NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
640800 | 6h7q | 34306 | cing | 4-filtered-FRED | STAR | entry | full | 116 |
data_FRED_restraints_with_modified_coordinates_PDB_code_6h7q # This FRED archive file contains, for PDB entry <6h7q>: # # - 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_6h7q _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 6h7q _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "not present" _Assembly.Molecular_mass 1607.77 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 $Trpzip2 A . 1 1 stop_ save_ save_Trpzip2 _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name Trpzip2 _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code SWTWENGKWTWKX _Entity.Number_of_monomers 13 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 TRP . 1 1 3 THR . 1 1 4 TRP . 1 1 5 GLU . 1 1 6 ASN . 1 1 7 GLY . 1 1 8 LYS . 1 1 9 TRP . 1 1 10 THR . 1 1 11 TRP . 1 1 12 LYS . 1 1 13 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 TRP 2 2 1 1 THR 3 3 1 1 TRP 4 4 1 1 GLU 5 5 1 1 ASN 6 6 1 1 GLY 7 7 1 1 LYS 8 8 1 1 TRP 9 9 1 1 THR 10 10 1 1 TRP 11 11 1 1 LYS 12 12 1 1 NH2 13 13 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_3_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 69 1 . . . 1 1 70 1 . . . 1 1 71 1 . . . 1 1 72 1 . . . 1 1 73 1 . . . 1 1 74 1 . . . 1 1 75 1 . . . 1 1 76 1 . . . 1 1 77 1 . . . 1 1 78 1 . . . 1 1 79 1 . . . 1 1 80 1 . . . 1 1 81 1 . . . 1 1 82 1 . . . 1 1 83 1 . . . 1 1 84 1 . . . 1 1 85 1 . . . 1 1 86 1 . . . 1 1 87 1 . . . 1 1 88 1 . . . 1 1 89 1 . . . 1 1 90 1 . . . 1 1 91 1 . . . 1 1 92 1 . . . 1 1 93 1 . . . 1 1 94 1 . . . 1 1 95 1 . . . 1 1 96 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 HA . 1 . HA 1 1 1 1 2 1 1 2 TRP H . 2 . H 1 1 2 1 1 1 1 1 SER HA . 1 . HA 1 1 2 1 2 1 1 2 TRP HD1 . 2 . HD1 1 1 3 1 1 1 1 1 SER HA . 1 . HA 1 1 3 1 2 1 1 11 TRP HE3 . 11 . HE3 1 1 4 1 1 1 1 1 SER HA . 1 . HA 1 1 4 1 2 1 1 11 TRP HH2 . 11 . HH2 1 1 5 1 1 1 1 1 SER HA . 1 . HA 1 1 5 1 2 1 1 11 TRP HZ3 . 11 . HZ3 1 1 6 1 1 1 1 2 TRP H . 2 . H 1 1 6 1 2 1 1 2 TRP HD1 . 2 . HD1 1 1 7 1 1 1 1 2 TRP HA . 2 . HA 1 1 7 1 2 1 1 2 TRP HE3 . 2 . HE3 1 1 8 1 1 1 1 2 TRP HA . 2 . HA 1 1 8 1 2 1 1 2 TRP HZ3 . 2 . HZ3 1 1 9 1 1 1 1 2 TRP HA . 2 . HA 1 1 9 1 2 1 1 3 THR H . 3 . H 1 1 10 1 1 1 1 2 TRP HA . 2 . HA 1 1 10 1 2 1 1 11 TRP HA . 11 . HA 1 1 11 1 1 1 1 2 TRP HA . 2 . HA 1 1 11 1 2 1 1 12 LYS H . 12 . H 1 1 12 1 1 1 1 2 TRP QB . 2 . HB2 1 1 12 1 2 1 1 2 TRP HE3 . 2 . HE3 1 1 13 1 1 1 1 2 TRP QB . 2 . HB2 1 1 13 1 2 1 1 9 TRP HE3 . 9 . HE3 1 1 14 1 1 1 1 2 TRP QB . 2 . HB2 1 1 14 1 2 1 1 9 TRP HZ3 . 9 . HZ3 1 1 15 1 1 1 1 2 TRP HB2 . 2 . HB3 1 1 15 1 2 1 1 2 TRP HD1 . 2 . HD1 1 1 16 1 1 1 1 2 TRP HB2 . 2 . HB3 1 1 16 1 2 1 1 9 TRP HE3 . 9 . HE3 1 1 17 1 1 1 1 2 TRP HB3 . 2 . HB2 1 1 17 1 2 1 1 2 TRP HE3 . 2 . HE3 1 1 18 1 1 1 1 2 TRP HB3 . 2 . HB2 1 1 18 1 2 1 1 9 TRP HZ3 . 9 . HZ3 1 1 19 1 1 1 1 2 TRP HD1 . 2 . HD1 1 1 19 1 2 1 1 11 TRP HE3 . 11 . HE3 1 1 20 1 1 1 1 2 TRP HD1 . 2 . HD1 1 1 20 1 2 1 1 11 TRP HZ3 . 11 . HZ3 1 1 21 1 1 1 1 2 TRP HE1 . 2 . HE1 1 1 21 1 2 1 1 11 TRP HE3 . 11 . HE3 1 1 22 1 1 1 1 2 TRP HE1 . 2 . HE1 1 1 22 1 2 1 1 11 TRP HZ3 . 11 . HZ3 1 1 23 1 1 1 1 2 TRP HE3 . 2 . HE3 1 1 23 1 2 1 1 3 THR H . 3 . H 1 1 24 1 1 1 1 2 TRP HE3 . 2 . HE3 1 1 24 1 2 1 1 10 THR H . 10 . H 1 1 25 1 1 1 1 2 TRP HE3 . 2 . HE3 1 1 25 1 2 1 1 11 TRP H . 11 . H 1 1 26 1 1 1 1 2 TRP HE3 . 2 . HE3 1 1 26 1 2 1 1 11 TRP HA . 11 . HA 1 1 27 1 1 1 1 2 TRP HH2 . 2 . HH2 1 1 27 1 2 1 1 11 TRP HB2 . 11 . HB3 1 1 28 1 1 1 1 2 TRP HZ3 . 2 . HZ3 1 1 28 1 1 1 1 9 TRP HH2 . 9 . HH2 1 1 28 1 2 1 1 4 TRP HB2 . 4 . HB3 1 1 28 1 2 1 1 11 TRP HB2 . 11 . HB3 1 1 29 1 1 1 1 2 TRP HZ3 . 2 . HZ3 1 1 29 1 2 1 1 11 TRP H . 11 . H 1 1 30 1 1 1 1 2 TRP HZ3 . 2 . HZ3 1 1 30 1 2 1 1 11 TRP HA . 11 . HA 1 1 31 1 1 1 1 2 TRP HZ3 . 2 . HZ3 1 1 31 1 2 1 1 11 TRP HB3 . 11 . HB2 1 1 32 1 1 1 1 3 THR H . 3 . H 1 1 32 1 2 1 1 3 THR HB . 3 . HB 1 1 33 1 1 1 1 3 THR H . 3 . H 1 1 33 1 2 1 1 9 TRP HE3 . 9 . HE3 1 1 34 1 1 1 1 3 THR H . 3 . H 1 1 34 1 2 1 1 10 THR H . 10 . H 1 1 35 1 1 1 1 3 THR MG . 3 . HG2# 1 1 35 1 2 1 1 12 LYS HB2 . 12 . HB3 1 1 35 1 2 1 1 12 LYS QD . 12 . HD2 1 1 36 1 1 1 1 4 TRP H . 4 . H 1 1 36 1 2 1 1 4 TRP HB2 . 4 . HB3 1 1 37 1 1 1 1 4 TRP H . 4 . H 1 1 37 1 2 1 1 4 TRP HB3 . 4 . HB2 1 1 38 1 1 1 1 4 TRP H . 4 . H 1 1 38 1 2 1 1 4 TRP HD1 . 4 . HD1 1 1 39 1 1 1 1 4 TRP H . 4 . H 1 1 39 1 2 1 1 9 TRP HZ3 . 9 . HZ3 1 1 40 1 1 1 1 4 TRP HA . 4 . HA 1 1 40 1 2 1 1 4 TRP HB2 . 4 . HB3 1 1 41 1 1 1 1 4 TRP HA . 4 . HA 1 1 41 1 2 1 1 4 TRP HE3 . 4 . HE3 1 1 42 1 1 1 1 4 TRP HA . 4 . HA 1 1 42 1 2 1 1 5 GLU H . 5 . H 1 1 43 1 1 1 1 4 TRP HA . 4 . HA 1 1 43 1 2 1 1 9 TRP HA . 9 . HA 1 1 44 1 1 1 1 4 TRP HA . 4 . HA 1 1 44 1 2 1 1 9 TRP HE3 . 9 . HE3 1 1 45 1 1 1 1 4 TRP HB2 . 4 . HB3 1 1 45 1 1 1 1 11 TRP HB2 . 11 . HB3 1 1 45 1 2 1 1 4 TRP HD1 . 4 . HD1 1 1 45 1 2 1 1 11 TRP HD1 . 11 . HD1 1 1 46 1 1 1 1 4 TRP HB2 . 4 . HB3 1 1 46 1 2 1 1 4 TRP HE3 . 4 . HE3 1 1 47 1 1 1 1 4 TRP HB2 . 4 . HB3 1 1 47 1 2 1 1 9 TRP HE3 . 9 . HE3 1 1 48 1 1 1 1 4 TRP HB2 . 4 . HB3 1 1 48 1 2 1 1 9 TRP HZ3 . 9 . HZ3 1 1 49 1 1 1 1 4 TRP HB3 . 4 . HB2 1 1 49 1 2 1 1 4 TRP HD1 . 4 . HD1 1 1 50 1 1 1 1 4 TRP HB3 . 4 . HB2 1 1 50 1 2 1 1 4 TRP HE3 . 4 . HE3 1 1 51 1 1 1 1 4 TRP HE3 . 4 . HE3 1 1 51 1 2 1 1 5 GLU H . 5 . H 1 1 52 1 1 1 1 4 TRP HE3 . 4 . HE3 1 1 52 1 2 1 1 9 TRP HA . 9 . HA 1 1 53 1 1 1 1 4 TRP HE3 . 4 . HE3 1 1 53 1 2 1 1 9 TRP HD1 . 9 . HD1 1 1 54 1 1 1 1 4 TRP HE3 . 4 . HE3 1 1 54 1 2 1 1 9 TRP HE1 . 9 . HE1 1 1 55 1 1 1 1 4 TRP HH2 . 4 . HH2 1 1 55 1 2 1 1 4 TRP HZ3 . 4 . HZ3 1 1 56 1 1 1 1 4 TRP HZ2 . 4 . HZ2 1 1 56 1 2 1 1 7 GLY HA2 . 7 . HA2 1 1 57 1 1 1 1 4 TRP HZ3 . 4 . HZ3 1 1 57 1 2 1 1 8 LYS HA . 8 . HA 1 1 58 1 1 1 1 4 TRP HZ3 . 4 . HZ3 1 1 58 1 2 1 1 9 TRP H . 9 . H 1 1 59 1 1 1 1 4 TRP HZ3 . 4 . HZ3 1 1 59 1 2 1 1 9 TRP HD1 . 9 . HD1 1 1 60 1 1 1 1 4 TRP HZ3 . 4 . HZ3 1 1 60 1 2 1 1 9 TRP HE1 . 9 . HE1 1 1 61 1 1 1 1 5 GLU H . 5 . H 1 1 61 1 2 1 1 8 LYS H . 8 . H 1 1 62 1 1 1 1 5 GLU HA . 5 . HA 1 1 62 1 2 1 1 6 ASN H . 6 . H 1 1 63 1 1 1 1 6 ASN H . 6 . H 1 1 63 1 2 1 1 6 ASN HA . 6 . HA 1 1 64 1 1 1 1 6 ASN H . 6 . H 1 1 64 1 2 1 1 7 GLY H . 7 . H 1 1 65 1 1 1 1 6 ASN HA . 6 . HA 1 1 65 1 2 1 1 6 ASN HD21 . 6 . HD21 1 1 66 1 1 1 1 6 ASN HA . 6 . HA 1 1 66 1 2 1 1 6 ASN HD22 . 6 . HD22 1 1 67 1 1 1 1 6 ASN HA . 6 . HA 1 1 67 1 2 1 1 7 GLY H . 7 . H 1 1 68 1 1 1 1 7 GLY H . 7 . H 1 1 68 1 2 1 1 7 GLY HA2 . 7 . HA2 1 1 69 1 1 1 1 7 GLY H . 7 . H 1 1 69 1 2 1 1 7 GLY HA3 . 7 . HA3 1 1 70 1 1 1 1 7 GLY H . 7 . H 1 1 70 1 2 1 1 8 LYS H . 8 . H 1 1 71 1 1 1 1 7 GLY HA2 . 7 . HA2 1 1 71 1 2 1 1 8 LYS H . 8 . H 1 1 72 1 1 1 1 7 GLY HA3 . 7 . HA3 1 1 72 1 2 1 1 8 LYS H . 8 . H 1 1 73 1 1 1 1 8 LYS H . 8 . H 1 1 73 1 2 1 1 8 LYS HA . 8 . HA 1 1 74 1 1 1 1 8 LYS H . 8 . H 1 1 74 1 2 1 1 8 LYS QB . 8 . HB2 1 1 75 1 1 1 1 8 LYS H . 8 . H 1 1 75 1 2 1 1 8 LYS HG3 . 8 . HG3 1 1 76 1 1 1 1 8 LYS HA . 8 . HA 1 1 76 1 2 1 1 9 TRP H . 9 . H 1 1 77 1 1 1 1 8 LYS QE . 8 . HE2 1 1 77 1 2 1 1 9 TRP H . 9 . H 1 1 78 1 1 1 1 9 TRP H . 9 . H 1 1 78 1 2 1 1 9 TRP HB2 . 9 . HB2 1 1 79 1 1 1 1 9 TRP H . 9 . H 1 1 79 1 2 1 1 9 TRP HB3 . 9 . HB3 1 1 80 1 1 1 1 9 TRP H . 9 . H 1 1 80 1 2 1 1 9 TRP HD1 . 9 . HD1 1 1 81 1 1 1 1 9 TRP HA . 9 . HA 1 1 81 1 2 1 1 9 TRP HB3 . 9 . HB3 1 1 82 1 1 1 1 9 TRP HA . 9 . HA 1 1 82 1 2 1 1 9 TRP HE3 . 9 . HE3 1 1 83 1 1 1 1 9 TRP HA . 9 . HA 1 1 83 1 2 1 1 10 THR H . 10 . H 1 1 84 1 1 1 1 9 TRP HB2 . 9 . HB2 1 1 84 1 2 1 1 9 TRP HD1 . 9 . HD1 1 1 85 1 1 1 1 9 TRP HE3 . 9 . HE3 1 1 85 1 2 1 1 10 THR H . 10 . H 1 1 86 1 1 1 1 10 THR H . 10 . H 1 1 86 1 2 1 1 10 THR HB . 10 . HB 1 1 87 1 1 1 1 10 THR HB . 10 . HB 1 1 87 1 2 1 1 12 LYS HB3 . 12 . HB2 1 1 88 1 1 1 1 11 TRP H . 11 . H 1 1 88 1 2 1 1 11 TRP HB2 . 11 . HB3 1 1 89 1 1 1 1 11 TRP H . 11 . H 1 1 89 1 2 1 1 11 TRP HB3 . 11 . HB2 1 1 90 1 1 1 1 11 TRP H . 11 . H 1 1 90 1 2 1 1 12 LYS HB2 . 12 . HB3 1 1 91 1 1 1 1 11 TRP HA . 11 . HA 1 1 91 1 2 1 1 11 TRP HE3 . 11 . HE3 1 1 92 1 1 1 1 11 TRP HA . 11 . HA 1 1 92 1 2 1 1 12 LYS H . 12 . H 1 1 93 1 1 1 1 11 TRP HB2 . 11 . HB3 1 1 93 1 2 1 1 11 TRP HE3 . 11 . HE3 1 1 94 1 1 1 1 11 TRP HB3 . 11 . HB2 1 1 94 1 2 1 1 11 TRP HD1 . 11 . HD1 1 1 95 1 1 1 1 11 TRP HH2 . 11 . HH2 1 1 95 1 2 1 1 11 TRP HZ3 . 11 . HZ3 1 1 96 1 1 1 1 12 LYS H . 12 . H 1 1 96 1 2 1 1 12 LYS HB3 . 12 . HB2 1 1 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 3.3 1.7 4.0 1 1 2 1 . . . . . 3.7 1.9 4.4 1 1 3 1 . . . . . 3.7 1.8 4.4 1 1 4 1 . . . . . 3.7 1.9 4.1 1 1 5 1 . . . . . 3.3 1.8 4.0 1 1 6 1 . . . . . 3.7 1.9 4.4 1 1 7 1 . . . . . 2.8 1.7 3.4 1 1 8 1 . . . . . 3.6 1.8 4.3 1 1 9 1 . . . . . 2.8 1.7 3.0 1 1 10 1 . . . . . 3.3 1.7 3.7 1 1 11 1 . . . . . 3.5 1.7 4.2 1 1 12 1 . . . . . 3.0 1.7 3.6 1 1 13 1 . . . . . 2.9 1.7 3.5 1 1 14 1 . . . . . 3.5 1.7 4.2 1 1 15 1 . . . . . 2.8 1.7 3.4 1 1 16 1 . . . . . 3.0 1.7 3.6 1 1 17 1 . . . . . 3.1 1.7 3.7 1 1 18 1 . . . . . 3.5 1.7 4.2 1 1 19 1 . . . . . 3.3 1.7 4.0 1 1 20 1 . . . . . 3.0 1.7 3.6 1 1 21 1 . . . . . 3.6 1.8 4.3 1 1 22 1 . . . . . 3.4 1.8 4.1 1 1 23 1 . . . . . 3.5 1.8 4.2 1 1 24 1 . . . . . 3.6 1.8 4.3 1 1 25 1 . . . . . 3.8 1.9 4.6 1 1 26 1 . . . . . 3.4 1.7 4.1 1 1 27 1 . . . . . 3.4 1.7 4.1 1 1 28 1 . . . . . 3.3 1.7 4.0 1 1 29 1 . . . . . 3.7 1.8 4.4 1 1 30 1 . . . . . 3.8 1.9 4.6 1 1 31 1 . . . . . 3.7 1.8 4.4 1 1 32 1 . . . . . 3.7 1.8 4.4 1 1 33 1 . . . . . 3.6 1.8 4.3 1 1 34 1 . . . . . 3.4 1.7 4.0 1 1 35 1 . . . . . 3.4 1.7 4.1 1 1 36 1 . . . . . 3.0 1.7 3.6 1 1 37 1 . . . . . 3.1 1.8 3.7 1 1 38 1 . . . . . 3.6 1.8 4.3 1 1 39 1 . . . . . 3.5 1.8 4.2 1 1 40 1 . . . . . 2.9 1.8 3.5 1 1 41 1 . . . . . 2.9 1.7 3.5 1 1 42 1 . . . . . 3.3 1.7 4.0 1 1 43 1 . . . . . 3.2 1.7 3.8 1 1 44 1 . . . . . 3.4 1.7 4.1 1 1 45 1 . . . . . 2.9 1.8 3.5 1 1 46 1 . . . . . 3.2 1.8 3.8 1 1 47 1 . . . . . 3.5 1.7 4.2 1 1 48 1 . . . . . 3.4 1.7 4.1 1 1 49 1 . . . . . 2.8 1.7 3.4 1 1 50 1 . . . . . 3.4 1.7 4.1 1 1 51 1 . . . . . 3.8 1.9 4.6 1 1 52 1 . . . . . 3.2 1.8 3.8 1 1 53 1 . . . . . 3.4 1.8 4.1 1 1 54 1 . . . . . 3.8 1.9 4.6 1 1 55 1 . . . . . 2.5 1.8 3.0 1 1 56 1 . . . . . 3.8 1.9 4.6 1 1 57 1 . . . . . 3.3 1.7 4.0 1 1 58 1 . . . . . 3.5 1.8 4.2 1 1 59 1 . . . . . 3.1 1.7 3.5 1 1 60 1 . . . . . 3.4 1.7 4.1 1 1 61 1 . . . . . 3.3 1.7 4.0 1 1 62 1 . . . . . 3.2 1.7 3.7 1 1 63 1 . . . . . 3.0 1.7 3.5 1 1 64 1 . . . . . 3.9 2.0 4.7 1 1 65 1 . . . . . 3.4 1.8 4.1 1 1 66 1 . . . . . 2.9 1.7 3.5 1 1 67 1 . . . . . 3.3 1.8 3.6 1 1 68 1 . . . . . 3.0 1.7 3.6 1 1 69 1 . . . . . 2.7 1.8 3.2 1 1 70 1 . . . . . 3.1 1.8 3.7 1 1 71 1 . . . . . 3.4 1.9 4.1 1 1 72 1 . . . . . 3.3 1.7 4.0 1 1 73 1 . . . . . 3.0 1.7 3.6 1 1 74 1 . . . . . 3.7 1.9 4.4 1 1 75 1 . . . . . 3.7 1.9 4.4 1 1 76 1 . . . . . 2.8 1.8 3.4 1 1 77 1 . . . . . 3.2 1.7 3.8 1 1 78 1 . . . . . 3.1 1.7 3.7 1 1 79 1 . . . . . 3.1 1.8 3.7 1 1 80 1 . . . . . 3.3 1.7 4.0 1 1 81 1 . . . . . 2.9 1.7 3.5 1 1 82 1 . . . . . 2.7 1.7 3.2 1 1 83 1 . . . . . 3.0 1.8 3.0 1 1 84 1 . . . . . 2.8 1.7 3.4 1 1 85 1 . . . . . 3.4 1.8 4.1 1 1 86 1 . . . . . 3.4 1.8 4.1 1 1 87 1 . . . . . 3.7 1.8 4.4 1 1 88 1 . . . . . 3.1 1.8 3.7 1 1 89 1 . . . . . 3.5 1.7 3.7 1 1 90 1 . . . . . 3.6 1.8 4.3 1 1 91 1 . . . . . 3.3 1.8 4.0 1 1 92 1 . . . . . 2.9 1.8 3.0 1 1 93 1 . . . . . 3.2 1.7 3.8 1 1 94 1 . . . . . 2.7 1.8 3.2 1 1 95 1 . . . . . 2.5 1.8 3.0 1 1 96 1 . . . . . 3.5 1.7 4.2 1 1 stop_ save_ save_CNS/XPLOR_dihedral_2 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID 1 _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID . _Torsion_angle_constraint_list.Block_ID . loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 . 1 1 1 SER C 1 1 2 TRP N 1 1 2 TRP CA 1 1 2 TRP C -108.832 -76.384 . 1 . C . 2 . N . 2 . CA . 2 . C 1 1 2 . 1 1 2 TRP N 1 1 2 TRP CA 1 1 2 TRP C 1 1 3 THR N 130.629 158.503 . 2 . N . 2 . CA . 2 . C . 3 . N 1 1 3 . 1 1 2 TRP C 1 1 3 THR N 1 1 3 THR CA 1 1 3 THR C -131.137 -91.33299 . 2 . C . 3 . N . 3 . CA . 3 . C 1 1 4 . 1 1 3 THR N 1 1 3 THR CA 1 1 3 THR C 1 1 4 TRP N 129.293 170.331 . 3 . N . 3 . CA . 3 . C . 4 . N 1 1 5 . 1 1 3 THR C 1 1 4 TRP N 1 1 4 TRP CA 1 1 4 TRP C -112.088 -76.428 . 3 . C . 4 . N . 4 . CA . 4 . C 1 1 6 . 1 1 4 TRP N 1 1 4 TRP CA 1 1 4 TRP C 1 1 5 GLU N 129.92 149.556 . 4 . N . 4 . CA . 4 . C . 5 . N 1 1 7 . 1 1 4 TRP C 1 1 5 GLU N 1 1 5 GLU CA 1 1 5 GLU C -140.253 -84.18099 . 4 . C . 5 . N . 5 . CA . 5 . C 1 1 8 . 1 1 5 GLU N 1 1 5 GLU CA 1 1 5 GLU C 1 1 6 ASN N 110.64 160.51799 . 5 . N . 5 . CA . 5 . C . 6 . N 1 1 9 . 1 1 5 GLU C 1 1 6 ASN N 1 1 6 ASN CA 1 1 6 ASN C 45.873 58.369 . 5 . C . 6 . N . 6 . CA . 6 . C 1 1 10 . 1 1 6 ASN N 1 1 6 ASN CA 1 1 6 ASN C 1 1 7 GLY N 36.790997 48.103 . 6 . N . 6 . CA . 6 . C . 7 . N 1 1 11 . 1 1 6 ASN C 1 1 7 GLY N 1 1 7 GLY CA 1 1 7 GLY C 64.26 94.57199 . 6 . C . 7 . N . 7 . CA . 7 . C 1 1 12 . 1 1 7 GLY N 1 1 7 GLY CA 1 1 7 GLY C 1 1 8 LYS N -18.56 20.126 . 7 . N . 7 . CA . 7 . C . 8 . N 1 1 13 . 1 1 7 GLY C 1 1 8 LYS N 1 1 8 LYS CA 1 1 8 LYS C -167.927 -46.481 . 7 . C . 8 . N . 8 . CA . 8 . C 1 1 14 . 1 1 8 LYS N 1 1 8 LYS CA 1 1 8 LYS C 1 1 9 TRP N 122.731 158.06898 . 8 . N . 8 . CA . 8 . C . 9 . N 1 1 15 . 1 1 8 LYS C 1 1 9 TRP N 1 1 9 TRP CA 1 1 9 TRP C -104.56799 -78.94 . 8 . C . 9 . N . 9 . CA . 9 . C 1 1 16 . 1 1 9 TRP N 1 1 9 TRP CA 1 1 9 TRP C 1 1 10 THR N 126.840004 149.654 . 9 . N . 9 . CA . 9 . C . 10 . N 1 1 17 . 1 1 9 TRP C 1 1 10 THR N 1 1 10 THR CA 1 1 10 THR C -128.106 -101.744 . 9 . C . 10 . N . 10 . CA . 10 . C 1 1 18 . 1 1 10 THR N 1 1 10 THR CA 1 1 10 THR C 1 1 11 TRP N 120.573 150.173 . 10 . N . 10 . CA . 10 . C . 11 . N 1 1 19 . 1 1 10 THR C 1 1 11 TRP N 1 1 11 TRP CA 1 1 11 TRP C -116.79499 -78.905 . 10 . C . 11 . N . 11 . CA . 11 . C 1 1 20 . 1 1 11 TRP N 1 1 11 TRP CA 1 1 11 TRP C 1 1 12 LYS N 100.805 148.333 . 11 . N . 11 . CA . 11 . C . 12 . N 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 -4.489 4.197 1.994 1.00 . A A . 1 SER C 1 1 1 2 1 1 1 SER CA C -5.483 5.343 2.141 1.00 . A A . 1 SER CA 1 1 1 3 1 1 1 SER CB C -5.757 5.983 0.779 1.00 . A A . 1 SER CB 1 1 1 4 1 1 1 SER H1 H -4.298 6.981 2.527 1.00 . A A . 1 SER H1 1 1 1 5 1 1 1 SER H2 H -4.490 5.907 3.852 1.00 . A A . 1 SER H2 1 1 1 6 1 1 1 SER H3 H -5.776 6.948 3.395 1.00 . A A . 1 SER H3 1 1 1 7 1 1 1 SER HA H -6.407 4.955 2.545 1.00 . A A . 1 SER HA 1 1 1 8 1 1 1 SER HB2 H -4.888 6.543 0.465 1.00 . A A . 1 SER HB2 1 1 1 9 1 1 1 SER HB3 H -5.967 5.209 0.056 1.00 . A A . 1 SER HB3 1 1 1 10 1 1 1 SER HG H -6.725 7.600 0.244 1.00 . A A . 1 SER HG 1 1 1 11 1 1 1 SER N N -4.965 6.389 3.062 1.00 . A A . 1 SER N 1 1 1 12 1 1 1 SER O O -3.426 4.198 2.614 1.00 . A A . 1 SER O 1 1 1 13 1 1 1 SER OG O -6.867 6.862 0.842 1.00 . A A . 1 SER OG 1 1 1 14 1 1 2 TRP C C -3.393 2.085 -0.455 1.00 . A A . 2 TRP C 1 1 1 15 1 1 2 TRP CA C -3.997 2.057 0.944 1.00 . A A . 2 TRP CA 1 1 1 16 1 1 2 TRP CB C -4.802 0.775 1.141 1.00 . A A . 2 TRP CB 1 1 1 17 1 1 2 TRP CD1 C -6.274 0.442 3.216 1.00 . A A . 2 TRP CD1 1 1 1 18 1 1 2 TRP CD2 C -4.080 0.226 3.573 1.00 . A A . 2 TRP CD2 1 1 1 19 1 1 2 TRP CE2 C -4.749 0.017 4.791 1.00 . A A . 2 TRP CE2 1 1 1 20 1 1 2 TRP CE3 C -2.692 0.145 3.540 1.00 . A A . 2 TRP CE3 1 1 1 21 1 1 2 TRP CG C -5.066 0.487 2.582 1.00 . A A . 2 TRP CG 1 1 1 22 1 1 2 TRP CH2 C -2.701 -0.339 5.910 1.00 . A A . 2 TRP CH2 1 1 1 23 1 1 2 TRP CZ2 C -4.067 -0.268 5.972 1.00 . A A . 2 TRP CZ2 1 1 1 24 1 1 2 TRP CZ3 C -2.015 -0.134 4.704 1.00 . A A . 2 TRP CZ3 1 1 1 25 1 1 2 TRP H H -5.711 3.274 0.712 1.00 . A A . 2 TRP H 1 1 1 26 1 1 2 TRP HA H -3.194 2.078 1.674 1.00 . A A . 2 TRP HA 1 1 1 27 1 1 2 TRP HB2 H -5.748 0.863 0.631 1.00 . A A . 2 TRP HB2 1 1 1 28 1 1 2 TRP HB3 H -4.251 -0.057 0.729 1.00 . A A . 2 TRP HB3 1 1 1 29 1 1 2 TRP HD1 H -7.222 0.609 2.731 1.00 . A A . 2 TRP HD1 1 1 1 30 1 1 2 TRP HE1 H -6.805 0.061 5.215 1.00 . A A . 2 TRP HE1 1 1 1 31 1 1 2 TRP HE3 H -2.148 0.298 2.621 1.00 . A A . 2 TRP HE3 1 1 1 32 1 1 2 TRP HH2 H -2.128 -0.556 6.800 1.00 . A A . 2 TRP HH2 1 1 1 33 1 1 2 TRP HZ2 H -4.583 -0.428 6.907 1.00 . A A . 2 TRP HZ2 1 1 1 34 1 1 2 TRP HZ3 H -0.941 -0.193 4.691 1.00 . A A . 2 TRP HZ3 1 1 1 35 1 1 2 TRP N N -4.848 3.217 1.173 1.00 . A A . 2 TRP N 1 1 1 36 1 1 2 TRP NE1 N -6.092 0.153 4.549 1.00 . A A . 2 TRP NE1 1 1 1 37 1 1 2 TRP O O -4.099 2.276 -1.445 1.00 . A A . 2 TRP O 1 1 1 38 1 1 3 THR C C -0.655 0.541 -1.977 1.00 . A A . 3 THR C 1 1 1 39 1 1 3 THR CA C -1.374 1.871 -1.795 1.00 . A A . 3 THR CA 1 1 1 40 1 1 3 THR CB C -0.370 3.025 -1.857 1.00 . A A . 3 THR CB 1 1 1 41 1 1 3 THR CG2 C -0.318 3.703 -3.209 1.00 . A A . 3 THR CG2 1 1 1 42 1 1 3 THR H H -1.582 1.730 0.301 1.00 . A A . 3 THR H 1 1 1 43 1 1 3 THR HA H -2.100 1.989 -2.586 1.00 . A A . 3 THR HA 1 1 1 44 1 1 3 THR HB H 0.617 2.641 -1.641 1.00 . A A . 3 THR HB 1 1 1 45 1 1 3 THR HG1 H -1.619 4.219 -0.936 1.00 . A A . 3 THR HG1 1 1 1 46 1 1 3 THR HG21 H 0.145 4.673 -3.107 1.00 . A A . 3 THR HG21 1 1 1 47 1 1 3 THR HG22 H -1.321 3.820 -3.591 1.00 . A A . 3 THR HG22 1 1 1 48 1 1 3 THR HG23 H 0.260 3.098 -3.893 1.00 . A A . 3 THR HG23 1 1 1 49 1 1 3 THR N N -2.084 1.883 -0.525 1.00 . A A . 3 THR N 1 1 1 50 1 1 3 THR O O 0.070 0.092 -1.090 1.00 . A A . 3 THR O 1 1 1 51 1 1 3 THR OG1 O -0.682 4.015 -0.893 1.00 . A A . 3 THR OG1 1 1 1 52 1 1 4 TRP C C 1.071 -1.160 -4.162 1.00 . A A . 4 TRP C 1 1 1 53 1 1 4 TRP CA C -0.239 -1.373 -3.406 1.00 . A A . 4 TRP CA 1 1 1 54 1 1 4 TRP CB C -1.232 -2.219 -4.210 1.00 . A A . 4 TRP CB 1 1 1 55 1 1 4 TRP CD1 C -0.074 -3.354 -6.185 1.00 . A A . 4 TRP CD1 1 1 1 56 1 1 4 TRP CD2 C -0.586 -4.734 -4.501 1.00 . A A . 4 TRP CD2 1 1 1 57 1 1 4 TRP CE2 C 0.026 -5.483 -5.522 1.00 . A A . 4 TRP CE2 1 1 1 58 1 1 4 TRP CE3 C -0.996 -5.387 -3.336 1.00 . A A . 4 TRP CE3 1 1 1 59 1 1 4 TRP CG C -0.640 -3.377 -4.947 1.00 . A A . 4 TRP CG 1 1 1 60 1 1 4 TRP CH2 C -0.174 -7.469 -4.259 1.00 . A A . 4 TRP CH2 1 1 1 61 1 1 4 TRP CZ2 C 0.235 -6.855 -5.413 1.00 . A A . 4 TRP CZ2 1 1 1 62 1 1 4 TRP CZ3 C -0.785 -6.747 -3.226 1.00 . A A . 4 TRP CZ3 1 1 1 63 1 1 4 TRP H H -1.456 0.308 -3.795 1.00 . A A . 4 TRP H 1 1 1 64 1 1 4 TRP HA H -0.031 -1.863 -2.466 1.00 . A A . 4 TRP HA 1 1 1 65 1 1 4 TRP HB2 H -1.977 -2.612 -3.536 1.00 . A A . 4 TRP HB2 1 1 1 66 1 1 4 TRP HB3 H -1.720 -1.582 -4.934 1.00 . A A . 4 TRP HB3 1 1 1 67 1 1 4 TRP HD1 H 0.032 -2.462 -6.787 1.00 . A A . 4 TRP HD1 1 1 1 68 1 1 4 TRP HE1 H 0.764 -4.861 -7.387 1.00 . A A . 4 TRP HE1 1 1 1 69 1 1 4 TRP HE3 H -1.468 -4.846 -2.530 1.00 . A A . 4 TRP HE3 1 1 1 70 1 1 4 TRP HH2 H -0.030 -8.532 -4.132 1.00 . A A . 4 TRP HH2 1 1 1 71 1 1 4 TRP HZ2 H 0.705 -7.426 -6.200 1.00 . A A . 4 TRP HZ2 1 1 1 72 1 1 4 TRP HZ3 H -1.092 -7.267 -2.330 1.00 . A A . 4 TRP HZ3 1 1 1 73 1 1 4 TRP N N -0.864 -0.092 -3.124 1.00 . A A . 4 TRP N 1 1 1 74 1 1 4 TRP NE1 N 0.329 -4.618 -6.542 1.00 . A A . 4 TRP NE1 1 1 1 75 1 1 4 TRP O O 1.104 -0.460 -5.174 1.00 . A A . 4 TRP O 1 1 1 76 1 1 5 GLU C C 4.288 -2.880 -4.242 1.00 . A A . 5 GLU C 1 1 1 77 1 1 5 GLU CA C 3.461 -1.596 -4.284 1.00 . A A . 5 GLU CA 1 1 1 78 1 1 5 GLU CB C 4.236 -0.464 -3.607 1.00 . A A . 5 GLU CB 1 1 1 79 1 1 5 GLU CD C 5.007 1.819 -4.368 1.00 . A A . 5 GLU CD 1 1 1 80 1 1 5 GLU CG C 5.124 0.319 -4.561 1.00 . A A . 5 GLU CG 1 1 1 81 1 1 5 GLU H H 2.072 -2.285 -2.838 1.00 . A A . 5 GLU H 1 1 1 82 1 1 5 GLU HA H 3.297 -1.328 -5.316 1.00 . A A . 5 GLU HA 1 1 1 83 1 1 5 GLU HB2 H 3.530 0.223 -3.160 1.00 . A A . 5 GLU HB2 1 1 1 84 1 1 5 GLU HB3 H 4.862 -0.885 -2.831 1.00 . A A . 5 GLU HB3 1 1 1 85 1 1 5 GLU HG2 H 6.151 0.030 -4.396 1.00 . A A . 5 GLU HG2 1 1 1 86 1 1 5 GLU HG3 H 4.842 0.078 -5.575 1.00 . A A . 5 GLU HG3 1 1 1 87 1 1 5 GLU N N 2.153 -1.750 -3.655 1.00 . A A . 5 GLU N 1 1 1 88 1 1 5 GLU O O 4.503 -3.461 -3.178 1.00 . A A . 5 GLU O 1 1 1 89 1 1 5 GLU OE1 O 6.018 2.450 -3.992 1.00 . A A . 5 GLU OE1 1 1 1 90 1 1 5 GLU OE2 O 3.906 2.362 -4.595 1.00 . A A . 5 GLU OE2 1 1 1 91 1 1 6 ASN C C 5.086 -5.673 -4.745 1.00 . A A . 6 ASN C 1 1 1 92 1 1 6 ASN CA C 5.625 -4.476 -5.527 1.00 . A A . 6 ASN CA 1 1 1 93 1 1 6 ASN CB C 7.044 -4.153 -5.057 1.00 . A A . 6 ASN CB 1 1 1 94 1 1 6 ASN CG C 8.028 -5.257 -5.391 1.00 . A A . 6 ASN CG 1 1 1 95 1 1 6 ASN H H 4.591 -2.761 -6.210 1.00 . A A . 6 ASN H 1 1 1 96 1 1 6 ASN HA H 5.664 -4.741 -6.572 1.00 . A A . 6 ASN HA 1 1 1 97 1 1 6 ASN HB2 H 7.378 -3.243 -5.538 1.00 . A A . 6 ASN HB2 1 1 1 98 1 1 6 ASN HB3 H 7.039 -4.012 -3.984 1.00 . A A . 6 ASN HB3 1 1 1 99 1 1 6 ASN HD21 H 7.631 -5.060 -7.329 1.00 . A A . 6 ASN HD21 1 1 1 100 1 1 6 ASN HD22 H 8.794 -6.270 -6.921 1.00 . A A . 6 ASN HD22 1 1 1 101 1 1 6 ASN N N 4.779 -3.289 -5.406 1.00 . A A . 6 ASN N 1 1 1 102 1 1 6 ASN ND2 N 8.165 -5.559 -6.677 1.00 . A A . 6 ASN ND2 1 1 1 103 1 1 6 ASN O O 5.862 -6.459 -4.199 1.00 . A A . 6 ASN O 1 1 1 104 1 1 6 ASN OD1 O 8.658 -5.832 -4.503 1.00 . A A . 6 ASN OD1 1 1 1 105 1 1 7 GLY C C 2.936 -6.708 -2.531 1.00 . A A . 7 GLY C 1 1 1 106 1 1 7 GLY CA C 3.191 -6.963 -4.006 1.00 . A A . 7 GLY CA 1 1 1 107 1 1 7 GLY H H 3.190 -5.190 -5.173 1.00 . A A . 7 GLY H 1 1 1 108 1 1 7 GLY HA2 H 2.261 -7.222 -4.476 1.00 . A A . 7 GLY HA2 1 1 1 109 1 1 7 GLY HA3 H 3.866 -7.801 -4.098 1.00 . A A . 7 GLY HA3 1 1 1 110 1 1 7 GLY N N 3.769 -5.830 -4.708 1.00 . A A . 7 GLY N 1 1 1 111 1 1 7 GLY O O 2.822 -7.656 -1.753 1.00 . A A . 7 GLY O 1 1 1 112 1 1 8 LYS C C 1.736 -3.884 -0.557 1.00 . A A . 8 LYS C 1 1 1 113 1 1 8 LYS CA C 2.615 -5.122 -0.727 1.00 . A A . 8 LYS CA 1 1 1 114 1 1 8 LYS CB C 3.948 -4.917 -0.003 1.00 . A A . 8 LYS CB 1 1 1 115 1 1 8 LYS CD C 3.755 -5.644 2.395 1.00 . A A . 8 LYS CD 1 1 1 116 1 1 8 LYS CE C 3.334 -6.879 3.174 1.00 . A A . 8 LYS CE 1 1 1 117 1 1 8 LYS CG C 4.264 -6.007 1.009 1.00 . A A . 8 LYS CG 1 1 1 118 1 1 8 LYS H H 2.953 -4.720 -2.785 1.00 . A A . 8 LYS H 1 1 1 119 1 1 8 LYS HA H 2.107 -5.965 -0.282 1.00 . A A . 8 LYS HA 1 1 1 120 1 1 8 LYS HB2 H 4.742 -4.896 -0.735 1.00 . A A . 8 LYS HB2 1 1 1 121 1 1 8 LYS HB3 H 3.924 -3.970 0.517 1.00 . A A . 8 LYS HB3 1 1 1 122 1 1 8 LYS HD2 H 4.542 -5.141 2.936 1.00 . A A . 8 LYS HD2 1 1 1 123 1 1 8 LYS HD3 H 2.906 -4.985 2.295 1.00 . A A . 8 LYS HD3 1 1 1 124 1 1 8 LYS HE2 H 2.267 -7.010 3.068 1.00 . A A . 8 LYS HE2 1 1 1 125 1 1 8 LYS HE3 H 3.844 -7.739 2.765 1.00 . A A . 8 LYS HE3 1 1 1 126 1 1 8 LYS HG2 H 3.792 -6.925 0.693 1.00 . A A . 8 LYS HG2 1 1 1 127 1 1 8 LYS HG3 H 5.334 -6.145 1.053 1.00 . A A . 8 LYS HG3 1 1 1 128 1 1 8 LYS HZ1 H 3.738 -5.761 4.892 1.00 . A A . 8 LYS HZ1 1 1 1 129 1 1 8 LYS HZ2 H 4.571 -7.231 4.820 1.00 . A A . 8 LYS HZ2 1 1 1 130 1 1 8 LYS HZ3 H 2.922 -7.212 5.195 1.00 . A A . 8 LYS HZ3 1 1 1 131 1 1 8 LYS N N 2.851 -5.443 -2.131 1.00 . A A . 8 LYS N 1 1 1 132 1 1 8 LYS NZ N 3.664 -6.763 4.621 1.00 . A A . 8 LYS NZ 1 1 1 133 1 1 8 LYS O O 1.991 -2.837 -1.153 1.00 . A A . 8 LYS O 1 1 1 134 1 1 9 TRP C C 0.369 -2.008 1.642 1.00 . A A . 9 TRP C 1 1 1 135 1 1 9 TRP CA C -0.213 -2.918 0.561 1.00 . A A . 9 TRP CA 1 1 1 136 1 1 9 TRP CB C -1.563 -3.475 1.023 1.00 . A A . 9 TRP CB 1 1 1 137 1 1 9 TRP CD1 C -2.870 -5.030 -0.480 1.00 . A A . 9 TRP CD1 1 1 1 138 1 1 9 TRP CD2 C -3.198 -2.872 -0.945 1.00 . A A . 9 TRP CD2 1 1 1 139 1 1 9 TRP CE2 C -3.962 -3.643 -1.842 1.00 . A A . 9 TRP CE2 1 1 1 140 1 1 9 TRP CE3 C -3.249 -1.477 -1.044 1.00 . A A . 9 TRP CE3 1 1 1 141 1 1 9 TRP CG C -2.501 -3.791 -0.092 1.00 . A A . 9 TRP CG 1 1 1 142 1 1 9 TRP CH2 C -4.796 -1.703 -2.897 1.00 . A A . 9 TRP CH2 1 1 1 143 1 1 9 TRP CZ2 C -4.765 -3.069 -2.824 1.00 . A A . 9 TRP CZ2 1 1 1 144 1 1 9 TRP CZ3 C -4.049 -0.909 -2.019 1.00 . A A . 9 TRP CZ3 1 1 1 145 1 1 9 TRP H H 0.570 -4.878 0.727 1.00 . A A . 9 TRP H 1 1 1 146 1 1 9 TRP HA H -0.351 -2.350 -0.346 1.00 . A A . 9 TRP HA 1 1 1 147 1 1 9 TRP HB2 H -1.394 -4.386 1.574 1.00 . A A . 9 TRP HB2 1 1 1 148 1 1 9 TRP HB3 H -2.045 -2.768 1.664 1.00 . A A . 9 TRP HB3 1 1 1 149 1 1 9 TRP HD1 H -2.510 -5.926 -0.011 1.00 . A A . 9 TRP HD1 1 1 1 150 1 1 9 TRP HE1 H -4.144 -5.729 -1.998 1.00 . A A . 9 TRP HE1 1 1 1 151 1 1 9 TRP HE3 H -2.685 -0.846 -0.373 1.00 . A A . 9 TRP HE3 1 1 1 152 1 1 9 TRP HH2 H -5.406 -1.215 -3.643 1.00 . A A . 9 TRP HH2 1 1 1 153 1 1 9 TRP HZ2 H -5.347 -3.667 -3.509 1.00 . A A . 9 TRP HZ2 1 1 1 154 1 1 9 TRP HZ3 H -4.101 0.165 -2.111 1.00 . A A . 9 TRP HZ3 1 1 1 155 1 1 9 TRP N N 0.708 -4.017 0.279 1.00 . A A . 9 TRP N 1 1 1 156 1 1 9 TRP NE1 N -3.743 -4.961 -1.538 1.00 . A A . 9 TRP NE1 1 1 1 157 1 1 9 TRP O O 0.748 -2.474 2.716 1.00 . A A . 9 TRP O 1 1 1 158 1 1 10 THR C C 0.013 1.406 2.531 1.00 . A A . 10 THR C 1 1 1 159 1 1 10 THR CA C 0.984 0.251 2.307 1.00 . A A . 10 THR CA 1 1 1 160 1 1 10 THR CB C 2.327 0.789 1.812 1.00 . A A . 10 THR CB 1 1 1 161 1 1 10 THR CG2 C 3.505 -0.066 2.230 1.00 . A A . 10 THR CG2 1 1 1 162 1 1 10 THR H H 0.128 -0.398 0.481 1.00 . A A . 10 THR H 1 1 1 163 1 1 10 THR HA H 1.136 -0.261 3.246 1.00 . A A . 10 THR HA 1 1 1 164 1 1 10 THR HB H 2.478 1.780 2.216 1.00 . A A . 10 THR HB 1 1 1 165 1 1 10 THR HG1 H 2.283 -0.003 0.021 1.00 . A A . 10 THR HG1 1 1 1 166 1 1 10 THR HG21 H 3.237 -0.648 3.099 1.00 . A A . 10 THR HG21 1 1 1 167 1 1 10 THR HG22 H 4.345 0.570 2.467 1.00 . A A . 10 THR HG22 1 1 1 168 1 1 10 THR HG23 H 3.772 -0.729 1.421 1.00 . A A . 10 THR HG23 1 1 1 169 1 1 10 THR N N 0.442 -0.713 1.353 1.00 . A A . 10 THR N 1 1 1 170 1 1 10 THR O O -0.751 1.766 1.638 1.00 . A A . 10 THR O 1 1 1 171 1 1 10 THR OG1 O 2.341 0.878 0.398 1.00 . A A . 10 THR OG1 1 1 1 172 1 1 11 TRP C C -0.152 4.427 3.746 1.00 . A A . 11 TRP C 1 1 1 173 1 1 11 TRP CA C -0.832 3.100 4.057 1.00 . A A . 11 TRP CA 1 1 1 174 1 1 11 TRP CB C -1.229 3.046 5.534 1.00 . A A . 11 TRP CB 1 1 1 175 1 1 11 TRP CD1 C -1.824 5.279 6.640 1.00 . A A . 11 TRP CD1 1 1 1 176 1 1 11 TRP CD2 C -3.563 4.237 5.688 1.00 . A A . 11 TRP CD2 1 1 1 177 1 1 11 TRP CE2 C -4.017 5.442 6.257 1.00 . A A . 11 TRP CE2 1 1 1 178 1 1 11 TRP CE3 C -4.484 3.413 5.032 1.00 . A A . 11 TRP CE3 1 1 1 179 1 1 11 TRP CG C -2.155 4.151 5.944 1.00 . A A . 11 TRP CG 1 1 1 180 1 1 11 TRP CH2 C -6.228 5.017 5.543 1.00 . A A . 11 TRP CH2 1 1 1 181 1 1 11 TRP CZ2 C -5.350 5.842 6.190 1.00 . A A . 11 TRP CZ2 1 1 1 182 1 1 11 TRP CZ3 C -5.806 3.812 4.967 1.00 . A A . 11 TRP CZ3 1 1 1 183 1 1 11 TRP H H 0.681 1.658 4.398 1.00 . A A . 11 TRP H 1 1 1 184 1 1 11 TRP HA H -1.720 3.012 3.450 1.00 . A A . 11 TRP HA 1 1 1 185 1 1 11 TRP HB2 H -1.726 2.106 5.732 1.00 . A A . 11 TRP HB2 1 1 1 186 1 1 11 TRP HB3 H -0.336 3.114 6.143 1.00 . A A . 11 TRP HB3 1 1 1 187 1 1 11 TRP HD1 H -0.826 5.510 6.984 1.00 . A A . 11 TRP HD1 1 1 1 188 1 1 11 TRP HE1 H -2.956 6.918 7.303 1.00 . A A . 11 TRP HE1 1 1 1 189 1 1 11 TRP HE3 H -4.180 2.480 4.581 1.00 . A A . 11 TRP HE3 1 1 1 190 1 1 11 TRP HH2 H -7.270 5.288 5.468 1.00 . A A . 11 TRP HH2 1 1 1 191 1 1 11 TRP HZ2 H -5.691 6.768 6.629 1.00 . A A . 11 TRP HZ2 1 1 1 192 1 1 11 TRP HZ3 H -6.532 3.189 4.465 1.00 . A A . 11 TRP HZ3 1 1 1 193 1 1 11 TRP N N 0.048 1.985 3.726 1.00 . A A . 11 TRP N 1 1 1 194 1 1 11 TRP NE1 N -2.937 6.059 6.832 1.00 . A A . 11 TRP NE1 1 1 1 195 1 1 11 TRP O O 0.686 4.902 4.512 1.00 . A A . 11 TRP O 1 1 1 196 1 1 12 LYS C C -0.655 6.842 0.973 1.00 . A A . 12 LYS C 1 1 1 197 1 1 12 LYS CA C 0.065 6.288 2.198 1.00 . A A . 12 LYS CA 1 1 1 198 1 1 12 LYS CB C 1.553 6.106 1.893 1.00 . A A . 12 LYS CB 1 1 1 199 1 1 12 LYS CD C 2.573 8.078 0.714 1.00 . A A . 12 LYS CD 1 1 1 200 1 1 12 LYS CE C 2.381 9.581 0.834 1.00 . A A . 12 LYS CE 1 1 1 201 1 1 12 LYS CG C 2.367 7.380 2.050 1.00 . A A . 12 LYS CG 1 1 1 202 1 1 12 LYS H H -1.185 4.589 2.042 1.00 . A A . 12 LYS H 1 1 1 203 1 1 12 LYS HA H -0.044 6.987 3.013 1.00 . A A . 12 LYS HA 1 1 1 204 1 1 12 LYS HB2 H 1.956 5.360 2.564 1.00 . A A . 12 LYS HB2 1 1 1 205 1 1 12 LYS HB3 H 1.660 5.759 0.876 1.00 . A A . 12 LYS HB3 1 1 1 206 1 1 12 LYS HD2 H 3.576 7.880 0.367 1.00 . A A . 12 LYS HD2 1 1 1 207 1 1 12 LYS HD3 H 1.860 7.688 0.001 1.00 . A A . 12 LYS HD3 1 1 1 208 1 1 12 LYS HE2 H 1.949 9.950 -0.084 1.00 . A A . 12 LYS HE2 1 1 1 209 1 1 12 LYS HE3 H 1.706 9.780 1.654 1.00 . A A . 12 LYS HE3 1 1 1 210 1 1 12 LYS HG2 H 1.845 8.050 2.717 1.00 . A A . 12 LYS HG2 1 1 1 211 1 1 12 LYS HG3 H 3.331 7.131 2.468 1.00 . A A . 12 LYS HG3 1 1 1 212 1 1 12 LYS HZ1 H 3.825 10.396 2.104 1.00 . A A . 12 LYS HZ1 1 1 1 213 1 1 12 LYS HZ2 H 3.648 11.230 0.643 1.00 . A A . 12 LYS HZ2 1 1 1 214 1 1 12 LYS HZ3 H 4.457 9.745 0.675 1.00 . A A . 12 LYS HZ3 1 1 1 215 1 1 12 LYS N N -0.515 5.019 2.614 1.00 . A A . 12 LYS N 1 1 1 216 1 1 12 LYS NZ N 3.668 10.287 1.081 1.00 . A A . 12 LYS NZ 1 1 1 217 1 1 12 LYS O O -1.455 7.771 1.077 1.00 . A A . 12 LYS O 1 1 1 218 1 1 13 NH2 N N -0.295 6.352 -0.208 1.00 . A A . 13 NH2 N 1 1 2 219 1 1 1 SER C C -4.585 4.068 1.809 1.00 . A A . 1 SER C 1 1 2 220 1 1 1 SER CA C -5.637 5.167 1.888 1.00 . A A . 1 SER CA 1 1 2 221 1 1 1 SER CB C -5.756 5.882 0.541 1.00 . A A . 1 SER CB 1 1 2 222 1 1 1 SER H1 H -6.161 6.679 3.181 1.00 . A A . 1 SER H1 1 1 2 223 1 1 1 SER H2 H -4.581 6.814 2.525 1.00 . A A . 1 SER H2 1 1 2 224 1 1 1 SER H3 H -4.908 5.657 3.748 1.00 . A A . 1 SER H3 1 1 2 225 1 1 1 SER HA H -6.589 4.722 2.141 1.00 . A A . 1 SER HA 1 1 2 226 1 1 1 SER HB2 H -4.770 6.037 0.129 1.00 . A A . 1 SER HB2 1 1 2 227 1 1 1 SER HB3 H -6.338 5.274 -0.137 1.00 . A A . 1 SER HB3 1 1 2 228 1 1 1 SER HG H -7.179 7.041 1.226 1.00 . A A . 1 SER HG 1 1 2 229 1 1 1 SER N N -5.291 6.170 2.929 1.00 . A A . 1 SER N 1 1 2 230 1 1 1 SER O O -3.561 4.123 2.490 1.00 . A A . 1 SER O 1 1 2 231 1 1 1 SER OG O -6.392 7.140 0.685 1.00 . A A . 1 SER OG 1 1 2 232 1 1 2 TRP C C -3.253 1.991 -0.552 1.00 . A A . 2 TRP C 1 1 2 233 1 1 2 TRP CA C -3.935 1.946 0.809 1.00 . A A . 2 TRP CA 1 1 2 234 1 1 2 TRP CB C -4.692 0.631 0.966 1.00 . A A . 2 TRP CB 1 1 2 235 1 1 2 TRP CD1 C -6.255 0.221 2.958 1.00 . A A . 2 TRP CD1 1 1 2 236 1 1 2 TRP CD2 C -4.076 0.110 3.434 1.00 . A A . 2 TRP CD2 1 1 2 237 1 1 2 TRP CE2 C -4.799 -0.136 4.613 1.00 . A A . 2 TRP CE2 1 1 2 238 1 1 2 TRP CE3 C -2.685 0.096 3.476 1.00 . A A . 2 TRP CE3 1 1 2 239 1 1 2 TRP CG C -5.019 0.327 2.390 1.00 . A A . 2 TRP CG 1 1 2 240 1 1 2 TRP CH2 C -2.800 -0.399 5.841 1.00 . A A . 2 TRP CH2 1 1 2 241 1 1 2 TRP CZ2 C -4.169 -0.393 5.828 1.00 . A A . 2 TRP CZ2 1 1 2 242 1 1 2 TRP CZ3 C -2.060 -0.156 4.675 1.00 . A A . 2 TRP CZ3 1 1 2 243 1 1 2 TRP H H -5.686 3.081 0.468 1.00 . A A . 2 TRP H 1 1 2 244 1 1 2 TRP HA H -3.178 2.007 1.586 1.00 . A A . 2 TRP HA 1 1 2 245 1 1 2 TRP HB2 H -5.613 0.678 0.408 1.00 . A A . 2 TRP HB2 1 1 2 246 1 1 2 TRP HB3 H -4.085 -0.176 0.583 1.00 . A A . 2 TRP HB3 1 1 2 247 1 1 2 TRP HD1 H -7.183 0.343 2.421 1.00 . A A . 2 TRP HD1 1 1 2 248 1 1 2 TRP HE1 H -6.875 -0.194 4.924 1.00 . A A . 2 TRP HE1 1 1 2 249 1 1 2 TRP HE3 H -2.098 0.279 2.589 1.00 . A A . 2 TRP HE3 1 1 2 250 1 1 2 TRP HH2 H -2.267 -0.591 6.761 1.00 . A A . 2 TRP HH2 1 1 2 251 1 1 2 TRP HZ2 H -4.727 -0.582 6.734 1.00 . A A . 2 TRP HZ2 1 1 2 252 1 1 2 TRP HZ3 H -0.985 -0.163 4.721 1.00 . A A . 2 TRP HZ3 1 1 2 253 1 1 2 TRP N N -4.850 3.068 0.978 1.00 . A A . 2 TRP N 1 1 2 254 1 1 2 TRP NE1 N -6.132 -0.065 4.298 1.00 . A A . 2 TRP NE1 1 1 2 255 1 1 2 TRP O O -3.908 2.133 -1.584 1.00 . A A . 2 TRP O 1 1 2 256 1 1 3 THR C C -0.499 0.501 -1.976 1.00 . A A . 3 THR C 1 1 2 257 1 1 3 THR CA C -1.155 1.859 -1.774 1.00 . A A . 3 THR CA 1 1 2 258 1 1 3 THR CB C -0.090 2.957 -1.729 1.00 . A A . 3 THR CB 1 1 2 259 1 1 3 THR CG2 C 0.795 2.882 -0.503 1.00 . A A . 3 THR CG2 1 1 2 260 1 1 3 THR H H -1.472 1.733 0.310 1.00 . A A . 3 THR H 1 1 2 261 1 1 3 THR HA H -1.828 2.050 -2.597 1.00 . A A . 3 THR HA 1 1 2 262 1 1 3 THR HB H -0.580 3.920 -1.724 1.00 . A A . 3 THR HB 1 1 2 263 1 1 3 THR HG1 H 0.329 3.346 -3.602 1.00 . A A . 3 THR HG1 1 1 2 264 1 1 3 THR HG21 H 0.727 1.895 -0.070 1.00 . A A . 3 THR HG21 1 1 2 265 1 1 3 THR HG22 H 0.472 3.616 0.220 1.00 . A A . 3 THR HG22 1 1 2 266 1 1 3 THR HG23 H 1.819 3.081 -0.786 1.00 . A A . 3 THR HG23 1 1 2 267 1 1 3 THR N N -1.934 1.853 -0.545 1.00 . A A . 3 THR N 1 1 2 268 1 1 3 THR O O 0.147 -0.025 -1.071 1.00 . A A . 3 THR O 1 1 2 269 1 1 3 THR OG1 O 0.748 2.890 -2.869 1.00 . A A . 3 THR OG1 1 1 2 270 1 1 4 TRP C C 1.172 -1.207 -4.278 1.00 . A A . 4 TRP C 1 1 2 271 1 1 4 TRP CA C -0.106 -1.372 -3.459 1.00 . A A . 4 TRP CA 1 1 2 272 1 1 4 TRP CB C -1.163 -2.185 -4.208 1.00 . A A . 4 TRP CB 1 1 2 273 1 1 4 TRP CD1 C -0.177 -3.465 -6.178 1.00 . A A . 4 TRP CD1 1 1 2 274 1 1 4 TRP CD2 C -0.593 -4.726 -4.380 1.00 . A A . 4 TRP CD2 1 1 2 275 1 1 4 TRP CE2 C -0.072 -5.552 -5.391 1.00 . A A . 4 TRP CE2 1 1 2 276 1 1 4 TRP CE3 C -0.930 -5.293 -3.149 1.00 . A A . 4 TRP CE3 1 1 2 277 1 1 4 TRP CG C -0.652 -3.400 -4.906 1.00 . A A . 4 TRP CG 1 1 2 278 1 1 4 TRP CH2 C -0.221 -7.449 -3.991 1.00 . A A . 4 TRP CH2 1 1 2 279 1 1 4 TRP CZ2 C 0.117 -6.919 -5.209 1.00 . A A . 4 TRP CZ2 1 1 2 280 1 1 4 TRP CZ3 C -0.741 -6.647 -2.966 1.00 . A A . 4 TRP CZ3 1 1 2 281 1 1 4 TRP H H -1.203 0.386 -3.845 1.00 . A A . 4 TRP H 1 1 2 282 1 1 4 TRP HA H 0.129 -1.863 -2.527 1.00 . A A . 4 TRP HA 1 1 2 283 1 1 4 TRP HB2 H -1.915 -2.507 -3.505 1.00 . A A . 4 TRP HB2 1 1 2 284 1 1 4 TRP HB3 H -1.628 -1.549 -4.948 1.00 . A A . 4 TRP HB3 1 1 2 285 1 1 4 TRP HD1 H -0.098 -2.612 -6.838 1.00 . A A . 4 TRP HD1 1 1 2 286 1 1 4 TRP HE1 H 0.541 -5.063 -7.340 1.00 . A A . 4 TRP HE1 1 1 2 287 1 1 4 TRP HE3 H -1.331 -4.690 -2.348 1.00 . A A . 4 TRP HE3 1 1 2 288 1 1 4 TRP HH2 H -0.090 -8.505 -3.805 1.00 . A A . 4 TRP HH2 1 1 2 289 1 1 4 TRP HZ2 H 0.516 -7.550 -5.988 1.00 . A A . 4 TRP HZ2 1 1 2 290 1 1 4 TRP HZ3 H -0.991 -7.101 -2.018 1.00 . A A . 4 TRP HZ3 1 1 2 291 1 1 4 TRP N N -0.674 -0.071 -3.158 1.00 . A A . 4 TRP N 1 1 2 292 1 1 4 TRP NE1 N 0.174 -4.759 -6.484 1.00 . A A . 4 TRP NE1 1 1 2 293 1 1 4 TRP O O 1.183 -0.508 -5.291 1.00 . A A . 4 TRP O 1 1 2 294 1 1 5 GLU C C 4.308 -3.046 -4.521 1.00 . A A . 5 GLU C 1 1 2 295 1 1 5 GLU CA C 3.534 -1.730 -4.515 1.00 . A A . 5 GLU CA 1 1 2 296 1 1 5 GLU CB C 4.387 -0.635 -3.870 1.00 . A A . 5 GLU CB 1 1 2 297 1 1 5 GLU CD C 4.442 0.520 -1.625 1.00 . A A . 5 GLU CD 1 1 2 298 1 1 5 GLU CG C 4.550 -0.797 -2.368 1.00 . A A . 5 GLU CG 1 1 2 299 1 1 5 GLU H H 2.193 -2.368 -3.002 1.00 . A A . 5 GLU H 1 1 2 300 1 1 5 GLU HA H 3.330 -1.448 -5.536 1.00 . A A . 5 GLU HA 1 1 2 301 1 1 5 GLU HB2 H 5.371 -0.650 -4.321 1.00 . A A . 5 GLU HB2 1 1 2 302 1 1 5 GLU HB3 H 3.924 0.324 -4.060 1.00 . A A . 5 GLU HB3 1 1 2 303 1 1 5 GLU HG2 H 3.780 -1.461 -2.005 1.00 . A A . 5 GLU HG2 1 1 2 304 1 1 5 GLU HG3 H 5.520 -1.228 -2.168 1.00 . A A . 5 GLU HG3 1 1 2 305 1 1 5 GLU N N 2.254 -1.837 -3.824 1.00 . A A . 5 GLU N 1 1 2 306 1 1 5 GLU O O 4.677 -3.570 -3.470 1.00 . A A . 5 GLU O 1 1 2 307 1 1 5 GLU OE1 O 5.341 0.819 -0.812 1.00 . A A . 5 GLU OE1 1 1 2 308 1 1 5 GLU OE2 O 3.457 1.253 -1.856 1.00 . A A . 5 GLU OE2 1 1 2 309 1 1 6 ASN C C 4.902 -5.902 -4.956 1.00 . A A . 6 ASN C 1 1 2 310 1 1 6 ASN CA C 5.349 -4.780 -5.895 1.00 . A A . 6 ASN CA 1 1 2 311 1 1 6 ASN CB C 6.838 -4.498 -5.687 1.00 . A A . 6 ASN CB 1 1 2 312 1 1 6 ASN CG C 7.700 -5.124 -6.766 1.00 . A A . 6 ASN CG 1 1 2 313 1 1 6 ASN H H 4.280 -3.064 -6.515 1.00 . A A . 6 ASN H 1 1 2 314 1 1 6 ASN HA H 5.203 -5.110 -6.912 1.00 . A A . 6 ASN HA 1 1 2 315 1 1 6 ASN HB2 H 7.000 -3.428 -5.700 1.00 . A A . 6 ASN HB2 1 1 2 316 1 1 6 ASN HB3 H 7.145 -4.896 -4.729 1.00 . A A . 6 ASN HB3 1 1 2 317 1 1 6 ASN HD21 H 7.102 -3.753 -8.075 1.00 . A A . 6 ASN HD21 1 1 2 318 1 1 6 ASN HD22 H 8.218 -4.927 -8.675 1.00 . A A . 6 ASN HD22 1 1 2 319 1 1 6 ASN N N 4.581 -3.550 -5.719 1.00 . A A . 6 ASN N 1 1 2 320 1 1 6 ASN ND2 N 7.670 -4.542 -7.959 1.00 . A A . 6 ASN ND2 1 1 2 321 1 1 6 ASN O O 5.729 -6.690 -4.494 1.00 . A A . 6 ASN O 1 1 2 322 1 1 6 ASN OD1 O 8.386 -6.119 -6.529 1.00 . A A . 6 ASN OD1 1 1 2 323 1 1 7 GLY C C 2.958 -6.664 -2.378 1.00 . A A . 7 GLY C 1 1 2 324 1 1 7 GLY CA C 3.114 -7.062 -3.835 1.00 . A A . 7 GLY CA 1 1 2 325 1 1 7 GLY H H 2.977 -5.363 -5.101 1.00 . A A . 7 GLY H 1 1 2 326 1 1 7 GLY HA2 H 2.161 -7.393 -4.204 1.00 . A A . 7 GLY HA2 1 1 2 327 1 1 7 GLY HA3 H 3.806 -7.889 -3.892 1.00 . A A . 7 GLY HA3 1 1 2 328 1 1 7 GLY N N 3.603 -5.998 -4.695 1.00 . A A . 7 GLY N 1 1 2 329 1 1 7 GLY O O 2.935 -7.531 -1.504 1.00 . A A . 7 GLY O 1 1 2 330 1 1 8 LYS C C 1.780 -3.719 -0.582 1.00 . A A . 8 LYS C 1 1 2 331 1 1 8 LYS CA C 2.716 -4.920 -0.714 1.00 . A A . 8 LYS CA 1 1 2 332 1 1 8 LYS CB C 4.088 -4.575 -0.131 1.00 . A A . 8 LYS CB 1 1 2 333 1 1 8 LYS CD C 4.083 -5.588 2.168 1.00 . A A . 8 LYS CD 1 1 2 334 1 1 8 LYS CE C 4.603 -4.373 2.920 1.00 . A A . 8 LYS CE 1 1 2 335 1 1 8 LYS CG C 4.660 -5.662 0.764 1.00 . A A . 8 LYS CG 1 1 2 336 1 1 8 LYS H H 2.887 -4.709 -2.822 1.00 . A A . 8 LYS H 1 1 2 337 1 1 8 LYS HA H 2.299 -5.741 -0.150 1.00 . A A . 8 LYS HA 1 1 2 338 1 1 8 LYS HB2 H 4.780 -4.407 -0.943 1.00 . A A . 8 LYS HB2 1 1 2 339 1 1 8 LYS HB3 H 4.004 -3.668 0.451 1.00 . A A . 8 LYS HB3 1 1 2 340 1 1 8 LYS HD2 H 3.008 -5.525 2.103 1.00 . A A . 8 LYS HD2 1 1 2 341 1 1 8 LYS HD3 H 4.362 -6.481 2.709 1.00 . A A . 8 LYS HD3 1 1 2 342 1 1 8 LYS HE2 H 4.967 -3.651 2.204 1.00 . A A . 8 LYS HE2 1 1 2 343 1 1 8 LYS HE3 H 3.789 -3.940 3.484 1.00 . A A . 8 LYS HE3 1 1 2 344 1 1 8 LYS HG2 H 4.423 -6.626 0.339 1.00 . A A . 8 LYS HG2 1 1 2 345 1 1 8 LYS HG3 H 5.732 -5.544 0.817 1.00 . A A . 8 LYS HG3 1 1 2 346 1 1 8 LYS HZ1 H 5.696 -4.091 4.677 1.00 . A A . 8 LYS HZ1 1 1 2 347 1 1 8 LYS HZ2 H 6.624 -4.640 3.374 1.00 . A A . 8 LYS HZ2 1 1 2 348 1 1 8 LYS HZ3 H 5.593 -5.707 4.186 1.00 . A A . 8 LYS HZ3 1 1 2 349 1 1 8 LYS N N 2.859 -5.368 -2.097 1.00 . A A . 8 LYS N 1 1 2 350 1 1 8 LYS NZ N 5.706 -4.727 3.854 1.00 . A A . 8 LYS NZ 1 1 2 351 1 1 8 LYS O O 1.912 -2.727 -1.297 1.00 . A A . 8 LYS O 1 1 2 352 1 1 9 TRP C C 0.432 -1.826 1.723 1.00 . A A . 9 TRP C 1 1 2 353 1 1 9 TRP CA C -0.112 -2.750 0.634 1.00 . A A . 9 TRP CA 1 1 2 354 1 1 9 TRP CB C -1.450 -3.345 1.082 1.00 . A A . 9 TRP CB 1 1 2 355 1 1 9 TRP CD1 C -2.745 -4.988 -0.344 1.00 . A A . 9 TRP CD1 1 1 2 356 1 1 9 TRP CD2 C -2.984 -2.865 -0.996 1.00 . A A . 9 TRP CD2 1 1 2 357 1 1 9 TRP CE2 C -3.735 -3.686 -1.860 1.00 . A A . 9 TRP CE2 1 1 2 358 1 1 9 TRP CE3 C -2.987 -1.483 -1.210 1.00 . A A . 9 TRP CE3 1 1 2 359 1 1 9 TRP CG C -2.352 -3.730 -0.042 1.00 . A A . 9 TRP CG 1 1 2 360 1 1 9 TRP CH2 C -4.463 -1.816 -3.104 1.00 . A A . 9 TRP CH2 1 1 2 361 1 1 9 TRP CZ2 C -4.479 -3.171 -2.918 1.00 . A A . 9 TRP CZ2 1 1 2 362 1 1 9 TRP CZ3 C -3.728 -0.974 -2.261 1.00 . A A . 9 TRP CZ3 1 1 2 363 1 1 9 TRP H H 0.808 -4.637 0.905 1.00 . A A . 9 TRP H 1 1 2 364 1 1 9 TRP HA H -0.256 -2.185 -0.275 1.00 . A A . 9 TRP HA 1 1 2 365 1 1 9 TRP HB2 H -1.259 -4.233 1.664 1.00 . A A . 9 TRP HB2 1 1 2 366 1 1 9 TRP HB3 H -1.973 -2.637 1.693 1.00 . A A . 9 TRP HB3 1 1 2 367 1 1 9 TRP HD1 H -2.435 -5.854 0.209 1.00 . A A . 9 TRP HD1 1 1 2 368 1 1 9 TRP HE1 H -3.978 -5.770 -1.854 1.00 . A A . 9 TRP HE1 1 1 2 369 1 1 9 TRP HE3 H -2.431 -0.815 -0.569 1.00 . A A . 9 TRP HE3 1 1 2 370 1 1 9 TRP HH2 H -5.026 -1.374 -3.912 1.00 . A A . 9 TRP HH2 1 1 2 371 1 1 9 TRP HZ2 H -5.052 -3.806 -3.577 1.00 . A A . 9 TRP HZ2 1 1 2 372 1 1 9 TRP HZ3 H -3.741 0.091 -2.442 1.00 . A A . 9 TRP HZ3 1 1 2 373 1 1 9 TRP N N 0.846 -3.821 0.364 1.00 . A A . 9 TRP N 1 1 2 374 1 1 9 TRP NE1 N -3.571 -4.980 -1.441 1.00 . A A . 9 TRP NE1 1 1 2 375 1 1 9 TRP O O 0.811 -2.284 2.800 1.00 . A A . 9 TRP O 1 1 2 376 1 1 10 THR C C -0.008 1.588 2.610 1.00 . A A . 10 THR C 1 1 2 377 1 1 10 THR CA C 0.981 0.446 2.404 1.00 . A A . 10 THR CA 1 1 2 378 1 1 10 THR CB C 2.327 1.002 1.937 1.00 . A A . 10 THR CB 1 1 2 379 1 1 10 THR CG2 C 3.252 1.368 3.079 1.00 . A A . 10 THR CG2 1 1 2 380 1 1 10 THR H H 0.164 -0.217 0.564 1.00 . A A . 10 THR H 1 1 2 381 1 1 10 THR HA H 1.122 -0.065 3.345 1.00 . A A . 10 THR HA 1 1 2 382 1 1 10 THR HB H 2.153 1.895 1.354 1.00 . A A . 10 THR HB 1 1 2 383 1 1 10 THR HG1 H 2.498 -0.087 0.318 1.00 . A A . 10 THR HG1 1 1 2 384 1 1 10 THR HG21 H 2.715 1.969 3.798 1.00 . A A . 10 THR HG21 1 1 2 385 1 1 10 THR HG22 H 4.092 1.928 2.696 1.00 . A A . 10 THR HG22 1 1 2 386 1 1 10 THR HG23 H 3.607 0.467 3.557 1.00 . A A . 10 THR HG23 1 1 2 387 1 1 10 THR N N 0.475 -0.527 1.439 1.00 . A A . 10 THR N 1 1 2 388 1 1 10 THR O O -0.682 2.014 1.674 1.00 . A A . 10 THR O 1 1 2 389 1 1 10 THR OG1 O 3.003 0.062 1.121 1.00 . A A . 10 THR OG1 1 1 2 390 1 1 11 TRP C C -0.294 4.525 4.003 1.00 . A A . 11 TRP C 1 1 2 391 1 1 11 TRP CA C -0.994 3.180 4.164 1.00 . A A . 11 TRP CA 1 1 2 392 1 1 11 TRP CB C -1.521 3.035 5.593 1.00 . A A . 11 TRP CB 1 1 2 393 1 1 11 TRP CD1 C -2.270 5.223 6.694 1.00 . A A . 11 TRP CD1 1 1 2 394 1 1 11 TRP CD2 C -3.910 4.115 5.647 1.00 . A A . 11 TRP CD2 1 1 2 395 1 1 11 TRP CE2 C -4.447 5.290 6.206 1.00 . A A . 11 TRP CE2 1 1 2 396 1 1 11 TRP CE3 C -4.758 3.257 4.938 1.00 . A A . 11 TRP CE3 1 1 2 397 1 1 11 TRP CG C -2.514 4.091 5.971 1.00 . A A . 11 TRP CG 1 1 2 398 1 1 11 TRP CH2 C -6.598 4.771 5.380 1.00 . A A . 11 TRP CH2 1 1 2 399 1 1 11 TRP CZ2 C -5.792 5.628 6.079 1.00 . A A . 11 TRP CZ2 1 1 2 400 1 1 11 TRP CZ3 C -6.093 3.595 4.813 1.00 . A A . 11 TRP CZ3 1 1 2 401 1 1 11 TRP H H 0.477 1.707 4.546 1.00 . A A . 11 TRP H 1 1 2 402 1 1 11 TRP HA H -1.825 3.136 3.476 1.00 . A A . 11 TRP HA 1 1 2 403 1 1 11 TRP HB2 H -2.004 2.073 5.696 1.00 . A A . 11 TRP HB2 1 1 2 404 1 1 11 TRP HB3 H -0.690 3.094 6.284 1.00 . A A . 11 TRP HB3 1 1 2 405 1 1 11 TRP HD1 H -1.302 5.495 7.089 1.00 . A A . 11 TRP HD1 1 1 2 406 1 1 11 TRP HE1 H -3.508 6.800 7.319 1.00 . A A . 11 TRP HE1 1 1 2 407 1 1 11 TRP HE3 H -4.387 2.346 4.493 1.00 . A A . 11 TRP HE3 1 1 2 408 1 1 11 TRP HH2 H -7.648 4.994 5.257 1.00 . A A . 11 TRP HH2 1 1 2 409 1 1 11 TRP HZ2 H -6.198 6.531 6.510 1.00 . A A . 11 TRP HZ2 1 1 2 410 1 1 11 TRP HZ3 H -6.762 2.945 4.269 1.00 . A A . 11 TRP HZ3 1 1 2 411 1 1 11 TRP N N -0.088 2.084 3.841 1.00 . A A . 11 TRP N 1 1 2 412 1 1 11 TRP NE1 N -3.427 5.949 6.840 1.00 . A A . 11 TRP NE1 1 1 2 413 1 1 11 TRP O O 0.468 4.947 4.873 1.00 . A A . 11 TRP O 1 1 2 414 1 1 12 LYS C C -0.471 7.069 1.300 1.00 . A A . 12 LYS C 1 1 2 415 1 1 12 LYS CA C 0.053 6.488 2.609 1.00 . A A . 12 LYS CA 1 1 2 416 1 1 12 LYS CB C 1.576 6.356 2.549 1.00 . A A . 12 LYS CB 1 1 2 417 1 1 12 LYS CD C 2.541 7.661 4.468 1.00 . A A . 12 LYS CD 1 1 2 418 1 1 12 LYS CE C 2.437 9.078 5.006 1.00 . A A . 12 LYS CE 1 1 2 419 1 1 12 LYS CG C 2.315 7.617 2.965 1.00 . A A . 12 LYS CG 1 1 2 420 1 1 12 LYS H H -1.169 4.803 2.227 1.00 . A A . 12 LYS H 1 1 2 421 1 1 12 LYS HA H -0.209 7.156 3.416 1.00 . A A . 12 LYS HA 1 1 2 422 1 1 12 LYS HB2 H 1.882 5.552 3.203 1.00 . A A . 12 LYS HB2 1 1 2 423 1 1 12 LYS HB3 H 1.865 6.113 1.537 1.00 . A A . 12 LYS HB3 1 1 2 424 1 1 12 LYS HD2 H 1.796 7.047 4.952 1.00 . A A . 12 LYS HD2 1 1 2 425 1 1 12 LYS HD3 H 3.526 7.273 4.685 1.00 . A A . 12 LYS HD3 1 1 2 426 1 1 12 LYS HE2 H 2.577 9.772 4.190 1.00 . A A . 12 LYS HE2 1 1 2 427 1 1 12 LYS HE3 H 1.454 9.217 5.432 1.00 . A A . 12 LYS HE3 1 1 2 428 1 1 12 LYS HG2 H 3.272 7.644 2.466 1.00 . A A . 12 LYS HG2 1 1 2 429 1 1 12 LYS HG3 H 1.730 8.478 2.673 1.00 . A A . 12 LYS HG3 1 1 2 430 1 1 12 LYS HZ1 H 3.064 9.970 6.788 1.00 . A A . 12 LYS HZ1 1 1 2 431 1 1 12 LYS HZ2 H 4.288 9.820 5.630 1.00 . A A . 12 LYS HZ2 1 1 2 432 1 1 12 LYS HZ3 H 3.770 8.461 6.492 1.00 . A A . 12 LYS HZ3 1 1 2 433 1 1 12 LYS N N -0.555 5.192 2.884 1.00 . A A . 12 LYS N 1 1 2 434 1 1 12 LYS NZ N 3.461 9.352 6.052 1.00 . A A . 12 LYS NZ 1 1 2 435 1 1 12 LYS O O -0.886 8.227 1.245 1.00 . A A . 12 LYS O 1 1 2 436 1 1 13 NH2 N N -0.344 6.315 0.215 1.00 . A A . 13 NH2 N 1 1 3 437 1 1 1 SER C C -4.584 3.988 1.718 1.00 . A A . 1 SER C 1 1 3 438 1 1 1 SER CA C -5.646 5.078 1.778 1.00 . A A . 1 SER CA 1 1 3 439 1 1 1 SER CB C -5.757 5.784 0.425 1.00 . A A . 1 SER CB 1 1 3 440 1 1 1 SER H1 H -6.194 6.606 3.043 1.00 . A A . 1 SER H1 1 1 3 441 1 1 1 SER H2 H -4.600 6.730 2.419 1.00 . A A . 1 SER H2 1 1 3 442 1 1 1 SER H3 H -4.956 5.586 3.648 1.00 . A A . 1 SER H3 1 1 3 443 1 1 1 SER HA H -6.597 4.627 2.023 1.00 . A A . 1 SER HA 1 1 3 444 1 1 1 SER HB2 H -6.072 6.805 0.578 1.00 . A A . 1 SER HB2 1 1 3 445 1 1 1 SER HB3 H -4.794 5.774 -0.064 1.00 . A A . 1 SER HB3 1 1 3 446 1 1 1 SER HG H -7.463 5.708 -0.535 1.00 . A A . 1 SER HG 1 1 3 447 1 1 1 SER N N -5.320 6.091 2.816 1.00 . A A . 1 SER N 1 1 3 448 1 1 1 SER O O -3.562 4.062 2.400 1.00 . A A . 1 SER O 1 1 3 449 1 1 1 SER OG O -6.701 5.138 -0.412 1.00 . A A . 1 SER OG 1 1 3 450 1 1 2 TRP C C -3.225 1.889 -0.610 1.00 . A A . 2 TRP C 1 1 3 451 1 1 2 TRP CA C -3.911 1.859 0.751 1.00 . A A . 2 TRP CA 1 1 3 452 1 1 2 TRP CB C -4.656 0.538 0.925 1.00 . A A . 2 TRP CB 1 1 3 453 1 1 2 TRP CD1 C -6.213 0.142 2.925 1.00 . A A . 2 TRP CD1 1 1 3 454 1 1 2 TRP CD2 C -4.033 0.056 3.399 1.00 . A A . 2 TRP CD2 1 1 3 455 1 1 2 TRP CE2 C -4.752 -0.180 4.583 1.00 . A A . 2 TRP CE2 1 1 3 456 1 1 2 TRP CE3 C -2.642 0.054 3.440 1.00 . A A . 2 TRP CE3 1 1 3 457 1 1 2 TRP CG C -4.979 0.251 2.354 1.00 . A A . 2 TRP CG 1 1 3 458 1 1 2 TRP CH2 C -2.749 -0.408 5.812 1.00 . A A . 2 TRP CH2 1 1 3 459 1 1 2 TRP CZ2 C -4.119 -0.415 5.801 1.00 . A A . 2 TRP CZ2 1 1 3 460 1 1 2 TRP CZ3 C -2.013 -0.175 4.641 1.00 . A A . 2 TRP CZ3 1 1 3 461 1 1 2 TRP H H -5.672 2.971 0.387 1.00 . A A . 2 TRP H 1 1 3 462 1 1 2 TRP HA H -3.157 1.938 1.528 1.00 . A A . 2 TRP HA 1 1 3 463 1 1 2 TRP HB2 H -5.578 0.570 0.367 1.00 . A A . 2 TRP HB2 1 1 3 464 1 1 2 TRP HB3 H -4.041 -0.267 0.553 1.00 . A A . 2 TRP HB3 1 1 3 465 1 1 2 TRP HD1 H -7.143 0.249 2.388 1.00 . A A . 2 TRP HD1 1 1 3 466 1 1 2 TRP HE1 H -6.827 -0.251 4.897 1.00 . A A . 2 TRP HE1 1 1 3 467 1 1 2 TRP HE3 H -2.058 0.231 2.549 1.00 . A A . 2 TRP HE3 1 1 3 468 1 1 2 TRP HH2 H -2.214 -0.583 6.733 1.00 . A A . 2 TRP HH2 1 1 3 469 1 1 2 TRP HZ2 H -4.673 -0.596 6.710 1.00 . A A . 2 TRP HZ2 1 1 3 470 1 1 2 TRP HZ3 H -0.938 -0.172 4.685 1.00 . A A . 2 TRP HZ3 1 1 3 471 1 1 2 TRP N N -4.837 2.973 0.900 1.00 . A A . 2 TRP N 1 1 3 472 1 1 2 TRP NE1 N -6.086 -0.124 4.269 1.00 . A A . 2 TRP NE1 1 1 3 473 1 1 2 TRP O O -3.880 2.008 -1.645 1.00 . A A . 2 TRP O 1 1 3 474 1 1 3 THR C C -0.475 0.398 -2.016 1.00 . A A . 3 THR C 1 1 3 475 1 1 3 THR CA C -1.123 1.761 -1.825 1.00 . A A . 3 THR CA 1 1 3 476 1 1 3 THR CB C -0.053 2.852 -1.783 1.00 . A A . 3 THR CB 1 1 3 477 1 1 3 THR CG2 C 0.757 2.847 -0.505 1.00 . A A . 3 THR CG2 1 1 3 478 1 1 3 THR H H -1.444 1.664 0.261 1.00 . A A . 3 THR H 1 1 3 479 1 1 3 THR HA H -1.794 1.951 -2.650 1.00 . A A . 3 THR HA 1 1 3 480 1 1 3 THR HB H -0.533 3.817 -1.867 1.00 . A A . 3 THR HB 1 1 3 481 1 1 3 THR HG1 H 1.376 1.916 -2.742 1.00 . A A . 3 THR HG1 1 1 3 482 1 1 3 THR HG21 H 1.767 3.167 -0.717 1.00 . A A . 3 THR HG21 1 1 3 483 1 1 3 THR HG22 H 0.775 1.849 -0.094 1.00 . A A . 3 THR HG22 1 1 3 484 1 1 3 THR HG23 H 0.309 3.523 0.209 1.00 . A A . 3 THR HG23 1 1 3 485 1 1 3 THR N N -1.905 1.766 -0.597 1.00 . A A . 3 THR N 1 1 3 486 1 1 3 THR O O 0.166 -0.126 -1.106 1.00 . A A . 3 THR O 1 1 3 487 1 1 3 THR OG1 O 0.851 2.710 -2.865 1.00 . A A . 3 THR OG1 1 1 3 488 1 1 4 TRP C C 1.169 -1.339 -4.335 1.00 . A A . 4 TRP C 1 1 3 489 1 1 4 TRP CA C -0.089 -1.487 -3.484 1.00 . A A . 4 TRP CA 1 1 3 490 1 1 4 TRP CB C -1.163 -2.314 -4.194 1.00 . A A . 4 TRP CB 1 1 3 491 1 1 4 TRP CD1 C -0.226 -3.635 -6.160 1.00 . A A . 4 TRP CD1 1 1 3 492 1 1 4 TRP CD2 C -0.597 -4.857 -4.325 1.00 . A A . 4 TRP CD2 1 1 3 493 1 1 4 TRP CE2 C -0.101 -5.705 -5.331 1.00 . A A . 4 TRP CE2 1 1 3 494 1 1 4 TRP CE3 C -0.902 -5.397 -3.074 1.00 . A A . 4 TRP CE3 1 1 3 495 1 1 4 TRP CG C -0.669 -3.543 -4.878 1.00 . A A . 4 TRP CG 1 1 3 496 1 1 4 TRP CH2 C -0.216 -7.571 -3.887 1.00 . A A . 4 TRP CH2 1 1 3 497 1 1 4 TRP CZ2 C 0.092 -7.068 -5.124 1.00 . A A . 4 TRP CZ2 1 1 3 498 1 1 4 TRP CZ3 C -0.708 -6.747 -2.867 1.00 . A A . 4 TRP CZ3 1 1 3 499 1 1 4 TRP H H -1.176 0.273 -3.886 1.00 . A A . 4 TRP H 1 1 3 500 1 1 4 TRP HA H 0.167 -1.961 -2.549 1.00 . A A . 4 TRP HA 1 1 3 501 1 1 4 TRP HB2 H -1.900 -2.620 -3.468 1.00 . A A . 4 TRP HB2 1 1 3 502 1 1 4 TRP HB3 H -1.643 -1.692 -4.936 1.00 . A A . 4 TRP HB3 1 1 3 503 1 1 4 TRP HD1 H -0.164 -2.797 -6.840 1.00 . A A . 4 TRP HD1 1 1 3 504 1 1 4 TRP HE1 H 0.462 -5.259 -7.305 1.00 . A A . 4 TRP HE1 1 1 3 505 1 1 4 TRP HE3 H -1.282 -4.776 -2.277 1.00 . A A . 4 TRP HE3 1 1 3 506 1 1 4 TRP HH2 H -0.080 -8.623 -3.681 1.00 . A A . 4 TRP HH2 1 1 3 507 1 1 4 TRP HZ2 H 0.471 -7.717 -5.900 1.00 . A A . 4 TRP HZ2 1 1 3 508 1 1 4 TRP HZ3 H -0.935 -7.180 -1.903 1.00 . A A . 4 TRP HZ3 1 1 3 509 1 1 4 TRP N N -0.650 -0.182 -3.195 1.00 . A A . 4 TRP N 1 1 3 510 1 1 4 TRP NE1 N 0.117 -4.936 -6.447 1.00 . A A . 4 TRP NE1 1 1 3 511 1 1 4 TRP O O 1.157 -0.660 -5.362 1.00 . A A . 4 TRP O 1 1 3 512 1 1 5 GLU C C 4.298 -3.184 -4.608 1.00 . A A . 5 GLU C 1 1 3 513 1 1 5 GLU CA C 3.526 -1.867 -4.613 1.00 . A A . 5 GLU CA 1 1 3 514 1 1 5 GLU CB C 4.392 -0.761 -4.011 1.00 . A A . 5 GLU CB 1 1 3 515 1 1 5 GLU CD C 4.426 1.717 -3.520 1.00 . A A . 5 GLU CD 1 1 3 516 1 1 5 GLU CG C 4.027 0.631 -4.500 1.00 . A A . 5 GLU CG 1 1 3 517 1 1 5 GLU H H 2.218 -2.474 -3.060 1.00 . A A . 5 GLU H 1 1 3 518 1 1 5 GLU HA H 3.299 -1.607 -5.636 1.00 . A A . 5 GLU HA 1 1 3 519 1 1 5 GLU HB2 H 4.284 -0.780 -2.934 1.00 . A A . 5 GLU HB2 1 1 3 520 1 1 5 GLU HB3 H 5.427 -0.950 -4.267 1.00 . A A . 5 GLU HB3 1 1 3 521 1 1 5 GLU HG2 H 4.530 0.812 -5.438 1.00 . A A . 5 GLU HG2 1 1 3 522 1 1 5 GLU HG3 H 2.958 0.677 -4.651 1.00 . A A . 5 GLU HG3 1 1 3 523 1 1 5 GLU N N 2.261 -1.959 -3.892 1.00 . A A . 5 GLU N 1 1 3 524 1 1 5 GLU O O 4.691 -3.684 -3.554 1.00 . A A . 5 GLU O 1 1 3 525 1 1 5 GLU OE1 O 5.495 2.332 -3.718 1.00 . A A . 5 GLU OE1 1 1 3 526 1 1 5 GLU OE2 O 3.670 1.952 -2.554 1.00 . A A . 5 GLU OE2 1 1 3 527 1 1 6 ASN C C 4.876 -6.049 -4.984 1.00 . A A . 6 ASN C 1 1 3 528 1 1 6 ASN CA C 5.303 -4.953 -5.961 1.00 . A A . 6 ASN CA 1 1 3 529 1 1 6 ASN CB C 6.797 -4.670 -5.794 1.00 . A A . 6 ASN CB 1 1 3 530 1 1 6 ASN CG C 7.661 -5.653 -6.559 1.00 . A A . 6 ASN CG 1 1 3 531 1 1 6 ASN H H 4.221 -3.251 -6.599 1.00 . A A . 6 ASN H 1 1 3 532 1 1 6 ASN HA H 5.134 -5.308 -6.966 1.00 . A A . 6 ASN HA 1 1 3 533 1 1 6 ASN HB2 H 7.011 -3.673 -6.156 1.00 . A A . 6 ASN HB2 1 1 3 534 1 1 6 ASN HB3 H 7.053 -4.733 -4.744 1.00 . A A . 6 ASN HB3 1 1 3 535 1 1 6 ASN HD21 H 6.956 -4.966 -8.287 1.00 . A A . 6 ASN HD21 1 1 3 536 1 1 6 ASN HD22 H 8.115 -6.241 -8.403 1.00 . A A . 6 ASN HD22 1 1 3 537 1 1 6 ASN N N 4.541 -3.717 -5.799 1.00 . A A . 6 ASN N 1 1 3 538 1 1 6 ASN ND2 N 7.568 -5.616 -7.883 1.00 . A A . 6 ASN ND2 1 1 3 539 1 1 6 ASN O O 5.711 -6.825 -4.518 1.00 . A A . 6 ASN O 1 1 3 540 1 1 6 ASN OD1 O 8.403 -6.436 -5.967 1.00 . A A . 6 ASN OD1 1 1 3 541 1 1 7 GLY C C 2.983 -6.737 -2.345 1.00 . A A . 7 GLY C 1 1 3 542 1 1 7 GLY CA C 3.110 -7.175 -3.794 1.00 . A A . 7 GLY CA 1 1 3 543 1 1 7 GLY H H 2.949 -5.510 -5.102 1.00 . A A . 7 GLY H 1 1 3 544 1 1 7 GLY HA2 H 2.151 -7.515 -4.135 1.00 . A A . 7 GLY HA2 1 1 3 545 1 1 7 GLY HA3 H 3.802 -8.004 -3.841 1.00 . A A . 7 GLY HA3 1 1 3 546 1 1 7 GLY N N 3.583 -6.135 -4.693 1.00 . A A . 7 GLY N 1 1 3 547 1 1 7 GLY O O 2.979 -7.580 -1.448 1.00 . A A . 7 GLY O 1 1 3 548 1 1 8 LYS C C 1.817 -3.760 -0.600 1.00 . A A . 8 LYS C 1 1 3 549 1 1 8 LYS CA C 2.771 -4.948 -0.724 1.00 . A A . 8 LYS CA 1 1 3 550 1 1 8 LYS CB C 4.152 -4.565 -0.186 1.00 . A A . 8 LYS CB 1 1 3 551 1 1 8 LYS CD C 4.515 -5.197 2.219 1.00 . A A . 8 LYS CD 1 1 3 552 1 1 8 LYS CE C 4.169 -6.403 3.078 1.00 . A A . 8 LYS CE 1 1 3 553 1 1 8 LYS CG C 4.739 -5.592 0.768 1.00 . A A . 8 LYS CG 1 1 3 554 1 1 8 LYS H H 2.900 -4.795 -2.840 1.00 . A A . 8 LYS H 1 1 3 555 1 1 8 LYS HA H 2.383 -5.760 -0.127 1.00 . A A . 8 LYS HA 1 1 3 556 1 1 8 LYS HB2 H 4.830 -4.450 -1.019 1.00 . A A . 8 LYS HB2 1 1 3 557 1 1 8 LYS HB3 H 4.075 -3.623 0.337 1.00 . A A . 8 LYS HB3 1 1 3 558 1 1 8 LYS HD2 H 5.416 -4.743 2.602 1.00 . A A . 8 LYS HD2 1 1 3 559 1 1 8 LYS HD3 H 3.702 -4.487 2.267 1.00 . A A . 8 LYS HD3 1 1 3 560 1 1 8 LYS HE2 H 3.525 -7.060 2.511 1.00 . A A . 8 LYS HE2 1 1 3 561 1 1 8 LYS HE3 H 5.081 -6.924 3.329 1.00 . A A . 8 LYS HE3 1 1 3 562 1 1 8 LYS HG2 H 4.268 -6.547 0.588 1.00 . A A . 8 LYS HG2 1 1 3 563 1 1 8 LYS HG3 H 5.801 -5.673 0.586 1.00 . A A . 8 LYS HG3 1 1 3 564 1 1 8 LYS HZ1 H 3.072 -6.849 4.799 1.00 . A A . 8 LYS HZ1 1 1 3 565 1 1 8 LYS HZ2 H 2.703 -5.344 4.123 1.00 . A A . 8 LYS HZ2 1 1 3 566 1 1 8 LYS HZ3 H 4.143 -5.552 4.985 1.00 . A A . 8 LYS HZ3 1 1 3 567 1 1 8 LYS N N 2.887 -5.434 -2.098 1.00 . A A . 8 LYS N 1 1 3 568 1 1 8 LYS NZ N 3.473 -6.009 4.334 1.00 . A A . 8 LYS NZ 1 1 3 569 1 1 8 LYS O O 1.911 -2.788 -1.349 1.00 . A A . 8 LYS O 1 1 3 570 1 1 9 TRP C C 0.482 -1.844 1.715 1.00 . A A . 9 TRP C 1 1 3 571 1 1 9 TRP CA C -0.058 -2.788 0.640 1.00 . A A . 9 TRP CA 1 1 3 572 1 1 9 TRP CB C -1.384 -3.396 1.109 1.00 . A A . 9 TRP CB 1 1 3 573 1 1 9 TRP CD1 C -2.680 -5.076 -0.274 1.00 . A A . 9 TRP CD1 1 1 3 574 1 1 9 TRP CD2 C -2.930 -2.969 -0.972 1.00 . A A . 9 TRP CD2 1 1 3 575 1 1 9 TRP CE2 C -3.682 -3.812 -1.814 1.00 . A A . 9 TRP CE2 1 1 3 576 1 1 9 TRP CE3 C -2.940 -1.592 -1.217 1.00 . A A . 9 TRP CE3 1 1 3 577 1 1 9 TRP CG C -2.290 -3.810 -0.002 1.00 . A A . 9 TRP CG 1 1 3 578 1 1 9 TRP CH2 C -4.424 -1.973 -3.095 1.00 . A A . 9 TRP CH2 1 1 3 579 1 1 9 TRP CZ2 C -4.433 -3.324 -2.880 1.00 . A A . 9 TRP CZ2 1 1 3 580 1 1 9 TRP CZ3 C -3.687 -1.110 -2.275 1.00 . A A . 9 TRP CZ3 1 1 3 581 1 1 9 TRP H H 0.905 -4.650 0.940 1.00 . A A . 9 TRP H 1 1 3 582 1 1 9 TRP HA H -0.218 -2.236 -0.273 1.00 . A A . 9 TRP HA 1 1 3 583 1 1 9 TRP HB2 H -1.175 -4.273 1.701 1.00 . A A . 9 TRP HB2 1 1 3 584 1 1 9 TRP HB3 H -1.912 -2.687 1.714 1.00 . A A . 9 TRP HB3 1 1 3 585 1 1 9 TRP HD1 H -2.364 -5.929 0.297 1.00 . A A . 9 TRP HD1 1 1 3 586 1 1 9 TRP HE1 H -3.917 -5.897 -1.760 1.00 . A A . 9 TRP HE1 1 1 3 587 1 1 9 TRP HE3 H -2.383 -0.908 -0.593 1.00 . A A . 9 TRP HE3 1 1 3 588 1 1 9 TRP HH2 H -4.993 -1.552 -3.911 1.00 . A A . 9 TRP HH2 1 1 3 589 1 1 9 TRP HZ2 H -5.007 -3.977 -3.521 1.00 . A A . 9 TRP HZ2 1 1 3 590 1 1 9 TRP HZ3 H -3.706 -0.050 -2.480 1.00 . A A . 9 TRP HZ3 1 1 3 591 1 1 9 TRP N N 0.912 -3.850 0.374 1.00 . A A . 9 TRP N 1 1 3 592 1 1 9 TRP NE1 N -3.511 -5.096 -1.367 1.00 . A A . 9 TRP NE1 1 1 3 593 1 1 9 TRP O O 0.877 -2.285 2.794 1.00 . A A . 9 TRP O 1 1 3 594 1 1 10 THR C C 0.004 1.575 2.572 1.00 . A A . 10 THR C 1 1 3 595 1 1 10 THR CA C 1.007 0.442 2.368 1.00 . A A . 10 THR CA 1 1 3 596 1 1 10 THR CB C 2.342 1.011 1.884 1.00 . A A . 10 THR CB 1 1 3 597 1 1 10 THR CG2 C 3.310 1.306 3.010 1.00 . A A . 10 THR CG2 1 1 3 598 1 1 10 THR H H 0.183 -0.250 0.541 1.00 . A A . 10 THR H 1 1 3 599 1 1 10 THR HA H 1.162 -0.057 3.313 1.00 . A A . 10 THR HA 1 1 3 600 1 1 10 THR HB H 2.157 1.936 1.356 1.00 . A A . 10 THR HB 1 1 3 601 1 1 10 THR HG1 H 3.169 -0.711 1.455 1.00 . A A . 10 THR HG1 1 1 3 602 1 1 10 THR HG21 H 4.278 1.550 2.597 1.00 . A A . 10 THR HG21 1 1 3 603 1 1 10 THR HG22 H 3.397 0.438 3.646 1.00 . A A . 10 THR HG22 1 1 3 604 1 1 10 THR HG23 H 2.945 2.142 3.589 1.00 . A A . 10 THR HG23 1 1 3 605 1 1 10 THR N N 0.505 -0.547 1.417 1.00 . A A . 10 THR N 1 1 3 606 1 1 10 THR O O -0.703 1.964 1.645 1.00 . A A . 10 THR O 1 1 3 607 1 1 10 THR OG1 O 2.978 0.110 0.996 1.00 . A A . 10 THR OG1 1 1 3 608 1 1 11 TRP C C -0.266 4.545 3.973 1.00 . A A . 11 TRP C 1 1 3 609 1 1 11 TRP CA C -0.962 3.195 4.111 1.00 . A A . 11 TRP CA 1 1 3 610 1 1 11 TRP CB C -1.510 3.034 5.531 1.00 . A A . 11 TRP CB 1 1 3 611 1 1 11 TRP CD1 C -2.290 5.219 6.618 1.00 . A A . 11 TRP CD1 1 1 3 612 1 1 11 TRP CD2 C -3.913 4.082 5.574 1.00 . A A . 11 TRP CD2 1 1 3 613 1 1 11 TRP CE2 C -4.468 5.253 6.125 1.00 . A A . 11 TRP CE2 1 1 3 614 1 1 11 TRP CE3 C -4.748 3.209 4.868 1.00 . A A . 11 TRP CE3 1 1 3 615 1 1 11 TRP CG C -2.518 4.080 5.901 1.00 . A A . 11 TRP CG 1 1 3 616 1 1 11 TRP CH2 C -6.610 4.700 5.297 1.00 . A A . 11 TRP CH2 1 1 3 617 1 1 11 TRP CZ2 C -5.817 5.572 5.993 1.00 . A A . 11 TRP CZ2 1 1 3 618 1 1 11 TRP CZ3 C -6.087 3.528 4.738 1.00 . A A . 11 TRP CZ3 1 1 3 619 1 1 11 TRP H H 0.544 1.755 4.490 1.00 . A A . 11 TRP H 1 1 3 620 1 1 11 TRP HA H -1.784 3.154 3.411 1.00 . A A . 11 TRP HA 1 1 3 621 1 1 11 TRP HB2 H -1.986 2.068 5.620 1.00 . A A . 11 TRP HB2 1 1 3 622 1 1 11 TRP HB3 H -0.690 3.096 6.235 1.00 . A A . 11 TRP HB3 1 1 3 623 1 1 11 TRP HD1 H -1.327 5.506 7.013 1.00 . A A . 11 TRP HD1 1 1 3 624 1 1 11 TRP HE1 H -3.552 6.782 7.232 1.00 . A A . 11 TRP HE1 1 1 3 625 1 1 11 TRP HE3 H -4.364 2.300 4.429 1.00 . A A . 11 TRP HE3 1 1 3 626 1 1 11 TRP HH2 H -7.662 4.908 5.171 1.00 . A A . 11 TRP HH2 1 1 3 627 1 1 11 TRP HZ2 H -6.236 6.472 6.418 1.00 . A A . 11 TRP HZ2 1 1 3 628 1 1 11 TRP HZ3 H -6.746 2.865 4.196 1.00 . A A . 11 TRP HZ3 1 1 3 629 1 1 11 TRP N N -0.048 2.104 3.791 1.00 . A A . 11 TRP N 1 1 3 630 1 1 11 TRP NE1 N -3.458 5.929 6.757 1.00 . A A . 11 TRP NE1 1 1 3 631 1 1 11 TRP O O 0.556 4.918 4.810 1.00 . A A . 11 TRP O 1 1 3 632 1 1 12 LYS C C -0.625 7.236 1.435 1.00 . A A . 12 LYS C 1 1 3 633 1 1 12 LYS CA C -0.007 6.581 2.666 1.00 . A A . 12 LYS CA 1 1 3 634 1 1 12 LYS CB C 1.506 6.451 2.484 1.00 . A A . 12 LYS CB 1 1 3 635 1 1 12 LYS CD C 3.682 7.703 2.364 1.00 . A A . 12 LYS CD 1 1 3 636 1 1 12 LYS CE C 4.092 9.118 1.989 1.00 . A A . 12 LYS CE 1 1 3 637 1 1 12 LYS CG C 2.284 7.667 2.959 1.00 . A A . 12 LYS CG 1 1 3 638 1 1 12 LYS H H -1.263 4.921 2.281 1.00 . A A . 12 LYS H 1 1 3 639 1 1 12 LYS HA H -0.205 7.202 3.527 1.00 . A A . 12 LYS HA 1 1 3 640 1 1 12 LYS HB2 H 1.851 5.590 3.039 1.00 . A A . 12 LYS HB2 1 1 3 641 1 1 12 LYS HB3 H 1.719 6.301 1.436 1.00 . A A . 12 LYS HB3 1 1 3 642 1 1 12 LYS HD2 H 4.382 7.316 3.089 1.00 . A A . 12 LYS HD2 1 1 3 643 1 1 12 LYS HD3 H 3.701 7.086 1.477 1.00 . A A . 12 LYS HD3 1 1 3 644 1 1 12 LYS HE2 H 3.557 9.411 1.098 1.00 . A A . 12 LYS HE2 1 1 3 645 1 1 12 LYS HE3 H 3.830 9.782 2.800 1.00 . A A . 12 LYS HE3 1 1 3 646 1 1 12 LYS HG2 H 1.754 8.560 2.662 1.00 . A A . 12 LYS HG2 1 1 3 647 1 1 12 LYS HG3 H 2.361 7.635 4.036 1.00 . A A . 12 LYS HG3 1 1 3 648 1 1 12 LYS HZ1 H 5.939 8.292 1.467 1.00 . A A . 12 LYS HZ1 1 1 3 649 1 1 12 LYS HZ2 H 6.046 9.557 2.585 1.00 . A A . 12 LYS HZ2 1 1 3 650 1 1 12 LYS HZ3 H 5.735 9.893 0.956 1.00 . A A . 12 LYS HZ3 1 1 3 651 1 1 12 LYS N N -0.601 5.272 2.913 1.00 . A A . 12 LYS N 1 1 3 652 1 1 12 LYS NZ N 5.555 9.222 1.731 1.00 . A A . 12 LYS NZ 1 1 3 653 1 1 12 LYS O O -1.245 6.567 0.609 1.00 . A A . 12 LYS O 1 1 3 654 1 1 13 NH2 N N -0.567 8.561 1.367 1.00 . A A . 13 NH2 N 1 1 4 655 1 1 1 SER C C -4.674 3.895 1.664 1.00 . A A . 1 SER C 1 1 4 656 1 1 1 SER CA C -5.758 4.965 1.711 1.00 . A A . 1 SER CA 1 1 4 657 1 1 1 SER CB C -5.885 5.649 0.349 1.00 . A A . 1 SER CB 1 1 4 658 1 1 1 SER H1 H -5.058 5.512 3.567 1.00 . A A . 1 SER H1 1 1 4 659 1 1 1 SER H2 H -6.338 6.487 2.968 1.00 . A A . 1 SER H2 1 1 4 660 1 1 1 SER H3 H -4.755 6.653 2.325 1.00 . A A . 1 SER H3 1 1 4 661 1 1 1 SER HA H -6.699 4.498 1.965 1.00 . A A . 1 SER HA 1 1 4 662 1 1 1 SER HB2 H -5.732 4.921 -0.433 1.00 . A A . 1 SER HB2 1 1 4 663 1 1 1 SER HB3 H -6.872 6.077 0.255 1.00 . A A . 1 SER HB3 1 1 4 664 1 1 1 SER HG H -4.042 6.309 0.267 1.00 . A A . 1 SER HG 1 1 4 665 1 1 1 SER N N -5.449 5.997 2.735 1.00 . A A . 1 SER N 1 1 4 666 1 1 1 SER O O -3.664 3.986 2.361 1.00 . A A . 1 SER O 1 1 4 667 1 1 1 SER OG O -4.925 6.681 0.205 1.00 . A A . 1 SER OG 1 1 4 668 1 1 2 TRP C C -3.246 1.827 -0.648 1.00 . A A . 2 TRP C 1 1 4 669 1 1 2 TRP CA C -3.949 1.781 0.702 1.00 . A A . 2 TRP CA 1 1 4 670 1 1 2 TRP CB C -4.672 0.446 0.864 1.00 . A A . 2 TRP CB 1 1 4 671 1 1 2 TRP CD1 C -6.254 0.017 2.836 1.00 . A A . 2 TRP CD1 1 1 4 672 1 1 2 TRP CD2 C -4.081 -0.027 3.348 1.00 . A A . 2 TRP CD2 1 1 4 673 1 1 2 TRP CE2 C -4.816 -0.278 4.519 1.00 . A A . 2 TRP CE2 1 1 4 674 1 1 2 TRP CE3 C -2.691 -0.001 3.413 1.00 . A A . 2 TRP CE3 1 1 4 675 1 1 2 TRP CG C -5.013 0.151 2.287 1.00 . A A . 2 TRP CG 1 1 4 676 1 1 2 TRP CH2 C -2.830 -0.469 5.782 1.00 . A A . 2 TRP CH2 1 1 4 677 1 1 2 TRP CZ2 C -4.199 -0.503 5.747 1.00 . A A . 2 TRP CZ2 1 1 4 678 1 1 2 TRP CZ3 C -2.079 -0.220 4.624 1.00 . A A . 2 TRP CZ3 1 1 4 679 1 1 2 TRP H H -5.725 2.861 0.317 1.00 . A A . 2 TRP H 1 1 4 680 1 1 2 TRP HA H -3.207 1.872 1.490 1.00 . A A . 2 TRP HA 1 1 4 681 1 1 2 TRP HB2 H -5.584 0.460 0.291 1.00 . A A . 2 TRP HB2 1 1 4 682 1 1 2 TRP HB3 H -4.035 -0.347 0.501 1.00 . A A . 2 TRP HB3 1 1 4 683 1 1 2 TRP HD1 H -7.177 0.106 2.283 1.00 . A A . 2 TRP HD1 1 1 4 684 1 1 2 TRP HE1 H -6.894 -0.391 4.798 1.00 . A A . 2 TRP HE1 1 1 4 685 1 1 2 TRP HE3 H -2.095 0.188 2.533 1.00 . A A . 2 TRP HE3 1 1 4 686 1 1 2 TRP HH2 H -2.307 -0.635 6.712 1.00 . A A . 2 TRP HH2 1 1 4 687 1 1 2 TRP HZ2 H -4.765 -0.696 6.646 1.00 . A A . 2 TRP HZ2 1 1 4 688 1 1 2 TRP HZ3 H -1.005 -0.196 4.687 1.00 . A A . 2 TRP HZ3 1 1 4 689 1 1 2 TRP N N -4.898 2.877 0.841 1.00 . A A . 2 TRP N 1 1 4 690 1 1 2 TRP NE1 N -6.145 -0.248 4.182 1.00 . A A . 2 TRP NE1 1 1 4 691 1 1 2 TRP O O -3.888 1.936 -1.693 1.00 . A A . 2 TRP O 1 1 4 692 1 1 3 THR C C -0.471 0.380 -2.032 1.00 . A A . 3 THR C 1 1 4 693 1 1 3 THR CA C -1.125 1.740 -1.834 1.00 . A A . 3 THR CA 1 1 4 694 1 1 3 THR CB C -0.058 2.833 -1.764 1.00 . A A . 3 THR CB 1 1 4 695 1 1 3 THR CG2 C 0.736 2.813 -0.476 1.00 . A A . 3 THR CG2 1 1 4 696 1 1 3 THR H H -1.473 1.632 0.246 1.00 . A A . 3 THR H 1 1 4 697 1 1 3 THR HA H -1.784 1.938 -2.666 1.00 . A A . 3 THR HA 1 1 4 698 1 1 3 THR HB H -0.540 3.798 -1.840 1.00 . A A . 3 THR HB 1 1 4 699 1 1 3 THR HG1 H 1.177 3.578 -3.089 1.00 . A A . 3 THR HG1 1 1 4 700 1 1 3 THR HG21 H 0.785 1.802 -0.099 1.00 . A A . 3 THR HG21 1 1 4 701 1 1 3 THR HG22 H 0.254 3.446 0.254 1.00 . A A . 3 THR HG22 1 1 4 702 1 1 3 THR HG23 H 1.736 3.176 -0.663 1.00 . A A . 3 THR HG23 1 1 4 703 1 1 3 THR N N -1.923 1.728 -0.618 1.00 . A A . 3 THR N 1 1 4 704 1 1 3 THR O O 0.157 -0.153 -1.119 1.00 . A A . 3 THR O 1 1 4 705 1 1 3 THR OG1 O 0.860 2.709 -2.836 1.00 . A A . 3 THR OG1 1 1 4 706 1 1 4 TRP C C 1.201 -1.325 -4.361 1.00 . A A . 4 TRP C 1 1 4 707 1 1 4 TRP CA C -0.063 -1.484 -3.519 1.00 . A A . 4 TRP CA 1 1 4 708 1 1 4 TRP CB C -1.125 -2.310 -4.244 1.00 . A A . 4 TRP CB 1 1 4 709 1 1 4 TRP CD1 C -0.166 -3.647 -6.183 1.00 . A A . 4 TRP CD1 1 1 4 710 1 1 4 TRP CD2 C -0.519 -4.845 -4.329 1.00 . A A . 4 TRP CD2 1 1 4 711 1 1 4 TRP CE2 C -0.006 -5.701 -5.320 1.00 . A A . 4 TRP CE2 1 1 4 712 1 1 4 TRP CE3 C -0.819 -5.369 -3.070 1.00 . A A . 4 TRP CE3 1 1 4 713 1 1 4 TRP CG C -0.614 -3.543 -4.905 1.00 . A A . 4 TRP CG 1 1 4 714 1 1 4 TRP CH2 C -0.092 -7.544 -3.843 1.00 . A A . 4 TRP CH2 1 1 4 715 1 1 4 TRP CZ2 C 0.211 -7.057 -5.088 1.00 . A A . 4 TRP CZ2 1 1 4 716 1 1 4 TRP CZ3 C -0.602 -6.711 -2.839 1.00 . A A . 4 TRP CZ3 1 1 4 717 1 1 4 TRP H H -1.145 0.277 -3.914 1.00 . A A . 4 TRP H 1 1 4 718 1 1 4 TRP HA H 0.189 -1.966 -2.587 1.00 . A A . 4 TRP HA 1 1 4 719 1 1 4 TRP HB2 H -1.878 -2.610 -3.531 1.00 . A A . 4 TRP HB2 1 1 4 720 1 1 4 TRP HB3 H -1.587 -1.694 -5.002 1.00 . A A . 4 TRP HB3 1 1 4 721 1 1 4 TRP HD1 H -0.117 -2.817 -6.873 1.00 . A A . 4 TRP HD1 1 1 4 722 1 1 4 TRP HE1 H 0.554 -5.276 -7.300 1.00 . A A . 4 TRP HE1 1 1 4 723 1 1 4 TRP HE3 H -1.212 -4.741 -2.285 1.00 . A A . 4 TRP HE3 1 1 4 724 1 1 4 TRP HH2 H 0.062 -8.589 -3.619 1.00 . A A . 4 TRP HH2 1 1 4 725 1 1 4 TRP HZ2 H 0.604 -7.712 -5.852 1.00 . A A . 4 TRP HZ2 1 1 4 726 1 1 4 TRP HZ3 H -0.824 -7.131 -1.868 1.00 . A A . 4 TRP HZ3 1 1 4 727 1 1 4 TRP N N -0.628 -0.185 -3.221 1.00 . A A . 4 TRP N 1 1 4 728 1 1 4 TRP NE1 N 0.201 -4.946 -6.447 1.00 . A A . 4 TRP NE1 1 1 4 729 1 1 4 TRP O O 1.197 -0.623 -5.372 1.00 . A A . 4 TRP O 1 1 4 730 1 1 5 GLU C C 4.312 -3.180 -4.682 1.00 . A A . 5 GLU C 1 1 4 731 1 1 5 GLU CA C 3.554 -1.856 -4.643 1.00 . A A . 5 GLU CA 1 1 4 732 1 1 5 GLU CB C 4.430 -0.779 -4.001 1.00 . A A . 5 GLU CB 1 1 4 733 1 1 5 GLU CD C 5.206 1.516 -4.718 1.00 . A A . 5 GLU CD 1 1 4 734 1 1 5 GLU CG C 5.237 0.027 -5.005 1.00 . A A . 5 GLU CG 1 1 4 735 1 1 5 GLU H H 2.240 -2.494 -3.107 1.00 . A A . 5 GLU H 1 1 4 736 1 1 5 GLU HA H 3.332 -1.558 -5.656 1.00 . A A . 5 GLU HA 1 1 4 737 1 1 5 GLU HB2 H 3.796 -0.097 -3.449 1.00 . A A . 5 GLU HB2 1 1 4 738 1 1 5 GLU HB3 H 5.120 -1.254 -3.315 1.00 . A A . 5 GLU HB3 1 1 4 739 1 1 5 GLU HG2 H 6.263 -0.308 -4.976 1.00 . A A . 5 GLU HG2 1 1 4 740 1 1 5 GLU HG3 H 4.832 -0.143 -5.992 1.00 . A A . 5 GLU HG3 1 1 4 741 1 1 5 GLU N N 2.288 -1.961 -3.928 1.00 . A A . 5 GLU N 1 1 4 742 1 1 5 GLU O O 4.839 -3.641 -3.669 1.00 . A A . 5 GLU O 1 1 4 743 1 1 5 GLU OE1 O 4.117 2.037 -4.400 1.00 . A A . 5 GLU OE1 1 1 4 744 1 1 5 GLU OE2 O 6.272 2.160 -4.810 1.00 . A A . 5 GLU OE2 1 1 4 745 1 1 6 ASN C C 4.812 -6.072 -5.021 1.00 . A A . 6 ASN C 1 1 4 746 1 1 6 ASN CA C 5.112 -5.015 -6.087 1.00 . A A . 6 ASN CA 1 1 4 747 1 1 6 ASN CB C 6.617 -4.745 -6.133 1.00 . A A . 6 ASN CB 1 1 4 748 1 1 6 ASN CG C 7.324 -5.588 -7.176 1.00 . A A . 6 ASN CG 1 1 4 749 1 1 6 ASN H H 3.967 -3.326 -6.640 1.00 . A A . 6 ASN H 1 1 4 750 1 1 6 ASN HA H 4.808 -5.404 -7.046 1.00 . A A . 6 ASN HA 1 1 4 751 1 1 6 ASN HB2 H 6.782 -3.702 -6.369 1.00 . A A . 6 ASN HB2 1 1 4 752 1 1 6 ASN HB3 H 7.047 -4.966 -5.164 1.00 . A A . 6 ASN HB3 1 1 4 753 1 1 6 ASN HD21 H 6.570 -4.463 -8.632 1.00 . A A . 6 ASN HD21 1 1 4 754 1 1 6 ASN HD22 H 7.587 -5.765 -9.139 1.00 . A A . 6 ASN HD22 1 1 4 755 1 1 6 ASN N N 4.390 -3.764 -5.872 1.00 . A A . 6 ASN N 1 1 4 756 1 1 6 ASN ND2 N 7.142 -5.237 -8.443 1.00 . A A . 6 ASN ND2 1 1 4 757 1 1 6 ASN O O 5.722 -6.756 -4.551 1.00 . A A . 6 ASN O 1 1 4 758 1 1 6 ASN OD1 O 8.025 -6.545 -6.846 1.00 . A A . 6 ASN OD1 1 1 4 759 1 1 7 GLY C C 3.091 -6.739 -2.257 1.00 . A A . 7 GLY C 1 1 4 760 1 1 7 GLY CA C 3.188 -7.248 -3.685 1.00 . A A . 7 GLY CA 1 1 4 761 1 1 7 GLY H H 2.845 -5.686 -5.082 1.00 . A A . 7 GLY H 1 1 4 762 1 1 7 GLY HA2 H 2.242 -7.677 -3.961 1.00 . A A . 7 GLY HA2 1 1 4 763 1 1 7 GLY HA3 H 3.936 -8.027 -3.720 1.00 . A A . 7 GLY HA3 1 1 4 764 1 1 7 GLY N N 3.542 -6.234 -4.664 1.00 . A A . 7 GLY N 1 1 4 765 1 1 7 GLY O O 3.189 -7.529 -1.318 1.00 . A A . 7 GLY O 1 1 4 766 1 1 8 LYS C C 1.836 -3.724 -0.617 1.00 . A A . 8 LYS C 1 1 4 767 1 1 8 LYS CA C 2.820 -4.889 -0.719 1.00 . A A . 8 LYS CA 1 1 4 768 1 1 8 LYS CB C 4.202 -4.442 -0.240 1.00 . A A . 8 LYS CB 1 1 4 769 1 1 8 LYS CD C 4.488 -5.511 2.016 1.00 . A A . 8 LYS CD 1 1 4 770 1 1 8 LYS CE C 4.342 -6.929 2.545 1.00 . A A . 8 LYS CE 1 1 4 771 1 1 8 LYS CG C 4.938 -5.502 0.564 1.00 . A A . 8 LYS CG 1 1 4 772 1 1 8 LYS H H 2.844 -4.836 -2.845 1.00 . A A . 8 LYS H 1 1 4 773 1 1 8 LYS HA H 2.473 -5.683 -0.074 1.00 . A A . 8 LYS HA 1 1 4 774 1 1 8 LYS HB2 H 4.805 -4.191 -1.100 1.00 . A A . 8 LYS HB2 1 1 4 775 1 1 8 LYS HB3 H 4.091 -3.564 0.379 1.00 . A A . 8 LYS HB3 1 1 4 776 1 1 8 LYS HD2 H 5.220 -4.989 2.614 1.00 . A A . 8 LYS HD2 1 1 4 777 1 1 8 LYS HD3 H 3.535 -5.009 2.091 1.00 . A A . 8 LYS HD3 1 1 4 778 1 1 8 LYS HE2 H 3.775 -6.901 3.463 1.00 . A A . 8 LYS HE2 1 1 4 779 1 1 8 LYS HE3 H 3.811 -7.520 1.813 1.00 . A A . 8 LYS HE3 1 1 4 780 1 1 8 LYS HG2 H 4.741 -6.470 0.130 1.00 . A A . 8 LYS HG2 1 1 4 781 1 1 8 LYS HG3 H 5.998 -5.297 0.526 1.00 . A A . 8 LYS HG3 1 1 4 782 1 1 8 LYS HZ1 H 5.549 -8.586 2.946 1.00 . A A . 8 LYS HZ1 1 1 4 783 1 1 8 LYS HZ2 H 6.086 -7.157 3.672 1.00 . A A . 8 LYS HZ2 1 1 4 784 1 1 8 LYS HZ3 H 6.307 -7.396 2.012 1.00 . A A . 8 LYS HZ3 1 1 4 785 1 1 8 LYS N N 2.910 -5.435 -2.072 1.00 . A A . 8 LYS N 1 1 4 786 1 1 8 LYS NZ N 5.663 -7.561 2.813 1.00 . A A . 8 LYS NZ 1 1 4 787 1 1 8 LYS O O 1.887 -2.776 -1.401 1.00 . A A . 8 LYS O 1 1 4 788 1 1 9 TRP C C 0.475 -1.806 1.714 1.00 . A A . 9 TRP C 1 1 4 789 1 1 9 TRP CA C -0.036 -2.760 0.635 1.00 . A A . 9 TRP CA 1 1 4 790 1 1 9 TRP CB C -1.357 -3.391 1.088 1.00 . A A . 9 TRP CB 1 1 4 791 1 1 9 TRP CD1 C -2.622 -5.092 -0.299 1.00 . A A . 9 TRP CD1 1 1 4 792 1 1 9 TRP CD2 C -2.873 -2.993 -1.020 1.00 . A A . 9 TRP CD2 1 1 4 793 1 1 9 TRP CE2 C -3.607 -3.847 -1.866 1.00 . A A . 9 TRP CE2 1 1 4 794 1 1 9 TRP CE3 C -2.886 -1.618 -1.278 1.00 . A A . 9 TRP CE3 1 1 4 795 1 1 9 TRP CG C -2.243 -3.820 -0.033 1.00 . A A . 9 TRP CG 1 1 4 796 1 1 9 TRP CH2 C -4.338 -2.025 -3.176 1.00 . A A . 9 TRP CH2 1 1 4 797 1 1 9 TRP CZ2 C -4.344 -3.373 -2.948 1.00 . A A . 9 TRP CZ2 1 1 4 798 1 1 9 TRP CZ3 C -3.619 -1.149 -2.352 1.00 . A A . 9 TRP CZ3 1 1 4 799 1 1 9 TRP H H 0.986 -4.582 0.975 1.00 . A A . 9 TRP H 1 1 4 800 1 1 9 TRP HA H -0.195 -2.211 -0.281 1.00 . A A . 9 TRP HA 1 1 4 801 1 1 9 TRP HB2 H -1.139 -4.263 1.684 1.00 . A A . 9 TRP HB2 1 1 4 802 1 1 9 TRP HB3 H -1.903 -2.690 1.687 1.00 . A A . 9 TRP HB3 1 1 4 803 1 1 9 TRP HD1 H -2.310 -5.938 0.285 1.00 . A A . 9 TRP HD1 1 1 4 804 1 1 9 TRP HE1 H -3.831 -5.933 -1.797 1.00 . A A . 9 TRP HE1 1 1 4 805 1 1 9 TRP HE3 H -2.343 -0.926 -0.652 1.00 . A A . 9 TRP HE3 1 1 4 806 1 1 9 TRP HH2 H -4.897 -1.613 -4.004 1.00 . A A . 9 TRP HH2 1 1 4 807 1 1 9 TRP HZ2 H -4.904 -4.035 -3.592 1.00 . A A . 9 TRP HZ2 1 1 4 808 1 1 9 TRP HZ3 H -3.641 -0.092 -2.567 1.00 . A A . 9 TRP HZ3 1 1 4 809 1 1 9 TRP N N 0.956 -3.803 0.381 1.00 . A A . 9 TRP N 1 1 4 810 1 1 9 TRP NE1 N -3.436 -5.126 -1.404 1.00 . A A . 9 TRP NE1 1 1 4 811 1 1 9 TRP O O 0.868 -2.241 2.797 1.00 . A A . 9 TRP O 1 1 4 812 1 1 10 THR C C -0.066 1.603 2.574 1.00 . A A . 10 THR C 1 1 4 813 1 1 10 THR CA C 0.956 0.487 2.376 1.00 . A A . 10 THR CA 1 1 4 814 1 1 10 THR CB C 2.288 1.079 1.907 1.00 . A A . 10 THR CB 1 1 4 815 1 1 10 THR CG2 C 3.308 1.206 3.018 1.00 . A A . 10 THR CG2 1 1 4 816 1 1 10 THR H H 0.161 -0.216 0.539 1.00 . A A . 10 THR H 1 1 4 817 1 1 10 THR HA H 1.110 -0.012 3.321 1.00 . A A . 10 THR HA 1 1 4 818 1 1 10 THR HB H 2.111 2.067 1.507 1.00 . A A . 10 THR HB 1 1 4 819 1 1 10 THR HG1 H 2.809 -0.644 1.134 1.00 . A A . 10 THR HG1 1 1 4 820 1 1 10 THR HG21 H 2.854 1.688 3.870 1.00 . A A . 10 THR HG21 1 1 4 821 1 1 10 THR HG22 H 4.144 1.797 2.673 1.00 . A A . 10 THR HG22 1 1 4 822 1 1 10 THR HG23 H 3.655 0.224 3.302 1.00 . A A . 10 THR HG23 1 1 4 823 1 1 10 THR N N 0.479 -0.509 1.418 1.00 . A A . 10 THR N 1 1 4 824 1 1 10 THR O O -0.822 1.934 1.663 1.00 . A A . 10 THR O 1 1 4 825 1 1 10 THR OG1 O 2.862 0.282 0.886 1.00 . A A . 10 THR OG1 1 1 4 826 1 1 11 TRP C C -0.291 4.613 4.057 1.00 . A A . 11 TRP C 1 1 4 827 1 1 11 TRP CA C -1.006 3.266 4.082 1.00 . A A . 11 TRP CA 1 1 4 828 1 1 11 TRP CB C -1.648 3.043 5.453 1.00 . A A . 11 TRP CB 1 1 4 829 1 1 11 TRP CD1 C -2.473 5.236 6.486 1.00 . A A . 11 TRP CD1 1 1 4 830 1 1 11 TRP CD2 C -4.075 4.034 5.484 1.00 . A A . 11 TRP CD2 1 1 4 831 1 1 11 TRP CE2 C -4.654 5.206 6.007 1.00 . A A . 11 TRP CE2 1 1 4 832 1 1 11 TRP CE3 C -4.892 3.123 4.807 1.00 . A A . 11 TRP CE3 1 1 4 833 1 1 11 TRP CG C -2.678 4.073 5.801 1.00 . A A . 11 TRP CG 1 1 4 834 1 1 11 TRP CH2 C -6.787 4.580 5.209 1.00 . A A . 11 TRP CH2 1 1 4 835 1 1 11 TRP CZ2 C -6.011 5.489 5.875 1.00 . A A . 11 TRP CZ2 1 1 4 836 1 1 11 TRP CZ3 C -6.239 3.406 4.677 1.00 . A A . 11 TRP CZ3 1 1 4 837 1 1 11 TRP H H 0.550 1.879 4.456 1.00 . A A . 11 TRP H 1 1 4 838 1 1 11 TRP HA H -1.779 3.268 3.328 1.00 . A A . 11 TRP HA 1 1 4 839 1 1 11 TRP HB2 H -2.129 2.075 5.465 1.00 . A A . 11 TRP HB2 1 1 4 840 1 1 11 TRP HB3 H -0.877 3.069 6.212 1.00 . A A . 11 TRP HB3 1 1 4 841 1 1 11 TRP HD1 H -1.515 5.557 6.867 1.00 . A A . 11 TRP HD1 1 1 4 842 1 1 11 TRP HE1 H -3.768 6.785 7.066 1.00 . A A . 11 TRP HE1 1 1 4 843 1 1 11 TRP HE3 H -4.489 2.211 4.390 1.00 . A A . 11 TRP HE3 1 1 4 844 1 1 11 TRP HH2 H -7.844 4.759 5.084 1.00 . A A . 11 TRP HH2 1 1 4 845 1 1 11 TRP HZ2 H -6.449 6.390 6.279 1.00 . A A . 11 TRP HZ2 1 1 4 846 1 1 11 TRP HZ3 H -6.886 2.713 4.159 1.00 . A A . 11 TRP HZ3 1 1 4 847 1 1 11 TRP N N -0.080 2.183 3.769 1.00 . A A . 11 TRP N 1 1 4 848 1 1 11 TRP NE1 N -3.656 5.923 6.614 1.00 . A A . 11 TRP NE1 1 1 4 849 1 1 11 TRP O O 0.399 4.978 5.009 1.00 . A A . 11 TRP O 1 1 4 850 1 1 12 LYS C C -0.310 7.350 1.547 1.00 . A A . 12 LYS C 1 1 4 851 1 1 12 LYS CA C 0.174 6.652 2.814 1.00 . A A . 12 LYS CA 1 1 4 852 1 1 12 LYS CB C 1.696 6.503 2.779 1.00 . A A . 12 LYS CB 1 1 4 853 1 1 12 LYS CD C 2.819 7.271 4.892 1.00 . A A . 12 LYS CD 1 1 4 854 1 1 12 LYS CE C 4.203 7.789 5.248 1.00 . A A . 12 LYS CE 1 1 4 855 1 1 12 LYS CG C 2.435 7.639 3.468 1.00 . A A . 12 LYS CG 1 1 4 856 1 1 12 LYS H H -1.018 5.001 2.236 1.00 . A A . 12 LYS H 1 1 4 857 1 1 12 LYS HA H -0.101 7.252 3.669 1.00 . A A . 12 LYS HA 1 1 4 858 1 1 12 LYS HB2 H 1.967 5.578 3.267 1.00 . A A . 12 LYS HB2 1 1 4 859 1 1 12 LYS HB3 H 2.019 6.463 1.749 1.00 . A A . 12 LYS HB3 1 1 4 860 1 1 12 LYS HD2 H 2.099 7.701 5.572 1.00 . A A . 12 LYS HD2 1 1 4 861 1 1 12 LYS HD3 H 2.811 6.195 4.991 1.00 . A A . 12 LYS HD3 1 1 4 862 1 1 12 LYS HE2 H 4.934 7.275 4.641 1.00 . A A . 12 LYS HE2 1 1 4 863 1 1 12 LYS HE3 H 4.243 8.848 5.037 1.00 . A A . 12 LYS HE3 1 1 4 864 1 1 12 LYS HG2 H 3.333 7.862 2.911 1.00 . A A . 12 LYS HG2 1 1 4 865 1 1 12 LYS HG3 H 1.797 8.510 3.490 1.00 . A A . 12 LYS HG3 1 1 4 866 1 1 12 LYS HZ1 H 3.959 6.783 7.063 1.00 . A A . 12 LYS HZ1 1 1 4 867 1 1 12 LYS HZ2 H 4.319 8.427 7.234 1.00 . A A . 12 LYS HZ2 1 1 4 868 1 1 12 LYS HZ3 H 5.535 7.337 6.793 1.00 . A A . 12 LYS HZ3 1 1 4 869 1 1 12 LYS N N -0.458 5.346 2.962 1.00 . A A . 12 LYS N 1 1 4 870 1 1 12 LYS NZ N 4.527 7.569 6.685 1.00 . A A . 12 LYS NZ 1 1 4 871 1 1 12 LYS O O -0.395 6.739 0.482 1.00 . A A . 12 LYS O 1 1 4 872 1 1 13 NH2 N N -0.529 8.657 1.628 1.00 . A A . 13 NH2 N 1 1 5 873 1 1 1 SER C C -4.614 4.182 2.001 1.00 . A A . 1 SER C 1 1 5 874 1 1 1 SER CA C -5.661 5.280 2.150 1.00 . A A . 1 SER CA 1 1 5 875 1 1 1 SER CB C -6.068 5.813 0.775 1.00 . A A . 1 SER CB 1 1 5 876 1 1 1 SER H1 H -4.583 7.024 2.339 1.00 . A A . 1 SER H1 1 1 5 877 1 1 1 SER H2 H -4.553 6.009 3.722 1.00 . A A . 1 SER H2 1 1 5 878 1 1 1 SER H3 H -5.960 6.921 3.355 1.00 . A A . 1 SER H3 1 1 5 879 1 1 1 SER HA H -6.530 4.868 2.644 1.00 . A A . 1 SER HA 1 1 5 880 1 1 1 SER HB2 H -5.184 6.100 0.226 1.00 . A A . 1 SER HB2 1 1 5 881 1 1 1 SER HB3 H -6.594 5.041 0.233 1.00 . A A . 1 SER HB3 1 1 5 882 1 1 1 SER HG H -6.666 7.602 0.245 1.00 . A A . 1 SER HG 1 1 5 883 1 1 1 SER N N -5.142 6.410 2.965 1.00 . A A . 1 SER N 1 1 5 884 1 1 1 SER O O -3.525 4.266 2.567 1.00 . A A . 1 SER O 1 1 5 885 1 1 1 SER OG O -6.915 6.943 0.897 1.00 . A A . 1 SER OG 1 1 5 886 1 1 2 TRP C C -3.523 2.019 -0.408 1.00 . A A . 2 TRP C 1 1 5 887 1 1 2 TRP CA C -4.059 2.027 1.018 1.00 . A A . 2 TRP CA 1 1 5 888 1 1 2 TRP CB C -4.788 0.718 1.306 1.00 . A A . 2 TRP CB 1 1 5 889 1 1 2 TRP CD1 C -6.035 0.362 3.519 1.00 . A A . 2 TRP CD1 1 1 5 890 1 1 2 TRP CD2 C -3.811 0.224 3.657 1.00 . A A . 2 TRP CD2 1 1 5 891 1 1 2 TRP CE2 C -4.346 0.006 4.937 1.00 . A A . 2 TRP CE2 1 1 5 892 1 1 2 TRP CE3 C -2.431 0.190 3.484 1.00 . A A . 2 TRP CE3 1 1 5 893 1 1 2 TRP CG C -4.899 0.440 2.768 1.00 . A A . 2 TRP CG 1 1 5 894 1 1 2 TRP CH2 C -2.185 -0.268 5.846 1.00 . A A . 2 TRP CH2 1 1 5 895 1 1 2 TRP CZ2 C -3.540 -0.242 6.045 1.00 . A A . 2 TRP CZ2 1 1 5 896 1 1 2 TRP CZ3 C -1.632 -0.053 4.576 1.00 . A A . 2 TRP CZ3 1 1 5 897 1 1 2 TRP H H -5.845 3.142 0.821 1.00 . A A . 2 TRP H 1 1 5 898 1 1 2 TRP HA H -3.225 2.119 1.708 1.00 . A A . 2 TRP HA 1 1 5 899 1 1 2 TRP HB2 H -5.780 0.759 0.890 1.00 . A A . 2 TRP HB2 1 1 5 900 1 1 2 TRP HB3 H -4.245 -0.097 0.851 1.00 . A A . 2 TRP HB3 1 1 5 901 1 1 2 TRP HD1 H -7.033 0.491 3.129 1.00 . A A . 2 TRP HD1 1 1 5 902 1 1 2 TRP HE1 H -6.351 -0.015 5.564 1.00 . A A . 2 TRP HE1 1 1 5 903 1 1 2 TRP HE3 H -1.987 0.351 2.514 1.00 . A A . 2 TRP HE3 1 1 5 904 1 1 2 TRP HH2 H -1.518 -0.454 6.676 1.00 . A A . 2 TRP HH2 1 1 5 905 1 1 2 TRP HZ2 H -3.953 -0.409 7.029 1.00 . A A . 2 TRP HZ2 1 1 5 906 1 1 2 TRP HZ3 H -0.563 -0.074 4.454 1.00 . A A . 2 TRP HZ3 1 1 5 907 1 1 2 TRP N N -4.959 3.151 1.240 1.00 . A A . 2 TRP N 1 1 5 908 1 1 2 TRP NE1 N -5.711 0.094 4.829 1.00 . A A . 2 TRP NE1 1 1 5 909 1 1 2 TRP O O -4.283 2.114 -1.371 1.00 . A A . 2 TRP O 1 1 5 910 1 1 3 THR C C -0.792 0.536 -1.975 1.00 . A A . 3 THR C 1 1 5 911 1 1 3 THR CA C -1.559 1.843 -1.832 1.00 . A A . 3 THR CA 1 1 5 912 1 1 3 THR CB C -0.611 3.032 -1.999 1.00 . A A . 3 THR CB 1 1 5 913 1 1 3 THR CG2 C 0.382 3.169 -0.865 1.00 . A A . 3 THR CG2 1 1 5 914 1 1 3 THR H H -1.662 1.804 0.278 1.00 . A A . 3 THR H 1 1 5 915 1 1 3 THR HA H -2.325 1.887 -2.592 1.00 . A A . 3 THR HA 1 1 5 916 1 1 3 THR HB H -1.194 3.941 -2.040 1.00 . A A . 3 THR HB 1 1 5 917 1 1 3 THR HG1 H 0.098 3.758 -3.674 1.00 . A A . 3 THR HG1 1 1 5 918 1 1 3 THR HG21 H 1.145 3.883 -1.139 1.00 . A A . 3 THR HG21 1 1 5 919 1 1 3 THR HG22 H 0.840 2.211 -0.670 1.00 . A A . 3 THR HG22 1 1 5 920 1 1 3 THR HG23 H -0.129 3.512 0.022 1.00 . A A . 3 THR HG23 1 1 5 921 1 1 3 THR N N -2.209 1.887 -0.531 1.00 . A A . 3 THR N 1 1 5 922 1 1 3 THR O O -0.014 0.168 -1.095 1.00 . A A . 3 THR O 1 1 5 923 1 1 3 THR OG1 O 0.125 2.921 -3.204 1.00 . A A . 3 THR OG1 1 1 5 924 1 1 4 TRP C C 0.957 -1.218 -4.056 1.00 . A A . 4 TRP C 1 1 5 925 1 1 4 TRP CA C -0.349 -1.440 -3.298 1.00 . A A . 4 TRP CA 1 1 5 926 1 1 4 TRP CB C -1.311 -2.348 -4.068 1.00 . A A . 4 TRP CB 1 1 5 927 1 1 4 TRP CD1 C 0.004 -3.570 -5.880 1.00 . A A . 4 TRP CD1 1 1 5 928 1 1 4 TRP CD2 C -0.729 -4.887 -4.229 1.00 . A A . 4 TRP CD2 1 1 5 929 1 1 4 TRP CE2 C -0.043 -5.684 -5.161 1.00 . A A . 4 TRP CE2 1 1 5 930 1 1 4 TRP CE3 C -1.281 -5.491 -3.098 1.00 . A A . 4 TRP CE3 1 1 5 931 1 1 4 TRP CG C -0.687 -3.542 -4.710 1.00 . A A . 4 TRP CG 1 1 5 932 1 1 4 TRP CH2 C -0.449 -7.627 -3.879 1.00 . A A . 4 TRP CH2 1 1 5 933 1 1 4 TRP CZ2 C 0.102 -7.060 -4.996 1.00 . A A . 4 TRP CZ2 1 1 5 934 1 1 4 TRP CZ3 C -1.135 -6.854 -2.933 1.00 . A A . 4 TRP CZ3 1 1 5 935 1 1 4 TRP H H -1.652 0.159 -3.743 1.00 . A A . 4 TRP H 1 1 5 936 1 1 4 TRP HA H -0.132 -1.882 -2.337 1.00 . A A . 4 TRP HA 1 1 5 937 1 1 4 TRP HB2 H -2.068 -2.705 -3.388 1.00 . A A . 4 TRP HB2 1 1 5 938 1 1 4 TRP HB3 H -1.787 -1.767 -4.844 1.00 . A A . 4 TRP HB3 1 1 5 939 1 1 4 TRP HD1 H 0.203 -2.697 -6.485 1.00 . A A . 4 TRP HD1 1 1 5 940 1 1 4 TRP HE1 H 0.907 -5.137 -6.953 1.00 . A A . 4 TRP HE1 1 1 5 941 1 1 4 TRP HE3 H -1.810 -4.908 -2.359 1.00 . A A . 4 TRP HE3 1 1 5 942 1 1 4 TRP HH2 H -0.359 -8.690 -3.710 1.00 . A A . 4 TRP HH2 1 1 5 943 1 1 4 TRP HZ2 H 0.628 -7.669 -5.715 1.00 . A A . 4 TRP HZ2 1 1 5 944 1 1 4 TRP HZ3 H -1.556 -7.339 -2.064 1.00 . A A . 4 TRP HZ3 1 1 5 945 1 1 4 TRP N N -1.018 -0.172 -3.073 1.00 . A A . 4 TRP N 1 1 5 946 1 1 4 TRP NE1 N 0.396 -4.858 -6.164 1.00 . A A . 4 TRP NE1 1 1 5 947 1 1 4 TRP O O 0.978 -0.572 -5.103 1.00 . A A . 4 TRP O 1 1 5 948 1 1 5 GLU C C 4.221 -2.845 -3.983 1.00 . A A . 5 GLU C 1 1 5 949 1 1 5 GLU CA C 3.363 -1.590 -4.124 1.00 . A A . 5 GLU CA 1 1 5 950 1 1 5 GLU CB C 4.094 -0.395 -3.510 1.00 . A A . 5 GLU CB 1 1 5 951 1 1 5 GLU CD C 3.917 2.113 -3.255 1.00 . A A . 5 GLU CD 1 1 5 952 1 1 5 GLU CG C 3.772 0.927 -4.188 1.00 . A A . 5 GLU CG 1 1 5 953 1 1 5 GLU H H 1.969 -2.242 -2.666 1.00 . A A . 5 GLU H 1 1 5 954 1 1 5 GLU HA H 3.210 -1.397 -5.175 1.00 . A A . 5 GLU HA 1 1 5 955 1 1 5 GLU HB2 H 3.817 -0.316 -2.467 1.00 . A A . 5 GLU HB2 1 1 5 956 1 1 5 GLU HB3 H 5.160 -0.563 -3.583 1.00 . A A . 5 GLU HB3 1 1 5 957 1 1 5 GLU HG2 H 4.445 1.062 -5.023 1.00 . A A . 5 GLU HG2 1 1 5 958 1 1 5 GLU HG3 H 2.755 0.894 -4.549 1.00 . A A . 5 GLU HG3 1 1 5 959 1 1 5 GLU N N 2.049 -1.746 -3.507 1.00 . A A . 5 GLU N 1 1 5 960 1 1 5 GLU O O 4.220 -3.498 -2.938 1.00 . A A . 5 GLU O 1 1 5 961 1 1 5 GLU OE1 O 2.956 2.902 -3.144 1.00 . A A . 5 GLU OE1 1 1 5 962 1 1 5 GLU OE2 O 4.992 2.252 -2.634 1.00 . A A . 5 GLU OE2 1 1 5 963 1 1 6 ASN C C 5.212 -5.557 -4.460 1.00 . A A . 6 ASN C 1 1 5 964 1 1 6 ASN CA C 5.876 -4.308 -5.030 1.00 . A A . 6 ASN CA 1 1 5 965 1 1 6 ASN CB C 7.141 -3.985 -4.233 1.00 . A A . 6 ASN CB 1 1 5 966 1 1 6 ASN CG C 8.385 -4.592 -4.854 1.00 . A A . 6 ASN CG 1 1 5 967 1 1 6 ASN H H 4.947 -2.579 -5.823 1.00 . A A . 6 ASN H 1 1 5 968 1 1 6 ASN HA H 6.155 -4.505 -6.054 1.00 . A A . 6 ASN HA 1 1 5 969 1 1 6 ASN HB2 H 7.270 -2.912 -4.192 1.00 . A A . 6 ASN HB2 1 1 5 970 1 1 6 ASN HB3 H 7.035 -4.373 -3.229 1.00 . A A . 6 ASN HB3 1 1 5 971 1 1 6 ASN HD21 H 7.960 -3.740 -6.599 1.00 . A A . 6 ASN HD21 1 1 5 972 1 1 6 ASN HD22 H 9.400 -4.693 -6.560 1.00 . A A . 6 ASN HD22 1 1 5 973 1 1 6 ASN N N 4.976 -3.156 -5.032 1.00 . A A . 6 ASN N 1 1 5 974 1 1 6 ASN ND2 N 8.604 -4.314 -6.134 1.00 . A A . 6 ASN ND2 1 1 5 975 1 1 6 ASN O O 5.861 -6.361 -3.789 1.00 . A A . 6 ASN O 1 1 5 976 1 1 6 ASN OD1 O 9.140 -5.303 -4.190 1.00 . A A . 6 ASN OD1 1 1 5 977 1 1 7 GLY C C 2.823 -6.792 -2.785 1.00 . A A . 7 GLY C 1 1 5 978 1 1 7 GLY CA C 3.220 -6.894 -4.248 1.00 . A A . 7 GLY CA 1 1 5 979 1 1 7 GLY H H 3.458 -5.062 -5.284 1.00 . A A . 7 GLY H 1 1 5 980 1 1 7 GLY HA2 H 2.334 -7.032 -4.841 1.00 . A A . 7 GLY HA2 1 1 5 981 1 1 7 GLY HA3 H 3.856 -7.758 -4.374 1.00 . A A . 7 GLY HA3 1 1 5 982 1 1 7 GLY N N 3.927 -5.727 -4.737 1.00 . A A . 7 GLY N 1 1 5 983 1 1 7 GLY O O 2.573 -7.810 -2.138 1.00 . A A . 7 GLY O 1 1 5 984 1 1 8 LYS C C 1.576 -4.109 -0.649 1.00 . A A . 8 LYS C 1 1 5 985 1 1 8 LYS CA C 2.405 -5.379 -0.849 1.00 . A A . 8 LYS CA 1 1 5 986 1 1 8 LYS CB C 3.664 -5.322 0.019 1.00 . A A . 8 LYS CB 1 1 5 987 1 1 8 LYS CD C 2.783 -5.981 2.280 1.00 . A A . 8 LYS CD 1 1 5 988 1 1 8 LYS CE C 1.982 -7.171 2.783 1.00 . A A . 8 LYS CE 1 1 5 989 1 1 8 LYS CG C 3.690 -6.368 1.122 1.00 . A A . 8 LYS CG 1 1 5 990 1 1 8 LYS H H 2.983 -4.794 -2.807 1.00 . A A . 8 LYS H 1 1 5 991 1 1 8 LYS HA H 1.812 -6.228 -0.545 1.00 . A A . 8 LYS HA 1 1 5 992 1 1 8 LYS HB2 H 4.528 -5.474 -0.611 1.00 . A A . 8 LYS HB2 1 1 5 993 1 1 8 LYS HB3 H 3.731 -4.346 0.477 1.00 . A A . 8 LYS HB3 1 1 5 994 1 1 8 LYS HD2 H 3.390 -5.601 3.088 1.00 . A A . 8 LYS HD2 1 1 5 995 1 1 8 LYS HD3 H 2.100 -5.212 1.948 1.00 . A A . 8 LYS HD3 1 1 5 996 1 1 8 LYS HE2 H 1.636 -7.740 1.933 1.00 . A A . 8 LYS HE2 1 1 5 997 1 1 8 LYS HE3 H 2.625 -7.789 3.392 1.00 . A A . 8 LYS HE3 1 1 5 998 1 1 8 LYS HG2 H 3.356 -7.312 0.717 1.00 . A A . 8 LYS HG2 1 1 5 999 1 1 8 LYS HG3 H 4.702 -6.468 1.486 1.00 . A A . 8 LYS HG3 1 1 5 1000 1 1 8 LYS HZ1 H 0.000 -7.377 3.408 1.00 . A A . 8 LYS HZ1 1 1 5 1001 1 1 8 LYS HZ2 H 0.535 -5.774 3.347 1.00 . A A . 8 LYS HZ2 1 1 5 1002 1 1 8 LYS HZ3 H 1.038 -6.786 4.606 1.00 . A A . 8 LYS HZ3 1 1 5 1003 1 1 8 LYS N N 2.769 -5.573 -2.252 1.00 . A A . 8 LYS N 1 1 5 1004 1 1 8 LYS NZ N 0.807 -6.747 3.592 1.00 . A A . 8 LYS NZ 1 1 5 1005 1 1 8 LYS O O 1.800 -3.097 -1.311 1.00 . A A . 8 LYS O 1 1 5 1006 1 1 9 TRP C C 0.440 -2.101 1.581 1.00 . A A . 9 TRP C 1 1 5 1007 1 1 9 TRP CA C -0.241 -3.039 0.586 1.00 . A A . 9 TRP CA 1 1 5 1008 1 1 9 TRP CB C -1.569 -3.536 1.167 1.00 . A A . 9 TRP CB 1 1 5 1009 1 1 9 TRP CD1 C -2.978 -5.152 -0.168 1.00 . A A . 9 TRP CD1 1 1 5 1010 1 1 9 TRP CD2 C -3.333 -3.017 -0.711 1.00 . A A . 9 TRP CD2 1 1 5 1011 1 1 9 TRP CE2 C -4.157 -3.826 -1.517 1.00 . A A . 9 TRP CE2 1 1 5 1012 1 1 9 TRP CE3 C -3.388 -1.628 -0.872 1.00 . A A . 9 TRP CE3 1 1 5 1013 1 1 9 TRP CG C -2.581 -3.899 0.135 1.00 . A A . 9 TRP CG 1 1 5 1014 1 1 9 TRP CH2 C -5.058 -1.933 -2.603 1.00 . A A . 9 TRP CH2 1 1 5 1015 1 1 9 TRP CZ2 C -5.024 -3.294 -2.467 1.00 . A A . 9 TRP CZ2 1 1 5 1016 1 1 9 TRP CZ3 C -4.251 -1.102 -1.816 1.00 . A A . 9 TRP CZ3 1 1 5 1017 1 1 9 TRP H H 0.501 -5.013 0.774 1.00 . A A . 9 TRP H 1 1 5 1018 1 1 9 TRP HA H -0.432 -2.503 -0.331 1.00 . A A . 9 TRP HA 1 1 5 1019 1 1 9 TRP HB2 H -1.381 -4.416 1.762 1.00 . A A . 9 TRP HB2 1 1 5 1020 1 1 9 TRP HB3 H -1.995 -2.782 1.791 1.00 . A A . 9 TRP HB3 1 1 5 1021 1 1 9 TRP HD1 H -2.589 -6.026 0.317 1.00 . A A . 9 TRP HD1 1 1 5 1022 1 1 9 TRP HE1 H -4.353 -5.915 -1.561 1.00 . A A . 9 TRP HE1 1 1 5 1023 1 1 9 TRP HE3 H -2.779 -0.969 -0.272 1.00 . A A . 9 TRP HE3 1 1 5 1024 1 1 9 TRP HH2 H -5.716 -1.478 -3.328 1.00 . A A . 9 TRP HH2 1 1 5 1025 1 1 9 TRP HZ2 H -5.653 -3.921 -3.082 1.00 . A A . 9 TRP HZ2 1 1 5 1026 1 1 9 TRP HZ3 H -4.307 -0.033 -1.955 1.00 . A A . 9 TRP HZ3 1 1 5 1027 1 1 9 TRP N N 0.623 -4.176 0.279 1.00 . A A . 9 TRP N 1 1 5 1028 1 1 9 TRP NE1 N -3.920 -5.129 -1.166 1.00 . A A . 9 TRP NE1 1 1 5 1029 1 1 9 TRP O O 0.884 -2.529 2.646 1.00 . A A . 9 TRP O 1 1 5 1030 1 1 10 THR C C 0.238 1.373 2.311 1.00 . A A . 10 THR C 1 1 5 1031 1 1 10 THR CA C 1.154 0.172 2.093 1.00 . A A . 10 THR CA 1 1 5 1032 1 1 10 THR CB C 2.482 0.633 1.490 1.00 . A A . 10 THR CB 1 1 5 1033 1 1 10 THR CG2 C 3.664 -0.201 1.937 1.00 . A A . 10 THR CG2 1 1 5 1034 1 1 10 THR H H 0.153 -0.538 0.367 1.00 . A A . 10 THR H 1 1 5 1035 1 1 10 THR HA H 1.346 -0.296 3.047 1.00 . A A . 10 THR HA 1 1 5 1036 1 1 10 THR HB H 2.666 1.655 1.789 1.00 . A A . 10 THR HB 1 1 5 1037 1 1 10 THR HG1 H 3.038 1.236 -0.288 1.00 . A A . 10 THR HG1 1 1 5 1038 1 1 10 THR HG21 H 4.201 -0.558 1.071 1.00 . A A . 10 THR HG21 1 1 5 1039 1 1 10 THR HG22 H 3.312 -1.043 2.516 1.00 . A A . 10 THR HG22 1 1 5 1040 1 1 10 THR HG23 H 4.321 0.404 2.545 1.00 . A A . 10 THR HG23 1 1 5 1041 1 1 10 THR N N 0.523 -0.821 1.228 1.00 . A A . 10 THR N 1 1 5 1042 1 1 10 THR O O -0.492 1.780 1.408 1.00 . A A . 10 THR O 1 1 5 1043 1 1 10 THR OG1 O 2.433 0.585 0.076 1.00 . A A . 10 THR OG1 1 1 5 1044 1 1 11 TRP C C 0.181 4.393 3.499 1.00 . A A . 11 TRP C 1 1 5 1045 1 1 11 TRP CA C -0.542 3.095 3.846 1.00 . A A . 11 TRP CA 1 1 5 1046 1 1 11 TRP CB C -0.905 3.083 5.334 1.00 . A A . 11 TRP CB 1 1 5 1047 1 1 11 TRP CD1 C -1.378 5.409 6.298 1.00 . A A . 11 TRP CD1 1 1 5 1048 1 1 11 TRP CD2 C -3.207 4.303 5.631 1.00 . A A . 11 TRP CD2 1 1 5 1049 1 1 11 TRP CE2 C -3.600 5.556 6.138 1.00 . A A . 11 TRP CE2 1 1 5 1050 1 1 11 TRP CE3 C -4.192 3.432 5.151 1.00 . A A . 11 TRP CE3 1 1 5 1051 1 1 11 TRP CG C -1.780 4.229 5.743 1.00 . A A . 11 TRP CG 1 1 5 1052 1 1 11 TRP CH2 C -5.873 5.088 5.703 1.00 . A A . 11 TRP CH2 1 1 5 1053 1 1 11 TRP CZ2 C -4.932 5.959 6.179 1.00 . A A . 11 TRP CZ2 1 1 5 1054 1 1 11 TRP CZ3 C -5.514 3.834 5.192 1.00 . A A . 11 TRP CZ3 1 1 5 1055 1 1 11 TRP H H 0.887 1.571 4.193 1.00 . A A . 11 TRP H 1 1 5 1056 1 1 11 TRP HA H -1.448 3.035 3.263 1.00 . A A . 11 TRP HA 1 1 5 1057 1 1 11 TRP HB2 H -1.430 2.167 5.563 1.00 . A A . 11 TRP HB2 1 1 5 1058 1 1 11 TRP HB3 H 0.004 3.131 5.919 1.00 . A A . 11 TRP HB3 1 1 5 1059 1 1 11 TRP HD1 H -0.350 5.661 6.513 1.00 . A A . 11 TRP HD1 1 1 5 1060 1 1 11 TRP HE1 H -2.435 7.109 6.933 1.00 . A A . 11 TRP HE1 1 1 5 1061 1 1 11 TRP HE3 H -3.934 2.461 4.753 1.00 . A A . 11 TRP HE3 1 1 5 1062 1 1 11 TRP HH2 H -6.919 5.359 5.716 1.00 . A A . 11 TRP HH2 1 1 5 1063 1 1 11 TRP HZ2 H -5.227 6.922 6.569 1.00 . A A . 11 TRP HZ2 1 1 5 1064 1 1 11 TRP HZ3 H -6.287 3.175 4.826 1.00 . A A . 11 TRP HZ3 1 1 5 1065 1 1 11 TRP N N 0.283 1.938 3.514 1.00 . A A . 11 TRP N 1 1 5 1066 1 1 11 TRP NE1 N -2.466 6.212 6.539 1.00 . A A . 11 TRP NE1 1 1 5 1067 1 1 11 TRP O O 1.053 4.847 4.240 1.00 . A A . 11 TRP O 1 1 5 1068 1 1 12 LYS C C -0.213 6.722 0.629 1.00 . A A . 12 LYS C 1 1 5 1069 1 1 12 LYS CA C 0.428 6.231 1.923 1.00 . A A . 12 LYS CA 1 1 5 1070 1 1 12 LYS CB C 1.933 6.038 1.719 1.00 . A A . 12 LYS CB 1 1 5 1071 1 1 12 LYS CD C 4.252 6.930 2.094 1.00 . A A . 12 LYS CD 1 1 5 1072 1 1 12 LYS CE C 5.083 8.202 2.064 1.00 . A A . 12 LYS CE 1 1 5 1073 1 1 12 LYS CG C 2.764 7.238 2.142 1.00 . A A . 12 LYS CG 1 1 5 1074 1 1 12 LYS H H -0.887 4.575 1.818 1.00 . A A . 12 LYS H 1 1 5 1075 1 1 12 LYS HA H 0.271 6.971 2.692 1.00 . A A . 12 LYS HA 1 1 5 1076 1 1 12 LYS HB2 H 2.255 5.182 2.295 1.00 . A A . 12 LYS HB2 1 1 5 1077 1 1 12 LYS HB3 H 2.121 5.847 0.672 1.00 . A A . 12 LYS HB3 1 1 5 1078 1 1 12 LYS HD2 H 4.520 6.357 2.969 1.00 . A A . 12 LYS HD2 1 1 5 1079 1 1 12 LYS HD3 H 4.461 6.352 1.205 1.00 . A A . 12 LYS HD3 1 1 5 1080 1 1 12 LYS HE2 H 4.602 8.946 2.681 1.00 . A A . 12 LYS HE2 1 1 5 1081 1 1 12 LYS HE3 H 6.064 7.985 2.461 1.00 . A A . 12 LYS HE3 1 1 5 1082 1 1 12 LYS HG2 H 2.555 8.061 1.476 1.00 . A A . 12 LYS HG2 1 1 5 1083 1 1 12 LYS HG3 H 2.494 7.512 3.152 1.00 . A A . 12 LYS HG3 1 1 5 1084 1 1 12 LYS HZ1 H 6.075 8.338 0.230 1.00 . A A . 12 LYS HZ1 1 1 5 1085 1 1 12 LYS HZ2 H 5.320 9.774 0.709 1.00 . A A . 12 LYS HZ2 1 1 5 1086 1 1 12 LYS HZ3 H 4.393 8.491 0.113 1.00 . A A . 12 LYS HZ3 1 1 5 1087 1 1 12 LYS N N -0.186 4.985 2.367 1.00 . A A . 12 LYS N 1 1 5 1088 1 1 12 LYS NZ N 5.228 8.739 0.682 1.00 . A A . 12 LYS NZ 1 1 5 1089 1 1 12 LYS O O 0.112 6.245 -0.458 1.00 . A A . 12 LYS O 1 1 5 1090 1 1 13 NH2 N N -1.043 7.755 0.724 1.00 . A A . 13 NH2 N 1 1 6 1091 1 1 1 SER C C -4.543 4.045 1.736 1.00 . A A . 1 SER C 1 1 6 1092 1 1 1 SER CA C -5.594 5.147 1.802 1.00 . A A . 1 SER CA 1 1 6 1093 1 1 1 SER CB C -5.700 5.857 0.451 1.00 . A A . 1 SER CB 1 1 6 1094 1 1 1 SER H1 H -4.536 6.791 2.446 1.00 . A A . 1 SER H1 1 1 6 1095 1 1 1 SER H2 H -4.887 5.640 3.670 1.00 . A A . 1 SER H2 1 1 6 1096 1 1 1 SER H3 H -6.125 6.671 3.078 1.00 . A A . 1 SER H3 1 1 6 1097 1 1 1 SER HA H -6.549 4.704 2.048 1.00 . A A . 1 SER HA 1 1 6 1098 1 1 1 SER HB2 H -4.722 5.913 -0.002 1.00 . A A . 1 SER HB2 1 1 6 1099 1 1 1 SER HB3 H -6.365 5.302 -0.194 1.00 . A A . 1 SER HB3 1 1 6 1100 1 1 1 SER HG H -5.522 7.738 0.971 1.00 . A A . 1 SER HG 1 1 6 1101 1 1 1 SER N N -5.255 6.153 2.843 1.00 . A A . 1 SER N 1 1 6 1102 1 1 1 SER O O -3.520 4.106 2.419 1.00 . A A . 1 SER O 1 1 6 1103 1 1 1 SER OG O -6.206 7.172 0.605 1.00 . A A . 1 SER OG 1 1 6 1104 1 1 2 TRP C C -3.206 1.945 -0.602 1.00 . A A . 2 TRP C 1 1 6 1105 1 1 2 TRP CA C -3.892 1.914 0.759 1.00 . A A . 2 TRP CA 1 1 6 1106 1 1 2 TRP CB C -4.651 0.600 0.926 1.00 . A A . 2 TRP CB 1 1 6 1107 1 1 2 TRP CD1 C -6.219 0.212 2.919 1.00 . A A . 2 TRP CD1 1 1 6 1108 1 1 2 TRP CD2 C -4.041 0.101 3.400 1.00 . A A . 2 TRP CD2 1 1 6 1109 1 1 2 TRP CE2 C -4.766 -0.132 4.580 1.00 . A A . 2 TRP CE2 1 1 6 1110 1 1 2 TRP CE3 C -2.650 0.084 3.445 1.00 . A A . 2 TRP CE3 1 1 6 1111 1 1 2 TRP CG C -4.981 0.310 2.353 1.00 . A A . 2 TRP CG 1 1 6 1112 1 1 2 TRP CH2 C -2.769 -0.387 5.814 1.00 . A A . 2 TRP CH2 1 1 6 1113 1 1 2 TRP CZ2 C -4.139 -0.378 5.799 1.00 . A A . 2 TRP CZ2 1 1 6 1114 1 1 2 TRP CZ3 C -2.028 -0.157 4.647 1.00 . A A . 2 TRP CZ3 1 1 6 1115 1 1 2 TRP H H -5.642 3.046 0.401 1.00 . A A . 2 TRP H 1 1 6 1116 1 1 2 TRP HA H -3.137 1.981 1.537 1.00 . A A . 2 TRP HA 1 1 6 1117 1 1 2 TRP HB2 H -5.569 0.642 0.365 1.00 . A A . 2 TRP HB2 1 1 6 1118 1 1 2 TRP HB3 H -4.042 -0.210 0.553 1.00 . A A . 2 TRP HB3 1 1 6 1119 1 1 2 TRP HD1 H -7.146 0.331 2.379 1.00 . A A . 2 TRP HD1 1 1 6 1120 1 1 2 TRP HE1 H -6.843 -0.182 4.888 1.00 . A A . 2 TRP HE1 1 1 6 1121 1 1 2 TRP HE3 H -2.062 0.258 2.557 1.00 . A A . 2 TRP HE3 1 1 6 1122 1 1 2 TRP HH2 H -2.238 -0.571 6.736 1.00 . A A . 2 TRP HH2 1 1 6 1123 1 1 2 TRP HZ2 H -4.698 -0.557 6.706 1.00 . A A . 2 TRP HZ2 1 1 6 1124 1 1 2 TRP HZ3 H -0.953 -0.166 4.694 1.00 . A A . 2 TRP HZ3 1 1 6 1125 1 1 2 TRP N N -4.807 3.037 0.914 1.00 . A A . 2 TRP N 1 1 6 1126 1 1 2 TRP NE1 N -6.099 -0.060 4.262 1.00 . A A . 2 TRP NE1 1 1 6 1127 1 1 2 TRP O O -3.859 2.076 -1.637 1.00 . A A . 2 TRP O 1 1 6 1128 1 1 3 THR C C -0.457 0.437 -2.008 1.00 . A A . 3 THR C 1 1 6 1129 1 1 3 THR CA C -1.104 1.801 -1.816 1.00 . A A . 3 THR CA 1 1 6 1130 1 1 3 THR CB C -0.032 2.891 -1.774 1.00 . A A . 3 THR CB 1 1 6 1131 1 1 3 THR CG2 C 0.854 2.811 -0.550 1.00 . A A . 3 THR CG2 1 1 6 1132 1 1 3 THR H H -1.428 1.696 0.268 1.00 . A A . 3 THR H 1 1 6 1133 1 1 3 THR HA H -1.774 1.992 -2.642 1.00 . A A . 3 THR HA 1 1 6 1134 1 1 3 THR HB H -0.515 3.858 -1.770 1.00 . A A . 3 THR HB 1 1 6 1135 1 1 3 THR HG1 H 0.583 3.527 -3.522 1.00 . A A . 3 THR HG1 1 1 6 1136 1 1 3 THR HG21 H 0.747 1.840 -0.090 1.00 . A A . 3 THR HG21 1 1 6 1137 1 1 3 THR HG22 H 0.565 3.578 0.154 1.00 . A A . 3 THR HG22 1 1 6 1138 1 1 3 THR HG23 H 1.884 2.960 -0.840 1.00 . A A . 3 THR HG23 1 1 6 1139 1 1 3 THR N N -1.887 1.808 -0.589 1.00 . A A . 3 THR N 1 1 6 1140 1 1 3 THR O O 0.181 -0.089 -1.097 1.00 . A A . 3 THR O 1 1 6 1141 1 1 3 THR OG1 O 0.805 2.816 -2.915 1.00 . A A . 3 THR OG1 1 1 6 1142 1 1 4 TRP C C 1.195 -1.301 -4.313 1.00 . A A . 4 TRP C 1 1 6 1143 1 1 4 TRP CA C -0.075 -1.447 -3.478 1.00 . A A . 4 TRP CA 1 1 6 1144 1 1 4 TRP CB C -1.145 -2.262 -4.206 1.00 . A A . 4 TRP CB 1 1 6 1145 1 1 4 TRP CD1 C -0.192 -3.583 -6.165 1.00 . A A . 4 TRP CD1 1 1 6 1146 1 1 4 TRP CD2 C -0.598 -4.809 -4.341 1.00 . A A . 4 TRP CD2 1 1 6 1147 1 1 4 TRP CE2 C -0.095 -5.657 -5.344 1.00 . A A . 4 TRP CE2 1 1 6 1148 1 1 4 TRP CE3 C -0.925 -5.352 -3.097 1.00 . A A . 4 TRP CE3 1 1 6 1149 1 1 4 TRP CG C -0.652 -3.492 -4.889 1.00 . A A . 4 TRP CG 1 1 6 1150 1 1 4 TRP CH2 C -0.244 -7.529 -3.909 1.00 . A A . 4 TRP CH2 1 1 6 1151 1 1 4 TRP CZ2 C 0.084 -7.022 -5.140 1.00 . A A . 4 TRP CZ2 1 1 6 1152 1 1 4 TRP CZ3 C -0.744 -6.705 -2.892 1.00 . A A . 4 TRP CZ3 1 1 6 1153 1 1 4 TRP H H -1.157 0.316 -3.879 1.00 . A A . 4 TRP H 1 1 6 1154 1 1 4 TRP HA H 0.167 -1.929 -2.543 1.00 . A A . 4 TRP HA 1 1 6 1155 1 1 4 TRP HB2 H -1.895 -2.566 -3.492 1.00 . A A . 4 TRP HB2 1 1 6 1156 1 1 4 TRP HB3 H -1.610 -1.634 -4.953 1.00 . A A . 4 TRP HB3 1 1 6 1157 1 1 4 TRP HD1 H -0.114 -2.742 -6.839 1.00 . A A . 4 TRP HD1 1 1 6 1158 1 1 4 TRP HE1 H 0.498 -5.207 -7.308 1.00 . A A . 4 TRP HE1 1 1 6 1159 1 1 4 TRP HE3 H -1.311 -4.732 -2.302 1.00 . A A . 4 TRP HE3 1 1 6 1160 1 1 4 TRP HH2 H -0.119 -8.582 -3.707 1.00 . A A . 4 TRP HH2 1 1 6 1161 1 1 4 TRP HZ2 H 0.469 -7.670 -5.913 1.00 . A A . 4 TRP HZ2 1 1 6 1162 1 1 4 TRP HZ3 H -0.988 -7.140 -1.933 1.00 . A A . 4 TRP HZ3 1 1 6 1163 1 1 4 TRP N N -0.633 -0.141 -3.188 1.00 . A A . 4 TRP N 1 1 6 1164 1 1 4 TRP NE1 N 0.144 -4.885 -6.452 1.00 . A A . 4 TRP NE1 1 1 6 1165 1 1 4 TRP O O 1.199 -0.614 -5.334 1.00 . A A . 4 TRP O 1 1 6 1166 1 1 5 GLU C C 4.318 -3.161 -4.564 1.00 . A A . 5 GLU C 1 1 6 1167 1 1 5 GLU CA C 3.553 -1.840 -4.566 1.00 . A A . 5 GLU CA 1 1 6 1168 1 1 5 GLU CB C 4.418 -0.744 -3.943 1.00 . A A . 5 GLU CB 1 1 6 1169 1 1 5 GLU CD C 3.888 0.458 -1.783 1.00 . A A . 5 GLU CD 1 1 6 1170 1 1 5 GLU CG C 4.459 -0.792 -2.424 1.00 . A A . 5 GLU CG 1 1 6 1171 1 1 5 GLU H H 2.223 -2.451 -3.033 1.00 . A A . 5 GLU H 1 1 6 1172 1 1 5 GLU HA H 3.340 -1.569 -5.589 1.00 . A A . 5 GLU HA 1 1 6 1173 1 1 5 GLU HB2 H 5.430 -0.847 -4.312 1.00 . A A . 5 GLU HB2 1 1 6 1174 1 1 5 GLU HB3 H 4.029 0.221 -4.242 1.00 . A A . 5 GLU HB3 1 1 6 1175 1 1 5 GLU HG2 H 3.886 -1.643 -2.088 1.00 . A A . 5 GLU HG2 1 1 6 1176 1 1 5 GLU HG3 H 5.486 -0.904 -2.108 1.00 . A A . 5 GLU HG3 1 1 6 1177 1 1 5 GLU N N 2.279 -1.931 -3.861 1.00 . A A . 5 GLU N 1 1 6 1178 1 1 5 GLU O O 4.690 -3.676 -3.509 1.00 . A A . 5 GLU O 1 1 6 1179 1 1 5 GLU OE1 O 2.666 0.489 -1.527 1.00 . A A . 5 GLU OE1 1 1 6 1180 1 1 5 GLU OE2 O 4.662 1.407 -1.538 1.00 . A A . 5 GLU OE2 1 1 6 1181 1 1 6 ASN C C 4.887 -6.026 -4.969 1.00 . A A . 6 ASN C 1 1 6 1182 1 1 6 ASN CA C 5.335 -4.920 -5.925 1.00 . A A . 6 ASN CA 1 1 6 1183 1 1 6 ASN CB C 6.828 -4.648 -5.730 1.00 . A A . 6 ASN CB 1 1 6 1184 1 1 6 ASN CG C 7.380 -3.688 -6.765 1.00 . A A . 6 ASN CG 1 1 6 1185 1 1 6 ASN H H 4.274 -3.202 -6.557 1.00 . A A . 6 ASN H 1 1 6 1186 1 1 6 ASN HA H 5.180 -5.260 -6.937 1.00 . A A . 6 ASN HA 1 1 6 1187 1 1 6 ASN HB2 H 6.985 -4.220 -4.749 1.00 . A A . 6 ASN HB2 1 1 6 1188 1 1 6 ASN HB3 H 7.370 -5.582 -5.806 1.00 . A A . 6 ASN HB3 1 1 6 1189 1 1 6 ASN HD21 H 6.748 -4.868 -8.235 1.00 . A A . 6 ASN HD21 1 1 6 1190 1 1 6 ASN HD22 H 7.560 -3.425 -8.728 1.00 . A A . 6 ASN HD22 1 1 6 1191 1 1 6 ASN N N 4.578 -3.681 -5.757 1.00 . A A . 6 ASN N 1 1 6 1192 1 1 6 ASN ND2 N 7.213 -4.028 -8.038 1.00 . A A . 6 ASN ND2 1 1 6 1193 1 1 6 ASN O O 5.709 -6.815 -4.503 1.00 . A A . 6 ASN O 1 1 6 1194 1 1 6 ASN OD1 O 7.951 -2.652 -6.425 1.00 . A A . 6 ASN OD1 1 1 6 1195 1 1 7 GLY C C 2.953 -6.737 -2.368 1.00 . A A . 7 GLY C 1 1 6 1196 1 1 7 GLY CA C 3.095 -7.154 -3.821 1.00 . A A . 7 GLY CA 1 1 6 1197 1 1 7 GLY H H 2.966 -5.470 -5.107 1.00 . A A . 7 GLY H 1 1 6 1198 1 1 7 GLY HA2 H 2.137 -7.480 -4.180 1.00 . A A . 7 GLY HA2 1 1 6 1199 1 1 7 GLY HA3 H 3.779 -7.989 -3.872 1.00 . A A . 7 GLY HA3 1 1 6 1200 1 1 7 GLY N N 3.589 -6.106 -4.698 1.00 . A A . 7 GLY N 1 1 6 1201 1 1 7 GLY O O 2.927 -7.593 -1.483 1.00 . A A . 7 GLY O 1 1 6 1202 1 1 8 LYS C C 1.794 -3.775 -0.603 1.00 . A A . 8 LYS C 1 1 6 1203 1 1 8 LYS CA C 2.742 -4.968 -0.726 1.00 . A A . 8 LYS CA 1 1 6 1204 1 1 8 LYS CB C 4.123 -4.602 -0.174 1.00 . A A . 8 LYS CB 1 1 6 1205 1 1 8 LYS CD C 5.305 -4.160 2.000 1.00 . A A . 8 LYS CD 1 1 6 1206 1 1 8 LYS CE C 5.157 -5.473 2.752 1.00 . A A . 8 LYS CE 1 1 6 1207 1 1 8 LYS CG C 4.078 -3.863 1.154 1.00 . A A . 8 LYS CG 1 1 6 1208 1 1 8 LYS H H 2.902 -4.786 -2.834 1.00 . A A . 8 LYS H 1 1 6 1209 1 1 8 LYS HA H 2.342 -5.784 -0.142 1.00 . A A . 8 LYS HA 1 1 6 1210 1 1 8 LYS HB2 H 4.693 -5.508 -0.035 1.00 . A A . 8 LYS HB2 1 1 6 1211 1 1 8 LYS HB3 H 4.630 -3.975 -0.892 1.00 . A A . 8 LYS HB3 1 1 6 1212 1 1 8 LYS HD2 H 6.169 -4.222 1.356 1.00 . A A . 8 LYS HD2 1 1 6 1213 1 1 8 LYS HD3 H 5.441 -3.360 2.713 1.00 . A A . 8 LYS HD3 1 1 6 1214 1 1 8 LYS HE2 H 5.536 -5.344 3.755 1.00 . A A . 8 LYS HE2 1 1 6 1215 1 1 8 LYS HE3 H 4.109 -5.733 2.795 1.00 . A A . 8 LYS HE3 1 1 6 1216 1 1 8 LYS HG2 H 4.034 -2.802 0.959 1.00 . A A . 8 LYS HG2 1 1 6 1217 1 1 8 LYS HG3 H 3.194 -4.168 1.695 1.00 . A A . 8 LYS HG3 1 1 6 1218 1 1 8 LYS HZ1 H 6.701 -6.195 1.545 1.00 . A A . 8 LYS HZ1 1 1 6 1219 1 1 8 LYS HZ2 H 5.276 -7.101 1.448 1.00 . A A . 8 LYS HZ2 1 1 6 1220 1 1 8 LYS HZ3 H 6.274 -7.238 2.807 1.00 . A A . 8 LYS HZ3 1 1 6 1221 1 1 8 LYS N N 2.869 -5.436 -2.103 1.00 . A A . 8 LYS N 1 1 6 1222 1 1 8 LYS NZ N 5.904 -6.579 2.092 1.00 . A A . 8 LYS NZ 1 1 6 1223 1 1 8 LYS O O 1.892 -2.803 -1.353 1.00 . A A . 8 LYS O 1 1 6 1224 1 1 9 TRP C C 0.469 -1.853 1.715 1.00 . A A . 9 TRP C 1 1 6 1225 1 1 9 TRP CA C -0.074 -2.790 0.637 1.00 . A A . 9 TRP CA 1 1 6 1226 1 1 9 TRP CB C -1.407 -3.389 1.098 1.00 . A A . 9 TRP CB 1 1 6 1227 1 1 9 TRP CD1 C -2.715 -5.045 -0.302 1.00 . A A . 9 TRP CD1 1 1 6 1228 1 1 9 TRP CD2 C -2.949 -2.929 -0.978 1.00 . A A . 9 TRP CD2 1 1 6 1229 1 1 9 TRP CE2 C -3.707 -3.757 -1.829 1.00 . A A . 9 TRP CE2 1 1 6 1230 1 1 9 TRP CE3 C -2.948 -1.549 -1.209 1.00 . A A . 9 TRP CE3 1 1 6 1231 1 1 9 TRP CG C -2.316 -3.784 -0.017 1.00 . A A . 9 TRP CG 1 1 6 1232 1 1 9 TRP CH2 C -4.434 -1.899 -3.092 1.00 . A A . 9 TRP CH2 1 1 6 1233 1 1 9 TRP CZ2 C -4.454 -3.252 -2.890 1.00 . A A . 9 TRP CZ2 1 1 6 1234 1 1 9 TRP CZ3 C -3.691 -1.050 -2.263 1.00 . A A . 9 TRP CZ3 1 1 6 1235 1 1 9 TRP H H 0.877 -4.657 0.939 1.00 . A A . 9 TRP H 1 1 6 1236 1 1 9 TRP HA H -0.227 -2.235 -0.276 1.00 . A A . 9 TRP HA 1 1 6 1237 1 1 9 TRP HB2 H -1.208 -4.273 1.684 1.00 . A A . 9 TRP HB2 1 1 6 1238 1 1 9 TRP HB3 H -1.928 -2.680 1.710 1.00 . A A . 9 TRP HB3 1 1 6 1239 1 1 9 TRP HD1 H -2.406 -5.906 0.260 1.00 . A A . 9 TRP HD1 1 1 6 1240 1 1 9 TRP HE1 H -3.958 -5.840 -1.797 1.00 . A A . 9 TRP HE1 1 1 6 1241 1 1 9 TRP HE3 H -2.387 -0.876 -0.578 1.00 . A A . 9 TRP HE3 1 1 6 1242 1 1 9 TRP HH2 H -4.999 -1.465 -3.903 1.00 . A A . 9 TRP HH2 1 1 6 1243 1 1 9 TRP HZ2 H -5.032 -3.893 -3.539 1.00 . A A . 9 TRP HZ2 1 1 6 1244 1 1 9 TRP HZ3 H -3.702 0.012 -2.457 1.00 . A A . 9 TRP HZ3 1 1 6 1245 1 1 9 TRP N N 0.889 -3.858 0.372 1.00 . A A . 9 TRP N 1 1 6 1246 1 1 9 TRP NE1 N -3.546 -5.047 -1.395 1.00 . A A . 9 TRP NE1 1 1 6 1247 1 1 9 TRP O O 0.856 -2.300 2.795 1.00 . A A . 9 TRP O 1 1 6 1248 1 1 10 THR C C 0.017 1.568 2.578 1.00 . A A . 10 THR C 1 1 6 1249 1 1 10 THR CA C 1.010 0.427 2.376 1.00 . A A . 10 THR CA 1 1 6 1250 1 1 10 THR CB C 2.352 0.985 1.900 1.00 . A A . 10 THR CB 1 1 6 1251 1 1 10 THR CG2 C 3.314 1.278 3.031 1.00 . A A . 10 THR CG2 1 1 6 1252 1 1 10 THR H H 0.187 -0.254 0.545 1.00 . A A . 10 THR H 1 1 6 1253 1 1 10 THR HA H 1.157 -0.075 3.321 1.00 . A A . 10 THR HA 1 1 6 1254 1 1 10 THR HB H 2.177 1.909 1.367 1.00 . A A . 10 THR HB 1 1 6 1255 1 1 10 THR HG1 H 2.458 -0.024 0.225 1.00 . A A . 10 THR HG1 1 1 6 1256 1 1 10 THR HG21 H 2.924 0.867 3.950 1.00 . A A . 10 THR HG21 1 1 6 1257 1 1 10 THR HG22 H 3.431 2.347 3.136 1.00 . A A . 10 THR HG22 1 1 6 1258 1 1 10 THR HG23 H 4.272 0.831 2.814 1.00 . A A . 10 THR HG23 1 1 6 1259 1 1 10 THR N N 0.504 -0.556 1.421 1.00 . A A . 10 THR N 1 1 6 1260 1 1 10 THR O O -0.673 1.973 1.645 1.00 . A A . 10 THR O 1 1 6 1261 1 1 10 THR OG1 O 2.989 0.077 1.019 1.00 . A A . 10 THR OG1 1 1 6 1262 1 1 11 TRP C C -0.259 4.527 3.955 1.00 . A A . 11 TRP C 1 1 6 1263 1 1 11 TRP CA C -0.956 3.181 4.119 1.00 . A A . 11 TRP CA 1 1 6 1264 1 1 11 TRP CB C -1.485 3.040 5.548 1.00 . A A . 11 TRP CB 1 1 6 1265 1 1 11 TRP CD1 C -2.244 5.228 6.642 1.00 . A A . 11 TRP CD1 1 1 6 1266 1 1 11 TRP CD2 C -3.876 4.115 5.588 1.00 . A A . 11 TRP CD2 1 1 6 1267 1 1 11 TRP CE2 C -4.419 5.290 6.143 1.00 . A A . 11 TRP CE2 1 1 6 1268 1 1 11 TRP CE3 C -4.720 3.255 4.876 1.00 . A A . 11 TRP CE3 1 1 6 1269 1 1 11 TRP CG C -2.482 4.095 5.919 1.00 . A A . 11 TRP CG 1 1 6 1270 1 1 11 TRP CH2 C -6.564 4.767 5.306 1.00 . A A . 11 TRP CH2 1 1 6 1271 1 1 11 TRP CZ2 C -5.764 5.626 6.008 1.00 . A A . 11 TRP CZ2 1 1 6 1272 1 1 11 TRP CZ3 C -6.054 3.591 4.743 1.00 . A A . 11 TRP CZ3 1 1 6 1273 1 1 11 TRP H H 0.530 1.722 4.505 1.00 . A A . 11 TRP H 1 1 6 1274 1 1 11 TRP HA H -1.786 3.133 3.431 1.00 . A A . 11 TRP HA 1 1 6 1275 1 1 11 TRP HB2 H -1.965 2.077 5.654 1.00 . A A . 11 TRP HB2 1 1 6 1276 1 1 11 TRP HB3 H -0.655 3.105 6.239 1.00 . A A . 11 TRP HB3 1 1 6 1277 1 1 11 TRP HD1 H -1.278 5.502 7.041 1.00 . A A . 11 TRP HD1 1 1 6 1278 1 1 11 TRP HE1 H -3.488 6.804 7.258 1.00 . A A . 11 TRP HE1 1 1 6 1279 1 1 11 TRP HE3 H -4.345 2.344 4.434 1.00 . A A . 11 TRP HE3 1 1 6 1280 1 1 11 TRP HH2 H -7.614 4.988 5.178 1.00 . A A . 11 TRP HH2 1 1 6 1281 1 1 11 TRP HZ2 H -6.173 6.529 6.435 1.00 . A A . 11 TRP HZ2 1 1 6 1282 1 1 11 TRP HZ3 H -6.720 2.939 4.198 1.00 . A A . 11 TRP HZ3 1 1 6 1283 1 1 11 TRP N N -0.048 2.084 3.801 1.00 . A A . 11 TRP N 1 1 6 1284 1 1 11 TRP NE1 N -3.403 5.952 6.781 1.00 . A A . 11 TRP NE1 1 1 6 1285 1 1 11 TRP O O 0.503 4.953 4.822 1.00 . A A . 11 TRP O 1 1 6 1286 1 1 12 LYS C C -0.484 7.089 1.272 1.00 . A A . 12 LYS C 1 1 6 1287 1 1 12 LYS CA C 0.078 6.492 2.558 1.00 . A A . 12 LYS CA 1 1 6 1288 1 1 12 LYS CB C 1.598 6.358 2.452 1.00 . A A . 12 LYS CB 1 1 6 1289 1 1 12 LYS CD C 2.209 7.854 4.376 1.00 . A A . 12 LYS CD 1 1 6 1290 1 1 12 LYS CE C 2.143 9.340 4.690 1.00 . A A . 12 LYS CE 1 1 6 1291 1 1 12 LYS CG C 2.350 7.606 2.883 1.00 . A A . 12 LYS CG 1 1 6 1292 1 1 12 LYS H H -1.141 4.802 2.181 1.00 . A A . 12 LYS H 1 1 6 1293 1 1 12 LYS HA H -0.160 7.150 3.381 1.00 . A A . 12 LYS HA 1 1 6 1294 1 1 12 LYS HB2 H 1.920 5.536 3.075 1.00 . A A . 12 LYS HB2 1 1 6 1295 1 1 12 LYS HB3 H 1.858 6.144 1.426 1.00 . A A . 12 LYS HB3 1 1 6 1296 1 1 12 LYS HD2 H 1.303 7.382 4.726 1.00 . A A . 12 LYS HD2 1 1 6 1297 1 1 12 LYS HD3 H 3.061 7.425 4.884 1.00 . A A . 12 LYS HD3 1 1 6 1298 1 1 12 LYS HE2 H 2.855 9.859 4.066 1.00 . A A . 12 LYS HE2 1 1 6 1299 1 1 12 LYS HE3 H 1.147 9.697 4.471 1.00 . A A . 12 LYS HE3 1 1 6 1300 1 1 12 LYS HG2 H 3.397 7.484 2.646 1.00 . A A . 12 LYS HG2 1 1 6 1301 1 1 12 LYS HG3 H 1.954 8.457 2.347 1.00 . A A . 12 LYS HG3 1 1 6 1302 1 1 12 LYS HZ1 H 3.107 8.900 6.490 1.00 . A A . 12 LYS HZ1 1 1 6 1303 1 1 12 LYS HZ2 H 1.584 9.608 6.685 1.00 . A A . 12 LYS HZ2 1 1 6 1304 1 1 12 LYS HZ3 H 2.901 10.556 6.209 1.00 . A A . 12 LYS HZ3 1 1 6 1305 1 1 12 LYS N N -0.525 5.193 2.836 1.00 . A A . 12 LYS N 1 1 6 1306 1 1 12 LYS NZ N 2.456 9.621 6.118 1.00 . A A . 12 LYS NZ 1 1 6 1307 1 1 12 LYS O O -0.174 6.627 0.174 1.00 . A A . 12 LYS O 1 1 6 1308 1 1 13 NH2 N N -1.215 8.191 1.391 1.00 . A A . 13 NH2 N 1 1 7 1309 1 1 1 SER C C -4.549 4.090 1.778 1.00 . A A . 1 SER C 1 1 7 1310 1 1 1 SER CA C -5.595 5.196 1.856 1.00 . A A . 1 SER CA 1 1 7 1311 1 1 1 SER CB C -5.719 5.903 0.505 1.00 . A A . 1 SER CB 1 1 7 1312 1 1 1 SER H1 H -4.850 5.694 3.708 1.00 . A A . 1 SER H1 1 1 7 1313 1 1 1 SER H2 H -6.104 6.719 3.142 1.00 . A A . 1 SER H2 1 1 7 1314 1 1 1 SER H3 H -4.527 6.842 2.477 1.00 . A A . 1 SER H3 1 1 7 1315 1 1 1 SER HA H -6.548 4.758 2.117 1.00 . A A . 1 SER HA 1 1 7 1316 1 1 1 SER HB2 H -4.837 6.502 0.332 1.00 . A A . 1 SER HB2 1 1 7 1317 1 1 1 SER HB3 H -5.811 5.165 -0.278 1.00 . A A . 1 SER HB3 1 1 7 1318 1 1 1 SER HG H -6.575 7.663 0.408 1.00 . A A . 1 SER HG 1 1 7 1319 1 1 1 SER N N -5.237 6.203 2.889 1.00 . A A . 1 SER N 1 1 7 1320 1 1 1 SER O O -3.525 4.139 2.458 1.00 . A A . 1 SER O 1 1 7 1321 1 1 1 SER OG O -6.857 6.748 0.473 1.00 . A A . 1 SER OG 1 1 7 1322 1 1 2 TRP C C -3.229 2.003 -0.582 1.00 . A A . 2 TRP C 1 1 7 1323 1 1 2 TRP CA C -3.912 1.964 0.779 1.00 . A A . 2 TRP CA 1 1 7 1324 1 1 2 TRP CB C -4.677 0.653 0.938 1.00 . A A . 2 TRP CB 1 1 7 1325 1 1 2 TRP CD1 C -6.240 0.255 2.932 1.00 . A A . 2 TRP CD1 1 1 7 1326 1 1 2 TRP CD2 C -4.061 0.132 3.406 1.00 . A A . 2 TRP CD2 1 1 7 1327 1 1 2 TRP CE2 C -4.784 -0.108 4.587 1.00 . A A . 2 TRP CE2 1 1 7 1328 1 1 2 TRP CE3 C -2.670 0.110 3.447 1.00 . A A . 2 TRP CE3 1 1 7 1329 1 1 2 TRP CG C -5.004 0.353 2.363 1.00 . A A . 2 TRP CG 1 1 7 1330 1 1 2 TRP CH2 C -2.785 -0.380 5.813 1.00 . A A . 2 TRP CH2 1 1 7 1331 1 1 2 TRP CZ2 C -4.154 -0.366 5.802 1.00 . A A . 2 TRP CZ2 1 1 7 1332 1 1 2 TRP CZ3 C -2.045 -0.143 4.645 1.00 . A A . 2 TRP CZ3 1 1 7 1333 1 1 2 TRP H H -5.657 3.109 0.436 1.00 . A A . 2 TRP H 1 1 7 1334 1 1 2 TRP HA H -3.155 2.021 1.555 1.00 . A A . 2 TRP HA 1 1 7 1335 1 1 2 TRP HB2 H -5.598 0.706 0.381 1.00 . A A . 2 TRP HB2 1 1 7 1336 1 1 2 TRP HB3 H -4.075 -0.157 0.555 1.00 . A A . 2 TRP HB3 1 1 7 1337 1 1 2 TRP HD1 H -7.168 0.382 2.397 1.00 . A A . 2 TRP HD1 1 1 7 1338 1 1 2 TRP HE1 H -6.860 -0.153 4.900 1.00 . A A . 2 TRP HE1 1 1 7 1339 1 1 2 TRP HE3 H -2.084 0.289 2.558 1.00 . A A . 2 TRP HE3 1 1 7 1340 1 1 2 TRP HH2 H -2.252 -0.573 6.732 1.00 . A A . 2 TRP HH2 1 1 7 1341 1 1 2 TRP HZ2 H -4.712 -0.550 6.708 1.00 . A A . 2 TRP HZ2 1 1 7 1342 1 1 2 TRP HZ3 H -0.970 -0.156 4.690 1.00 . A A . 2 TRP HZ3 1 1 7 1343 1 1 2 TRP N N -4.820 3.091 0.947 1.00 . A A . 2 TRP N 1 1 7 1344 1 1 2 TRP NE1 N -6.117 -0.029 4.273 1.00 . A A . 2 TRP NE1 1 1 7 1345 1 1 2 TRP O O -3.884 2.149 -1.614 1.00 . A A . 2 TRP O 1 1 7 1346 1 1 3 THR C C -0.478 0.496 -1.999 1.00 . A A . 3 THR C 1 1 7 1347 1 1 3 THR CA C -1.132 1.857 -1.803 1.00 . A A . 3 THR CA 1 1 7 1348 1 1 3 THR CB C -0.066 2.953 -1.764 1.00 . A A . 3 THR CB 1 1 7 1349 1 1 3 THR CG2 C 0.848 2.857 -0.562 1.00 . A A . 3 THR CG2 1 1 7 1350 1 1 3 THR H H -1.451 1.734 0.281 1.00 . A A . 3 THR H 1 1 7 1351 1 1 3 THR HA H -1.805 2.044 -2.627 1.00 . A A . 3 THR HA 1 1 7 1352 1 1 3 THR HB H -0.556 3.916 -1.730 1.00 . A A . 3 THR HB 1 1 7 1353 1 1 3 THR HG1 H 0.205 3.087 -3.698 1.00 . A A . 3 THR HG1 1 1 7 1354 1 1 3 THR HG21 H 1.874 2.971 -0.879 1.00 . A A . 3 THR HG21 1 1 7 1355 1 1 3 THR HG22 H 0.723 1.893 -0.090 1.00 . A A . 3 THR HG22 1 1 7 1356 1 1 3 THR HG23 H 0.601 3.637 0.143 1.00 . A A . 3 THR HG23 1 1 7 1357 1 1 3 THR N N -1.911 1.857 -0.574 1.00 . A A . 3 THR N 1 1 7 1358 1 1 3 THR O O 0.168 -0.027 -1.091 1.00 . A A . 3 THR O 1 1 7 1359 1 1 3 THR OG1 O 0.744 2.908 -2.924 1.00 . A A . 3 THR OG1 1 1 7 1360 1 1 4 TRP C C 1.194 -1.225 -4.287 1.00 . A A . 4 TRP C 1 1 7 1361 1 1 4 TRP CA C -0.088 -1.384 -3.474 1.00 . A A . 4 TRP CA 1 1 7 1362 1 1 4 TRP CB C -1.143 -2.197 -4.226 1.00 . A A . 4 TRP CB 1 1 7 1363 1 1 4 TRP CD1 C -0.145 -3.476 -6.192 1.00 . A A . 4 TRP CD1 1 1 7 1364 1 1 4 TRP CD2 C -0.583 -4.740 -4.401 1.00 . A A . 4 TRP CD2 1 1 7 1365 1 1 4 TRP CE2 C -0.056 -5.566 -5.410 1.00 . A A . 4 TRP CE2 1 1 7 1366 1 1 4 TRP CE3 C -0.934 -5.309 -3.175 1.00 . A A . 4 TRP CE3 1 1 7 1367 1 1 4 TRP CG C -0.631 -3.412 -4.923 1.00 . A A . 4 TRP CG 1 1 7 1368 1 1 4 TRP CH2 C -0.227 -7.466 -4.017 1.00 . A A . 4 TRP CH2 1 1 7 1369 1 1 4 TRP CZ2 C 0.124 -6.934 -5.230 1.00 . A A . 4 TRP CZ2 1 1 7 1370 1 1 4 TRP CZ3 C -0.752 -6.666 -2.994 1.00 . A A . 4 TRP CZ3 1 1 7 1371 1 1 4 TRP H H -1.183 0.374 -3.867 1.00 . A A . 4 TRP H 1 1 7 1372 1 1 4 TRP HA H 0.142 -1.873 -2.540 1.00 . A A . 4 TRP HA 1 1 7 1373 1 1 4 TRP HB2 H -1.897 -2.519 -3.525 1.00 . A A . 4 TRP HB2 1 1 7 1374 1 1 4 TRP HB3 H -1.606 -1.561 -4.967 1.00 . A A . 4 TRP HB3 1 1 7 1375 1 1 4 TRP HD1 H -0.056 -2.622 -6.848 1.00 . A A . 4 TRP HD1 1 1 7 1376 1 1 4 TRP HE1 H 0.577 -5.074 -7.351 1.00 . A A . 4 TRP HE1 1 1 7 1377 1 1 4 TRP HE3 H -1.339 -4.707 -2.376 1.00 . A A . 4 TRP HE3 1 1 7 1378 1 1 4 TRP HH2 H -0.102 -8.523 -3.833 1.00 . A A . 4 TRP HH2 1 1 7 1379 1 1 4 TRP HZ2 H 0.528 -7.565 -6.008 1.00 . A A . 4 TRP HZ2 1 1 7 1380 1 1 4 TRP HZ3 H -1.014 -7.121 -2.050 1.00 . A A . 4 TRP HZ3 1 1 7 1381 1 1 4 TRP N N -0.654 -0.081 -3.179 1.00 . A A . 4 TRP N 1 1 7 1382 1 1 4 TRP NE1 N 0.203 -4.770 -6.497 1.00 . A A . 4 TRP NE1 1 1 7 1383 1 1 4 TRP O O 1.212 -0.527 -5.301 1.00 . A A . 4 TRP O 1 1 7 1384 1 1 5 GLU C C 4.325 -3.074 -4.513 1.00 . A A . 5 GLU C 1 1 7 1385 1 1 5 GLU CA C 3.556 -1.755 -4.511 1.00 . A A . 5 GLU CA 1 1 7 1386 1 1 5 GLU CB C 4.410 -0.663 -3.864 1.00 . A A . 5 GLU CB 1 1 7 1387 1 1 5 GLU CD C 4.417 1.586 -2.714 1.00 . A A . 5 GLU CD 1 1 7 1388 1 1 5 GLU CG C 3.650 0.628 -3.604 1.00 . A A . 5 GLU CG 1 1 7 1389 1 1 5 GLU H H 2.206 -2.387 -3.005 1.00 . A A . 5 GLU H 1 1 7 1390 1 1 5 GLU HA H 3.358 -1.473 -5.534 1.00 . A A . 5 GLU HA 1 1 7 1391 1 1 5 GLU HB2 H 4.787 -1.030 -2.918 1.00 . A A . 5 GLU HB2 1 1 7 1392 1 1 5 GLU HB3 H 5.244 -0.440 -4.516 1.00 . A A . 5 GLU HB3 1 1 7 1393 1 1 5 GLU HG2 H 3.457 1.114 -4.548 1.00 . A A . 5 GLU HG2 1 1 7 1394 1 1 5 GLU HG3 H 2.712 0.388 -3.125 1.00 . A A . 5 GLU HG3 1 1 7 1395 1 1 5 GLU N N 2.272 -1.857 -3.826 1.00 . A A . 5 GLU N 1 1 7 1396 1 1 5 GLU O O 4.684 -3.600 -3.459 1.00 . A A . 5 GLU O 1 1 7 1397 1 1 5 GLU OE1 O 3.939 1.871 -1.596 1.00 . A A . 5 GLU OE1 1 1 7 1398 1 1 5 GLU OE2 O 5.496 2.053 -3.136 1.00 . A A . 5 GLU OE2 1 1 7 1399 1 1 6 ASN C C 4.911 -5.932 -4.946 1.00 . A A . 6 ASN C 1 1 7 1400 1 1 6 ASN CA C 5.368 -4.812 -5.880 1.00 . A A . 6 ASN CA 1 1 7 1401 1 1 6 ASN CB C 6.856 -4.536 -5.662 1.00 . A A . 6 ASN CB 1 1 7 1402 1 1 6 ASN CG C 7.528 -3.978 -6.902 1.00 . A A . 6 ASN CG 1 1 7 1403 1 1 6 ASN H H 4.310 -3.090 -6.506 1.00 . A A . 6 ASN H 1 1 7 1404 1 1 6 ASN HA H 5.228 -5.140 -6.899 1.00 . A A . 6 ASN HA 1 1 7 1405 1 1 6 ASN HB2 H 6.970 -3.819 -4.860 1.00 . A A . 6 ASN HB2 1 1 7 1406 1 1 6 ASN HB3 H 7.351 -5.460 -5.391 1.00 . A A . 6 ASN HB3 1 1 7 1407 1 1 6 ASN HD21 H 7.409 -5.750 -7.795 1.00 . A A . 6 ASN HD21 1 1 7 1408 1 1 6 ASN HD22 H 8.145 -4.491 -8.721 1.00 . A A . 6 ASN HD22 1 1 7 1409 1 1 6 ASN N N 4.604 -3.578 -5.709 1.00 . A A . 6 ASN N 1 1 7 1410 1 1 6 ASN ND2 N 7.712 -4.825 -7.908 1.00 . A A . 6 ASN ND2 1 1 7 1411 1 1 6 ASN O O 5.731 -6.724 -4.479 1.00 . A A . 6 ASN O 1 1 7 1412 1 1 6 ASN OD1 O 7.876 -2.798 -6.955 1.00 . A A . 6 ASN OD1 1 1 7 1413 1 1 7 GLY C C 2.945 -6.691 -2.381 1.00 . A A . 7 GLY C 1 1 7 1414 1 1 7 GLY CA C 3.111 -7.086 -3.838 1.00 . A A . 7 GLY CA 1 1 7 1415 1 1 7 GLY H H 2.989 -5.385 -5.103 1.00 . A A . 7 GLY H 1 1 7 1416 1 1 7 GLY HA2 H 2.159 -7.413 -4.215 1.00 . A A . 7 GLY HA2 1 1 7 1417 1 1 7 GLY HA3 H 3.800 -7.916 -3.891 1.00 . A A . 7 GLY HA3 1 1 7 1418 1 1 7 GLY N N 3.610 -6.023 -4.693 1.00 . A A . 7 GLY N 1 1 7 1419 1 1 7 GLY O O 2.913 -7.560 -1.510 1.00 . A A . 7 GLY O 1 1 7 1420 1 1 8 LYS C C 1.773 -3.740 -0.584 1.00 . A A . 8 LYS C 1 1 7 1421 1 1 8 LYS CA C 2.696 -4.951 -0.713 1.00 . A A . 8 LYS CA 1 1 7 1422 1 1 8 LYS CB C 4.065 -4.623 -0.114 1.00 . A A . 8 LYS CB 1 1 7 1423 1 1 8 LYS CD C 4.109 -6.245 1.805 1.00 . A A . 8 LYS CD 1 1 7 1424 1 1 8 LYS CE C 4.548 -5.358 2.959 1.00 . A A . 8 LYS CE 1 1 7 1425 1 1 8 LYS CG C 4.764 -5.825 0.499 1.00 . A A . 8 LYS CG 1 1 7 1426 1 1 8 LYS H H 2.884 -4.734 -2.820 1.00 . A A . 8 LYS H 1 1 7 1427 1 1 8 LYS HA H 2.265 -5.770 -0.157 1.00 . A A . 8 LYS HA 1 1 7 1428 1 1 8 LYS HB2 H 4.698 -4.222 -0.891 1.00 . A A . 8 LYS HB2 1 1 7 1429 1 1 8 LYS HB3 H 3.938 -3.876 0.656 1.00 . A A . 8 LYS HB3 1 1 7 1430 1 1 8 LYS HD2 H 3.037 -6.174 1.698 1.00 . A A . 8 LYS HD2 1 1 7 1431 1 1 8 LYS HD3 H 4.385 -7.266 2.022 1.00 . A A . 8 LYS HD3 1 1 7 1432 1 1 8 LYS HE2 H 4.581 -4.334 2.617 1.00 . A A . 8 LYS HE2 1 1 7 1433 1 1 8 LYS HE3 H 3.826 -5.446 3.758 1.00 . A A . 8 LYS HE3 1 1 7 1434 1 1 8 LYS HG2 H 4.718 -6.650 -0.196 1.00 . A A . 8 LYS HG2 1 1 7 1435 1 1 8 LYS HG3 H 5.797 -5.570 0.690 1.00 . A A . 8 LYS HG3 1 1 7 1436 1 1 8 LYS HZ1 H 6.262 -4.992 4.094 1.00 . A A . 8 LYS HZ1 1 1 7 1437 1 1 8 LYS HZ2 H 6.552 -5.877 2.683 1.00 . A A . 8 LYS HZ2 1 1 7 1438 1 1 8 LYS HZ3 H 5.828 -6.625 4.015 1.00 . A A . 8 LYS HZ3 1 1 7 1439 1 1 8 LYS N N 2.848 -5.395 -2.097 1.00 . A A . 8 LYS N 1 1 7 1440 1 1 8 LYS NZ N 5.892 -5.740 3.474 1.00 . A A . 8 LYS NZ 1 1 7 1441 1 1 8 LYS O O 1.927 -2.744 -1.291 1.00 . A A . 8 LYS O 1 1 7 1442 1 1 9 TRP C C 0.422 -1.837 1.704 1.00 . A A . 9 TRP C 1 1 7 1443 1 1 9 TRP CA C -0.124 -2.757 0.612 1.00 . A A . 9 TRP CA 1 1 7 1444 1 1 9 TRP CB C -1.470 -3.339 1.054 1.00 . A A . 9 TRP CB 1 1 7 1445 1 1 9 TRP CD1 C -2.770 -4.973 -0.378 1.00 . A A . 9 TRP CD1 1 1 7 1446 1 1 9 TRP CD2 C -2.991 -2.848 -1.031 1.00 . A A . 9 TRP CD2 1 1 7 1447 1 1 9 TRP CE2 C -3.744 -3.663 -1.898 1.00 . A A . 9 TRP CE2 1 1 7 1448 1 1 9 TRP CE3 C -2.983 -1.466 -1.244 1.00 . A A . 9 TRP CE3 1 1 7 1449 1 1 9 TRP CG C -2.369 -3.717 -0.074 1.00 . A A . 9 TRP CG 1 1 7 1450 1 1 9 TRP CH2 C -4.452 -1.788 -3.145 1.00 . A A . 9 TRP CH2 1 1 7 1451 1 1 9 TRP CZ2 C -4.478 -3.143 -2.960 1.00 . A A . 9 TRP CZ2 1 1 7 1452 1 1 9 TRP CZ3 C -3.714 -0.951 -2.299 1.00 . A A . 9 TRP CZ3 1 1 7 1453 1 1 9 TRP H H 0.770 -4.657 0.882 1.00 . A A . 9 TRP H 1 1 7 1454 1 1 9 TRP HA H -0.258 -2.191 -0.297 1.00 . A A . 9 TRP HA 1 1 7 1455 1 1 9 TRP HB2 H -1.290 -4.228 1.638 1.00 . A A . 9 TRP HB2 1 1 7 1456 1 1 9 TRP HB3 H -1.989 -2.626 1.662 1.00 . A A . 9 TRP HB3 1 1 7 1457 1 1 9 TRP HD1 H -2.468 -5.841 0.177 1.00 . A A . 9 TRP HD1 1 1 7 1458 1 1 9 TRP HE1 H -4.001 -5.746 -1.894 1.00 . A A . 9 TRP HE1 1 1 7 1459 1 1 9 TRP HE3 H -2.425 -0.802 -0.600 1.00 . A A . 9 TRP HE3 1 1 7 1460 1 1 9 TRP HH2 H -5.008 -1.342 -3.956 1.00 . A A . 9 TRP HH2 1 1 7 1461 1 1 9 TRP HZ2 H -5.053 -3.775 -3.622 1.00 . A A . 9 TRP HZ2 1 1 7 1462 1 1 9 TRP HZ3 H -3.719 0.113 -2.480 1.00 . A A . 9 TRP HZ3 1 1 7 1463 1 1 9 TRP N N 0.825 -3.837 0.347 1.00 . A A . 9 TRP N 1 1 7 1464 1 1 9 TRP NE1 N -3.591 -4.959 -1.479 1.00 . A A . 9 TRP NE1 1 1 7 1465 1 1 9 TRP O O 0.791 -2.299 2.784 1.00 . A A . 9 TRP O 1 1 7 1466 1 1 10 THR C C 0.011 1.582 2.591 1.00 . A A . 10 THR C 1 1 7 1467 1 1 10 THR CA C 0.990 0.429 2.389 1.00 . A A . 10 THR CA 1 1 7 1468 1 1 10 THR CB C 2.344 0.972 1.931 1.00 . A A . 10 THR CB 1 1 7 1469 1 1 10 THR CG2 C 3.218 1.441 3.074 1.00 . A A . 10 THR CG2 1 1 7 1470 1 1 10 THR H H 0.176 -0.225 0.544 1.00 . A A . 10 THR H 1 1 7 1471 1 1 10 THR HA H 1.120 -0.083 3.331 1.00 . A A . 10 THR HA 1 1 7 1472 1 1 10 THR HB H 2.179 1.814 1.274 1.00 . A A . 10 THR HB 1 1 7 1473 1 1 10 THR HG1 H 3.843 0.380 0.819 1.00 . A A . 10 THR HG1 1 1 7 1474 1 1 10 THR HG21 H 3.666 0.586 3.560 1.00 . A A . 10 THR HG21 1 1 7 1475 1 1 10 THR HG22 H 2.617 1.986 3.787 1.00 . A A . 10 THR HG22 1 1 7 1476 1 1 10 THR HG23 H 3.996 2.086 2.692 1.00 . A A . 10 THR HG23 1 1 7 1477 1 1 10 THR N N 0.479 -0.539 1.421 1.00 . A A . 10 THR N 1 1 7 1478 1 1 10 THR O O -0.674 1.997 1.658 1.00 . A A . 10 THR O 1 1 7 1479 1 1 10 THR OG1 O 3.065 -0.016 1.216 1.00 . A A . 10 THR OG1 1 1 7 1480 1 1 11 TRP C C -0.220 4.543 3.993 1.00 . A A . 11 TRP C 1 1 7 1481 1 1 11 TRP CA C -0.942 3.206 4.134 1.00 . A A . 11 TRP CA 1 1 7 1482 1 1 11 TRP CB C -1.491 3.057 5.554 1.00 . A A . 11 TRP CB 1 1 7 1483 1 1 11 TRP CD1 C -2.228 5.263 6.628 1.00 . A A . 11 TRP CD1 1 1 7 1484 1 1 11 TRP CD2 C -3.877 4.141 5.609 1.00 . A A . 11 TRP CD2 1 1 7 1485 1 1 11 TRP CE2 C -4.409 5.325 6.154 1.00 . A A . 11 TRP CE2 1 1 7 1486 1 1 11 TRP CE3 C -4.731 3.275 4.918 1.00 . A A . 11 TRP CE3 1 1 7 1487 1 1 11 TRP CG C -2.479 4.121 5.923 1.00 . A A . 11 TRP CG 1 1 7 1488 1 1 11 TRP CH2 C -6.566 4.798 5.351 1.00 . A A . 11 TRP CH2 1 1 7 1489 1 1 11 TRP CZ2 C -5.755 5.664 6.031 1.00 . A A . 11 TRP CZ2 1 1 7 1490 1 1 11 TRP CZ3 C -6.066 3.613 4.797 1.00 . A A . 11 TRP CZ3 1 1 7 1491 1 1 11 TRP H H 0.525 1.728 4.518 1.00 . A A . 11 TRP H 1 1 7 1492 1 1 11 TRP HA H -1.764 3.180 3.435 1.00 . A A . 11 TRP HA 1 1 7 1493 1 1 11 TRP HB2 H -1.984 2.100 5.645 1.00 . A A . 11 TRP HB2 1 1 7 1494 1 1 11 TRP HB3 H -0.669 3.105 6.257 1.00 . A A . 11 TRP HB3 1 1 7 1495 1 1 11 TRP HD1 H -1.257 5.539 7.012 1.00 . A A . 11 TRP HD1 1 1 7 1496 1 1 11 TRP HE1 H -3.460 6.850 7.239 1.00 . A A . 11 TRP HE1 1 1 7 1497 1 1 11 TRP HE3 H -4.365 2.356 4.484 1.00 . A A . 11 TRP HE3 1 1 7 1498 1 1 11 TRP HH2 H -7.616 5.021 5.232 1.00 . A A . 11 TRP HH2 1 1 7 1499 1 1 11 TRP HZ2 H -6.156 6.574 6.452 1.00 . A A . 11 TRP HZ2 1 1 7 1500 1 1 11 TRP HZ3 H -6.741 2.956 4.268 1.00 . A A . 11 TRP HZ3 1 1 7 1501 1 1 11 TRP N N -0.048 2.098 3.814 1.00 . A A . 11 TRP N 1 1 7 1502 1 1 11 TRP NE1 N -3.383 5.992 6.771 1.00 . A A . 11 TRP NE1 1 1 7 1503 1 1 11 TRP O O 0.535 4.947 4.878 1.00 . A A . 11 TRP O 1 1 7 1504 1 1 12 LYS C C -0.400 7.159 1.364 1.00 . A A . 12 LYS C 1 1 7 1505 1 1 12 LYS CA C 0.173 6.514 2.622 1.00 . A A . 12 LYS CA 1 1 7 1506 1 1 12 LYS CB C 1.686 6.346 2.479 1.00 . A A . 12 LYS CB 1 1 7 1507 1 1 12 LYS CD C 3.910 7.514 2.413 1.00 . A A . 12 LYS CD 1 1 7 1508 1 1 12 LYS CE C 4.853 8.280 3.326 1.00 . A A . 12 LYS CE 1 1 7 1509 1 1 12 LYS CG C 2.478 7.566 2.921 1.00 . A A . 12 LYS CG 1 1 7 1510 1 1 12 LYS H H -1.067 4.849 2.209 1.00 . A A . 12 LYS H 1 1 7 1511 1 1 12 LYS HA H -0.032 7.155 3.466 1.00 . A A . 12 LYS HA 1 1 7 1512 1 1 12 LYS HB2 H 2.001 5.504 3.077 1.00 . A A . 12 LYS HB2 1 1 7 1513 1 1 12 LYS HB3 H 1.919 6.149 1.443 1.00 . A A . 12 LYS HB3 1 1 7 1514 1 1 12 LYS HD2 H 4.228 6.484 2.366 1.00 . A A . 12 LYS HD2 1 1 7 1515 1 1 12 LYS HD3 H 3.947 7.949 1.425 1.00 . A A . 12 LYS HD3 1 1 7 1516 1 1 12 LYS HE2 H 5.809 8.379 2.833 1.00 . A A . 12 LYS HE2 1 1 7 1517 1 1 12 LYS HE3 H 4.440 9.261 3.508 1.00 . A A . 12 LYS HE3 1 1 7 1518 1 1 12 LYS HG2 H 2.001 8.453 2.533 1.00 . A A . 12 LYS HG2 1 1 7 1519 1 1 12 LYS HG3 H 2.490 7.604 4.001 1.00 . A A . 12 LYS HG3 1 1 7 1520 1 1 12 LYS HZ1 H 5.238 8.282 5.379 1.00 . A A . 12 LYS HZ1 1 1 7 1521 1 1 12 LYS HZ2 H 5.857 6.933 4.568 1.00 . A A . 12 LYS HZ2 1 1 7 1522 1 1 12 LYS HZ3 H 4.198 7.045 4.878 1.00 . A A . 12 LYS HZ3 1 1 7 1523 1 1 12 LYS N N -0.456 5.223 2.877 1.00 . A A . 12 LYS N 1 1 7 1524 1 1 12 LYS NZ N 5.050 7.587 4.629 1.00 . A A . 12 LYS NZ 1 1 7 1525 1 1 12 LYS O O -0.229 8.356 1.135 1.00 . A A . 12 LYS O 1 1 7 1526 1 1 13 NH2 N N -1.182 6.402 0.603 1.00 . A A . 13 NH2 N 1 1 8 1527 1 1 1 SER C C -4.535 4.089 1.736 1.00 . A A . 1 SER C 1 1 8 1528 1 1 1 SER CA C -5.578 5.199 1.803 1.00 . A A . 1 SER CA 1 1 8 1529 1 1 1 SER CB C -5.683 5.909 0.452 1.00 . A A . 1 SER CB 1 1 8 1530 1 1 1 SER H1 H -4.511 6.839 2.440 1.00 . A A . 1 SER H1 1 1 8 1531 1 1 1 SER H2 H -4.856 5.689 3.666 1.00 . A A . 1 SER H2 1 1 8 1532 1 1 1 SER H3 H -6.095 6.724 3.084 1.00 . A A . 1 SER H3 1 1 8 1533 1 1 1 SER HA H -6.536 4.764 2.052 1.00 . A A . 1 SER HA 1 1 8 1534 1 1 1 SER HB2 H -5.415 5.221 -0.336 1.00 . A A . 1 SER HB2 1 1 8 1535 1 1 1 SER HB3 H -6.698 6.247 0.304 1.00 . A A . 1 SER HB3 1 1 8 1536 1 1 1 SER HG H -3.904 6.729 0.433 1.00 . A A . 1 SER HG 1 1 8 1537 1 1 1 SER N N -5.229 6.203 2.842 1.00 . A A . 1 SER N 1 1 8 1538 1 1 1 SER O O -3.516 4.136 2.425 1.00 . A A . 1 SER O 1 1 8 1539 1 1 1 SER OG O -4.815 7.028 0.394 1.00 . A A . 1 SER OG 1 1 8 1540 1 1 2 TRP C C -3.203 1.994 -0.610 1.00 . A A . 2 TRP C 1 1 8 1541 1 1 2 TRP CA C -3.896 1.959 0.746 1.00 . A A . 2 TRP CA 1 1 8 1542 1 1 2 TRP CB C -4.667 0.650 0.901 1.00 . A A . 2 TRP CB 1 1 8 1543 1 1 2 TRP CD1 C -6.248 0.263 2.883 1.00 . A A . 2 TRP CD1 1 1 8 1544 1 1 2 TRP CD2 C -4.074 0.130 3.374 1.00 . A A . 2 TRP CD2 1 1 8 1545 1 1 2 TRP CE2 C -4.807 -0.104 4.550 1.00 . A A . 2 TRP CE2 1 1 8 1546 1 1 2 TRP CE3 C -2.684 0.101 3.426 1.00 . A A . 2 TRP CE3 1 1 8 1547 1 1 2 TRP CG C -5.007 0.354 2.324 1.00 . A A . 2 TRP CG 1 1 8 1548 1 1 2 TRP CH2 C -2.819 -0.384 5.792 1.00 . A A . 2 TRP CH2 1 1 8 1549 1 1 2 TRP CZ2 C -4.188 -0.364 5.770 1.00 . A A . 2 TRP CZ2 1 1 8 1550 1 1 2 TRP CZ3 C -2.069 -0.153 4.630 1.00 . A A . 2 TRP CZ3 1 1 8 1551 1 1 2 TRP H H -5.635 3.109 0.387 1.00 . A A . 2 TRP H 1 1 8 1552 1 1 2 TRP HA H -3.146 2.015 1.529 1.00 . A A . 2 TRP HA 1 1 8 1553 1 1 2 TRP HB2 H -5.582 0.704 0.335 1.00 . A A . 2 TRP HB2 1 1 8 1554 1 1 2 TRP HB3 H -4.063 -0.162 0.526 1.00 . A A . 2 TRP HB3 1 1 8 1555 1 1 2 TRP HD1 H -7.171 0.393 2.340 1.00 . A A . 2 TRP HD1 1 1 8 1556 1 1 2 TRP HE1 H -6.886 -0.139 4.847 1.00 . A A . 2 TRP HE1 1 1 8 1557 1 1 2 TRP HE3 H -2.089 0.276 2.542 1.00 . A A . 2 TRP HE3 1 1 8 1558 1 1 2 TRP HH2 H -2.294 -0.580 6.715 1.00 . A A . 2 TRP HH2 1 1 8 1559 1 1 2 TRP HZ2 H -4.754 -0.545 6.672 1.00 . A A . 2 TRP HZ2 1 1 8 1560 1 1 2 TRP HZ3 H -0.995 -0.171 4.682 1.00 . A A . 2 TRP HZ3 1 1 8 1561 1 1 2 TRP N N -4.803 3.089 0.905 1.00 . A A . 2 TRP N 1 1 8 1562 1 1 2 TRP NE1 N -6.137 -0.020 4.225 1.00 . A A . 2 TRP NE1 1 1 8 1563 1 1 2 TRP O O -3.849 2.139 -1.648 1.00 . A A . 2 TRP O 1 1 8 1564 1 1 3 THR C C -0.451 0.474 -2.007 1.00 . A A . 3 THR C 1 1 8 1565 1 1 3 THR CA C -1.095 1.840 -1.814 1.00 . A A . 3 THR CA 1 1 8 1566 1 1 3 THR CB C -0.020 2.926 -1.762 1.00 . A A . 3 THR CB 1 1 8 1567 1 1 3 THR CG2 C 0.929 2.773 -0.593 1.00 . A A . 3 THR CG2 1 1 8 1568 1 1 3 THR H H -1.432 1.722 0.268 1.00 . A A . 3 THR H 1 1 8 1569 1 1 3 THR HA H -1.760 2.036 -2.643 1.00 . A A . 3 THR HA 1 1 8 1570 1 1 3 THR HB H -0.501 3.890 -1.673 1.00 . A A . 3 THR HB 1 1 8 1571 1 1 3 THR HG1 H 0.241 3.297 -3.667 1.00 . A A . 3 THR HG1 1 1 8 1572 1 1 3 THR HG21 H 0.825 3.620 0.069 1.00 . A A . 3 THR HG21 1 1 8 1573 1 1 3 THR HG22 H 1.945 2.725 -0.958 1.00 . A A . 3 THR HG22 1 1 8 1574 1 1 3 THR HG23 H 0.696 1.866 -0.056 1.00 . A A . 3 THR HG23 1 1 8 1575 1 1 3 THR N N -1.885 1.844 -0.591 1.00 . A A . 3 THR N 1 1 8 1576 1 1 3 THR O O 0.181 -0.057 -1.095 1.00 . A A . 3 THR O 1 1 8 1577 1 1 3 THR OG1 O 0.755 2.923 -2.948 1.00 . A A . 3 THR OG1 1 1 8 1578 1 1 4 TRP C C 1.208 -1.258 -4.313 1.00 . A A . 4 TRP C 1 1 8 1579 1 1 4 TRP CA C -0.065 -1.405 -3.484 1.00 . A A . 4 TRP CA 1 1 8 1580 1 1 4 TRP CB C -1.133 -2.217 -4.219 1.00 . A A . 4 TRP CB 1 1 8 1581 1 1 4 TRP CD1 C -0.170 -3.521 -6.185 1.00 . A A . 4 TRP CD1 1 1 8 1582 1 1 4 TRP CD2 C -0.587 -4.764 -4.374 1.00 . A A . 4 TRP CD2 1 1 8 1583 1 1 4 TRP CE2 C -0.079 -5.603 -5.382 1.00 . A A . 4 TRP CE2 1 1 8 1584 1 1 4 TRP CE3 C -0.922 -5.318 -3.137 1.00 . A A . 4 TRP CE3 1 1 8 1585 1 1 4 TRP CG C -0.637 -3.442 -4.911 1.00 . A A . 4 TRP CG 1 1 8 1586 1 1 4 TRP CH2 C -0.238 -7.487 -3.965 1.00 . A A . 4 TRP CH2 1 1 8 1587 1 1 4 TRP CZ2 C 0.098 -6.970 -5.189 1.00 . A A . 4 TRP CZ2 1 1 8 1588 1 1 4 TRP CZ3 C -0.744 -6.673 -2.944 1.00 . A A . 4 TRP CZ3 1 1 8 1589 1 1 4 TRP H H -1.141 0.363 -3.882 1.00 . A A . 4 TRP H 1 1 8 1590 1 1 4 TRP HA H 0.172 -1.890 -2.549 1.00 . A A . 4 TRP HA 1 1 8 1591 1 1 4 TRP HB2 H -1.883 -2.528 -3.509 1.00 . A A . 4 TRP HB2 1 1 8 1592 1 1 4 TRP HB3 H -1.598 -1.584 -4.962 1.00 . A A . 4 TRP HB3 1 1 8 1593 1 1 4 TRP HD1 H -0.087 -2.675 -6.851 1.00 . A A . 4 TRP HD1 1 1 8 1594 1 1 4 TRP HE1 H 0.527 -5.135 -7.338 1.00 . A A . 4 TRP HE1 1 1 8 1595 1 1 4 TRP HE3 H -1.312 -4.705 -2.339 1.00 . A A . 4 TRP HE3 1 1 8 1596 1 1 4 TRP HH2 H -0.116 -8.543 -3.771 1.00 . A A . 4 TRP HH2 1 1 8 1597 1 1 4 TRP HZ2 H 0.486 -7.612 -5.966 1.00 . A A . 4 TRP HZ2 1 1 8 1598 1 1 4 TRP HZ3 H -0.993 -7.117 -1.991 1.00 . A A . 4 TRP HZ3 1 1 8 1599 1 1 4 TRP N N -0.622 -0.098 -3.190 1.00 . A A . 4 TRP N 1 1 8 1600 1 1 4 TRP NE1 N 0.167 -4.821 -6.482 1.00 . A A . 4 TRP NE1 1 1 8 1601 1 1 4 TRP O O 1.218 -0.568 -5.332 1.00 . A A . 4 TRP O 1 1 8 1602 1 1 5 GLU C C 4.326 -3.126 -4.558 1.00 . A A . 5 GLU C 1 1 8 1603 1 1 5 GLU CA C 3.565 -1.802 -4.559 1.00 . A A . 5 GLU CA 1 1 8 1604 1 1 5 GLU CB C 4.431 -0.711 -3.929 1.00 . A A . 5 GLU CB 1 1 8 1605 1 1 5 GLU CD C 4.844 0.632 -6.028 1.00 . A A . 5 GLU CD 1 1 8 1606 1 1 5 GLU CG C 5.469 -0.135 -4.879 1.00 . A A . 5 GLU CG 1 1 8 1607 1 1 5 GLU H H 2.228 -2.417 -3.033 1.00 . A A . 5 GLU H 1 1 8 1608 1 1 5 GLU HA H 3.357 -1.528 -5.582 1.00 . A A . 5 GLU HA 1 1 8 1609 1 1 5 GLU HB2 H 3.790 0.096 -3.599 1.00 . A A . 5 GLU HB2 1 1 8 1610 1 1 5 GLU HB3 H 4.948 -1.126 -3.074 1.00 . A A . 5 GLU HB3 1 1 8 1611 1 1 5 GLU HG2 H 6.111 0.535 -4.327 1.00 . A A . 5 GLU HG2 1 1 8 1612 1 1 5 GLU HG3 H 6.057 -0.946 -5.283 1.00 . A A . 5 GLU HG3 1 1 8 1613 1 1 5 GLU N N 2.288 -1.893 -3.859 1.00 . A A . 5 GLU N 1 1 8 1614 1 1 5 GLU O O 4.697 -3.644 -3.505 1.00 . A A . 5 GLU O 1 1 8 1615 1 1 5 GLU OE1 O 3.829 1.323 -5.800 1.00 . A A . 5 GLU OE1 1 1 8 1616 1 1 5 GLU OE2 O 5.371 0.542 -7.158 1.00 . A A . 5 GLU OE2 1 1 8 1617 1 1 6 ASN C C 4.890 -5.991 -4.968 1.00 . A A . 6 ASN C 1 1 8 1618 1 1 6 ASN CA C 5.342 -4.884 -5.921 1.00 . A A . 6 ASN CA 1 1 8 1619 1 1 6 ASN CB C 6.835 -4.615 -5.725 1.00 . A A . 6 ASN CB 1 1 8 1620 1 1 6 ASN CG C 7.484 -4.030 -6.964 1.00 . A A . 6 ASN CG 1 1 8 1621 1 1 6 ASN H H 4.285 -3.163 -6.552 1.00 . A A . 6 ASN H 1 1 8 1622 1 1 6 ASN HA H 5.187 -5.222 -6.934 1.00 . A A . 6 ASN HA 1 1 8 1623 1 1 6 ASN HB2 H 6.965 -3.915 -4.910 1.00 . A A . 6 ASN HB2 1 1 8 1624 1 1 6 ASN HB3 H 7.333 -5.544 -5.483 1.00 . A A . 6 ASN HB3 1 1 8 1625 1 1 6 ASN HD21 H 7.005 -5.652 -8.010 1.00 . A A . 6 ASN HD21 1 1 8 1626 1 1 6 ASN HD22 H 7.857 -4.424 -8.877 1.00 . A A . 6 ASN HD22 1 1 8 1627 1 1 6 ASN N N 4.587 -3.644 -5.753 1.00 . A A . 6 ASN N 1 1 8 1628 1 1 6 ASN ND2 N 7.444 -4.777 -8.061 1.00 . A A . 6 ASN ND2 1 1 8 1629 1 1 6 ASN O O 5.712 -6.781 -4.501 1.00 . A A . 6 ASN O 1 1 8 1630 1 1 6 ASN OD1 O 8.015 -2.920 -6.936 1.00 . A A . 6 ASN OD1 1 1 8 1631 1 1 7 GLY C C 2.950 -6.706 -2.372 1.00 . A A . 7 GLY C 1 1 8 1632 1 1 7 GLY CA C 3.097 -7.121 -3.825 1.00 . A A . 7 GLY CA 1 1 8 1633 1 1 7 GLY H H 2.969 -5.435 -5.109 1.00 . A A . 7 GLY H 1 1 8 1634 1 1 7 GLY HA2 H 2.140 -7.447 -4.187 1.00 . A A . 7 GLY HA2 1 1 8 1635 1 1 7 GLY HA3 H 3.782 -7.955 -3.875 1.00 . A A . 7 GLY HA3 1 1 8 1636 1 1 7 GLY N N 3.592 -6.071 -4.699 1.00 . A A . 7 GLY N 1 1 8 1637 1 1 7 GLY O O 2.923 -7.563 -1.488 1.00 . A A . 7 GLY O 1 1 8 1638 1 1 8 LYS C C 1.787 -3.744 -0.598 1.00 . A A . 8 LYS C 1 1 8 1639 1 1 8 LYS CA C 2.727 -4.942 -0.725 1.00 . A A . 8 LYS CA 1 1 8 1640 1 1 8 LYS CB C 4.103 -4.587 -0.154 1.00 . A A . 8 LYS CB 1 1 8 1641 1 1 8 LYS CD C 4.798 -4.602 2.265 1.00 . A A . 8 LYS CD 1 1 8 1642 1 1 8 LYS CE C 4.327 -5.291 3.536 1.00 . A A . 8 LYS CE 1 1 8 1643 1 1 8 LYS CG C 4.509 -5.447 1.034 1.00 . A A . 8 LYS CG 1 1 8 1644 1 1 8 LYS H H 2.893 -4.755 -2.835 1.00 . A A . 8 LYS H 1 1 8 1645 1 1 8 LYS HA H 2.316 -5.758 -0.149 1.00 . A A . 8 LYS HA 1 1 8 1646 1 1 8 LYS HB2 H 4.844 -4.712 -0.930 1.00 . A A . 8 LYS HB2 1 1 8 1647 1 1 8 LYS HB3 H 4.096 -3.554 0.162 1.00 . A A . 8 LYS HB3 1 1 8 1648 1 1 8 LYS HD2 H 5.862 -4.433 2.332 1.00 . A A . 8 LYS HD2 1 1 8 1649 1 1 8 LYS HD3 H 4.286 -3.656 2.168 1.00 . A A . 8 LYS HD3 1 1 8 1650 1 1 8 LYS HE2 H 3.964 -4.541 4.223 1.00 . A A . 8 LYS HE2 1 1 8 1651 1 1 8 LYS HE3 H 3.524 -5.968 3.286 1.00 . A A . 8 LYS HE3 1 1 8 1652 1 1 8 LYS HG2 H 3.706 -6.132 1.261 1.00 . A A . 8 LYS HG2 1 1 8 1653 1 1 8 LYS HG3 H 5.397 -6.005 0.774 1.00 . A A . 8 LYS HG3 1 1 8 1654 1 1 8 LYS HZ1 H 5.439 -7.034 3.832 1.00 . A A . 8 LYS HZ1 1 1 8 1655 1 1 8 LYS HZ2 H 5.278 -6.081 5.220 1.00 . A A . 8 LYS HZ2 1 1 8 1656 1 1 8 LYS HZ3 H 6.341 -5.611 3.991 1.00 . A A . 8 LYS HZ3 1 1 8 1657 1 1 8 LYS N N 2.862 -5.406 -2.104 1.00 . A A . 8 LYS N 1 1 8 1658 1 1 8 LYS NZ N 5.423 -6.058 4.191 1.00 . A A . 8 LYS NZ 1 1 8 1659 1 1 8 LYS O O 1.909 -2.759 -1.328 1.00 . A A . 8 LYS O 1 1 8 1660 1 1 9 TRP C C 0.443 -1.840 1.711 1.00 . A A . 9 TRP C 1 1 8 1661 1 1 9 TRP CA C -0.098 -2.767 0.623 1.00 . A A . 9 TRP CA 1 1 8 1662 1 1 9 TRP CB C -1.436 -3.363 1.071 1.00 . A A . 9 TRP CB 1 1 8 1663 1 1 9 TRP CD1 C -2.740 -5.002 -0.353 1.00 . A A . 9 TRP CD1 1 1 8 1664 1 1 9 TRP CD2 C -2.965 -2.880 -1.011 1.00 . A A . 9 TRP CD2 1 1 8 1665 1 1 9 TRP CE2 C -3.720 -3.698 -1.874 1.00 . A A . 9 TRP CE2 1 1 8 1666 1 1 9 TRP CE3 C -2.959 -1.497 -1.229 1.00 . A A . 9 TRP CE3 1 1 8 1667 1 1 9 TRP CG C -2.339 -3.745 -0.054 1.00 . A A . 9 TRP CG 1 1 8 1668 1 1 9 TRP CH2 C -4.435 -1.827 -3.124 1.00 . A A . 9 TRP CH2 1 1 8 1669 1 1 9 TRP CZ2 C -4.459 -3.182 -2.935 1.00 . A A . 9 TRP CZ2 1 1 8 1670 1 1 9 TRP CZ3 C -3.695 -0.987 -2.282 1.00 . A A . 9 TRP CZ3 1 1 8 1671 1 1 9 TRP H H 0.833 -4.646 0.909 1.00 . A A . 9 TRP H 1 1 8 1672 1 1 9 TRP HA H -0.241 -2.204 -0.287 1.00 . A A . 9 TRP HA 1 1 8 1673 1 1 9 TRP HB2 H -1.244 -4.252 1.651 1.00 . A A . 9 TRP HB2 1 1 8 1674 1 1 9 TRP HB3 H -1.958 -2.656 1.684 1.00 . A A . 9 TRP HB3 1 1 8 1675 1 1 9 TRP HD1 H -2.435 -5.869 0.204 1.00 . A A . 9 TRP HD1 1 1 8 1676 1 1 9 TRP HE1 H -3.975 -5.781 -1.863 1.00 . A A . 9 TRP HE1 1 1 8 1677 1 1 9 TRP HE3 H -2.401 -0.831 -0.588 1.00 . A A . 9 TRP HE3 1 1 8 1678 1 1 9 TRP HH2 H -4.994 -1.384 -3.935 1.00 . A A . 9 TRP HH2 1 1 8 1679 1 1 9 TRP HZ2 H -5.034 -3.816 -3.593 1.00 . A A . 9 TRP HZ2 1 1 8 1680 1 1 9 TRP HZ3 H -3.702 0.077 -2.467 1.00 . A A . 9 TRP HZ3 1 1 8 1681 1 1 9 TRP N N 0.862 -3.837 0.356 1.00 . A A . 9 TRP N 1 1 8 1682 1 1 9 TRP NE1 N -3.564 -4.992 -1.451 1.00 . A A . 9 TRP NE1 1 1 8 1683 1 1 9 TRP O O 0.822 -2.296 2.789 1.00 . A A . 9 TRP O 1 1 8 1684 1 1 10 THR C C -0.004 1.574 2.597 1.00 . A A . 10 THR C 1 1 8 1685 1 1 10 THR CA C 0.988 0.433 2.392 1.00 . A A . 10 THR CA 1 1 8 1686 1 1 10 THR CB C 2.333 0.992 1.925 1.00 . A A . 10 THR CB 1 1 8 1687 1 1 10 THR CG2 C 3.295 1.264 3.061 1.00 . A A . 10 THR CG2 1 1 8 1688 1 1 10 THR H H 0.173 -0.232 0.550 1.00 . A A . 10 THR H 1 1 8 1689 1 1 10 THR HA H 1.130 -0.077 3.332 1.00 . A A . 10 THR HA 1 1 8 1690 1 1 10 THR HB H 2.163 1.924 1.405 1.00 . A A . 10 THR HB 1 1 8 1691 1 1 10 THR HG1 H 3.573 0.579 0.466 1.00 . A A . 10 THR HG1 1 1 8 1692 1 1 10 THR HG21 H 2.765 1.732 3.878 1.00 . A A . 10 THR HG21 1 1 8 1693 1 1 10 THR HG22 H 4.081 1.922 2.718 1.00 . A A . 10 THR HG22 1 1 8 1694 1 1 10 THR HG23 H 3.726 0.333 3.398 1.00 . A A . 10 THR HG23 1 1 8 1695 1 1 10 THR N N 0.484 -0.541 1.426 1.00 . A A . 10 THR N 1 1 8 1696 1 1 10 THR O O -0.732 1.948 1.681 1.00 . A A . 10 THR O 1 1 8 1697 1 1 10 THR OG1 O 2.967 0.094 1.032 1.00 . A A . 10 THR OG1 1 1 8 1698 1 1 11 TRP C C -0.211 4.566 4.017 1.00 . A A . 11 TRP C 1 1 8 1699 1 1 11 TRP CA C -0.929 3.225 4.128 1.00 . A A . 11 TRP CA 1 1 8 1700 1 1 11 TRP CB C -1.500 3.055 5.537 1.00 . A A . 11 TRP CB 1 1 8 1701 1 1 11 TRP CD1 C -2.252 5.244 6.635 1.00 . A A . 11 TRP CD1 1 1 8 1702 1 1 11 TRP CD2 C -3.886 4.142 5.571 1.00 . A A . 11 TRP CD2 1 1 8 1703 1 1 11 TRP CE2 C -4.425 5.318 6.127 1.00 . A A . 11 TRP CE2 1 1 8 1704 1 1 11 TRP CE3 C -4.730 3.289 4.853 1.00 . A A . 11 TRP CE3 1 1 8 1705 1 1 11 TRP CG C -2.493 4.114 5.908 1.00 . A A . 11 TRP CG 1 1 8 1706 1 1 11 TRP CH2 C -6.569 4.808 5.280 1.00 . A A . 11 TRP CH2 1 1 8 1707 1 1 11 TRP CZ2 C -5.767 5.661 5.987 1.00 . A A . 11 TRP CZ2 1 1 8 1708 1 1 11 TRP CZ3 C -6.062 3.631 4.716 1.00 . A A . 11 TRP CZ3 1 1 8 1709 1 1 11 TRP H H 0.580 1.786 4.499 1.00 . A A . 11 TRP H 1 1 8 1710 1 1 11 TRP HA H -1.740 3.205 3.416 1.00 . A A . 11 TRP HA 1 1 8 1711 1 1 11 TRP HB2 H -1.995 2.097 5.606 1.00 . A A . 11 TRP HB2 1 1 8 1712 1 1 11 TRP HB3 H -0.689 3.091 6.253 1.00 . A A . 11 TRP HB3 1 1 8 1713 1 1 11 TRP HD1 H -1.287 5.513 7.039 1.00 . A A . 11 TRP HD1 1 1 8 1714 1 1 11 TRP HE1 H -3.491 6.824 7.251 1.00 . A A . 11 TRP HE1 1 1 8 1715 1 1 11 TRP HE3 H -4.358 2.376 4.410 1.00 . A A . 11 TRP HE3 1 1 8 1716 1 1 11 TRP HH2 H -7.617 5.034 5.148 1.00 . A A . 11 TRP HH2 1 1 8 1717 1 1 11 TRP HZ2 H -6.174 6.565 6.416 1.00 . A A . 11 TRP HZ2 1 1 8 1718 1 1 11 TRP HZ3 H -6.729 2.984 4.165 1.00 . A A . 11 TRP HZ3 1 1 8 1719 1 1 11 TRP N N -0.026 2.125 3.807 1.00 . A A . 11 TRP N 1 1 8 1720 1 1 11 TRP NE1 N -3.408 5.973 6.771 1.00 . A A . 11 TRP NE1 1 1 8 1721 1 1 11 TRP O O 0.574 4.935 4.891 1.00 . A A . 11 TRP O 1 1 8 1722 1 1 12 LYS C C -0.548 7.330 1.568 1.00 . A A . 12 LYS C 1 1 8 1723 1 1 12 LYS CA C 0.138 6.589 2.711 1.00 . A A . 12 LYS CA 1 1 8 1724 1 1 12 LYS CB C 1.627 6.418 2.404 1.00 . A A . 12 LYS CB 1 1 8 1725 1 1 12 LYS CD C 3.569 7.914 1.851 1.00 . A A . 12 LYS CD 1 1 8 1726 1 1 12 LYS CE C 4.827 8.429 2.533 1.00 . A A . 12 LYS CE 1 1 8 1727 1 1 12 LYS CG C 2.481 7.590 2.861 1.00 . A A . 12 LYS CG 1 1 8 1728 1 1 12 LYS H H -1.117 4.941 2.275 1.00 . A A . 12 LYS H 1 1 8 1729 1 1 12 LYS HA H 0.031 7.169 3.616 1.00 . A A . 12 LYS HA 1 1 8 1730 1 1 12 LYS HB2 H 1.984 5.526 2.897 1.00 . A A . 12 LYS HB2 1 1 8 1731 1 1 12 LYS HB3 H 1.751 6.304 1.337 1.00 . A A . 12 LYS HB3 1 1 8 1732 1 1 12 LYS HD2 H 3.812 7.020 1.298 1.00 . A A . 12 LYS HD2 1 1 8 1733 1 1 12 LYS HD3 H 3.203 8.671 1.173 1.00 . A A . 12 LYS HD3 1 1 8 1734 1 1 12 LYS HE2 H 4.562 8.812 3.507 1.00 . A A . 12 LYS HE2 1 1 8 1735 1 1 12 LYS HE3 H 5.521 7.608 2.646 1.00 . A A . 12 LYS HE3 1 1 8 1736 1 1 12 LYS HG2 H 1.849 8.456 2.986 1.00 . A A . 12 LYS HG2 1 1 8 1737 1 1 12 LYS HG3 H 2.942 7.339 3.806 1.00 . A A . 12 LYS HG3 1 1 8 1738 1 1 12 LYS HZ1 H 6.177 9.107 1.090 1.00 . A A . 12 LYS HZ1 1 1 8 1739 1 1 12 LYS HZ2 H 5.968 10.172 2.387 1.00 . A A . 12 LYS HZ2 1 1 8 1740 1 1 12 LYS HZ3 H 4.768 10.038 1.202 1.00 . A A . 12 LYS HZ3 1 1 8 1741 1 1 12 LYS N N -0.483 5.290 2.937 1.00 . A A . 12 LYS N 1 1 8 1742 1 1 12 LYS NZ N 5.481 9.512 1.748 1.00 . A A . 12 LYS NZ 1 1 8 1743 1 1 12 LYS O O -0.459 8.553 1.465 1.00 . A A . 12 LYS O 1 1 8 1744 1 1 13 NH2 N N -1.335 6.613 0.774 1.00 . A A . 13 NH2 N 1 1 9 1745 1 1 1 SER C C -4.474 4.163 1.800 1.00 . A A . 1 SER C 1 1 9 1746 1 1 1 SER CA C -5.494 5.292 1.885 1.00 . A A . 1 SER CA 1 1 9 1747 1 1 1 SER CB C -5.575 6.032 0.549 1.00 . A A . 1 SER CB 1 1 9 1748 1 1 1 SER H1 H -4.397 6.896 2.563 1.00 . A A . 1 SER H1 1 1 9 1749 1 1 1 SER H2 H -4.774 5.728 3.763 1.00 . A A . 1 SER H2 1 1 9 1750 1 1 1 SER H3 H -5.987 6.801 3.194 1.00 . A A . 1 SER H3 1 1 9 1751 1 1 1 SER HA H -6.462 4.872 2.119 1.00 . A A . 1 SER HA 1 1 9 1752 1 1 1 SER HB2 H -5.724 7.086 0.732 1.00 . A A . 1 SER HB2 1 1 9 1753 1 1 1 SER HB3 H -4.654 5.888 0.003 1.00 . A A . 1 SER HB3 1 1 9 1754 1 1 1 SER HG H -7.222 6.283 -0.483 1.00 . A A . 1 SER HG 1 1 9 1755 1 1 1 SER N N -5.130 6.267 2.947 1.00 . A A . 1 SER N 1 1 9 1756 1 1 1 SER O O -3.447 4.186 2.478 1.00 . A A . 1 SER O 1 1 9 1757 1 1 1 SER OG O -6.651 5.551 -0.237 1.00 . A A . 1 SER OG 1 1 9 1758 1 1 2 TRP C C -3.209 2.057 -0.572 1.00 . A A . 2 TRP C 1 1 9 1759 1 1 2 TRP CA C -3.888 2.026 0.792 1.00 . A A . 2 TRP CA 1 1 9 1760 1 1 2 TRP CB C -4.682 0.731 0.947 1.00 . A A . 2 TRP CB 1 1 9 1761 1 1 2 TRP CD1 C -6.254 0.366 2.941 1.00 . A A . 2 TRP CD1 1 1 9 1762 1 1 2 TRP CD2 C -4.079 0.190 3.414 1.00 . A A . 2 TRP CD2 1 1 9 1763 1 1 2 TRP CE2 C -4.808 -0.034 4.594 1.00 . A A . 2 TRP CE2 1 1 9 1764 1 1 2 TRP CE3 C -2.690 0.135 3.455 1.00 . A A . 2 TRP CE3 1 1 9 1765 1 1 2 TRP CG C -5.016 0.436 2.372 1.00 . A A . 2 TRP CG 1 1 9 1766 1 1 2 TRP CH2 C -2.815 -0.356 5.820 1.00 . A A . 2 TRP CH2 1 1 9 1767 1 1 2 TRP CZ2 C -4.184 -0.310 5.809 1.00 . A A . 2 TRP CZ2 1 1 9 1768 1 1 2 TRP CZ3 C -2.071 -0.136 4.653 1.00 . A A . 2 TRP CZ3 1 1 9 1769 1 1 2 TRP H H -5.607 3.212 0.459 1.00 . A A . 2 TRP H 1 1 9 1770 1 1 2 TRP HA H -3.128 2.063 1.566 1.00 . A A . 2 TRP HA 1 1 9 1771 1 1 2 TRP HB2 H -5.600 0.804 0.389 1.00 . A A . 2 TRP HB2 1 1 9 1772 1 1 2 TRP HB3 H -4.096 -0.091 0.564 1.00 . A A . 2 TRP HB3 1 1 9 1773 1 1 2 TRP HD1 H -7.179 0.516 2.405 1.00 . A A . 2 TRP HD1 1 1 9 1774 1 1 2 TRP HE1 H -6.884 -0.030 4.908 1.00 . A A . 2 TRP HE1 1 1 9 1775 1 1 2 TRP HE3 H -2.100 0.300 2.566 1.00 . A A . 2 TRP HE3 1 1 9 1776 1 1 2 TRP HH2 H -2.288 -0.564 6.739 1.00 . A A . 2 TRP HH2 1 1 9 1777 1 1 2 TRP HZ2 H -4.746 -0.483 6.715 1.00 . A A . 2 TRP HZ2 1 1 9 1778 1 1 2 TRP HZ3 H -0.996 -0.174 4.696 1.00 . A A . 2 TRP HZ3 1 1 9 1779 1 1 2 TRP N N -4.770 3.173 0.967 1.00 . A A . 2 TRP N 1 1 9 1780 1 1 2 TRP NE1 N -6.138 0.077 4.281 1.00 . A A . 2 TRP NE1 1 1 9 1781 1 1 2 TRP O O -3.863 2.224 -1.601 1.00 . A A . 2 TRP O 1 1 9 1782 1 1 3 THR C C -0.466 0.512 -1.994 1.00 . A A . 3 THR C 1 1 9 1783 1 1 3 THR CA C -1.118 1.874 -1.801 1.00 . A A . 3 THR CA 1 1 9 1784 1 1 3 THR CB C -0.050 2.968 -1.768 1.00 . A A . 3 THR CB 1 1 9 1785 1 1 3 THR CG2 C -0.614 4.361 -1.949 1.00 . A A . 3 THR CG2 1 1 9 1786 1 1 3 THR H H -1.433 1.745 0.284 1.00 . A A . 3 THR H 1 1 9 1787 1 1 3 THR HA H -1.793 2.060 -2.623 1.00 . A A . 3 THR HA 1 1 9 1788 1 1 3 THR HB H 0.656 2.792 -2.567 1.00 . A A . 3 THR HB 1 1 9 1789 1 1 3 THR HG1 H 1.477 3.431 -0.633 1.00 . A A . 3 THR HG1 1 1 9 1790 1 1 3 THR HG21 H -0.227 4.791 -2.860 1.00 . A A . 3 THR HG21 1 1 9 1791 1 1 3 THR HG22 H -0.328 4.977 -1.109 1.00 . A A . 3 THR HG22 1 1 9 1792 1 1 3 THR HG23 H -1.692 4.308 -2.005 1.00 . A A . 3 THR HG23 1 1 9 1793 1 1 3 THR N N -1.894 1.882 -0.569 1.00 . A A . 3 THR N 1 1 9 1794 1 1 3 THR O O 0.182 -0.008 -1.087 1.00 . A A . 3 THR O 1 1 9 1795 1 1 3 THR OG1 O 0.654 2.946 -0.539 1.00 . A A . 3 THR OG1 1 1 9 1796 1 1 4 TRP C C 1.202 -1.213 -4.276 1.00 . A A . 4 TRP C 1 1 9 1797 1 1 4 TRP CA C -0.083 -1.372 -3.468 1.00 . A A . 4 TRP CA 1 1 9 1798 1 1 4 TRP CB C -1.137 -2.183 -4.226 1.00 . A A . 4 TRP CB 1 1 9 1799 1 1 4 TRP CD1 C -0.130 -3.454 -6.193 1.00 . A A . 4 TRP CD1 1 1 9 1800 1 1 4 TRP CD2 C -0.577 -4.725 -4.408 1.00 . A A . 4 TRP CD2 1 1 9 1801 1 1 4 TRP CE2 C -0.046 -5.547 -5.418 1.00 . A A . 4 TRP CE2 1 1 9 1802 1 1 4 TRP CE3 C -0.933 -5.299 -3.186 1.00 . A A . 4 TRP CE3 1 1 9 1803 1 1 4 TRP CG C -0.622 -3.395 -4.926 1.00 . A A . 4 TRP CG 1 1 9 1804 1 1 4 TRP CH2 C -0.223 -7.453 -4.033 1.00 . A A . 4 TRP CH2 1 1 9 1805 1 1 4 TRP CZ2 C 0.134 -6.916 -5.242 1.00 . A A . 4 TRP CZ2 1 1 9 1806 1 1 4 TRP CZ3 C -0.752 -6.656 -3.010 1.00 . A A . 4 TRP CZ3 1 1 9 1807 1 1 4 TRP H H -1.178 0.387 -3.859 1.00 . A A . 4 TRP H 1 1 9 1808 1 1 4 TRP HA H 0.143 -1.863 -2.533 1.00 . A A . 4 TRP HA 1 1 9 1809 1 1 4 TRP HB2 H -1.892 -2.507 -3.528 1.00 . A A . 4 TRP HB2 1 1 9 1810 1 1 4 TRP HB3 H -1.598 -1.544 -4.966 1.00 . A A . 4 TRP HB3 1 1 9 1811 1 1 4 TRP HD1 H -0.038 -2.598 -6.845 1.00 . A A . 4 TRP HD1 1 1 9 1812 1 1 4 TRP HE1 H 0.596 -5.048 -7.355 1.00 . A A . 4 TRP HE1 1 1 9 1813 1 1 4 TRP HE3 H -1.341 -4.700 -2.387 1.00 . A A . 4 TRP HE3 1 1 9 1814 1 1 4 TRP HH2 H -0.099 -8.511 -3.852 1.00 . A A . 4 TRP HH2 1 1 9 1815 1 1 4 TRP HZ2 H 0.541 -7.544 -6.021 1.00 . A A . 4 TRP HZ2 1 1 9 1816 1 1 4 TRP HZ3 H -1.018 -7.115 -2.068 1.00 . A A . 4 TRP HZ3 1 1 9 1817 1 1 4 TRP N N -0.647 -0.068 -3.172 1.00 . A A . 4 TRP N 1 1 9 1818 1 1 4 TRP NE1 N 0.218 -4.748 -6.502 1.00 . A A . 4 TRP NE1 1 1 9 1819 1 1 4 TRP O O 1.224 -0.512 -5.288 1.00 . A A . 4 TRP O 1 1 9 1820 1 1 5 GLU C C 4.332 -3.064 -4.501 1.00 . A A . 5 GLU C 1 1 9 1821 1 1 5 GLU CA C 3.563 -1.745 -4.496 1.00 . A A . 5 GLU CA 1 1 9 1822 1 1 5 GLU CB C 4.416 -0.656 -3.842 1.00 . A A . 5 GLU CB 1 1 9 1823 1 1 5 GLU CD C 4.533 0.740 -5.944 1.00 . A A . 5 GLU CD 1 1 9 1824 1 1 5 GLU CG C 5.312 0.084 -4.821 1.00 . A A . 5 GLU CG 1 1 9 1825 1 1 5 GLU H H 2.208 -2.380 -2.994 1.00 . A A . 5 GLU H 1 1 9 1826 1 1 5 GLU HA H 3.368 -1.459 -5.518 1.00 . A A . 5 GLU HA 1 1 9 1827 1 1 5 GLU HB2 H 3.760 0.065 -3.372 1.00 . A A . 5 GLU HB2 1 1 9 1828 1 1 5 GLU HB3 H 5.042 -1.111 -3.086 1.00 . A A . 5 GLU HB3 1 1 9 1829 1 1 5 GLU HG2 H 5.855 0.848 -4.286 1.00 . A A . 5 GLU HG2 1 1 9 1830 1 1 5 GLU HG3 H 6.011 -0.619 -5.251 1.00 . A A . 5 GLU HG3 1 1 9 1831 1 1 5 GLU N N 2.278 -1.848 -3.814 1.00 . A A . 5 GLU N 1 1 9 1832 1 1 5 GLU O O 4.688 -3.595 -3.449 1.00 . A A . 5 GLU O 1 1 9 1833 1 1 5 GLU OE1 O 4.317 0.080 -6.982 1.00 . A A . 5 GLU OE1 1 1 9 1834 1 1 5 GLU OE2 O 4.138 1.914 -5.784 1.00 . A A . 5 GLU OE2 1 1 9 1835 1 1 6 ASN C C 4.919 -5.921 -4.948 1.00 . A A . 6 ASN C 1 1 9 1836 1 1 6 ASN CA C 5.378 -4.796 -5.876 1.00 . A A . 6 ASN CA 1 1 9 1837 1 1 6 ASN CB C 6.866 -4.521 -5.653 1.00 . A A . 6 ASN CB 1 1 9 1838 1 1 6 ASN CG C 7.744 -5.280 -6.628 1.00 . A A . 6 ASN CG 1 1 9 1839 1 1 6 ASN H H 4.322 -3.071 -6.495 1.00 . A A . 6 ASN H 1 1 9 1840 1 1 6 ASN HA H 5.240 -5.118 -6.896 1.00 . A A . 6 ASN HA 1 1 9 1841 1 1 6 ASN HB2 H 7.054 -3.463 -5.777 1.00 . A A . 6 ASN HB2 1 1 9 1842 1 1 6 ASN HB3 H 7.134 -4.818 -4.647 1.00 . A A . 6 ASN HB3 1 1 9 1843 1 1 6 ASN HD21 H 6.841 -6.986 -6.152 1.00 . A A . 6 ASN HD21 1 1 9 1844 1 1 6 ASN HD22 H 8.092 -7.105 -7.337 1.00 . A A . 6 ASN HD22 1 1 9 1845 1 1 6 ASN N N 4.614 -3.562 -5.699 1.00 . A A . 6 ASN N 1 1 9 1846 1 1 6 ASN ND2 N 7.538 -6.589 -6.714 1.00 . A A . 6 ASN ND2 1 1 9 1847 1 1 6 ASN O O 5.738 -6.715 -4.484 1.00 . A A . 6 ASN O 1 1 9 1848 1 1 6 ASN OD1 O 8.598 -4.697 -7.296 1.00 . A A . 6 ASN OD1 1 1 9 1849 1 1 7 GLY C C 2.950 -6.695 -2.392 1.00 . A A . 7 GLY C 1 1 9 1850 1 1 7 GLY CA C 3.117 -7.082 -3.851 1.00 . A A . 7 GLY CA 1 1 9 1851 1 1 7 GLY H H 2.997 -5.374 -5.106 1.00 . A A . 7 GLY H 1 1 9 1852 1 1 7 GLY HA2 H 2.166 -7.406 -4.230 1.00 . A A . 7 GLY HA2 1 1 9 1853 1 1 7 GLY HA3 H 3.806 -7.912 -3.908 1.00 . A A . 7 GLY HA3 1 1 9 1854 1 1 7 GLY N N 3.617 -6.014 -4.699 1.00 . A A . 7 GLY N 1 1 9 1855 1 1 7 GLY O O 2.915 -7.569 -1.525 1.00 . A A . 7 GLY O 1 1 9 1856 1 1 8 LYS C C 1.776 -3.753 -0.584 1.00 . A A . 8 LYS C 1 1 9 1857 1 1 8 LYS CA C 2.699 -4.964 -0.716 1.00 . A A . 8 LYS CA 1 1 9 1858 1 1 8 LYS CB C 4.069 -4.643 -0.112 1.00 . A A . 8 LYS CB 1 1 9 1859 1 1 8 LYS CD C 4.033 -4.918 2.386 1.00 . A A . 8 LYS CD 1 1 9 1860 1 1 8 LYS CE C 2.724 -5.501 2.894 1.00 . A A . 8 LYS CE 1 1 9 1861 1 1 8 LYS CG C 4.441 -5.538 1.059 1.00 . A A . 8 LYS CG 1 1 9 1862 1 1 8 LYS H H 2.890 -4.736 -2.820 1.00 . A A . 8 LYS H 1 1 9 1863 1 1 8 LYS HA H 2.264 -5.785 -0.165 1.00 . A A . 8 LYS HA 1 1 9 1864 1 1 8 LYS HB2 H 4.822 -4.757 -0.877 1.00 . A A . 8 LYS HB2 1 1 9 1865 1 1 8 LYS HB3 H 4.070 -3.619 0.232 1.00 . A A . 8 LYS HB3 1 1 9 1866 1 1 8 LYS HD2 H 4.807 -5.109 3.114 1.00 . A A . 8 LYS HD2 1 1 9 1867 1 1 8 LYS HD3 H 3.915 -3.853 2.253 1.00 . A A . 8 LYS HD3 1 1 9 1868 1 1 8 LYS HE2 H 1.908 -4.905 2.514 1.00 . A A . 8 LYS HE2 1 1 9 1869 1 1 8 LYS HE3 H 2.630 -6.513 2.529 1.00 . A A . 8 LYS HE3 1 1 9 1870 1 1 8 LYS HG2 H 3.939 -6.488 0.948 1.00 . A A . 8 LYS HG2 1 1 9 1871 1 1 8 LYS HG3 H 5.510 -5.692 1.057 1.00 . A A . 8 LYS HG3 1 1 9 1872 1 1 8 LYS HZ1 H 2.150 -4.676 4.725 1.00 . A A . 8 LYS HZ1 1 1 9 1873 1 1 8 LYS HZ2 H 3.623 -5.506 4.780 1.00 . A A . 8 LYS HZ2 1 1 9 1874 1 1 8 LYS HZ3 H 2.169 -6.368 4.712 1.00 . A A . 8 LYS HZ3 1 1 9 1875 1 1 8 LYS N N 2.853 -5.401 -2.101 1.00 . A A . 8 LYS N 1 1 9 1876 1 1 8 LYS NZ N 2.662 -5.514 4.382 1.00 . A A . 8 LYS NZ 1 1 9 1877 1 1 8 LYS O O 1.930 -2.755 -1.287 1.00 . A A . 8 LYS O 1 1 9 1878 1 1 9 TRP C C 0.426 -1.855 1.706 1.00 . A A . 9 TRP C 1 1 9 1879 1 1 9 TRP CA C -0.122 -2.775 0.615 1.00 . A A . 9 TRP CA 1 1 9 1880 1 1 9 TRP CB C -1.467 -3.359 1.059 1.00 . A A . 9 TRP CB 1 1 9 1881 1 1 9 TRP CD1 C -2.771 -4.971 -0.393 1.00 . A A . 9 TRP CD1 1 1 9 1882 1 1 9 TRP CD2 C -3.010 -2.836 -1.003 1.00 . A A . 9 TRP CD2 1 1 9 1883 1 1 9 TRP CE2 C -3.766 -3.639 -1.879 1.00 . A A . 9 TRP CE2 1 1 9 1884 1 1 9 TRP CE3 C -3.012 -1.449 -1.190 1.00 . A A . 9 TRP CE3 1 1 9 1885 1 1 9 TRP CG C -2.374 -3.719 -0.069 1.00 . A A . 9 TRP CG 1 1 9 1886 1 1 9 TRP CH2 C -4.497 -1.744 -3.084 1.00 . A A . 9 TRP CH2 1 1 9 1887 1 1 9 TRP CZ2 C -4.514 -3.103 -2.924 1.00 . A A . 9 TRP CZ2 1 1 9 1888 1 1 9 TRP CZ3 C -3.757 -0.919 -2.228 1.00 . A A . 9 TRP CZ3 1 1 9 1889 1 1 9 TRP H H 0.772 -4.675 0.879 1.00 . A A . 9 TRP H 1 1 9 1890 1 1 9 TRP HA H -0.258 -2.208 -0.294 1.00 . A A . 9 TRP HA 1 1 9 1891 1 1 9 TRP HB2 H -1.285 -4.256 1.630 1.00 . A A . 9 TRP HB2 1 1 9 1892 1 1 9 TRP HB3 H -1.980 -2.652 1.679 1.00 . A A . 9 TRP HB3 1 1 9 1893 1 1 9 TRP HD1 H -2.459 -5.847 0.143 1.00 . A A . 9 TRP HD1 1 1 9 1894 1 1 9 TRP HE1 H -4.011 -5.723 -1.912 1.00 . A A . 9 TRP HE1 1 1 9 1895 1 1 9 TRP HE3 H -2.453 -0.794 -0.539 1.00 . A A . 9 TRP HE3 1 1 9 1896 1 1 9 TRP HH2 H -5.063 -1.286 -3.881 1.00 . A A . 9 TRP HH2 1 1 9 1897 1 1 9 TRP HZ2 H -5.090 -3.725 -3.592 1.00 . A A . 9 TRP HZ2 1 1 9 1898 1 1 9 TRP HZ3 H -3.770 0.148 -2.389 1.00 . A A . 9 TRP HZ3 1 1 9 1899 1 1 9 TRP N N 0.827 -3.853 0.347 1.00 . A A . 9 TRP N 1 1 9 1900 1 1 9 TRP NE1 N -3.602 -4.941 -1.486 1.00 . A A . 9 TRP NE1 1 1 9 1901 1 1 9 TRP O O 0.801 -2.317 2.784 1.00 . A A . 9 TRP O 1 1 9 1902 1 1 10 THR C C -0.002 1.549 2.612 1.00 . A A . 10 THR C 1 1 9 1903 1 1 10 THR CA C 0.991 0.412 2.391 1.00 . A A . 10 THR CA 1 1 9 1904 1 1 10 THR CB C 2.331 0.976 1.916 1.00 . A A . 10 THR CB 1 1 9 1905 1 1 10 THR CG2 C 3.145 1.601 3.028 1.00 . A A . 10 THR CG2 1 1 9 1906 1 1 10 THR H H 0.172 -0.243 0.549 1.00 . A A . 10 THR H 1 1 9 1907 1 1 10 THR HA H 1.141 -0.104 3.328 1.00 . A A . 10 THR HA 1 1 9 1908 1 1 10 THR HB H 2.145 1.739 1.173 1.00 . A A . 10 THR HB 1 1 9 1909 1 1 10 THR HG1 H 3.290 -0.731 1.968 1.00 . A A . 10 THR HG1 1 1 9 1910 1 1 10 THR HG21 H 3.310 0.872 3.807 1.00 . A A . 10 THR HG21 1 1 9 1911 1 1 10 THR HG22 H 2.611 2.447 3.433 1.00 . A A . 10 THR HG22 1 1 9 1912 1 1 10 THR HG23 H 4.097 1.930 2.636 1.00 . A A . 10 THR HG23 1 1 9 1913 1 1 10 THR N N 0.479 -0.556 1.424 1.00 . A A . 10 THR N 1 1 9 1914 1 1 10 THR O O -0.716 1.948 1.694 1.00 . A A . 10 THR O 1 1 9 1915 1 1 10 THR OG1 O 3.121 -0.040 1.323 1.00 . A A . 10 THR OG1 1 1 9 1916 1 1 11 TRP C C -0.261 4.511 3.975 1.00 . A A . 11 TRP C 1 1 9 1917 1 1 11 TRP CA C -0.946 3.163 4.169 1.00 . A A . 11 TRP CA 1 1 9 1918 1 1 11 TRP CB C -1.435 3.028 5.613 1.00 . A A . 11 TRP CB 1 1 9 1919 1 1 11 TRP CD1 C -2.157 5.193 6.776 1.00 . A A . 11 TRP CD1 1 1 9 1920 1 1 11 TRP CD2 C -3.803 4.155 5.667 1.00 . A A . 11 TRP CD2 1 1 9 1921 1 1 11 TRP CE2 C -4.325 5.322 6.258 1.00 . A A . 11 TRP CE2 1 1 9 1922 1 1 11 TRP CE3 C -4.658 3.341 4.916 1.00 . A A . 11 TRP CE3 1 1 9 1923 1 1 11 TRP CG C -2.413 4.092 6.011 1.00 . A A . 11 TRP CG 1 1 9 1924 1 1 11 TRP CH2 C -6.473 4.878 5.382 1.00 . A A . 11 TRP CH2 1 1 9 1925 1 1 11 TRP CZ2 C -5.661 5.693 6.122 1.00 . A A . 11 TRP CZ2 1 1 9 1926 1 1 11 TRP CZ3 C -5.983 3.711 4.783 1.00 . A A . 11 TRP CZ3 1 1 9 1927 1 1 11 TRP H H 0.555 1.713 4.525 1.00 . A A . 11 TRP H 1 1 9 1928 1 1 11 TRP HA H -1.794 3.105 3.504 1.00 . A A . 11 TRP HA 1 1 9 1929 1 1 11 TRP HB2 H -1.920 2.069 5.734 1.00 . A A . 11 TRP HB2 1 1 9 1930 1 1 11 TRP HB3 H -0.586 3.088 6.281 1.00 . A A . 11 TRP HB3 1 1 9 1931 1 1 11 TRP HD1 H -1.191 5.431 7.195 1.00 . A A . 11 TRP HD1 1 1 9 1932 1 1 11 TRP HE1 H -3.373 6.773 7.436 1.00 . A A . 11 TRP HE1 1 1 9 1933 1 1 11 TRP HE3 H -4.300 2.437 4.446 1.00 . A A . 11 TRP HE3 1 1 9 1934 1 1 11 TRP HH2 H -7.516 5.127 5.251 1.00 . A A . 11 TRP HH2 1 1 9 1935 1 1 11 TRP HZ2 H -6.054 6.589 6.577 1.00 . A A . 11 TRP HZ2 1 1 9 1936 1 1 11 TRP HZ3 H -6.658 3.094 4.207 1.00 . A A . 11 TRP HZ3 1 1 9 1937 1 1 11 TRP N N -0.040 2.070 3.834 1.00 . A A . 11 TRP N 1 1 9 1938 1 1 11 TRP NE1 N -3.301 5.937 6.929 1.00 . A A . 11 TRP NE1 1 1 9 1939 1 1 11 TRP O O 0.521 4.948 4.820 1.00 . A A . 11 TRP O 1 1 9 1940 1 1 12 LYS C C -0.617 7.079 1.319 1.00 . A A . 12 LYS C 1 1 9 1941 1 1 12 LYS CA C 0.033 6.461 2.553 1.00 . A A . 12 LYS CA 1 1 9 1942 1 1 12 LYS CB C 1.540 6.316 2.333 1.00 . A A . 12 LYS CB 1 1 9 1943 1 1 12 LYS CD C 3.008 8.191 1.519 1.00 . A A . 12 LYS CD 1 1 9 1944 1 1 12 LYS CE C 1.992 8.618 0.472 1.00 . A A . 12 LYS CE 1 1 9 1945 1 1 12 LYS CG C 2.334 7.553 2.724 1.00 . A A . 12 LYS CG 1 1 9 1946 1 1 12 LYS H H -1.186 4.763 2.221 1.00 . A A . 12 LYS H 1 1 9 1947 1 1 12 LYS HA H -0.138 7.110 3.398 1.00 . A A . 12 LYS HA 1 1 9 1948 1 1 12 LYS HB2 H 1.898 5.483 2.921 1.00 . A A . 12 LYS HB2 1 1 9 1949 1 1 12 LYS HB3 H 1.721 6.111 1.288 1.00 . A A . 12 LYS HB3 1 1 9 1950 1 1 12 LYS HD2 H 3.559 9.061 1.846 1.00 . A A . 12 LYS HD2 1 1 9 1951 1 1 12 LYS HD3 H 3.688 7.477 1.078 1.00 . A A . 12 LYS HD3 1 1 9 1952 1 1 12 LYS HE2 H 1.471 7.741 0.116 1.00 . A A . 12 LYS HE2 1 1 9 1953 1 1 12 LYS HE3 H 1.285 9.295 0.930 1.00 . A A . 12 LYS HE3 1 1 9 1954 1 1 12 LYS HG2 H 1.664 8.272 3.170 1.00 . A A . 12 LYS HG2 1 1 9 1955 1 1 12 LYS HG3 H 3.091 7.270 3.441 1.00 . A A . 12 LYS HG3 1 1 9 1956 1 1 12 LYS HZ1 H 2.635 10.329 -0.539 1.00 . A A . 12 LYS HZ1 1 1 9 1957 1 1 12 LYS HZ2 H 2.121 9.083 -1.560 1.00 . A A . 12 LYS HZ2 1 1 9 1958 1 1 12 LYS HZ3 H 3.621 8.976 -0.785 1.00 . A A . 12 LYS HZ3 1 1 9 1959 1 1 12 LYS N N -0.557 5.164 2.857 1.00 . A A . 12 LYS N 1 1 9 1960 1 1 12 LYS NZ N 2.637 9.299 -0.684 1.00 . A A . 12 LYS NZ 1 1 9 1961 1 1 12 LYS O O -0.708 8.301 1.200 1.00 . A A . 12 LYS O 1 1 9 1962 1 1 13 NH2 N N -1.197 6.244 0.464 1.00 . A A . 13 NH2 N 1 1 10 1963 1 1 1 SER C C -4.487 4.116 1.795 1.00 . A A . 1 SER C 1 1 10 1964 1 1 1 SER CA C -5.515 5.237 1.884 1.00 . A A . 1 SER CA 1 1 10 1965 1 1 1 SER CB C -5.641 5.947 0.535 1.00 . A A . 1 SER CB 1 1 10 1966 1 1 1 SER H1 H -5.986 6.772 3.170 1.00 . A A . 1 SER H1 1 1 10 1967 1 1 1 SER H2 H -4.410 6.861 2.496 1.00 . A A . 1 SER H2 1 1 10 1968 1 1 1 SER H3 H -4.754 5.722 3.732 1.00 . A A . 1 SER H3 1 1 10 1969 1 1 1 SER HA H -6.472 4.813 2.154 1.00 . A A . 1 SER HA 1 1 10 1970 1 1 1 SER HB2 H -5.736 5.211 -0.250 1.00 . A A . 1 SER HB2 1 1 10 1971 1 1 1 SER HB3 H -6.517 6.579 0.544 1.00 . A A . 1 SER HB3 1 1 10 1972 1 1 1 SER HG H -4.633 7.624 0.643 1.00 . A A . 1 SER HG 1 1 10 1973 1 1 1 SER N N -5.132 6.238 2.913 1.00 . A A . 1 SER N 1 1 10 1974 1 1 1 SER O O -3.453 4.153 2.462 1.00 . A A . 1 SER O 1 1 10 1975 1 1 1 SER OG O -4.502 6.748 0.272 1.00 . A A . 1 SER OG 1 1 10 1976 1 1 2 TRP C C -3.227 2.005 -0.576 1.00 . A A . 2 TRP C 1 1 10 1977 1 1 2 TRP CA C -3.892 1.978 0.795 1.00 . A A . 2 TRP CA 1 1 10 1978 1 1 2 TRP CB C -4.672 0.677 0.967 1.00 . A A . 2 TRP CB 1 1 10 1979 1 1 2 TRP CD1 C -6.223 0.311 2.977 1.00 . A A . 2 TRP CD1 1 1 10 1980 1 1 2 TRP CD2 C -4.042 0.161 3.433 1.00 . A A . 2 TRP CD2 1 1 10 1981 1 1 2 TRP CE2 C -4.758 -0.063 4.621 1.00 . A A . 2 TRP CE2 1 1 10 1982 1 1 2 TRP CE3 C -2.651 0.121 3.462 1.00 . A A . 2 TRP CE3 1 1 10 1983 1 1 2 TRP CG C -4.990 0.389 2.397 1.00 . A A . 2 TRP CG 1 1 10 1984 1 1 2 TRP CH2 C -2.752 -0.356 5.831 1.00 . A A . 2 TRP CH2 1 1 10 1985 1 1 2 TRP CZ2 C -4.121 -0.324 5.832 1.00 . A A . 2 TRP CZ2 1 1 10 1986 1 1 2 TRP CZ3 C -2.019 -0.135 4.656 1.00 . A A . 2 TRP CZ3 1 1 10 1987 1 1 2 TRP H H -5.625 3.146 0.472 1.00 . A A . 2 TRP H 1 1 10 1988 1 1 2 TRP HA H -3.124 2.027 1.561 1.00 . A A . 2 TRP HA 1 1 10 1989 1 1 2 TRP HB2 H -5.597 0.739 0.418 1.00 . A A . 2 TRP HB2 1 1 10 1990 1 1 2 TRP HB3 H -4.083 -0.143 0.584 1.00 . A A . 2 TRP HB3 1 1 10 1991 1 1 2 TRP HD1 H -7.154 0.447 2.449 1.00 . A A . 2 TRP HD1 1 1 10 1992 1 1 2 TRP HE1 H -6.831 -0.080 4.952 1.00 . A A . 2 TRP HE1 1 1 10 1993 1 1 2 TRP HE3 H -2.070 0.287 2.568 1.00 . A A . 2 TRP HE3 1 1 10 1994 1 1 2 TRP HH2 H -2.214 -0.552 6.747 1.00 . A A . 2 TRP HH2 1 1 10 1995 1 1 2 TRP HZ2 H -4.673 -0.497 6.744 1.00 . A A . 2 TRP HZ2 1 1 10 1996 1 1 2 TRP HZ3 H -0.944 -0.162 4.691 1.00 . A A . 2 TRP HZ3 1 1 10 1997 1 1 2 TRP N N -4.783 3.118 0.971 1.00 . A A . 2 TRP N 1 1 10 1998 1 1 2 TRP NE1 N -6.092 0.032 4.318 1.00 . A A . 2 TRP NE1 1 1 10 1999 1 1 2 TRP O O -3.893 2.163 -1.599 1.00 . A A . 2 TRP O 1 1 10 2000 1 1 3 THR C C -0.486 0.468 -2.015 1.00 . A A . 3 THR C 1 1 10 2001 1 1 3 THR CA C -1.149 1.825 -1.826 1.00 . A A . 3 THR CA 1 1 10 2002 1 1 3 THR CB C -0.093 2.931 -1.815 1.00 . A A . 3 THR CB 1 1 10 2003 1 1 3 THR CG2 C 0.820 2.876 -0.609 1.00 . A A . 3 THR CG2 1 1 10 2004 1 1 3 THR H H -1.441 1.706 0.263 1.00 . A A . 3 THR H 1 1 10 2005 1 1 3 THR HA H -1.835 1.997 -2.642 1.00 . A A . 3 THR HA 1 1 10 2006 1 1 3 THR HB H -0.590 3.890 -1.810 1.00 . A A . 3 THR HB 1 1 10 2007 1 1 3 THR HG1 H 0.444 3.531 -3.601 1.00 . A A . 3 THR HG1 1 1 10 2008 1 1 3 THR HG21 H 0.755 1.900 -0.153 1.00 . A A . 3 THR HG21 1 1 10 2009 1 1 3 THR HG22 H 0.518 3.628 0.105 1.00 . A A . 3 THR HG22 1 1 10 2010 1 1 3 THR HG23 H 1.838 3.062 -0.919 1.00 . A A . 3 THR HG23 1 1 10 2011 1 1 3 THR N N -1.911 1.837 -0.586 1.00 . A A . 3 THR N 1 1 10 2012 1 1 3 THR O O 0.178 -0.038 -1.111 1.00 . A A . 3 THR O 1 1 10 2013 1 1 3 THR OG1 O 0.720 2.859 -2.973 1.00 . A A . 3 THR OG1 1 1 10 2014 1 1 4 TRP C C 1.191 -1.258 -4.274 1.00 . A A . 4 TRP C 1 1 10 2015 1 1 4 TRP CA C -0.101 -1.424 -3.477 1.00 . A A . 4 TRP CA 1 1 10 2016 1 1 4 TRP CB C -1.144 -2.239 -4.244 1.00 . A A . 4 TRP CB 1 1 10 2017 1 1 4 TRP CD1 C -0.111 -3.503 -6.202 1.00 . A A . 4 TRP CD1 1 1 10 2018 1 1 4 TRP CD2 C -0.573 -4.780 -4.426 1.00 . A A . 4 TRP CD2 1 1 10 2019 1 1 4 TRP CE2 C -0.028 -5.597 -5.432 1.00 . A A . 4 TRP CE2 1 1 10 2020 1 1 4 TRP CE3 C -0.941 -5.358 -3.209 1.00 . A A . 4 TRP CE3 1 1 10 2021 1 1 4 TRP CG C -0.618 -3.448 -4.941 1.00 . A A . 4 TRP CG 1 1 10 2022 1 1 4 TRP CH2 C -0.214 -7.507 -4.055 1.00 . A A . 4 TRP CH2 1 1 10 2023 1 1 4 TRP CZ2 C 0.155 -6.966 -5.258 1.00 . A A . 4 TRP CZ2 1 1 10 2024 1 1 4 TRP CZ3 C -0.757 -6.715 -3.035 1.00 . A A . 4 TRP CZ3 1 1 10 2025 1 1 4 TRP H H -1.217 0.320 -3.871 1.00 . A A . 4 TRP H 1 1 10 2026 1 1 4 TRP HA H 0.119 -1.915 -2.541 1.00 . A A . 4 TRP HA 1 1 10 2027 1 1 4 TRP HB2 H -1.904 -2.568 -3.553 1.00 . A A . 4 TRP HB2 1 1 10 2028 1 1 4 TRP HB3 H -1.601 -1.602 -4.988 1.00 . A A . 4 TRP HB3 1 1 10 2029 1 1 4 TRP HD1 H -0.015 -2.644 -6.852 1.00 . A A . 4 TRP HD1 1 1 10 2030 1 1 4 TRP HE1 H 0.633 -5.091 -7.360 1.00 . A A . 4 TRP HE1 1 1 10 2031 1 1 4 TRP HE3 H -1.361 -4.763 -2.412 1.00 . A A . 4 TRP HE3 1 1 10 2032 1 1 4 TRP HH2 H -0.088 -8.565 -3.876 1.00 . A A . 4 TRP HH2 1 1 10 2033 1 1 4 TRP HZ2 H 0.573 -7.590 -6.034 1.00 . A A . 4 TRP HZ2 1 1 10 2034 1 1 4 TRP HZ3 H -1.032 -7.178 -2.098 1.00 . A A . 4 TRP HZ3 1 1 10 2035 1 1 4 TRP N N -0.674 -0.123 -3.186 1.00 . A A . 4 TRP N 1 1 10 2036 1 1 4 TRP NE1 N 0.245 -4.794 -6.510 1.00 . A A . 4 TRP NE1 1 1 10 2037 1 1 4 TRP O O 1.218 -0.557 -5.285 1.00 . A A . 4 TRP O 1 1 10 2038 1 1 5 GLU C C 4.333 -3.093 -4.474 1.00 . A A . 5 GLU C 1 1 10 2039 1 1 5 GLU CA C 3.557 -1.778 -4.473 1.00 . A A . 5 GLU CA 1 1 10 2040 1 1 5 GLU CB C 4.398 -0.685 -3.811 1.00 . A A . 5 GLU CB 1 1 10 2041 1 1 5 GLU CD C 5.159 1.722 -3.911 1.00 . A A . 5 GLU CD 1 1 10 2042 1 1 5 GLU CG C 4.124 0.707 -4.356 1.00 . A A . 5 GLU CG 1 1 10 2043 1 1 5 GLU H H 2.193 -2.421 -2.984 1.00 . A A . 5 GLU H 1 1 10 2044 1 1 5 GLU HA H 3.369 -1.491 -5.497 1.00 . A A . 5 GLU HA 1 1 10 2045 1 1 5 GLU HB2 H 4.190 -0.681 -2.749 1.00 . A A . 5 GLU HB2 1 1 10 2046 1 1 5 GLU HB3 H 5.446 -0.909 -3.966 1.00 . A A . 5 GLU HB3 1 1 10 2047 1 1 5 GLU HG2 H 4.124 0.665 -5.434 1.00 . A A . 5 GLU HG2 1 1 10 2048 1 1 5 GLU HG3 H 3.153 1.030 -4.009 1.00 . A A . 5 GLU HG3 1 1 10 2049 1 1 5 GLU N N 2.266 -1.888 -3.803 1.00 . A A . 5 GLU N 1 1 10 2050 1 1 5 GLU O O 4.679 -3.626 -3.419 1.00 . A A . 5 GLU O 1 1 10 2051 1 1 5 GLU OE1 O 6.269 1.304 -3.520 1.00 . A A . 5 GLU OE1 1 1 10 2052 1 1 5 GLU OE2 O 4.860 2.933 -3.954 1.00 . A A . 5 GLU OE2 1 1 10 2053 1 1 6 ASN C C 4.940 -5.947 -4.925 1.00 . A A . 6 ASN C 1 1 10 2054 1 1 6 ASN CA C 5.403 -4.815 -5.843 1.00 . A A . 6 ASN CA 1 1 10 2055 1 1 6 ASN CB C 6.887 -4.535 -5.600 1.00 . A A . 6 ASN CB 1 1 10 2056 1 1 6 ASN CG C 7.784 -5.575 -6.243 1.00 . A A . 6 ASN CG 1 1 10 2057 1 1 6 ASN H H 4.346 -3.093 -6.468 1.00 . A A . 6 ASN H 1 1 10 2058 1 1 6 ASN HA H 5.280 -5.134 -6.866 1.00 . A A . 6 ASN HA 1 1 10 2059 1 1 6 ASN HB2 H 7.137 -3.567 -6.013 1.00 . A A . 6 ASN HB2 1 1 10 2060 1 1 6 ASN HB3 H 7.077 -4.531 -4.535 1.00 . A A . 6 ASN HB3 1 1 10 2061 1 1 6 ASN HD21 H 7.282 -4.924 -8.053 1.00 . A A . 6 ASN HD21 1 1 10 2062 1 1 6 ASN HD22 H 8.396 -6.243 -8.013 1.00 . A A . 6 ASN HD22 1 1 10 2063 1 1 6 ASN N N 4.631 -3.586 -5.670 1.00 . A A . 6 ASN N 1 1 10 2064 1 1 6 ASN ND2 N 7.825 -5.581 -7.570 1.00 . A A . 6 ASN ND2 1 1 10 2065 1 1 6 ASN O O 5.757 -6.740 -4.457 1.00 . A A . 6 ASN O 1 1 10 2066 1 1 6 ASN OD1 O 8.432 -6.363 -5.555 1.00 . A A . 6 ASN OD1 1 1 10 2067 1 1 7 GLY C C 2.951 -6.740 -2.392 1.00 . A A . 7 GLY C 1 1 10 2068 1 1 7 GLY CA C 3.131 -7.119 -3.851 1.00 . A A . 7 GLY CA 1 1 10 2069 1 1 7 GLY H H 3.017 -5.405 -5.099 1.00 . A A . 7 GLY H 1 1 10 2070 1 1 7 GLY HA2 H 2.185 -7.444 -4.240 1.00 . A A . 7 GLY HA2 1 1 10 2071 1 1 7 GLY HA3 H 3.824 -7.946 -3.906 1.00 . A A . 7 GLY HA3 1 1 10 2072 1 1 7 GLY N N 3.636 -6.045 -4.689 1.00 . A A . 7 GLY N 1 1 10 2073 1 1 7 GLY O O 2.911 -7.618 -1.530 1.00 . A A . 7 GLY O 1 1 10 2074 1 1 8 LYS C C 1.774 -3.796 -0.579 1.00 . A A . 8 LYS C 1 1 10 2075 1 1 8 LYS CA C 2.682 -5.018 -0.708 1.00 . A A . 8 LYS CA 1 1 10 2076 1 1 8 LYS CB C 4.046 -4.717 -0.085 1.00 . A A . 8 LYS CB 1 1 10 2077 1 1 8 LYS CD C 4.343 -6.869 1.178 1.00 . A A . 8 LYS CD 1 1 10 2078 1 1 8 LYS CE C 4.370 -6.212 2.549 1.00 . A A . 8 LYS CE 1 1 10 2079 1 1 8 LYS CG C 4.912 -5.950 0.109 1.00 . A A . 8 LYS CG 1 1 10 2080 1 1 8 LYS H H 2.890 -4.779 -2.810 1.00 . A A . 8 LYS H 1 1 10 2081 1 1 8 LYS HA H 2.231 -5.837 -0.169 1.00 . A A . 8 LYS HA 1 1 10 2082 1 1 8 LYS HB2 H 4.577 -4.027 -0.725 1.00 . A A . 8 LYS HB2 1 1 10 2083 1 1 8 LYS HB3 H 3.894 -4.255 0.879 1.00 . A A . 8 LYS HB3 1 1 10 2084 1 1 8 LYS HD2 H 3.321 -7.109 0.926 1.00 . A A . 8 LYS HD2 1 1 10 2085 1 1 8 LYS HD3 H 4.930 -7.775 1.211 1.00 . A A . 8 LYS HD3 1 1 10 2086 1 1 8 LYS HE2 H 5.310 -5.695 2.668 1.00 . A A . 8 LYS HE2 1 1 10 2087 1 1 8 LYS HE3 H 3.559 -5.501 2.609 1.00 . A A . 8 LYS HE3 1 1 10 2088 1 1 8 LYS HG2 H 4.966 -6.491 -0.824 1.00 . A A . 8 LYS HG2 1 1 10 2089 1 1 8 LYS HG3 H 5.903 -5.639 0.405 1.00 . A A . 8 LYS HG3 1 1 10 2090 1 1 8 LYS HZ1 H 3.681 -8.030 3.312 1.00 . A A . 8 LYS HZ1 1 1 10 2091 1 1 8 LYS HZ2 H 3.724 -6.781 4.452 1.00 . A A . 8 LYS HZ2 1 1 10 2092 1 1 8 LYS HZ3 H 5.160 -7.529 3.964 1.00 . A A . 8 LYS HZ3 1 1 10 2093 1 1 8 LYS N N 2.848 -5.448 -2.095 1.00 . A A . 8 LYS N 1 1 10 2094 1 1 8 LYS NZ N 4.223 -7.208 3.646 1.00 . A A . 8 LYS NZ 1 1 10 2095 1 1 8 LYS O O 1.957 -2.792 -1.266 1.00 . A A . 8 LYS O 1 1 10 2096 1 1 9 TRP C C 0.427 -1.884 1.681 1.00 . A A . 9 TRP C 1 1 10 2097 1 1 9 TRP CA C -0.131 -2.803 0.594 1.00 . A A . 9 TRP CA 1 1 10 2098 1 1 9 TRP CB C -1.482 -3.371 1.041 1.00 . A A . 9 TRP CB 1 1 10 2099 1 1 9 TRP CD1 C -2.789 -4.990 -0.399 1.00 . A A . 9 TRP CD1 1 1 10 2100 1 1 9 TRP CD2 C -3.019 -2.860 -1.026 1.00 . A A . 9 TRP CD2 1 1 10 2101 1 1 9 TRP CE2 C -3.777 -3.666 -1.897 1.00 . A A . 9 TRP CE2 1 1 10 2102 1 1 9 TRP CE3 C -3.015 -1.475 -1.225 1.00 . A A . 9 TRP CE3 1 1 10 2103 1 1 9 TRP CG C -2.389 -3.738 -0.084 1.00 . A A . 9 TRP CG 1 1 10 2104 1 1 9 TRP CH2 C -4.498 -1.779 -3.118 1.00 . A A . 9 TRP CH2 1 1 10 2105 1 1 9 TRP CZ2 C -4.521 -3.136 -2.948 1.00 . A A . 9 TRP CZ2 1 1 10 2106 1 1 9 TRP CZ3 C -3.756 -0.950 -2.268 1.00 . A A . 9 TRP CZ3 1 1 10 2107 1 1 9 TRP H H 0.729 -4.720 0.853 1.00 . A A . 9 TRP H 1 1 10 2108 1 1 9 TRP HA H -0.261 -2.240 -0.317 1.00 . A A . 9 TRP HA 1 1 10 2109 1 1 9 TRP HB2 H -1.310 -4.263 1.624 1.00 . A A . 9 TRP HB2 1 1 10 2110 1 1 9 TRP HB3 H -1.991 -2.653 1.651 1.00 . A A . 9 TRP HB3 1 1 10 2111 1 1 9 TRP HD1 H -2.481 -5.863 0.144 1.00 . A A . 9 TRP HD1 1 1 10 2112 1 1 9 TRP HE1 H -4.030 -5.750 -1.914 1.00 . A A . 9 TRP HE1 1 1 10 2113 1 1 9 TRP HE3 H -2.454 -0.817 -0.578 1.00 . A A . 9 TRP HE3 1 1 10 2114 1 1 9 TRP HH2 H -5.061 -1.325 -3.920 1.00 . A A . 9 TRP HH2 1 1 10 2115 1 1 9 TRP HZ2 H -5.099 -3.761 -3.612 1.00 . A A . 9 TRP HZ2 1 1 10 2116 1 1 9 TRP HZ3 H -3.764 0.116 -2.437 1.00 . A A . 9 TRP HZ3 1 1 10 2117 1 1 9 TRP N N 0.806 -3.894 0.332 1.00 . A A . 9 TRP N 1 1 10 2118 1 1 9 TRP NE1 N -3.618 -4.966 -1.493 1.00 . A A . 9 TRP NE1 1 1 10 2119 1 1 9 TRP O O 0.795 -2.345 2.762 1.00 . A A . 9 TRP O 1 1 10 2120 1 1 10 THR C C 0.047 1.540 2.554 1.00 . A A . 10 THR C 1 1 10 2121 1 1 10 THR CA C 1.017 0.379 2.354 1.00 . A A . 10 THR CA 1 1 10 2122 1 1 10 THR CB C 2.373 0.910 1.888 1.00 . A A . 10 THR CB 1 1 10 2123 1 1 10 THR CG2 C 3.304 1.257 3.030 1.00 . A A . 10 THR CG2 1 1 10 2124 1 1 10 THR H H 0.192 -0.276 0.515 1.00 . A A . 10 THR H 1 1 10 2125 1 1 10 THR HA H 1.146 -0.130 3.298 1.00 . A A . 10 THR HA 1 1 10 2126 1 1 10 THR HB H 2.217 1.806 1.306 1.00 . A A . 10 THR HB 1 1 10 2127 1 1 10 THR HG1 H 3.136 0.313 0.187 1.00 . A A . 10 THR HG1 1 1 10 2128 1 1 10 THR HG21 H 3.242 2.315 3.237 1.00 . A A . 10 THR HG21 1 1 10 2129 1 1 10 THR HG22 H 4.318 1.002 2.758 1.00 . A A . 10 THR HG22 1 1 10 2130 1 1 10 THR HG23 H 3.017 0.700 3.910 1.00 . A A . 10 THR HG23 1 1 10 2131 1 1 10 THR N N 0.494 -0.588 1.392 1.00 . A A . 10 THR N 1 1 10 2132 1 1 10 THR O O -0.617 1.975 1.615 1.00 . A A . 10 THR O 1 1 10 2133 1 1 10 THR OG1 O 3.031 -0.043 1.072 1.00 . A A . 10 THR OG1 1 1 10 2134 1 1 11 TRP C C -0.209 4.486 3.889 1.00 . A A . 11 TRP C 1 1 10 2135 1 1 11 TRP CA C -0.915 3.152 4.102 1.00 . A A . 11 TRP CA 1 1 10 2136 1 1 11 TRP CB C -1.407 3.047 5.547 1.00 . A A . 11 TRP CB 1 1 10 2137 1 1 11 TRP CD1 C -2.100 5.263 6.630 1.00 . A A . 11 TRP CD1 1 1 10 2138 1 1 11 TRP CD2 C -3.776 4.170 5.624 1.00 . A A . 11 TRP CD2 1 1 10 2139 1 1 11 TRP CE2 C -4.284 5.362 6.175 1.00 . A A . 11 TRP CE2 1 1 10 2140 1 1 11 TRP CE3 C -4.651 3.319 4.940 1.00 . A A . 11 TRP CE3 1 1 10 2141 1 1 11 TRP CG C -2.376 4.126 5.926 1.00 . A A . 11 TRP CG 1 1 10 2142 1 1 11 TRP CH2 C -6.456 4.871 5.391 1.00 . A A . 11 TRP CH2 1 1 10 2143 1 1 11 TRP CZ2 C -5.624 5.723 6.064 1.00 . A A . 11 TRP CZ2 1 1 10 2144 1 1 11 TRP CZ3 C -5.981 3.679 4.831 1.00 . A A . 11 TRP CZ3 1 1 10 2145 1 1 11 TRP H H 0.529 1.654 4.492 1.00 . A A . 11 TRP H 1 1 10 2146 1 1 11 TRP HA H -1.764 3.098 3.437 1.00 . A A . 11 TRP HA 1 1 10 2147 1 1 11 TRP HB2 H -1.900 2.095 5.685 1.00 . A A . 11 TRP HB2 1 1 10 2148 1 1 11 TRP HB3 H -0.558 3.111 6.215 1.00 . A A . 11 TRP HB3 1 1 10 2149 1 1 11 TRP HD1 H -1.121 5.523 7.005 1.00 . A A . 11 TRP HD1 1 1 10 2150 1 1 11 TRP HE1 H -3.300 6.870 7.252 1.00 . A A . 11 TRP HE1 1 1 10 2151 1 1 11 TRP HE3 H -4.304 2.394 4.502 1.00 . A A . 11 TRP HE3 1 1 10 2152 1 1 11 TRP HH2 H -7.503 5.112 5.282 1.00 . A A . 11 TRP HH2 1 1 10 2153 1 1 11 TRP HZ2 H -6.006 6.639 6.489 1.00 . A A . 11 TRP HZ2 1 1 10 2154 1 1 11 TRP HZ3 H -6.671 3.034 4.308 1.00 . A A . 11 TRP HZ3 1 1 10 2155 1 1 11 TRP N N -0.028 2.040 3.783 1.00 . A A . 11 TRP N 1 1 10 2156 1 1 11 TRP NE1 N -3.241 6.011 6.783 1.00 . A A . 11 TRP NE1 1 1 10 2157 1 1 11 TRP O O 0.579 4.924 4.729 1.00 . A A . 11 TRP O 1 1 10 2158 1 1 12 LYS C C -0.435 6.963 1.128 1.00 . A A . 12 LYS C 1 1 10 2159 1 1 12 LYS CA C 0.118 6.412 2.438 1.00 . A A . 12 LYS CA 1 1 10 2160 1 1 12 LYS CB C 1.638 6.265 2.344 1.00 . A A . 12 LYS CB 1 1 10 2161 1 1 12 LYS CD C 3.746 7.092 3.434 1.00 . A A . 12 LYS CD 1 1 10 2162 1 1 12 LYS CE C 4.631 6.413 2.401 1.00 . A A . 12 LYS CE 1 1 10 2163 1 1 12 LYS CG C 2.399 7.481 2.846 1.00 . A A . 12 LYS CG 1 1 10 2164 1 1 12 LYS H H -1.128 4.728 2.130 1.00 . A A . 12 LYS H 1 1 10 2165 1 1 12 LYS HA H -0.120 7.102 3.234 1.00 . A A . 12 LYS HA 1 1 10 2166 1 1 12 LYS HB2 H 1.942 5.410 2.929 1.00 . A A . 12 LYS HB2 1 1 10 2167 1 1 12 LYS HB3 H 1.908 6.099 1.311 1.00 . A A . 12 LYS HB3 1 1 10 2168 1 1 12 LYS HD2 H 4.243 7.982 3.789 1.00 . A A . 12 LYS HD2 1 1 10 2169 1 1 12 LYS HD3 H 3.585 6.414 4.260 1.00 . A A . 12 LYS HD3 1 1 10 2170 1 1 12 LYS HE2 H 4.278 6.675 1.415 1.00 . A A . 12 LYS HE2 1 1 10 2171 1 1 12 LYS HE3 H 5.644 6.766 2.526 1.00 . A A . 12 LYS HE3 1 1 10 2172 1 1 12 LYS HG2 H 2.560 8.159 2.021 1.00 . A A . 12 LYS HG2 1 1 10 2173 1 1 12 LYS HG3 H 1.811 7.972 3.608 1.00 . A A . 12 LYS HG3 1 1 10 2174 1 1 12 LYS HZ1 H 5.411 4.512 2.023 1.00 . A A . 12 LYS HZ1 1 1 10 2175 1 1 12 LYS HZ2 H 3.726 4.545 2.162 1.00 . A A . 12 LYS HZ2 1 1 10 2176 1 1 12 LYS HZ3 H 4.690 4.666 3.546 1.00 . A A . 12 LYS HZ3 1 1 10 2177 1 1 12 LYS N N -0.493 5.128 2.761 1.00 . A A . 12 LYS N 1 1 10 2178 1 1 12 LYS NZ N 4.613 4.930 2.543 1.00 . A A . 12 LYS NZ 1 1 10 2179 1 1 12 LYS O O 0.185 6.826 0.073 1.00 . A A . 12 LYS O 1 1 10 2180 1 1 13 NH2 N N -1.548 7.684 1.201 1.00 . A A . 13 NH2 N 1 1 11 2181 1 1 1 SER C C -4.629 4.021 1.832 1.00 . A A . 1 SER C 1 1 11 2182 1 1 1 SER CA C -5.701 5.101 1.912 1.00 . A A . 1 SER CA 1 1 11 2183 1 1 1 SER CB C -5.862 5.788 0.554 1.00 . A A . 1 SER CB 1 1 11 2184 1 1 1 SER H1 H -4.672 6.785 2.496 1.00 . A A . 1 SER H1 1 1 11 2185 1 1 1 SER H2 H -4.938 5.639 3.745 1.00 . A A . 1 SER H2 1 1 11 2186 1 1 1 SER H3 H -6.230 6.623 3.191 1.00 . A A . 1 SER H3 1 1 11 2187 1 1 1 SER HA H -6.639 4.642 2.192 1.00 . A A . 1 SER HA 1 1 11 2188 1 1 1 SER HB2 H -6.268 6.778 0.700 1.00 . A A . 1 SER HB2 1 1 11 2189 1 1 1 SER HB3 H -4.897 5.862 0.074 1.00 . A A . 1 SER HB3 1 1 11 2190 1 1 1 SER HG H -6.222 4.547 -0.918 1.00 . A A . 1 SER HG 1 1 11 2191 1 1 1 SER N N -5.354 6.130 2.927 1.00 . A A . 1 SER N 1 1 11 2192 1 1 1 SER O O -3.605 4.095 2.509 1.00 . A A . 1 SER O 1 1 11 2193 1 1 1 SER OG O -6.736 5.057 -0.288 1.00 . A A . 1 SER OG 1 1 11 2194 1 1 2 TRP C C -3.269 1.961 -0.529 1.00 . A A . 2 TRP C 1 1 11 2195 1 1 2 TRP CA C -3.946 1.909 0.834 1.00 . A A . 2 TRP CA 1 1 11 2196 1 1 2 TRP CB C -4.681 0.582 0.996 1.00 . A A . 2 TRP CB 1 1 11 2197 1 1 2 TRP CD1 C -6.220 0.145 3.001 1.00 . A A . 2 TRP CD1 1 1 11 2198 1 1 2 TRP CD2 C -4.035 0.074 3.460 1.00 . A A . 2 TRP CD2 1 1 11 2199 1 1 2 TRP CE2 C -4.745 -0.185 4.645 1.00 . A A . 2 TRP CE2 1 1 11 2200 1 1 2 TRP CE3 C -2.644 0.085 3.492 1.00 . A A . 2 TRP CE3 1 1 11 2201 1 1 2 TRP CG C -4.990 0.273 2.424 1.00 . A A . 2 TRP CG 1 1 11 2202 1 1 2 TRP CH2 C -2.731 -0.410 5.858 1.00 . A A . 2 TRP CH2 1 1 11 2203 1 1 2 TRP CZ2 C -4.101 -0.430 5.855 1.00 . A A . 2 TRP CZ2 1 1 11 2204 1 1 2 TRP CZ3 C -2.005 -0.154 4.686 1.00 . A A . 2 TRP CZ3 1 1 11 2205 1 1 2 TRP H H -5.718 3.013 0.496 1.00 . A A . 2 TRP H 1 1 11 2206 1 1 2 TRP HA H -3.189 1.984 1.608 1.00 . A A . 2 TRP HA 1 1 11 2207 1 1 2 TRP HB2 H -5.607 0.615 0.446 1.00 . A A . 2 TRP HB2 1 1 11 2208 1 1 2 TRP HB3 H -4.064 -0.215 0.608 1.00 . A A . 2 TRP HB3 1 1 11 2209 1 1 2 TRP HD1 H -7.155 0.250 2.471 1.00 . A A . 2 TRP HD1 1 1 11 2210 1 1 2 TRP HE1 H -6.817 -0.280 4.972 1.00 . A A . 2 TRP HE1 1 1 11 2211 1 1 2 TRP HE3 H -2.067 0.279 2.600 1.00 . A A . 2 TRP HE3 1 1 11 2212 1 1 2 TRP HH2 H -2.188 -0.592 6.773 1.00 . A A . 2 TRP HH2 1 1 11 2213 1 1 2 TRP HZ2 H -4.648 -0.628 6.765 1.00 . A A . 2 TRP HZ2 1 1 11 2214 1 1 2 TRP HZ3 H -0.930 -0.141 4.723 1.00 . A A . 2 TRP HZ3 1 1 11 2215 1 1 2 TRP N N -4.880 3.015 1.003 1.00 . A A . 2 TRP N 1 1 11 2216 1 1 2 TRP NE1 N -6.081 -0.138 4.340 1.00 . A A . 2 TRP NE1 1 1 11 2217 1 1 2 TRP O O -3.930 2.089 -1.560 1.00 . A A . 2 TRP O 1 1 11 2218 1 1 3 THR C C -0.511 0.505 -1.966 1.00 . A A . 3 THR C 1 1 11 2219 1 1 3 THR CA C -1.173 1.860 -1.758 1.00 . A A . 3 THR CA 1 1 11 2220 1 1 3 THR CB C -0.114 2.962 -1.712 1.00 . A A . 3 THR CB 1 1 11 2221 1 1 3 THR CG2 C -0.667 4.308 -1.296 1.00 . A A . 3 THR CG2 1 1 11 2222 1 1 3 THR H H -1.481 1.735 0.328 1.00 . A A . 3 THR H 1 1 11 2223 1 1 3 THR HA H -1.850 2.050 -2.577 1.00 . A A . 3 THR HA 1 1 11 2224 1 1 3 THR HB H 0.319 3.073 -2.697 1.00 . A A . 3 THR HB 1 1 11 2225 1 1 3 THR HG1 H 1.519 1.998 -1.222 1.00 . A A . 3 THR HG1 1 1 11 2226 1 1 3 THR HG21 H -0.465 4.472 -0.248 1.00 . A A . 3 THR HG21 1 1 11 2227 1 1 3 THR HG22 H -1.734 4.326 -1.464 1.00 . A A . 3 THR HG22 1 1 11 2228 1 1 3 THR HG23 H -0.198 5.086 -1.879 1.00 . A A . 3 THR HG23 1 1 11 2229 1 1 3 THR N N -1.947 1.846 -0.526 1.00 . A A . 3 THR N 1 1 11 2230 1 1 3 THR O O 0.141 -0.019 -1.064 1.00 . A A . 3 THR O 1 1 11 2231 1 1 3 THR OG1 O 0.922 2.625 -0.807 1.00 . A A . 3 THR OG1 1 1 11 2232 1 1 4 TRP C C 1.159 -1.195 -4.276 1.00 . A A . 4 TRP C 1 1 11 2233 1 1 4 TRP CA C -0.114 -1.364 -3.451 1.00 . A A . 4 TRP CA 1 1 11 2234 1 1 4 TRP CB C -1.168 -2.186 -4.196 1.00 . A A . 4 TRP CB 1 1 11 2235 1 1 4 TRP CD1 C -0.154 -3.451 -6.162 1.00 . A A . 4 TRP CD1 1 1 11 2236 1 1 4 TRP CD2 C -0.598 -4.726 -4.381 1.00 . A A . 4 TRP CD2 1 1 11 2237 1 1 4 TRP CE2 C -0.062 -5.545 -5.391 1.00 . A A . 4 TRP CE2 1 1 11 2238 1 1 4 TRP CE3 C -0.954 -5.304 -3.160 1.00 . A A . 4 TRP CE3 1 1 11 2239 1 1 4 TRP CG C -0.649 -3.396 -4.897 1.00 . A A . 4 TRP CG 1 1 11 2240 1 1 4 TRP CH2 C -0.234 -7.453 -4.009 1.00 . A A . 4 TRP CH2 1 1 11 2241 1 1 4 TRP CZ2 C 0.123 -6.913 -5.216 1.00 . A A . 4 TRP CZ2 1 1 11 2242 1 1 4 TRP CZ3 C -0.768 -6.660 -2.985 1.00 . A A . 4 TRP CZ3 1 1 11 2243 1 1 4 TRP H H -1.223 0.389 -3.832 1.00 . A A . 4 TRP H 1 1 11 2244 1 1 4 TRP HA H 0.128 -1.853 -2.520 1.00 . A A . 4 TRP HA 1 1 11 2245 1 1 4 TRP HB2 H -1.914 -2.516 -3.489 1.00 . A A . 4 TRP HB2 1 1 11 2246 1 1 4 TRP HB3 H -1.643 -1.554 -4.933 1.00 . A A . 4 TRP HB3 1 1 11 2247 1 1 4 TRP HD1 H -0.065 -2.594 -6.814 1.00 . A A . 4 TRP HD1 1 1 11 2248 1 1 4 TRP HE1 H 0.581 -5.040 -7.326 1.00 . A A . 4 TRP HE1 1 1 11 2249 1 1 4 TRP HE3 H -1.367 -4.707 -2.360 1.00 . A A . 4 TRP HE3 1 1 11 2250 1 1 4 TRP HH2 H -0.106 -8.511 -3.830 1.00 . A A . 4 TRP HH2 1 1 11 2251 1 1 4 TRP HZ2 H 0.534 -7.538 -5.995 1.00 . A A . 4 TRP HZ2 1 1 11 2252 1 1 4 TRP HZ3 H -1.034 -7.122 -2.045 1.00 . A A . 4 TRP HZ3 1 1 11 2253 1 1 4 TRP N N -0.688 -0.067 -3.148 1.00 . A A . 4 TRP N 1 1 11 2254 1 1 4 TRP NE1 N 0.201 -4.743 -6.473 1.00 . A A . 4 TRP NE1 1 1 11 2255 1 1 4 TRP O O 1.163 -0.497 -5.290 1.00 . A A . 4 TRP O 1 1 11 2256 1 1 5 GLU C C 4.300 -3.023 -4.525 1.00 . A A . 5 GLU C 1 1 11 2257 1 1 5 GLU CA C 3.523 -1.709 -4.520 1.00 . A A . 5 GLU CA 1 1 11 2258 1 1 5 GLU CB C 4.374 -0.610 -3.882 1.00 . A A . 5 GLU CB 1 1 11 2259 1 1 5 GLU CD C 6.337 0.958 -4.139 1.00 . A A . 5 GLU CD 1 1 11 2260 1 1 5 GLU CG C 5.382 0.009 -4.836 1.00 . A A . 5 GLU CG 1 1 11 2261 1 1 5 GLU H H 2.190 -2.350 -3.002 1.00 . A A . 5 GLU H 1 1 11 2262 1 1 5 GLU HA H 3.314 -1.431 -5.542 1.00 . A A . 5 GLU HA 1 1 11 2263 1 1 5 GLU HB2 H 3.719 0.174 -3.524 1.00 . A A . 5 GLU HB2 1 1 11 2264 1 1 5 GLU HB3 H 4.914 -1.031 -3.043 1.00 . A A . 5 GLU HB3 1 1 11 2265 1 1 5 GLU HG2 H 5.956 -0.781 -5.295 1.00 . A A . 5 GLU HG2 1 1 11 2266 1 1 5 GLU HG3 H 4.847 0.555 -5.599 1.00 . A A . 5 GLU HG3 1 1 11 2267 1 1 5 GLU N N 2.246 -1.819 -3.824 1.00 . A A . 5 GLU N 1 1 11 2268 1 1 5 GLU O O 4.670 -3.545 -3.475 1.00 . A A . 5 GLU O 1 1 11 2269 1 1 5 GLU OE1 O 5.862 1.822 -3.372 1.00 . A A . 5 GLU OE1 1 1 11 2270 1 1 5 GLU OE2 O 7.560 0.838 -4.360 1.00 . A A . 5 GLU OE2 1 1 11 2271 1 1 6 ASN C C 4.904 -5.879 -4.952 1.00 . A A . 6 ASN C 1 1 11 2272 1 1 6 ASN CA C 5.347 -4.757 -5.892 1.00 . A A . 6 ASN CA 1 1 11 2273 1 1 6 ASN CB C 6.836 -4.469 -5.684 1.00 . A A . 6 ASN CB 1 1 11 2274 1 1 6 ASN CG C 7.527 -4.050 -6.966 1.00 . A A . 6 ASN CG 1 1 11 2275 1 1 6 ASN H H 4.274 -3.045 -6.518 1.00 . A A . 6 ASN H 1 1 11 2276 1 1 6 ASN HA H 5.205 -5.089 -6.909 1.00 . A A . 6 ASN HA 1 1 11 2277 1 1 6 ASN HB2 H 6.944 -3.670 -4.962 1.00 . A A . 6 ASN HB2 1 1 11 2278 1 1 6 ASN HB3 H 7.321 -5.360 -5.309 1.00 . A A . 6 ASN HB3 1 1 11 2279 1 1 6 ASN HD21 H 6.062 -2.768 -7.368 1.00 . A A . 6 ASN HD21 1 1 11 2280 1 1 6 ASN HD22 H 7.339 -2.835 -8.529 1.00 . A A . 6 ASN HD22 1 1 11 2281 1 1 6 ASN N N 4.576 -3.528 -5.721 1.00 . A A . 6 ASN N 1 1 11 2282 1 1 6 ASN ND2 N 6.914 -3.124 -7.694 1.00 . A A . 6 ASN ND2 1 1 11 2283 1 1 6 ASN O O 5.731 -6.666 -4.491 1.00 . A A . 6 ASN O 1 1 11 2284 1 1 6 ASN OD1 O 8.601 -4.552 -7.299 1.00 . A A . 6 ASN OD1 1 1 11 2285 1 1 7 GLY C C 2.953 -6.664 -2.373 1.00 . A A . 7 GLY C 1 1 11 2286 1 1 7 GLY CA C 3.117 -7.048 -3.834 1.00 . A A . 7 GLY CA 1 1 11 2287 1 1 7 GLY H H 2.976 -5.347 -5.099 1.00 . A A . 7 GLY H 1 1 11 2288 1 1 7 GLY HA2 H 2.167 -7.381 -4.208 1.00 . A A . 7 GLY HA2 1 1 11 2289 1 1 7 GLY HA3 H 3.813 -7.873 -3.895 1.00 . A A . 7 GLY HA3 1 1 11 2290 1 1 7 GLY N N 3.605 -5.980 -4.691 1.00 . A A . 7 GLY N 1 1 11 2291 1 1 7 GLY O O 2.925 -7.541 -1.510 1.00 . A A . 7 GLY O 1 1 11 2292 1 1 8 LYS C C 1.778 -3.726 -0.549 1.00 . A A . 8 LYS C 1 1 11 2293 1 1 8 LYS CA C 2.688 -4.946 -0.686 1.00 . A A . 8 LYS CA 1 1 11 2294 1 1 8 LYS CB C 4.054 -4.651 -0.061 1.00 . A A . 8 LYS CB 1 1 11 2295 1 1 8 LYS CD C 5.603 -2.689 0.205 1.00 . A A . 8 LYS CD 1 1 11 2296 1 1 8 LYS CE C 4.671 -1.979 1.174 1.00 . A A . 8 LYS CE 1 1 11 2297 1 1 8 LYS CG C 4.833 -3.559 -0.776 1.00 . A A . 8 LYS CG 1 1 11 2298 1 1 8 LYS H H 2.874 -4.703 -2.791 1.00 . A A . 8 LYS H 1 1 11 2299 1 1 8 LYS HA H 2.236 -5.766 -0.149 1.00 . A A . 8 LYS HA 1 1 11 2300 1 1 8 LYS HB2 H 3.907 -4.345 0.965 1.00 . A A . 8 LYS HB2 1 1 11 2301 1 1 8 LYS HB3 H 4.645 -5.554 -0.075 1.00 . A A . 8 LYS HB3 1 1 11 2302 1 1 8 LYS HD2 H 6.283 -3.311 0.767 1.00 . A A . 8 LYS HD2 1 1 11 2303 1 1 8 LYS HD3 H 6.164 -1.950 -0.349 1.00 . A A . 8 LYS HD3 1 1 11 2304 1 1 8 LYS HE2 H 4.904 -0.924 1.170 1.00 . A A . 8 LYS HE2 1 1 11 2305 1 1 8 LYS HE3 H 3.652 -2.122 0.846 1.00 . A A . 8 LYS HE3 1 1 11 2306 1 1 8 LYS HG2 H 5.533 -4.019 -1.458 1.00 . A A . 8 LYS HG2 1 1 11 2307 1 1 8 LYS HG3 H 4.143 -2.940 -1.329 1.00 . A A . 8 LYS HG3 1 1 11 2308 1 1 8 LYS HZ1 H 3.878 -2.555 3.019 1.00 . A A . 8 LYS HZ1 1 1 11 2309 1 1 8 LYS HZ2 H 5.420 -1.868 3.121 1.00 . A A . 8 LYS HZ2 1 1 11 2310 1 1 8 LYS HZ3 H 5.235 -3.449 2.548 1.00 . A A . 8 LYS HZ3 1 1 11 2311 1 1 8 LYS N N 2.846 -5.372 -2.075 1.00 . A A . 8 LYS N 1 1 11 2312 1 1 8 LYS NZ N 4.811 -2.499 2.562 1.00 . A A . 8 LYS NZ 1 1 11 2313 1 1 8 LYS O O 1.949 -2.722 -1.240 1.00 . A A . 8 LYS O 1 1 11 2314 1 1 9 TRP C C 0.428 -1.820 1.726 1.00 . A A . 9 TRP C 1 1 11 2315 1 1 9 TRP CA C -0.124 -2.741 0.637 1.00 . A A . 9 TRP CA 1 1 11 2316 1 1 9 TRP CB C -1.472 -3.316 1.083 1.00 . A A . 9 TRP CB 1 1 11 2317 1 1 9 TRP CD1 C -2.771 -4.964 -0.335 1.00 . A A . 9 TRP CD1 1 1 11 2318 1 1 9 TRP CD2 C -2.985 -2.847 -1.013 1.00 . A A . 9 TRP CD2 1 1 11 2319 1 1 9 TRP CE2 C -3.736 -3.670 -1.874 1.00 . A A . 9 TRP CE2 1 1 11 2320 1 1 9 TRP CE3 C -2.973 -1.467 -1.243 1.00 . A A . 9 TRP CE3 1 1 11 2321 1 1 9 TRP CG C -2.368 -3.706 -0.044 1.00 . A A . 9 TRP CG 1 1 11 2322 1 1 9 TRP CH2 C -4.437 -1.808 -3.145 1.00 . A A . 9 TRP CH2 1 1 11 2323 1 1 9 TRP CZ2 C -4.466 -3.161 -2.944 1.00 . A A . 9 TRP CZ2 1 1 11 2324 1 1 9 TRP CZ3 C -3.700 -0.963 -2.306 1.00 . A A . 9 TRP CZ3 1 1 11 2325 1 1 9 TRP H H 0.746 -4.654 0.890 1.00 . A A . 9 TRP H 1 1 11 2326 1 1 9 TRP HA H -0.259 -2.176 -0.273 1.00 . A A . 9 TRP HA 1 1 11 2327 1 1 9 TRP HB2 H -1.295 -4.198 1.678 1.00 . A A . 9 TRP HB2 1 1 11 2328 1 1 9 TRP HB3 H -1.992 -2.595 1.680 1.00 . A A . 9 TRP HB3 1 1 11 2329 1 1 9 TRP HD1 H -2.473 -5.826 0.231 1.00 . A A . 9 TRP HD1 1 1 11 2330 1 1 9 TRP HE1 H -3.998 -5.752 -1.846 1.00 . A A . 9 TRP HE1 1 1 11 2331 1 1 9 TRP HE3 H -2.415 -0.798 -0.605 1.00 . A A . 9 TRP HE3 1 1 11 2332 1 1 9 TRP HH2 H -4.989 -1.370 -3.963 1.00 . A A . 9 TRP HH2 1 1 11 2333 1 1 9 TRP HZ2 H -5.040 -3.799 -3.600 1.00 . A A . 9 TRP HZ2 1 1 11 2334 1 1 9 TRP HZ3 H -3.702 0.099 -2.500 1.00 . A A . 9 TRP HZ3 1 1 11 2335 1 1 9 TRP N N 0.817 -3.826 0.370 1.00 . A A . 9 TRP N 1 1 11 2336 1 1 9 TRP NE1 N -3.588 -4.961 -1.438 1.00 . A A . 9 TRP NE1 1 1 11 2337 1 1 9 TRP O O 0.797 -2.280 2.806 1.00 . A A . 9 TRP O 1 1 11 2338 1 1 10 THR C C 0.022 1.603 2.597 1.00 . A A . 10 THR C 1 1 11 2339 1 1 10 THR CA C 1.001 0.448 2.401 1.00 . A A . 10 THR CA 1 1 11 2340 1 1 10 THR CB C 2.359 0.986 1.940 1.00 . A A . 10 THR CB 1 1 11 2341 1 1 10 THR CG2 C 3.519 0.455 2.754 1.00 . A A . 10 THR CG2 1 1 11 2342 1 1 10 THR H H 0.182 -0.212 0.561 1.00 . A A . 10 THR H 1 1 11 2343 1 1 10 THR HA H 1.130 -0.060 3.345 1.00 . A A . 10 THR HA 1 1 11 2344 1 1 10 THR HB H 2.359 2.064 2.031 1.00 . A A . 10 THR HB 1 1 11 2345 1 1 10 THR HG1 H 2.723 -0.294 0.503 1.00 . A A . 10 THR HG1 1 1 11 2346 1 1 10 THR HG21 H 3.513 0.913 3.732 1.00 . A A . 10 THR HG21 1 1 11 2347 1 1 10 THR HG22 H 4.447 0.689 2.253 1.00 . A A . 10 THR HG22 1 1 11 2348 1 1 10 THR HG23 H 3.426 -0.616 2.857 1.00 . A A . 10 THR HG23 1 1 11 2349 1 1 10 THR N N 0.487 -0.523 1.438 1.00 . A A . 10 THR N 1 1 11 2350 1 1 10 THR O O -0.601 2.069 1.644 1.00 . A A . 10 THR O 1 1 11 2351 1 1 10 THR OG1 O 2.598 0.655 0.584 1.00 . A A . 10 THR OG1 1 1 11 2352 1 1 11 TRP C C -0.304 4.507 3.975 1.00 . A A . 11 TRP C 1 1 11 2353 1 1 11 TRP CA C -1.007 3.166 4.154 1.00 . A A . 11 TRP CA 1 1 11 2354 1 1 11 TRP CB C -1.525 3.037 5.588 1.00 . A A . 11 TRP CB 1 1 11 2355 1 1 11 TRP CD1 C -2.282 5.244 6.645 1.00 . A A . 11 TRP CD1 1 1 11 2356 1 1 11 TRP CD2 C -3.925 4.090 5.653 1.00 . A A . 11 TRP CD2 1 1 11 2357 1 1 11 TRP CE2 C -4.468 5.273 6.191 1.00 . A A . 11 TRP CE2 1 1 11 2358 1 1 11 TRP CE3 C -4.773 3.206 4.979 1.00 . A A . 11 TRP CE3 1 1 11 2359 1 1 11 TRP CG C -2.524 4.092 5.955 1.00 . A A . 11 TRP CG 1 1 11 2360 1 1 11 TRP CH2 C -6.625 4.708 5.412 1.00 . A A . 11 TRP CH2 1 1 11 2361 1 1 11 TRP CZ2 C -5.819 5.592 6.076 1.00 . A A . 11 TRP CZ2 1 1 11 2362 1 1 11 TRP CZ3 C -6.114 3.524 4.867 1.00 . A A . 11 TRP CZ3 1 1 11 2363 1 1 11 TRP H H 0.420 1.654 4.556 1.00 . A A . 11 TRP H 1 1 11 2364 1 1 11 TRP HA H -1.842 3.117 3.472 1.00 . A A . 11 TRP HA 1 1 11 2365 1 1 11 TRP HB2 H -2.000 2.074 5.708 1.00 . A A . 11 TRP HB2 1 1 11 2366 1 1 11 TRP HB3 H -0.691 3.114 6.273 1.00 . A A . 11 TRP HB3 1 1 11 2367 1 1 11 TRP HD1 H -1.312 5.538 7.018 1.00 . A A . 11 TRP HD1 1 1 11 2368 1 1 11 TRP HE1 H -3.530 6.822 7.250 1.00 . A A . 11 TRP HE1 1 1 11 2369 1 1 11 TRP HE3 H -4.398 2.287 4.552 1.00 . A A . 11 TRP HE3 1 1 11 2370 1 1 11 TRP HH2 H -7.679 4.915 5.300 1.00 . A A . 11 TRP HH2 1 1 11 2371 1 1 11 TRP HZ2 H -6.229 6.501 6.491 1.00 . A A . 11 TRP HZ2 1 1 11 2372 1 1 11 TRP HZ3 H -6.784 2.852 4.350 1.00 . A A . 11 TRP HZ3 1 1 11 2373 1 1 11 TRP N N -0.106 2.063 3.838 1.00 . A A . 11 TRP N 1 1 11 2374 1 1 11 TRP NE1 N -3.446 5.960 6.792 1.00 . A A . 11 TRP NE1 1 1 11 2375 1 1 11 TRP O O 0.463 4.936 4.837 1.00 . A A . 11 TRP O 1 1 11 2376 1 1 12 LYS C C -0.478 7.017 1.239 1.00 . A A . 12 LYS C 1 1 11 2377 1 1 12 LYS CA C 0.040 6.456 2.561 1.00 . A A . 12 LYS CA 1 1 11 2378 1 1 12 LYS CB C 1.563 6.325 2.513 1.00 . A A . 12 LYS CB 1 1 11 2379 1 1 12 LYS CD C 3.663 7.705 2.543 1.00 . A A . 12 LYS CD 1 1 11 2380 1 1 12 LYS CE C 3.606 8.730 1.423 1.00 . A A . 12 LYS CE 1 1 11 2381 1 1 12 LYS CG C 2.295 7.485 3.168 1.00 . A A . 12 LYS CG 1 1 11 2382 1 1 12 LYS H H -1.189 4.770 2.202 1.00 . A A . 12 LYS H 1 1 11 2383 1 1 12 LYS HA H -0.229 7.135 3.356 1.00 . A A . 12 LYS HA 1 1 11 2384 1 1 12 LYS HB2 H 1.850 5.414 3.019 1.00 . A A . 12 LYS HB2 1 1 11 2385 1 1 12 LYS HB3 H 1.877 6.266 1.481 1.00 . A A . 12 LYS HB3 1 1 11 2386 1 1 12 LYS HD2 H 4.343 8.056 3.305 1.00 . A A . 12 LYS HD2 1 1 11 2387 1 1 12 LYS HD3 H 4.020 6.767 2.143 1.00 . A A . 12 LYS HD3 1 1 11 2388 1 1 12 LYS HE2 H 4.489 8.626 0.811 1.00 . A A . 12 LYS HE2 1 1 11 2389 1 1 12 LYS HE3 H 2.728 8.540 0.823 1.00 . A A . 12 LYS HE3 1 1 11 2390 1 1 12 LYS HG2 H 1.707 8.383 3.048 1.00 . A A . 12 LYS HG2 1 1 11 2391 1 1 12 LYS HG3 H 2.419 7.271 4.220 1.00 . A A . 12 LYS HG3 1 1 11 2392 1 1 12 LYS HZ1 H 2.577 10.339 2.271 1.00 . A A . 12 LYS HZ1 1 1 11 2393 1 1 12 LYS HZ2 H 3.805 10.798 1.201 1.00 . A A . 12 LYS HZ2 1 1 11 2394 1 1 12 LYS HZ3 H 4.198 10.234 2.747 1.00 . A A . 12 LYS HZ3 1 1 11 2395 1 1 12 LYS N N -0.570 5.164 2.851 1.00 . A A . 12 LYS N 1 1 11 2396 1 1 12 LYS NZ N 3.542 10.123 1.947 1.00 . A A . 12 LYS NZ 1 1 11 2397 1 1 12 LYS O O -1.457 7.762 1.211 1.00 . A A . 12 LYS O 1 1 11 2398 1 1 13 NH2 N N 0.102 6.572 0.130 1.00 . A A . 13 NH2 N 1 1 12 2399 1 1 1 SER C C -4.545 4.297 2.026 1.00 . A A . 1 SER C 1 1 12 2400 1 1 1 SER CA C -5.569 5.415 2.175 1.00 . A A . 1 SER CA 1 1 12 2401 1 1 1 SER CB C -5.988 5.934 0.797 1.00 . A A . 1 SER CB 1 1 12 2402 1 1 1 SER H1 H -5.819 7.082 3.355 1.00 . A A . 1 SER H1 1 1 12 2403 1 1 1 SER H2 H -4.453 7.139 2.318 1.00 . A A . 1 SER H2 1 1 12 2404 1 1 1 SER H3 H -4.428 6.150 3.720 1.00 . A A . 1 SER H3 1 1 12 2405 1 1 1 SER HA H -6.438 5.028 2.688 1.00 . A A . 1 SER HA 1 1 12 2406 1 1 1 SER HB2 H -5.380 6.788 0.537 1.00 . A A . 1 SER HB2 1 1 12 2407 1 1 1 SER HB3 H -5.846 5.154 0.063 1.00 . A A . 1 SER HB3 1 1 12 2408 1 1 1 SER HG H -7.808 5.878 0.076 1.00 . A A . 1 SER HG 1 1 12 2409 1 1 1 SER N N -5.017 6.549 2.963 1.00 . A A . 1 SER N 1 1 12 2410 1 1 1 SER O O -3.446 4.368 2.575 1.00 . A A . 1 SER O 1 1 12 2411 1 1 1 SER OG O -7.350 6.325 0.791 1.00 . A A . 1 SER OG 1 1 12 2412 1 1 2 TRP C C -3.527 2.090 -0.371 1.00 . A A . 2 TRP C 1 1 12 2413 1 1 2 TRP CA C -4.041 2.121 1.063 1.00 . A A . 2 TRP CA 1 1 12 2414 1 1 2 TRP CB C -4.786 0.826 1.375 1.00 . A A . 2 TRP CB 1 1 12 2415 1 1 2 TRP CD1 C -6.005 0.521 3.611 1.00 . A A . 2 TRP CD1 1 1 12 2416 1 1 2 TRP CD2 C -3.784 0.333 3.714 1.00 . A A . 2 TRP CD2 1 1 12 2417 1 1 2 TRP CE2 C -4.303 0.140 5.005 1.00 . A A . 2 TRP CE2 1 1 12 2418 1 1 2 TRP CE3 C -2.409 0.265 3.518 1.00 . A A . 2 TRP CE3 1 1 12 2419 1 1 2 TRP CG C -4.880 0.565 2.840 1.00 . A A . 2 TRP CG 1 1 12 2420 1 1 2 TRP CH2 C -2.133 -0.175 5.880 1.00 . A A . 2 TRP CH2 1 1 12 2421 1 1 2 TRP CZ2 C -3.483 -0.116 6.101 1.00 . A A . 2 TRP CZ2 1 1 12 2422 1 1 2 TRP CZ3 C -1.597 0.014 4.598 1.00 . A A . 2 TRP CZ3 1 1 12 2423 1 1 2 TRP H H -5.810 3.264 0.876 1.00 . A A . 2 TRP H 1 1 12 2424 1 1 2 TRP HA H -3.195 2.206 1.739 1.00 . A A . 2 TRP HA 1 1 12 2425 1 1 2 TRP HB2 H -5.784 0.880 0.972 1.00 . A A . 2 TRP HB2 1 1 12 2426 1 1 2 TRP HB3 H -4.263 -0.001 0.921 1.00 . A A . 2 TRP HB3 1 1 12 2427 1 1 2 TRP HD1 H -7.006 0.669 3.236 1.00 . A A . 2 TRP HD1 1 1 12 2428 1 1 2 TRP HE1 H -6.296 0.171 5.664 1.00 . A A . 2 TRP HE1 1 1 12 2429 1 1 2 TRP HE3 H -1.978 0.407 2.539 1.00 . A A . 2 TRP HE3 1 1 12 2430 1 1 2 TRP HH2 H -1.457 -0.369 6.700 1.00 . A A . 2 TRP HH2 1 1 12 2431 1 1 2 TRP HZ2 H -3.883 -0.264 7.094 1.00 . A A . 2 TRP HZ2 1 1 12 2432 1 1 2 TRP HZ3 H -0.532 -0.032 4.458 1.00 . A A . 2 TRP HZ3 1 1 12 2433 1 1 2 TRP N N -4.918 3.262 1.283 1.00 . A A . 2 TRP N 1 1 12 2434 1 1 2 TRP NE1 N -5.666 0.258 4.919 1.00 . A A . 2 TRP NE1 1 1 12 2435 1 1 2 TRP O O -4.300 2.187 -1.324 1.00 . A A . 2 TRP O 1 1 12 2436 1 1 3 THR C C -0.801 0.577 -1.945 1.00 . A A . 3 THR C 1 1 12 2437 1 1 3 THR CA C -1.586 1.874 -1.821 1.00 . A A . 3 THR CA 1 1 12 2438 1 1 3 THR CB C -0.662 3.074 -2.031 1.00 . A A . 3 THR CB 1 1 12 2439 1 1 3 THR CG2 C -1.380 4.403 -1.942 1.00 . A A . 3 THR CG2 1 1 12 2440 1 1 3 THR H H -1.660 1.856 0.289 1.00 . A A . 3 THR H 1 1 12 2441 1 1 3 THR HA H -2.364 1.887 -2.570 1.00 . A A . 3 THR HA 1 1 12 2442 1 1 3 THR HB H -0.215 3.005 -3.012 1.00 . A A . 3 THR HB 1 1 12 2443 1 1 3 THR HG1 H 0.012 2.896 -0.200 1.00 . A A . 3 THR HG1 1 1 12 2444 1 1 3 THR HG21 H -1.658 4.729 -2.933 1.00 . A A . 3 THR HG21 1 1 12 2445 1 1 3 THR HG22 H -0.726 5.136 -1.492 1.00 . A A . 3 THR HG22 1 1 12 2446 1 1 3 THR HG23 H -2.268 4.293 -1.337 1.00 . A A . 3 THR HG23 1 1 12 2447 1 1 3 THR N N -2.217 1.939 -0.512 1.00 . A A . 3 THR N 1 1 12 2448 1 1 3 THR O O -0.007 0.240 -1.066 1.00 . A A . 3 THR O 1 1 12 2449 1 1 3 THR OG1 O 0.378 3.082 -1.068 1.00 . A A . 3 THR OG1 1 1 12 2450 1 1 4 TRP C C 0.948 -1.201 -4.006 1.00 . A A . 4 TRP C 1 1 12 2451 1 1 4 TRP CA C -0.345 -1.421 -3.226 1.00 . A A . 4 TRP CA 1 1 12 2452 1 1 4 TRP CB C -1.300 -2.363 -3.961 1.00 . A A . 4 TRP CB 1 1 12 2453 1 1 4 TRP CD1 C 0.029 -3.615 -5.743 1.00 . A A . 4 TRP CD1 1 1 12 2454 1 1 4 TRP CD2 C -0.692 -4.898 -4.060 1.00 . A A . 4 TRP CD2 1 1 12 2455 1 1 4 TRP CE2 C 0.003 -5.712 -4.971 1.00 . A A . 4 TRP CE2 1 1 12 2456 1 1 4 TRP CE3 C -1.238 -5.478 -2.915 1.00 . A A . 4 TRP CE3 1 1 12 2457 1 1 4 TRP CG C -0.664 -3.566 -4.574 1.00 . A A . 4 TRP CG 1 1 12 2458 1 1 4 TRP CH2 C -0.386 -7.625 -3.641 1.00 . A A . 4 TRP CH2 1 1 12 2459 1 1 4 TRP CZ2 C 0.161 -7.082 -4.771 1.00 . A A . 4 TRP CZ2 1 1 12 2460 1 1 4 TRP CZ3 C -1.079 -6.836 -2.716 1.00 . A A . 4 TRP CZ3 1 1 12 2461 1 1 4 TRP H H -1.677 0.145 -3.693 1.00 . A A . 4 TRP H 1 1 12 2462 1 1 4 TRP HA H -0.109 -1.836 -2.259 1.00 . A A . 4 TRP HA 1 1 12 2463 1 1 4 TRP HB2 H -2.047 -2.711 -3.265 1.00 . A A . 4 TRP HB2 1 1 12 2464 1 1 4 TRP HB3 H -1.791 -1.811 -4.751 1.00 . A A . 4 TRP HB3 1 1 12 2465 1 1 4 TRP HD1 H 0.219 -2.755 -6.369 1.00 . A A . 4 TRP HD1 1 1 12 2466 1 1 4 TRP HE1 H 0.948 -5.199 -6.776 1.00 . A A . 4 TRP HE1 1 1 12 2467 1 1 4 TRP HE3 H -1.771 -4.882 -2.190 1.00 . A A . 4 TRP HE3 1 1 12 2468 1 1 4 TRP HH2 H -0.286 -8.683 -3.446 1.00 . A A . 4 TRP HH2 1 1 12 2469 1 1 4 TRP HZ2 H 0.692 -7.705 -5.476 1.00 . A A . 4 TRP HZ2 1 1 12 2470 1 1 4 TRP HZ3 H -1.497 -7.303 -1.836 1.00 . A A . 4 TRP HZ3 1 1 12 2471 1 1 4 TRP N N -1.030 -0.159 -3.024 1.00 . A A . 4 TRP N 1 1 12 2472 1 1 4 TRP NE1 N 0.434 -4.905 -5.995 1.00 . A A . 4 TRP NE1 1 1 12 2473 1 1 4 TRP O O 0.948 -0.587 -5.073 1.00 . A A . 4 TRP O 1 1 12 2474 1 1 5 GLU C C 4.219 -2.797 -3.900 1.00 . A A . 5 GLU C 1 1 12 2475 1 1 5 GLU CA C 3.358 -1.551 -4.084 1.00 . A A . 5 GLU CA 1 1 12 2476 1 1 5 GLU CB C 4.083 -0.332 -3.510 1.00 . A A . 5 GLU CB 1 1 12 2477 1 1 5 GLU CD C 4.679 1.933 -4.457 1.00 . A A . 5 GLU CD 1 1 12 2478 1 1 5 GLU CG C 4.892 0.434 -4.544 1.00 . A A . 5 GLU CG 1 1 12 2479 1 1 5 GLU H H 1.981 -2.173 -2.598 1.00 . A A . 5 GLU H 1 1 12 2480 1 1 5 GLU HA H 3.198 -1.394 -5.139 1.00 . A A . 5 GLU HA 1 1 12 2481 1 1 5 GLU HB2 H 3.350 0.341 -3.086 1.00 . A A . 5 GLU HB2 1 1 12 2482 1 1 5 GLU HB3 H 4.756 -0.662 -2.729 1.00 . A A . 5 GLU HB3 1 1 12 2483 1 1 5 GLU HG2 H 5.940 0.226 -4.389 1.00 . A A . 5 GLU HG2 1 1 12 2484 1 1 5 GLU HG3 H 4.601 0.101 -5.529 1.00 . A A . 5 GLU HG3 1 1 12 2485 1 1 5 GLU N N 2.050 -1.699 -3.454 1.00 . A A . 5 GLU N 1 1 12 2486 1 1 5 GLU O O 4.129 -3.481 -2.882 1.00 . A A . 5 GLU O 1 1 12 2487 1 1 5 GLU OE1 O 3.790 2.448 -5.167 1.00 . A A . 5 GLU OE1 1 1 12 2488 1 1 5 GLU OE2 O 5.400 2.591 -3.678 1.00 . A A . 5 GLU OE2 1 1 12 2489 1 1 6 ASN C C 5.276 -5.477 -4.353 1.00 . A A . 6 ASN C 1 1 12 2490 1 1 6 ASN CA C 5.983 -4.210 -4.825 1.00 . A A . 6 ASN CA 1 1 12 2491 1 1 6 ASN CB C 7.161 -3.897 -3.899 1.00 . A A . 6 ASN CB 1 1 12 2492 1 1 6 ASN CG C 8.486 -4.355 -4.476 1.00 . A A . 6 ASN CG 1 1 12 2493 1 1 6 ASN H H 5.110 -2.469 -5.657 1.00 . A A . 6 ASN H 1 1 12 2494 1 1 6 ASN HA H 6.361 -4.377 -5.822 1.00 . A A . 6 ASN HA 1 1 12 2495 1 1 6 ASN HB2 H 7.211 -2.828 -3.739 1.00 . A A . 6 ASN HB2 1 1 12 2496 1 1 6 ASN HB3 H 7.009 -4.396 -2.951 1.00 . A A . 6 ASN HB3 1 1 12 2497 1 1 6 ASN HD21 H 7.651 -6.038 -5.126 1.00 . A A . 6 ASN HD21 1 1 12 2498 1 1 6 ASN HD22 H 9.335 -5.856 -5.466 1.00 . A A . 6 ASN HD22 1 1 12 2499 1 1 6 ASN N N 5.073 -3.067 -4.881 1.00 . A A . 6 ASN N 1 1 12 2500 1 1 6 ASN ND2 N 8.491 -5.536 -5.084 1.00 . A A . 6 ASN ND2 1 1 12 2501 1 1 6 ASN O O 5.862 -6.298 -3.646 1.00 . A A . 6 ASN O 1 1 12 2502 1 1 6 ASN OD1 O 9.495 -3.656 -4.377 1.00 . A A . 6 ASN OD1 1 1 12 2503 1 1 7 GLY C C 2.783 -6.785 -2.932 1.00 . A A . 7 GLY C 1 1 12 2504 1 1 7 GLY CA C 3.273 -6.819 -4.372 1.00 . A A . 7 GLY CA 1 1 12 2505 1 1 7 GLY H H 3.608 -4.959 -5.326 1.00 . A A . 7 GLY H 1 1 12 2506 1 1 7 GLY HA2 H 2.426 -6.913 -5.027 1.00 . A A . 7 GLY HA2 1 1 12 2507 1 1 7 GLY HA3 H 3.906 -7.685 -4.501 1.00 . A A . 7 GLY HA3 1 1 12 2508 1 1 7 GLY N N 4.023 -5.639 -4.756 1.00 . A A . 7 GLY N 1 1 12 2509 1 1 7 GLY O O 2.478 -7.830 -2.358 1.00 . A A . 7 GLY O 1 1 12 2510 1 1 8 LYS C C 1.414 -4.206 -0.746 1.00 . A A . 8 LYS C 1 1 12 2511 1 1 8 LYS CA C 2.253 -5.467 -0.954 1.00 . A A . 8 LYS CA 1 1 12 2512 1 1 8 LYS CB C 3.450 -5.467 0.002 1.00 . A A . 8 LYS CB 1 1 12 2513 1 1 8 LYS CD C 4.211 -3.506 1.389 1.00 . A A . 8 LYS CD 1 1 12 2514 1 1 8 LYS CE C 4.785 -4.424 2.456 1.00 . A A . 8 LYS CE 1 1 12 2515 1 1 8 LYS CG C 4.233 -4.161 0.015 1.00 . A A . 8 LYS CG 1 1 12 2516 1 1 8 LYS H H 2.966 -4.790 -2.837 1.00 . A A . 8 LYS H 1 1 12 2517 1 1 8 LYS HA H 1.637 -6.327 -0.735 1.00 . A A . 8 LYS HA 1 1 12 2518 1 1 8 LYS HB2 H 3.093 -5.658 1.003 1.00 . A A . 8 LYS HB2 1 1 12 2519 1 1 8 LYS HB3 H 4.123 -6.261 -0.286 1.00 . A A . 8 LYS HB3 1 1 12 2520 1 1 8 LYS HD2 H 4.798 -2.601 1.354 1.00 . A A . 8 LYS HD2 1 1 12 2521 1 1 8 LYS HD3 H 3.189 -3.265 1.645 1.00 . A A . 8 LYS HD3 1 1 12 2522 1 1 8 LYS HE2 H 4.944 -3.852 3.358 1.00 . A A . 8 LYS HE2 1 1 12 2523 1 1 8 LYS HE3 H 4.074 -5.214 2.653 1.00 . A A . 8 LYS HE3 1 1 12 2524 1 1 8 LYS HG2 H 5.257 -4.364 -0.258 1.00 . A A . 8 LYS HG2 1 1 12 2525 1 1 8 LYS HG3 H 3.795 -3.483 -0.703 1.00 . A A . 8 LYS HG3 1 1 12 2526 1 1 8 LYS HZ1 H 5.905 -5.892 1.479 1.00 . A A . 8 LYS HZ1 1 1 12 2527 1 1 8 LYS HZ2 H 6.648 -5.275 2.867 1.00 . A A . 8 LYS HZ2 1 1 12 2528 1 1 8 LYS HZ3 H 6.613 -4.356 1.447 1.00 . A A . 8 LYS HZ3 1 1 12 2529 1 1 8 LYS N N 2.708 -5.594 -2.339 1.00 . A A . 8 LYS N 1 1 12 2530 1 1 8 LYS NZ N 6.078 -5.029 2.033 1.00 . A A . 8 LYS NZ 1 1 12 2531 1 1 8 LYS O O 1.506 -3.253 -1.516 1.00 . A A . 8 LYS O 1 1 12 2532 1 1 9 TRP C C 0.450 -2.127 1.597 1.00 . A A . 9 TRP C 1 1 12 2533 1 1 9 TRP CA C -0.258 -3.073 0.629 1.00 . A A . 9 TRP CA 1 1 12 2534 1 1 9 TRP CB C -1.570 -3.565 1.248 1.00 . A A . 9 TRP CB 1 1 12 2535 1 1 9 TRP CD1 C -3.027 -5.160 -0.062 1.00 . A A . 9 TRP CD1 1 1 12 2536 1 1 9 TRP CD2 C -3.392 -3.016 -0.565 1.00 . A A . 9 TRP CD2 1 1 12 2537 1 1 9 TRP CE2 C -4.244 -3.812 -1.355 1.00 . A A . 9 TRP CE2 1 1 12 2538 1 1 9 TRP CE3 C -3.450 -1.625 -0.707 1.00 . A A . 9 TRP CE3 1 1 12 2539 1 1 9 TRP CG C -2.617 -3.911 0.245 1.00 . A A . 9 TRP CG 1 1 12 2540 1 1 9 TRP CH2 C -5.173 -1.903 -2.388 1.00 . A A . 9 TRP CH2 1 1 12 2541 1 1 9 TRP CZ2 C -5.139 -3.266 -2.272 1.00 . A A . 9 TRP CZ2 1 1 12 2542 1 1 9 TRP CZ3 C -4.340 -1.085 -1.616 1.00 . A A . 9 TRP CZ3 1 1 12 2543 1 1 9 TRP H H 0.575 -5.005 0.885 1.00 . A A . 9 TRP H 1 1 12 2544 1 1 9 TRP HA H -0.473 -2.545 -0.287 1.00 . A A . 9 TRP HA 1 1 12 2545 1 1 9 TRP HB2 H -1.371 -4.451 1.830 1.00 . A A . 9 TRP HB2 1 1 12 2546 1 1 9 TRP HB3 H -1.971 -2.813 1.891 1.00 . A A . 9 TRP HB3 1 1 12 2547 1 1 9 TRP HD1 H -2.625 -6.040 0.400 1.00 . A A . 9 TRP HD1 1 1 12 2548 1 1 9 TRP HE1 H -4.447 -5.900 -1.421 1.00 . A A . 9 TRP HE1 1 1 12 2549 1 1 9 TRP HE3 H -2.822 -0.974 -0.117 1.00 . A A . 9 TRP HE3 1 1 12 2550 1 1 9 TRP HH2 H -5.853 -1.437 -3.086 1.00 . A A . 9 TRP HH2 1 1 12 2551 1 1 9 TRP HZ2 H -5.788 -3.883 -2.875 1.00 . A A . 9 TRP HZ2 1 1 12 2552 1 1 9 TRP HZ3 H -4.398 -0.013 -1.739 1.00 . A A . 9 TRP HZ3 1 1 12 2553 1 1 9 TRP N N 0.598 -4.213 0.307 1.00 . A A . 9 TRP N 1 1 12 2554 1 1 9 TRP NE1 N -4.000 -5.121 -1.030 1.00 . A A . 9 TRP NE1 1 1 12 2555 1 1 9 TRP O O 0.920 -2.546 2.654 1.00 . A A . 9 TRP O 1 1 12 2556 1 1 10 THR C C 0.269 1.353 2.293 1.00 . A A . 10 THR C 1 1 12 2557 1 1 10 THR CA C 1.179 0.149 2.067 1.00 . A A . 10 THR CA 1 1 12 2558 1 1 10 THR CB C 2.492 0.602 1.428 1.00 . A A . 10 THR CB 1 1 12 2559 1 1 10 THR CG2 C 3.576 0.907 2.440 1.00 . A A . 10 THR CG2 1 1 12 2560 1 1 10 THR H H 0.133 -0.577 0.374 1.00 . A A . 10 THR H 1 1 12 2561 1 1 10 THR HA H 1.393 -0.308 3.022 1.00 . A A . 10 THR HA 1 1 12 2562 1 1 10 THR HB H 2.312 1.500 0.856 1.00 . A A . 10 THR HB 1 1 12 2563 1 1 10 THR HG1 H 2.935 -1.252 0.973 1.00 . A A . 10 THR HG1 1 1 12 2564 1 1 10 THR HG21 H 3.707 1.976 2.515 1.00 . A A . 10 THR HG21 1 1 12 2565 1 1 10 THR HG22 H 4.503 0.452 2.122 1.00 . A A . 10 THR HG22 1 1 12 2566 1 1 10 THR HG23 H 3.292 0.510 3.403 1.00 . A A . 10 THR HG23 1 1 12 2567 1 1 10 THR N N 0.525 -0.852 1.229 1.00 . A A . 10 THR N 1 1 12 2568 1 1 10 THR O O -0.502 1.732 1.413 1.00 . A A . 10 THR O 1 1 12 2569 1 1 10 THR OG1 O 2.991 -0.392 0.550 1.00 . A A . 10 THR OG1 1 1 12 2570 1 1 11 TRP C C 0.269 4.406 3.412 1.00 . A A . 11 TRP C 1 1 12 2571 1 1 11 TRP CA C -0.446 3.118 3.808 1.00 . A A . 11 TRP CA 1 1 12 2572 1 1 11 TRP CB C -0.769 3.137 5.304 1.00 . A A . 11 TRP CB 1 1 12 2573 1 1 11 TRP CD1 C -1.174 5.480 6.256 1.00 . A A . 11 TRP CD1 1 1 12 2574 1 1 11 TRP CD2 C -3.039 4.410 5.628 1.00 . A A . 11 TRP CD2 1 1 12 2575 1 1 11 TRP CE2 C -3.395 5.677 6.130 1.00 . A A . 11 TRP CE2 1 1 12 2576 1 1 11 TRP CE3 C -4.051 3.559 5.171 1.00 . A A . 11 TRP CE3 1 1 12 2577 1 1 11 TRP CG C -1.612 4.305 5.717 1.00 . A A . 11 TRP CG 1 1 12 2578 1 1 11 TRP CH2 C -5.685 5.258 5.736 1.00 . A A . 11 TRP CH2 1 1 12 2579 1 1 11 TRP CZ2 C -4.717 6.111 6.189 1.00 . A A . 11 TRP CZ2 1 1 12 2580 1 1 11 TRP CZ3 C -5.363 3.992 5.231 1.00 . A A . 11 TRP CZ3 1 1 12 2581 1 1 11 TRP H H 1.003 1.610 4.136 1.00 . A A . 11 TRP H 1 1 12 2582 1 1 11 TRP HA H -1.369 3.048 3.250 1.00 . A A . 11 TRP HA 1 1 12 2583 1 1 11 TRP HB2 H -1.304 2.234 5.562 1.00 . A A . 11 TRP HB2 1 1 12 2584 1 1 11 TRP HB3 H 0.157 3.178 5.864 1.00 . A A . 11 TRP HB3 1 1 12 2585 1 1 11 TRP HD1 H -0.137 5.710 6.452 1.00 . A A . 11 TRP HD1 1 1 12 2586 1 1 11 TRP HE1 H -2.181 7.209 6.893 1.00 . A A . 11 TRP HE1 1 1 12 2587 1 1 11 TRP HE3 H -3.824 2.579 4.778 1.00 . A A . 11 TRP HE3 1 1 12 2588 1 1 11 TRP HH2 H -6.723 5.554 5.764 1.00 . A A . 11 TRP HH2 1 1 12 2589 1 1 11 TRP HZ2 H -4.982 7.084 6.575 1.00 . A A . 11 TRP HZ2 1 1 12 2590 1 1 11 TRP HZ3 H -6.157 3.348 4.883 1.00 . A A . 11 TRP HZ3 1 1 12 2591 1 1 11 TRP N N 0.367 1.954 3.475 1.00 . A A . 11 TRP N 1 1 12 2592 1 1 11 TRP NE1 N -2.239 6.310 6.507 1.00 . A A . 11 TRP NE1 1 1 12 2593 1 1 11 TRP O O 1.166 4.871 4.116 1.00 . A A . 11 TRP O 1 1 12 2594 1 1 12 LYS C C -0.297 6.749 0.589 1.00 . A A . 12 LYS C 1 1 12 2595 1 1 12 LYS CA C 0.470 6.209 1.792 1.00 . A A . 12 LYS CA 1 1 12 2596 1 1 12 LYS CB C 1.934 5.968 1.415 1.00 . A A . 12 LYS CB 1 1 12 2597 1 1 12 LYS CD C 4.317 6.661 1.804 1.00 . A A . 12 LYS CD 1 1 12 2598 1 1 12 LYS CE C 5.245 7.787 2.229 1.00 . A A . 12 LYS CE 1 1 12 2599 1 1 12 LYS CG C 2.862 7.100 1.825 1.00 . A A . 12 LYS CG 1 1 12 2600 1 1 12 LYS H H -0.852 4.557 1.764 1.00 . A A . 12 LYS H 1 1 12 2601 1 1 12 LYS HA H 0.428 6.938 2.588 1.00 . A A . 12 LYS HA 1 1 12 2602 1 1 12 LYS HB2 H 2.272 5.062 1.896 1.00 . A A . 12 LYS HB2 1 1 12 2603 1 1 12 LYS HB3 H 2.003 5.844 0.344 1.00 . A A . 12 LYS HB3 1 1 12 2604 1 1 12 LYS HD2 H 4.443 5.830 2.482 1.00 . A A . 12 LYS HD2 1 1 12 2605 1 1 12 LYS HD3 H 4.576 6.352 0.801 1.00 . A A . 12 LYS HD3 1 1 12 2606 1 1 12 LYS HE2 H 5.580 8.313 1.348 1.00 . A A . 12 LYS HE2 1 1 12 2607 1 1 12 LYS HE3 H 4.697 8.466 2.866 1.00 . A A . 12 LYS HE3 1 1 12 2608 1 1 12 LYS HG2 H 2.735 7.923 1.138 1.00 . A A . 12 LYS HG2 1 1 12 2609 1 1 12 LYS HG3 H 2.606 7.419 2.825 1.00 . A A . 12 LYS HG3 1 1 12 2610 1 1 12 LYS HZ1 H 6.156 6.985 3.929 1.00 . A A . 12 LYS HZ1 1 1 12 2611 1 1 12 LYS HZ2 H 7.155 8.023 3.043 1.00 . A A . 12 LYS HZ2 1 1 12 2612 1 1 12 LYS HZ3 H 6.841 6.462 2.473 1.00 . A A . 12 LYS HZ3 1 1 12 2613 1 1 12 LYS N N -0.133 4.976 2.282 1.00 . A A . 12 LYS N 1 1 12 2614 1 1 12 LYS NZ N 6.432 7.279 2.970 1.00 . A A . 12 LYS NZ 1 1 12 2615 1 1 12 LYS O O 0.291 7.321 -0.329 1.00 . A A . 12 LYS O 1 1 12 2616 1 1 13 NH2 N N -1.622 6.677 0.640 1.00 . A A . 13 NH2 N 1 1 13 2617 1 1 1 SER C C -4.643 4.001 1.788 1.00 . A A . 1 SER C 1 1 13 2618 1 1 1 SER CA C -5.706 5.090 1.861 1.00 . A A . 1 SER CA 1 1 13 2619 1 1 1 SER CB C -5.832 5.798 0.510 1.00 . A A . 1 SER CB 1 1 13 2620 1 1 1 SER H1 H -4.660 6.744 2.495 1.00 . A A . 1 SER H1 1 1 13 2621 1 1 1 SER H2 H -4.993 5.593 3.724 1.00 . A A . 1 SER H2 1 1 13 2622 1 1 1 SER H3 H -6.244 6.612 3.137 1.00 . A A . 1 SER H3 1 1 13 2623 1 1 1 SER HA H -6.654 4.637 2.115 1.00 . A A . 1 SER HA 1 1 13 2624 1 1 1 SER HB2 H -4.846 5.964 0.101 1.00 . A A . 1 SER HB2 1 1 13 2625 1 1 1 SER HB3 H -6.403 5.179 -0.166 1.00 . A A . 1 SER HB3 1 1 13 2626 1 1 1 SER HG H -7.303 6.930 1.136 1.00 . A A . 1 SER HG 1 1 13 2627 1 1 1 SER N N -5.371 6.101 2.898 1.00 . A A . 1 SER N 1 1 13 2628 1 1 1 SER O O -3.619 4.070 2.467 1.00 . A A . 1 SER O 1 1 13 2629 1 1 1 SER OG O -6.485 7.048 0.648 1.00 . A A . 1 SER OG 1 1 13 2630 1 1 2 TRP C C -3.291 1.923 -0.561 1.00 . A A . 2 TRP C 1 1 13 2631 1 1 2 TRP CA C -3.972 1.880 0.801 1.00 . A A . 2 TRP CA 1 1 13 2632 1 1 2 TRP CB C -4.715 0.557 0.967 1.00 . A A . 2 TRP CB 1 1 13 2633 1 1 2 TRP CD1 C -6.273 0.145 2.962 1.00 . A A . 2 TRP CD1 1 1 13 2634 1 1 2 TRP CD2 C -4.093 0.058 3.437 1.00 . A A . 2 TRP CD2 1 1 13 2635 1 1 2 TRP CE2 C -4.813 -0.187 4.619 1.00 . A A . 2 TRP CE2 1 1 13 2636 1 1 2 TRP CE3 C -2.702 0.057 3.479 1.00 . A A . 2 TRP CE3 1 1 13 2637 1 1 2 TRP CG C -5.038 0.260 2.393 1.00 . A A . 2 TRP CG 1 1 13 2638 1 1 2 TRP CH2 C -2.810 -0.422 5.847 1.00 . A A . 2 TRP CH2 1 1 13 2639 1 1 2 TRP CZ2 C -4.180 -0.430 5.835 1.00 . A A . 2 TRP CZ2 1 1 13 2640 1 1 2 TRP CZ3 C -2.074 -0.180 4.679 1.00 . A A . 2 TRP CZ3 1 1 13 2641 1 1 2 TRP H H -5.736 2.994 0.453 1.00 . A A . 2 TRP H 1 1 13 2642 1 1 2 TRP HA H -3.215 1.953 1.576 1.00 . A A . 2 TRP HA 1 1 13 2643 1 1 2 TRP HB2 H -5.636 0.590 0.408 1.00 . A A . 2 TRP HB2 1 1 13 2644 1 1 2 TRP HB3 H -4.098 -0.245 0.590 1.00 . A A . 2 TRP HB3 1 1 13 2645 1 1 2 TRP HD1 H -7.203 0.255 2.425 1.00 . A A . 2 TRP HD1 1 1 13 2646 1 1 2 TRP HE1 H -6.888 -0.263 4.932 1.00 . A A . 2 TRP HE1 1 1 13 2647 1 1 2 TRP HE3 H -2.118 0.241 2.590 1.00 . A A . 2 TRP HE3 1 1 13 2648 1 1 2 TRP HH2 H -2.275 -0.604 6.767 1.00 . A A . 2 TRP HH2 1 1 13 2649 1 1 2 TRP HZ2 H -4.735 -0.618 6.743 1.00 . A A . 2 TRP HZ2 1 1 13 2650 1 1 2 TRP HZ3 H -0.999 -0.176 4.723 1.00 . A A . 2 TRP HZ3 1 1 13 2651 1 1 2 TRP N N -4.899 2.992 0.963 1.00 . A A . 2 TRP N 1 1 13 2652 1 1 2 TRP NE1 N -6.147 -0.130 4.304 1.00 . A A . 2 TRP NE1 1 1 13 2653 1 1 2 TRP O O -3.949 2.050 -1.594 1.00 . A A . 2 TRP O 1 1 13 2654 1 1 3 THR C C -0.526 0.453 -1.980 1.00 . A A . 3 THR C 1 1 13 2655 1 1 3 THR CA C -1.193 1.807 -1.785 1.00 . A A . 3 THR CA 1 1 13 2656 1 1 3 THR CB C -0.138 2.914 -1.747 1.00 . A A . 3 THR CB 1 1 13 2657 1 1 3 THR CG2 C 0.749 2.853 -0.522 1.00 . A A . 3 THR CG2 1 1 13 2658 1 1 3 THR H H -1.507 1.691 0.301 1.00 . A A . 3 THR H 1 1 13 2659 1 1 3 THR HA H -1.869 1.988 -2.608 1.00 . A A . 3 THR HA 1 1 13 2660 1 1 3 THR HB H -0.636 3.872 -1.747 1.00 . A A . 3 THR HB 1 1 13 2661 1 1 3 THR HG1 H 0.207 3.123 -3.664 1.00 . A A . 3 THR HG1 1 1 13 2662 1 1 3 THR HG21 H 0.471 3.640 0.163 1.00 . A A . 3 THR HG21 1 1 13 2663 1 1 3 THR HG22 H 1.780 2.980 -0.818 1.00 . A A . 3 THR HG22 1 1 13 2664 1 1 3 THR HG23 H 0.629 1.895 -0.038 1.00 . A A . 3 THR HG23 1 1 13 2665 1 1 3 THR N N -1.970 1.801 -0.555 1.00 . A A . 3 THR N 1 1 13 2666 1 1 3 THR O O 0.125 -0.063 -1.072 1.00 . A A . 3 THR O 1 1 13 2667 1 1 3 THR OG1 O 0.700 2.847 -2.887 1.00 . A A . 3 THR OG1 1 1 13 2668 1 1 4 TRP C C 1.139 -1.257 -4.299 1.00 . A A . 4 TRP C 1 1 13 2669 1 1 4 TRP CA C -0.121 -1.424 -3.454 1.00 . A A . 4 TRP CA 1 1 13 2670 1 1 4 TRP CB C -1.183 -2.258 -4.173 1.00 . A A . 4 TRP CB 1 1 13 2671 1 1 4 TRP CD1 C -0.220 -3.553 -6.146 1.00 . A A . 4 TRP CD1 1 1 13 2672 1 1 4 TRP CD2 C -0.593 -4.795 -4.325 1.00 . A A . 4 TRP CD2 1 1 13 2673 1 1 4 TRP CE2 C -0.082 -5.630 -5.335 1.00 . A A . 4 TRP CE2 1 1 13 2674 1 1 4 TRP CE3 C -0.903 -5.350 -3.082 1.00 . A A . 4 TRP CE3 1 1 13 2675 1 1 4 TRP CG C -0.673 -3.477 -4.866 1.00 . A A . 4 TRP CG 1 1 13 2676 1 1 4 TRP CH2 C -0.191 -7.511 -3.909 1.00 . A A . 4 TRP CH2 1 1 13 2677 1 1 4 TRP CZ2 C 0.121 -6.993 -5.139 1.00 . A A . 4 TRP CZ2 1 1 13 2678 1 1 4 TRP CZ3 C -0.698 -6.701 -2.885 1.00 . A A . 4 TRP CZ3 1 1 13 2679 1 1 4 TRP H H -1.232 0.323 -3.847 1.00 . A A . 4 TRP H 1 1 13 2680 1 1 4 TRP HA H 0.137 -1.901 -2.521 1.00 . A A . 4 TRP HA 1 1 13 2681 1 1 4 TRP HB2 H -1.918 -2.579 -3.452 1.00 . A A . 4 TRP HB2 1 1 13 2682 1 1 4 TRP HB3 H -1.668 -1.637 -4.912 1.00 . A A . 4 TRP HB3 1 1 13 2683 1 1 4 TRP HD1 H -0.160 -2.708 -6.817 1.00 . A A . 4 TRP HD1 1 1 13 2684 1 1 4 TRP HE1 H 0.491 -5.160 -7.300 1.00 . A A . 4 TRP HE1 1 1 13 2685 1 1 4 TRP HE3 H -1.294 -4.740 -2.281 1.00 . A A . 4 TRP HE3 1 1 13 2686 1 1 4 TRP HH2 H -0.047 -8.563 -3.713 1.00 . A A . 4 TRP HH2 1 1 13 2687 1 1 4 TRP HZ2 H 0.512 -7.630 -5.919 1.00 . A A . 4 TRP HZ2 1 1 13 2688 1 1 4 TRP HZ3 H -0.928 -7.145 -1.927 1.00 . A A . 4 TRP HZ3 1 1 13 2689 1 1 4 TRP N N -0.698 -0.127 -3.160 1.00 . A A . 4 TRP N 1 1 13 2690 1 1 4 TRP NE1 N 0.137 -4.848 -6.442 1.00 . A A . 4 TRP NE1 1 1 13 2691 1 1 4 TRP O O 1.124 -0.571 -5.322 1.00 . A A . 4 TRP O 1 1 13 2692 1 1 5 GLU C C 4.288 -3.067 -4.574 1.00 . A A . 5 GLU C 1 1 13 2693 1 1 5 GLU CA C 3.503 -1.758 -4.572 1.00 . A A . 5 GLU CA 1 1 13 2694 1 1 5 GLU CB C 4.356 -0.647 -3.957 1.00 . A A . 5 GLU CB 1 1 13 2695 1 1 5 GLU CD C 6.004 1.165 -4.574 1.00 . A A . 5 GLU CD 1 1 13 2696 1 1 5 GLU CG C 5.558 -0.265 -4.805 1.00 . A A . 5 GLU CG 1 1 13 2697 1 1 5 GLU H H 2.196 -2.389 -3.027 1.00 . A A . 5 GLU H 1 1 13 2698 1 1 5 GLU HA H 3.277 -1.492 -5.593 1.00 . A A . 5 GLU HA 1 1 13 2699 1 1 5 GLU HB2 H 3.741 0.233 -3.826 1.00 . A A . 5 GLU HB2 1 1 13 2700 1 1 5 GLU HB3 H 4.714 -0.977 -2.991 1.00 . A A . 5 GLU HB3 1 1 13 2701 1 1 5 GLU HG2 H 6.378 -0.925 -4.562 1.00 . A A . 5 GLU HG2 1 1 13 2702 1 1 5 GLU HG3 H 5.300 -0.383 -5.847 1.00 . A A . 5 GLU HG3 1 1 13 2703 1 1 5 GLU N N 2.236 -1.869 -3.856 1.00 . A A . 5 GLU N 1 1 13 2704 1 1 5 GLU O O 4.679 -3.574 -3.522 1.00 . A A . 5 GLU O 1 1 13 2705 1 1 5 GLU OE1 O 5.470 2.070 -5.251 1.00 . A A . 5 GLU OE1 1 1 13 2706 1 1 5 GLU OE2 O 6.885 1.382 -3.716 1.00 . A A . 5 GLU OE2 1 1 13 2707 1 1 6 ASN C C 4.899 -5.922 -4.978 1.00 . A A . 6 ASN C 1 1 13 2708 1 1 6 ASN CA C 5.321 -4.811 -5.940 1.00 . A A . 6 ASN CA 1 1 13 2709 1 1 6 ASN CB C 6.811 -4.515 -5.760 1.00 . A A . 6 ASN CB 1 1 13 2710 1 1 6 ASN CG C 7.686 -5.678 -6.185 1.00 . A A . 6 ASN CG 1 1 13 2711 1 1 6 ASN H H 4.226 -3.113 -6.566 1.00 . A A . 6 ASN H 1 1 13 2712 1 1 6 ASN HA H 5.162 -5.157 -6.950 1.00 . A A . 6 ASN HA 1 1 13 2713 1 1 6 ASN HB2 H 7.075 -3.653 -6.357 1.00 . A A . 6 ASN HB2 1 1 13 2714 1 1 6 ASN HB3 H 7.006 -4.303 -4.717 1.00 . A A . 6 ASN HB3 1 1 13 2715 1 1 6 ASN HD21 H 6.786 -5.741 -7.957 1.00 . A A . 6 ASN HD21 1 1 13 2716 1 1 6 ASN HD22 H 8.032 -6.910 -7.707 1.00 . A A . 6 ASN HD22 1 1 13 2717 1 1 6 ASN N N 4.545 -3.585 -5.769 1.00 . A A . 6 ASN N 1 1 13 2718 1 1 6 ASN ND2 N 7.481 -6.158 -7.406 1.00 . A A . 6 ASN ND2 1 1 13 2719 1 1 6 ASN O O 5.739 -6.695 -4.516 1.00 . A A . 6 ASN O 1 1 13 2720 1 1 6 ASN OD1 O 8.537 -6.140 -5.425 1.00 . A A . 6 ASN OD1 1 1 13 2721 1 1 7 GLY C C 2.996 -6.660 -2.359 1.00 . A A . 7 GLY C 1 1 13 2722 1 1 7 GLY CA C 3.137 -7.079 -3.812 1.00 . A A . 7 GLY CA 1 1 13 2723 1 1 7 GLY H H 2.967 -5.401 -5.102 1.00 . A A . 7 GLY H 1 1 13 2724 1 1 7 GLY HA2 H 2.182 -7.424 -4.163 1.00 . A A . 7 GLY HA2 1 1 13 2725 1 1 7 GLY HA3 H 3.836 -7.901 -3.865 1.00 . A A . 7 GLY HA3 1 1 13 2726 1 1 7 GLY N N 3.604 -6.025 -4.696 1.00 . A A . 7 GLY N 1 1 13 2727 1 1 7 GLY O O 2.994 -7.514 -1.472 1.00 . A A . 7 GLY O 1 1 13 2728 1 1 8 LYS C C 1.797 -3.713 -0.586 1.00 . A A . 8 LYS C 1 1 13 2729 1 1 8 LYS CA C 2.758 -4.893 -0.718 1.00 . A A . 8 LYS CA 1 1 13 2730 1 1 8 LYS CB C 4.131 -4.504 -0.165 1.00 . A A . 8 LYS CB 1 1 13 2731 1 1 8 LYS CD C 4.590 -6.442 1.366 1.00 . A A . 8 LYS CD 1 1 13 2732 1 1 8 LYS CE C 4.897 -5.652 2.627 1.00 . A A . 8 LYS CE 1 1 13 2733 1 1 8 LYS CG C 5.032 -5.694 0.119 1.00 . A A . 8 LYS CG 1 1 13 2734 1 1 8 LYS H H 2.899 -4.712 -2.831 1.00 . A A . 8 LYS H 1 1 13 2735 1 1 8 LYS HA H 2.373 -5.714 -0.132 1.00 . A A . 8 LYS HA 1 1 13 2736 1 1 8 LYS HB2 H 4.627 -3.867 -0.883 1.00 . A A . 8 LYS HB2 1 1 13 2737 1 1 8 LYS HB3 H 3.993 -3.956 0.755 1.00 . A A . 8 LYS HB3 1 1 13 2738 1 1 8 LYS HD2 H 3.526 -6.616 1.312 1.00 . A A . 8 LYS HD2 1 1 13 2739 1 1 8 LYS HD3 H 5.110 -7.389 1.409 1.00 . A A . 8 LYS HD3 1 1 13 2740 1 1 8 LYS HE2 H 5.965 -5.503 2.693 1.00 . A A . 8 LYS HE2 1 1 13 2741 1 1 8 LYS HE3 H 4.404 -4.693 2.565 1.00 . A A . 8 LYS HE3 1 1 13 2742 1 1 8 LYS HG2 H 4.998 -6.368 -0.724 1.00 . A A . 8 LYS HG2 1 1 13 2743 1 1 8 LYS HG3 H 6.043 -5.341 0.260 1.00 . A A . 8 LYS HG3 1 1 13 2744 1 1 8 LYS HZ1 H 4.585 -5.762 4.690 1.00 . A A . 8 LYS HZ1 1 1 13 2745 1 1 8 LYS HZ2 H 4.956 -7.248 3.974 1.00 . A A . 8 LYS HZ2 1 1 13 2746 1 1 8 LYS HZ3 H 3.417 -6.576 3.776 1.00 . A A . 8 LYS HZ3 1 1 13 2747 1 1 8 LYS N N 2.887 -5.361 -2.096 1.00 . A A . 8 LYS N 1 1 13 2748 1 1 8 LYS NZ N 4.431 -6.359 3.852 1.00 . A A . 8 LYS NZ 1 1 13 2749 1 1 8 LYS O O 1.888 -2.732 -1.323 1.00 . A A . 8 LYS O 1 1 13 2750 1 1 9 TRP C C 0.443 -1.825 1.738 1.00 . A A . 9 TRP C 1 1 13 2751 1 1 9 TRP CA C -0.090 -2.765 0.656 1.00 . A A . 9 TRP CA 1 1 13 2752 1 1 9 TRP CB C -1.413 -3.384 1.118 1.00 . A A . 9 TRP CB 1 1 13 2753 1 1 9 TRP CD1 C -2.697 -5.056 -0.284 1.00 . A A . 9 TRP CD1 1 1 13 2754 1 1 9 TRP CD2 C -2.967 -2.943 -0.953 1.00 . A A . 9 TRP CD2 1 1 13 2755 1 1 9 TRP CE2 C -3.713 -3.780 -1.805 1.00 . A A . 9 TRP CE2 1 1 13 2756 1 1 9 TRP CE3 C -2.988 -1.562 -1.180 1.00 . A A . 9 TRP CE3 1 1 13 2757 1 1 9 TRP CG C -2.317 -3.790 0.004 1.00 . A A . 9 TRP CG 1 1 13 2758 1 1 9 TRP CH2 C -4.473 -1.931 -3.061 1.00 . A A . 9 TRP CH2 1 1 13 2759 1 1 9 TRP CZ2 C -4.470 -3.285 -2.863 1.00 . A A . 9 TRP CZ2 1 1 13 2760 1 1 9 TRP CZ3 C -3.742 -1.072 -2.231 1.00 . A A . 9 TRP CZ3 1 1 13 2761 1 1 9 TRP H H 0.882 -4.624 0.941 1.00 . A A . 9 TRP H 1 1 13 2762 1 1 9 TRP HA H -0.252 -2.207 -0.254 1.00 . A A . 9 TRP HA 1 1 13 2763 1 1 9 TRP HB2 H -1.199 -4.266 1.701 1.00 . A A . 9 TRP HB2 1 1 13 2764 1 1 9 TRP HB3 H -1.943 -2.684 1.732 1.00 . A A . 9 TRP HB3 1 1 13 2765 1 1 9 TRP HD1 H -2.372 -5.914 0.275 1.00 . A A . 9 TRP HD1 1 1 13 2766 1 1 9 TRP HE1 H -3.929 -5.868 -1.779 1.00 . A A . 9 TRP HE1 1 1 13 2767 1 1 9 TRP HE3 H -2.437 -0.882 -0.549 1.00 . A A . 9 TRP HE3 1 1 13 2768 1 1 9 TRP HH2 H -5.047 -1.504 -3.869 1.00 . A A . 9 TRP HH2 1 1 13 2769 1 1 9 TRP HZ2 H -5.040 -3.934 -3.512 1.00 . A A . 9 TRP HZ2 1 1 13 2770 1 1 9 TRP HZ3 H -3.771 -0.010 -2.421 1.00 . A A . 9 TRP HZ3 1 1 13 2771 1 1 9 TRP N N 0.887 -3.818 0.383 1.00 . A A . 9 TRP N 1 1 13 2772 1 1 9 TRP NE1 N -3.530 -5.069 -1.376 1.00 . A A . 9 TRP NE1 1 1 13 2773 1 1 9 TRP O O 0.837 -2.273 2.815 1.00 . A A . 9 TRP O 1 1 13 2774 1 1 10 THR C C -0.055 1.583 2.620 1.00 . A A . 10 THR C 1 1 13 2775 1 1 10 THR CA C 0.954 0.457 2.411 1.00 . A A . 10 THR CA 1 1 13 2776 1 1 10 THR CB C 2.291 1.034 1.939 1.00 . A A . 10 THR CB 1 1 13 2777 1 1 10 THR CG2 C 3.483 0.456 2.672 1.00 . A A . 10 THR CG2 1 1 13 2778 1 1 10 THR H H 0.137 -0.225 0.577 1.00 . A A . 10 THR H 1 1 13 2779 1 1 10 THR HA H 1.106 -0.049 3.353 1.00 . A A . 10 THR HA 1 1 13 2780 1 1 10 THR HB H 2.290 2.103 2.102 1.00 . A A . 10 THR HB 1 1 13 2781 1 1 10 THR HG1 H 2.529 -0.150 0.398 1.00 . A A . 10 THR HG1 1 1 13 2782 1 1 10 THR HG21 H 3.275 0.429 3.732 1.00 . A A . 10 THR HG21 1 1 13 2783 1 1 10 THR HG22 H 4.351 1.073 2.491 1.00 . A A . 10 THR HG22 1 1 13 2784 1 1 10 THR HG23 H 3.673 -0.546 2.316 1.00 . A A . 10 THR HG23 1 1 13 2785 1 1 10 THR N N 0.460 -0.527 1.451 1.00 . A A . 10 THR N 1 1 13 2786 1 1 10 THR O O -0.776 1.962 1.700 1.00 . A A . 10 THR O 1 1 13 2787 1 1 10 THR OG1 O 2.482 0.795 0.556 1.00 . A A . 10 THR OG1 1 1 13 2788 1 1 11 TRP C C -0.327 4.556 4.036 1.00 . A A . 11 TRP C 1 1 13 2789 1 1 11 TRP CA C -1.018 3.202 4.162 1.00 . A A . 11 TRP CA 1 1 13 2790 1 1 11 TRP CB C -1.569 3.030 5.580 1.00 . A A . 11 TRP CB 1 1 13 2791 1 1 11 TRP CD1 C -2.352 5.206 6.682 1.00 . A A . 11 TRP CD1 1 1 13 2792 1 1 11 TRP CD2 C -3.973 4.077 5.627 1.00 . A A . 11 TRP CD2 1 1 13 2793 1 1 11 TRP CE2 C -4.529 5.243 6.186 1.00 . A A . 11 TRP CE2 1 1 13 2794 1 1 11 TRP CE3 C -4.806 3.209 4.914 1.00 . A A . 11 TRP CE3 1 1 13 2795 1 1 11 TRP CG C -2.578 4.072 5.956 1.00 . A A . 11 TRP CG 1 1 13 2796 1 1 11 TRP CH2 C -6.669 4.696 5.351 1.00 . A A . 11 TRP CH2 1 1 13 2797 1 1 11 TRP CZ2 C -5.878 5.563 6.054 1.00 . A A . 11 TRP CZ2 1 1 13 2798 1 1 11 TRP CZ3 C -6.145 3.528 4.784 1.00 . A A . 11 TRP CZ3 1 1 13 2799 1 1 11 TRP H H 0.503 1.776 4.532 1.00 . A A . 11 TRP H 1 1 13 2800 1 1 11 TRP HA H -1.837 3.163 3.460 1.00 . A A . 11 TRP HA 1 1 13 2801 1 1 11 TRP HB2 H -2.045 2.063 5.659 1.00 . A A . 11 TRP HB2 1 1 13 2802 1 1 11 TRP HB3 H -0.751 3.086 6.286 1.00 . A A . 11 TRP HB3 1 1 13 2803 1 1 11 TRP HD1 H -1.390 5.491 7.080 1.00 . A A . 11 TRP HD1 1 1 13 2804 1 1 11 TRP HE1 H -3.615 6.765 7.305 1.00 . A A . 11 TRP HE1 1 1 13 2805 1 1 11 TRP HE3 H -4.421 2.303 4.468 1.00 . A A . 11 TRP HE3 1 1 13 2806 1 1 11 TRP HH2 H -7.721 4.904 5.225 1.00 . A A . 11 TRP HH2 1 1 13 2807 1 1 11 TRP HZ2 H -6.298 6.460 6.485 1.00 . A A . 11 TRP HZ2 1 1 13 2808 1 1 11 TRP HZ3 H -6.804 2.869 4.237 1.00 . A A . 11 TRP HZ3 1 1 13 2809 1 1 11 TRP N N -0.099 2.117 3.837 1.00 . A A . 11 TRP N 1 1 13 2810 1 1 11 TRP NE1 N -3.520 5.916 6.825 1.00 . A A . 11 TRP NE1 1 1 13 2811 1 1 11 TRP O O 0.415 4.971 4.927 1.00 . A A . 11 TRP O 1 1 13 2812 1 1 12 LYS C C -0.474 7.141 1.368 1.00 . A A . 12 LYS C 1 1 13 2813 1 1 12 LYS CA C 0.025 6.548 2.682 1.00 . A A . 12 LYS CA 1 1 13 2814 1 1 12 LYS CB C 1.551 6.437 2.658 1.00 . A A . 12 LYS CB 1 1 13 2815 1 1 12 LYS CD C 2.950 8.424 2.009 1.00 . A A . 12 LYS CD 1 1 13 2816 1 1 12 LYS CE C 2.833 9.932 2.165 1.00 . A A . 12 LYS CE 1 1 13 2817 1 1 12 LYS CG C 2.259 7.691 3.148 1.00 . A A . 12 LYS CG 1 1 13 2818 1 1 12 LYS H H -1.174 4.858 2.251 1.00 . A A . 12 LYS H 1 1 13 2819 1 1 12 LYS HA H -0.267 7.201 3.491 1.00 . A A . 12 LYS HA 1 1 13 2820 1 1 12 LYS HB2 H 1.849 5.612 3.288 1.00 . A A . 12 LYS HB2 1 1 13 2821 1 1 12 LYS HB3 H 1.870 6.240 1.646 1.00 . A A . 12 LYS HB3 1 1 13 2822 1 1 12 LYS HD2 H 3.995 8.154 2.000 1.00 . A A . 12 LYS HD2 1 1 13 2823 1 1 12 LYS HD3 H 2.492 8.131 1.075 1.00 . A A . 12 LYS HD3 1 1 13 2824 1 1 12 LYS HE2 H 2.670 10.161 3.208 1.00 . A A . 12 LYS HE2 1 1 13 2825 1 1 12 LYS HE3 H 3.755 10.388 1.836 1.00 . A A . 12 LYS HE3 1 1 13 2826 1 1 12 LYS HG2 H 1.533 8.350 3.599 1.00 . A A . 12 LYS HG2 1 1 13 2827 1 1 12 LYS HG3 H 2.999 7.409 3.884 1.00 . A A . 12 LYS HG3 1 1 13 2828 1 1 12 LYS HZ1 H 1.816 10.229 0.365 1.00 . A A . 12 LYS HZ1 1 1 13 2829 1 1 12 LYS HZ2 H 1.687 11.524 1.446 1.00 . A A . 12 LYS HZ2 1 1 13 2830 1 1 12 LYS HZ3 H 0.801 10.108 1.714 1.00 . A A . 12 LYS HZ3 1 1 13 2831 1 1 12 LYS N N -0.574 5.241 2.924 1.00 . A A . 12 LYS N 1 1 13 2832 1 1 12 LYS NZ N 1.705 10.487 1.367 1.00 . A A . 12 LYS NZ 1 1 13 2833 1 1 12 LYS O O -1.473 7.860 1.340 1.00 . A A . 12 LYS O 1 1 13 2834 1 1 13 NH2 N N 0.286 6.949 0.296 1.00 . A A . 13 NH2 N 1 1 14 2835 1 1 1 SER C C -4.611 4.036 1.832 1.00 . A A . 1 SER C 1 1 14 2836 1 1 1 SER CA C -5.671 5.127 1.920 1.00 . A A . 1 SER CA 1 1 14 2837 1 1 1 SER CB C -5.846 5.805 0.559 1.00 . A A . 1 SER CB 1 1 14 2838 1 1 1 SER H1 H -6.163 6.674 3.184 1.00 . A A . 1 SER H1 1 1 14 2839 1 1 1 SER H2 H -4.603 6.796 2.477 1.00 . A A . 1 SER H2 1 1 14 2840 1 1 1 SER H3 H -4.889 5.672 3.742 1.00 . A A . 1 SER H3 1 1 14 2841 1 1 1 SER HA H -6.609 4.680 2.218 1.00 . A A . 1 SER HA 1 1 14 2842 1 1 1 SER HB2 H -5.564 5.116 -0.223 1.00 . A A . 1 SER HB2 1 1 14 2843 1 1 1 SER HB3 H -6.880 6.091 0.432 1.00 . A A . 1 SER HB3 1 1 14 2844 1 1 1 SER HG H -5.186 7.387 -0.390 1.00 . A A . 1 SER HG 1 1 14 2845 1 1 1 SER N N -5.298 6.160 2.921 1.00 . A A . 1 SER N 1 1 14 2846 1 1 1 SER O O -3.582 4.098 2.503 1.00 . A A . 1 SER O 1 1 14 2847 1 1 1 SER OG O -5.036 6.964 0.459 1.00 . A A . 1 SER OG 1 1 14 2848 1 1 2 TRP C C -3.285 1.966 -0.539 1.00 . A A . 2 TRP C 1 1 14 2849 1 1 2 TRP CA C -3.955 1.918 0.828 1.00 . A A . 2 TRP CA 1 1 14 2850 1 1 2 TRP CB C -4.703 0.597 0.992 1.00 . A A . 2 TRP CB 1 1 14 2851 1 1 2 TRP CD1 C -6.240 0.176 3.001 1.00 . A A . 2 TRP CD1 1 1 14 2852 1 1 2 TRP CD2 C -4.055 0.083 3.454 1.00 . A A . 2 TRP CD2 1 1 14 2853 1 1 2 TRP CE2 C -4.764 -0.168 4.641 1.00 . A A . 2 TRP CE2 1 1 14 2854 1 1 2 TRP CE3 C -2.664 0.081 3.483 1.00 . A A . 2 TRP CE3 1 1 14 2855 1 1 2 TRP CG C -5.011 0.292 2.421 1.00 . A A . 2 TRP CG 1 1 14 2856 1 1 2 TRP CH2 C -2.750 -0.413 5.849 1.00 . A A . 2 TRP CH2 1 1 14 2857 1 1 2 TRP CZ2 C -4.120 -0.420 5.850 1.00 . A A . 2 TRP CZ2 1 1 14 2858 1 1 2 TRP CZ3 C -2.025 -0.165 4.675 1.00 . A A . 2 TRP CZ3 1 1 14 2859 1 1 2 TRP H H -5.718 3.040 0.501 1.00 . A A . 2 TRP H 1 1 14 2860 1 1 2 TRP HA H -3.193 1.984 1.598 1.00 . A A . 2 TRP HA 1 1 14 2861 1 1 2 TRP HB2 H -5.630 0.640 0.445 1.00 . A A . 2 TRP HB2 1 1 14 2862 1 1 2 TRP HB3 H -4.094 -0.205 0.602 1.00 . A A . 2 TRP HB3 1 1 14 2863 1 1 2 TRP HD1 H -7.175 0.291 2.475 1.00 . A A . 2 TRP HD1 1 1 14 2864 1 1 2 TRP HE1 H -6.836 -0.243 4.974 1.00 . A A . 2 TRP HE1 1 1 14 2865 1 1 2 TRP HE3 H -2.087 0.270 2.589 1.00 . A A . 2 TRP HE3 1 1 14 2866 1 1 2 TRP HH2 H -2.206 -0.601 6.763 1.00 . A A . 2 TRP HH2 1 1 14 2867 1 1 2 TRP HZ2 H -4.666 -0.613 6.761 1.00 . A A . 2 TRP HZ2 1 1 14 2868 1 1 2 TRP HZ3 H -0.949 -0.162 4.710 1.00 . A A . 2 TRP HZ3 1 1 14 2869 1 1 2 TRP N N -4.877 3.033 1.004 1.00 . A A . 2 TRP N 1 1 14 2870 1 1 2 TRP NE1 N -6.101 -0.108 4.340 1.00 . A A . 2 TRP NE1 1 1 14 2871 1 1 2 TRP O O -3.950 2.110 -1.565 1.00 . A A . 2 TRP O 1 1 14 2872 1 1 3 THR C C -0.529 0.488 -1.983 1.00 . A A . 3 THR C 1 1 14 2873 1 1 3 THR CA C -1.198 1.840 -1.780 1.00 . A A . 3 THR CA 1 1 14 2874 1 1 3 THR CB C -0.145 2.949 -1.748 1.00 . A A . 3 THR CB 1 1 14 2875 1 1 3 THR CG2 C -0.713 4.304 -1.388 1.00 . A A . 3 THR CG2 1 1 14 2876 1 1 3 THR H H -1.497 1.709 0.307 1.00 . A A . 3 THR H 1 1 14 2877 1 1 3 THR HA H -1.881 2.021 -2.598 1.00 . A A . 3 THR HA 1 1 14 2878 1 1 3 THR HB H 0.308 3.030 -2.726 1.00 . A A . 3 THR HB 1 1 14 2879 1 1 3 THR HG1 H 1.643 2.307 -1.272 1.00 . A A . 3 THR HG1 1 1 14 2880 1 1 3 THR HG21 H -0.585 4.478 -0.329 1.00 . A A . 3 THR HG21 1 1 14 2881 1 1 3 THR HG22 H -1.765 4.330 -1.632 1.00 . A A . 3 THR HG22 1 1 14 2882 1 1 3 THR HG23 H -0.196 5.071 -1.944 1.00 . A A . 3 THR HG23 1 1 14 2883 1 1 3 THR N N -1.966 1.830 -0.544 1.00 . A A . 3 THR N 1 1 14 2884 1 1 3 THR O O 0.131 -0.028 -1.082 1.00 . A A . 3 THR O 1 1 14 2885 1 1 3 THR OG1 O 0.873 2.646 -0.811 1.00 . A A . 3 THR OG1 1 1 14 2886 1 1 4 TRP C C 1.156 -1.211 -4.266 1.00 . A A . 4 TRP C 1 1 14 2887 1 1 4 TRP CA C -0.130 -1.387 -3.462 1.00 . A A . 4 TRP CA 1 1 14 2888 1 1 4 TRP CB C -1.173 -2.205 -4.226 1.00 . A A . 4 TRP CB 1 1 14 2889 1 1 4 TRP CD1 C -0.151 -3.461 -6.193 1.00 . A A . 4 TRP CD1 1 1 14 2890 1 1 4 TRP CD2 C -0.584 -4.740 -4.411 1.00 . A A . 4 TRP CD2 1 1 14 2891 1 1 4 TRP CE2 C -0.043 -5.554 -5.422 1.00 . A A . 4 TRP CE2 1 1 14 2892 1 1 4 TRP CE3 C -0.934 -5.320 -3.190 1.00 . A A . 4 TRP CE3 1 1 14 2893 1 1 4 TRP CG C -0.644 -3.410 -4.927 1.00 . A A . 4 TRP CG 1 1 14 2894 1 1 4 TRP CH2 C -0.199 -7.464 -4.040 1.00 . A A . 4 TRP CH2 1 1 14 2895 1 1 4 TRP CZ2 C 0.153 -6.921 -5.248 1.00 . A A . 4 TRP CZ2 1 1 14 2896 1 1 4 TRP CZ3 C -0.737 -6.675 -3.016 1.00 . A A . 4 TRP CZ3 1 1 14 2897 1 1 4 TRP H H -1.250 0.357 -3.845 1.00 . A A . 4 TRP H 1 1 14 2898 1 1 4 TRP HA H 0.099 -1.880 -2.530 1.00 . A A . 4 TRP HA 1 1 14 2899 1 1 4 TRP HB2 H -1.928 -2.538 -3.532 1.00 . A A . 4 TRP HB2 1 1 14 2900 1 1 4 TRP HB3 H -1.637 -1.568 -4.966 1.00 . A A . 4 TRP HB3 1 1 14 2901 1 1 4 TRP HD1 H -0.069 -2.603 -6.844 1.00 . A A . 4 TRP HD1 1 1 14 2902 1 1 4 TRP HE1 H 0.593 -5.045 -7.358 1.00 . A A . 4 TRP HE1 1 1 14 2903 1 1 4 TRP HE3 H -1.349 -4.727 -2.390 1.00 . A A . 4 TRP HE3 1 1 14 2904 1 1 4 TRP HH2 H -0.062 -8.521 -3.861 1.00 . A A . 4 TRP HH2 1 1 14 2905 1 1 4 TRP HZ2 H 0.567 -7.543 -6.028 1.00 . A A . 4 TRP HZ2 1 1 14 2906 1 1 4 TRP HZ3 H -0.998 -7.139 -2.075 1.00 . A A . 4 TRP HZ3 1 1 14 2907 1 1 4 TRP N N -0.709 -0.091 -3.162 1.00 . A A . 4 TRP N 1 1 14 2908 1 1 4 TRP NE1 N 0.212 -4.750 -6.504 1.00 . A A . 4 TRP NE1 1 1 14 2909 1 1 4 TRP O O 1.174 -0.505 -5.275 1.00 . A A . 4 TRP O 1 1 14 2910 1 1 5 GLU C C 4.306 -3.028 -4.487 1.00 . A A . 5 GLU C 1 1 14 2911 1 1 5 GLU CA C 3.524 -1.717 -4.480 1.00 . A A . 5 GLU CA 1 1 14 2912 1 1 5 GLU CB C 4.363 -0.622 -3.819 1.00 . A A . 5 GLU CB 1 1 14 2913 1 1 5 GLU CD C 4.999 1.378 -5.226 1.00 . A A . 5 GLU CD 1 1 14 2914 1 1 5 GLU CG C 5.397 -0.005 -4.747 1.00 . A A . 5 GLU CG 1 1 14 2915 1 1 5 GLU H H 2.171 -2.372 -2.986 1.00 . A A . 5 GLU H 1 1 14 2916 1 1 5 GLU HA H 3.329 -1.429 -5.501 1.00 . A A . 5 GLU HA 1 1 14 2917 1 1 5 GLU HB2 H 3.703 0.164 -3.477 1.00 . A A . 5 GLU HB2 1 1 14 2918 1 1 5 GLU HB3 H 4.881 -1.045 -2.968 1.00 . A A . 5 GLU HB3 1 1 14 2919 1 1 5 GLU HG2 H 6.336 0.070 -4.220 1.00 . A A . 5 GLU HG2 1 1 14 2920 1 1 5 GLU HG3 H 5.518 -0.647 -5.607 1.00 . A A . 5 GLU HG3 1 1 14 2921 1 1 5 GLU N N 2.237 -1.836 -3.803 1.00 . A A . 5 GLU N 1 1 14 2922 1 1 5 GLU O O 4.667 -3.557 -3.435 1.00 . A A . 5 GLU O 1 1 14 2923 1 1 5 GLU OE1 O 5.333 2.364 -4.536 1.00 . A A . 5 GLU OE1 1 1 14 2924 1 1 5 GLU OE2 O 4.355 1.474 -6.292 1.00 . A A . 5 GLU OE2 1 1 14 2925 1 1 6 ASN C C 4.925 -5.878 -4.937 1.00 . A A . 6 ASN C 1 1 14 2926 1 1 6 ASN CA C 5.373 -4.746 -5.862 1.00 . A A . 6 ASN CA 1 1 14 2927 1 1 6 ASN CB C 6.857 -4.456 -5.636 1.00 . A A . 6 ASN CB 1 1 14 2928 1 1 6 ASN CG C 7.754 -5.371 -6.447 1.00 . A A . 6 ASN CG 1 1 14 2929 1 1 6 ASN H H 4.299 -3.032 -6.480 1.00 . A A . 6 ASN H 1 1 14 2930 1 1 6 ASN HA H 5.240 -5.069 -6.883 1.00 . A A . 6 ASN HA 1 1 14 2931 1 1 6 ASN HB2 H 7.066 -3.434 -5.921 1.00 . A A . 6 ASN HB2 1 1 14 2932 1 1 6 ASN HB3 H 7.089 -4.592 -4.587 1.00 . A A . 6 ASN HB3 1 1 14 2933 1 1 6 ASN HD21 H 7.263 -4.411 -8.117 1.00 . A A . 6 ASN HD21 1 1 14 2934 1 1 6 ASN HD22 H 8.373 -5.721 -8.304 1.00 . A A . 6 ASN HD22 1 1 14 2935 1 1 6 ASN N N 4.595 -3.521 -5.685 1.00 . A A . 6 ASN N 1 1 14 2936 1 1 6 ASN ND2 N 7.801 -5.145 -7.755 1.00 . A A . 6 ASN ND2 1 1 14 2937 1 1 6 ASN O O 5.752 -6.664 -4.473 1.00 . A A . 6 ASN O 1 1 14 2938 1 1 6 ASN OD1 O 8.397 -6.270 -5.905 1.00 . A A . 6 ASN OD1 1 1 14 2939 1 1 7 GLY C C 2.962 -6.675 -2.383 1.00 . A A . 7 GLY C 1 1 14 2940 1 1 7 GLY CA C 3.134 -7.058 -3.843 1.00 . A A . 7 GLY CA 1 1 14 2941 1 1 7 GLY H H 2.997 -5.349 -5.095 1.00 . A A . 7 GLY H 1 1 14 2942 1 1 7 GLY HA2 H 2.186 -7.391 -4.223 1.00 . A A . 7 GLY HA2 1 1 14 2943 1 1 7 GLY HA3 H 3.831 -7.881 -3.900 1.00 . A A . 7 GLY HA3 1 1 14 2944 1 1 7 GLY N N 3.624 -5.984 -4.689 1.00 . A A . 7 GLY N 1 1 14 2945 1 1 7 GLY O O 2.936 -7.550 -1.518 1.00 . A A . 7 GLY O 1 1 14 2946 1 1 8 LYS C C 1.773 -3.736 -0.573 1.00 . A A . 8 LYS C 1 1 14 2947 1 1 8 LYS CA C 2.695 -4.948 -0.705 1.00 . A A . 8 LYS CA 1 1 14 2948 1 1 8 LYS CB C 4.063 -4.629 -0.096 1.00 . A A . 8 LYS CB 1 1 14 2949 1 1 8 LYS CD C 3.499 -5.210 2.283 1.00 . A A . 8 LYS CD 1 1 14 2950 1 1 8 LYS CE C 3.119 -6.486 3.016 1.00 . A A . 8 LYS CE 1 1 14 2951 1 1 8 LYS CG C 4.412 -5.497 1.102 1.00 . A A . 8 LYS CG 1 1 14 2952 1 1 8 LYS H H 2.884 -4.716 -2.810 1.00 . A A . 8 LYS H 1 1 14 2953 1 1 8 LYS HA H 2.258 -5.769 -0.158 1.00 . A A . 8 LYS HA 1 1 14 2954 1 1 8 LYS HB2 H 4.822 -4.773 -0.851 1.00 . A A . 8 LYS HB2 1 1 14 2955 1 1 8 LYS HB3 H 4.075 -3.596 0.219 1.00 . A A . 8 LYS HB3 1 1 14 2956 1 1 8 LYS HD2 H 4.010 -4.552 2.969 1.00 . A A . 8 LYS HD2 1 1 14 2957 1 1 8 LYS HD3 H 2.601 -4.730 1.923 1.00 . A A . 8 LYS HD3 1 1 14 2958 1 1 8 LYS HE2 H 3.995 -7.111 3.103 1.00 . A A . 8 LYS HE2 1 1 14 2959 1 1 8 LYS HE3 H 2.764 -6.227 4.003 1.00 . A A . 8 LYS HE3 1 1 14 2960 1 1 8 LYS HG2 H 4.309 -6.535 0.824 1.00 . A A . 8 LYS HG2 1 1 14 2961 1 1 8 LYS HG3 H 5.434 -5.299 1.391 1.00 . A A . 8 LYS HG3 1 1 14 2962 1 1 8 LYS HZ1 H 1.204 -6.650 2.199 1.00 . A A . 8 LYS HZ1 1 1 14 2963 1 1 8 LYS HZ2 H 1.803 -8.098 2.834 1.00 . A A . 8 LYS HZ2 1 1 14 2964 1 1 8 LYS HZ3 H 2.386 -7.519 1.356 1.00 . A A . 8 LYS HZ3 1 1 14 2965 1 1 8 LYS N N 2.853 -5.382 -2.091 1.00 . A A . 8 LYS N 1 1 14 2966 1 1 8 LYS NZ N 2.053 -7.241 2.301 1.00 . A A . 8 LYS NZ 1 1 14 2967 1 1 8 LYS O O 1.937 -2.733 -1.267 1.00 . A A . 8 LYS O 1 1 14 2968 1 1 9 TRP C C 0.414 -1.841 1.703 1.00 . A A . 9 TRP C 1 1 14 2969 1 1 9 TRP CA C -0.134 -2.761 0.612 1.00 . A A . 9 TRP CA 1 1 14 2970 1 1 9 TRP CB C -1.480 -3.343 1.054 1.00 . A A . 9 TRP CB 1 1 14 2971 1 1 9 TRP CD1 C -2.771 -4.980 -0.381 1.00 . A A . 9 TRP CD1 1 1 14 2972 1 1 9 TRP CD2 C -3.004 -2.856 -1.029 1.00 . A A . 9 TRP CD2 1 1 14 2973 1 1 9 TRP CE2 C -3.753 -3.673 -1.898 1.00 . A A . 9 TRP CE2 1 1 14 2974 1 1 9 TRP CE3 C -3.004 -1.473 -1.240 1.00 . A A . 9 TRP CE3 1 1 14 2975 1 1 9 TRP CG C -2.377 -3.723 -0.075 1.00 . A A . 9 TRP CG 1 1 14 2976 1 1 9 TRP CH2 C -4.473 -1.800 -3.141 1.00 . A A . 9 TRP CH2 1 1 14 2977 1 1 9 TRP CZ2 C -4.491 -3.155 -2.959 1.00 . A A . 9 TRP CZ2 1 1 14 2978 1 1 9 TRP CZ3 C -3.740 -0.961 -2.293 1.00 . A A . 9 TRP CZ3 1 1 14 2979 1 1 9 TRP H H 0.751 -4.666 0.872 1.00 . A A . 9 TRP H 1 1 14 2980 1 1 9 TRP HA H -0.268 -2.195 -0.298 1.00 . A A . 9 TRP HA 1 1 14 2981 1 1 9 TRP HB2 H -1.300 -4.230 1.640 1.00 . A A . 9 TRP HB2 1 1 14 2982 1 1 9 TRP HB3 H -2.000 -2.629 1.659 1.00 . A A . 9 TRP HB3 1 1 14 2983 1 1 9 TRP HD1 H -2.464 -5.848 0.172 1.00 . A A . 9 TRP HD1 1 1 14 2984 1 1 9 TRP HE1 H -3.998 -5.758 -1.898 1.00 . A A . 9 TRP HE1 1 1 14 2985 1 1 9 TRP HE3 H -2.450 -0.808 -0.595 1.00 . A A . 9 TRP HE3 1 1 14 2986 1 1 9 TRP HH2 H -5.032 -1.355 -3.951 1.00 . A A . 9 TRP HH2 1 1 14 2987 1 1 9 TRP HZ2 H -5.062 -3.789 -3.621 1.00 . A A . 9 TRP HZ2 1 1 14 2988 1 1 9 TRP HZ3 H -3.751 0.104 -2.472 1.00 . A A . 9 TRP HZ3 1 1 14 2989 1 1 9 TRP N N 0.814 -3.841 0.346 1.00 . A A . 9 TRP N 1 1 14 2990 1 1 9 TRP NE1 N -3.592 -4.969 -1.482 1.00 . A A . 9 TRP NE1 1 1 14 2991 1 1 9 TRP O O 0.783 -2.302 2.783 1.00 . A A . 9 TRP O 1 1 14 2992 1 1 10 THR C C 0.007 1.579 2.585 1.00 . A A . 10 THR C 1 1 14 2993 1 1 10 THR CA C 0.984 0.425 2.386 1.00 . A A . 10 THR CA 1 1 14 2994 1 1 10 THR CB C 2.339 0.965 1.925 1.00 . A A . 10 THR CB 1 1 14 2995 1 1 10 THR CG2 C 3.255 1.337 3.071 1.00 . A A . 10 THR CG2 1 1 14 2996 1 1 10 THR H H 0.169 -0.230 0.542 1.00 . A A . 10 THR H 1 1 14 2997 1 1 10 THR HA H 1.114 -0.086 3.328 1.00 . A A . 10 THR HA 1 1 14 2998 1 1 10 THR HB H 2.177 1.852 1.330 1.00 . A A . 10 THR HB 1 1 14 2999 1 1 10 THR HG1 H 2.518 -0.142 0.320 1.00 . A A . 10 THR HG1 1 1 14 3000 1 1 10 THR HG21 H 3.913 2.136 2.762 1.00 . A A . 10 THR HG21 1 1 14 3001 1 1 10 THR HG22 H 3.843 0.477 3.356 1.00 . A A . 10 THR HG22 1 1 14 3002 1 1 10 THR HG23 H 2.664 1.664 3.914 1.00 . A A . 10 THR HG23 1 1 14 3003 1 1 10 THR N N 0.472 -0.543 1.419 1.00 . A A . 10 THR N 1 1 14 3004 1 1 10 THR O O -0.653 2.016 1.644 1.00 . A A . 10 THR O 1 1 14 3005 1 1 10 THR OG1 O 3.015 0.010 1.127 1.00 . A A . 10 THR OG1 1 1 14 3006 1 1 11 TRP C C -0.256 4.517 3.973 1.00 . A A . 11 TRP C 1 1 14 3007 1 1 11 TRP CA C -0.972 3.181 4.135 1.00 . A A . 11 TRP CA 1 1 14 3008 1 1 11 TRP CB C -1.503 3.044 5.564 1.00 . A A . 11 TRP CB 1 1 14 3009 1 1 11 TRP CD1 C -2.251 5.257 6.615 1.00 . A A . 11 TRP CD1 1 1 14 3010 1 1 11 TRP CD2 C -3.902 4.102 5.637 1.00 . A A . 11 TRP CD2 1 1 14 3011 1 1 11 TRP CE2 C -4.440 5.287 6.172 1.00 . A A . 11 TRP CE2 1 1 14 3012 1 1 11 TRP CE3 C -4.755 3.215 4.972 1.00 . A A . 11 TRP CE3 1 1 14 3013 1 1 11 TRP CG C -2.499 4.102 5.931 1.00 . A A . 11 TRP CG 1 1 14 3014 1 1 11 TRP CH2 C -6.602 4.722 5.408 1.00 . A A . 11 TRP CH2 1 1 14 3015 1 1 11 TRP CZ2 C -5.791 5.608 6.064 1.00 . A A . 11 TRP CZ2 1 1 14 3016 1 1 11 TRP CZ3 C -6.096 3.535 4.866 1.00 . A A . 11 TRP CZ3 1 1 14 3017 1 1 11 TRP H H 0.477 1.687 4.526 1.00 . A A . 11 TRP H 1 1 14 3018 1 1 11 TRP HA H -1.802 3.144 3.446 1.00 . A A . 11 TRP HA 1 1 14 3019 1 1 11 TRP HB2 H -1.985 2.083 5.672 1.00 . A A . 11 TRP HB2 1 1 14 3020 1 1 11 TRP HB3 H -0.674 3.110 6.257 1.00 . A A . 11 TRP HB3 1 1 14 3021 1 1 11 TRP HD1 H -1.278 5.551 6.981 1.00 . A A . 11 TRP HD1 1 1 14 3022 1 1 11 TRP HE1 H -3.493 6.840 7.220 1.00 . A A . 11 TRP HE1 1 1 14 3023 1 1 11 TRP HE3 H -4.384 2.294 4.547 1.00 . A A . 11 TRP HE3 1 1 14 3024 1 1 11 TRP HH2 H -7.656 4.931 5.302 1.00 . A A . 11 TRP HH2 1 1 14 3025 1 1 11 TRP HZ2 H -6.197 6.520 6.476 1.00 . A A . 11 TRP HZ2 1 1 14 3026 1 1 11 TRP HZ3 H -6.769 2.862 4.356 1.00 . A A . 11 TRP HZ3 1 1 14 3027 1 1 11 TRP N N -0.077 2.073 3.817 1.00 . A A . 11 TRP N 1 1 14 3028 1 1 11 TRP NE1 N -3.413 5.976 6.764 1.00 . A A . 11 TRP NE1 1 1 14 3029 1 1 11 TRP O O 0.509 4.932 4.843 1.00 . A A . 11 TRP O 1 1 14 3030 1 1 12 LYS C C -0.492 7.118 1.334 1.00 . A A . 12 LYS C 1 1 14 3031 1 1 12 LYS CA C 0.116 6.474 2.576 1.00 . A A . 12 LYS CA 1 1 14 3032 1 1 12 LYS CB C 1.625 6.303 2.391 1.00 . A A . 12 LYS CB 1 1 14 3033 1 1 12 LYS CD C 3.913 7.069 3.092 1.00 . A A . 12 LYS CD 1 1 14 3034 1 1 12 LYS CE C 4.587 7.806 4.237 1.00 . A A . 12 LYS CE 1 1 14 3035 1 1 12 LYS CG C 2.444 7.441 2.978 1.00 . A A . 12 LYS CG 1 1 14 3036 1 1 12 LYS H H -1.125 4.802 2.195 1.00 . A A . 12 LYS H 1 1 14 3037 1 1 12 LYS HA H -0.063 7.117 3.425 1.00 . A A . 12 LYS HA 1 1 14 3038 1 1 12 LYS HB2 H 1.932 5.384 2.869 1.00 . A A . 12 LYS HB2 1 1 14 3039 1 1 12 LYS HB3 H 1.842 6.239 1.335 1.00 . A A . 12 LYS HB3 1 1 14 3040 1 1 12 LYS HD2 H 3.993 6.006 3.265 1.00 . A A . 12 LYS HD2 1 1 14 3041 1 1 12 LYS HD3 H 4.412 7.324 2.168 1.00 . A A . 12 LYS HD3 1 1 14 3042 1 1 12 LYS HE2 H 5.638 7.559 4.239 1.00 . A A . 12 LYS HE2 1 1 14 3043 1 1 12 LYS HE3 H 4.468 8.869 4.084 1.00 . A A . 12 LYS HE3 1 1 14 3044 1 1 12 LYS HG2 H 2.351 8.306 2.338 1.00 . A A . 12 LYS HG2 1 1 14 3045 1 1 12 LYS HG3 H 2.063 7.676 3.961 1.00 . A A . 12 LYS HG3 1 1 14 3046 1 1 12 LYS HZ1 H 3.594 6.482 5.511 1.00 . A A . 12 LYS HZ1 1 1 14 3047 1 1 12 LYS HZ2 H 3.253 8.110 5.815 1.00 . A A . 12 LYS HZ2 1 1 14 3048 1 1 12 LYS HZ3 H 4.738 7.455 6.291 1.00 . A A . 12 LYS HZ3 1 1 14 3049 1 1 12 LYS N N -0.507 5.185 2.852 1.00 . A A . 12 LYS N 1 1 14 3050 1 1 12 LYS NZ N 4.002 7.438 5.556 1.00 . A A . 12 LYS NZ 1 1 14 3051 1 1 12 LYS O O -1.336 8.007 1.434 1.00 . A A . 12 LYS O 1 1 14 3052 1 1 13 NH2 N N -0.159 6.591 0.161 1.00 . A A . 13 NH2 N 1 1 15 3053 1 1 1 SER C C -4.657 4.140 2.064 1.00 . A A . 1 SER C 1 1 15 3054 1 1 1 SER CA C -5.697 5.242 2.227 1.00 . A A . 1 SER CA 1 1 15 3055 1 1 1 SER CB C -6.111 5.786 0.858 1.00 . A A . 1 SER CB 1 1 15 3056 1 1 1 SER H1 H -5.980 6.880 3.440 1.00 . A A . 1 SER H1 1 1 15 3057 1 1 1 SER H2 H -4.604 6.975 2.419 1.00 . A A . 1 SER H2 1 1 15 3058 1 1 1 SER H3 H -4.582 5.958 3.801 1.00 . A A . 1 SER H3 1 1 15 3059 1 1 1 SER HA H -6.565 4.831 2.724 1.00 . A A . 1 SER HA 1 1 15 3060 1 1 1 SER HB2 H -5.540 6.675 0.639 1.00 . A A . 1 SER HB2 1 1 15 3061 1 1 1 SER HB3 H -5.918 5.038 0.103 1.00 . A A . 1 SER HB3 1 1 15 3062 1 1 1 SER HG H -7.980 5.403 0.413 1.00 . A A . 1 SER HG 1 1 15 3063 1 1 1 SER N N -5.168 6.365 3.046 1.00 . A A . 1 SER N 1 1 15 3064 1 1 1 SER O O -3.562 4.216 2.622 1.00 . A A . 1 SER O 1 1 15 3065 1 1 1 SER OG O -7.490 6.113 0.835 1.00 . A A . 1 SER OG 1 1 15 3066 1 1 2 TRP C C -3.595 1.986 -0.365 1.00 . A A . 2 TRP C 1 1 15 3067 1 1 2 TRP CA C -4.119 1.988 1.065 1.00 . A A . 2 TRP CA 1 1 15 3068 1 1 2 TRP CB C -4.851 0.680 1.352 1.00 . A A . 2 TRP CB 1 1 15 3069 1 1 2 TRP CD1 C -6.097 0.322 3.565 1.00 . A A . 2 TRP CD1 1 1 15 3070 1 1 2 TRP CD2 C -3.873 0.182 3.702 1.00 . A A . 2 TRP CD2 1 1 15 3071 1 1 2 TRP CE2 C -4.410 -0.037 4.982 1.00 . A A . 2 TRP CE2 1 1 15 3072 1 1 2 TRP CE3 C -2.494 0.146 3.530 1.00 . A A . 2 TRP CE3 1 1 15 3073 1 1 2 TRP CG C -4.961 0.400 2.813 1.00 . A A . 2 TRP CG 1 1 15 3074 1 1 2 TRP CH2 C -2.249 -0.315 5.891 1.00 . A A . 2 TRP CH2 1 1 15 3075 1 1 2 TRP CZ2 C -3.604 -0.289 6.090 1.00 . A A . 2 TRP CZ2 1 1 15 3076 1 1 2 TRP CZ3 C -1.695 -0.099 4.622 1.00 . A A . 2 TRP CZ3 1 1 15 3077 1 1 2 TRP H H -5.901 3.112 0.889 1.00 . A A . 2 TRP H 1 1 15 3078 1 1 2 TRP HA H -3.279 2.072 1.748 1.00 . A A . 2 TRP HA 1 1 15 3079 1 1 2 TRP HB2 H -5.844 0.725 0.937 1.00 . A A . 2 TRP HB2 1 1 15 3080 1 1 2 TRP HB3 H -4.311 -0.136 0.895 1.00 . A A . 2 TRP HB3 1 1 15 3081 1 1 2 TRP HD1 H -7.095 0.453 3.175 1.00 . A A . 2 TRP HD1 1 1 15 3082 1 1 2 TRP HE1 H -6.414 -0.058 5.609 1.00 . A A . 2 TRP HE1 1 1 15 3083 1 1 2 TRP HE3 H -2.049 0.309 2.560 1.00 . A A . 2 TRP HE3 1 1 15 3084 1 1 2 TRP HH2 H -1.583 -0.504 6.721 1.00 . A A . 2 TRP HH2 1 1 15 3085 1 1 2 TRP HZ2 H -4.017 -0.457 7.073 1.00 . A A . 2 TRP HZ2 1 1 15 3086 1 1 2 TRP HZ3 H -0.626 -0.121 4.500 1.00 . A A . 2 TRP HZ3 1 1 15 3087 1 1 2 TRP N N -5.012 3.115 1.301 1.00 . A A . 2 TRP N 1 1 15 3088 1 1 2 TRP NE1 N -5.774 0.052 4.874 1.00 . A A . 2 TRP NE1 1 1 15 3089 1 1 2 TRP O O -4.363 2.092 -1.321 1.00 . A A . 2 TRP O 1 1 15 3090 1 1 3 THR C C -0.858 0.518 -1.957 1.00 . A A . 3 THR C 1 1 15 3091 1 1 3 THR CA C -1.645 1.812 -1.808 1.00 . A A . 3 THR CA 1 1 15 3092 1 1 3 THR CB C -0.718 3.016 -1.987 1.00 . A A . 3 THR CB 1 1 15 3093 1 1 3 THR CG2 C 0.283 3.173 -0.863 1.00 . A A . 3 THR CG2 1 1 15 3094 1 1 3 THR H H -1.729 1.758 0.302 1.00 . A A . 3 THR H 1 1 15 3095 1 1 3 THR HA H -2.419 1.843 -2.561 1.00 . A A . 3 THR HA 1 1 15 3096 1 1 3 THR HB H -1.316 3.915 -2.025 1.00 . A A . 3 THR HB 1 1 15 3097 1 1 3 THR HG1 H 0.580 3.679 -3.295 1.00 . A A . 3 THR HG1 1 1 15 3098 1 1 3 THR HG21 H 1.035 3.894 -1.149 1.00 . A A . 3 THR HG21 1 1 15 3099 1 1 3 THR HG22 H 0.753 2.221 -0.664 1.00 . A A . 3 THR HG22 1 1 15 3100 1 1 3 THR HG23 H -0.225 3.516 0.026 1.00 . A A . 3 THR HG23 1 1 15 3101 1 1 3 THR N N -2.283 1.849 -0.501 1.00 . A A . 3 THR N 1 1 15 3102 1 1 3 THR O O -0.065 0.164 -1.087 1.00 . A A . 3 THR O 1 1 15 3103 1 1 3 THR OG1 O 0.009 2.913 -3.199 1.00 . A A . 3 THR OG1 1 1 15 3104 1 1 4 TRP C C 0.907 -1.202 -4.038 1.00 . A A . 4 TRP C 1 1 15 3105 1 1 4 TRP CA C -0.398 -1.451 -3.286 1.00 . A A . 4 TRP CA 1 1 15 3106 1 1 4 TRP CB C -1.344 -2.366 -4.068 1.00 . A A . 4 TRP CB 1 1 15 3107 1 1 4 TRP CD1 C -0.010 -3.541 -5.898 1.00 . A A . 4 TRP CD1 1 1 15 3108 1 1 4 TRP CD2 C -0.719 -4.891 -4.263 1.00 . A A . 4 TRP CD2 1 1 15 3109 1 1 4 TRP CE2 C -0.020 -5.665 -5.205 1.00 . A A . 4 TRP CE2 1 1 15 3110 1 1 4 TRP CE3 C -1.260 -5.519 -3.140 1.00 . A A . 4 TRP CE3 1 1 15 3111 1 1 4 TRP CG C -0.700 -3.540 -4.726 1.00 . A A . 4 TRP CG 1 1 15 3112 1 1 4 TRP CH2 C -0.392 -7.630 -3.948 1.00 . A A . 4 TRP CH2 1 1 15 3113 1 1 4 TRP CZ2 C 0.148 -7.040 -5.058 1.00 . A A . 4 TRP CZ2 1 1 15 3114 1 1 4 TRP CZ3 C -1.091 -6.882 -2.993 1.00 . A A . 4 TRP CZ3 1 1 15 3115 1 1 4 TRP H H -1.732 0.127 -3.716 1.00 . A A . 4 TRP H 1 1 15 3116 1 1 4 TRP HA H -0.177 -1.898 -2.329 1.00 . A A . 4 TRP HA 1 1 15 3117 1 1 4 TRP HB2 H -2.095 -2.745 -3.392 1.00 . A A . 4 TRP HB2 1 1 15 3118 1 1 4 TRP HB3 H -1.831 -1.783 -4.836 1.00 . A A . 4 TRP HB3 1 1 15 3119 1 1 4 TRP HD1 H 0.173 -2.657 -6.492 1.00 . A A . 4 TRP HD1 1 1 15 3120 1 1 4 TRP HE1 H 0.918 -5.079 -6.991 1.00 . A A . 4 TRP HE1 1 1 15 3121 1 1 4 TRP HE3 H -1.798 -4.956 -2.392 1.00 . A A . 4 TRP HE3 1 1 15 3122 1 1 4 TRP HH2 H -0.284 -8.694 -3.794 1.00 . A A . 4 TRP HH2 1 1 15 3123 1 1 4 TRP HZ2 H 0.684 -7.631 -5.786 1.00 . A A . 4 TRP HZ2 1 1 15 3124 1 1 4 TRP HZ3 H -1.502 -7.385 -2.129 1.00 . A A . 4 TRP HZ3 1 1 15 3125 1 1 4 TRP N N -1.085 -0.194 -3.053 1.00 . A A . 4 TRP N 1 1 15 3126 1 1 4 TRP NE1 N 0.404 -4.818 -6.198 1.00 . A A . 4 TRP NE1 1 1 15 3127 1 1 4 TRP O O 0.920 -0.545 -5.080 1.00 . A A . 4 TRP O 1 1 15 3128 1 1 5 GLU C C 4.197 -2.775 -3.977 1.00 . A A . 5 GLU C 1 1 15 3129 1 1 5 GLU CA C 3.318 -1.533 -4.106 1.00 . A A . 5 GLU CA 1 1 15 3130 1 1 5 GLU CB C 4.027 -0.333 -3.476 1.00 . A A . 5 GLU CB 1 1 15 3131 1 1 5 GLU CD C 3.985 2.154 -3.037 1.00 . A A . 5 GLU CD 1 1 15 3132 1 1 5 GLU CG C 3.376 1.000 -3.809 1.00 . A A . 5 GLU CG 1 1 15 3133 1 1 5 GLU H H 1.933 -2.223 -2.656 1.00 . A A . 5 GLU H 1 1 15 3134 1 1 5 GLU HA H 3.163 -1.330 -5.155 1.00 . A A . 5 GLU HA 1 1 15 3135 1 1 5 GLU HB2 H 4.025 -0.452 -2.401 1.00 . A A . 5 GLU HB2 1 1 15 3136 1 1 5 GLU HB3 H 5.050 -0.308 -3.829 1.00 . A A . 5 GLU HB3 1 1 15 3137 1 1 5 GLU HG2 H 3.496 1.191 -4.865 1.00 . A A . 5 GLU HG2 1 1 15 3138 1 1 5 GLU HG3 H 2.324 0.942 -3.572 1.00 . A A . 5 GLU HG3 1 1 15 3139 1 1 5 GLU N N 2.006 -1.718 -3.493 1.00 . A A . 5 GLU N 1 1 15 3140 1 1 5 GLU O O 4.219 -3.428 -2.934 1.00 . A A . 5 GLU O 1 1 15 3141 1 1 5 GLU OE1 O 3.236 3.085 -2.673 1.00 . A A . 5 GLU OE1 1 1 15 3142 1 1 5 GLU OE2 O 5.210 2.127 -2.795 1.00 . A A . 5 GLU OE2 1 1 15 3143 1 1 6 ASN C C 5.228 -5.469 -4.469 1.00 . A A . 6 ASN C 1 1 15 3144 1 1 6 ASN CA C 5.864 -4.207 -5.046 1.00 . A A . 6 ASN CA 1 1 15 3145 1 1 6 ASN CB C 7.133 -3.863 -4.264 1.00 . A A . 6 ASN CB 1 1 15 3146 1 1 6 ASN CG C 8.390 -4.347 -4.961 1.00 . A A . 6 ASN CG 1 1 15 3147 1 1 6 ASN H H 4.897 -2.493 -5.825 1.00 . A A . 6 ASN H 1 1 15 3148 1 1 6 ASN HA H 6.134 -4.398 -6.074 1.00 . A A . 6 ASN HA 1 1 15 3149 1 1 6 ASN HB2 H 7.199 -2.789 -4.151 1.00 . A A . 6 ASN HB2 1 1 15 3150 1 1 6 ASN HB3 H 7.084 -4.324 -3.286 1.00 . A A . 6 ASN HB3 1 1 15 3151 1 1 6 ASN HD21 H 8.144 -2.996 -6.398 1.00 . A A . 6 ASN HD21 1 1 15 3152 1 1 6 ASN HD22 H 9.529 -4.017 -6.557 1.00 . A A . 6 ASN HD22 1 1 15 3153 1 1 6 ASN N N 4.945 -3.071 -5.035 1.00 . A A . 6 ASN N 1 1 15 3154 1 1 6 ASN ND2 N 8.721 -3.724 -6.086 1.00 . A A . 6 ASN ND2 1 1 15 3155 1 1 6 ASN O O 5.899 -6.262 -3.808 1.00 . A A . 6 ASN O 1 1 15 3156 1 1 6 ASN OD1 O 9.056 -5.271 -4.494 1.00 . A A . 6 ASN OD1 1 1 15 3157 1 1 7 GLY C C 2.872 -6.742 -2.769 1.00 . A A . 7 GLY C 1 1 15 3158 1 1 7 GLY CA C 3.262 -6.840 -4.234 1.00 . A A . 7 GLY CA 1 1 15 3159 1 1 7 GLY H H 3.456 -5.003 -5.271 1.00 . A A . 7 GLY H 1 1 15 3160 1 1 7 GLY HA2 H 2.376 -6.998 -4.821 1.00 . A A . 7 GLY HA2 1 1 15 3161 1 1 7 GLY HA3 H 3.915 -7.692 -4.361 1.00 . A A . 7 GLY HA3 1 1 15 3162 1 1 7 GLY N N 3.943 -5.660 -4.730 1.00 . A A . 7 GLY N 1 1 15 3163 1 1 7 GLY O O 2.646 -7.763 -2.119 1.00 . A A . 7 GLY O 1 1 15 3164 1 1 8 LYS C C 1.599 -4.074 -0.626 1.00 . A A . 8 LYS C 1 1 15 3165 1 1 8 LYS CA C 2.436 -5.335 -0.834 1.00 . A A . 8 LYS CA 1 1 15 3166 1 1 8 LYS CB C 3.698 -5.267 0.029 1.00 . A A . 8 LYS CB 1 1 15 3167 1 1 8 LYS CD C 5.481 -3.718 0.887 1.00 . A A . 8 LYS CD 1 1 15 3168 1 1 8 LYS CE C 4.661 -3.306 2.099 1.00 . A A . 8 LYS CE 1 1 15 3169 1 1 8 LYS CG C 4.591 -4.079 -0.291 1.00 . A A . 8 LYS CG 1 1 15 3170 1 1 8 LYS H H 2.991 -4.741 -2.796 1.00 . A A . 8 LYS H 1 1 15 3171 1 1 8 LYS HA H 1.853 -6.190 -0.528 1.00 . A A . 8 LYS HA 1 1 15 3172 1 1 8 LYS HB2 H 3.406 -5.202 1.067 1.00 . A A . 8 LYS HB2 1 1 15 3173 1 1 8 LYS HB3 H 4.270 -6.170 -0.119 1.00 . A A . 8 LYS HB3 1 1 15 3174 1 1 8 LYS HD2 H 6.082 -4.576 1.148 1.00 . A A . 8 LYS HD2 1 1 15 3175 1 1 8 LYS HD3 H 6.124 -2.899 0.602 1.00 . A A . 8 LYS HD3 1 1 15 3176 1 1 8 LYS HE2 H 3.755 -2.828 1.759 1.00 . A A . 8 LYS HE2 1 1 15 3177 1 1 8 LYS HE3 H 4.410 -4.190 2.666 1.00 . A A . 8 LYS HE3 1 1 15 3178 1 1 8 LYS HG2 H 5.214 -4.327 -1.137 1.00 . A A . 8 LYS HG2 1 1 15 3179 1 1 8 LYS HG3 H 3.970 -3.230 -0.536 1.00 . A A . 8 LYS HG3 1 1 15 3180 1 1 8 LYS HZ1 H 5.930 -1.674 2.400 1.00 . A A . 8 LYS HZ1 1 1 15 3181 1 1 8 LYS HZ2 H 6.078 -2.883 3.574 1.00 . A A . 8 LYS HZ2 1 1 15 3182 1 1 8 LYS HZ3 H 4.742 -1.847 3.592 1.00 . A A . 8 LYS HZ3 1 1 15 3183 1 1 8 LYS N N 2.797 -5.524 -2.238 1.00 . A A . 8 LYS N 1 1 15 3184 1 1 8 LYS NZ N 5.405 -2.362 2.978 1.00 . A A . 8 LYS NZ 1 1 15 3185 1 1 8 LYS O O 1.842 -3.041 -1.250 1.00 . A A . 8 LYS O 1 1 15 3186 1 1 9 TRP C C 0.409 -2.106 1.584 1.00 . A A . 9 TRP C 1 1 15 3187 1 1 9 TRP CA C -0.261 -3.044 0.583 1.00 . A A . 9 TRP CA 1 1 15 3188 1 1 9 TRP CB C -1.583 -3.560 1.158 1.00 . A A . 9 TRP CB 1 1 15 3189 1 1 9 TRP CD1 C -2.968 -5.178 -0.199 1.00 . A A . 9 TRP CD1 1 1 15 3190 1 1 9 TRP CD2 C -3.361 -3.041 -0.706 1.00 . A A . 9 TRP CD2 1 1 15 3191 1 1 9 TRP CE2 C -4.173 -3.851 -1.524 1.00 . A A . 9 TRP CE2 1 1 15 3192 1 1 9 TRP CE3 C -3.441 -1.651 -0.845 1.00 . A A . 9 TRP CE3 1 1 15 3193 1 1 9 TRP CG C -2.592 -3.923 0.123 1.00 . A A . 9 TRP CG 1 1 15 3194 1 1 9 TRP CH2 C -5.109 -1.956 -2.577 1.00 . A A . 9 TRP CH2 1 1 15 3195 1 1 9 TRP CZ2 C -5.052 -3.318 -2.463 1.00 . A A . 9 TRP CZ2 1 1 15 3196 1 1 9 TRP CZ3 C -4.315 -1.125 -1.778 1.00 . A A . 9 TRP CZ3 1 1 15 3197 1 1 9 TRP H H 0.482 -5.021 0.735 1.00 . A A . 9 TRP H 1 1 15 3198 1 1 9 TRP HA H -0.457 -2.505 -0.332 1.00 . A A . 9 TRP HA 1 1 15 3199 1 1 9 TRP HB2 H -1.387 -4.444 1.745 1.00 . A A . 9 TRP HB2 1 1 15 3200 1 1 9 TRP HB3 H -2.018 -2.817 1.790 1.00 . A A . 9 TRP HB3 1 1 15 3201 1 1 9 TRP HD1 H -2.562 -6.052 0.271 1.00 . A A . 9 TRP HD1 1 1 15 3202 1 1 9 TRP HE1 H -4.333 -5.942 -1.601 1.00 . A A . 9 TRP HE1 1 1 15 3203 1 1 9 TRP HE3 H -2.842 -0.991 -0.235 1.00 . A A . 9 TRP HE3 1 1 15 3204 1 1 9 TRP HH2 H -5.777 -1.501 -3.293 1.00 . A A . 9 TRP HH2 1 1 15 3205 1 1 9 TRP HZ2 H -5.671 -3.946 -3.087 1.00 . A A . 9 TRP HZ2 1 1 15 3206 1 1 9 TRP HZ3 H -4.390 -0.054 -1.900 1.00 . A A . 9 TRP HZ3 1 1 15 3207 1 1 9 TRP N N 0.617 -4.170 0.268 1.00 . A A . 9 TRP N 1 1 15 3208 1 1 9 TRP NE1 N -3.913 -5.155 -1.195 1.00 . A A . 9 TRP NE1 1 1 15 3209 1 1 9 TRP O O 0.857 -2.537 2.646 1.00 . A A . 9 TRP O 1 1 15 3210 1 1 10 THR C C 0.166 1.359 2.342 1.00 . A A . 10 THR C 1 1 15 3211 1 1 10 THR CA C 1.097 0.171 2.114 1.00 . A A . 10 THR CA 1 1 15 3212 1 1 10 THR CB C 2.419 0.652 1.515 1.00 . A A . 10 THR CB 1 1 15 3213 1 1 10 THR CG2 C 3.478 0.940 2.556 1.00 . A A . 10 THR CG2 1 1 15 3214 1 1 10 THR H H 0.104 -0.537 0.381 1.00 . A A . 10 THR H 1 1 15 3215 1 1 10 THR HA H 1.295 -0.302 3.065 1.00 . A A . 10 THR HA 1 1 15 3216 1 1 10 THR HB H 2.241 1.564 0.963 1.00 . A A . 10 THR HB 1 1 15 3217 1 1 10 THR HG1 H 2.889 -1.184 1.021 1.00 . A A . 10 THR HG1 1 1 15 3218 1 1 10 THR HG21 H 3.212 0.456 3.484 1.00 . A A . 10 THR HG21 1 1 15 3219 1 1 10 THR HG22 H 3.549 2.006 2.714 1.00 . A A . 10 THR HG22 1 1 15 3220 1 1 10 THR HG23 H 4.431 0.563 2.214 1.00 . A A . 10 THR HG23 1 1 15 3221 1 1 10 THR N N 0.477 -0.823 1.241 1.00 . A A . 10 THR N 1 1 15 3222 1 1 10 THR O O -0.590 1.746 1.453 1.00 . A A . 10 THR O 1 1 15 3223 1 1 10 THR OG1 O 2.945 -0.313 0.621 1.00 . A A . 10 THR OG1 1 1 15 3224 1 1 11 TRP C C 0.100 4.390 3.535 1.00 . A A . 11 TRP C 1 1 15 3225 1 1 11 TRP CA C -0.607 3.083 3.880 1.00 . A A . 11 TRP CA 1 1 15 3226 1 1 11 TRP CB C -0.962 3.059 5.368 1.00 . A A . 11 TRP CB 1 1 15 3227 1 1 11 TRP CD1 C -1.452 5.372 6.353 1.00 . A A . 11 TRP CD1 1 1 15 3228 1 1 11 TRP CD2 C -3.275 4.256 5.683 1.00 . A A . 11 TRP CD2 1 1 15 3229 1 1 11 TRP CE2 C -3.676 5.502 6.202 1.00 . A A . 11 TRP CE2 1 1 15 3230 1 1 11 TRP CE3 C -4.253 3.381 5.199 1.00 . A A . 11 TRP CE3 1 1 15 3231 1 1 11 TRP CG C -1.847 4.193 5.789 1.00 . A A . 11 TRP CG 1 1 15 3232 1 1 11 TRP CH2 C -5.947 5.018 5.770 1.00 . A A . 11 TRP CH2 1 1 15 3233 1 1 11 TRP CZ2 C -5.012 5.893 6.250 1.00 . A A . 11 TRP CZ2 1 1 15 3234 1 1 11 TRP CZ3 C -5.579 3.771 5.249 1.00 . A A . 11 TRP CZ3 1 1 15 3235 1 1 11 TRP H H 0.854 1.585 4.207 1.00 . A A . 11 TRP H 1 1 15 3236 1 1 11 TRP HA H -1.515 3.014 3.300 1.00 . A A . 11 TRP HA 1 1 15 3237 1 1 11 TRP HB2 H -1.478 2.136 5.594 1.00 . A A . 11 TRP HB2 1 1 15 3238 1 1 11 TRP HB3 H -0.051 3.112 5.950 1.00 . A A . 11 TRP HB3 1 1 15 3239 1 1 11 TRP HD1 H -0.426 5.631 6.566 1.00 . A A . 11 TRP HD1 1 1 15 3240 1 1 11 TRP HE1 H -2.522 7.058 7.005 1.00 . A A . 11 TRP HE1 1 1 15 3241 1 1 11 TRP HE3 H -3.989 2.416 4.793 1.00 . A A . 11 TRP HE3 1 1 15 3242 1 1 11 TRP HH2 H -6.995 5.280 5.789 1.00 . A A . 11 TRP HH2 1 1 15 3243 1 1 11 TRP HZ2 H -5.313 6.851 6.649 1.00 . A A . 11 TRP HZ2 1 1 15 3244 1 1 11 TRP HZ3 H -6.348 3.109 4.880 1.00 . A A . 11 TRP HZ3 1 1 15 3245 1 1 11 TRP N N 0.230 1.936 3.539 1.00 . A A . 11 TRP N 1 1 15 3246 1 1 11 TRP NE1 N -2.546 6.165 6.604 1.00 . A A . 11 TRP NE1 1 1 15 3247 1 1 11 TRP O O 0.978 4.844 4.269 1.00 . A A . 11 TRP O 1 1 15 3248 1 1 12 LYS C C -0.371 6.756 0.708 1.00 . A A . 12 LYS C 1 1 15 3249 1 1 12 LYS CA C 0.309 6.245 1.974 1.00 . A A . 12 LYS CA 1 1 15 3250 1 1 12 LYS CB C 1.806 6.060 1.724 1.00 . A A . 12 LYS CB 1 1 15 3251 1 1 12 LYS CD C 3.102 7.224 3.536 1.00 . A A . 12 LYS CD 1 1 15 3252 1 1 12 LYS CE C 4.132 8.302 3.832 1.00 . A A . 12 LYS CE 1 1 15 3253 1 1 12 LYS CG C 2.639 7.278 2.089 1.00 . A A . 12 LYS CG 1 1 15 3254 1 1 12 LYS H H -0.994 4.579 1.872 1.00 . A A . 12 LYS H 1 1 15 3255 1 1 12 LYS HA H 0.171 6.971 2.761 1.00 . A A . 12 LYS HA 1 1 15 3256 1 1 12 LYS HB2 H 2.157 5.223 2.310 1.00 . A A . 12 LYS HB2 1 1 15 3257 1 1 12 LYS HB3 H 1.961 5.845 0.677 1.00 . A A . 12 LYS HB3 1 1 15 3258 1 1 12 LYS HD2 H 2.250 7.367 4.182 1.00 . A A . 12 LYS HD2 1 1 15 3259 1 1 12 LYS HD3 H 3.542 6.256 3.726 1.00 . A A . 12 LYS HD3 1 1 15 3260 1 1 12 LYS HE2 H 4.028 9.091 3.102 1.00 . A A . 12 LYS HE2 1 1 15 3261 1 1 12 LYS HE3 H 3.945 8.699 4.819 1.00 . A A . 12 LYS HE3 1 1 15 3262 1 1 12 LYS HG2 H 3.505 7.316 1.446 1.00 . A A . 12 LYS HG2 1 1 15 3263 1 1 12 LYS HG3 H 2.041 8.167 1.945 1.00 . A A . 12 LYS HG3 1 1 15 3264 1 1 12 LYS HZ1 H 5.593 7.028 3.054 1.00 . A A . 12 LYS HZ1 1 1 15 3265 1 1 12 LYS HZ2 H 5.789 7.372 4.698 1.00 . A A . 12 LYS HZ2 1 1 15 3266 1 1 12 LYS HZ3 H 6.187 8.537 3.538 1.00 . A A . 12 LYS HZ3 1 1 15 3267 1 1 12 LYS N N -0.289 4.990 2.415 1.00 . A A . 12 LYS N 1 1 15 3268 1 1 12 LYS NZ N 5.522 7.773 3.777 1.00 . A A . 12 LYS NZ 1 1 15 3269 1 1 12 LYS O O -1.596 6.721 0.592 1.00 . A A . 12 LYS O 1 1 15 3270 1 1 13 NH2 N N 0.405 7.349 -0.192 1.00 . A A . 13 NH2 N 1 1 16 3271 1 1 1 SER C C -4.520 4.049 1.739 1.00 . A A . 1 SER C 1 1 16 3272 1 1 1 SER CA C -5.565 5.155 1.802 1.00 . A A . 1 SER CA 1 1 16 3273 1 1 1 SER CB C -5.659 5.873 0.454 1.00 . A A . 1 SER CB 1 1 16 3274 1 1 1 SER H1 H -4.876 5.637 3.680 1.00 . A A . 1 SER H1 1 1 16 3275 1 1 1 SER H2 H -6.096 6.683 3.075 1.00 . A A . 1 SER H2 1 1 16 3276 1 1 1 SER H3 H -4.495 6.783 2.464 1.00 . A A . 1 SER H3 1 1 16 3277 1 1 1 SER HA H -6.524 4.717 2.040 1.00 . A A . 1 SER HA 1 1 16 3278 1 1 1 SER HB2 H -6.370 6.682 0.528 1.00 . A A . 1 SER HB2 1 1 16 3279 1 1 1 SER HB3 H -4.689 6.269 0.192 1.00 . A A . 1 SER HB3 1 1 16 3280 1 1 1 SER HG H -5.318 4.688 -1.069 1.00 . A A . 1 SER HG 1 1 16 3281 1 1 1 SER N N -5.228 6.155 2.850 1.00 . A A . 1 SER N 1 1 16 3282 1 1 1 SER O O -3.498 4.105 2.422 1.00 . A A . 1 SER O 1 1 16 3283 1 1 1 SER OG O -6.081 4.986 -0.568 1.00 . A A . 1 SER OG 1 1 16 3284 1 1 2 TRP C C -3.189 1.942 -0.596 1.00 . A A . 2 TRP C 1 1 16 3285 1 1 2 TRP CA C -3.876 1.914 0.763 1.00 . A A . 2 TRP CA 1 1 16 3286 1 1 2 TRP CB C -4.640 0.602 0.930 1.00 . A A . 2 TRP CB 1 1 16 3287 1 1 2 TRP CD1 C -6.220 0.226 2.915 1.00 . A A . 2 TRP CD1 1 1 16 3288 1 1 2 TRP CD2 C -4.045 0.105 3.407 1.00 . A A . 2 TRP CD2 1 1 16 3289 1 1 2 TRP CE2 C -4.778 -0.122 4.584 1.00 . A A . 2 TRP CE2 1 1 16 3290 1 1 2 TRP CE3 C -2.655 0.082 3.459 1.00 . A A . 2 TRP CE3 1 1 16 3291 1 1 2 TRP CG C -4.979 0.317 2.355 1.00 . A A . 2 TRP CG 1 1 16 3292 1 1 2 TRP CH2 C -2.788 -0.384 5.828 1.00 . A A . 2 TRP CH2 1 1 16 3293 1 1 2 TRP CZ2 C -4.158 -0.369 5.807 1.00 . A A . 2 TRP CZ2 1 1 16 3294 1 1 2 TRP CZ3 C -2.040 -0.160 4.664 1.00 . A A . 2 TRP CZ3 1 1 16 3295 1 1 2 TRP H H -5.621 3.054 0.402 1.00 . A A . 2 TRP H 1 1 16 3296 1 1 2 TRP HA H -3.122 1.979 1.542 1.00 . A A . 2 TRP HA 1 1 16 3297 1 1 2 TRP HB2 H -5.555 0.646 0.363 1.00 . A A . 2 TRP HB2 1 1 16 3298 1 1 2 TRP HB3 H -4.032 -0.210 0.562 1.00 . A A . 2 TRP HB3 1 1 16 3299 1 1 2 TRP HD1 H -7.144 0.348 2.371 1.00 . A A . 2 TRP HD1 1 1 16 3300 1 1 2 TRP HE1 H -6.856 -0.161 4.882 1.00 . A A . 2 TRP HE1 1 1 16 3301 1 1 2 TRP HE3 H -2.062 0.251 2.573 1.00 . A A . 2 TRP HE3 1 1 16 3302 1 1 2 TRP HH2 H -2.263 -0.570 6.753 1.00 . A A . 2 TRP HH2 1 1 16 3303 1 1 2 TRP HZ2 H -4.723 -0.544 6.711 1.00 . A A . 2 TRP HZ2 1 1 16 3304 1 1 2 TRP HZ3 H -0.965 -0.174 4.716 1.00 . A A . 2 TRP HZ3 1 1 16 3305 1 1 2 TRP N N -4.787 3.041 0.917 1.00 . A A . 2 TRP N 1 1 16 3306 1 1 2 TRP NE1 N -6.108 -0.044 4.259 1.00 . A A . 2 TRP NE1 1 1 16 3307 1 1 2 TRP O O -3.840 2.076 -1.632 1.00 . A A . 2 TRP O 1 1 16 3308 1 1 3 THR C C -0.446 0.426 -2.002 1.00 . A A . 3 THR C 1 1 16 3309 1 1 3 THR CA C -1.087 1.793 -1.809 1.00 . A A . 3 THR CA 1 1 16 3310 1 1 3 THR CB C -0.010 2.878 -1.765 1.00 . A A . 3 THR CB 1 1 16 3311 1 1 3 THR CG2 C -0.557 4.251 -1.437 1.00 . A A . 3 THR CG2 1 1 16 3312 1 1 3 THR H H -1.412 1.688 0.275 1.00 . A A . 3 THR H 1 1 16 3313 1 1 3 THR HA H -1.755 1.988 -2.635 1.00 . A A . 3 THR HA 1 1 16 3314 1 1 3 THR HB H 0.469 2.935 -2.732 1.00 . A A . 3 THR HB 1 1 16 3315 1 1 3 THR HG1 H 1.793 3.023 -1.013 1.00 . A A . 3 THR HG1 1 1 16 3316 1 1 3 THR HG21 H -0.859 4.745 -2.348 1.00 . A A . 3 THR HG21 1 1 16 3317 1 1 3 THR HG22 H 0.208 4.835 -0.947 1.00 . A A . 3 THR HG22 1 1 16 3318 1 1 3 THR HG23 H -1.409 4.152 -0.781 1.00 . A A . 3 THR HG23 1 1 16 3319 1 1 3 THR N N -1.870 1.801 -0.583 1.00 . A A . 3 THR N 1 1 16 3320 1 1 3 THR O O 0.191 -0.103 -1.092 1.00 . A A . 3 THR O 1 1 16 3321 1 1 3 THR OG1 O 0.977 2.566 -0.797 1.00 . A A . 3 THR OG1 1 1 16 3322 1 1 4 TRP C C 1.195 -1.314 -4.318 1.00 . A A . 4 TRP C 1 1 16 3323 1 1 4 TRP CA C -0.069 -1.458 -3.474 1.00 . A A . 4 TRP CA 1 1 16 3324 1 1 4 TRP CB C -1.145 -2.274 -4.192 1.00 . A A . 4 TRP CB 1 1 16 3325 1 1 4 TRP CD1 C -0.207 -3.600 -6.154 1.00 . A A . 4 TRP CD1 1 1 16 3326 1 1 4 TRP CD2 C -0.600 -4.822 -4.324 1.00 . A A . 4 TRP CD2 1 1 16 3327 1 1 4 TRP CE2 C -0.105 -5.672 -5.328 1.00 . A A . 4 TRP CE2 1 1 16 3328 1 1 4 TRP CE3 C -0.918 -5.361 -3.076 1.00 . A A . 4 TRP CE3 1 1 16 3329 1 1 4 TRP CG C -0.658 -3.506 -4.875 1.00 . A A . 4 TRP CG 1 1 16 3330 1 1 4 TRP CH2 C -0.245 -7.540 -3.888 1.00 . A A . 4 TRP CH2 1 1 16 3331 1 1 4 TRP CZ2 C 0.075 -7.037 -5.122 1.00 . A A . 4 TRP CZ2 1 1 16 3332 1 1 4 TRP CZ3 C -0.737 -6.714 -2.869 1.00 . A A . 4 TRP CZ3 1 1 16 3333 1 1 4 TRP H H -1.145 0.310 -3.873 1.00 . A A . 4 TRP H 1 1 16 3334 1 1 4 TRP HA H 0.180 -1.937 -2.539 1.00 . A A . 4 TRP HA 1 1 16 3335 1 1 4 TRP HB2 H -1.890 -2.575 -3.472 1.00 . A A . 4 TRP HB2 1 1 16 3336 1 1 4 TRP HB3 H -1.614 -1.647 -4.937 1.00 . A A . 4 TRP HB3 1 1 16 3337 1 1 4 TRP HD1 H -0.134 -2.761 -6.831 1.00 . A A . 4 TRP HD1 1 1 16 3338 1 1 4 TRP HE1 H 0.474 -5.227 -7.298 1.00 . A A . 4 TRP HE1 1 1 16 3339 1 1 4 TRP HE3 H -1.298 -4.739 -2.280 1.00 . A A . 4 TRP HE3 1 1 16 3340 1 1 4 TRP HH2 H -0.119 -8.593 -3.684 1.00 . A A . 4 TRP HH2 1 1 16 3341 1 1 4 TRP HZ2 H 0.453 -7.687 -5.897 1.00 . A A . 4 TRP HZ2 1 1 16 3342 1 1 4 TRP HZ3 H -0.973 -7.147 -1.908 1.00 . A A . 4 TRP HZ3 1 1 16 3343 1 1 4 TRP N N -0.623 -0.150 -3.182 1.00 . A A . 4 TRP N 1 1 16 3344 1 1 4 TRP NE1 N 0.126 -4.903 -6.441 1.00 . A A . 4 TRP NE1 1 1 16 3345 1 1 4 TRP O O 1.192 -0.629 -5.341 1.00 . A A . 4 TRP O 1 1 16 3346 1 1 5 GLU C C 4.313 -3.177 -4.588 1.00 . A A . 5 GLU C 1 1 16 3347 1 1 5 GLU CA C 3.549 -1.855 -4.588 1.00 . A A . 5 GLU CA 1 1 16 3348 1 1 5 GLU CB C 4.420 -0.758 -3.973 1.00 . A A . 5 GLU CB 1 1 16 3349 1 1 5 GLU CD C 6.902 -0.369 -4.247 1.00 . A A . 5 GLU CD 1 1 16 3350 1 1 5 GLU CG C 5.533 -0.279 -4.892 1.00 . A A . 5 GLU CG 1 1 16 3351 1 1 5 GLU H H 2.231 -2.462 -3.044 1.00 . A A . 5 GLU H 1 1 16 3352 1 1 5 GLU HA H 3.329 -1.586 -5.610 1.00 . A A . 5 GLU HA 1 1 16 3353 1 1 5 GLU HB2 H 3.793 0.090 -3.731 1.00 . A A . 5 GLU HB2 1 1 16 3354 1 1 5 GLU HB3 H 4.869 -1.138 -3.065 1.00 . A A . 5 GLU HB3 1 1 16 3355 1 1 5 GLU HG2 H 5.532 -0.887 -5.784 1.00 . A A . 5 GLU HG2 1 1 16 3356 1 1 5 GLU HG3 H 5.343 0.750 -5.159 1.00 . A A . 5 GLU HG3 1 1 16 3357 1 1 5 GLU N N 2.281 -1.944 -3.874 1.00 . A A . 5 GLU N 1 1 16 3358 1 1 5 GLU O O 4.697 -3.688 -3.536 1.00 . A A . 5 GLU O 1 1 16 3359 1 1 5 GLU OE1 O 7.533 -1.443 -4.340 1.00 . A A . 5 GLU OE1 1 1 16 3360 1 1 5 GLU OE2 O 7.344 0.635 -3.650 1.00 . A A . 5 GLU OE2 1 1 16 3361 1 1 6 ASN C C 4.874 -6.043 -4.985 1.00 . A A . 6 ASN C 1 1 16 3362 1 1 6 ASN CA C 5.314 -4.942 -5.951 1.00 . A A . 6 ASN CA 1 1 16 3363 1 1 6 ASN CB C 6.809 -4.668 -5.775 1.00 . A A . 6 ASN CB 1 1 16 3364 1 1 6 ASN CG C 7.650 -5.350 -6.836 1.00 . A A . 6 ASN CG 1 1 16 3365 1 1 6 ASN H H 4.247 -3.227 -6.581 1.00 . A A . 6 ASN H 1 1 16 3366 1 1 6 ASN HA H 5.148 -5.288 -6.959 1.00 . A A . 6 ASN HA 1 1 16 3367 1 1 6 ASN HB2 H 6.984 -3.602 -5.834 1.00 . A A . 6 ASN HB2 1 1 16 3368 1 1 6 ASN HB3 H 7.124 -5.030 -4.804 1.00 . A A . 6 ASN HB3 1 1 16 3369 1 1 6 ASN HD21 H 6.749 -7.085 -6.472 1.00 . A A . 6 ASN HD21 1 1 16 3370 1 1 6 ASN HD22 H 7.962 -7.112 -7.703 1.00 . A A . 6 ASN HD22 1 1 16 3371 1 1 6 ASN N N 4.559 -3.702 -5.782 1.00 . A A . 6 ASN N 1 1 16 3372 1 1 6 ASN ND2 N 7.432 -6.646 -7.023 1.00 . A A . 6 ASN ND2 1 1 16 3373 1 1 6 ASN O O 5.702 -6.828 -4.520 1.00 . A A . 6 ASN O 1 1 16 3374 1 1 6 ASN OD1 O 8.487 -4.718 -7.482 1.00 . A A . 6 ASN OD1 1 1 16 3375 1 1 7 GLY C C 2.962 -6.736 -2.362 1.00 . A A . 7 GLY C 1 1 16 3376 1 1 7 GLY CA C 3.094 -7.164 -3.813 1.00 . A A . 7 GLY CA 1 1 16 3377 1 1 7 GLY H H 2.951 -5.488 -5.108 1.00 . A A . 7 GLY H 1 1 16 3378 1 1 7 GLY HA2 H 2.133 -7.495 -4.161 1.00 . A A . 7 GLY HA2 1 1 16 3379 1 1 7 GLY HA3 H 3.779 -7.998 -3.863 1.00 . A A . 7 GLY HA3 1 1 16 3380 1 1 7 GLY N N 3.578 -6.122 -4.701 1.00 . A A . 7 GLY N 1 1 16 3381 1 1 7 GLY O O 2.947 -7.585 -1.470 1.00 . A A . 7 GLY O 1 1 16 3382 1 1 8 LYS C C 1.808 -3.765 -0.602 1.00 . A A . 8 LYS C 1 1 16 3383 1 1 8 LYS CA C 2.757 -4.956 -0.729 1.00 . A A . 8 LYS CA 1 1 16 3384 1 1 8 LYS CB C 4.135 -4.578 -0.184 1.00 . A A . 8 LYS CB 1 1 16 3385 1 1 8 LYS CD C 5.893 -5.725 1.201 1.00 . A A . 8 LYS CD 1 1 16 3386 1 1 8 LYS CE C 5.087 -6.280 2.364 1.00 . A A . 8 LYS CE 1 1 16 3387 1 1 8 LYS CG C 5.096 -5.753 -0.094 1.00 . A A . 8 LYS CG 1 1 16 3388 1 1 8 LYS H H 2.898 -4.790 -2.844 1.00 . A A . 8 LYS H 1 1 16 3389 1 1 8 LYS HA H 2.364 -5.769 -0.138 1.00 . A A . 8 LYS HA 1 1 16 3390 1 1 8 LYS HB2 H 4.573 -3.832 -0.831 1.00 . A A . 8 LYS HB2 1 1 16 3391 1 1 8 LYS HB3 H 4.016 -4.160 0.804 1.00 . A A . 8 LYS HB3 1 1 16 3392 1 1 8 LYS HD2 H 6.784 -6.322 1.077 1.00 . A A . 8 LYS HD2 1 1 16 3393 1 1 8 LYS HD3 H 6.169 -4.704 1.421 1.00 . A A . 8 LYS HD3 1 1 16 3394 1 1 8 LYS HE2 H 5.591 -6.033 3.286 1.00 . A A . 8 LYS HE2 1 1 16 3395 1 1 8 LYS HE3 H 4.107 -5.825 2.356 1.00 . A A . 8 LYS HE3 1 1 16 3396 1 1 8 LYS HG2 H 4.531 -6.672 -0.136 1.00 . A A . 8 LYS HG2 1 1 16 3397 1 1 8 LYS HG3 H 5.781 -5.711 -0.928 1.00 . A A . 8 LYS HG3 1 1 16 3398 1 1 8 LYS HZ1 H 5.783 -8.228 2.656 1.00 . A A . 8 LYS HZ1 1 1 16 3399 1 1 8 LYS HZ2 H 4.803 -8.049 1.289 1.00 . A A . 8 LYS HZ2 1 1 16 3400 1 1 8 LYS HZ3 H 4.107 -8.066 2.831 1.00 . A A . 8 LYS HZ3 1 1 16 3401 1 1 8 LYS N N 2.876 -5.434 -2.105 1.00 . A A . 8 LYS N 1 1 16 3402 1 1 8 LYS NZ N 4.934 -7.759 2.279 1.00 . A A . 8 LYS NZ 1 1 16 3403 1 1 8 LYS O O 1.903 -2.793 -1.351 1.00 . A A . 8 LYS O 1 1 16 3404 1 1 9 TRP C C 0.484 -1.846 1.721 1.00 . A A . 9 TRP C 1 1 16 3405 1 1 9 TRP CA C -0.060 -2.786 0.645 1.00 . A A . 9 TRP CA 1 1 16 3406 1 1 9 TRP CB C -1.389 -3.389 1.111 1.00 . A A . 9 TRP CB 1 1 16 3407 1 1 9 TRP CD1 C -2.704 -5.047 -0.281 1.00 . A A . 9 TRP CD1 1 1 16 3408 1 1 9 TRP CD2 C -2.937 -2.932 -0.962 1.00 . A A . 9 TRP CD2 1 1 16 3409 1 1 9 TRP CE2 C -3.698 -3.762 -1.809 1.00 . A A . 9 TRP CE2 1 1 16 3410 1 1 9 TRP CE3 C -2.934 -1.553 -1.197 1.00 . A A . 9 TRP CE3 1 1 16 3411 1 1 9 TRP CG C -2.301 -3.786 -0.001 1.00 . A A . 9 TRP CG 1 1 16 3412 1 1 9 TRP CH2 C -4.426 -1.907 -3.075 1.00 . A A . 9 TRP CH2 1 1 16 3413 1 1 9 TRP CZ2 C -4.447 -3.259 -2.870 1.00 . A A . 9 TRP CZ2 1 1 16 3414 1 1 9 TRP CZ3 C -3.680 -1.056 -2.250 1.00 . A A . 9 TRP CZ3 1 1 16 3415 1 1 9 TRP H H 0.897 -4.651 0.941 1.00 . A A . 9 TRP H 1 1 16 3416 1 1 9 TRP HA H -0.218 -2.231 -0.268 1.00 . A A . 9 TRP HA 1 1 16 3417 1 1 9 TRP HB2 H -1.185 -4.273 1.695 1.00 . A A . 9 TRP HB2 1 1 16 3418 1 1 9 TRP HB3 H -1.910 -2.682 1.725 1.00 . A A . 9 TRP HB3 1 1 16 3419 1 1 9 TRP HD1 H -2.394 -5.907 0.283 1.00 . A A . 9 TRP HD1 1 1 16 3420 1 1 9 TRP HE1 H -3.951 -5.845 -1.771 1.00 . A A . 9 TRP HE1 1 1 16 3421 1 1 9 TRP HE3 H -2.371 -0.879 -0.569 1.00 . A A . 9 TRP HE3 1 1 16 3422 1 1 9 TRP HH2 H -4.992 -1.474 -3.886 1.00 . A A . 9 TRP HH2 1 1 16 3423 1 1 9 TRP HZ2 H -5.027 -3.901 -3.515 1.00 . A A . 9 TRP HZ2 1 1 16 3424 1 1 9 TRP HZ3 H -3.690 0.006 -2.447 1.00 . A A . 9 TRP HZ3 1 1 16 3425 1 1 9 TRP N N 0.905 -3.851 0.375 1.00 . A A . 9 TRP N 1 1 16 3426 1 1 9 TRP NE1 N -3.538 -5.051 -1.372 1.00 . A A . 9 TRP NE1 1 1 16 3427 1 1 9 TRP O O 0.877 -2.292 2.799 1.00 . A A . 9 TRP O 1 1 16 3428 1 1 10 THR C C 0.017 1.570 2.587 1.00 . A A . 10 THR C 1 1 16 3429 1 1 10 THR CA C 1.016 0.436 2.380 1.00 . A A . 10 THR CA 1 1 16 3430 1 1 10 THR CB C 2.352 1.002 1.897 1.00 . A A . 10 THR CB 1 1 16 3431 1 1 10 THR CG2 C 3.317 1.302 3.024 1.00 . A A . 10 THR CG2 1 1 16 3432 1 1 10 THR H H 0.189 -0.249 0.552 1.00 . A A . 10 THR H 1 1 16 3433 1 1 10 THR HA H 1.170 -0.066 3.323 1.00 . A A . 10 THR HA 1 1 16 3434 1 1 10 THR HB H 2.170 1.924 1.364 1.00 . A A . 10 THR HB 1 1 16 3435 1 1 10 THR HG1 H 3.185 -0.720 1.478 1.00 . A A . 10 THR HG1 1 1 16 3436 1 1 10 THR HG21 H 4.021 0.488 3.121 1.00 . A A . 10 THR HG21 1 1 16 3437 1 1 10 THR HG22 H 2.769 1.415 3.947 1.00 . A A . 10 THR HG22 1 1 16 3438 1 1 10 THR HG23 H 3.851 2.216 2.808 1.00 . A A . 10 THR HG23 1 1 16 3439 1 1 10 THR N N 0.511 -0.549 1.427 1.00 . A A . 10 THR N 1 1 16 3440 1 1 10 THR O O -0.660 1.992 1.651 1.00 . A A . 10 THR O 1 1 16 3441 1 1 10 THR OG1 O 2.991 0.097 1.014 1.00 . A A . 10 THR OG1 1 1 16 3442 1 1 11 TRP C C -0.303 4.506 3.955 1.00 . A A . 11 TRP C 1 1 16 3443 1 1 11 TRP CA C -0.983 3.154 4.142 1.00 . A A . 11 TRP CA 1 1 16 3444 1 1 11 TRP CB C -1.488 3.019 5.580 1.00 . A A . 11 TRP CB 1 1 16 3445 1 1 11 TRP CD1 C -2.250 5.191 6.704 1.00 . A A . 11 TRP CD1 1 1 16 3446 1 1 11 TRP CD2 C -3.875 4.104 5.612 1.00 . A A . 11 TRP CD2 1 1 16 3447 1 1 11 TRP CE2 C -4.419 5.272 6.180 1.00 . A A . 11 TRP CE2 1 1 16 3448 1 1 11 TRP CE3 C -4.713 3.260 4.875 1.00 . A A . 11 TRP CE3 1 1 16 3449 1 1 11 TRP CG C -2.485 4.072 5.959 1.00 . A A . 11 TRP CG 1 1 16 3450 1 1 11 TRP CH2 C -6.557 4.772 5.309 1.00 . A A . 11 TRP CH2 1 1 16 3451 1 1 11 TRP CZ2 C -5.761 5.615 6.035 1.00 . A A . 11 TRP CZ2 1 1 16 3452 1 1 11 TRP CZ3 C -6.044 3.603 4.733 1.00 . A A . 11 TRP CZ3 1 1 16 3453 1 1 11 TRP H H 0.501 1.692 4.524 1.00 . A A . 11 TRP H 1 1 16 3454 1 1 11 TRP HA H -1.823 3.091 3.467 1.00 . A A . 11 TRP HA 1 1 16 3455 1 1 11 TRP HB2 H -1.962 2.055 5.701 1.00 . A A . 11 TRP HB2 1 1 16 3456 1 1 11 TRP HB3 H -0.648 3.094 6.258 1.00 . A A . 11 TRP HB3 1 1 16 3457 1 1 11 TRP HD1 H -1.289 5.455 7.119 1.00 . A A . 11 TRP HD1 1 1 16 3458 1 1 11 TRP HE1 H -3.495 6.762 7.332 1.00 . A A . 11 TRP HE1 1 1 16 3459 1 1 11 TRP HE3 H -4.337 2.354 4.423 1.00 . A A . 11 TRP HE3 1 1 16 3460 1 1 11 TRP HH2 H -7.604 4.999 5.172 1.00 . A A . 11 TRP HH2 1 1 16 3461 1 1 11 TRP HZ2 H -6.172 6.513 6.473 1.00 . A A . 11 TRP HZ2 1 1 16 3462 1 1 11 TRP HZ3 H -6.706 2.963 4.168 1.00 . A A . 11 TRP HZ3 1 1 16 3463 1 1 11 TRP N N -0.068 2.065 3.818 1.00 . A A . 11 TRP N 1 1 16 3464 1 1 11 TRP NE1 N -3.408 5.918 6.841 1.00 . A A . 11 TRP NE1 1 1 16 3465 1 1 11 TRP O O 0.504 4.925 4.784 1.00 . A A . 11 TRP O 1 1 16 3466 1 1 12 LYS C C -0.667 7.085 1.305 1.00 . A A . 12 LYS C 1 1 16 3467 1 1 12 LYS CA C -0.053 6.488 2.567 1.00 . A A . 12 LYS CA 1 1 16 3468 1 1 12 LYS CB C 1.463 6.365 2.403 1.00 . A A . 12 LYS CB 1 1 16 3469 1 1 12 LYS CD C 3.401 7.931 2.068 1.00 . A A . 12 LYS CD 1 1 16 3470 1 1 12 LYS CE C 3.711 9.416 2.157 1.00 . A A . 12 LYS CE 1 1 16 3471 1 1 12 LYS CG C 2.233 7.550 2.963 1.00 . A A . 12 LYS CG 1 1 16 3472 1 1 12 LYS H H -1.283 4.797 2.237 1.00 . A A . 12 LYS H 1 1 16 3473 1 1 12 LYS HA H -0.265 7.141 3.400 1.00 . A A . 12 LYS HA 1 1 16 3474 1 1 12 LYS HB2 H 1.797 5.473 2.913 1.00 . A A . 12 LYS HB2 1 1 16 3475 1 1 12 LYS HB3 H 1.694 6.277 1.352 1.00 . A A . 12 LYS HB3 1 1 16 3476 1 1 12 LYS HD2 H 4.273 7.373 2.373 1.00 . A A . 12 LYS HD2 1 1 16 3477 1 1 12 LYS HD3 H 3.153 7.684 1.045 1.00 . A A . 12 LYS HD3 1 1 16 3478 1 1 12 LYS HE2 H 3.889 9.672 3.190 1.00 . A A . 12 LYS HE2 1 1 16 3479 1 1 12 LYS HE3 H 4.599 9.621 1.577 1.00 . A A . 12 LYS HE3 1 1 16 3480 1 1 12 LYS HG2 H 1.566 8.395 3.045 1.00 . A A . 12 LYS HG2 1 1 16 3481 1 1 12 LYS HG3 H 2.610 7.292 3.942 1.00 . A A . 12 LYS HG3 1 1 16 3482 1 1 12 LYS HZ1 H 2.919 11.221 1.464 1.00 . A A . 12 LYS HZ1 1 1 16 3483 1 1 12 LYS HZ2 H 1.815 10.276 2.330 1.00 . A A . 12 LYS HZ2 1 1 16 3484 1 1 12 LYS HZ3 H 2.232 9.851 0.747 1.00 . A A . 12 LYS HZ3 1 1 16 3485 1 1 12 LYS N N -0.634 5.183 2.861 1.00 . A A . 12 LYS N 1 1 16 3486 1 1 12 LYS NZ N 2.591 10.249 1.638 1.00 . A A . 12 LYS NZ 1 1 16 3487 1 1 12 LYS O O -0.815 6.403 0.291 1.00 . A A . 12 LYS O 1 1 16 3488 1 1 13 NH2 N N -0.928 8.387 1.322 1.00 . A A . 13 NH2 N 1 1 17 3489 1 1 1 SER C C -4.638 4.110 2.010 1.00 . A A . 1 SER C 1 1 17 3490 1 1 1 SER CA C -5.685 5.207 2.158 1.00 . A A . 1 SER CA 1 1 17 3491 1 1 1 SER CB C -6.041 5.786 0.787 1.00 . A A . 1 SER CB 1 1 17 3492 1 1 1 SER H1 H -4.645 5.881 3.800 1.00 . A A . 1 SER H1 1 1 17 3493 1 1 1 SER H2 H -6.022 6.820 3.389 1.00 . A A . 1 SER H2 1 1 17 3494 1 1 1 SER H3 H -4.593 6.928 2.444 1.00 . A A . 1 SER H3 1 1 17 3495 1 1 1 SER HA H -6.572 4.784 2.607 1.00 . A A . 1 SER HA 1 1 17 3496 1 1 1 SER HB2 H -5.145 5.867 0.189 1.00 . A A . 1 SER HB2 1 1 17 3497 1 1 1 SER HB3 H -6.744 5.131 0.294 1.00 . A A . 1 SER HB3 1 1 17 3498 1 1 1 SER HG H -6.110 7.706 0.407 1.00 . A A . 1 SER HG 1 1 17 3499 1 1 1 SER N N -5.192 6.308 3.026 1.00 . A A . 1 SER N 1 1 17 3500 1 1 1 SER O O -3.556 4.185 2.593 1.00 . A A . 1 SER O 1 1 17 3501 1 1 1 SER OG O -6.624 7.071 0.912 1.00 . A A . 1 SER OG 1 1 17 3502 1 1 2 TRP C C -3.514 1.977 -0.410 1.00 . A A . 2 TRP C 1 1 17 3503 1 1 2 TRP CA C -4.070 1.966 1.009 1.00 . A A . 2 TRP CA 1 1 17 3504 1 1 2 TRP CB C -4.803 0.653 1.268 1.00 . A A . 2 TRP CB 1 1 17 3505 1 1 2 TRP CD1 C -6.123 0.279 3.435 1.00 . A A . 2 TRP CD1 1 1 17 3506 1 1 2 TRP CD2 C -3.904 0.157 3.651 1.00 . A A . 2 TRP CD2 1 1 17 3507 1 1 2 TRP CE2 C -4.484 -0.070 4.911 1.00 . A A . 2 TRP CE2 1 1 17 3508 1 1 2 TRP CE3 C -2.519 0.133 3.528 1.00 . A A . 2 TRP CE3 1 1 17 3509 1 1 2 TRP CG C -4.962 0.369 2.724 1.00 . A A . 2 TRP CG 1 1 17 3510 1 1 2 TRP CH2 C -2.354 -0.333 5.895 1.00 . A A . 2 TRP CH2 1 1 17 3511 1 1 2 TRP CZ2 C -3.716 -0.317 6.046 1.00 . A A . 2 TRP CZ2 1 1 17 3512 1 1 2 TRP CZ3 C -1.758 -0.109 4.646 1.00 . A A . 2 TRP CZ3 1 1 17 3513 1 1 2 TRP H H -5.852 3.085 0.800 1.00 . A A . 2 TRP H 1 1 17 3514 1 1 2 TRP HA H -3.246 2.049 1.711 1.00 . A A . 2 TRP HA 1 1 17 3515 1 1 2 TRP HB2 H -5.782 0.693 0.819 1.00 . A A . 2 TRP HB2 1 1 17 3516 1 1 2 TRP HB3 H -4.243 -0.158 0.828 1.00 . A A . 2 TRP HB3 1 1 17 3517 1 1 2 TRP HD1 H -7.108 0.403 3.010 1.00 . A A . 2 TRP HD1 1 1 17 3518 1 1 2 TRP HE1 H -6.509 -0.108 5.466 1.00 . A A . 2 TRP HE1 1 1 17 3519 1 1 2 TRP HE3 H -2.041 0.302 2.574 1.00 . A A . 2 TRP HE3 1 1 17 3520 1 1 2 TRP HH2 H -1.717 -0.518 6.747 1.00 . A A . 2 TRP HH2 1 1 17 3521 1 1 2 TRP HZ2 H -4.162 -0.491 7.013 1.00 . A A . 2 TRP HZ2 1 1 17 3522 1 1 2 TRP HZ3 H -0.685 -0.123 4.563 1.00 . A A . 2 TRP HZ3 1 1 17 3523 1 1 2 TRP N N -4.972 3.088 1.232 1.00 . A A . 2 TRP N 1 1 17 3524 1 1 2 TRP NE1 N -5.844 0.008 4.755 1.00 . A A . 2 TRP NE1 1 1 17 3525 1 1 2 TRP O O -4.261 2.086 -1.382 1.00 . A A . 2 TRP O 1 1 17 3526 1 1 3 THR C C -0.773 0.510 -1.968 1.00 . A A . 3 THR C 1 1 17 3527 1 1 3 THR CA C -1.533 1.819 -1.811 1.00 . A A . 3 THR CA 1 1 17 3528 1 1 3 THR CB C -0.574 3.004 -1.945 1.00 . A A . 3 THR CB 1 1 17 3529 1 1 3 THR CG2 C -1.240 4.342 -1.709 1.00 . A A . 3 THR CG2 1 1 17 3530 1 1 3 THR H H -1.663 1.750 0.297 1.00 . A A . 3 THR H 1 1 17 3531 1 1 3 THR HA H -2.288 1.882 -2.580 1.00 . A A . 3 THR HA 1 1 17 3532 1 1 3 THR HB H -0.164 3.010 -2.944 1.00 . A A . 3 THR HB 1 1 17 3533 1 1 3 THR HG1 H 1.068 2.163 -1.288 1.00 . A A . 3 THR HG1 1 1 17 3534 1 1 3 THR HG21 H -2.163 4.194 -1.166 1.00 . A A . 3 THR HG21 1 1 17 3535 1 1 3 THR HG22 H -1.452 4.811 -2.658 1.00 . A A . 3 THR HG22 1 1 17 3536 1 1 3 THR HG23 H -0.582 4.976 -1.133 1.00 . A A . 3 THR HG23 1 1 17 3537 1 1 3 THR N N -2.199 1.846 -0.517 1.00 . A A . 3 THR N 1 1 17 3538 1 1 3 THR O O -0.007 0.121 -1.087 1.00 . A A . 3 THR O 1 1 17 3539 1 1 3 THR OG1 O 0.497 2.889 -1.025 1.00 . A A . 3 THR OG1 1 1 17 3540 1 1 4 TRP C C 0.964 -1.220 -4.102 1.00 . A A . 4 TRP C 1 1 17 3541 1 1 4 TRP CA C -0.329 -1.444 -3.323 1.00 . A A . 4 TRP CA 1 1 17 3542 1 1 4 TRP CB C -1.306 -2.347 -4.082 1.00 . A A . 4 TRP CB 1 1 17 3543 1 1 4 TRP CD1 C -0.042 -3.558 -5.938 1.00 . A A . 4 TRP CD1 1 1 17 3544 1 1 4 TRP CD2 C -0.717 -4.882 -4.267 1.00 . A A . 4 TRP CD2 1 1 17 3545 1 1 4 TRP CE2 C -0.055 -5.674 -5.221 1.00 . A A . 4 TRP CE2 1 1 17 3546 1 1 4 TRP CE3 C -1.230 -5.493 -3.121 1.00 . A A . 4 TRP CE3 1 1 17 3547 1 1 4 TRP CG C -0.697 -3.536 -4.745 1.00 . A A . 4 TRP CG 1 1 17 3548 1 1 4 TRP CH2 C -0.409 -7.621 -3.931 1.00 . A A . 4 TRP CH2 1 1 17 3549 1 1 4 TRP CZ2 C 0.103 -7.049 -5.064 1.00 . A A . 4 TRP CZ2 1 1 17 3550 1 1 4 TRP CZ3 C -1.071 -6.855 -2.964 1.00 . A A . 4 TRP CZ3 1 1 17 3551 1 1 4 TRP H H -1.617 0.172 -3.750 1.00 . A A . 4 TRP H 1 1 17 3552 1 1 4 TRP HA H -0.097 -1.893 -2.369 1.00 . A A . 4 TRP HA 1 1 17 3553 1 1 4 TRP HB2 H -2.051 -2.709 -3.391 1.00 . A A . 4 TRP HB2 1 1 17 3554 1 1 4 TRP HB3 H -1.797 -1.759 -4.845 1.00 . A A . 4 TRP HB3 1 1 17 3555 1 1 4 TRP HD1 H 0.133 -2.684 -6.548 1.00 . A A . 4 TRP HD1 1 1 17 3556 1 1 4 TRP HE1 H 0.835 -5.118 -7.041 1.00 . A A . 4 TRP HE1 1 1 17 3557 1 1 4 TRP HE3 H -1.742 -4.917 -2.364 1.00 . A A . 4 TRP HE3 1 1 17 3558 1 1 4 TRP HH2 H -0.308 -8.684 -3.769 1.00 . A A . 4 TRP HH2 1 1 17 3559 1 1 4 TRP HZ2 H 0.611 -7.653 -5.801 1.00 . A A . 4 TRP HZ2 1 1 17 3560 1 1 4 TRP HZ3 H -1.459 -7.343 -2.082 1.00 . A A . 4 TRP HZ3 1 1 17 3561 1 1 4 TRP N N -0.992 -0.176 -3.081 1.00 . A A . 4 TRP N 1 1 17 3562 1 1 4 TRP NE1 N 0.348 -4.843 -6.236 1.00 . A A . 4 TRP NE1 1 1 17 3563 1 1 4 TRP O O 0.966 -0.567 -5.146 1.00 . A A . 4 TRP O 1 1 17 3564 1 1 5 GLU C C 4.227 -2.848 -4.111 1.00 . A A . 5 GLU C 1 1 17 3565 1 1 5 GLU CA C 3.368 -1.591 -4.220 1.00 . A A . 5 GLU CA 1 1 17 3566 1 1 5 GLU CB C 4.111 -0.403 -3.606 1.00 . A A . 5 GLU CB 1 1 17 3567 1 1 5 GLU CD C 5.019 1.808 -4.423 1.00 . A A . 5 GLU CD 1 1 17 3568 1 1 5 GLU CG C 3.796 0.924 -4.278 1.00 . A A . 5 GLU CG 1 1 17 3569 1 1 5 GLU H H 2.005 -2.253 -2.737 1.00 . A A . 5 GLU H 1 1 17 3570 1 1 5 GLU HA H 3.193 -1.384 -5.265 1.00 . A A . 5 GLU HA 1 1 17 3571 1 1 5 GLU HB2 H 3.842 -0.325 -2.561 1.00 . A A . 5 GLU HB2 1 1 17 3572 1 1 5 GLU HB3 H 5.176 -0.579 -3.686 1.00 . A A . 5 GLU HB3 1 1 17 3573 1 1 5 GLU HG2 H 3.394 0.728 -5.261 1.00 . A A . 5 GLU HG2 1 1 17 3574 1 1 5 GLU HG3 H 3.059 1.446 -3.686 1.00 . A A . 5 GLU HG3 1 1 17 3575 1 1 5 GLU N N 2.067 -1.752 -3.578 1.00 . A A . 5 GLU N 1 1 17 3576 1 1 5 GLU O O 4.319 -3.461 -3.047 1.00 . A A . 5 GLU O 1 1 17 3577 1 1 5 GLU OE1 O 4.859 3.047 -4.415 1.00 . A A . 5 GLU OE1 1 1 17 3578 1 1 5 GLU OE2 O 6.136 1.263 -4.543 1.00 . A A . 5 GLU OE2 1 1 17 3579 1 1 6 ASN C C 5.161 -5.587 -4.579 1.00 . A A . 6 ASN C 1 1 17 3580 1 1 6 ASN CA C 5.772 -4.360 -5.251 1.00 . A A . 6 ASN CA 1 1 17 3581 1 1 6 ASN CB C 7.106 -4.018 -4.585 1.00 . A A . 6 ASN CB 1 1 17 3582 1 1 6 ASN CG C 8.233 -4.918 -5.054 1.00 . A A . 6 ASN CG 1 1 17 3583 1 1 6 ASN H H 4.782 -2.653 -6.018 1.00 . A A . 6 ASN H 1 1 17 3584 1 1 6 ASN HA H 5.956 -4.594 -6.289 1.00 . A A . 6 ASN HA 1 1 17 3585 1 1 6 ASN HB2 H 7.366 -2.995 -4.818 1.00 . A A . 6 ASN HB2 1 1 17 3586 1 1 6 ASN HB3 H 7.004 -4.128 -3.513 1.00 . A A . 6 ASN HB3 1 1 17 3587 1 1 6 ASN HD21 H 7.877 -4.418 -6.945 1.00 . A A . 6 ASN HD21 1 1 17 3588 1 1 6 ASN HD22 H 9.171 -5.534 -6.695 1.00 . A A . 6 ASN HD22 1 1 17 3589 1 1 6 ASN N N 4.881 -3.202 -5.212 1.00 . A A . 6 ASN N 1 1 17 3590 1 1 6 ASN ND2 N 8.449 -4.961 -6.363 1.00 . A A . 6 ASN ND2 1 1 17 3591 1 1 6 ASN O O 5.869 -6.373 -3.949 1.00 . A A . 6 ASN O 1 1 17 3592 1 1 6 ASN OD1 O 8.901 -5.566 -4.249 1.00 . A A . 6 ASN OD1 1 1 17 3593 1 1 7 GLY C C 2.872 -6.743 -2.666 1.00 . A A . 7 GLY C 1 1 17 3594 1 1 7 GLY CA C 3.200 -6.915 -4.139 1.00 . A A . 7 GLY CA 1 1 17 3595 1 1 7 GLY H H 3.336 -5.117 -5.252 1.00 . A A . 7 GLY H 1 1 17 3596 1 1 7 GLY HA2 H 2.290 -7.106 -4.677 1.00 . A A . 7 GLY HA2 1 1 17 3597 1 1 7 GLY HA3 H 3.849 -7.771 -4.250 1.00 . A A . 7 GLY HA3 1 1 17 3598 1 1 7 GLY N N 3.855 -5.763 -4.729 1.00 . A A . 7 GLY N 1 1 17 3599 1 1 7 GLY O O 2.682 -7.731 -1.956 1.00 . A A . 7 GLY O 1 1 17 3600 1 1 8 LYS C C 1.656 -3.997 -0.593 1.00 . A A . 8 LYS C 1 1 17 3601 1 1 8 LYS CA C 2.511 -5.250 -0.785 1.00 . A A . 8 LYS CA 1 1 17 3602 1 1 8 LYS CB C 3.808 -5.116 0.013 1.00 . A A . 8 LYS CB 1 1 17 3603 1 1 8 LYS CD C 3.967 -7.509 0.763 1.00 . A A . 8 LYS CD 1 1 17 3604 1 1 8 LYS CE C 3.729 -7.147 2.221 1.00 . A A . 8 LYS CE 1 1 17 3605 1 1 8 LYS CG C 4.654 -6.378 0.015 1.00 . A A . 8 LYS CG 1 1 17 3606 1 1 8 LYS H H 2.976 -4.745 -2.795 1.00 . A A . 8 LYS H 1 1 17 3607 1 1 8 LYS HA H 1.961 -6.101 -0.412 1.00 . A A . 8 LYS HA 1 1 17 3608 1 1 8 LYS HB2 H 4.396 -4.314 -0.409 1.00 . A A . 8 LYS HB2 1 1 17 3609 1 1 8 LYS HB3 H 3.564 -4.870 1.036 1.00 . A A . 8 LYS HB3 1 1 17 3610 1 1 8 LYS HD2 H 3.016 -7.713 0.294 1.00 . A A . 8 LYS HD2 1 1 17 3611 1 1 8 LYS HD3 H 4.590 -8.390 0.717 1.00 . A A . 8 LYS HD3 1 1 17 3612 1 1 8 LYS HE2 H 4.643 -6.746 2.633 1.00 . A A . 8 LYS HE2 1 1 17 3613 1 1 8 LYS HE3 H 2.953 -6.398 2.270 1.00 . A A . 8 LYS HE3 1 1 17 3614 1 1 8 LYS HG2 H 4.824 -6.687 -1.006 1.00 . A A . 8 LYS HG2 1 1 17 3615 1 1 8 LYS HG3 H 5.600 -6.165 0.491 1.00 . A A . 8 LYS HG3 1 1 17 3616 1 1 8 LYS HZ1 H 2.618 -8.045 3.745 1.00 . A A . 8 LYS HZ1 1 1 17 3617 1 1 8 LYS HZ2 H 4.138 -8.746 3.502 1.00 . A A . 8 LYS HZ2 1 1 17 3618 1 1 8 LYS HZ3 H 2.884 -9.049 2.408 1.00 . A A . 8 LYS HZ3 1 1 17 3619 1 1 8 LYS N N 2.811 -5.501 -2.193 1.00 . A A . 8 LYS N 1 1 17 3620 1 1 8 LYS NZ N 3.313 -8.329 3.025 1.00 . A A . 8 LYS NZ 1 1 17 3621 1 1 8 LYS O O 1.894 -2.965 -1.220 1.00 . A A . 8 LYS O 1 1 17 3622 1 1 9 TRP C C 0.422 -2.048 1.615 1.00 . A A . 9 TRP C 1 1 17 3623 1 1 9 TRP CA C -0.226 -2.986 0.598 1.00 . A A . 9 TRP CA 1 1 17 3624 1 1 9 TRP CB C -1.552 -3.517 1.154 1.00 . A A . 9 TRP CB 1 1 17 3625 1 1 9 TRP CD1 C -2.933 -5.145 -0.198 1.00 . A A . 9 TRP CD1 1 1 17 3626 1 1 9 TRP CD2 C -3.278 -3.013 -0.762 1.00 . A A . 9 TRP CD2 1 1 17 3627 1 1 9 TRP CE2 C -4.086 -3.828 -1.579 1.00 . A A . 9 TRP CE2 1 1 17 3628 1 1 9 TRP CE3 C -3.332 -1.625 -0.934 1.00 . A A . 9 TRP CE3 1 1 17 3629 1 1 9 TRP CG C -2.543 -3.888 0.104 1.00 . A A . 9 TRP CG 1 1 17 3630 1 1 9 TRP CH2 C -4.966 -1.943 -2.696 1.00 . A A . 9 TRP CH2 1 1 17 3631 1 1 9 TRP CZ2 C -4.934 -3.302 -2.551 1.00 . A A . 9 TRP CZ2 1 1 17 3632 1 1 9 TRP CZ3 C -4.176 -1.106 -1.898 1.00 . A A . 9 TRP CZ3 1 1 17 3633 1 1 9 TRP H H 0.540 -4.953 0.763 1.00 . A A . 9 TRP H 1 1 17 3634 1 1 9 TRP HA H -0.414 -2.444 -0.316 1.00 . A A . 9 TRP HA 1 1 17 3635 1 1 9 TRP HB2 H -1.354 -4.399 1.742 1.00 . A A . 9 TRP HB2 1 1 17 3636 1 1 9 TRP HB3 H -2.002 -2.777 1.781 1.00 . A A . 9 TRP HB3 1 1 17 3637 1 1 9 TRP HD1 H -2.553 -6.016 0.300 1.00 . A A . 9 TRP HD1 1 1 17 3638 1 1 9 TRP HE1 H -4.279 -5.917 -1.614 1.00 . A A . 9 TRP HE1 1 1 17 3639 1 1 9 TRP HE3 H -2.735 -0.961 -0.325 1.00 . A A . 9 TRP HE3 1 1 17 3640 1 1 9 TRP HH2 H -5.610 -1.493 -3.437 1.00 . A A . 9 TRP HH2 1 1 17 3641 1 1 9 TRP HZ2 H -5.550 -3.934 -3.174 1.00 . A A . 9 TRP HZ2 1 1 17 3642 1 1 9 TRP HZ3 H -4.230 -0.038 -2.045 1.00 . A A . 9 TRP HZ3 1 1 17 3643 1 1 9 TRP N N 0.667 -4.102 0.293 1.00 . A A . 9 TRP N 1 1 17 3644 1 1 9 TRP NE1 N -3.855 -5.128 -1.216 1.00 . A A . 9 TRP NE1 1 1 17 3645 1 1 9 TRP O O 0.857 -2.483 2.682 1.00 . A A . 9 TRP O 1 1 17 3646 1 1 10 THR C C 0.145 1.410 2.393 1.00 . A A . 10 THR C 1 1 17 3647 1 1 10 THR CA C 1.086 0.229 2.172 1.00 . A A . 10 THR CA 1 1 17 3648 1 1 10 THR CB C 2.414 0.723 1.596 1.00 . A A . 10 THR CB 1 1 17 3649 1 1 10 THR CG2 C 3.604 -0.095 2.050 1.00 . A A . 10 THR CG2 1 1 17 3650 1 1 10 THR H H 0.125 -0.473 0.419 1.00 . A A . 10 THR H 1 1 17 3651 1 1 10 THR HA H 1.272 -0.249 3.121 1.00 . A A . 10 THR HA 1 1 17 3652 1 1 10 THR HB H 2.574 1.744 1.911 1.00 . A A . 10 THR HB 1 1 17 3653 1 1 10 THR HG1 H 2.903 1.427 -0.165 1.00 . A A . 10 THR HG1 1 1 17 3654 1 1 10 THR HG21 H 3.262 -0.924 2.652 1.00 . A A . 10 THR HG21 1 1 17 3655 1 1 10 THR HG22 H 4.265 0.527 2.636 1.00 . A A . 10 THR HG22 1 1 17 3656 1 1 10 THR HG23 H 4.133 -0.470 1.187 1.00 . A A . 10 THR HG23 1 1 17 3657 1 1 10 THR N N 0.486 -0.762 1.282 1.00 . A A . 10 THR N 1 1 17 3658 1 1 10 THR O O -0.566 1.828 1.481 1.00 . A A . 10 THR O 1 1 17 3659 1 1 10 THR OG1 O 2.388 0.693 0.180 1.00 . A A . 10 THR OG1 1 1 17 3660 1 1 11 TRP C C -0.003 4.399 3.620 1.00 . A A . 11 TRP C 1 1 17 3661 1 1 11 TRP CA C -0.702 3.084 3.946 1.00 . A A . 11 TRP CA 1 1 17 3662 1 1 11 TRP CB C -1.079 3.048 5.430 1.00 . A A . 11 TRP CB 1 1 17 3663 1 1 11 TRP CD1 C -1.625 5.337 6.440 1.00 . A A . 11 TRP CD1 1 1 17 3664 1 1 11 TRP CD2 C -3.412 4.216 5.689 1.00 . A A . 11 TRP CD2 1 1 17 3665 1 1 11 TRP CE2 C -3.844 5.448 6.217 1.00 . A A . 11 TRP CE2 1 1 17 3666 1 1 11 TRP CE3 C -4.365 3.341 5.156 1.00 . A A . 11 TRP CE3 1 1 17 3667 1 1 11 TRP CG C -1.988 4.165 5.842 1.00 . A A . 11 TRP CG 1 1 17 3668 1 1 11 TRP CH2 C -6.094 4.949 5.700 1.00 . A A . 11 TRP CH2 1 1 17 3669 1 1 11 TRP CZ2 C -5.185 5.825 6.228 1.00 . A A . 11 TRP CZ2 1 1 17 3670 1 1 11 TRP CZ3 C -5.695 3.717 5.168 1.00 . A A . 11 TRP CZ3 1 1 17 3671 1 1 11 TRP H H 0.741 1.574 4.296 1.00 . A A . 11 TRP H 1 1 17 3672 1 1 11 TRP HA H -1.602 3.011 3.354 1.00 . A A . 11 TRP HA 1 1 17 3673 1 1 11 TRP HB2 H -1.581 2.115 5.645 1.00 . A A . 11 TRP HB2 1 1 17 3674 1 1 11 TRP HB3 H -0.176 3.114 6.024 1.00 . A A . 11 TRP HB3 1 1 17 3675 1 1 11 TRP HD1 H -0.609 5.602 6.693 1.00 . A A . 11 TRP HD1 1 1 17 3676 1 1 11 TRP HE1 H -2.733 7.000 7.088 1.00 . A A . 11 TRP HE1 1 1 17 3677 1 1 11 TRP HE3 H -4.077 2.386 4.741 1.00 . A A . 11 TRP HE3 1 1 17 3678 1 1 11 TRP HH2 H -7.144 5.201 5.689 1.00 . A A . 11 TRP HH2 1 1 17 3679 1 1 11 TRP HZ2 H -5.509 6.771 6.634 1.00 . A A . 11 TRP HZ2 1 1 17 3680 1 1 11 TRP HZ3 H -6.444 3.054 4.762 1.00 . A A . 11 TRP HZ3 1 1 17 3681 1 1 11 TRP N N 0.150 1.948 3.610 1.00 . A A . 11 TRP N 1 1 17 3682 1 1 11 TRP NE1 N -2.735 6.114 6.669 1.00 . A A . 11 TRP NE1 1 1 17 3683 1 1 11 TRP O O 0.850 4.864 4.375 1.00 . A A . 11 TRP O 1 1 17 3684 1 1 12 LYS C C -0.415 6.748 0.769 1.00 . A A . 12 LYS C 1 1 17 3685 1 1 12 LYS CA C 0.223 6.256 2.064 1.00 . A A . 12 LYS CA 1 1 17 3686 1 1 12 LYS CB C 1.733 6.094 1.874 1.00 . A A . 12 LYS CB 1 1 17 3687 1 1 12 LYS CD C 4.004 7.165 1.983 1.00 . A A . 12 LYS CD 1 1 17 3688 1 1 12 LYS CE C 4.298 7.907 0.690 1.00 . A A . 12 LYS CE 1 1 17 3689 1 1 12 LYS CG C 2.539 7.283 2.372 1.00 . A A . 12 LYS CG 1 1 17 3690 1 1 12 LYS H H -1.055 4.575 1.929 1.00 . A A . 12 LYS H 1 1 17 3691 1 1 12 LYS HA H 0.043 6.985 2.839 1.00 . A A . 12 LYS HA 1 1 17 3692 1 1 12 LYS HB2 H 2.059 5.215 2.411 1.00 . A A . 12 LYS HB2 1 1 17 3693 1 1 12 LYS HB3 H 1.941 5.960 0.823 1.00 . A A . 12 LYS HB3 1 1 17 3694 1 1 12 LYS HD2 H 4.611 7.583 2.772 1.00 . A A . 12 LYS HD2 1 1 17 3695 1 1 12 LYS HD3 H 4.249 6.121 1.853 1.00 . A A . 12 LYS HD3 1 1 17 3696 1 1 12 LYS HE2 H 3.808 7.393 -0.124 1.00 . A A . 12 LYS HE2 1 1 17 3697 1 1 12 LYS HE3 H 3.907 8.910 0.768 1.00 . A A . 12 LYS HE3 1 1 17 3698 1 1 12 LYS HG2 H 2.135 8.186 1.941 1.00 . A A . 12 LYS HG2 1 1 17 3699 1 1 12 LYS HG3 H 2.465 7.330 3.449 1.00 . A A . 12 LYS HG3 1 1 17 3700 1 1 12 LYS HZ1 H 6.068 7.118 -0.091 1.00 . A A . 12 LYS HZ1 1 1 17 3701 1 1 12 LYS HZ2 H 6.291 8.056 1.298 1.00 . A A . 12 LYS HZ2 1 1 17 3702 1 1 12 LYS HZ3 H 5.970 8.804 -0.184 1.00 . A A . 12 LYS HZ3 1 1 17 3703 1 1 12 LYS N N -0.370 4.994 2.490 1.00 . A A . 12 LYS N 1 1 17 3704 1 1 12 LYS NZ N 5.759 7.976 0.408 1.00 . A A . 12 LYS NZ 1 1 17 3705 1 1 12 LYS O O -1.527 6.349 0.422 1.00 . A A . 12 LYS O 1 1 17 3706 1 1 13 NH2 N N 0.226 7.706 0.109 1.00 . A A . 13 NH2 N 1 1 18 3707 1 1 1 SER C C -4.531 4.111 1.792 1.00 . A A . 1 SER C 1 1 18 3708 1 1 1 SER CA C -5.569 5.224 1.868 1.00 . A A . 1 SER CA 1 1 18 3709 1 1 1 SER CB C -5.668 5.948 0.524 1.00 . A A . 1 SER CB 1 1 18 3710 1 1 1 SER H1 H -4.855 5.694 3.740 1.00 . A A . 1 SER H1 1 1 18 3711 1 1 1 SER H2 H -6.081 6.744 3.157 1.00 . A A . 1 SER H2 1 1 18 3712 1 1 1 SER H3 H -4.488 6.847 2.527 1.00 . A A . 1 SER H3 1 1 18 3713 1 1 1 SER HA H -6.528 4.791 2.111 1.00 . A A . 1 SER HA 1 1 18 3714 1 1 1 SER HB2 H -4.985 6.784 0.517 1.00 . A A . 1 SER HB2 1 1 18 3715 1 1 1 SER HB3 H -5.407 5.264 -0.270 1.00 . A A . 1 SER HB3 1 1 18 3716 1 1 1 SER HG H -6.939 7.280 -0.145 1.00 . A A . 1 SER HG 1 1 18 3717 1 1 1 SER N N -5.216 6.217 2.918 1.00 . A A . 1 SER N 1 1 18 3718 1 1 1 SER O O -3.507 4.153 2.473 1.00 . A A . 1 SER O 1 1 18 3719 1 1 1 SER OG O -6.981 6.430 0.299 1.00 . A A . 1 SER OG 1 1 18 3720 1 1 2 TRP C C -3.223 2.019 -0.568 1.00 . A A . 2 TRP C 1 1 18 3721 1 1 2 TRP CA C -3.907 1.982 0.793 1.00 . A A . 2 TRP CA 1 1 18 3722 1 1 2 TRP CB C -4.681 0.676 0.950 1.00 . A A . 2 TRP CB 1 1 18 3723 1 1 2 TRP CD1 C -6.243 0.285 2.947 1.00 . A A . 2 TRP CD1 1 1 18 3724 1 1 2 TRP CD2 C -4.064 0.147 3.416 1.00 . A A . 2 TRP CD2 1 1 18 3725 1 1 2 TRP CE2 C -4.787 -0.090 4.598 1.00 . A A . 2 TRP CE2 1 1 18 3726 1 1 2 TRP CE3 C -2.674 0.116 3.455 1.00 . A A . 2 TRP CE3 1 1 18 3727 1 1 2 TRP CG C -5.007 0.376 2.376 1.00 . A A . 2 TRP CG 1 1 18 3728 1 1 2 TRP CH2 C -2.787 -0.377 5.820 1.00 . A A . 2 TRP CH2 1 1 18 3729 1 1 2 TRP CZ2 C -4.157 -0.355 5.811 1.00 . A A . 2 TRP CZ2 1 1 18 3730 1 1 2 TRP CZ3 C -2.048 -0.144 4.652 1.00 . A A . 2 TRP CZ3 1 1 18 3731 1 1 2 TRP H H -5.643 3.139 0.448 1.00 . A A . 2 TRP H 1 1 18 3732 1 1 2 TRP HA H -3.151 2.034 1.570 1.00 . A A . 2 TRP HA 1 1 18 3733 1 1 2 TRP HB2 H -5.602 0.736 0.394 1.00 . A A . 2 TRP HB2 1 1 18 3734 1 1 2 TRP HB3 H -4.085 -0.137 0.565 1.00 . A A . 2 TRP HB3 1 1 18 3735 1 1 2 TRP HD1 H -7.172 0.419 2.413 1.00 . A A . 2 TRP HD1 1 1 18 3736 1 1 2 TRP HE1 H -6.863 -0.123 4.914 1.00 . A A . 2 TRP HE1 1 1 18 3737 1 1 2 TRP HE3 H -2.088 0.292 2.565 1.00 . A A . 2 TRP HE3 1 1 18 3738 1 1 2 TRP HH2 H -2.254 -0.576 6.738 1.00 . A A . 2 TRP HH2 1 1 18 3739 1 1 2 TRP HZ2 H -4.714 -0.538 6.718 1.00 . A A . 2 TRP HZ2 1 1 18 3740 1 1 2 TRP HZ3 H -0.973 -0.163 4.694 1.00 . A A . 2 TRP HZ3 1 1 18 3741 1 1 2 TRP N N -4.808 3.115 0.960 1.00 . A A . 2 TRP N 1 1 18 3742 1 1 2 TRP NE1 N -6.120 -0.003 4.286 1.00 . A A . 2 TRP NE1 1 1 18 3743 1 1 2 TRP O O -3.876 2.170 -1.600 1.00 . A A . 2 TRP O 1 1 18 3744 1 1 3 THR C C -0.473 0.503 -1.985 1.00 . A A . 3 THR C 1 1 18 3745 1 1 3 THR CA C -1.126 1.864 -1.788 1.00 . A A . 3 THR CA 1 1 18 3746 1 1 3 THR CB C -0.059 2.960 -1.746 1.00 . A A . 3 THR CB 1 1 18 3747 1 1 3 THR CG2 C 0.791 2.920 -0.495 1.00 . A A . 3 THR CG2 1 1 18 3748 1 1 3 THR H H -1.447 1.739 0.296 1.00 . A A . 3 THR H 1 1 18 3749 1 1 3 THR HA H -1.799 2.054 -2.611 1.00 . A A . 3 THR HA 1 1 18 3750 1 1 3 THR HB H -0.547 3.924 -1.785 1.00 . A A . 3 THR HB 1 1 18 3751 1 1 3 THR HG1 H 0.484 3.411 -3.573 1.00 . A A . 3 THR HG1 1 1 18 3752 1 1 3 THR HG21 H 0.925 1.895 -0.183 1.00 . A A . 3 THR HG21 1 1 18 3753 1 1 3 THR HG22 H 0.300 3.475 0.291 1.00 . A A . 3 THR HG22 1 1 18 3754 1 1 3 THR HG23 H 1.754 3.363 -0.701 1.00 . A A . 3 THR HG23 1 1 18 3755 1 1 3 THR N N -1.906 1.866 -0.559 1.00 . A A . 3 THR N 1 1 18 3756 1 1 3 THR O O 0.171 -0.022 -1.078 1.00 . A A . 3 THR O 1 1 18 3757 1 1 3 THR OG1 O 0.809 2.856 -2.860 1.00 . A A . 3 THR OG1 1 1 18 3758 1 1 4 TRP C C 1.193 -1.216 -4.282 1.00 . A A . 4 TRP C 1 1 18 3759 1 1 4 TRP CA C -0.086 -1.375 -3.465 1.00 . A A . 4 TRP CA 1 1 18 3760 1 1 4 TRP CB C -1.145 -2.186 -4.214 1.00 . A A . 4 TRP CB 1 1 18 3761 1 1 4 TRP CD1 C -0.157 -3.464 -6.186 1.00 . A A . 4 TRP CD1 1 1 18 3762 1 1 4 TRP CD2 C -0.587 -4.728 -4.393 1.00 . A A . 4 TRP CD2 1 1 18 3763 1 1 4 TRP CE2 C -0.066 -5.554 -5.405 1.00 . A A . 4 TRP CE2 1 1 18 3764 1 1 4 TRP CE3 C -0.931 -5.298 -3.165 1.00 . A A . 4 TRP CE3 1 1 18 3765 1 1 4 TRP CG C -0.637 -3.400 -4.915 1.00 . A A . 4 TRP CG 1 1 18 3766 1 1 4 TRP CH2 C -0.230 -7.455 -4.011 1.00 . A A . 4 TRP CH2 1 1 18 3767 1 1 4 TRP CZ2 C 0.115 -6.923 -5.226 1.00 . A A . 4 TRP CZ2 1 1 18 3768 1 1 4 TRP CZ3 C -0.749 -6.654 -2.986 1.00 . A A . 4 TRP CZ3 1 1 18 3769 1 1 4 TRP H H -1.179 0.386 -3.853 1.00 . A A . 4 TRP H 1 1 18 3770 1 1 4 TRP HA H 0.146 -1.865 -2.532 1.00 . A A . 4 TRP HA 1 1 18 3771 1 1 4 TRP HB2 H -1.897 -2.508 -3.511 1.00 . A A . 4 TRP HB2 1 1 18 3772 1 1 4 TRP HB3 H -1.610 -1.548 -4.953 1.00 . A A . 4 TRP HB3 1 1 18 3773 1 1 4 TRP HD1 H -0.072 -2.610 -6.842 1.00 . A A . 4 TRP HD1 1 1 18 3774 1 1 4 TRP HE1 H 0.557 -5.062 -7.349 1.00 . A A . 4 TRP HE1 1 1 18 3775 1 1 4 TRP HE3 H -1.331 -4.695 -2.364 1.00 . A A . 4 TRP HE3 1 1 18 3776 1 1 4 TRP HH2 H -0.105 -8.512 -3.828 1.00 . A A . 4 TRP HH2 1 1 18 3777 1 1 4 TRP HZ2 H 0.514 -7.553 -6.006 1.00 . A A . 4 TRP HZ2 1 1 18 3778 1 1 4 TRP HZ3 H -1.006 -7.110 -2.040 1.00 . A A . 4 TRP HZ3 1 1 18 3779 1 1 4 TRP N N -0.650 -0.072 -3.166 1.00 . A A . 4 TRP N 1 1 18 3780 1 1 4 TRP NE1 N 0.188 -4.759 -6.494 1.00 . A A . 4 TRP NE1 1 1 18 3781 1 1 4 TRP O O 1.208 -0.518 -5.296 1.00 . A A . 4 TRP O 1 1 18 3782 1 1 5 GLU C C 4.321 -3.068 -4.519 1.00 . A A . 5 GLU C 1 1 18 3783 1 1 5 GLU CA C 3.553 -1.748 -4.514 1.00 . A A . 5 GLU CA 1 1 18 3784 1 1 5 GLU CB C 4.410 -0.658 -3.868 1.00 . A A . 5 GLU CB 1 1 18 3785 1 1 5 GLU CD C 5.713 1.455 -4.332 1.00 . A A . 5 GLU CD 1 1 18 3786 1 1 5 GLU CG C 5.273 0.103 -4.860 1.00 . A A . 5 GLU CG 1 1 18 3787 1 1 5 GLU H H 2.207 -2.380 -3.004 1.00 . A A . 5 GLU H 1 1 18 3788 1 1 5 GLU HA H 3.352 -1.465 -5.536 1.00 . A A . 5 GLU HA 1 1 18 3789 1 1 5 GLU HB2 H 3.758 0.050 -3.373 1.00 . A A . 5 GLU HB2 1 1 18 3790 1 1 5 GLU HB3 H 5.060 -1.115 -3.134 1.00 . A A . 5 GLU HB3 1 1 18 3791 1 1 5 GLU HG2 H 6.152 -0.484 -5.078 1.00 . A A . 5 GLU HG2 1 1 18 3792 1 1 5 GLU HG3 H 4.708 0.254 -5.768 1.00 . A A . 5 GLU HG3 1 1 18 3793 1 1 5 GLU N N 2.272 -1.850 -3.825 1.00 . A A . 5 GLU N 1 1 18 3794 1 1 5 GLU O O 4.683 -3.596 -3.468 1.00 . A A . 5 GLU O 1 1 18 3795 1 1 5 GLU OE1 O 5.759 2.417 -5.128 1.00 . A A . 5 GLU OE1 1 1 18 3796 1 1 5 GLU OE2 O 6.012 1.551 -3.123 1.00 . A A . 5 GLU OE2 1 1 18 3797 1 1 6 ASN C C 4.904 -5.927 -4.957 1.00 . A A . 6 ASN C 1 1 18 3798 1 1 6 ASN CA C 5.359 -4.805 -5.892 1.00 . A A . 6 ASN CA 1 1 18 3799 1 1 6 ASN CB C 6.848 -4.531 -5.679 1.00 . A A . 6 ASN CB 1 1 18 3800 1 1 6 ASN CG C 7.723 -5.333 -6.622 1.00 . A A . 6 ASN CG 1 1 18 3801 1 1 6 ASN H H 4.300 -3.082 -6.513 1.00 . A A . 6 ASN H 1 1 18 3802 1 1 6 ASN HA H 5.215 -5.132 -6.910 1.00 . A A . 6 ASN HA 1 1 18 3803 1 1 6 ASN HB2 H 7.042 -3.479 -5.845 1.00 . A A . 6 ASN HB2 1 1 18 3804 1 1 6 ASN HB3 H 7.114 -4.789 -4.662 1.00 . A A . 6 ASN HB3 1 1 18 3805 1 1 6 ASN HD21 H 7.218 -4.148 -8.137 1.00 . A A . 6 ASN HD21 1 1 18 3806 1 1 6 ASN HD22 H 8.311 -5.430 -8.519 1.00 . A A . 6 ASN HD22 1 1 18 3807 1 1 6 ASN N N 4.596 -3.571 -5.717 1.00 . A A . 6 ASN N 1 1 18 3808 1 1 6 ASN ND2 N 7.754 -4.929 -7.887 1.00 . A A . 6 ASN ND2 1 1 18 3809 1 1 6 ASN O O 5.726 -6.718 -4.493 1.00 . A A . 6 ASN O 1 1 18 3810 1 1 6 ASN OD1 O 8.363 -6.304 -6.219 1.00 . A A . 6 ASN OD1 1 1 18 3811 1 1 7 GLY C C 2.949 -6.687 -2.386 1.00 . A A . 7 GLY C 1 1 18 3812 1 1 7 GLY CA C 3.108 -7.081 -3.844 1.00 . A A . 7 GLY CA 1 1 18 3813 1 1 7 GLY H H 2.981 -5.379 -5.107 1.00 . A A . 7 GLY H 1 1 18 3814 1 1 7 GLY HA2 H 2.155 -7.408 -4.217 1.00 . A A . 7 GLY HA2 1 1 18 3815 1 1 7 GLY HA3 H 3.798 -7.911 -3.900 1.00 . A A . 7 GLY HA3 1 1 18 3816 1 1 7 GLY N N 3.604 -6.017 -4.700 1.00 . A A . 7 GLY N 1 1 18 3817 1 1 7 GLY O O 2.920 -7.556 -1.515 1.00 . A A . 7 GLY O 1 1 18 3818 1 1 8 LYS C C 1.778 -3.742 -0.584 1.00 . A A . 8 LYS C 1 1 18 3819 1 1 8 LYS CA C 2.707 -4.947 -0.718 1.00 . A A . 8 LYS CA 1 1 18 3820 1 1 8 LYS CB C 4.079 -4.615 -0.126 1.00 . A A . 8 LYS CB 1 1 18 3821 1 1 8 LYS CD C 3.508 -4.811 2.313 1.00 . A A . 8 LYS CD 1 1 18 3822 1 1 8 LYS CE C 3.612 -5.692 3.547 1.00 . A A . 8 LYS CE 1 1 18 3823 1 1 8 LYS CG C 4.369 -5.340 1.177 1.00 . A A . 8 LYS CG 1 1 18 3824 1 1 8 LYS H H 2.886 -4.730 -2.824 1.00 . A A . 8 LYS H 1 1 18 3825 1 1 8 LYS HA H 2.282 -5.768 -0.159 1.00 . A A . 8 LYS HA 1 1 18 3826 1 1 8 LYS HB2 H 4.841 -4.886 -0.841 1.00 . A A . 8 LYS HB2 1 1 18 3827 1 1 8 LYS HB3 H 4.133 -3.552 0.058 1.00 . A A . 8 LYS HB3 1 1 18 3828 1 1 8 LYS HD2 H 3.837 -3.814 2.566 1.00 . A A . 8 LYS HD2 1 1 18 3829 1 1 8 LYS HD3 H 2.479 -4.781 1.987 1.00 . A A . 8 LYS HD3 1 1 18 3830 1 1 8 LYS HE2 H 2.780 -5.474 4.200 1.00 . A A . 8 LYS HE2 1 1 18 3831 1 1 8 LYS HE3 H 3.566 -6.726 3.240 1.00 . A A . 8 LYS HE3 1 1 18 3832 1 1 8 LYS HG2 H 4.167 -6.392 1.046 1.00 . A A . 8 LYS HG2 1 1 18 3833 1 1 8 LYS HG3 H 5.410 -5.200 1.431 1.00 . A A . 8 LYS HG3 1 1 18 3834 1 1 8 LYS HZ1 H 5.670 -5.342 3.620 1.00 . A A . 8 LYS HZ1 1 1 18 3835 1 1 8 LYS HZ2 H 5.087 -6.272 4.907 1.00 . A A . 8 LYS HZ2 1 1 18 3836 1 1 8 LYS HZ3 H 4.804 -4.605 4.874 1.00 . A A . 8 LYS HZ3 1 1 18 3837 1 1 8 LYS N N 2.853 -5.391 -2.102 1.00 . A A . 8 LYS N 1 1 18 3838 1 1 8 LYS NZ N 4.882 -5.461 4.289 1.00 . A A . 8 LYS NZ 1 1 18 3839 1 1 8 LYS O O 1.919 -2.747 -1.296 1.00 . A A . 8 LYS O 1 1 18 3840 1 1 9 TRP C C 0.434 -1.845 1.716 1.00 . A A . 9 TRP C 1 1 18 3841 1 1 9 TRP CA C -0.113 -2.766 0.626 1.00 . A A . 9 TRP CA 1 1 18 3842 1 1 9 TRP CB C -1.455 -3.355 1.071 1.00 . A A . 9 TRP CB 1 1 18 3843 1 1 9 TRP CD1 C -2.752 -4.984 -0.369 1.00 . A A . 9 TRP CD1 1 1 18 3844 1 1 9 TRP CD2 C -2.991 -2.855 -1.002 1.00 . A A . 9 TRP CD2 1 1 18 3845 1 1 9 TRP CE2 C -3.743 -3.668 -1.872 1.00 . A A . 9 TRP CE2 1 1 18 3846 1 1 9 TRP CE3 C -2.994 -1.471 -1.203 1.00 . A A . 9 TRP CE3 1 1 18 3847 1 1 9 TRP CG C -2.358 -3.729 -0.056 1.00 . A A . 9 TRP CG 1 1 18 3848 1 1 9 TRP CH2 C -4.472 -1.786 -3.099 1.00 . A A . 9 TRP CH2 1 1 18 3849 1 1 9 TRP CZ2 C -4.488 -3.143 -2.926 1.00 . A A . 9 TRP CZ2 1 1 18 3850 1 1 9 TRP CZ3 C -3.735 -0.952 -2.249 1.00 . A A . 9 TRP CZ3 1 1 18 3851 1 1 9 TRP H H 0.794 -4.659 0.894 1.00 . A A . 9 TRP H 1 1 18 3852 1 1 9 TRP HA H -0.253 -2.200 -0.283 1.00 . A A . 9 TRP HA 1 1 18 3853 1 1 9 TRP HB2 H -1.269 -4.248 1.648 1.00 . A A . 9 TRP HB2 1 1 18 3854 1 1 9 TRP HB3 H -1.974 -2.648 1.685 1.00 . A A . 9 TRP HB3 1 1 18 3855 1 1 9 TRP HD1 H -2.442 -5.855 0.176 1.00 . A A . 9 TRP HD1 1 1 18 3856 1 1 9 TRP HE1 H -3.986 -5.752 -1.886 1.00 . A A . 9 TRP HE1 1 1 18 3857 1 1 9 TRP HE3 H -2.437 -0.809 -0.556 1.00 . A A . 9 TRP HE3 1 1 18 3858 1 1 9 TRP HH2 H -5.035 -1.337 -3.903 1.00 . A A . 9 TRP HH2 1 1 18 3859 1 1 9 TRP HZ2 H -5.062 -3.773 -3.590 1.00 . A A . 9 TRP HZ2 1 1 18 3860 1 1 9 TRP HZ3 H -3.748 0.113 -2.420 1.00 . A A . 9 TRP HZ3 1 1 18 3861 1 1 9 TRP N N 0.839 -3.841 0.356 1.00 . A A . 9 TRP N 1 1 18 3862 1 1 9 TRP NE1 N -3.579 -4.966 -1.466 1.00 . A A . 9 TRP NE1 1 1 18 3863 1 1 9 TRP O O 0.810 -2.306 2.793 1.00 . A A . 9 TRP O 1 1 18 3864 1 1 10 THR C C 0.011 1.570 2.606 1.00 . A A . 10 THR C 1 1 18 3865 1 1 10 THR CA C 0.996 0.423 2.399 1.00 . A A . 10 THR CA 1 1 18 3866 1 1 10 THR CB C 2.344 0.974 1.932 1.00 . A A . 10 THR CB 1 1 18 3867 1 1 10 THR CG2 C 3.306 1.248 3.068 1.00 . A A . 10 THR CG2 1 1 18 3868 1 1 10 THR H H 0.176 -0.234 0.558 1.00 . A A . 10 THR H 1 1 18 3869 1 1 10 THR HA H 1.135 -0.089 3.339 1.00 . A A . 10 THR HA 1 1 18 3870 1 1 10 THR HB H 2.179 1.904 1.407 1.00 . A A . 10 THR HB 1 1 18 3871 1 1 10 THR HG1 H 3.081 0.483 0.185 1.00 . A A . 10 THR HG1 1 1 18 3872 1 1 10 THR HG21 H 4.314 1.292 2.684 1.00 . A A . 10 THR HG21 1 1 18 3873 1 1 10 THR HG22 H 3.233 0.456 3.799 1.00 . A A . 10 THR HG22 1 1 18 3874 1 1 10 THR HG23 H 3.056 2.190 3.532 1.00 . A A . 10 THR HG23 1 1 18 3875 1 1 10 THR N N 0.484 -0.546 1.433 1.00 . A A . 10 THR N 1 1 18 3876 1 1 10 THR O O -0.672 1.989 1.674 1.00 . A A . 10 THR O 1 1 18 3877 1 1 10 THR OG1 O 2.975 0.068 1.044 1.00 . A A . 10 THR OG1 1 1 18 3878 1 1 11 TRP C C -0.254 4.519 3.989 1.00 . A A . 11 TRP C 1 1 18 3879 1 1 11 TRP CA C -0.955 3.176 4.159 1.00 . A A . 11 TRP CA 1 1 18 3880 1 1 11 TRP CB C -1.473 3.035 5.591 1.00 . A A . 11 TRP CB 1 1 18 3881 1 1 11 TRP CD1 C -2.203 5.221 6.709 1.00 . A A . 11 TRP CD1 1 1 18 3882 1 1 11 TRP CD2 C -3.850 4.140 5.646 1.00 . A A . 11 TRP CD2 1 1 18 3883 1 1 11 TRP CE2 C -4.378 5.315 6.214 1.00 . A A . 11 TRP CE2 1 1 18 3884 1 1 11 TRP CE3 C -4.705 3.298 4.926 1.00 . A A . 11 TRP CE3 1 1 18 3885 1 1 11 TRP CG C -2.456 4.099 5.975 1.00 . A A . 11 TRP CG 1 1 18 3886 1 1 11 TRP CH2 C -6.531 4.827 5.375 1.00 . A A . 11 TRP CH2 1 1 18 3887 1 1 11 TRP CZ2 C -5.719 5.669 6.084 1.00 . A A . 11 TRP CZ2 1 1 18 3888 1 1 11 TRP CZ3 C -6.035 3.651 4.798 1.00 . A A . 11 TRP CZ3 1 1 18 3889 1 1 11 TRP H H 0.518 1.702 4.536 1.00 . A A . 11 TRP H 1 1 18 3890 1 1 11 TRP HA H -1.791 3.131 3.477 1.00 . A A . 11 TRP HA 1 1 18 3891 1 1 11 TRP HB2 H -1.962 2.077 5.699 1.00 . A A . 11 TRP HB2 1 1 18 3892 1 1 11 TRP HB3 H -0.636 3.090 6.276 1.00 . A A . 11 TRP HB3 1 1 18 3893 1 1 11 TRP HD1 H -1.234 5.480 7.110 1.00 . A A . 11 TRP HD1 1 1 18 3894 1 1 11 TRP HE1 H -3.427 6.805 7.344 1.00 . A A . 11 TRP HE1 1 1 18 3895 1 1 11 TRP HE3 H -4.342 2.386 4.473 1.00 . A A . 11 TRP HE3 1 1 18 3896 1 1 11 TRP HH2 H -7.577 5.063 5.250 1.00 . A A . 11 TRP HH2 1 1 18 3897 1 1 11 TRP HZ2 H -6.116 6.573 6.522 1.00 . A A . 11 TRP HZ2 1 1 18 3898 1 1 11 TRP HZ3 H -6.710 3.013 4.246 1.00 . A A . 11 TRP HZ3 1 1 18 3899 1 1 11 TRP N N -0.054 2.076 3.834 1.00 . A A . 11 TRP N 1 1 18 3900 1 1 11 TRP NE1 N -3.353 5.958 6.857 1.00 . A A . 11 TRP NE1 1 1 18 3901 1 1 11 TRP O O 0.562 4.915 4.822 1.00 . A A . 11 TRP O 1 1 18 3902 1 1 12 LYS C C -0.580 7.137 1.371 1.00 . A A . 12 LYS C 1 1 18 3903 1 1 12 LYS CA C 0.025 6.515 2.625 1.00 . A A . 12 LYS CA 1 1 18 3904 1 1 12 LYS CB C 1.539 6.373 2.460 1.00 . A A . 12 LYS CB 1 1 18 3905 1 1 12 LYS CD C 2.331 8.716 2.016 1.00 . A A . 12 LYS CD 1 1 18 3906 1 1 12 LYS CE C 3.632 8.772 1.231 1.00 . A A . 12 LYS CE 1 1 18 3907 1 1 12 LYS CG C 2.324 7.558 3.000 1.00 . A A . 12 LYS CG 1 1 18 3908 1 1 12 LYS H H -1.232 4.848 2.276 1.00 . A A . 12 LYS H 1 1 18 3909 1 1 12 LYS HA H -0.177 7.161 3.467 1.00 . A A . 12 LYS HA 1 1 18 3910 1 1 12 LYS HB2 H 1.865 5.485 2.981 1.00 . A A . 12 LYS HB2 1 1 18 3911 1 1 12 LYS HB3 H 1.766 6.268 1.409 1.00 . A A . 12 LYS HB3 1 1 18 3912 1 1 12 LYS HD2 H 1.511 8.595 1.324 1.00 . A A . 12 LYS HD2 1 1 18 3913 1 1 12 LYS HD3 H 2.210 9.640 2.562 1.00 . A A . 12 LYS HD3 1 1 18 3914 1 1 12 LYS HE2 H 3.972 7.763 1.050 1.00 . A A . 12 LYS HE2 1 1 18 3915 1 1 12 LYS HE3 H 3.448 9.264 0.288 1.00 . A A . 12 LYS HE3 1 1 18 3916 1 1 12 LYS HG2 H 1.871 7.886 3.923 1.00 . A A . 12 LYS HG2 1 1 18 3917 1 1 12 LYS HG3 H 3.342 7.248 3.186 1.00 . A A . 12 LYS HG3 1 1 18 3918 1 1 12 LYS HZ1 H 5.631 9.142 1.715 1.00 . A A . 12 LYS HZ1 1 1 18 3919 1 1 12 LYS HZ2 H 4.555 9.413 2.992 1.00 . A A . 12 LYS HZ2 1 1 18 3920 1 1 12 LYS HZ3 H 4.656 10.525 1.722 1.00 . A A . 12 LYS HZ3 1 1 18 3921 1 1 12 LYS N N -0.576 5.216 2.904 1.00 . A A . 12 LYS N 1 1 18 3922 1 1 12 LYS NZ N 4.693 9.515 1.967 1.00 . A A . 12 LYS NZ 1 1 18 3923 1 1 12 LYS O O -0.721 8.357 1.278 1.00 . A A . 12 LYS O 1 1 18 3924 1 1 13 NH2 N N -0.821 6.321 0.352 1.00 . A A . 13 NH2 N 1 1 19 3925 1 1 1 SER C C -4.622 4.192 2.073 1.00 . A A . 1 SER C 1 1 19 3926 1 1 1 SER CA C -5.649 5.305 2.241 1.00 . A A . 1 SER CA 1 1 19 3927 1 1 1 SER CB C -6.057 5.860 0.874 1.00 . A A . 1 SER CB 1 1 19 3928 1 1 1 SER H1 H -5.912 6.934 3.471 1.00 . A A . 1 SER H1 1 1 19 3929 1 1 1 SER H2 H -4.544 7.031 2.438 1.00 . A A . 1 SER H2 1 1 19 3930 1 1 1 SER H3 H -4.515 6.001 3.810 1.00 . A A . 1 SER H3 1 1 19 3931 1 1 1 SER HA H -6.521 4.903 2.737 1.00 . A A . 1 SER HA 1 1 19 3932 1 1 1 SER HB2 H -5.444 6.717 0.639 1.00 . A A . 1 SER HB2 1 1 19 3933 1 1 1 SER HB3 H -5.914 5.098 0.122 1.00 . A A . 1 SER HB3 1 1 19 3934 1 1 1 SER HG H -7.972 5.498 0.678 1.00 . A A . 1 SER HG 1 1 19 3935 1 1 1 SER N N -5.106 6.418 3.064 1.00 . A A . 1 SER N 1 1 19 3936 1 1 1 SER O O -3.527 4.252 2.633 1.00 . A A . 1 SER O 1 1 19 3937 1 1 1 SER OG O -7.417 6.257 0.870 1.00 . A A . 1 SER OG 1 1 19 3938 1 1 2 TRP C C -3.581 2.039 -0.365 1.00 . A A . 2 TRP C 1 1 19 3939 1 1 2 TRP CA C -4.108 2.039 1.064 1.00 . A A . 2 TRP CA 1 1 19 3940 1 1 2 TRP CB C -4.854 0.738 1.343 1.00 . A A . 2 TRP CB 1 1 19 3941 1 1 2 TRP CD1 C -6.117 0.388 3.548 1.00 . A A . 2 TRP CD1 1 1 19 3942 1 1 2 TRP CD2 C -3.895 0.223 3.698 1.00 . A A . 2 TRP CD2 1 1 19 3943 1 1 2 TRP CE2 C -4.441 0.007 4.974 1.00 . A A . 2 TRP CE2 1 1 19 3944 1 1 2 TRP CE3 C -2.515 0.173 3.533 1.00 . A A . 2 TRP CE3 1 1 19 3945 1 1 2 TRP CG C -4.976 0.455 2.803 1.00 . A A . 2 TRP CG 1 1 19 3946 1 1 2 TRP CH2 C -2.288 -0.297 5.894 1.00 . A A . 2 TRP CH2 1 1 19 3947 1 1 2 TRP CZ2 C -3.643 -0.256 6.086 1.00 . A A . 2 TRP CZ2 1 1 19 3948 1 1 2 TRP CZ3 C -1.725 -0.084 4.628 1.00 . A A . 2 TRP CZ3 1 1 19 3949 1 1 2 TRP H H -5.877 3.185 0.891 1.00 . A A . 2 TRP H 1 1 19 3950 1 1 2 TRP HA H -3.268 2.111 1.749 1.00 . A A . 2 TRP HA 1 1 19 3951 1 1 2 TRP HB2 H -5.844 0.794 0.923 1.00 . A A . 2 TRP HB2 1 1 19 3952 1 1 2 TRP HB3 H -4.319 -0.081 0.888 1.00 . A A . 2 TRP HB3 1 1 19 3953 1 1 2 TRP HD1 H -7.111 0.531 3.153 1.00 . A A . 2 TRP HD1 1 1 19 3954 1 1 2 TRP HE1 H -6.448 0.007 5.590 1.00 . A A . 2 TRP HE1 1 1 19 3955 1 1 2 TRP HE3 H -2.063 0.334 2.566 1.00 . A A . 2 TRP HE3 1 1 19 3956 1 1 2 TRP HH2 H -1.628 -0.494 6.727 1.00 . A A . 2 TRP HH2 1 1 19 3957 1 1 2 TRP HZ2 H -4.064 -0.422 7.066 1.00 . A A . 2 TRP HZ2 1 1 19 3958 1 1 2 TRP HZ3 H -0.656 -0.117 4.513 1.00 . A A . 2 TRP HZ3 1 1 19 3959 1 1 2 TRP N N -4.988 3.175 1.304 1.00 . A A . 2 TRP N 1 1 19 3960 1 1 2 TRP NE1 N -5.804 0.111 4.859 1.00 . A A . 2 TRP NE1 1 1 19 3961 1 1 2 TRP O O -4.346 2.159 -1.322 1.00 . A A . 2 TRP O 1 1 19 3962 1 1 3 THR C C -0.845 0.555 -1.952 1.00 . A A . 3 THR C 1 1 19 3963 1 1 3 THR CA C -1.630 1.850 -1.804 1.00 . A A . 3 THR CA 1 1 19 3964 1 1 3 THR CB C -0.701 3.052 -1.980 1.00 . A A . 3 THR CB 1 1 19 3965 1 1 3 THR CG2 C -1.373 4.375 -1.681 1.00 . A A . 3 THR CG2 1 1 19 3966 1 1 3 THR H H -1.720 1.786 0.305 1.00 . A A . 3 THR H 1 1 19 3967 1 1 3 THR HA H -2.402 1.882 -2.558 1.00 . A A . 3 THR HA 1 1 19 3968 1 1 3 THR HB H -0.356 3.080 -3.004 1.00 . A A . 3 THR HB 1 1 19 3969 1 1 3 THR HG1 H 1.147 3.473 -1.486 1.00 . A A . 3 THR HG1 1 1 19 3970 1 1 3 THR HG21 H -0.795 5.178 -2.114 1.00 . A A . 3 THR HG21 1 1 19 3971 1 1 3 THR HG22 H -1.436 4.513 -0.612 1.00 . A A . 3 THR HG22 1 1 19 3972 1 1 3 THR HG23 H -2.366 4.378 -2.105 1.00 . A A . 3 THR HG23 1 1 19 3973 1 1 3 THR N N -2.271 1.888 -0.498 1.00 . A A . 3 THR N 1 1 19 3974 1 1 3 THR O O -0.055 0.198 -1.079 1.00 . A A . 3 THR O 1 1 19 3975 1 1 3 THR OG1 O 0.429 2.942 -1.133 1.00 . A A . 3 THR OG1 1 1 19 3976 1 1 4 TRP C C 0.924 -1.166 -4.030 1.00 . A A . 4 TRP C 1 1 19 3977 1 1 4 TRP CA C -0.384 -1.413 -3.282 1.00 . A A . 4 TRP CA 1 1 19 3978 1 1 4 TRP CB C -1.329 -2.324 -4.068 1.00 . A A . 4 TRP CB 1 1 19 3979 1 1 4 TRP CD1 C 0.010 -3.497 -5.897 1.00 . A A . 4 TRP CD1 1 1 19 3980 1 1 4 TRP CD2 C -0.710 -4.851 -4.270 1.00 . A A . 4 TRP CD2 1 1 19 3981 1 1 4 TRP CE2 C -0.010 -5.623 -5.212 1.00 . A A . 4 TRP CE2 1 1 19 3982 1 1 4 TRP CE3 C -1.257 -5.481 -3.151 1.00 . A A . 4 TRP CE3 1 1 19 3983 1 1 4 TRP CG C -0.686 -3.498 -4.728 1.00 . A A . 4 TRP CG 1 1 19 3984 1 1 4 TRP CH2 C -0.392 -7.592 -3.963 1.00 . A A . 4 TRP CH2 1 1 19 3985 1 1 4 TRP CZ2 C 0.154 -6.999 -5.070 1.00 . A A . 4 TRP CZ2 1 1 19 3986 1 1 4 TRP CZ3 C -1.092 -6.845 -3.008 1.00 . A A . 4 TRP CZ3 1 1 19 3987 1 1 4 TRP H H -1.713 0.168 -3.714 1.00 . A A . 4 TRP H 1 1 19 3988 1 1 4 TRP HA H -0.167 -1.862 -2.325 1.00 . A A . 4 TRP HA 1 1 19 3989 1 1 4 TRP HB2 H -2.082 -2.704 -3.395 1.00 . A A . 4 TRP HB2 1 1 19 3990 1 1 4 TRP HB3 H -1.814 -1.738 -4.836 1.00 . A A . 4 TRP HB3 1 1 19 3991 1 1 4 TRP HD1 H 0.198 -2.611 -6.487 1.00 . A A . 4 TRP HD1 1 1 19 3992 1 1 4 TRP HE1 H 0.938 -5.033 -6.992 1.00 . A A . 4 TRP HE1 1 1 19 3993 1 1 4 TRP HE3 H -1.796 -4.919 -2.404 1.00 . A A . 4 TRP HE3 1 1 19 3994 1 1 4 TRP HH2 H -0.288 -8.656 -3.813 1.00 . A A . 4 TRP HH2 1 1 19 3995 1 1 4 TRP HZ2 H 0.691 -7.589 -5.797 1.00 . A A . 4 TRP HZ2 1 1 19 3996 1 1 4 TRP HZ3 H -1.508 -7.349 -2.148 1.00 . A A . 4 TRP HZ3 1 1 19 3997 1 1 4 TRP N N -1.069 -0.155 -3.050 1.00 . A A . 4 TRP N 1 1 19 3998 1 1 4 TRP NE1 N 0.421 -4.774 -6.200 1.00 . A A . 4 TRP NE1 1 1 19 3999 1 1 4 TRP O O 0.942 -0.510 -5.071 1.00 . A A . 4 TRP O 1 1 19 4000 1 1 5 GLU C C 4.207 -2.751 -3.953 1.00 . A A . 5 GLU C 1 1 19 4001 1 1 5 GLU CA C 3.335 -1.505 -4.088 1.00 . A A . 5 GLU CA 1 1 19 4002 1 1 5 GLU CB C 4.044 -0.304 -3.458 1.00 . A A . 5 GLU CB 1 1 19 4003 1 1 5 GLU CD C 4.865 0.913 -5.514 1.00 . A A . 5 GLU CD 1 1 19 4004 1 1 5 GLU CG C 3.960 0.960 -4.299 1.00 . A A . 5 GLU CG 1 1 19 4005 1 1 5 GLU H H 1.941 -2.190 -2.644 1.00 . A A . 5 GLU H 1 1 19 4006 1 1 5 GLU HA H 3.184 -1.304 -5.138 1.00 . A A . 5 GLU HA 1 1 19 4007 1 1 5 GLU HB2 H 3.594 -0.100 -2.495 1.00 . A A . 5 GLU HB2 1 1 19 4008 1 1 5 GLU HB3 H 5.089 -0.548 -3.318 1.00 . A A . 5 GLU HB3 1 1 19 4009 1 1 5 GLU HG2 H 2.941 1.088 -4.633 1.00 . A A . 5 GLU HG2 1 1 19 4010 1 1 5 GLU HG3 H 4.246 1.803 -3.687 1.00 . A A . 5 GLU HG3 1 1 19 4011 1 1 5 GLU N N 2.019 -1.685 -3.480 1.00 . A A . 5 GLU N 1 1 19 4012 1 1 5 GLU O O 4.209 -3.412 -2.914 1.00 . A A . 5 GLU O 1 1 19 4013 1 1 5 GLU OE1 O 5.964 0.328 -5.413 1.00 . A A . 5 GLU OE1 1 1 19 4014 1 1 5 GLU OE2 O 4.475 1.460 -6.567 1.00 . A A . 5 GLU OE2 1 1 19 4015 1 1 6 ASN C C 5.237 -5.445 -4.446 1.00 . A A . 6 ASN C 1 1 19 4016 1 1 6 ASN CA C 5.888 -4.181 -5.002 1.00 . A A . 6 ASN CA 1 1 19 4017 1 1 6 ASN CB C 7.144 -3.848 -4.194 1.00 . A A . 6 ASN CB 1 1 19 4018 1 1 6 ASN CG C 8.407 -4.378 -4.845 1.00 . A A . 6 ASN CG 1 1 19 4019 1 1 6 ASN H H 4.941 -2.458 -5.787 1.00 . A A . 6 ASN H 1 1 19 4020 1 1 6 ASN HA H 6.176 -4.366 -6.026 1.00 . A A . 6 ASN HA 1 1 19 4021 1 1 6 ASN HB2 H 7.232 -2.774 -4.104 1.00 . A A . 6 ASN HB2 1 1 19 4022 1 1 6 ASN HB3 H 7.057 -4.286 -3.208 1.00 . A A . 6 ASN HB3 1 1 19 4023 1 1 6 ASN HD21 H 7.600 -6.189 -4.997 1.00 . A A . 6 ASN HD21 1 1 19 4024 1 1 6 ASN HD22 H 9.208 -6.030 -5.606 1.00 . A A . 6 ASN HD22 1 1 19 4025 1 1 6 ASN N N 4.973 -3.041 -5.000 1.00 . A A . 6 ASN N 1 1 19 4026 1 1 6 ASN ND2 N 8.405 -5.662 -5.184 1.00 . A A . 6 ASN ND2 1 1 19 4027 1 1 6 ASN O O 5.892 -6.245 -3.778 1.00 . A A . 6 ASN O 1 1 19 4028 1 1 6 ASN OD1 O 9.373 -3.641 -5.041 1.00 . A A . 6 ASN OD1 1 1 19 4029 1 1 7 GLY C C 2.854 -6.725 -2.796 1.00 . A A . 7 GLY C 1 1 19 4030 1 1 7 GLY CA C 3.262 -6.810 -4.257 1.00 . A A . 7 GLY CA 1 1 19 4031 1 1 7 GLY H H 3.481 -4.966 -5.277 1.00 . A A . 7 GLY H 1 1 19 4032 1 1 7 GLY HA2 H 2.382 -6.956 -4.856 1.00 . A A . 7 GLY HA2 1 1 19 4033 1 1 7 GLY HA3 H 3.911 -7.664 -4.385 1.00 . A A . 7 GLY HA3 1 1 19 4034 1 1 7 GLY N N 3.956 -5.629 -4.732 1.00 . A A . 7 GLY N 1 1 19 4035 1 1 7 GLY O O 2.614 -7.750 -2.159 1.00 . A A . 7 GLY O 1 1 19 4036 1 1 8 LYS C C 1.568 -4.070 -0.645 1.00 . A A . 8 LYS C 1 1 19 4037 1 1 8 LYS CA C 2.404 -5.332 -0.853 1.00 . A A . 8 LYS CA 1 1 19 4038 1 1 8 LYS CB C 3.656 -5.276 0.025 1.00 . A A . 8 LYS CB 1 1 19 4039 1 1 8 LYS CD C 3.004 -7.015 1.717 1.00 . A A . 8 LYS CD 1 1 19 4040 1 1 8 LYS CE C 3.123 -6.150 2.962 1.00 . A A . 8 LYS CE 1 1 19 4041 1 1 8 LYS CG C 4.016 -6.610 0.658 1.00 . A A . 8 LYS CG 1 1 19 4042 1 1 8 LYS H H 2.986 -4.724 -2.802 1.00 . A A . 8 LYS H 1 1 19 4043 1 1 8 LYS HA H 1.814 -6.188 -0.561 1.00 . A A . 8 LYS HA 1 1 19 4044 1 1 8 LYS HB2 H 4.491 -4.952 -0.579 1.00 . A A . 8 LYS HB2 1 1 19 4045 1 1 8 LYS HB3 H 3.496 -4.559 0.817 1.00 . A A . 8 LYS HB3 1 1 19 4046 1 1 8 LYS HD2 H 2.010 -6.908 1.311 1.00 . A A . 8 LYS HD2 1 1 19 4047 1 1 8 LYS HD3 H 3.176 -8.047 1.989 1.00 . A A . 8 LYS HD3 1 1 19 4048 1 1 8 LYS HE2 H 3.620 -5.229 2.698 1.00 . A A . 8 LYS HE2 1 1 19 4049 1 1 8 LYS HE3 H 2.130 -5.930 3.327 1.00 . A A . 8 LYS HE3 1 1 19 4050 1 1 8 LYS HG2 H 4.040 -7.368 -0.111 1.00 . A A . 8 LYS HG2 1 1 19 4051 1 1 8 LYS HG3 H 4.991 -6.529 1.116 1.00 . A A . 8 LYS HG3 1 1 19 4052 1 1 8 LYS HZ1 H 4.893 -6.529 4.004 1.00 . A A . 8 LYS HZ1 1 1 19 4053 1 1 8 LYS HZ2 H 3.851 -7.859 3.917 1.00 . A A . 8 LYS HZ2 1 1 19 4054 1 1 8 LYS HZ3 H 3.504 -6.581 4.970 1.00 . A A . 8 LYS HZ3 1 1 19 4055 1 1 8 LYS N N 2.780 -5.511 -2.254 1.00 . A A . 8 LYS N 1 1 19 4056 1 1 8 LYS NZ N 3.897 -6.827 4.038 1.00 . A A . 8 LYS NZ 1 1 19 4057 1 1 8 LYS O O 1.801 -3.044 -1.282 1.00 . A A . 8 LYS O 1 1 19 4058 1 1 9 TRP C C 0.394 -2.098 1.584 1.00 . A A . 9 TRP C 1 1 19 4059 1 1 9 TRP CA C -0.277 -3.032 0.577 1.00 . A A . 9 TRP CA 1 1 19 4060 1 1 9 TRP CB C -1.603 -3.545 1.147 1.00 . A A . 9 TRP CB 1 1 19 4061 1 1 9 TRP CD1 C -2.994 -5.143 -0.227 1.00 . A A . 9 TRP CD1 1 1 19 4062 1 1 9 TRP CD2 C -3.377 -2.999 -0.713 1.00 . A A . 9 TRP CD2 1 1 19 4063 1 1 9 TRP CE2 C -4.193 -3.796 -1.539 1.00 . A A . 9 TRP CE2 1 1 19 4064 1 1 9 TRP CE3 C -3.451 -1.607 -0.838 1.00 . A A . 9 TRP CE3 1 1 19 4065 1 1 9 TRP CG C -2.613 -3.893 0.108 1.00 . A A . 9 TRP CG 1 1 19 4066 1 1 9 TRP CH2 C -5.120 -1.887 -2.574 1.00 . A A . 9 TRP CH2 1 1 19 4067 1 1 9 TRP CZ2 C -5.069 -3.251 -2.474 1.00 . A A . 9 TRP CZ2 1 1 19 4068 1 1 9 TRP CZ3 C -4.322 -1.067 -1.766 1.00 . A A . 9 TRP CZ3 1 1 19 4069 1 1 9 TRP H H 0.470 -5.007 0.739 1.00 . A A . 9 TRP H 1 1 19 4070 1 1 9 TRP HA H -0.468 -2.489 -0.335 1.00 . A A . 9 TRP HA 1 1 19 4071 1 1 9 TRP HB2 H -1.412 -4.435 1.726 1.00 . A A . 9 TRP HB2 1 1 19 4072 1 1 9 TRP HB3 H -2.034 -2.804 1.785 1.00 . A A . 9 TRP HB3 1 1 19 4073 1 1 9 TRP HD1 H -2.593 -6.024 0.234 1.00 . A A . 9 TRP HD1 1 1 19 4074 1 1 9 TRP HE1 H -4.363 -5.886 -1.637 1.00 . A A . 9 TRP HE1 1 1 19 4075 1 1 9 TRP HE3 H -2.849 -0.955 -0.221 1.00 . A A . 9 TRP HE3 1 1 19 4076 1 1 9 TRP HH2 H -5.785 -1.422 -3.285 1.00 . A A . 9 TRP HH2 1 1 19 4077 1 1 9 TRP HZ2 H -5.690 -3.869 -3.104 1.00 . A A . 9 TRP HZ2 1 1 19 4078 1 1 9 TRP HZ3 H -4.392 0.004 -1.877 1.00 . A A . 9 TRP HZ3 1 1 19 4079 1 1 9 TRP N N 0.598 -4.159 0.263 1.00 . A A . 9 TRP N 1 1 19 4080 1 1 9 TRP NE1 N -3.939 -5.105 -1.223 1.00 . A A . 9 TRP NE1 1 1 19 4081 1 1 9 TRP O O 0.836 -2.535 2.647 1.00 . A A . 9 TRP O 1 1 19 4082 1 1 10 THR C C 0.161 1.364 2.352 1.00 . A A . 10 THR C 1 1 19 4083 1 1 10 THR CA C 1.088 0.173 2.124 1.00 . A A . 10 THR CA 1 1 19 4084 1 1 10 THR CB C 2.413 0.653 1.531 1.00 . A A . 10 THR CB 1 1 19 4085 1 1 10 THR CG2 C 3.600 -0.178 1.968 1.00 . A A . 10 THR CG2 1 1 19 4086 1 1 10 THR H H 0.099 -0.525 0.385 1.00 . A A . 10 THR H 1 1 19 4087 1 1 10 THR HA H 1.281 -0.303 3.074 1.00 . A A . 10 THR HA 1 1 19 4088 1 1 10 THR HB H 2.589 1.672 1.846 1.00 . A A . 10 THR HB 1 1 19 4089 1 1 10 THR HG1 H 2.318 -0.283 -0.186 1.00 . A A . 10 THR HG1 1 1 19 4090 1 1 10 THR HG21 H 4.357 -0.159 1.197 1.00 . A A . 10 THR HG21 1 1 19 4091 1 1 10 THR HG22 H 3.284 -1.197 2.137 1.00 . A A . 10 THR HG22 1 1 19 4092 1 1 10 THR HG23 H 4.008 0.229 2.882 1.00 . A A . 10 THR HG23 1 1 19 4093 1 1 10 THR N N 0.468 -0.815 1.245 1.00 . A A . 10 THR N 1 1 19 4094 1 1 10 THR O O -0.608 1.741 1.469 1.00 . A A . 10 THR O 1 1 19 4095 1 1 10 THR OG1 O 2.368 0.627 0.116 1.00 . A A . 10 THR OG1 1 1 19 4096 1 1 11 TRP C C 0.128 4.407 3.547 1.00 . A A . 11 TRP C 1 1 19 4097 1 1 11 TRP CA C -0.591 3.104 3.882 1.00 . A A . 11 TRP CA 1 1 19 4098 1 1 11 TRP CB C -0.956 3.076 5.368 1.00 . A A . 11 TRP CB 1 1 19 4099 1 1 11 TRP CD1 C -1.431 5.391 6.356 1.00 . A A . 11 TRP CD1 1 1 19 4100 1 1 11 TRP CD2 C -3.260 4.290 5.681 1.00 . A A . 11 TRP CD2 1 1 19 4101 1 1 11 TRP CE2 C -3.653 5.538 6.201 1.00 . A A . 11 TRP CE2 1 1 19 4102 1 1 11 TRP CE3 C -4.245 3.423 5.194 1.00 . A A . 11 TRP CE3 1 1 19 4103 1 1 11 TRP CG C -1.833 4.216 5.789 1.00 . A A . 11 TRP CG 1 1 19 4104 1 1 11 TRP CH2 C -5.927 5.072 5.765 1.00 . A A . 11 TRP CH2 1 1 19 4105 1 1 11 TRP CZ2 C -4.986 5.939 6.248 1.00 . A A . 11 TRP CZ2 1 1 19 4106 1 1 11 TRP CZ3 C -5.567 3.823 5.242 1.00 . A A . 11 TRP CZ3 1 1 19 4107 1 1 11 TRP H H 0.875 1.610 4.204 1.00 . A A . 11 TRP H 1 1 19 4108 1 1 11 TRP HA H -1.496 3.044 3.296 1.00 . A A . 11 TRP HA 1 1 19 4109 1 1 11 TRP HB2 H -1.481 2.157 5.586 1.00 . A A . 11 TRP HB2 1 1 19 4110 1 1 11 TRP HB3 H -0.048 3.118 5.955 1.00 . A A . 11 TRP HB3 1 1 19 4111 1 1 11 TRP HD1 H -0.403 5.642 6.571 1.00 . A A . 11 TRP HD1 1 1 19 4112 1 1 11 TRP HE1 H -2.488 7.084 7.009 1.00 . A A . 11 TRP HE1 1 1 19 4113 1 1 11 TRP HE3 H -3.988 2.457 4.786 1.00 . A A . 11 TRP HE3 1 1 19 4114 1 1 11 TRP HH2 H -6.972 5.342 5.783 1.00 . A A . 11 TRP HH2 1 1 19 4115 1 1 11 TRP HZ2 H -5.280 6.898 6.648 1.00 . A A . 11 TRP HZ2 1 1 19 4116 1 1 11 TRP HZ3 H -6.340 3.167 4.871 1.00 . A A . 11 TRP HZ3 1 1 19 4117 1 1 11 TRP N N 0.241 1.954 3.541 1.00 . A A . 11 TRP N 1 1 19 4118 1 1 11 TRP NE1 N -2.519 6.191 6.606 1.00 . A A . 11 TRP NE1 1 1 19 4119 1 1 11 TRP O O 0.995 4.859 4.294 1.00 . A A . 11 TRP O 1 1 19 4120 1 1 12 LYS C C -0.351 6.824 0.768 1.00 . A A . 12 LYS C 1 1 19 4121 1 1 12 LYS CA C 0.374 6.255 1.984 1.00 . A A . 12 LYS CA 1 1 19 4122 1 1 12 LYS CB C 1.851 6.034 1.656 1.00 . A A . 12 LYS CB 1 1 19 4123 1 1 12 LYS CD C 4.167 7.001 1.522 1.00 . A A . 12 LYS CD 1 1 19 4124 1 1 12 LYS CE C 4.769 8.242 0.882 1.00 . A A . 12 LYS CE 1 1 19 4125 1 1 12 LYS CG C 2.729 7.238 1.955 1.00 . A A . 12 LYS CG 1 1 19 4126 1 1 12 LYS H H -0.934 4.596 1.863 1.00 . A A . 12 LYS H 1 1 19 4127 1 1 12 LYS HA H 0.297 6.962 2.797 1.00 . A A . 12 LYS HA 1 1 19 4128 1 1 12 LYS HB2 H 2.215 5.197 2.234 1.00 . A A . 12 LYS HB2 1 1 19 4129 1 1 12 LYS HB3 H 1.943 5.800 0.605 1.00 . A A . 12 LYS HB3 1 1 19 4130 1 1 12 LYS HD2 H 4.755 6.736 2.388 1.00 . A A . 12 LYS HD2 1 1 19 4131 1 1 12 LYS HD3 H 4.189 6.191 0.807 1.00 . A A . 12 LYS HD3 1 1 19 4132 1 1 12 LYS HE2 H 3.967 8.875 0.532 1.00 . A A . 12 LYS HE2 1 1 19 4133 1 1 12 LYS HE3 H 5.347 8.771 1.625 1.00 . A A . 12 LYS HE3 1 1 19 4134 1 1 12 LYS HG2 H 2.341 8.095 1.424 1.00 . A A . 12 LYS HG2 1 1 19 4135 1 1 12 LYS HG3 H 2.709 7.431 3.017 1.00 . A A . 12 LYS HG3 1 1 19 4136 1 1 12 LYS HZ1 H 5.994 8.770 -0.726 1.00 . A A . 12 LYS HZ1 1 1 19 4137 1 1 12 LYS HZ2 H 5.129 7.337 -0.967 1.00 . A A . 12 LYS HZ2 1 1 19 4138 1 1 12 LYS HZ3 H 6.471 7.351 0.062 1.00 . A A . 12 LYS HZ3 1 1 19 4139 1 1 12 LYS N N -0.238 5.005 2.418 1.00 . A A . 12 LYS N 1 1 19 4140 1 1 12 LYS NZ N 5.653 7.901 -0.268 1.00 . A A . 12 LYS NZ 1 1 19 4141 1 1 12 LYS O O -1.131 7.769 0.884 1.00 . A A . 12 LYS O 1 1 19 4142 1 1 13 NH2 N N -0.010 6.333 -0.418 1.00 . A A . 13 NH2 N 1 1 20 4143 1 1 1 SER C C -4.578 4.054 1.859 1.00 . A A . 1 SER C 1 1 20 4144 1 1 1 SER CA C -5.631 5.150 1.959 1.00 . A A . 1 SER CA 1 1 20 4145 1 1 1 SER CB C -5.846 5.803 0.592 1.00 . A A . 1 SER CB 1 1 20 4146 1 1 1 SER H1 H -4.554 6.834 2.448 1.00 . A A . 1 SER H1 1 1 20 4147 1 1 1 SER H2 H -4.776 5.726 3.739 1.00 . A A . 1 SER H2 1 1 20 4148 1 1 1 SER H3 H -6.080 6.713 3.219 1.00 . A A . 1 SER H3 1 1 20 4149 1 1 1 SER HA H -6.561 4.712 2.294 1.00 . A A . 1 SER HA 1 1 20 4150 1 1 1 SER HB2 H -6.433 5.145 -0.031 1.00 . A A . 1 SER HB2 1 1 20 4151 1 1 1 SER HB3 H -6.371 6.739 0.721 1.00 . A A . 1 SER HB3 1 1 20 4152 1 1 1 SER HG H -4.535 6.996 -0.241 1.00 . A A . 1 SER HG 1 1 20 4153 1 1 1 SER N N -5.224 6.201 2.929 1.00 . A A . 1 SER N 1 1 20 4154 1 1 1 SER O O -3.539 4.113 2.515 1.00 . A A . 1 SER O 1 1 20 4155 1 1 1 SER OG O -4.610 6.058 -0.052 1.00 . A A . 1 SER OG 1 1 20 4156 1 1 2 TRP C C -3.296 1.975 -0.528 1.00 . A A . 2 TRP C 1 1 20 4157 1 1 2 TRP CA C -3.946 1.932 0.849 1.00 . A A . 2 TRP CA 1 1 20 4158 1 1 2 TRP CB C -4.697 0.615 1.027 1.00 . A A . 2 TRP CB 1 1 20 4159 1 1 2 TRP CD1 C -6.215 0.213 3.055 1.00 . A A . 2 TRP CD1 1 1 20 4160 1 1 2 TRP CD2 C -4.026 0.107 3.483 1.00 . A A . 2 TRP CD2 1 1 20 4161 1 1 2 TRP CE2 C -4.722 -0.133 4.679 1.00 . A A . 2 TRP CE2 1 1 20 4162 1 1 2 TRP CE3 C -2.634 0.096 3.495 1.00 . A A . 2 TRP CE3 1 1 20 4163 1 1 2 TRP CG C -4.992 0.318 2.460 1.00 . A A . 2 TRP CG 1 1 20 4164 1 1 2 TRP CH2 C -2.695 -0.386 5.864 1.00 . A A . 2 TRP CH2 1 1 20 4165 1 1 2 TRP CZ2 C -4.065 -0.382 5.882 1.00 . A A . 2 TRP CZ2 1 1 20 4166 1 1 2 TRP CZ3 C -1.982 -0.148 4.681 1.00 . A A . 2 TRP CZ3 1 1 20 4167 1 1 2 TRP H H -5.708 3.061 0.545 1.00 . A A . 2 TRP H 1 1 20 4168 1 1 2 TRP HA H -3.172 1.996 1.607 1.00 . A A . 2 TRP HA 1 1 20 4169 1 1 2 TRP HB2 H -5.630 0.658 0.489 1.00 . A A . 2 TRP HB2 1 1 20 4170 1 1 2 TRP HB3 H -4.096 -0.192 0.634 1.00 . A A . 2 TRP HB3 1 1 20 4171 1 1 2 TRP HD1 H -7.155 0.331 2.539 1.00 . A A . 2 TRP HD1 1 1 20 4172 1 1 2 TRP HE1 H -6.790 -0.192 5.037 1.00 . A A . 2 TRP HE1 1 1 20 4173 1 1 2 TRP HE3 H -2.068 0.275 2.593 1.00 . A A . 2 TRP HE3 1 1 20 4174 1 1 2 TRP HH2 H -2.142 -0.572 6.773 1.00 . A A . 2 TRP HH2 1 1 20 4175 1 1 2 TRP HZ2 H -4.602 -0.567 6.801 1.00 . A A . 2 TRP HZ2 1 1 20 4176 1 1 2 TRP HZ3 H -0.906 -0.153 4.702 1.00 . A A . 2 TRP HZ3 1 1 20 4177 1 1 2 TRP N N -4.860 3.051 1.036 1.00 . A A . 2 TRP N 1 1 20 4178 1 1 2 TRP NE1 N -6.062 -0.065 4.394 1.00 . A A . 2 TRP NE1 1 1 20 4179 1 1 2 TRP O O -3.971 2.165 -1.541 1.00 . A A . 2 TRP O 1 1 20 4180 1 1 3 THR C C -0.552 0.441 -2.001 1.00 . A A . 3 THR C 1 1 20 4181 1 1 3 THR CA C -1.235 1.787 -1.805 1.00 . A A . 3 THR CA 1 1 20 4182 1 1 3 THR CB C -0.197 2.910 -1.805 1.00 . A A . 3 THR CB 1 1 20 4183 1 1 3 THR CG2 C -0.811 4.293 -1.845 1.00 . A A . 3 THR CG2 1 1 20 4184 1 1 3 THR H H -1.507 1.631 0.284 1.00 . A A . 3 THR H 1 1 20 4185 1 1 3 THR HA H -1.933 1.948 -2.614 1.00 . A A . 3 THR HA 1 1 20 4186 1 1 3 THR HB H 0.434 2.803 -2.676 1.00 . A A . 3 THR HB 1 1 20 4187 1 1 3 THR HG1 H 0.096 3.031 0.127 1.00 . A A . 3 THR HG1 1 1 20 4188 1 1 3 THR HG21 H -1.615 4.350 -1.126 1.00 . A A . 3 THR HG21 1 1 20 4189 1 1 3 THR HG22 H -1.197 4.487 -2.834 1.00 . A A . 3 THR HG22 1 1 20 4190 1 1 3 THR HG23 H -0.058 5.028 -1.601 1.00 . A A . 3 THR HG23 1 1 20 4191 1 1 3 THR N N -1.984 1.786 -0.557 1.00 . A A . 3 THR N 1 1 20 4192 1 1 3 THR O O 0.132 -0.053 -1.105 1.00 . A A . 3 THR O 1 1 20 4193 1 1 3 THR OG1 O 0.622 2.836 -0.651 1.00 . A A . 3 THR OG1 1 1 20 4194 1 1 4 TRP C C 1.144 -1.259 -4.253 1.00 . A A . 4 TRP C 1 1 20 4195 1 1 4 TRP CA C -0.150 -1.447 -3.464 1.00 . A A . 4 TRP CA 1 1 20 4196 1 1 4 TRP CB C -1.176 -2.274 -4.241 1.00 . A A . 4 TRP CB 1 1 20 4197 1 1 4 TRP CD1 C -0.109 -3.509 -6.199 1.00 . A A . 4 TRP CD1 1 1 20 4198 1 1 4 TRP CD2 C -0.567 -4.805 -4.435 1.00 . A A . 4 TRP CD2 1 1 20 4199 1 1 4 TRP CE2 C -0.001 -5.607 -5.442 1.00 . A A . 4 TRP CE2 1 1 20 4200 1 1 4 TRP CE3 C -0.937 -5.397 -3.225 1.00 . A A . 4 TRP CE3 1 1 20 4201 1 1 4 TRP CG C -0.627 -3.471 -4.942 1.00 . A A . 4 TRP CG 1 1 20 4202 1 1 4 TRP CH2 C -0.170 -7.530 -4.079 1.00 . A A . 4 TRP CH2 1 1 20 4203 1 1 4 TRP CZ2 C 0.200 -6.974 -5.275 1.00 . A A . 4 TRP CZ2 1 1 20 4204 1 1 4 TRP CZ3 C -0.734 -6.753 -3.059 1.00 . A A . 4 TRP CZ3 1 1 20 4205 1 1 4 TRP H H -1.301 0.277 -3.849 1.00 . A A . 4 TRP H 1 1 20 4206 1 1 4 TRP HA H 0.072 -1.939 -2.529 1.00 . A A . 4 TRP HA 1 1 20 4207 1 1 4 TRP HB2 H -1.934 -2.619 -3.556 1.00 . A A . 4 TRP HB2 1 1 20 4208 1 1 4 TRP HB3 H -1.640 -1.640 -4.984 1.00 . A A . 4 TRP HB3 1 1 20 4209 1 1 4 TRP HD1 H -0.020 -2.645 -6.841 1.00 . A A . 4 TRP HD1 1 1 20 4210 1 1 4 TRP HE1 H 0.669 -5.078 -7.361 1.00 . A A . 4 TRP HE1 1 1 20 4211 1 1 4 TRP HE3 H -1.372 -4.814 -2.428 1.00 . A A . 4 TRP HE3 1 1 20 4212 1 1 4 TRP HH2 H -0.030 -8.586 -3.906 1.00 . A A . 4 TRP HH2 1 1 20 4213 1 1 4 TRP HZ2 H 0.634 -7.587 -6.052 1.00 . A A . 4 TRP HZ2 1 1 20 4214 1 1 4 TRP HZ3 H -1.010 -7.226 -2.127 1.00 . A A . 4 TRP HZ3 1 1 20 4215 1 1 4 TRP N N -0.743 -0.156 -3.169 1.00 . A A . 4 TRP N 1 1 20 4216 1 1 4 TRP NE1 N 0.269 -4.793 -6.513 1.00 . A A . 4 TRP NE1 1 1 20 4217 1 1 4 TRP O O 1.168 -0.550 -5.259 1.00 . A A . 4 TRP O 1 1 20 4218 1 1 5 GLU C C 4.313 -3.049 -4.446 1.00 . A A . 5 GLU C 1 1 20 4219 1 1 5 GLU CA C 3.519 -1.744 -4.441 1.00 . A A . 5 GLU CA 1 1 20 4220 1 1 5 GLU CB C 4.341 -0.645 -3.766 1.00 . A A . 5 GLU CB 1 1 20 4221 1 1 5 GLU CD C 4.797 1.787 -4.275 1.00 . A A . 5 GLU CD 1 1 20 4222 1 1 5 GLU CG C 3.750 0.745 -3.931 1.00 . A A . 5 GLU CG 1 1 20 4223 1 1 5 GLU H H 2.154 -2.416 -2.964 1.00 . A A . 5 GLU H 1 1 20 4224 1 1 5 GLU HA H 3.333 -1.453 -5.463 1.00 . A A . 5 GLU HA 1 1 20 4225 1 1 5 GLU HB2 H 4.408 -0.860 -2.707 1.00 . A A . 5 GLU HB2 1 1 20 4226 1 1 5 GLU HB3 H 5.336 -0.644 -4.191 1.00 . A A . 5 GLU HB3 1 1 20 4227 1 1 5 GLU HG2 H 3.017 0.719 -4.724 1.00 . A A . 5 GLU HG2 1 1 20 4228 1 1 5 GLU HG3 H 3.269 1.030 -3.007 1.00 . A A . 5 GLU HG3 1 1 20 4229 1 1 5 GLU N N 2.225 -1.877 -3.779 1.00 . A A . 5 GLU N 1 1 20 4230 1 1 5 GLU O O 4.663 -3.583 -3.394 1.00 . A A . 5 GLU O 1 1 20 4231 1 1 5 GLU OE1 O 5.976 1.585 -3.916 1.00 . A A . 5 GLU OE1 1 1 20 4232 1 1 5 GLU OE2 O 4.437 2.804 -4.905 1.00 . A A . 5 GLU OE2 1 1 20 4233 1 1 6 ASN C C 4.965 -5.891 -4.914 1.00 . A A . 6 ASN C 1 1 20 4234 1 1 6 ASN CA C 5.414 -4.745 -5.822 1.00 . A A . 6 ASN CA 1 1 20 4235 1 1 6 ASN CB C 6.893 -4.444 -5.573 1.00 . A A . 6 ASN CB 1 1 20 4236 1 1 6 ASN CG C 7.544 -3.738 -6.746 1.00 . A A . 6 ASN CG 1 1 20 4237 1 1 6 ASN H H 4.334 -3.035 -6.439 1.00 . A A . 6 ASN H 1 1 20 4238 1 1 6 ASN HA H 5.299 -5.059 -6.847 1.00 . A A . 6 ASN HA 1 1 20 4239 1 1 6 ASN HB2 H 6.984 -3.811 -4.701 1.00 . A A . 6 ASN HB2 1 1 20 4240 1 1 6 ASN HB3 H 7.419 -5.374 -5.399 1.00 . A A . 6 ASN HB3 1 1 20 4241 1 1 6 ASN HD21 H 7.356 -5.370 -7.865 1.00 . A A . 6 ASN HD21 1 1 20 4242 1 1 6 ASN HD22 H 8.097 -4.013 -8.636 1.00 . A A . 6 ASN HD22 1 1 20 4243 1 1 6 ASN N N 4.623 -3.529 -5.644 1.00 . A A . 6 ASN N 1 1 20 4244 1 1 6 ASN ND2 N 7.679 -4.445 -7.862 1.00 . A A . 6 ASN ND2 1 1 20 4245 1 1 6 ASN O O 5.793 -6.674 -4.448 1.00 . A A . 6 ASN O 1 1 20 4246 1 1 6 ASN OD1 O 7.920 -2.569 -6.651 1.00 . A A . 6 ASN OD1 1 1 20 4247 1 1 7 GLY C C 2.981 -6.736 -2.393 1.00 . A A . 7 GLY C 1 1 20 4248 1 1 7 GLY CA C 3.172 -7.100 -3.855 1.00 . A A . 7 GLY CA 1 1 20 4249 1 1 7 GLY H H 3.035 -5.379 -5.091 1.00 . A A . 7 GLY H 1 1 20 4250 1 1 7 GLY HA2 H 2.231 -7.437 -4.249 1.00 . A A . 7 GLY HA2 1 1 20 4251 1 1 7 GLY HA3 H 3.877 -7.916 -3.915 1.00 . A A . 7 GLY HA3 1 1 20 4252 1 1 7 GLY N N 3.662 -6.012 -4.683 1.00 . A A . 7 GLY N 1 1 20 4253 1 1 7 GLY O O 2.952 -7.622 -1.539 1.00 . A A . 7 GLY O 1 1 20 4254 1 1 8 LYS C C 1.777 -3.808 -0.564 1.00 . A A . 8 LYS C 1 1 20 4255 1 1 8 LYS CA C 2.680 -5.033 -0.697 1.00 . A A . 8 LYS CA 1 1 20 4256 1 1 8 LYS CB C 4.040 -4.746 -0.056 1.00 . A A . 8 LYS CB 1 1 20 4257 1 1 8 LYS CD C 4.223 -5.649 2.282 1.00 . A A . 8 LYS CD 1 1 20 4258 1 1 8 LYS CE C 2.909 -6.307 2.669 1.00 . A A . 8 LYS CE 1 1 20 4259 1 1 8 LYS CG C 4.552 -5.881 0.816 1.00 . A A . 8 LYS CG 1 1 20 4260 1 1 8 LYS H H 2.892 -4.773 -2.795 1.00 . A A . 8 LYS H 1 1 20 4261 1 1 8 LYS HA H 2.219 -5.855 -0.170 1.00 . A A . 8 LYS HA 1 1 20 4262 1 1 8 LYS HB2 H 4.763 -4.568 -0.838 1.00 . A A . 8 LYS HB2 1 1 20 4263 1 1 8 LYS HB3 H 3.959 -3.860 0.556 1.00 . A A . 8 LYS HB3 1 1 20 4264 1 1 8 LYS HD2 H 5.014 -6.064 2.889 1.00 . A A . 8 LYS HD2 1 1 20 4265 1 1 8 LYS HD3 H 4.150 -4.586 2.461 1.00 . A A . 8 LYS HD3 1 1 20 4266 1 1 8 LYS HE2 H 2.101 -5.624 2.453 1.00 . A A . 8 LYS HE2 1 1 20 4267 1 1 8 LYS HE3 H 2.786 -7.207 2.084 1.00 . A A . 8 LYS HE3 1 1 20 4268 1 1 8 LYS HG2 H 4.092 -6.804 0.497 1.00 . A A . 8 LYS HG2 1 1 20 4269 1 1 8 LYS HG3 H 5.624 -5.953 0.704 1.00 . A A . 8 LYS HG3 1 1 20 4270 1 1 8 LYS HZ1 H 3.241 -7.622 4.259 1.00 . A A . 8 LYS HZ1 1 1 20 4271 1 1 8 LYS HZ2 H 1.891 -6.624 4.466 1.00 . A A . 8 LYS HZ2 1 1 20 4272 1 1 8 LYS HZ3 H 3.447 -5.991 4.663 1.00 . A A . 8 LYS HZ3 1 1 20 4273 1 1 8 LYS N N 2.858 -5.448 -2.086 1.00 . A A . 8 LYS N 1 1 20 4274 1 1 8 LYS NZ N 2.869 -6.661 4.115 1.00 . A A . 8 LYS NZ 1 1 20 4275 1 1 8 LYS O O 1.976 -2.795 -1.234 1.00 . A A . 8 LYS O 1 1 20 4276 1 1 9 TRP C C 0.418 -1.900 1.674 1.00 . A A . 9 TRP C 1 1 20 4277 1 1 9 TRP CA C -0.142 -2.820 0.590 1.00 . A A . 9 TRP CA 1 1 20 4278 1 1 9 TRP CB C -1.494 -3.385 1.037 1.00 . A A . 9 TRP CB 1 1 20 4279 1 1 9 TRP CD1 C -2.808 -4.990 -0.412 1.00 . A A . 9 TRP CD1 1 1 20 4280 1 1 9 TRP CD2 C -3.036 -2.854 -1.023 1.00 . A A . 9 TRP CD2 1 1 20 4281 1 1 9 TRP CE2 C -3.798 -3.653 -1.897 1.00 . A A . 9 TRP CE2 1 1 20 4282 1 1 9 TRP CE3 C -3.030 -1.468 -1.211 1.00 . A A . 9 TRP CE3 1 1 20 4283 1 1 9 TRP CG C -2.405 -3.741 -0.089 1.00 . A A . 9 TRP CG 1 1 20 4284 1 1 9 TRP CH2 C -4.520 -1.755 -3.101 1.00 . A A . 9 TRP CH2 1 1 20 4285 1 1 9 TRP CZ2 C -4.544 -3.113 -2.941 1.00 . A A . 9 TRP CZ2 1 1 20 4286 1 1 9 TRP CZ3 C -3.773 -0.934 -2.247 1.00 . A A . 9 TRP CZ3 1 1 20 4287 1 1 9 TRP H H 0.701 -4.746 0.836 1.00 . A A . 9 TRP H 1 1 20 4288 1 1 9 TRP HA H -0.271 -2.258 -0.323 1.00 . A A . 9 TRP HA 1 1 20 4289 1 1 9 TRP HB2 H -1.324 -4.281 1.613 1.00 . A A . 9 TRP HB2 1 1 20 4290 1 1 9 TRP HB3 H -1.999 -2.669 1.651 1.00 . A A . 9 TRP HB3 1 1 20 4291 1 1 9 TRP HD1 H -2.500 -5.868 0.123 1.00 . A A . 9 TRP HD1 1 1 20 4292 1 1 9 TRP HE1 H -4.055 -5.736 -1.929 1.00 . A A . 9 TRP HE1 1 1 20 4293 1 1 9 TRP HE3 H -2.466 -0.817 -0.560 1.00 . A A . 9 TRP HE3 1 1 20 4294 1 1 9 TRP HH2 H -5.085 -1.294 -3.898 1.00 . A A . 9 TRP HH2 1 1 20 4295 1 1 9 TRP HZ2 H -5.126 -3.733 -3.608 1.00 . A A . 9 TRP HZ2 1 1 20 4296 1 1 9 TRP HZ3 H -3.781 0.133 -2.408 1.00 . A A . 9 TRP HZ3 1 1 20 4297 1 1 9 TRP N N 0.793 -3.913 0.328 1.00 . A A . 9 TRP N 1 1 20 4298 1 1 9 TRP NE1 N -3.641 -4.956 -1.504 1.00 . A A . 9 TRP NE1 1 1 20 4299 1 1 9 TRP O O 0.785 -2.359 2.756 1.00 . A A . 9 TRP O 1 1 20 4300 1 1 10 THR C C 0.048 1.528 2.533 1.00 . A A . 10 THR C 1 1 20 4301 1 1 10 THR CA C 1.014 0.364 2.340 1.00 . A A . 10 THR CA 1 1 20 4302 1 1 10 THR CB C 2.373 0.888 1.871 1.00 . A A . 10 THR CB 1 1 20 4303 1 1 10 THR CG2 C 3.273 1.318 3.009 1.00 . A A . 10 THR CG2 1 1 20 4304 1 1 10 THR H H 0.188 -0.296 0.503 1.00 . A A . 10 THR H 1 1 20 4305 1 1 10 THR HA H 1.142 -0.142 3.285 1.00 . A A . 10 THR HA 1 1 20 4306 1 1 10 THR HB H 2.216 1.744 1.231 1.00 . A A . 10 THR HB 1 1 20 4307 1 1 10 THR HG1 H 3.089 -0.920 1.630 1.00 . A A . 10 THR HG1 1 1 20 4308 1 1 10 THR HG21 H 3.006 2.317 3.321 1.00 . A A . 10 THR HG21 1 1 20 4309 1 1 10 THR HG22 H 4.302 1.308 2.678 1.00 . A A . 10 THR HG22 1 1 20 4310 1 1 10 THR HG23 H 3.155 0.638 3.839 1.00 . A A . 10 THR HG23 1 1 20 4311 1 1 10 THR N N 0.490 -0.606 1.382 1.00 . A A . 10 THR N 1 1 20 4312 1 1 10 THR O O -0.589 1.982 1.585 1.00 . A A . 10 THR O 1 1 20 4313 1 1 10 THR OG1 O 3.062 -0.102 1.128 1.00 . A A . 10 THR OG1 1 1 20 4314 1 1 11 TRP C C -0.231 4.457 3.848 1.00 . A A . 11 TRP C 1 1 20 4315 1 1 11 TRP CA C -0.938 3.127 4.081 1.00 . A A . 11 TRP CA 1 1 20 4316 1 1 11 TRP CB C -1.417 3.038 5.532 1.00 . A A . 11 TRP CB 1 1 20 4317 1 1 11 TRP CD1 C -2.107 5.272 6.577 1.00 . A A . 11 TRP CD1 1 1 20 4318 1 1 11 TRP CD2 C -3.793 4.143 5.630 1.00 . A A . 11 TRP CD2 1 1 20 4319 1 1 11 TRP CE2 C -4.300 5.343 6.164 1.00 . A A . 11 TRP CE2 1 1 20 4320 1 1 11 TRP CE3 C -4.673 3.268 4.984 1.00 . A A . 11 TRP CE3 1 1 20 4321 1 1 11 TRP CG C -2.386 4.117 5.905 1.00 . A A . 11 TRP CG 1 1 20 4322 1 1 11 TRP CH2 C -6.483 4.816 5.435 1.00 . A A . 11 TRP CH2 1 1 20 4323 1 1 11 TRP CZ2 C -5.645 5.690 6.072 1.00 . A A . 11 TRP CZ2 1 1 20 4324 1 1 11 TRP CZ3 C -6.009 3.615 4.894 1.00 . A A . 11 TRP CZ3 1 1 20 4325 1 1 11 TRP H H 0.485 1.612 4.483 1.00 . A A . 11 TRP H 1 1 20 4326 1 1 11 TRP HA H -1.792 3.066 3.424 1.00 . A A . 11 TRP HA 1 1 20 4327 1 1 11 TRP HB2 H -1.905 2.086 5.686 1.00 . A A . 11 TRP HB2 1 1 20 4328 1 1 11 TRP HB3 H -0.562 3.113 6.191 1.00 . A A . 11 TRP HB3 1 1 20 4329 1 1 11 TRP HD1 H -1.123 5.550 6.926 1.00 . A A . 11 TRP HD1 1 1 20 4330 1 1 11 TRP HE1 H -3.308 6.884 7.186 1.00 . A A . 11 TRP HE1 1 1 20 4331 1 1 11 TRP HE3 H -4.327 2.337 4.560 1.00 . A A . 11 TRP HE3 1 1 20 4332 1 1 11 TRP HH2 H -7.535 5.045 5.342 1.00 . A A . 11 TRP HH2 1 1 20 4333 1 1 11 TRP HZ2 H -6.027 6.612 6.484 1.00 . A A . 11 TRP HZ2 1 1 20 4334 1 1 11 TRP HZ3 H -6.703 2.952 4.400 1.00 . A A . 11 TRP HZ3 1 1 20 4335 1 1 11 TRP N N -0.052 2.012 3.768 1.00 . A A . 11 TRP N 1 1 20 4336 1 1 11 TRP NE1 N -3.252 6.015 6.737 1.00 . A A . 11 TRP NE1 1 1 20 4337 1 1 11 TRP O O 0.564 4.902 4.676 1.00 . A A . 11 TRP O 1 1 20 4338 1 1 12 LYS C C -0.465 6.898 1.056 1.00 . A A . 12 LYS C 1 1 20 4339 1 1 12 LYS CA C 0.089 6.365 2.373 1.00 . A A . 12 LYS CA 1 1 20 4340 1 1 12 LYS CB C 1.609 6.213 2.279 1.00 . A A . 12 LYS CB 1 1 20 4341 1 1 12 LYS CD C 2.931 8.276 1.715 1.00 . A A . 12 LYS CD 1 1 20 4342 1 1 12 LYS CE C 4.275 7.762 1.225 1.00 . A A . 12 LYS CE 1 1 20 4343 1 1 12 LYS CG C 2.374 7.406 2.830 1.00 . A A . 12 LYS CG 1 1 20 4344 1 1 12 LYS H H -1.162 4.680 2.093 1.00 . A A . 12 LYS H 1 1 20 4345 1 1 12 LYS HA H -0.146 7.066 3.160 1.00 . A A . 12 LYS HA 1 1 20 4346 1 1 12 LYS HB2 H 1.905 5.334 2.834 1.00 . A A . 12 LYS HB2 1 1 20 4347 1 1 12 LYS HB3 H 1.883 6.084 1.243 1.00 . A A . 12 LYS HB3 1 1 20 4348 1 1 12 LYS HD2 H 2.235 8.277 0.890 1.00 . A A . 12 LYS HD2 1 1 20 4349 1 1 12 LYS HD3 H 3.055 9.283 2.086 1.00 . A A . 12 LYS HD3 1 1 20 4350 1 1 12 LYS HE2 H 4.766 7.245 2.036 1.00 . A A . 12 LYS HE2 1 1 20 4351 1 1 12 LYS HE3 H 4.107 7.073 0.410 1.00 . A A . 12 LYS HE3 1 1 20 4352 1 1 12 LYS HG2 H 1.708 8.000 3.438 1.00 . A A . 12 LYS HG2 1 1 20 4353 1 1 12 LYS HG3 H 3.193 7.046 3.437 1.00 . A A . 12 LYS HG3 1 1 20 4354 1 1 12 LYS HZ1 H 4.579 9.635 0.353 1.00 . A A . 12 LYS HZ1 1 1 20 4355 1 1 12 LYS HZ2 H 5.805 8.518 0.021 1.00 . A A . 12 LYS HZ2 1 1 20 4356 1 1 12 LYS HZ3 H 5.713 9.242 1.546 1.00 . A A . 12 LYS HZ3 1 1 20 4357 1 1 12 LYS N N -0.523 5.086 2.715 1.00 . A A . 12 LYS N 1 1 20 4358 1 1 12 LYS NZ N 5.154 8.866 0.753 1.00 . A A . 12 LYS NZ 1 1 20 4359 1 1 12 LYS O O -0.959 6.137 0.225 1.00 . A A . 12 LYS O 1 1 20 4360 1 1 13 NH2 N N -0.498 8.218 0.909 1.00 . A A . 13 NH2 N 1 1 stop_ save_
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