C 3.730 -0.851 8.035 1.00 . A A . 7 GLN CD 1 1 16 1945 1 1 7 GLN CG C 4.736 -1.409 7.027 1.00 . A A . 7 GLN CG 1 1 16 1946 1 1 7 GLN H H 5.941 0.778 3.787 1.00 . A A . 7 GLN H 1 1 16 1947 1 1 7 GLN HA H 6.446 0.710 6.738 1.00 . A A . 7 GLN HA 1 1 16 1948 1 1 7 GLN HB2 H 4.129 0.341 5.932 1.00 . A A . 7 GLN HB2 1 1 16 1949 1 1 7 GLN HB3 H 4.697 -0.988 4.922 1.00 . A A . 7 GLN HB3 1 1 16 1950 1 1 7 GLN HE21 H 4.649 0.901 8.202 1.00 . A A . 7 GLN HE21 1 1 16 1951 1 1 7 GLN HE22 H 3.250 0.724 9.146 1.00 . A A . 7 GLN HE22 1 1 16 1952 1 1 7 GLN HG2 H 4.396 -2.370 6.672 1.00 . A A . 7 GLN HG2 1 1 16 1953 1 1 7 GLN HG3 H 5.697 -1.521 7.506 1.00 . A A . 7 GLN HG3 1 1 16 1954 1 1 7 GLN N N 6.272 1.090 4.655 1.00 . A A . 7 GLN N 1 1 16 1955 1 1 7 GLN NE2 N 3.890 0.358 8.499 1.00 . A A . 7 GLN NE2 1 1 16 1956 1 1 7 GLN O O 7.852 -1.474 6.563 1.00 . A A . 7 GLN O 1 1 16 1957 1 1 7 GLN OE1 O 2.788 -1.523 8.405 1.00 . A A . 7 GLN OE1 1 1 16 1958 1 1 8 GLY C C 7.994 -3.544 3.662 1.00 . A A . 8 GLY C 1 1 16 1959 1 1 8 GLY CA C 8.680 -2.252 4.105 1.00 . A A . 8 GLY CA 1 1 16 1960 1 1 8 GLY H H 7.215 -0.745 3.640 1.00 . A A . 8 GLY H 1 1 16 1961 1 1 8 GLY HA2 H 9.337 -1.902 3.320 1.00 . A A . 8 GLY HA2 1 1 16 1962 1 1 8 GLY HA3 H 9.254 -2.440 4.998 1.00 . A A . 8 GLY HA3 1 1 16 1963 1 1 8 GLY N N 7.650 -1.211 4.385 1.00 . A A . 8 GLY N 1 1 16 1964 1 1 8 GLY O O 8.284 -4.615 4.159 1.00 . A A . 8 GLY O 1 1 16 1965 1 1 9 MET C C 6.691 -4.920 0.770 1.00 . A A . 9 MET C 1 1 16 1966 1 1 9 MET CA C 6.377 -4.675 2.248 1.00 . A A . 9 MET CA 1 1 16 1967 1 1 9 MET CB C 4.889 -4.372 2.436 1.00 . A A . 9 MET CB 1 1 16 1968 1 1 9 MET CE C 4.992 -7.410 4.810 1.00 . A A . 9 MET CE 1 1 16 1969 1 1 9 MET CG C 4.408 -4.974 3.758 1.00 . A A . 9 MET CG 1 1 16 1970 1 1 9 MET H H 6.867 -2.578 2.343 1.00 . A A . 9 MET H 1 1 16 1971 1 1 9 MET HA H 6.657 -5.531 2.841 1.00 . A A . 9 MET HA 1 1 16 1972 1 1 9 MET HB2 H 4.739 -3.302 2.451 1.00 . A A . 9 MET HB2 1 1 16 1973 1 1 9 MET HB3 H 4.329 -4.803 1.622 1.00 . A A . 9 MET HB3 1 1 16 1974 1 1 9 MET HE1 H 5.800 -6.727 5.034 1.00 . A A . 9 MET HE1 1 1 16 1975 1 1 9 MET HE2 H 5.401 -8.351 4.482 1.00 . A A . 9 MET HE2 1 1 16 1976 1 1 9 MET HE3 H 4.392 -7.570 5.696 1.00 . A A . 9 MET HE3 1 1 16 1977 1 1 9 MET HG2 H 5.199 -4.912 4.491 1.00 . A A . 9 MET HG2 1 1 16 1978 1 1 9 MET HG3 H 3.547 -4.427 4.111 1.00 . A A . 9 MET HG3 1 1 16 1979 1 1 9 MET N N 7.084 -3.452 2.729 1.00 . A A . 9 MET N 1 1 16 1980 1 1 9 MET O O 6.628 -6.036 0.296 1.00 . A A . 9 MET O 1 1 16 1981 1 1 9 MET SD S 3.958 -6.708 3.502 1.00 . A A . 9 MET SD 1 1 16 1982 1 1 10 NH2 HN1 H 7.083 -3.010 0.395 1.00 . A A . 10 NH2 HN1 1 1 16 1983 1 1 10 NH2 HN2 H 7.235 -4.056 -0.933 1.00 . A A . 10 NH2 HN2 1 1 16 1984 1 1 10 NH2 N N 7.032 -3.911 0.015 1.00 . A A . 10 NH2 N 1 1 17 1985 1 1 1 SER C C 5.742 2.701 -3.792 1.00 . A A . 1 SER C 1 1 17 1986 1 1 1 SER CA C 5.193 2.102 -5.090 1.00 . A A . 1 SER CA 1 1 17 1987 1 1 1 SER CB C 3.731 2.499 -5.288 1.00 . A A . 1 SER CB 1 1 17 1988 1 1 1 SER H1 H 4.781 0.219 -5.880 1.00 . A A . 1 SER H1 1 1 17 1989 1 1 1 SER H2 H 4.601 0.318 -4.194 1.00 . A A . 1 SER H2 1 1 17 1990 1 1 1 SER H3 H 6.152 0.264 -4.883 1.00 . A A . 1 SER H3 1 1 17 1991 1 1 1 SER HA H 5.782 2.427 -5.934 1.00 . A A . 1 SER HA 1 1 17 1992 1 1 1 SER HB2 H 3.096 1.824 -4.740 1.00 . A A . 1 SER HB2 1 1 17 1993 1 1 1 SER HB3 H 3.582 3.507 -4.925 1.00 . A A . 1 SER HB3 1 1 17 1994 1 1 1 SER HG H 3.501 1.512 -6.949 1.00 . A A . 1 SER HG 1 1 17 1995 1 1 1 SER N N 5.181 0.614 -5.005 1.00 . A A . 1 SER N 1 1 17 1996 1 1 1 SER O O 6.226 1.997 -2.928 1.00 . A A . 1 SER O 1 1 17 1997 1 1 1 SER OG O 3.408 2.426 -6.671 1.00 . A A . 1 SER OG 1 1 17 1998 1 1 2 VAL C C 5.443 4.107 -1.180 1.00 . A A . 2 VAL C 1 1 17 1999 1 1 2 VAL CA C 6.186 4.646 -2.407 1.00 . A A . 2 VAL CA 1 1 17 2000 1 1 2 VAL CB C 5.914 6.142 -2.593 1.00 . A A . 2 VAL CB 1 1 17 2001 1 1 2 VAL CG1 C 4.408 6.382 -2.732 1.00 . A A . 2 VAL CG1 1 1 17 2002 1 1 2 VAL CG2 C 6.441 6.911 -1.379 1.00 . A A . 2 VAL CG2 1 1 17 2003 1 1 2 VAL H H 5.275 4.546 -4.360 1.00 . A A . 2 VAL H 1 1 17 2004 1 1 2 VAL HA H 7.246 4.475 -2.309 1.00 . A A . 2 VAL HA 1 1 17 2005 1 1 2 VAL HB H 6.415 6.488 -3.485 1.00 . A A . 2 VAL HB 1 1 17 2006 1 1 2 VAL HG11 H 3.967 5.584 -3.311 1.00 . A A . 2 VAL HG11 1 1 17 2007 1 1 2 VAL HG12 H 4.238 7.324 -3.233 1.00 . A A . 2 VAL HG12 1 1 17 2008 1 1 2 VAL HG13 H 3.955 6.408 -1.752 1.00 . A A . 2 VAL HG13 1 1 17 2009 1 1 2 VAL HG21 H 5.896 6.609 -0.497 1.00 . A A . 2 VAL HG21 1 1 17 2010 1 1 2 VAL HG22 H 6.308 7.971 -1.539 1.00 . A A . 2 VAL HG22 1 1 17 2011 1 1 2 VAL HG23 H 7.490 6.697 -1.245 1.00 . A A . 2 VAL HG23 1 1 17 2012 1 1 2 VAL N N 5.668 3.998 -3.649 1.00 . A A . 2 VAL N 1 1 17 2013 1 1 2 VAL O O 6.013 3.948 -0.118 1.00 . A A . 2 VAL O 1 1 17 2014 1 1 3 ALA C C 3.738 1.820 0.081 1.00 . A A . 3 ALA C 1 1 17 2015 1 1 3 ALA CA C 3.394 3.294 -0.166 1.00 . A A . 3 ALA CA 1 1 17 2016 1 1 3 ALA CB C 1.929 3.440 -0.577 1.00 . A A . 3 ALA CB 1 1 17 2017 1 1 3 ALA H H 3.739 3.960 -2.188 1.00 . A A . 3 ALA H 1 1 17 2018 1 1 3 ALA HA H 3.587 3.879 0.719 1.00 . A A . 3 ALA HA 1 1 17 2019 1 1 3 ALA HB1 H 1.586 4.435 -0.338 1.00 . A A . 3 ALA HB1 1 1 17 2020 1 1 3 ALA HB2 H 1.332 2.715 -0.046 1.00 . A A . 3 ALA HB2 1 1 17 2021 1 1 3 ALA HB3 H 1.836 3.274 -1.641 1.00 . A A . 3 ALA HB3 1 1 17 2022 1 1 3 ALA N N 4.176 3.824 -1.321 1.00 . A A . 3 ALA N 1 1 17 2023 1 1 3 ALA O O 3.428 1.270 1.119 1.00 . A A . 3 ALA O 1 1 17 2024 1 1 4 GLY C C 5.956 -0.365 0.232 1.00 . A A . 4 GLY C 1 1 17 2025 1 1 4 GLY CA C 4.735 -0.257 -0.681 1.00 . A A . 4 GLY CA 1 1 17 2026 1 1 4 GLY H H 4.616 1.640 -1.695 1.00 . A A . 4 GLY H 1 1 17 2027 1 1 4 GLY HA2 H 3.902 -0.782 -0.233 1.00 . A A . 4 GLY HA2 1 1 17 2028 1 1 4 GLY HA3 H 4.966 -0.696 -1.638 1.00 . A A . 4 GLY HA3 1 1 17 2029 1 1 4 GLY N N 4.374 1.178 -0.864 1.00 . A A . 4 GLY N 1 1 17 2030 1 1 4 GLY O O 6.117 -1.329 0.955 1.00 . A A . 4 GLY O 1 1 17 2031 1 1 5 ARG C C 7.830 1.439 2.323 1.00 . A A . 5 ARG C 1 1 17 2032 1 1 5 ARG CA C 8.027 0.571 1.075 1.00 . A A . 5 ARG CA 1 1 17 2033 1 1 5 ARG CB C 9.161 1.122 0.211 1.00 . A A . 5 ARG CB 1 1 17 2034 1 1 5 ARG CD C 11.252 -0.008 -0.574 1.00 . A A . 5 ARG CD 1 1 17 2035 1 1 5 ARG CG C 9.723 0.002 -0.671 1.00 . A A . 5 ARG CG 1 1 17 2036 1 1 5 ARG CZ C 12.957 1.207 -1.821 1.00 . A A . 5 ARG CZ 1 1 17 2037 1 1 5 ARG H H 6.665 1.385 -0.383 1.00 . A A . 5 ARG H 1 1 17 2038 1 1 5 ARG HA H 8.244 -0.448 1.359 1.00 . A A . 5 ARG HA 1 1 17 2039 1 1 5 ARG HB2 H 8.781 1.917 -0.412 1.00 . A A . 5 ARG HB2 1 1 17 2040 1 1 5 ARG HB3 H 9.943 1.504 0.849 1.00 . A A . 5 ARG HB3 1 1 17 2041 1 1 5 ARG HD2 H 11.571 0.460 0.347 1.00 . A A . 5 ARG HD2 1 1 17 2042 1 1 5 ARG HD3 H 11.626 -1.018 -0.634 1.00 . A A . 5 ARG HD3 1 1 17 2043 1 1 5 ARG HE H 11.096 0.982 -2.481 1.00 . A A . 5 ARG HE 1 1 17 2044 1 1 5 ARG HG2 H 9.335 -0.949 -0.338 1.00 . A A . 5 ARG HG2 1 1 17 2045 1 1 5 ARG HG3 H 9.431 0.172 -1.696 1.00 . A A . 5 ARG HG3 1 1 17 2046 1 1 5 ARG HH11 H 13.520 0.425 -0.060 1.00 . A A . 5 ARG HH11 1 1 17 2047 1 1 5 ARG HH12 H 14.749 1.281 -0.925 1.00 . A A . 5 ARG HH12 1 1 17 2048 1 1 5 ARG HH21 H 12.701 2.093 -3.598 1.00 . A A . 5 ARG HH21 1 1 17 2049 1 1 5 ARG HH22 H 14.289 2.221 -2.919 1.00 . A A . 5 ARG HH22 1 1 17 2050 1 1 5 ARG N N 6.816 0.618 0.207 1.00 . A A . 5 ARG N 1 1 17 2051 1 1 5 ARG NE N 11.720 0.781 -1.752 1.00 . A A . 5 ARG NE 1 1 17 2052 1 1 5 ARG NH1 N 13.808 0.950 -0.860 1.00 . A A . 5 ARG NH1 1 1 17 2053 1 1 5 ARG NH2 N 13.345 1.893 -2.860 1.00 . A A . 5 ARG NH2 1 1 17 2054 1 1 5 ARG O O 8.632 1.409 3.236 1.00 . A A . 5 ARG O 1 1 17 2055 1 1 6 ALA C C 6.621 2.217 4.846 1.00 . A A . 6 ALA C 1 1 17 2056 1 1 6 ALA CA C 6.527 3.067 3.576 1.00 . A A . 6 ALA CA 1 1 17 2057 1 1 6 ALA CB C 5.111 3.616 3.398 1.00 . A A . 6 ALA CB 1 1 17 2058 1 1 6 ALA H H 6.130 2.216 1.633 1.00 . A A . 6 ALA H 1 1 17 2059 1 1 6 ALA HA H 7.238 3.878 3.610 1.00 . A A . 6 ALA HA 1 1 17 2060 1 1 6 ALA HB1 H 5.073 4.635 3.750 1.00 . A A . 6 ALA HB1 1 1 17 2061 1 1 6 ALA HB2 H 4.418 3.013 3.966 1.00 . A A . 6 ALA HB2 1 1 17 2062 1 1 6 ALA HB3 H 4.841 3.585 2.353 1.00 . A A . 6 ALA HB3 1 1 17 2063 1 1 6 ALA N N 6.769 2.207 2.376 1.00 . A A . 6 ALA N 1 1 17 2064 1 1 6 ALA O O 7.021 2.684 5.894 1.00 . A A . 6 ALA O 1 1 17 2065 1 1 7 GLN C C 7.454 -0.972 5.713 1.00 . A A . 7 GLN C 1 1 17 2066 1 1 7 GLN CA C 6.343 0.062 5.927 1.00 . A A . 7 GLN CA 1 1 17 2067 1 1 7 GLN CB C 4.978 -0.623 5.996 1.00 . A A . 7 GLN CB 1 1 17 2068 1 1 7 GLN CD C 3.998 -0.002 8.209 1.00 . A A . 7 GLN CD 1 1 17 2069 1 1 7 GLN CG C 4.718 -1.101 7.426 1.00 . A A . 7 GLN CG 1 1 17 2070 1 1 7 GLN H H 5.957 0.614 3.884 1.00 . A A . 7 GLN H 1 1 17 2071 1 1 7 GLN HA H 6.520 0.629 6.827 1.00 . A A . 7 GLN HA 1 1 17 2072 1 1 7 GLN HB2 H 4.209 0.078 5.704 1.00 . A A . 7 GLN HB2 1 1 17 2073 1 1 7 GLN HB3 H 4.966 -1.471 5.327 1.00 . A A . 7 GLN HB3 1 1 17 2074 1 1 7 GLN HE21 H 2.526 0.171 6.888 1.00 . A A . 7 GLN HE21 1 1 17 2075 1 1 7 GLN HE22 H 2.421 1.203 8.232 1.00 . A A . 7 GLN HE22 1 1 17 2076 1 1 7 GLN HG2 H 4.103 -1.990 7.402 1.00 . A A . 7 GLN HG2 1 1 17 2077 1 1 7 GLN HG3 H 5.658 -1.326 7.907 1.00 . A A . 7 GLN HG3 1 1 17 2078 1 1 7 GLN N N 6.266 0.966 4.746 1.00 . A A . 7 GLN N 1 1 17 2079 1 1 7 GLN NE2 N 2.890 0.499 7.737 1.00 . A A . 7 GLN NE2 1 1 17 2080 1 1 7 GLN O O 7.983 -1.532 6.652 1.00 . A A . 7 GLN O 1 1 17 2081 1 1 7 GLN OE1 O 4.449 0.403 9.262 1.00 . A A . 7 GLN OE1 1 1 17 2082 1 1 8 GLY C C 8.247 -3.567 3.849 1.00 . A A . 8 GLY C 1 1 17 2083 1 1 8 GLY CA C 8.881 -2.220 4.195 1.00 . A A . 8 GLY CA 1 1 17 2084 1 1 8 GLY H H 7.366 -0.762 3.737 1.00 . A A . 8 GLY H 1 1 17 2085 1 1 8 GLY HA2 H 9.476 -1.874 3.360 1.00 . A A . 8 GLY HA2 1 1 17 2086 1 1 8 GLY HA3 H 9.508 -2.332 5.065 1.00 . A A . 8 GLY HA3 1 1 17 2087 1 1 8 GLY N N 7.807 -1.225 4.479 1.00 . A A . 8 GLY N 1 1 17 2088 1 1 8 GLY O O 8.598 -4.590 4.405 1.00 . A A . 8 GLY O 1 1 17 2089 1 1 9 MET C C 6.816 -5.108 1.051 1.00 . A A . 9 MET C 1 1 17 2090 1 1 9 MET CA C 6.650 -4.855 2.553 1.00 . A A . 9 MET CA 1 1 17 2091 1 1 9 MET CB C 5.175 -4.658 2.905 1.00 . A A . 9 MET CB 1 1 17 2092 1 1 9 MET CE C 3.046 -8.122 3.284 1.00 . A A . 9 MET CE 1 1 17 2093 1 1 9 MET CG C 4.628 -5.932 3.552 1.00 . A A . 9 MET CG 1 1 17 2094 1 1 9 MET H H 7.046 -2.736 2.503 1.00 . A A . 9 MET H 1 1 17 2095 1 1 9 MET HA H 7.059 -5.675 3.121 1.00 . A A . 9 MET HA 1 1 17 2096 1 1 9 MET HB2 H 5.079 -3.833 3.597 1.00 . A A . 9 MET HB2 1 1 17 2097 1 1 9 MET HB3 H 4.615 -4.443 2.008 1.00 . A A . 9 MET HB3 1 1 17 2098 1 1 9 MET HE1 H 2.148 -8.359 2.730 1.00 . A A . 9 MET HE1 1 1 17 2099 1 1 9 MET HE2 H 2.782 -7.584 4.181 1.00 . A A . 9 MET HE2 1 1 17 2100 1 1 9 MET HE3 H 3.561 -9.034 3.552 1.00 . A A . 9 MET HE3 1 1 17 2101 1 1 9 MET HG2 H 5.394 -6.380 4.167 1.00 . A A . 9 MET HG2 1 1 17 2102 1 1 9 MET HG3 H 3.773 -5.686 4.164 1.00 . A A . 9 MET HG3 1 1 17 2103 1 1 9 MET N N 7.313 -3.574 2.936 1.00 . A A . 9 MET N 1 1 17 2104 1 1 9 MET O O 7.054 -6.222 0.629 1.00 . A A . 9 MET O 1 1 17 2105 1 1 9 MET SD S 4.131 -7.098 2.260 1.00 . A A . 9 MET SD 1 1 17 2106 1 1 10 NH2 HN1 H 6.503 -3.210 0.558 1.00 . A A . 10 NH2 HN1 1 1 17 2107 1 1 10 NH2 HN2 H 6.801 -4.259 -0.744 1.00 . A A . 10 NH2 HN2 1 1 17 2108 1 1 10 NH2 N N 6.696 -4.109 0.220 1.00 . A A . 10 NH2 N 1 1 18 2109 1 1 1 SER C C 5.046 3.519 -4.690 1.00 . A A . 1 SER C 1 1 18 2110 1 1 1 SER CA C 3.962 3.490 -5.773 1.00 . A A . 1 SER CA 1 1 18 2111 1 1 1 SER CB C 2.645 2.969 -5.198 1.00 . A A . 1 SER CB 1 1 18 2112 1 1 1 SER H1 H 3.539 2.426 -7.513 1.00 . A A . 1 SER H1 1 1 18 2113 1 1 1 SER H2 H 4.530 1.592 -6.414 1.00 . A A . 1 SER H2 1 1 18 2114 1 1 1 SER H3 H 5.171 2.858 -7.347 1.00 . A A . 1 SER H3 1 1 18 2115 1 1 1 SER HA H 3.819 4.474 -6.189 1.00 . A A . 1 SER HA 1 1 18 2116 1 1 1 SER HB2 H 2.306 3.628 -4.416 1.00 . A A . 1 SER HB2 1 1 18 2117 1 1 1 SER HB3 H 1.901 2.934 -5.983 1.00 . A A . 1 SER HB3 1 1 18 2118 1 1 1 SER HG H 2.795 1.732 -3.704 1.00 . A A . 1 SER HG 1 1 18 2119 1 1 1 SER N N 4.327 2.518 -6.842 1.00 . A A . 1 SER N 1 1 18 2120 1 1 1 SER O O 6.016 2.789 -4.753 1.00 . A A . 1 SER O 1 1 18 2121 1 1 1 SER OG O 2.849 1.670 -4.660 1.00 . A A . 1 SER OG 1 1 18 2122 1 1 2 VAL C C 5.336 3.887 -1.306 1.00 . A A . 2 VAL C 1 1 18 2123 1 1 2 VAL CA C 5.909 4.436 -2.616 1.00 . A A . 2 VAL CA 1 1 18 2124 1 1 2 VAL CB C 6.231 5.923 -2.480 1.00 . A A . 2 VAL CB 1 1 18 2125 1 1 2 VAL CG1 C 7.264 6.122 -1.367 1.00 . A A . 2 VAL CG1 1 1 18 2126 1 1 2 VAL CG2 C 6.801 6.439 -3.802 1.00 . A A . 2 VAL CG2 1 1 18 2127 1 1 2 VAL H H 4.099 4.937 -3.673 1.00 . A A . 2 VAL H 1 1 18 2128 1 1 2 VAL HA H 6.797 3.891 -2.895 1.00 . A A . 2 VAL HA 1 1 18 2129 1 1 2 VAL HB H 5.330 6.466 -2.236 1.00 . A A . 2 VAL HB 1 1 18 2130 1 1 2 VAL HG11 H 6.762 6.137 -0.411 1.00 . A A . 2 VAL HG11 1 1 18 2131 1 1 2 VAL HG12 H 7.780 7.057 -1.519 1.00 . A A . 2 VAL HG12 1 1 18 2132 1 1 2 VAL HG13 H 7.975 5.309 -1.387 1.00 . A A . 2 VAL HG13 1 1 18 2133 1 1 2 VAL HG21 H 7.434 5.682 -4.242 1.00 . A A . 2 VAL HG21 1 1 18 2134 1 1 2 VAL HG22 H 7.380 7.332 -3.620 1.00 . A A . 2 VAL HG22 1 1 18 2135 1 1 2 VAL HG23 H 5.990 6.668 -4.478 1.00 . A A . 2 VAL HG23 1 1 18 2136 1 1 2 VAL N N 4.888 4.358 -3.702 1.00 . A A . 2 VAL N 1 1 18 2137 1 1 2 VAL O O 6.066 3.484 -0.421 1.00 . A A . 2 VAL O 1 1 18 2138 1 1 3 ALA C C 3.813 1.872 0.288 1.00 . A A . 3 ALA C 1 1 18 2139 1 1 3 ALA CA C 3.419 3.338 0.075 1.00 . A A . 3 ALA CA 1 1 18 2140 1 1 3 ALA CB C 1.911 3.462 -0.141 1.00 . A A . 3 ALA CB 1 1 18 2141 1 1 3 ALA H H 3.466 4.193 -1.903 1.00 . A A . 3 ALA H 1 1 18 2142 1 1 3 ALA HA H 3.719 3.935 0.922 1.00 . A A . 3 ALA HA 1 1 18 2143 1 1 3 ALA HB1 H 1.678 4.454 -0.498 1.00 . A A . 3 ALA HB1 1 1 18 2144 1 1 3 ALA HB2 H 1.398 3.284 0.793 1.00 . A A . 3 ALA HB2 1 1 18 2145 1 1 3 ALA HB3 H 1.592 2.732 -0.871 1.00 . A A . 3 ALA HB3 1 1 18 2146 1 1 3 ALA N N 4.036 3.866 -1.177 1.00 . A A . 3 ALA N 1 1 18 2147 1 1 3 ALA O O 3.648 1.327 1.362 1.00 . A A . 3 ALA O 1 1 18 2148 1 1 4 GLY C C 5.961 -0.295 0.326 1.00 . A A . 4 GLY C 1 1 18 2149 1 1 4 GLY CA C 4.731 -0.200 -0.578 1.00 . A A . 4 GLY CA 1 1 18 2150 1 1 4 GLY H H 4.457 1.683 -1.585 1.00 . A A . 4 GLY H 1 1 18 2151 1 1 4 GLY HA2 H 3.917 -0.758 -0.139 1.00 . A A . 4 GLY HA2 1 1 18 2152 1 1 4 GLY HA3 H 4.970 -0.611 -1.547 1.00 . A A . 4 GLY HA3 1 1 18 2153 1 1 4 GLY N N 4.332 1.229 -0.727 1.00 . A A . 4 GLY N 1 1 18 2154 1 1 4 GLY O O 6.128 -1.247 1.063 1.00 . A A . 4 GLY O 1 1 18 2155 1 1 5 ARG C C 7.832 1.500 2.398 1.00 . A A . 5 ARG C 1 1 18 2156 1 1 5 ARG CA C 8.040 0.653 1.136 1.00 . A A . 5 ARG CA 1 1 18 2157 1 1 5 ARG CB C 9.155 1.242 0.275 1.00 . A A . 5 ARG CB 1 1 18 2158 1 1 5 ARG CD C 11.017 0.538 -1.237 1.00 . A A . 5 ARG CD 1 1 18 2159 1 1 5 ARG CG C 9.598 0.212 -0.765 1.00 . A A . 5 ARG CG 1 1 18 2160 1 1 5 ARG CZ C 13.202 -0.094 -0.364 1.00 . A A . 5 ARG CZ 1 1 18 2161 1 1 5 ARG H H 6.665 1.446 -0.323 1.00 . A A . 5 ARG H 1 1 18 2162 1 1 5 ARG HA H 8.282 -0.363 1.403 1.00 . A A . 5 ARG HA 1 1 18 2163 1 1 5 ARG HB2 H 8.792 2.129 -0.226 1.00 . A A . 5 ARG HB2 1 1 18 2164 1 1 5 ARG HB3 H 9.995 1.501 0.901 1.00 . A A . 5 ARG HB3 1 1 18 2165 1 1 5 ARG HD2 H 11.130 0.290 -2.284 1.00 . A A . 5 ARG HD2 1 1 18 2166 1 1 5 ARG HD3 H 11.238 1.581 -1.071 1.00 . A A . 5 ARG HD3 1 1 18 2167 1 1 5 ARG HE H 11.528 -1.043 0.132 1.00 . A A . 5 ARG HE 1 1 18 2168 1 1 5 ARG HG2 H 9.582 -0.774 -0.323 1.00 . A A . 5 ARG HG2 1 1 18 2169 1 1 5 ARG HG3 H 8.925 0.239 -1.609 1.00 . A A . 5 ARG HG3 1 1 18 2170 1 1 5 ARG HH11 H 13.160 1.458 -1.636 1.00 . A A . 5 ARG HH11 1 1 18 2171 1 1 5 ARG HH12 H 14.723 1.029 -1.029 1.00 . A A . 5 ARG HH12 1 1 18 2172 1 1 5 ARG HH21 H 13.564 -1.592 0.915 1.00 . A A . 5 ARG HH21 1 1 18 2173 1 1 5 ARG HH22 H 14.952 -0.688 0.407 1.00 . A A . 5 ARG HH22 1 1 18 2174 1 1 5 ARG N N 6.821 0.687 0.277 1.00 . A A . 5 ARG N 1 1 18 2175 1 1 5 ARG NE N 11.910 -0.313 -0.398 1.00 . A A . 5 ARG NE 1 1 18 2176 1 1 5 ARG NH1 N 13.736 0.873 -1.066 1.00 . A A . 5 ARG NH1 1 1 18 2177 1 1 5 ARG NH2 N 13.966 -0.850 0.378 1.00 . A A . 5 ARG NH2 1 1 18 2178 1 1 5 ARG O O 8.680 1.542 3.268 1.00 . A A . 5 ARG O 1 1 18 2179 1 1 6 ALA C C 6.663 2.160 4.984 1.00 . A A . 6 ALA C 1 1 18 2180 1 1 6 ALA CA C 6.458 3.005 3.725 1.00 . A A . 6 ALA CA 1 1 18 2181 1 1 6 ALA CB C 4.998 3.449 3.607 1.00 . A A . 6 ALA CB 1 1 18 2182 1 1 6 ALA H H 6.036 2.121 1.802 1.00 . A A . 6 ALA H 1 1 18 2183 1 1 6 ALA HA H 7.108 3.865 3.735 1.00 . A A . 6 ALA HA 1 1 18 2184 1 1 6 ALA HB1 H 4.350 2.627 3.868 1.00 . A A . 6 ALA HB1 1 1 18 2185 1 1 6 ALA HB2 H 4.797 3.757 2.592 1.00 . A A . 6 ALA HB2 1 1 18 2186 1 1 6 ALA HB3 H 4.819 4.277 4.277 1.00 . A A . 6 ALA HB3 1 1 18 2187 1 1 6 ALA N N 6.711 2.170 2.511 1.00 . A A . 6 ALA N 1 1 18 2188 1 1 6 ALA O O 7.149 2.632 5.993 1.00 . A A . 6 ALA O 1 1 18 2189 1 1 7 GLN C C 7.577 -1.025 5.799 1.00 . A A . 7 GLN C 1 1 18 2190 1 1 7 GLN CA C 6.488 0.010 6.099 1.00 . A A . 7 GLN CA 1 1 18 2191 1 1 7 GLN CB C 5.131 -0.671 6.302 1.00 . A A . 7 GLN CB 1 1 18 2192 1 1 7 GLN CD C 3.601 -2.405 5.352 1.00 . A A . 7 GLN CD 1 1 18 2193 1 1 7 GLN CG C 4.735 -1.430 5.031 1.00 . A A . 7 GLN CG 1 1 18 2194 1 1 7 GLN H H 5.926 0.549 4.091 1.00 . A A . 7 GLN H 1 1 18 2195 1 1 7 GLN HA H 6.745 0.587 6.973 1.00 . A A . 7 GLN HA 1 1 18 2196 1 1 7 GLN HB2 H 5.197 -1.363 7.128 1.00 . A A . 7 GLN HB2 1 1 18 2197 1 1 7 GLN HB3 H 4.383 0.077 6.518 1.00 . A A . 7 GLN HB3 1 1 18 2198 1 1 7 GLN HE21 H 4.608 -3.324 6.796 1.00 . A A . 7 GLN HE21 1 1 18 2199 1 1 7 GLN HE22 H 3.044 -3.918 6.511 1.00 . A A . 7 GLN HE22 1 1 18 2200 1 1 7 GLN HG2 H 4.405 -0.727 4.281 1.00 . A A . 7 GLN HG2 1 1 18 2201 1 1 7 GLN HG3 H 5.586 -1.980 4.660 1.00 . A A . 7 GLN HG3 1 1 18 2202 1 1 7 GLN N N 6.305 0.906 4.921 1.00 . A A . 7 GLN N 1 1 18 2203 1 1 7 GLN NE2 N 3.765 -3.289 6.298 1.00 . A A . 7 GLN NE2 1 1 18 2204 1 1 7 GLN O O 8.164 -1.598 6.695 1.00 . A A . 7 GLN O 1 1 18 2205 1 1 7 GLN OE1 O 2.555 -2.362 4.735 1.00 . A A . 7 GLN OE1 1 1 18 2206 1 1 8 GLY C C 8.239 -3.571 3.760 1.00 . A A . 8 GLY C 1 1 18 2207 1 1 8 GLY CA C 8.901 -2.258 4.179 1.00 . A A . 8 GLY CA 1 1 18 2208 1 1 8 GLY H H 7.364 -0.790 3.836 1.00 . A A . 8 GLY H 1 1 18 2209 1 1 8 GLY HA2 H 9.490 -1.872 3.358 1.00 . A A . 8 GLY HA2 1 1 18 2210 1 1 8 GLY HA3 H 9.540 -2.435 5.029 1.00 . A A . 8 GLY HA3 1 1 18 2211 1 1 8 GLY N N 7.850 -1.265 4.542 1.00 . A A . 8 GLY N 1 1 18 2212 1 1 8 GLY O O 8.593 -4.634 4.229 1.00 . A A . 8 GLY O 1 1 18 2213 1 1 9 MET C C 7.501 -5.555 1.504 1.00 . A A . 9 MET C 1 1 18 2214 1 1 9 MET CA C 6.584 -4.747 2.426 1.00 . A A . 9 MET CA 1 1 18 2215 1 1 9 MET CB C 5.349 -4.261 1.665 1.00 . A A . 9 MET CB 1 1 18 2216 1 1 9 MET CE C 1.937 -4.413 2.869 1.00 . A A . 9 MET CE 1 1 18 2217 1 1 9 MET CG C 4.460 -3.442 2.602 1.00 . A A . 9 MET CG 1 1 18 2218 1 1 9 MET H H 7.007 -2.634 2.515 1.00 . A A . 9 MET H 1 1 18 2219 1 1 9 MET HA H 6.284 -5.340 3.275 1.00 . A A . 9 MET HA 1 1 18 2220 1 1 9 MET HB2 H 5.660 -3.645 0.833 1.00 . A A . 9 MET HB2 1 1 18 2221 1 1 9 MET HB3 H 4.796 -5.111 1.296 1.00 . A A . 9 MET HB3 1 1 18 2222 1 1 9 MET HE1 H 2.474 -4.564 3.796 1.00 . A A . 9 MET HE1 1 1 18 2223 1 1 9 MET HE2 H 1.858 -5.351 2.345 1.00 . A A . 9 MET HE2 1 1 18 2224 1 1 9 MET HE3 H 0.945 -4.035 3.078 1.00 . A A . 9 MET HE3 1 1 18 2225 1 1 9 MET HG2 H 4.352 -3.963 3.541 1.00 . A A . 9 MET HG2 1 1 18 2226 1 1 9 MET HG3 H 4.911 -2.477 2.775 1.00 . A A . 9 MET HG3 1 1 18 2227 1 1 9 MET N N 7.275 -3.503 2.879 1.00 . A A . 9 MET N 1 1 18 2228 1 1 9 MET O O 7.587 -5.289 0.322 1.00 . A A . 9 MET O 1 1 18 2229 1 1 9 MET SD S 2.831 -3.219 1.845 1.00 . A A . 9 MET SD 1 1 18 2230 1 1 10 NH2 HN1 H 8.127 -6.759 2.954 1.00 . A A . 10 NH2 HN1 1 1 18 2231 1 1 10 NH2 HN2 H 8.785 -7.067 1.420 1.00 . A A . 10 NH2 HN2 1 1 18 2232 1 1 10 NH2 N N 8.195 -6.542 2.001 1.00 . A A . 10 NH2 N 1 1 19 2233 1 1 1 SER C C 6.045 2.494 -3.798 1.00 . A A . 1 SER C 1 1 19 2234 1 1 1 SER CA C 5.590 1.855 -5.112 1.00 . A A . 1 SER CA 1 1 19 2235 1 1 1 SER CB C 4.066 1.758 -5.161 1.00 . A A . 1 SER CB 1 1 19 2236 1 1 1 SER H1 H 5.705 -0.093 -4.382 1.00 . A A . 1 SER H1 1 1 19 2237 1 1 1 SER H2 H 7.111 0.432 -5.177 1.00 . A A . 1 SER H2 1 1 19 2238 1 1 1 SER H3 H 5.730 0.012 -6.075 1.00 . A A . 1 SER H3 1 1 19 2239 1 1 1 SER HA H 5.950 2.424 -5.954 1.00 . A A . 1 SER HA 1 1 19 2240 1 1 1 SER HB2 H 3.634 2.720 -4.944 1.00 . A A . 1 SER HB2 1 1 19 2241 1 1 1 SER HB3 H 3.758 1.441 -6.150 1.00 . A A . 1 SER HB3 1 1 19 2242 1 1 1 SER HG H 3.375 0.013 -4.649 1.00 . A A . 1 SER HG 1 1 19 2243 1 1 1 SER N N 6.070 0.445 -5.192 1.00 . A A . 1 SER N 1 1 19 2244 1 1 1 SER O O 6.569 1.831 -2.924 1.00 . A A . 1 SER O 1 1 19 2245 1 1 1 SER OG O 3.625 0.818 -4.190 1.00 . A A . 1 SER OG 1 1 19 2246 1 1 2 VAL C C 5.509 3.883 -1.200 1.00 . A A . 2 VAL C 1 1 19 2247 1 1 2 VAL CA C 6.271 4.462 -2.395 1.00 . A A . 2 VAL CA 1 1 19 2248 1 1 2 VAL CB C 5.906 5.932 -2.599 1.00 . A A . 2 VAL CB 1 1 19 2249 1 1 2 VAL CG1 C 6.293 6.732 -1.352 1.00 . A A . 2 VAL CG1 1 1 19 2250 1 1 2 VAL CG2 C 6.661 6.481 -3.811 1.00 . A A . 2 VAL CG2 1 1 19 2251 1 1 2 VAL H H 5.425 4.291 -4.373 1.00 . A A . 2 VAL H 1 1 19 2252 1 1 2 VAL HA H 7.334 4.362 -2.249 1.00 . A A . 2 VAL HA 1 1 19 2253 1 1 2 VAL HB H 4.841 6.019 -2.765 1.00 . A A . 2 VAL HB 1 1 19 2254 1 1 2 VAL HG11 H 5.487 6.690 -0.635 1.00 . A A . 2 VAL HG11 1 1 19 2255 1 1 2 VAL HG12 H 6.478 7.759 -1.627 1.00 . A A . 2 VAL HG12 1 1 19 2256 1 1 2 VAL HG13 H 7.185 6.307 -0.916 1.00 . A A . 2 VAL HG13 1 1 19 2257 1 1 2 VAL HG21 H 7.683 6.133 -3.785 1.00 . A A . 2 VAL HG21 1 1 19 2258 1 1 2 VAL HG22 H 6.647 7.560 -3.787 1.00 . A A . 2 VAL HG22 1 1 19 2259 1 1 2 VAL HG23 H 6.185 6.135 -4.717 1.00 . A A . 2 VAL HG23 1 1 19 2260 1 1 2 VAL N N 5.850 3.777 -3.654 1.00 . A A . 2 VAL N 1 1 19 2261 1 1 2 VAL O O 6.098 3.422 -0.242 1.00 . A A . 2 VAL O 1 1 19 2262 1 1 3 ALA C C 3.753 1.874 0.107 1.00 . A A . 3 ALA C 1 1 19 2263 1 1 3 ALA CA C 3.400 3.347 -0.124 1.00 . A A . 3 ALA CA 1 1 19 2264 1 1 3 ALA CB C 1.943 3.484 -0.567 1.00 . A A . 3 ALA CB 1 1 19 2265 1 1 3 ALA H H 3.752 4.274 -2.040 1.00 . A A . 3 ALA H 1 1 19 2266 1 1 3 ALA HA H 3.569 3.920 0.773 1.00 . A A . 3 ALA HA 1 1 19 2267 1 1 3 ALA HB1 H 1.383 2.623 -0.232 1.00 . A A . 3 ALA HB1 1 1 19 2268 1 1 3 ALA HB2 H 1.898 3.546 -1.644 1.00 . A A . 3 ALA HB2 1 1 19 2269 1 1 3 ALA HB3 H 1.519 4.379 -0.136 1.00 . A A . 3 ALA HB3 1 1 19 2270 1 1 3 ALA N N 4.204 3.900 -1.254 1.00 . A A . 3 ALA N 1 1 19 2271 1 1 3 ALA O O 3.484 1.320 1.155 1.00 . A A . 3 ALA O 1 1 19 2272 1 1 4 GLY C C 5.931 -0.309 0.235 1.00 . A A . 4 GLY C 1 1 19 2273 1 1 4 GLY CA C 4.726 -0.197 -0.699 1.00 . A A . 4 GLY CA 1 1 19 2274 1 1 4 GLY H H 4.565 1.703 -1.701 1.00 . A A . 4 GLY H 1 1 19 2275 1 1 4 GLY HA2 H 3.891 -0.738 -0.276 1.00 . A A . 4 GLY HA2 1 1 19 2276 1 1 4 GLY HA3 H 4.980 -0.618 -1.659 1.00 . A A . 4 GLY HA3 1 1 19 2277 1 1 4 GLY N N 4.356 1.238 -0.863 1.00 . A A . 4 GLY N 1 1 19 2278 1 1 4 GLY O O 6.066 -1.263 0.976 1.00 . A A . 4 GLY O 1 1 19 2279 1 1 5 ARG C C 7.787 1.475 2.340 1.00 . A A . 5 ARG C 1 1 19 2280 1 1 5 ARG CA C 8.003 0.607 1.095 1.00 . A A . 5 ARG CA 1 1 19 2281 1 1 5 ARG CB C 9.155 1.153 0.249 1.00 . A A . 5 ARG CB 1 1 19 2282 1 1 5 ARG CD C 11.200 0.632 1.588 1.00 . A A . 5 ARG CD 1 1 19 2283 1 1 5 ARG CG C 10.365 0.224 0.371 1.00 . A A . 5 ARG CG 1 1 19 2284 1 1 5 ARG CZ C 12.640 2.548 2.022 1.00 . A A . 5 ARG CZ 1 1 19 2285 1 1 5 ARG H H 6.678 1.420 -0.398 1.00 . A A . 5 ARG H 1 1 19 2286 1 1 5 ARG HA H 8.211 -0.412 1.381 1.00 . A A . 5 ARG HA 1 1 19 2287 1 1 5 ARG HB2 H 8.847 1.209 -0.784 1.00 . A A . 5 ARG HB2 1 1 19 2288 1 1 5 ARG HB3 H 9.424 2.137 0.601 1.00 . A A . 5 ARG HB3 1 1 19 2289 1 1 5 ARG HD2 H 10.573 0.698 2.467 1.00 . A A . 5 ARG HD2 1 1 19 2290 1 1 5 ARG HD3 H 12.000 -0.073 1.748 1.00 . A A . 5 ARG HD3 1 1 19 2291 1 1 5 ARG HE H 11.466 2.423 0.423 1.00 . A A . 5 ARG HE 1 1 19 2292 1 1 5 ARG HG2 H 10.026 -0.795 0.491 1.00 . A A . 5 ARG HG2 1 1 19 2293 1 1 5 ARG HG3 H 10.970 0.301 -0.519 1.00 . A A . 5 ARG HG3 1 1 19 2294 1 1 5 ARG HH11 H 12.677 1.073 3.382 1.00 . A A . 5 ARG HH11 1 1 19 2295 1 1 5 ARG HH12 H 13.715 2.417 3.708 1.00 . A A . 5 ARG HH12 1 1 19 2296 1 1 5 ARG HH21 H 12.818 4.167 0.858 1.00 . A A . 5 ARG HH21 1 1 19 2297 1 1 5 ARG HH22 H 13.796 4.161 2.287 1.00 . A A . 5 ARG HH22 1 1 19 2298 1 1 5 ARG N N 6.807 0.660 0.206 1.00 . A A . 5 ARG N 1 1 19 2299 1 1 5 ARG NE N 11.759 1.971 1.243 1.00 . A A . 5 ARG NE 1 1 19 2300 1 1 5 ARG NH1 N 13.042 1.966 3.123 1.00 . A A . 5 ARG NH1 1 1 19 2301 1 1 5 ARG NH2 N 13.122 3.716 1.696 1.00 . A A . 5 ARG NH2 1 1 19 2302 1 1 5 ARG O O 8.607 1.491 3.237 1.00 . A A . 5 ARG O 1 1 19 2303 1 1 6 ALA C C 6.586 2.192 4.876 1.00 . A A . 6 ALA C 1 1 19 2304 1 1 6 ALA CA C 6.427 3.040 3.614 1.00 . A A . 6 ALA CA 1 1 19 2305 1 1 6 ALA CB C 4.981 3.516 3.463 1.00 . A A . 6 ALA CB 1 1 19 2306 1 1 6 ALA H H 6.034 2.158 1.683 1.00 . A A . 6 ALA H 1 1 19 2307 1 1 6 ALA HA H 7.098 3.884 3.635 1.00 . A A . 6 ALA HA 1 1 19 2308 1 1 6 ALA HB1 H 4.875 4.493 3.911 1.00 . A A . 6 ALA HB1 1 1 19 2309 1 1 6 ALA HB2 H 4.320 2.819 3.957 1.00 . A A . 6 ALA HB2 1 1 19 2310 1 1 6 ALA HB3 H 4.728 3.570 2.415 1.00 . A A . 6 ALA HB3 1 1 19 2311 1 1 6 ALA N N 6.688 2.189 2.412 1.00 . A A . 6 ALA N 1 1 19 2312 1 1 6 ALA O O 7.041 2.654 5.904 1.00 . A A . 6 ALA O 1 1 19 2313 1 1 7 GLN C C 7.483 -0.988 5.669 1.00 . A A . 7 GLN C 1 1 19 2314 1 1 7 GLN CA C 6.369 0.026 5.951 1.00 . A A . 7 GLN CA 1 1 19 2315 1 1 7 GLN CB C 5.015 -0.675 6.070 1.00 . A A . 7 GLN CB 1 1 19 2316 1 1 7 GLN CD C 5.136 -0.860 8.559 1.00 . A A . 7 GLN CD 1 1 19 2317 1 1 7 GLN CG C 5.042 -1.648 7.252 1.00 . A A . 7 GLN CG 1 1 19 2318 1 1 7 GLN H H 5.880 0.596 3.937 1.00 . A A . 7 GLN H 1 1 19 2319 1 1 7 GLN HA H 6.580 0.584 6.849 1.00 . A A . 7 GLN HA 1 1 19 2320 1 1 7 GLN HB2 H 4.241 0.062 6.228 1.00 . A A . 7 GLN HB2 1 1 19 2321 1 1 7 GLN HB3 H 4.811 -1.222 5.161 1.00 . A A . 7 GLN HB3 1 1 19 2322 1 1 7 GLN HE21 H 6.680 -1.905 9.241 1.00 . A A . 7 GLN HE21 1 1 19 2323 1 1 7 GLN HE22 H 6.126 -0.674 10.270 1.00 . A A . 7 GLN HE22 1 1 19 2324 1 1 7 GLN HG2 H 4.137 -2.240 7.251 1.00 . A A . 7 GLN HG2 1 1 19 2325 1 1 7 GLN HG3 H 5.898 -2.299 7.162 1.00 . A A . 7 GLN HG3 1 1 19 2326 1 1 7 GLN N N 6.229 0.941 4.785 1.00 . A A . 7 GLN N 1 1 19 2327 1 1 7 GLN NE2 N 6.057 -1.172 9.429 1.00 . A A . 7 GLN NE2 1 1 19 2328 1 1 7 GLN O O 8.028 -1.595 6.570 1.00 . A A . 7 GLN O 1 1 19 2329 1 1 7 GLN OE1 O 4.363 0.049 8.792 1.00 . A A . 7 GLN OE1 1 1 19 2330 1 1 8 GLY C C 8.281 -3.503 3.765 1.00 . A A . 8 GLY C 1 1 19 2331 1 1 8 GLY CA C 8.902 -2.138 4.065 1.00 . A A . 8 GLY CA 1 1 19 2332 1 1 8 GLY H H 7.372 -0.670 3.708 1.00 . A A . 8 GLY H 1 1 19 2333 1 1 8 GLY HA2 H 9.432 -1.782 3.191 1.00 . A A . 8 GLY HA2 1 1 19 2334 1 1 8 GLY HA3 H 9.589 -2.231 4.891 1.00 . A A . 8 GLY HA3 1 1 19 2335 1 1 8 GLY N N 7.825 -1.172 4.417 1.00 . A A . 8 GLY N 1 1 19 2336 1 1 8 GLY O O 8.685 -4.512 4.307 1.00 . A A . 8 GLY O 1 1 19 2337 1 1 9 MET C C 7.000 -5.250 1.134 1.00 . A A . 9 MET C 1 1 19 2338 1 1 9 MET CA C 6.647 -4.837 2.565 1.00 . A A . 9 MET CA 1 1 19 2339 1 1 9 MET CB C 5.146 -4.571 2.692 1.00 . A A . 9 MET CB 1 1 19 2340 1 1 9 MET CE C 2.771 -2.586 3.530 1.00 . A A . 9 MET CE 1 1 19 2341 1 1 9 MET CG C 4.800 -4.280 4.154 1.00 . A A . 9 MET CG 1 1 19 2342 1 1 9 MET H H 6.990 -2.711 2.478 1.00 . A A . 9 MET H 1 1 19 2343 1 1 9 MET HA H 6.945 -5.602 3.264 1.00 . A A . 9 MET HA 1 1 19 2344 1 1 9 MET HB2 H 4.879 -3.721 2.080 1.00 . A A . 9 MET HB2 1 1 19 2345 1 1 9 MET HB3 H 4.597 -5.440 2.361 1.00 . A A . 9 MET HB3 1 1 19 2346 1 1 9 MET HE1 H 2.424 -2.741 2.519 1.00 . A A . 9 MET HE1 1 1 19 2347 1 1 9 MET HE2 H 3.709 -2.054 3.507 1.00 . A A . 9 MET HE2 1 1 19 2348 1 1 9 MET HE3 H 2.044 -2.005 4.081 1.00 . A A . 9 MET HE3 1 1 19 2349 1 1 9 MET HG2 H 5.187 -5.069 4.780 1.00 . A A . 9 MET HG2 1 1 19 2350 1 1 9 MET HG3 H 5.241 -3.338 4.446 1.00 . A A . 9 MET HG3 1 1 19 2351 1 1 9 MET N N 7.299 -3.539 2.903 1.00 . A A . 9 MET N 1 1 19 2352 1 1 9 MET O O 6.427 -4.755 0.183 1.00 . A A . 9 MET O 1 1 19 2353 1 1 9 MET SD S 3.001 -4.187 4.341 1.00 . A A . 9 MET SD 1 1 19 2354 1 1 10 NH2 HN1 H 8.391 -6.546 1.705 1.00 . A A . 10 NH2 HN1 1 1 19 2355 1 1 10 NH2 HN2 H 8.164 -6.419 0.029 1.00 . A A . 10 NH2 HN2 1 1 19 2356 1 1 10 NH2 N N 7.928 -6.146 0.940 1.00 . A A . 10 NH2 N 1 1 20 2357 1 1 1 SER C C 5.095 3.088 -3.851 1.00 . A A . 1 SER C 1 1 20 2358 1 1 1 SER CA C 4.343 2.580 -5.084 1.00 . A A . 1 SER CA 1 1 20 2359 1 1 1 SER CB C 2.844 2.491 -4.798 1.00 . A A . 1 SER CB 1 1 20 2360 1 1 1 SER H1 H 4.608 0.578 -4.569 1.00 . A A . 1 SER H1 1 1 20 2361 1 1 1 SER H2 H 5.767 1.172 -5.659 1.00 . A A . 1 SER H2 1 1 20 2362 1 1 1 SER H3 H 4.193 0.823 -6.194 1.00 . A A . 1 SER H3 1 1 20 2363 1 1 1 SER HA H 4.520 3.227 -5.928 1.00 . A A . 1 SER HA 1 1 20 2364 1 1 1 SER HB2 H 2.509 3.405 -4.339 1.00 . A A . 1 SER HB2 1 1 20 2365 1 1 1 SER HB3 H 2.311 2.340 -5.728 1.00 . A A . 1 SER HB3 1 1 20 2366 1 1 1 SER HG H 2.091 1.739 -3.170 1.00 . A A . 1 SER HG 1 1 20 2367 1 1 1 SER N N 4.759 1.183 -5.401 1.00 . A A . 1 SER N 1 1 20 2368 1 1 1 SER O O 5.864 2.371 -3.242 1.00 . A A . 1 SER O 1 1 20 2369 1 1 1 SER OG O 2.598 1.405 -3.914 1.00 . A A . 1 SER OG 1 1 20 2370 1 1 2 VAL C C 5.178 4.098 -1.031 1.00 . A A . 2 VAL C 1 1 20 2371 1 1 2 VAL CA C 5.578 4.879 -2.285 1.00 . A A . 2 VAL CA 1 1 20 2372 1 1 2 VAL CB C 5.107 6.330 -2.186 1.00 . A A . 2 VAL CB 1 1 20 2373 1 1 2 VAL CG1 C 5.744 6.992 -0.963 1.00 . A A . 2 VAL CG1 1 1 20 2374 1 1 2 VAL CG2 C 5.522 7.086 -3.449 1.00 . A A . 2 VAL CG2 1 1 20 2375 1 1 2 VAL H H 4.251 4.882 -3.986 1.00 . A A . 2 VAL H 1 1 20 2376 1 1 2 VAL HA H 6.647 4.847 -2.425 1.00 . A A . 2 VAL HA 1 1 20 2377 1 1 2 VAL HB H 4.031 6.353 -2.086 1.00 . A A . 2 VAL HB 1 1 20 2378 1 1 2 VAL HG11 H 5.089 6.882 -0.112 1.00 . A A . 2 VAL HG11 1 1 20 2379 1 1 2 VAL HG12 H 5.902 8.041 -1.163 1.00 . A A . 2 VAL HG12 1 1 20 2380 1 1 2 VAL HG13 H 6.691 6.520 -0.751 1.00 . A A . 2 VAL HG13 1 1 20 2381 1 1 2 VAL HG21 H 5.473 6.422 -4.299 1.00 . A A . 2 VAL HG21 1 1 20 2382 1 1 2 VAL HG22 H 6.532 7.450 -3.335 1.00 . A A . 2 VAL HG22 1 1 20 2383 1 1 2 VAL HG23 H 4.853 7.920 -3.605 1.00 . A A . 2 VAL HG23 1 1 20 2384 1 1 2 VAL N N 4.877 4.322 -3.479 1.00 . A A . 2 VAL N 1 1 20 2385 1 1 2 VAL O O 6.017 3.630 -0.286 1.00 . A A . 2 VAL O 1 1 20 2386 1 1 3 ALA C C 3.967 1.756 0.359 1.00 . A A . 3 ALA C 1 1 20 2387 1 1 3 ALA CA C 3.443 3.195 0.405 1.00 . A A . 3 ALA CA 1 1 20 2388 1 1 3 ALA CB C 1.915 3.210 0.326 1.00 . A A . 3 ALA CB 1 1 20 2389 1 1 3 ALA H H 3.244 4.334 -1.416 1.00 . A A . 3 ALA H 1 1 20 2390 1 1 3 ALA HA H 3.770 3.687 1.307 1.00 . A A . 3 ALA HA 1 1 20 2391 1 1 3 ALA HB1 H 1.504 3.302 1.320 1.00 . A A . 3 ALA HB1 1 1 20 2392 1 1 3 ALA HB2 H 1.570 2.291 -0.123 1.00 . A A . 3 ALA HB2 1 1 20 2393 1 1 3 ALA HB3 H 1.594 4.048 -0.275 1.00 . A A . 3 ALA HB3 1 1 20 2394 1 1 3 ALA N N 3.902 3.950 -0.798 1.00 . A A . 3 ALA N 1 1 20 2395 1 1 3 ALA O O 3.977 1.059 1.354 1.00 . A A . 3 ALA O 1 1 20 2396 1 1 4 GLY C C 6.149 -0.246 0.007 1.00 . A A . 4 GLY C 1 1 20 2397 1 1 4 GLY CA C 4.927 -0.086 -0.899 1.00 . A A . 4 GLY CA 1 1 20 2398 1 1 4 GLY H H 4.388 1.885 -1.582 1.00 . A A . 4 GLY H 1 1 20 2399 1 1 4 GLY HA2 H 4.159 -0.783 -0.596 1.00 . A A . 4 GLY HA2 1 1 20 2400 1 1 4 GLY HA3 H 5.212 -0.285 -1.921 1.00 . A A . 4 GLY HA3 1 1 20 2401 1 1 4 GLY N N 4.404 1.307 -0.791 1.00 . A A . 4 GLY N 1 1 20 2402 1 1 4 GLY O O 6.356 -1.284 0.606 1.00 . A A . 4 GLY O 1 1 20 2403 1 1 5 ARG C C 7.988 1.528 2.247 1.00 . A A . 5 ARG C 1 1 20 2404 1 1 5 ARG CA C 8.168 0.679 0.982 1.00 . A A . 5 ARG CA 1 1 20 2405 1 1 5 ARG CB C 9.317 1.221 0.134 1.00 . A A . 5 ARG CB 1 1 20 2406 1 1 5 ARG CD C 8.978 0.854 -2.320 1.00 . A A . 5 ARG CD 1 1 20 2407 1 1 5 ARG CG C 9.581 0.272 -1.039 1.00 . A A . 5 ARG CG 1 1 20 2408 1 1 5 ARG CZ C 10.018 1.683 -4.363 1.00 . A A . 5 ARG CZ 1 1 20 2409 1 1 5 ARG H H 6.772 1.601 -0.378 1.00 . A A . 5 ARG H 1 1 20 2410 1 1 5 ARG HA H 8.360 -0.349 1.245 1.00 . A A . 5 ARG HA 1 1 20 2411 1 1 5 ARG HB2 H 9.055 2.198 -0.243 1.00 . A A . 5 ARG HB2 1 1 20 2412 1 1 5 ARG HB3 H 10.207 1.295 0.741 1.00 . A A . 5 ARG HB3 1 1 20 2413 1 1 5 ARG HD2 H 8.467 0.081 -2.877 1.00 . A A . 5 ARG HD2 1 1 20 2414 1 1 5 ARG HD3 H 8.301 1.661 -2.085 1.00 . A A . 5 ARG HD3 1 1 20 2415 1 1 5 ARG HE H 11.011 1.484 -2.653 1.00 . A A . 5 ARG HE 1 1 20 2416 1 1 5 ARG HG2 H 10.648 0.148 -1.166 1.00 . A A . 5 ARG HG2 1 1 20 2417 1 1 5 ARG HG3 H 9.130 -0.688 -0.835 1.00 . A A . 5 ARG HG3 1 1 20 2418 1 1 5 ARG HH11 H 8.072 1.201 -4.479 1.00 . A A . 5 ARG HH11 1 1 20 2419 1 1 5 ARG HH12 H 8.787 1.784 -5.942 1.00 . A A . 5 ARG HH12 1 1 20 2420 1 1 5 ARG HH21 H 11.929 2.241 -4.562 1.00 . A A . 5 ARG HH21 1 1 20 2421 1 1 5 ARG HH22 H 10.959 2.370 -5.991 1.00 . A A . 5 ARG HH22 1 1 20 2422 1 1 5 ARG N N 6.959 0.773 0.113 1.00 . A A . 5 ARG N 1 1 20 2423 1 1 5 ARG NE N 10.143 1.373 -3.095 1.00 . A A . 5 ARG NE 1 1 20 2424 1 1 5 ARG NH1 N 8.868 1.545 -4.974 1.00 . A A . 5 ARG NH1 1 1 20 2425 1 1 5 ARG NH2 N 11.049 2.133 -5.023 1.00 . A A . 5 ARG NH2 1 1 20 2426 1 1 5 ARG O O 8.767 1.436 3.175 1.00 . A A . 5 ARG O 1 1 20 2427 1 1 6 ALA C C 6.755 2.315 4.760 1.00 . A A . 6 ALA C 1 1 20 2428 1 1 6 ALA CA C 6.743 3.194 3.508 1.00 . A A . 6 ALA CA 1 1 20 2429 1 1 6 ALA CB C 5.365 3.824 3.307 1.00 . A A . 6 ALA CB 1 1 20 2430 1 1 6 ALA H H 6.349 2.407 1.538 1.00 . A A . 6 ALA H 1 1 20 2431 1 1 6 ALA HA H 7.496 3.964 3.577 1.00 . A A . 6 ALA HA 1 1 20 2432 1 1 6 ALA HB1 H 5.362 4.402 2.394 1.00 . A A . 6 ALA HB1 1 1 20 2433 1 1 6 ALA HB2 H 5.138 4.470 4.143 1.00 . A A . 6 ALA HB2 1 1 20 2434 1 1 6 ALA HB3 H 4.619 3.046 3.242 1.00 . A A . 6 ALA HB3 1 1 20 2435 1 1 6 ALA N N 6.968 2.349 2.294 1.00 . A A . 6 ALA N 1 1 20 2436 1 1 6 ALA O O 7.187 2.725 5.820 1.00 . A A . 6 ALA O 1 1 20 2437 1 1 7 GLN C C 7.326 -0.933 5.583 1.00 . A A . 7 GLN C 1 1 20 2438 1 1 7 GLN CA C 6.288 0.172 5.799 1.00 . A A . 7 GLN CA 1 1 20 2439 1 1 7 GLN CB C 4.876 -0.414 5.832 1.00 . A A . 7 GLN CB 1 1 20 2440 1 1 7 GLN CD C 4.767 -0.485 8.328 1.00 . A A . 7 GLN CD 1 1 20 2441 1 1 7 GLN CG C 4.730 -1.327 7.051 1.00 . A A . 7 GLN CG 1 1 20 2442 1 1 7 GLN H H 5.965 0.793 3.764 1.00 . A A . 7 GLN H 1 1 20 2443 1 1 7 GLN HA H 6.489 0.709 6.712 1.00 . A A . 7 GLN HA 1 1 20 2444 1 1 7 GLN HB2 H 4.154 0.389 5.895 1.00 . A A . 7 GLN HB2 1 1 20 2445 1 1 7 GLN HB3 H 4.702 -0.986 4.933 1.00 . A A . 7 GLN HB3 1 1 20 2446 1 1 7 GLN HE21 H 2.799 -0.225 8.381 1.00 . A A . 7 GLN HE21 1 1 20 2447 1 1 7 GLN HE22 H 3.664 0.512 9.643 1.00 . A A . 7 GLN HE22 1 1 20 2448 1 1 7 GLN HG2 H 3.789 -1.856 6.994 1.00 . A A . 7 GLN HG2 1 1 20 2449 1 1 7 GLN HG3 H 5.542 -2.038 7.067 1.00 . A A . 7 GLN HG3 1 1 20 2450 1 1 7 GLN N N 6.295 1.100 4.634 1.00 . A A . 7 GLN N 1 1 20 2451 1 1 7 GLN NE2 N 3.650 -0.028 8.826 1.00 . A A . 7 GLN NE2 1 1 20 2452 1 1 7 GLN O O 7.813 -1.534 6.522 1.00 . A A . 7 GLN O 1 1 20 2453 1 1 7 GLN OE1 O 5.822 -0.242 8.878 1.00 . A A . 7 GLN OE1 1 1 20 2454 1 1 8 GLY C C 7.963 -3.537 3.610 1.00 . A A . 8 GLY C 1 1 20 2455 1 1 8 GLY CA C 8.676 -2.262 4.062 1.00 . A A . 8 GLY CA 1 1 20 2456 1 1 8 GLY H H 7.264 -0.703 3.610 1.00 . A A . 8 GLY H 1 1 20 2457 1 1 8 GLY HA2 H 9.342 -1.922 3.280 1.00 . A A . 8 GLY HA2 1 1 20 2458 1 1 8 GLY HA3 H 9.246 -2.469 4.955 1.00 . A A . 8 GLY HA3 1 1 20 2459 1 1 8 GLY N N 7.669 -1.202 4.350 1.00 . A A . 8 GLY N 1 1 20 2460 1 1 8 GLY O O 8.229 -4.616 4.101 1.00 . A A . 8 GLY O 1 1 20 2461 1 1 9 MET C C 6.533 -4.793 0.677 1.00 . A A . 9 MET C 1 1 20 2462 1 1 9 MET CA C 6.327 -4.624 2.185 1.00 . A A . 9 MET CA 1 1 20 2463 1 1 9 MET CB C 4.855 -4.346 2.497 1.00 . A A . 9 MET CB 1 1 20 2464 1 1 9 MET CE C 3.419 -5.742 5.875 1.00 . A A . 9 MET CE 1 1 20 2465 1 1 9 MET CG C 4.669 -4.216 4.009 1.00 . A A . 9 MET CG 1 1 20 2466 1 1 9 MET H H 6.862 -2.539 2.291 1.00 . A A . 9 MET H 1 1 20 2467 1 1 9 MET HA H 6.655 -5.505 2.712 1.00 . A A . 9 MET HA 1 1 20 2468 1 1 9 MET HB2 H 4.553 -3.427 2.016 1.00 . A A . 9 MET HB2 1 1 20 2469 1 1 9 MET HB3 H 4.249 -5.160 2.130 1.00 . A A . 9 MET HB3 1 1 20 2470 1 1 9 MET HE1 H 3.293 -6.684 6.389 1.00 . A A . 9 MET HE1 1 1 20 2471 1 1 9 MET HE2 H 2.537 -5.532 5.292 1.00 . A A . 9 MET HE2 1 1 20 2472 1 1 9 MET HE3 H 3.571 -4.949 6.595 1.00 . A A . 9 MET HE3 1 1 20 2473 1 1 9 MET HG2 H 5.411 -3.540 4.408 1.00 . A A . 9 MET HG2 1 1 20 2474 1 1 9 MET HG3 H 3.682 -3.831 4.219 1.00 . A A . 9 MET HG3 1 1 20 2475 1 1 9 MET N N 7.059 -3.419 2.673 1.00 . A A . 9 MET N 1 1 20 2476 1 1 9 MET O O 5.654 -4.506 -0.110 1.00 . A A . 9 MET O 1 1 20 2477 1 1 9 MET SD S 4.858 -5.843 4.782 1.00 . A A . 9 MET SD 1 1 20 2478 1 1 10 NH2 HN1 H 8.385 -5.485 0.870 1.00 . A A . 10 NH2 HN1 1 1 20 2479 1 1 10 NH2 HN2 H 7.818 -5.364 -0.725 1.00 . A A . 10 NH2 HN2 1 1 20 2480 1 1 10 NH2 N N 7.673 -5.252 0.238 1.00 . A A . 10 NH2 N 1 1 stop_ save_
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