NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
640784 | 6h7i | 34305 | cing | 4-filtered-FRED | STAR | entry | full | 125 |
data_FRED_restraints_with_modified_coordinates_PDB_code_6h7i # This FRED archive file contains, for PDB entry <6h7i>: # # - 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_6h7i _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 6h7i _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_2_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID . _Distance_constraint_list.Block_ID . loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . 1 1 2 1 . . . 1 1 3 1 . . . 1 1 4 1 . . . 1 1 5 1 . . . 1 1 6 1 . . . 1 1 7 1 . . . 1 1 8 1 . . . 1 1 9 1 . . . 1 1 10 1 . . . 1 1 11 1 . . . 1 1 12 1 . . . 1 1 13 1 . . . 1 1 14 1 . . . 1 1 15 1 . . . 1 1 16 1 . . . 1 1 17 1 . . . 1 1 18 1 . . . 1 1 19 1 . . . 1 1 20 1 . . . 1 1 21 1 . . . 1 1 22 1 . . . 1 1 23 1 . . . 1 1 24 1 . . . 1 1 25 1 . . . 1 1 26 1 . . . 1 1 27 1 . . . 1 1 28 1 . . . 1 1 29 1 . . . 1 1 30 1 . . . 1 1 31 1 . . . 1 1 32 1 . . . 1 1 33 1 . . . 1 1 34 1 . . . 1 1 35 1 . . . 1 1 36 1 . . . 1 1 37 1 . . . 1 1 38 1 . . . 1 1 39 1 . . . 1 1 40 1 . . . 1 1 41 1 . . . 1 1 42 1 . . . 1 1 43 1 . . . 1 1 44 1 . . . 1 1 45 1 . . . 1 1 46 1 . . . 1 1 47 1 . . . 1 1 48 1 . . . 1 1 49 1 . . . 1 1 50 1 . . . 1 1 51 1 . . . 1 1 52 1 . . . 1 1 53 1 . . . 1 1 54 1 . . . 1 1 55 1 . . . 1 1 56 1 . . . 1 1 57 1 . . . 1 1 58 1 . . . 1 1 59 1 . . . 1 1 60 1 . . . 1 1 61 1 . . . 1 1 62 1 . . . 1 1 63 1 . . . 1 1 64 1 . . . 1 1 65 1 . . . 1 1 66 1 . . . 1 1 67 1 . . . 1 1 68 1 . . . 1 1 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 97 1 . . . 1 1 98 1 . . . 1 1 99 1 . . . 1 1 100 1 . . . 1 1 101 1 . . . 1 1 102 1 . . . 1 1 103 1 . . . 1 1 104 1 . . . 1 1 105 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 1 SER QB . 1 . HB2 1 1 2 1 1 1 1 1 SER HA . 1 . HA 1 1 2 1 2 1 1 2 TRP H . 2 . H 1 1 3 1 1 1 1 1 SER HA . 1 . HA 1 1 3 1 2 1 1 2 TRP QB . 2 . HB2 1 1 4 1 1 1 1 1 SER HA . 1 . HA 1 1 4 1 2 1 1 2 TRP HD1 . 2 . HD1 1 1 5 1 1 1 1 1 SER HA . 1 . HA 1 1 5 1 2 1 1 11 TRP HH2 . 11 . HH2 1 1 6 1 1 1 1 1 SER HA . 1 . HA 1 1 6 1 2 1 1 11 TRP HZ3 . 11 . HZ3 1 1 7 1 1 1 1 2 TRP H . 2 . H 1 1 7 1 2 1 1 2 TRP QB . 2 . HB2 1 1 8 1 1 1 1 2 TRP H . 2 . H 1 1 8 1 2 1 1 2 TRP HD1 . 2 . HD1 1 1 9 1 1 1 1 2 TRP HA . 2 . HA 1 1 9 1 2 1 1 2 TRP HD1 . 2 . HD1 1 1 10 1 1 1 1 2 TRP HA . 2 . HA 1 1 10 1 2 1 1 2 TRP HD1 . 2 . HD1 1 1 10 1 2 1 1 2 TRP HE3 . 2 . HE3 1 1 11 1 1 1 1 2 TRP HA . 2 . HA 1 1 11 1 2 1 1 3 THR H . 3 . H 1 1 12 1 1 1 1 2 TRP HA . 2 . HA 1 1 12 1 2 1 1 11 TRP HA . 11 . HA 1 1 13 1 1 1 1 2 TRP HA . 2 . HA 1 1 13 1 2 1 1 12 LYS H . 12 . H 1 1 14 1 1 1 1 2 TRP QB . 2 . HB2 1 1 14 1 2 1 1 2 TRP HD1 . 2 . HD1 1 1 14 1 2 1 1 2 TRP HE3 . 2 . HE3 1 1 15 1 1 1 1 2 TRP QB . 2 . HB2 1 1 15 1 2 1 1 2 TRP HZ3 . 2 . HZ3 1 1 15 1 2 1 1 9 TRP HH2 . 9 . HH2 1 1 16 1 1 1 1 2 TRP QB . 2 . HB2 1 1 16 1 2 1 1 3 THR H . 3 . H 1 1 17 1 1 1 1 2 TRP QB . 2 . HB2 1 1 17 1 2 1 1 9 TRP HE3 . 9 . HE3 1 1 17 1 2 1 1 9 TRP HH2 . 9 . HH2 1 1 18 1 1 1 1 2 TRP QB . 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 1 1 1 2 TRP HE3 . 2 . HE3 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 1 1 1 11 TRP HZ2 . 11 . HZ2 1 1 20 1 2 1 1 11 TRP HZ3 . 11 . HZ3 1 1 21 1 1 1 1 2 TRP HD1 . 2 . HD1 1 1 21 1 2 1 1 11 TRP HZ3 . 11 . HZ3 1 1 22 1 1 1 1 2 TRP HE1 . 2 . HE1 1 1 22 1 2 1 1 11 TRP HE3 . 11 . HE3 1 1 23 1 1 1 1 2 TRP HE1 . 2 . HE1 1 1 23 1 2 1 1 11 TRP HZ3 . 11 . HZ3 1 1 24 1 1 1 1 2 TRP HE3 . 2 . HE3 1 1 24 1 2 1 1 3 THR H . 3 . H 1 1 25 1 1 1 1 2 TRP HE3 . 2 . HE3 1 1 25 1 2 1 1 9 TRP HB3 . 9 . HB3 1 1 26 1 1 1 1 2 TRP HE3 . 2 . HE3 1 1 26 1 2 1 1 10 THR H . 10 . H 1 1 27 1 1 1 1 2 TRP HE3 . 2 . HE3 1 1 27 1 2 1 1 11 TRP HA . 11 . HA 1 1 28 1 1 1 1 2 TRP HE3 . 2 . HE3 1 1 28 1 2 1 1 11 TRP HB2 . 11 . HB3 1 1 29 1 1 1 1 2 TRP HH2 . 2 . HH2 1 1 29 1 1 1 1 2 TRP HZ2 . 2 . HZ2 1 1 29 1 2 1 1 11 TRP HB2 . 11 . HB3 1 1 30 1 1 1 1 2 TRP HZ3 . 2 . HZ3 1 1 30 1 2 1 1 3 THR H . 3 . H 1 1 31 1 1 1 1 2 TRP HZ3 . 2 . HZ3 1 1 31 1 2 1 1 9 TRP HA . 9 . HA 1 1 32 1 1 1 1 2 TRP HZ3 . 2 . HZ3 1 1 32 1 1 1 1 9 TRP HE3 . 9 . HE3 1 1 32 1 2 1 1 9 TRP HA . 9 . HA 1 1 33 1 1 1 1 2 TRP HZ3 . 2 . HZ3 1 1 33 1 2 1 1 10 THR H . 10 . H 1 1 34 1 1 1 1 2 TRP HZ3 . 2 . HZ3 1 1 34 1 2 1 1 10 THR MG . 10 . HG2# 1 1 35 1 1 1 1 2 TRP HZ3 . 2 . HZ3 1 1 35 1 2 1 1 11 TRP H . 11 . H 1 1 36 1 1 1 1 2 TRP HZ3 . 2 . HZ3 1 1 36 1 2 1 1 11 TRP HA . 11 . HA 1 1 37 1 1 1 1 2 TRP HZ3 . 2 . HZ3 1 1 37 1 2 1 1 11 TRP HB2 . 11 . HB3 1 1 38 1 1 1 1 3 THR H . 3 . H 1 1 38 1 2 1 1 3 THR HB . 3 . HB 1 1 39 1 1 1 1 3 THR H . 3 . H 1 1 39 1 2 1 1 10 THR H . 10 . H 1 1 40 1 1 1 1 3 THR HB . 3 . HB 1 1 40 1 2 1 1 4 TRP H . 4 . H 1 1 41 1 1 1 1 3 THR MG . 3 . HG2# 1 1 41 1 2 1 1 12 LYS HB3 . 12 . HB3 1 1 41 1 2 1 1 12 LYS QD . 12 . HD2 1 1 42 1 1 1 1 4 TRP H . 4 . H 1 1 42 1 2 1 1 4 TRP HB2 . 4 . HB2 1 1 43 1 1 1 1 4 TRP H . 4 . H 1 1 43 1 2 1 1 4 TRP HB3 . 4 . HB3 1 1 44 1 1 1 1 4 TRP H . 4 . H 1 1 44 1 2 1 1 9 TRP HZ3 . 9 . HZ3 1 1 45 1 1 1 1 4 TRP HA . 4 . HA 1 1 45 1 2 1 1 4 TRP HE3 . 4 . HE3 1 1 46 1 1 1 1 4 TRP HB2 . 4 . HB2 1 1 46 1 2 1 1 4 TRP HD1 . 4 . HD1 1 1 47 1 1 1 1 4 TRP HB2 . 4 . HB2 1 1 47 1 2 1 1 4 TRP HE3 . 4 . HE3 1 1 48 1 1 1 1 4 TRP HB2 . 4 . HB2 1 1 48 1 2 1 1 9 TRP HZ3 . 9 . HZ3 1 1 49 1 1 1 1 4 TRP HB3 . 4 . HB3 1 1 49 1 2 1 1 4 TRP HD1 . 4 . HD1 1 1 50 1 1 1 1 4 TRP HB3 . 4 . HB3 1 1 50 1 2 1 1 4 TRP HE3 . 4 . HE3 1 1 51 1 1 1 1 4 TRP HE1 . 4 . HE1 1 1 51 1 2 1 1 7 GLY H . 7 . H 1 1 52 1 1 1 1 4 TRP HE3 . 4 . HE3 1 1 52 1 2 1 1 4 TRP HZ2 . 4 . HZ2 1 1 52 1 2 1 1 9 TRP HD1 . 9 . HD1 1 1 53 1 1 1 1 4 TRP HE3 . 4 . HE3 1 1 53 1 2 1 1 8 LYS HA . 8 . HA 1 1 54 1 1 1 1 4 TRP HE3 . 4 . HE3 1 1 54 1 2 1 1 9 TRP HD1 . 9 . HD1 1 1 55 1 1 1 1 4 TRP HE3 . 4 . HE3 1 1 55 1 2 1 1 9 TRP HE1 . 9 . HE1 1 1 56 1 1 1 1 4 TRP HH2 . 4 . HH2 1 1 56 1 2 1 1 4 TRP HZ3 . 4 . HZ3 1 1 57 1 1 1 1 4 TRP HH2 . 4 . HH2 1 1 57 1 2 1 1 8 LYS HA . 8 . HA 1 1 58 1 1 1 1 4 TRP HZ2 . 4 . HZ2 1 1 58 1 1 1 1 9 TRP HD1 . 9 . HD1 1 1 58 1 2 1 1 4 TRP HZ3 . 4 . HZ3 1 1 59 1 1 1 1 4 TRP HZ2 . 4 . HZ2 1 1 59 1 2 1 1 7 GLY H . 7 . H 1 1 60 1 1 1 1 4 TRP HZ2 . 4 . HZ2 1 1 60 1 2 1 1 7 GLY HA3 . 7 . HA3 1 1 61 1 1 1 1 4 TRP HZ3 . 4 . HZ3 1 1 61 1 2 1 1 8 LYS HA . 8 . HA 1 1 62 1 1 1 1 4 TRP HZ3 . 4 . HZ3 1 1 62 1 2 1 1 9 TRP H . 9 . H 1 1 63 1 1 1 1 4 TRP HZ3 . 4 . HZ3 1 1 63 1 2 1 1 9 TRP HA . 9 . HA 1 1 64 1 1 1 1 4 TRP HZ3 . 4 . HZ3 1 1 64 1 2 1 1 9 TRP HE1 . 9 . HE1 1 1 65 1 1 1 1 5 GLU H . 5 . H 1 1 65 1 2 1 1 8 LYS H . 8 . H 1 1 66 1 1 1 1 5 GLU HA . 5 . HA 1 1 66 1 2 1 1 6 ASN H . 6 . H 1 1 67 1 1 1 1 5 GLU HB2 . 5 . HB2 1 1 67 1 2 1 1 5 GLU HG3 . 5 . HG3 1 1 68 1 1 1 1 5 GLU HB3 . 5 . HB3 1 1 68 1 2 1 1 5 GLU HG2 . 5 . HG2 1 1 69 1 1 1 1 5 GLU HB3 . 5 . HB3 1 1 69 1 2 1 1 5 GLU HG3 . 5 . HG3 1 1 70 1 1 1 1 6 ASN H . 6 . H 1 1 70 1 2 1 1 6 ASN HA . 6 . HA 1 1 71 1 1 1 1 6 ASN H . 6 . H 1 1 71 1 2 1 1 7 GLY H . 7 . H 1 1 72 1 1 1 1 6 ASN HA . 6 . HA 1 1 72 1 2 1 1 6 ASN HB3 . 6 . HB3 1 1 73 1 1 1 1 6 ASN HA . 6 . HA 1 1 73 1 2 1 1 6 ASN HD21 . 6 . HD21 1 1 74 1 1 1 1 6 ASN HA . 6 . HA 1 1 74 1 2 1 1 6 ASN HD22 . 6 . HD22 1 1 75 1 1 1 1 6 ASN HA . 6 . HA 1 1 75 1 2 1 1 7 GLY H . 7 . H 1 1 76 1 1 1 1 7 GLY H . 7 . H 1 1 76 1 2 1 1 7 GLY HA2 . 7 . HA2 1 1 77 1 1 1 1 7 GLY H . 7 . H 1 1 77 1 2 1 1 7 GLY HA3 . 7 . HA3 1 1 78 1 1 1 1 7 GLY HA2 . 7 . HA2 1 1 78 1 2 1 1 8 LYS H . 8 . H 1 1 79 1 1 1 1 7 GLY HA3 . 7 . HA3 1 1 79 1 2 1 1 8 LYS H . 8 . H 1 1 80 1 1 1 1 8 LYS H . 8 . H 1 1 80 1 2 1 1 8 LYS QG . 8 . HG2 1 1 81 1 1 1 1 8 LYS HA . 8 . HA 1 1 81 1 2 1 1 9 TRP H . 9 . H 1 1 82 1 1 1 1 8 LYS QG . 8 . HG2 1 1 82 1 2 1 1 10 THR MG . 10 . HG2# 1 1 83 1 1 1 1 8 LYS QZ . 8 . HZ# 1 1 83 1 2 1 1 9 TRP HD1 . 9 . HD1 1 1 84 1 1 1 1 9 TRP H . 9 . H 1 1 84 1 2 1 1 9 TRP HB2 . 9 . HB2 1 1 85 1 1 1 1 9 TRP H . 9 . H 1 1 85 1 2 1 1 9 TRP HB3 . 9 . HB3 1 1 86 1 1 1 1 9 TRP H . 9 . H 1 1 86 1 2 1 1 9 TRP HD1 . 9 . HD1 1 1 87 1 1 1 1 9 TRP HA . 9 . HA 1 1 87 1 2 1 1 9 TRP HZ3 . 9 . HZ3 1 1 88 1 1 1 1 9 TRP HA . 9 . HA 1 1 88 1 2 1 1 10 THR H . 10 . H 1 1 89 1 1 1 1 9 TRP HB2 . 9 . HB2 1 1 89 1 2 1 1 9 TRP HD1 . 9 . HD1 1 1 90 1 1 1 1 9 TRP HB3 . 9 . HB3 1 1 90 1 2 1 1 9 TRP HD1 . 9 . HD1 1 1 91 1 1 1 1 9 TRP HH2 . 9 . HH2 1 1 91 1 2 1 1 9 TRP HZ3 . 9 . HZ3 1 1 92 1 1 1 1 10 THR H . 10 . H 1 1 92 1 2 1 1 10 THR HB . 10 . HB 1 1 93 1 1 1 1 10 THR MG . 10 . HG2# 1 1 93 1 2 1 1 12 LYS HB3 . 12 . HB3 1 1 93 1 2 1 1 12 LYS QD . 12 . HD2 1 1 94 1 1 1 1 11 TRP H . 11 . H 1 1 94 1 2 1 1 11 TRP HB2 . 11 . HB3 1 1 95 1 1 1 1 11 TRP H . 11 . H 1 1 95 1 2 1 1 11 TRP HB3 . 11 . HB2 1 1 96 1 1 1 1 11 TRP HA . 11 . HA 1 1 96 1 2 1 1 11 TRP HB2 . 11 . HB3 1 1 97 1 1 1 1 11 TRP HA . 11 . HA 1 1 97 1 2 1 1 11 TRP HE3 . 11 . HE3 1 1 98 1 1 1 1 11 TRP HA . 11 . HA 1 1 98 1 2 1 1 12 LYS H . 12 . H 1 1 99 1 1 1 1 11 TRP HB2 . 11 . HB3 1 1 99 1 2 1 1 11 TRP HD1 . 11 . HD1 1 1 100 1 1 1 1 11 TRP HB2 . 11 . HB3 1 1 100 1 2 1 1 11 TRP HE3 . 11 . HE3 1 1 101 1 1 1 1 11 TRP HB3 . 11 . HB2 1 1 101 1 2 1 1 11 TRP HD1 . 11 . HD1 1 1 102 1 1 1 1 11 TRP HD1 . 11 . HD1 1 1 102 1 2 1 1 12 LYS HA . 12 . HA 1 1 103 1 1 1 1 11 TRP HH2 . 11 . HH2 1 1 103 1 2 1 1 11 TRP HZ3 . 11 . HZ3 1 1 104 1 1 1 1 11 TRP HZ3 . 11 . HZ3 1 1 104 1 2 1 1 12 LYS H . 12 . H 1 1 105 1 1 1 1 12 LYS H . 12 . H 1 1 105 1 2 1 1 12 LYS HB2 . 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 . . . . . 2.6 1.8 3.1 1 1 2 1 . . . . . 2.8 1.7 3.4 1 1 3 1 . . . . . 3.6 1.8 4.3 1 1 4 1 . . . . . 3.4 1.8 4.1 1 1 5 1 . . . . . 3.4 1.7 4.1 1 1 6 1 . . . . . 3.2 1.8 3.8 1 1 7 1 . . . . . 3.1 1.7 3.7 1 1 8 1 . . . . . 3.1 1.7 3.7 1 1 9 1 . . . . . 3.3 1.8 4.0 1 1 10 1 . . . . . 2.7 1.7 3.2 1 1 11 1 . . . . . 2.5 1.8 3.0 1 1 12 1 . . . . . 3.3 1.8 4.0 1 1 13 1 . . . . . 3.5 1.7 4.2 1 1 14 1 . . . . . 2.4 1.8 2.9 1 1 15 1 . . . . . 2.8 1.7 3.4 1 1 16 1 . . . . . 3.5 1.8 4.2 1 1 17 1 . . . . . 2.7 1.7 3.2 1 1 18 1 . . . . . 3.3 1.8 4.0 1 1 19 1 . . . . . 3.3 1.7 3.6 1 1 20 1 . . . . . 3.0 1.7 3.6 1 1 21 1 . . . . . 2.8 1.7 3.4 1 1 22 1 . . . . . 3.5 1.7 4.2 1 1 23 1 . . . . . 3.2 1.8 3.8 1 1 24 1 . . . . . 3.4 1.9 4.1 1 1 25 1 . . . . . 2.9 1.7 3.5 1 1 26 1 . . . . . 3.5 1.8 4.0 1 1 27 1 . . . . . 3.2 1.7 3.8 1 1 28 1 . . . . . 3.5 1.8 4.2 1 1 29 1 . . . . . 3.7 1.8 4.4 1 1 30 1 . . . . . 3.7 1.9 4.4 1 1 31 1 . . . . . 3.4 1.8 4.1 1 1 32 1 . . . . . 2.6 1.7 3.1 1 1 33 1 . . . . . 3.4 1.7 4.1 1 1 34 1 . . . . . 3.6 1.8 4.3 1 1 35 1 . . . . . 3.3 1.7 4.0 1 1 36 1 . . . . . 3.5 1.7 4.2 1 1 37 1 . . . . . 3.2 1.7 3.8 1 1 38 1 . . . . . 3.5 1.8 4.1 1 1 39 1 . . . . . 3.1 1.7 3.7 1 1 40 1 . . . . . 3.5 1.8 4.2 1 1 41 1 . . . . . 3.3 1.7 4.0 1 1 42 1 . . . . . 3.1 1.7 3.7 1 1 43 1 . . . . . 3.0 1.7 3.6 1 1 44 1 . . . . . 3.4 1.7 4.1 1 1 45 1 . . . . . 3.1 1.7 3.7 1 1 46 1 . . . . . 3.0 1.8 3.6 1 1 47 1 . . . . . 3.2 1.8 3.8 1 1 48 1 . . . . . 3.4 1.7 4.1 1 1 49 1 . . . . . 2.7 1.7 3.2 1 1 50 1 . . . . . 3.4 1.9 4.1 1 1 51 1 . . . . . 3.6 1.8 4.3 1 1 52 1 . . . . . 3.3 1.7 4.0 1 1 53 1 . . . . . 4.0 2.0 4.8 1 1 54 1 . . . . . 3.2 1.7 3.8 1 1 55 1 . . . . . 3.5 1.8 4.2 1 1 56 1 . . . . . 2.4 1.8 2.9 1 1 57 1 . . . . . 3.7 1.8 4.4 1 1 58 1 . . . . . 2.6 1.7 3.1 1 1 59 1 . . . . . 3.3 1.7 4.0 1 1 60 1 . . . . . 3.5 1.7 4.2 1 1 61 1 . . . . . 3.2 1.7 3.8 1 1 62 1 . . . . . 3.6 1.8 4.3 1 1 63 1 . . . . . 3.5 1.7 4.2 1 1 64 1 . . . . . 3.3 1.8 4.0 1 1 65 1 . . . . . 3.1 1.7 3.7 1 1 66 1 . . . . . 2.9 1.7 3.5 1 1 67 1 . . . . . 2.9 1.7 3.5 1 1 68 1 . . . . . 3.0 1.7 3.6 1 1 69 1 . . . . . 2.8 1.8 3.4 1 1 70 1 . . . . . 2.8 1.8 3.4 1 1 71 1 . . . . . 3.7 1.9 4.0 1 1 72 1 . . . . . 3.0 1.8 3.6 1 1 73 1 . . . . . 3.1 1.7 3.7 1 1 74 1 . . . . . 2.7 1.7 3.2 1 1 75 1 . . . . . 2.8 1.7 3.4 1 1 76 1 . . . . . 2.7 1.7 3.2 1 1 77 1 . . . . . 2.9 1.7 3.5 1 1 78 1 . . . . . 3.5 1.8 4.2 1 1 79 1 . . . . . 3.4 1.7 4.1 1 1 80 1 . . . . . 3.5 1.7 4.2 1 1 81 1 . . . . . 2.7 1.7 3.2 1 1 82 1 . . . . . 3.4 1.7 4.1 1 1 83 1 . . . . . 3.5 1.7 4.2 1 1 84 1 . . . . . 3.0 1.7 3.6 1 1 85 1 . . . . . 3.2 1.7 3.8 1 1 86 1 . . . . . 3.1 1.7 3.7 1 1 87 1 . . . . . 3.6 1.8 4.3 1 1 88 1 . . . . . 2.5 1.7 3.0 1 1 89 1 . . . . . 3.0 1.8 3.2 1 1 90 1 . . . . . 2.8 1.7 3.1 1 1 91 1 . . . . . 2.1 1.8 2.5 1 1 92 1 . . . . . 3.2 1.7 3.8 1 1 93 1 . . . . . 3.3 1.8 4.0 1 1 94 1 . . . . . 3.2 1.7 3.8 1 1 95 1 . . . . . 3.0 1.8 3.6 1 1 96 1 . . . . . 3.0 1.7 3.6 1 1 97 1 . . . . . 3.1 1.7 3.7 1 1 98 1 . . . . . 2.5 1.8 3.0 1 1 99 1 . . . . . 3.6 1.8 3.8 1 1 100 1 . . . . . 3.3 1.7 4.0 1 1 101 1 . . . . . 3.1 1.7 3.1 1 1 102 1 . . . . . 3.5 1.8 4.2 1 1 103 1 . . . . . 2.5 1.7 3.0 1 1 104 1 . . . . . 3.5 1.7 4.2 1 1 105 1 . . . . . 3.5 1.7 4.2 1 1 stop_ save_ save_CNS/XPLOR_dihedral_3 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID 1 _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID . _Torsion_angle_constraint_list.Block_ID . loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 . 1 1 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 -135.836 -94.271996 . 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 121.607994 158.738 . 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 -119.902 -86.362 . 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 122.06799 141.908 . 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 -139.75398 -80.142 . 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 92.18499 167.603 . 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 46.93 58.822 . 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 38.856 46.126 . 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 64.866 86.052 . 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 -8.902 21.622 . 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 -133.965 -94.411 . 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 140.575 154.533 . 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 -101.70599 -72.182 . 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 128.602 147.6 . 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 -127.98699 -103.93299 . 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 124.04001 151.276 . 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 -114.85 -82.17 . 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 103.151 152.447 . 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 5.460 2.115 3.316 1.00 . A A . 1 SER C 1 1 1 2 1 1 1 SER CA C 6.416 2.728 4.334 1.00 . A A . 1 SER CA 1 1 1 3 1 1 1 SER CB C 5.796 3.982 4.952 1.00 . A A . 1 SER CB 1 1 1 4 1 1 1 SER H1 H 8.403 3.246 4.461 1.00 . A A . 1 SER H1 1 1 1 5 1 1 1 SER H2 H 7.554 3.977 3.161 1.00 . A A . 1 SER H2 1 1 1 6 1 1 1 SER H3 H 7.993 2.320 3.078 1.00 . A A . 1 SER H3 1 1 1 7 1 1 1 SER HA H 6.611 2.006 5.113 1.00 . A A . 1 SER HA 1 1 1 8 1 1 1 SER HB2 H 6.582 4.659 5.252 1.00 . A A . 1 SER HB2 1 1 1 9 1 1 1 SER HB3 H 5.164 4.465 4.222 1.00 . A A . 1 SER HB3 1 1 1 10 1 1 1 SER HG H 5.402 4.063 6.869 1.00 . A A . 1 SER HG 1 1 1 11 1 1 1 SER N N 7.708 3.101 3.701 1.00 . A A . 1 SER N 1 1 1 12 1 1 1 SER O O 5.754 2.072 2.121 1.00 . A A . 1 SER O 1 1 1 13 1 1 1 SER OG O 5.015 3.658 6.089 1.00 . A A . 1 SER OG 1 1 1 14 1 1 2 TRP C C 2.187 2.010 2.632 1.00 . A A . 2 TRP C 1 1 1 15 1 1 2 TRP CA C 3.316 1.032 2.927 1.00 . A A . 2 TRP CA 1 1 1 16 1 1 2 TRP CB C 2.768 -0.245 3.570 1.00 . A A . 2 TRP CB 1 1 1 17 1 1 2 TRP CD1 C 4.592 -2.027 3.826 1.00 . A A . 2 TRP CD1 1 1 1 18 1 1 2 TRP CD2 C 3.348 -2.238 1.977 1.00 . A A . 2 TRP CD2 1 1 1 19 1 1 2 TRP CE2 C 4.315 -3.260 1.984 1.00 . A A . 2 TRP CE2 1 1 1 20 1 1 2 TRP CE3 C 2.449 -2.172 0.910 1.00 . A A . 2 TRP CE3 1 1 1 21 1 1 2 TRP CG C 3.543 -1.459 3.161 1.00 . A A . 2 TRP CG 1 1 1 22 1 1 2 TRP CH2 C 3.516 -4.107 -0.071 1.00 . A A . 2 TRP CH2 1 1 1 23 1 1 2 TRP CZ2 C 4.408 -4.203 0.963 1.00 . A A . 2 TRP CZ2 1 1 1 24 1 1 2 TRP CZ3 C 2.541 -3.101 -0.098 1.00 . A A . 2 TRP CZ3 1 1 1 25 1 1 2 TRP H H 4.138 1.705 4.758 1.00 . A A . 2 TRP H 1 1 1 26 1 1 2 TRP HA H 3.802 0.774 1.998 1.00 . A A . 2 TRP HA 1 1 1 27 1 1 2 TRP HB2 H 2.817 -0.154 4.645 1.00 . A A . 2 TRP HB2 1 1 1 28 1 1 2 TRP HB3 H 1.742 -0.383 3.271 1.00 . A A . 2 TRP HB3 1 1 1 29 1 1 2 TRP HD1 H 4.985 -1.665 4.764 1.00 . A A . 2 TRP HD1 1 1 1 30 1 1 2 TRP HE1 H 5.812 -3.681 3.394 1.00 . A A . 2 TRP HE1 1 1 1 31 1 1 2 TRP HE3 H 1.676 -1.421 0.869 1.00 . A A . 2 TRP HE3 1 1 1 32 1 1 2 TRP HH2 H 3.551 -4.815 -0.886 1.00 . A A . 2 TRP HH2 1 1 1 33 1 1 2 TRP HZ2 H 5.154 -4.984 0.971 1.00 . A A . 2 TRP HZ2 1 1 1 34 1 1 2 TRP HZ3 H 1.857 -3.047 -0.929 1.00 . A A . 2 TRP HZ3 1 1 1 35 1 1 2 TRP N N 4.315 1.642 3.796 1.00 . A A . 2 TRP N 1 1 1 36 1 1 2 TRP NE1 N 5.063 -3.110 3.124 1.00 . A A . 2 TRP NE1 1 1 1 37 1 1 2 TRP O O 1.935 2.928 3.412 1.00 . A A . 2 TRP O 1 1 1 38 1 1 3 THR C C -0.891 1.935 0.968 1.00 . A A . 3 THR C 1 1 1 39 1 1 3 THR CA C 0.409 2.710 1.132 1.00 . A A . 3 THR CA 1 1 1 40 1 1 3 THR CB C 0.737 3.466 -0.159 1.00 . A A . 3 THR CB 1 1 1 41 1 1 3 THR CG2 C 2.199 3.840 -0.285 1.00 . A A . 3 THR CG2 1 1 1 42 1 1 3 THR H H 1.746 1.066 0.908 1.00 . A A . 3 THR H 1 1 1 43 1 1 3 THR HA H 0.284 3.425 1.932 1.00 . A A . 3 THR HA 1 1 1 44 1 1 3 THR HB H 0.160 4.380 -0.183 1.00 . A A . 3 THR HB 1 1 1 45 1 1 3 THR HG1 H -0.335 3.118 -1.759 1.00 . A A . 3 THR HG1 1 1 1 46 1 1 3 THR HG21 H 2.677 3.187 -1.000 1.00 . A A . 3 THR HG21 1 1 1 47 1 1 3 THR HG22 H 2.681 3.737 0.676 1.00 . A A . 3 THR HG22 1 1 1 48 1 1 3 THR HG23 H 2.281 4.863 -0.622 1.00 . A A . 3 THR HG23 1 1 1 49 1 1 3 THR N N 1.507 1.819 1.502 1.00 . A A . 3 THR N 1 1 1 50 1 1 3 THR O O -0.987 1.024 0.146 1.00 . A A . 3 THR O 1 1 1 51 1 1 3 THR OG1 O 0.391 2.696 -1.295 1.00 . A A . 3 THR OG1 1 1 1 52 1 1 4 TRP C C -4.137 2.412 0.798 1.00 . A A . 4 TRP C 1 1 1 53 1 1 4 TRP CA C -3.189 1.655 1.724 1.00 . A A . 4 TRP CA 1 1 1 54 1 1 4 TRP CB C -3.769 1.601 3.139 1.00 . A A . 4 TRP CB 1 1 1 55 1 1 4 TRP CD1 C -6.050 0.853 3.953 1.00 . A A . 4 TRP CD1 1 1 1 56 1 1 4 TRP CD2 C -4.899 -0.715 2.883 1.00 . A A . 4 TRP CD2 1 1 1 57 1 1 4 TRP CE2 C -6.131 -1.265 3.265 1.00 . A A . 4 TRP CE2 1 1 1 58 1 1 4 TRP CE3 C -3.990 -1.495 2.198 1.00 . A A . 4 TRP CE3 1 1 1 59 1 1 4 TRP CG C -4.878 0.630 3.318 1.00 . A A . 4 TRP CG 1 1 1 60 1 1 4 TRP CH2 C -5.556 -3.339 2.298 1.00 . A A . 4 TRP CH2 1 1 1 61 1 1 4 TRP CZ2 C -6.474 -2.582 2.978 1.00 . A A . 4 TRP CZ2 1 1 1 62 1 1 4 TRP CZ3 C -4.319 -2.806 1.909 1.00 . A A . 4 TRP CZ3 1 1 1 63 1 1 4 TRP H H -1.741 3.040 2.394 1.00 . A A . 4 TRP H 1 1 1 64 1 1 4 TRP HA H -3.055 0.653 1.352 1.00 . A A . 4 TRP HA 1 1 1 65 1 1 4 TRP HB2 H -3.002 1.340 3.838 1.00 . A A . 4 TRP HB2 1 1 1 66 1 1 4 TRP HB3 H -4.139 2.561 3.383 1.00 . A A . 4 TRP HB3 1 1 1 67 1 1 4 TRP HD1 H -6.312 1.792 4.404 1.00 . A A . 4 TRP HD1 1 1 1 68 1 1 4 TRP HE1 H -7.723 -0.373 4.307 1.00 . A A . 4 TRP HE1 1 1 1 69 1 1 4 TRP HE3 H -3.040 -1.083 1.902 1.00 . A A . 4 TRP HE3 1 1 1 70 1 1 4 TRP HH2 H -5.776 -4.368 2.054 1.00 . A A . 4 TRP HH2 1 1 1 71 1 1 4 TRP HZ2 H -7.425 -3.000 3.267 1.00 . A A . 4 TRP HZ2 1 1 1 72 1 1 4 TRP HZ3 H -3.620 -3.432 1.375 1.00 . A A . 4 TRP HZ3 1 1 1 73 1 1 4 TRP N N -1.887 2.307 1.761 1.00 . A A . 4 TRP N 1 1 1 74 1 1 4 TRP NE1 N -6.826 -0.282 3.922 1.00 . A A . 4 TRP NE1 1 1 1 75 1 1 4 TRP O O -4.387 3.601 0.992 1.00 . A A . 4 TRP O 1 1 1 76 1 1 5 GLU C C -6.713 1.419 -1.555 1.00 . A A . 5 GLU C 1 1 1 77 1 1 5 GLU CA C -5.565 2.349 -1.168 1.00 . A A . 5 GLU CA 1 1 1 78 1 1 5 GLU CB C -4.800 2.776 -2.423 1.00 . A A . 5 GLU CB 1 1 1 79 1 1 5 GLU CD C -3.762 1.785 -4.502 1.00 . A A . 5 GLU CD 1 1 1 80 1 1 5 GLU CG C -3.915 1.681 -2.997 1.00 . A A . 5 GLU CG 1 1 1 81 1 1 5 GLU H H -4.418 0.780 -0.327 1.00 . A A . 5 GLU H 1 1 1 82 1 1 5 GLU HA H -5.978 3.229 -0.699 1.00 . A A . 5 GLU HA 1 1 1 83 1 1 5 GLU HB2 H -5.511 3.069 -3.181 1.00 . A A . 5 GLU HB2 1 1 1 84 1 1 5 GLU HB3 H -4.176 3.623 -2.179 1.00 . A A . 5 GLU HB3 1 1 1 85 1 1 5 GLU HG2 H -2.937 1.754 -2.546 1.00 . A A . 5 GLU HG2 1 1 1 86 1 1 5 GLU HG3 H -4.351 0.722 -2.759 1.00 . A A . 5 GLU HG3 1 1 1 87 1 1 5 GLU N N -4.656 1.723 -0.215 1.00 . A A . 5 GLU N 1 1 1 88 1 1 5 GLU O O -6.504 0.385 -2.190 1.00 . A A . 5 GLU O 1 1 1 89 1 1 5 GLU OE1 O -2.682 2.212 -4.961 1.00 . A A . 5 GLU OE1 1 1 1 90 1 1 5 GLU OE2 O -4.723 1.438 -5.221 1.00 . A A . 5 GLU OE2 1 1 1 91 1 1 6 ASN C C -8.966 -0.448 -1.185 1.00 . A A . 6 ASN C 1 1 1 92 1 1 6 ASN CA C -9.128 1.040 -1.502 1.00 . A A . 6 ASN CA 1 1 1 93 1 1 6 ASN CB C -9.490 1.222 -2.978 1.00 . A A . 6 ASN CB 1 1 1 94 1 1 6 ASN CG C -10.966 1.500 -3.175 1.00 . A A . 6 ASN CG 1 1 1 95 1 1 6 ASN H H -8.024 2.655 -0.694 1.00 . A A . 6 ASN H 1 1 1 96 1 1 6 ASN HA H -9.936 1.431 -0.901 1.00 . A A . 6 ASN HA 1 1 1 97 1 1 6 ASN HB2 H -8.928 2.054 -3.380 1.00 . A A . 6 ASN HB2 1 1 1 98 1 1 6 ASN HB3 H -9.234 0.321 -3.521 1.00 . A A . 6 ASN HB3 1 1 1 99 1 1 6 ASN HD21 H -10.914 2.899 -1.764 1.00 . A A . 6 ASN HD21 1 1 1 100 1 1 6 ASN HD22 H -12.450 2.640 -2.508 1.00 . A A . 6 ASN HD22 1 1 1 101 1 1 6 ASN N N -7.928 1.811 -1.184 1.00 . A A . 6 ASN N 1 1 1 102 1 1 6 ASN ND2 N -11.497 2.442 -2.406 1.00 . A A . 6 ASN ND2 1 1 1 103 1 1 6 ASN O O -9.331 -1.303 -1.992 1.00 . A A . 6 ASN O 1 1 1 104 1 1 6 ASN OD1 O -11.621 0.876 -4.010 1.00 . A A . 6 ASN OD1 1 1 1 105 1 1 7 GLY C C -7.038 -2.791 -0.232 1.00 . A A . 7 GLY C 1 1 1 106 1 1 7 GLY CA C -8.265 -2.142 0.382 1.00 . A A . 7 GLY CA 1 1 1 107 1 1 7 GLY H H -8.173 -0.041 0.610 1.00 . A A . 7 GLY H 1 1 1 108 1 1 7 GLY HA2 H -8.186 -2.192 1.457 1.00 . A A . 7 GLY HA2 1 1 1 109 1 1 7 GLY HA3 H -9.142 -2.696 0.072 1.00 . A A . 7 GLY HA3 1 1 1 110 1 1 7 GLY N N -8.436 -0.756 -0.006 1.00 . A A . 7 GLY N 1 1 1 111 1 1 7 GLY O O -6.943 -4.018 -0.276 1.00 . A A . 7 GLY O 1 1 1 112 1 1 8 LYS C C -3.634 -1.800 -0.814 1.00 . A A . 8 LYS C 1 1 1 113 1 1 8 LYS CA C -4.884 -2.516 -1.321 1.00 . A A . 8 LYS CA 1 1 1 114 1 1 8 LYS CB C -4.965 -2.401 -2.844 1.00 . A A . 8 LYS CB 1 1 1 115 1 1 8 LYS CD C -4.011 -4.443 -3.956 1.00 . A A . 8 LYS CD 1 1 1 116 1 1 8 LYS CE C -3.286 -5.403 -3.025 1.00 . A A . 8 LYS CE 1 1 1 117 1 1 8 LYS CG C -3.766 -2.995 -3.565 1.00 . A A . 8 LYS CG 1 1 1 118 1 1 8 LYS H H -6.220 -1.011 -0.653 1.00 . A A . 8 LYS H 1 1 1 119 1 1 8 LYS HA H -4.815 -3.560 -1.055 1.00 . A A . 8 LYS HA 1 1 1 120 1 1 8 LYS HB2 H -5.853 -2.912 -3.186 1.00 . A A . 8 LYS HB2 1 1 1 121 1 1 8 LYS HB3 H -5.037 -1.356 -3.111 1.00 . A A . 8 LYS HB3 1 1 1 122 1 1 8 LYS HD2 H -5.070 -4.645 -3.910 1.00 . A A . 8 LYS HD2 1 1 1 123 1 1 8 LYS HD3 H -3.657 -4.598 -4.965 1.00 . A A . 8 LYS HD3 1 1 1 124 1 1 8 LYS HE2 H -2.906 -6.230 -3.606 1.00 . A A . 8 LYS HE2 1 1 1 125 1 1 8 LYS HE3 H -2.462 -4.881 -2.561 1.00 . A A . 8 LYS HE3 1 1 1 126 1 1 8 LYS HG2 H -3.573 -2.419 -4.458 1.00 . A A . 8 LYS HG2 1 1 1 127 1 1 8 LYS HG3 H -2.906 -2.947 -2.912 1.00 . A A . 8 LYS HG3 1 1 1 128 1 1 8 LYS HZ1 H -4.044 -5.403 -1.078 1.00 . A A . 8 LYS HZ1 1 1 1 129 1 1 8 LYS HZ2 H -3.980 -6.937 -1.788 1.00 . A A . 8 LYS HZ2 1 1 1 130 1 1 8 LYS HZ3 H -5.179 -5.839 -2.255 1.00 . A A . 8 LYS HZ3 1 1 1 131 1 1 8 LYS N N -6.097 -1.981 -0.710 1.00 . A A . 8 LYS N 1 1 1 132 1 1 8 LYS NZ N -4.185 -5.932 -1.962 1.00 . A A . 8 LYS NZ 1 1 1 133 1 1 8 LYS O O -3.626 -0.583 -0.643 1.00 . A A . 8 LYS O 1 1 1 134 1 1 9 TRP C C -0.337 -1.821 -1.259 1.00 . A A . 9 TRP C 1 1 1 135 1 1 9 TRP CA C -1.310 -2.033 -0.104 1.00 . A A . 9 TRP CA 1 1 1 136 1 1 9 TRP CB C -0.693 -3.001 0.897 1.00 . A A . 9 TRP CB 1 1 1 137 1 1 9 TRP CD1 C -1.704 -3.681 3.092 1.00 . A A . 9 TRP CD1 1 1 1 138 1 1 9 TRP CD2 C -0.990 -1.582 3.046 1.00 . A A . 9 TRP CD2 1 1 1 139 1 1 9 TRP CE2 C -1.518 -1.832 4.323 1.00 . A A . 9 TRP CE2 1 1 1 140 1 1 9 TRP CE3 C -0.475 -0.327 2.759 1.00 . A A . 9 TRP CE3 1 1 1 141 1 1 9 TRP CG C -1.124 -2.776 2.292 1.00 . A A . 9 TRP CG 1 1 1 142 1 1 9 TRP CH2 C -1.021 0.370 5.005 1.00 . A A . 9 TRP CH2 1 1 1 143 1 1 9 TRP CZ2 C -1.538 -0.860 5.318 1.00 . A A . 9 TRP CZ2 1 1 1 144 1 1 9 TRP CZ3 C -0.494 0.637 3.738 1.00 . A A . 9 TRP CZ3 1 1 1 145 1 1 9 TRP H H -2.650 -3.538 -0.740 1.00 . A A . 9 TRP H 1 1 1 146 1 1 9 TRP HA H -1.499 -1.087 0.387 1.00 . A A . 9 TRP HA 1 1 1 147 1 1 9 TRP HB2 H -0.955 -3.998 0.627 1.00 . A A . 9 TRP HB2 1 1 1 148 1 1 9 TRP HB3 H 0.363 -2.917 0.875 1.00 . A A . 9 TRP HB3 1 1 1 149 1 1 9 TRP HD1 H -1.926 -4.676 2.775 1.00 . A A . 9 TRP HD1 1 1 1 150 1 1 9 TRP HE1 H -2.368 -3.596 5.088 1.00 . A A . 9 TRP HE1 1 1 1 151 1 1 9 TRP HE3 H -0.060 -0.107 1.789 1.00 . A A . 9 TRP HE3 1 1 1 152 1 1 9 TRP HH2 H -1.006 1.155 5.741 1.00 . A A . 9 TRP HH2 1 1 1 153 1 1 9 TRP HZ2 H -1.942 -1.052 6.301 1.00 . A A . 9 TRP HZ2 1 1 1 154 1 1 9 TRP HZ3 H -0.105 1.618 3.526 1.00 . A A . 9 TRP HZ3 1 1 1 155 1 1 9 TRP N N -2.577 -2.573 -0.584 1.00 . A A . 9 TRP N 1 1 1 156 1 1 9 TRP NE1 N -1.952 -3.134 4.331 1.00 . A A . 9 TRP NE1 1 1 1 157 1 1 9 TRP O O -0.235 -2.657 -2.156 1.00 . A A . 9 TRP O 1 1 1 158 1 1 10 THR C C 2.717 -0.085 -1.633 1.00 . A A . 10 THR C 1 1 1 159 1 1 10 THR CA C 1.367 -0.410 -2.259 1.00 . A A . 10 THR CA 1 1 1 160 1 1 10 THR CB C 0.892 0.752 -3.133 1.00 . A A . 10 THR CB 1 1 1 161 1 1 10 THR CG2 C 1.063 0.488 -4.613 1.00 . A A . 10 THR CG2 1 1 1 162 1 1 10 THR H H 0.275 -0.088 -0.475 1.00 . A A . 10 THR H 1 1 1 163 1 1 10 THR HA H 1.475 -1.291 -2.876 1.00 . A A . 10 THR HA 1 1 1 164 1 1 10 THR HB H 1.466 1.634 -2.887 1.00 . A A . 10 THR HB 1 1 1 165 1 1 10 THR HG1 H -1.007 0.274 -3.163 1.00 . A A . 10 THR HG1 1 1 1 166 1 1 10 THR HG21 H 0.122 0.649 -5.118 1.00 . A A . 10 THR HG21 1 1 1 167 1 1 10 THR HG22 H 1.381 -0.533 -4.760 1.00 . A A . 10 THR HG22 1 1 1 168 1 1 10 THR HG23 H 1.807 1.160 -5.015 1.00 . A A . 10 THR HG23 1 1 1 169 1 1 10 THR N N 0.389 -0.711 -1.222 1.00 . A A . 10 THR N 1 1 1 170 1 1 10 THR O O 2.825 0.807 -0.793 1.00 . A A . 10 THR O 1 1 1 171 1 1 10 THR OG1 O -0.477 1.031 -2.902 1.00 . A A . 10 THR OG1 1 1 1 172 1 1 11 TRP C C 5.848 0.421 -2.317 1.00 . A A . 11 TRP C 1 1 1 173 1 1 11 TRP CA C 5.084 -0.623 -1.510 1.00 . A A . 11 TRP CA 1 1 1 174 1 1 11 TRP CB C 5.851 -1.946 -1.506 1.00 . A A . 11 TRP CB 1 1 1 175 1 1 11 TRP CD1 C 8.402 -2.129 -1.673 1.00 . A A . 11 TRP CD1 1 1 1 176 1 1 11 TRP CD2 C 7.659 -1.341 0.285 1.00 . A A . 11 TRP CD2 1 1 1 177 1 1 11 TRP CE2 C 9.065 -1.391 0.327 1.00 . A A . 11 TRP CE2 1 1 1 178 1 1 11 TRP CE3 C 6.968 -0.875 1.406 1.00 . A A . 11 TRP CE3 1 1 1 179 1 1 11 TRP CG C 7.255 -1.818 -1.001 1.00 . A A . 11 TRP CG 1 1 1 180 1 1 11 TRP CH2 C 9.087 -0.541 2.530 1.00 . A A . 11 TRP CH2 1 1 1 181 1 1 11 TRP CZ2 C 9.791 -0.993 1.447 1.00 . A A . 11 TRP CZ2 1 1 1 182 1 1 11 TRP CZ3 C 7.688 -0.481 2.515 1.00 . A A . 11 TRP CZ3 1 1 1 183 1 1 11 TRP H H 3.592 -1.526 -2.706 1.00 . A A . 11 TRP H 1 1 1 184 1 1 11 TRP HA H 4.988 -0.273 -0.493 1.00 . A A . 11 TRP HA 1 1 1 185 1 1 11 TRP HB2 H 5.331 -2.649 -0.872 1.00 . A A . 11 TRP HB2 1 1 1 186 1 1 11 TRP HB3 H 5.890 -2.335 -2.512 1.00 . A A . 11 TRP HB3 1 1 1 187 1 1 11 TRP HD1 H 8.430 -2.518 -2.680 1.00 . A A . 11 TRP HD1 1 1 1 188 1 1 11 TRP HE1 H 10.430 -2.020 -1.137 1.00 . A A . 11 TRP HE1 1 1 1 189 1 1 11 TRP HE3 H 5.889 -0.821 1.413 1.00 . A A . 11 TRP HE3 1 1 1 190 1 1 11 TRP HH2 H 9.609 -0.222 3.420 1.00 . A A . 11 TRP HH2 1 1 1 191 1 1 11 TRP HZ2 H 10.870 -1.033 1.473 1.00 . A A . 11 TRP HZ2 1 1 1 192 1 1 11 TRP HZ3 H 7.169 -0.118 3.389 1.00 . A A . 11 TRP HZ3 1 1 1 193 1 1 11 TRP N N 3.743 -0.824 -2.040 1.00 . A A . 11 TRP N 1 1 1 194 1 1 11 TRP NE1 N 9.495 -1.877 -0.880 1.00 . A A . 11 TRP NE1 1 1 1 195 1 1 11 TRP O O 5.616 0.588 -3.514 1.00 . A A . 11 TRP O 1 1 1 196 1 1 12 LYS C C 8.494 2.828 -1.300 1.00 . A A . 12 LYS C 1 1 1 197 1 1 12 LYS CA C 7.566 2.148 -2.302 1.00 . A A . 12 LYS CA 1 1 1 198 1 1 12 LYS CB C 6.665 3.190 -2.968 1.00 . A A . 12 LYS CB 1 1 1 199 1 1 12 LYS CD C 4.346 4.157 -2.922 1.00 . A A . 12 LYS CD 1 1 1 200 1 1 12 LYS CE C 3.603 3.011 -3.591 1.00 . A A . 12 LYS CE 1 1 1 201 1 1 12 LYS CG C 5.515 3.654 -2.090 1.00 . A A . 12 LYS CG 1 1 1 202 1 1 12 LYS H H 6.901 0.937 -0.695 1.00 . A A . 12 LYS H 1 1 1 203 1 1 12 LYS HA H 8.166 1.666 -3.059 1.00 . A A . 12 LYS HA 1 1 1 204 1 1 12 LYS HB2 H 7.262 4.053 -3.226 1.00 . A A . 12 LYS HB2 1 1 1 205 1 1 12 LYS HB3 H 6.252 2.767 -3.872 1.00 . A A . 12 LYS HB3 1 1 1 206 1 1 12 LYS HD2 H 3.661 4.689 -2.279 1.00 . A A . 12 LYS HD2 1 1 1 207 1 1 12 LYS HD3 H 4.721 4.825 -3.684 1.00 . A A . 12 LYS HD3 1 1 1 208 1 1 12 LYS HE2 H 3.850 2.092 -3.082 1.00 . A A . 12 LYS HE2 1 1 1 209 1 1 12 LYS HE3 H 2.542 3.193 -3.511 1.00 . A A . 12 LYS HE3 1 1 1 210 1 1 12 LYS HG2 H 5.180 2.825 -1.483 1.00 . A A . 12 LYS HG2 1 1 1 211 1 1 12 LYS HG3 H 5.861 4.453 -1.452 1.00 . A A . 12 LYS HG3 1 1 1 212 1 1 12 LYS HZ1 H 3.136 2.576 -5.580 1.00 . A A . 12 LYS HZ1 1 1 1 213 1 1 12 LYS HZ2 H 4.720 2.174 -5.145 1.00 . A A . 12 LYS HZ2 1 1 1 214 1 1 12 LYS HZ3 H 4.300 3.792 -5.399 1.00 . A A . 12 LYS HZ3 1 1 1 215 1 1 12 LYS N N 6.762 1.119 -1.650 1.00 . A A . 12 LYS N 1 1 1 216 1 1 12 LYS NZ N 3.965 2.879 -5.030 1.00 . A A . 12 LYS NZ 1 1 1 217 1 1 12 LYS O O 8.042 3.531 -0.397 1.00 . A A . 12 LYS O 1 1 1 218 1 1 13 NH2 N N 9.787 2.533 -1.382 1.00 . A A . 13 NH2 N 1 1 2 219 1 1 1 SER C C 5.486 2.023 3.263 1.00 . A A . 1 SER C 1 1 2 220 1 1 1 SER CA C 6.466 2.656 4.246 1.00 . A A . 1 SER CA 1 1 2 221 1 1 1 SER CB C 5.966 4.038 4.673 1.00 . A A . 1 SER CB 1 1 2 222 1 1 1 SER H1 H 7.701 3.316 2.739 1.00 . A A . 1 SER H1 1 1 2 223 1 1 1 SER H2 H 8.201 1.853 3.485 1.00 . A A . 1 SER H2 1 1 2 224 1 1 1 SER H3 H 8.402 3.349 4.302 1.00 . A A . 1 SER H3 1 1 2 225 1 1 1 SER HA H 6.550 2.023 5.116 1.00 . A A . 1 SER HA 1 1 2 226 1 1 1 SER HB2 H 4.931 3.967 4.971 1.00 . A A . 1 SER HB2 1 1 2 227 1 1 1 SER HB3 H 6.558 4.390 5.505 1.00 . A A . 1 SER HB3 1 1 2 228 1 1 1 SER HG H 5.368 5.618 3.682 1.00 . A A . 1 SER HG 1 1 2 229 1 1 1 SER N N 7.814 2.807 3.638 1.00 . A A . 1 SER N 1 1 2 230 1 1 1 SER O O 5.782 1.890 2.075 1.00 . A A . 1 SER O 1 1 2 231 1 1 1 SER OG O 6.072 4.969 3.610 1.00 . A A . 1 SER OG 1 1 2 232 1 1 2 TRP C C 2.176 2.001 2.628 1.00 . A A . 2 TRP C 1 1 2 233 1 1 2 TRP CA C 3.296 1.016 2.931 1.00 . A A . 2 TRP CA 1 1 2 234 1 1 2 TRP CB C 2.742 -0.236 3.617 1.00 . A A . 2 TRP CB 1 1 2 235 1 1 2 TRP CD1 C 4.533 -2.042 3.923 1.00 . A A . 2 TRP CD1 1 1 2 236 1 1 2 TRP CD2 C 3.309 -2.263 2.062 1.00 . A A . 2 TRP CD2 1 1 2 237 1 1 2 TRP CE2 C 4.259 -3.300 2.097 1.00 . A A . 2 TRP CE2 1 1 2 238 1 1 2 TRP CE3 C 2.424 -2.199 0.983 1.00 . A A . 2 TRP CE3 1 1 2 239 1 1 2 TRP CG C 3.502 -1.468 3.237 1.00 . A A . 2 TRP CG 1 1 2 240 1 1 2 TRP CH2 C 3.471 -4.165 0.045 1.00 . A A . 2 TRP CH2 1 1 2 241 1 1 2 TRP CZ2 C 4.350 -4.260 1.091 1.00 . A A . 2 TRP CZ2 1 1 2 242 1 1 2 TRP CZ3 C 2.513 -3.145 -0.009 1.00 . A A . 2 TRP CZ3 1 1 2 243 1 1 2 TRP H H 4.141 1.768 4.720 1.00 . A A . 2 TRP H 1 1 2 244 1 1 2 TRP HA H 3.762 0.727 2.000 1.00 . A A . 2 TRP HA 1 1 2 245 1 1 2 TRP HB2 H 2.803 -0.113 4.689 1.00 . A A . 2 TRP HB2 1 1 2 246 1 1 2 TRP HB3 H 1.712 -0.372 3.333 1.00 . A A . 2 TRP HB3 1 1 2 247 1 1 2 TRP HD1 H 4.921 -1.672 4.860 1.00 . A A . 2 TRP HD1 1 1 2 248 1 1 2 TRP HE1 H 5.732 -3.722 3.531 1.00 . A A . 2 TRP HE1 1 1 2 249 1 1 2 TRP HE3 H 1.663 -1.437 0.922 1.00 . A A . 2 TRP HE3 1 1 2 250 1 1 2 TRP HH2 H 3.505 -4.887 -0.758 1.00 . A A . 2 TRP HH2 1 1 2 251 1 1 2 TRP HZ2 H 5.084 -5.052 1.120 1.00 . A A . 2 TRP HZ2 1 1 2 252 1 1 2 TRP HZ3 H 1.839 -3.093 -0.849 1.00 . A A . 2 TRP HZ3 1 1 2 253 1 1 2 TRP N N 4.319 1.635 3.765 1.00 . A A . 2 TRP N 1 1 2 254 1 1 2 TRP NE1 N 4.996 -3.144 3.243 1.00 . A A . 2 TRP NE1 1 1 2 255 1 1 2 TRP O O 1.928 2.924 3.405 1.00 . A A . 2 TRP O 1 1 2 256 1 1 3 THR C C -0.897 1.942 0.956 1.00 . A A . 3 THR C 1 1 2 257 1 1 3 THR CA C 0.409 2.708 1.119 1.00 . A A . 3 THR CA 1 1 2 258 1 1 3 THR CB C 0.746 3.454 -0.175 1.00 . A A . 3 THR CB 1 1 2 259 1 1 3 THR CG2 C 2.205 3.844 -0.284 1.00 . A A . 3 THR CG2 1 1 2 260 1 1 3 THR H H 1.735 1.055 0.907 1.00 . A A . 3 THR H 1 1 2 261 1 1 3 THR HA H 0.287 3.429 1.914 1.00 . A A . 3 THR HA 1 1 2 262 1 1 3 THR HB H 0.159 4.361 -0.217 1.00 . A A . 3 THR HB 1 1 2 263 1 1 3 THR HG1 H -0.367 3.013 -1.723 1.00 . A A . 3 THR HG1 1 1 2 264 1 1 3 THR HG21 H 2.714 3.155 -0.942 1.00 . A A . 3 THR HG21 1 1 2 265 1 1 3 THR HG22 H 2.661 3.811 0.694 1.00 . A A . 3 THR HG22 1 1 2 266 1 1 3 THR HG23 H 2.281 4.845 -0.683 1.00 . A A . 3 THR HG23 1 1 2 267 1 1 3 THR N N 1.499 1.811 1.497 1.00 . A A . 3 THR N 1 1 2 268 1 1 3 THR O O -0.997 1.027 0.140 1.00 . A A . 3 THR O 1 1 2 269 1 1 3 THR OG1 O 0.426 2.667 -1.307 1.00 . A A . 3 THR OG1 1 1 2 270 1 1 4 TRP C C -4.137 2.435 0.767 1.00 . A A . 4 TRP C 1 1 2 271 1 1 4 TRP CA C -3.199 1.683 1.708 1.00 . A A . 4 TRP CA 1 1 2 272 1 1 4 TRP CB C -3.786 1.650 3.120 1.00 . A A . 4 TRP CB 1 1 2 273 1 1 4 TRP CD1 C -6.073 0.923 3.936 1.00 . A A . 4 TRP CD1 1 1 2 274 1 1 4 TRP CD2 C -4.928 -0.662 2.885 1.00 . A A . 4 TRP CD2 1 1 2 275 1 1 4 TRP CE2 C -6.163 -1.202 3.270 1.00 . A A . 4 TRP CE2 1 1 2 276 1 1 4 TRP CE3 C -4.021 -1.454 2.211 1.00 . A A . 4 TRP CE3 1 1 2 277 1 1 4 TRP CG C -4.900 0.687 3.306 1.00 . A A . 4 TRP CG 1 1 2 278 1 1 4 TRP CH2 C -5.597 -3.289 2.326 1.00 . A A . 4 TRP CH2 1 1 2 279 1 1 4 TRP CZ2 C -6.512 -2.520 2.996 1.00 . A A . 4 TRP CZ2 1 1 2 280 1 1 4 TRP CZ3 C -4.356 -2.767 1.935 1.00 . A A . 4 TRP CZ3 1 1 2 281 1 1 4 TRP H H -1.742 3.062 2.373 1.00 . A A . 4 TRP H 1 1 2 282 1 1 4 TRP HA H -3.070 0.676 1.349 1.00 . A A . 4 TRP HA 1 1 2 283 1 1 4 TRP HB2 H -3.023 1.395 3.826 1.00 . A A . 4 TRP HB2 1 1 2 284 1 1 4 TRP HB3 H -4.152 2.615 3.349 1.00 . A A . 4 TRP HB3 1 1 2 285 1 1 4 TRP HD1 H -6.331 1.868 4.376 1.00 . A A . 4 TRP HD1 1 1 2 286 1 1 4 TRP HE1 H -7.754 -0.291 4.298 1.00 . A A . 4 TRP HE1 1 1 2 287 1 1 4 TRP HE3 H -3.068 -1.050 1.914 1.00 . A A . 4 TRP HE3 1 1 2 288 1 1 4 TRP HH2 H -5.821 -4.319 2.093 1.00 . A A . 4 TRP HH2 1 1 2 289 1 1 4 TRP HZ2 H -7.466 -2.931 3.287 1.00 . A A . 4 TRP HZ2 1 1 2 290 1 1 4 TRP HZ3 H -3.658 -3.402 1.409 1.00 . A A . 4 TRP HZ3 1 1 2 291 1 1 4 TRP N N -1.892 2.326 1.744 1.00 . A A . 4 TRP N 1 1 2 292 1 1 4 TRP NE1 N -6.855 -0.209 3.915 1.00 . A A . 4 TRP NE1 1 1 2 293 1 1 4 TRP O O -4.379 3.629 0.946 1.00 . A A . 4 TRP O 1 1 2 294 1 1 5 GLU C C -6.707 1.432 -1.587 1.00 . A A . 5 GLU C 1 1 2 295 1 1 5 GLU CA C -5.555 2.359 -1.205 1.00 . A A . 5 GLU CA 1 1 2 296 1 1 5 GLU CB C -4.781 2.765 -2.461 1.00 . A A . 5 GLU CB 1 1 2 297 1 1 5 GLU CD C -4.997 5.189 -3.139 1.00 . A A . 5 GLU CD 1 1 2 298 1 1 5 GLU CG C -4.182 4.160 -2.381 1.00 . A A . 5 GLU CG 1 1 2 299 1 1 5 GLU H H -4.422 0.792 -0.339 1.00 . A A . 5 GLU H 1 1 2 300 1 1 5 GLU HA H -5.964 3.247 -0.748 1.00 . A A . 5 GLU HA 1 1 2 301 1 1 5 GLU HB2 H -3.978 2.061 -2.618 1.00 . A A . 5 GLU HB2 1 1 2 302 1 1 5 GLU HB3 H -5.449 2.732 -3.308 1.00 . A A . 5 GLU HB3 1 1 2 303 1 1 5 GLU HG2 H -4.130 4.457 -1.344 1.00 . A A . 5 GLU HG2 1 1 2 304 1 1 5 GLU HG3 H -3.185 4.134 -2.797 1.00 . A A . 5 GLU HG3 1 1 2 305 1 1 5 GLU N N -4.655 1.738 -0.240 1.00 . A A . 5 GLU N 1 1 2 306 1 1 5 GLU O O -6.503 0.392 -2.214 1.00 . A A . 5 GLU O 1 1 2 307 1 1 5 GLU OE1 O -4.455 5.794 -4.088 1.00 . A A . 5 GLU OE1 1 1 2 308 1 1 5 GLU OE2 O -6.178 5.390 -2.784 1.00 . A A . 5 GLU OE2 1 1 2 309 1 1 6 ASN C C -8.970 -0.420 -1.205 1.00 . A A . 6 ASN C 1 1 2 310 1 1 6 ASN CA C -9.124 1.066 -1.535 1.00 . A A . 6 ASN CA 1 1 2 311 1 1 6 ASN CB C -9.483 1.241 -3.013 1.00 . A A . 6 ASN CB 1 1 2 312 1 1 6 ASN CG C -10.901 1.741 -3.206 1.00 . A A . 6 ASN CG 1 1 2 313 1 1 6 ASN H H -8.012 2.681 -0.737 1.00 . A A . 6 ASN H 1 1 2 314 1 1 6 ASN HA H -9.930 1.466 -0.937 1.00 . A A . 6 ASN HA 1 1 2 315 1 1 6 ASN HB2 H -8.806 1.959 -3.458 1.00 . A A . 6 ASN HB2 1 1 2 316 1 1 6 ASN HB3 H -9.382 0.291 -3.521 1.00 . A A . 6 ASN HB3 1 1 2 317 1 1 6 ASN HD21 H -11.540 0.579 -1.724 1.00 . A A . 6 ASN HD21 1 1 2 318 1 1 6 ASN HD22 H -12.746 1.545 -2.492 1.00 . A A . 6 ASN HD22 1 1 2 319 1 1 6 ASN N N -7.920 1.834 -1.220 1.00 . A A . 6 ASN N 1 1 2 320 1 1 6 ASN ND2 N -11.822 1.237 -2.392 1.00 . A A . 6 ASN ND2 1 1 2 321 1 1 6 ASN O O -9.340 -1.281 -2.003 1.00 . A A . 6 ASN O 1 1 2 322 1 1 6 ASN OD1 O -11.167 2.571 -4.076 1.00 . A A . 6 ASN OD1 1 1 2 323 1 1 7 GLY C C -7.055 -2.764 -0.223 1.00 . A A . 7 GLY C 1 1 2 324 1 1 7 GLY CA C -8.282 -2.103 0.380 1.00 . A A . 7 GLY CA 1 1 2 325 1 1 7 GLY H H -8.178 -0.001 0.588 1.00 . A A . 7 GLY H 1 1 2 326 1 1 7 GLY HA2 H -8.207 -2.144 1.456 1.00 . A A . 7 GLY HA2 1 1 2 327 1 1 7 GLY HA3 H -9.160 -2.656 0.070 1.00 . A A . 7 GLY HA3 1 1 2 328 1 1 7 GLY N N -8.444 -0.720 -0.021 1.00 . A A . 7 GLY N 1 1 2 329 1 1 7 GLY O O -6.966 -3.991 -0.257 1.00 . A A . 7 GLY O 1 1 2 330 1 1 8 LYS C C -3.642 -1.796 -0.794 1.00 . A A . 8 LYS C 1 1 2 331 1 1 8 LYS CA C -4.893 -2.509 -1.302 1.00 . A A . 8 LYS CA 1 1 2 332 1 1 8 LYS CB C -4.965 -2.405 -2.826 1.00 . A A . 8 LYS CB 1 1 2 333 1 1 8 LYS CD C -3.960 -4.488 -3.814 1.00 . A A . 8 LYS CD 1 1 2 334 1 1 8 LYS CE C -3.158 -5.348 -2.851 1.00 . A A . 8 LYS CE 1 1 2 335 1 1 8 LYS CG C -3.762 -3.005 -3.536 1.00 . A A . 8 LYS CG 1 1 2 336 1 1 8 LYS H H -6.225 -0.991 -0.653 1.00 . A A . 8 LYS H 1 1 2 337 1 1 8 LYS HA H -4.831 -3.552 -1.028 1.00 . A A . 8 LYS HA 1 1 2 338 1 1 8 LYS HB2 H -5.851 -2.919 -3.169 1.00 . A A . 8 LYS HB2 1 1 2 339 1 1 8 LYS HB3 H -5.035 -1.363 -3.101 1.00 . A A . 8 LYS HB3 1 1 2 340 1 1 8 LYS HD2 H -5.007 -4.728 -3.708 1.00 . A A . 8 LYS HD2 1 1 2 341 1 1 8 LYS HD3 H -3.641 -4.700 -4.824 1.00 . A A . 8 LYS HD3 1 1 2 342 1 1 8 LYS HE2 H -2.727 -6.173 -3.398 1.00 . A A . 8 LYS HE2 1 1 2 343 1 1 8 LYS HE3 H -2.368 -4.748 -2.424 1.00 . A A . 8 LYS HE3 1 1 2 344 1 1 8 LYS HG2 H -3.616 -2.491 -4.474 1.00 . A A . 8 LYS HG2 1 1 2 345 1 1 8 LYS HG3 H -2.889 -2.878 -2.913 1.00 . A A . 8 LYS HG3 1 1 2 346 1 1 8 LYS HZ1 H -3.891 -5.308 -0.895 1.00 . A A . 8 LYS HZ1 1 1 2 347 1 1 8 LYS HZ2 H -3.725 -6.866 -1.532 1.00 . A A . 8 LYS HZ2 1 1 2 348 1 1 8 LYS HZ3 H -5.006 -5.880 -2.032 1.00 . A A . 8 LYS HZ3 1 1 2 349 1 1 8 LYS N N -6.107 -1.963 -0.702 1.00 . A A . 8 LYS N 1 1 2 350 1 1 8 LYS NZ N -4.004 -5.888 -1.750 1.00 . A A . 8 LYS NZ 1 1 2 351 1 1 8 LYS O O -3.628 -0.577 -0.632 1.00 . A A . 8 LYS O 1 1 2 352 1 1 9 TRP C C -0.338 -1.847 -1.217 1.00 . A A . 9 TRP C 1 1 2 353 1 1 9 TRP CA C -1.323 -2.036 -0.068 1.00 . A A . 9 TRP CA 1 1 2 354 1 1 9 TRP CB C -0.722 -2.995 0.949 1.00 . A A . 9 TRP CB 1 1 2 355 1 1 9 TRP CD1 C -1.754 -3.639 3.146 1.00 . A A . 9 TRP CD1 1 1 2 356 1 1 9 TRP CD2 C -1.025 -1.546 3.077 1.00 . A A . 9 TRP CD2 1 1 2 357 1 1 9 TRP CE2 C -1.563 -1.776 4.353 1.00 . A A . 9 TRP CE2 1 1 2 358 1 1 9 TRP CE3 C -0.500 -0.298 2.778 1.00 . A A . 9 TRP CE3 1 1 2 359 1 1 9 TRP CG C -1.162 -2.748 2.338 1.00 . A A . 9 TRP CG 1 1 2 360 1 1 9 TRP CH2 C -1.057 0.431 5.011 1.00 . A A . 9 TRP CH2 1 1 2 361 1 1 9 TRP CZ2 C -1.584 -0.791 5.336 1.00 . A A . 9 TRP CZ2 1 1 2 362 1 1 9 TRP CZ3 C -0.519 0.679 3.744 1.00 . A A . 9 TRP CZ3 1 1 2 363 1 1 9 TRP H H -2.668 -3.539 -0.699 1.00 . A A . 9 TRP H 1 1 2 364 1 1 9 TRP HA H -1.509 -1.082 0.408 1.00 . A A . 9 TRP HA 1 1 2 365 1 1 9 TRP HB2 H -0.990 -3.994 0.691 1.00 . A A . 9 TRP HB2 1 1 2 366 1 1 9 TRP HB3 H 0.335 -2.920 0.935 1.00 . A A . 9 TRP HB3 1 1 2 367 1 1 9 TRP HD1 H -1.980 -4.637 2.840 1.00 . A A . 9 TRP HD1 1 1 2 368 1 1 9 TRP HE1 H -2.431 -3.524 5.136 1.00 . A A . 9 TRP HE1 1 1 2 369 1 1 9 TRP HE3 H -0.076 -0.093 1.808 1.00 . A A . 9 TRP HE3 1 1 2 370 1 1 9 TRP HH2 H -1.042 1.226 5.736 1.00 . A A . 9 TRP HH2 1 1 2 371 1 1 9 TRP HZ2 H -1.996 -0.968 6.318 1.00 . A A . 9 TRP HZ2 1 1 2 372 1 1 9 TRP HZ3 H -0.122 1.655 3.522 1.00 . A A . 9 TRP HZ3 1 1 2 373 1 1 9 TRP N N -2.590 -2.572 -0.551 1.00 . A A . 9 TRP N 1 1 2 374 1 1 9 TRP NE1 N -2.006 -3.075 4.375 1.00 . A A . 9 TRP NE1 1 1 2 375 1 1 9 TRP O O -0.237 -2.694 -2.104 1.00 . A A . 9 TRP O 1 1 2 376 1 1 10 THR C C 2.739 -0.148 -1.579 1.00 . A A . 10 THR C 1 1 2 377 1 1 10 THR CA C 1.391 -0.466 -2.216 1.00 . A A . 10 THR CA 1 1 2 378 1 1 10 THR CB C 0.938 0.691 -3.109 1.00 . A A . 10 THR CB 1 1 2 379 1 1 10 THR CG2 C 1.118 0.405 -4.583 1.00 . A A . 10 THR CG2 1 1 2 380 1 1 10 THR H H 0.286 -0.112 -0.446 1.00 . A A . 10 THR H 1 1 2 381 1 1 10 THR HA H 1.497 -1.355 -2.820 1.00 . A A . 10 THR HA 1 1 2 382 1 1 10 THR HB H 1.519 1.569 -2.870 1.00 . A A . 10 THR HB 1 1 2 383 1 1 10 THR HG1 H -0.675 1.763 -3.404 1.00 . A A . 10 THR HG1 1 1 2 384 1 1 10 THR HG21 H 1.881 1.054 -4.986 1.00 . A A . 10 THR HG21 1 1 2 385 1 1 10 THR HG22 H 0.186 0.580 -5.100 1.00 . A A . 10 THR HG22 1 1 2 386 1 1 10 THR HG23 H 1.415 -0.625 -4.715 1.00 . A A . 10 THR HG23 1 1 2 387 1 1 10 THR N N 0.400 -0.745 -1.186 1.00 . A A . 10 THR N 1 1 2 388 1 1 10 THR O O 2.847 0.753 -0.747 1.00 . A A . 10 THR O 1 1 2 389 1 1 10 THR OG1 O -0.431 0.987 -2.893 1.00 . A A . 10 THR OG1 1 1 2 390 1 1 11 TRP C C 5.882 0.319 -2.230 1.00 . A A . 11 TRP C 1 1 2 391 1 1 11 TRP CA C 5.099 -0.710 -1.423 1.00 . A A . 11 TRP CA 1 1 2 392 1 1 11 TRP CB C 5.852 -2.040 -1.398 1.00 . A A . 11 TRP CB 1 1 2 393 1 1 11 TRP CD1 C 8.403 -2.255 -1.522 1.00 . A A . 11 TRP CD1 1 1 2 394 1 1 11 TRP CD2 C 7.639 -1.434 0.415 1.00 . A A . 11 TRP CD2 1 1 2 395 1 1 11 TRP CE2 C 9.043 -1.500 0.480 1.00 . A A . 11 TRP CE2 1 1 2 396 1 1 11 TRP CE3 C 6.935 -0.948 1.518 1.00 . A A . 11 TRP CE3 1 1 2 397 1 1 11 TRP CG C 7.249 -1.923 -0.872 1.00 . A A . 11 TRP CG 1 1 2 398 1 1 11 TRP CH2 C 9.040 -0.624 2.672 1.00 . A A . 11 TRP CH2 1 1 2 399 1 1 11 TRP CZ2 C 9.755 -1.097 1.606 1.00 . A A . 11 TRP CZ2 1 1 2 400 1 1 11 TRP CZ3 C 7.642 -0.548 2.635 1.00 . A A . 11 TRP CZ3 1 1 2 401 1 1 11 TRP H H 3.610 -1.611 -2.626 1.00 . A A . 11 TRP H 1 1 2 402 1 1 11 TRP HA H 4.995 -0.350 -0.411 1.00 . A A . 11 TRP HA 1 1 2 403 1 1 11 TRP HB2 H 5.315 -2.735 -0.769 1.00 . A A . 11 TRP HB2 1 1 2 404 1 1 11 TRP HB3 H 5.903 -2.436 -2.402 1.00 . A A . 11 TRP HB3 1 1 2 405 1 1 11 TRP HD1 H 8.443 -2.656 -2.524 1.00 . A A . 11 TRP HD1 1 1 2 406 1 1 11 TRP HE1 H 10.424 -2.162 -0.955 1.00 . A A . 11 TRP HE1 1 1 2 407 1 1 11 TRP HE3 H 5.857 -0.881 1.508 1.00 . A A . 11 TRP HE3 1 1 2 408 1 1 11 TRP HH2 H 9.551 -0.301 3.567 1.00 . A A . 11 TRP HH2 1 1 2 409 1 1 11 TRP HZ2 H 10.833 -1.150 1.650 1.00 . A A . 11 TRP HZ2 1 1 2 410 1 1 11 TRP HZ3 H 7.113 -0.170 3.495 1.00 . A A . 11 TRP HZ3 1 1 2 411 1 1 11 TRP N N 3.761 -0.902 -1.966 1.00 . A A . 11 TRP N 1 1 2 412 1 1 11 TRP NE1 N 9.487 -2.005 -0.715 1.00 . A A . 11 TRP NE1 1 1 2 413 1 1 11 TRP O O 5.642 0.503 -3.424 1.00 . A A . 11 TRP O 1 1 2 414 1 1 12 LYS C C 8.664 2.581 -1.243 1.00 . A A . 12 LYS C 1 1 2 415 1 1 12 LYS CA C 7.649 1.995 -2.220 1.00 . A A . 12 LYS CA 1 1 2 416 1 1 12 LYS CB C 6.772 3.109 -2.797 1.00 . A A . 12 LYS CB 1 1 2 417 1 1 12 LYS CD C 5.198 3.434 -4.730 1.00 . A A . 12 LYS CD 1 1 2 418 1 1 12 LYS CE C 4.808 2.789 -6.050 1.00 . A A . 12 LYS CE 1 1 2 419 1 1 12 LYS CG C 6.600 3.029 -4.305 1.00 . A A . 12 LYS CG 1 1 2 420 1 1 12 LYS H H 6.968 0.790 -0.617 1.00 . A A . 12 LYS H 1 1 2 421 1 1 12 LYS HA H 8.182 1.514 -3.027 1.00 . A A . 12 LYS HA 1 1 2 422 1 1 12 LYS HB2 H 5.794 3.053 -2.342 1.00 . A A . 12 LYS HB2 1 1 2 423 1 1 12 LYS HB3 H 7.216 4.065 -2.558 1.00 . A A . 12 LYS HB3 1 1 2 424 1 1 12 LYS HD2 H 4.498 3.122 -3.969 1.00 . A A . 12 LYS HD2 1 1 2 425 1 1 12 LYS HD3 H 5.161 4.508 -4.838 1.00 . A A . 12 LYS HD3 1 1 2 426 1 1 12 LYS HE2 H 5.540 3.059 -6.798 1.00 . A A . 12 LYS HE2 1 1 2 427 1 1 12 LYS HE3 H 4.802 1.716 -5.925 1.00 . A A . 12 LYS HE3 1 1 2 428 1 1 12 LYS HG2 H 7.312 3.691 -4.775 1.00 . A A . 12 LYS HG2 1 1 2 429 1 1 12 LYS HG3 H 6.785 2.014 -4.625 1.00 . A A . 12 LYS HG3 1 1 2 430 1 1 12 LYS HZ1 H 3.553 4.048 -7.148 1.00 . A A . 12 LYS HZ1 1 1 2 431 1 1 12 LYS HZ2 H 2.880 3.508 -5.693 1.00 . A A . 12 LYS HZ2 1 1 2 432 1 1 12 LYS HZ3 H 2.986 2.459 -7.016 1.00 . A A . 12 LYS HZ3 1 1 2 433 1 1 12 LYS N N 6.824 0.985 -1.568 1.00 . A A . 12 LYS N 1 1 2 434 1 1 12 LYS NZ N 3.463 3.232 -6.509 1.00 . A A . 12 LYS NZ 1 1 2 435 1 1 12 LYS O O 8.955 1.987 -0.205 1.00 . A A . 12 LYS O 1 1 2 436 1 1 13 NH2 N N 9.293 3.687 -1.621 1.00 . A A . 13 NH2 N 1 1 3 437 1 1 1 SER C C 5.535 1.964 3.117 1.00 . A A . 1 SER C 1 1 3 438 1 1 1 SER CA C 6.522 2.621 4.075 1.00 . A A . 1 SER CA 1 1 3 439 1 1 1 SER CB C 5.865 3.813 4.774 1.00 . A A . 1 SER CB 1 1 3 440 1 1 1 SER H1 H 7.467 3.959 2.830 1.00 . A A . 1 SER H1 1 1 3 441 1 1 1 SER H2 H 8.038 2.345 2.712 1.00 . A A . 1 SER H2 1 1 3 442 1 1 1 SER H3 H 8.461 3.310 4.067 1.00 . A A . 1 SER H3 1 1 3 443 1 1 1 SER HA H 6.828 1.899 4.817 1.00 . A A . 1 SER HA 1 1 3 444 1 1 1 SER HB2 H 6.625 4.406 5.261 1.00 . A A . 1 SER HB2 1 1 3 445 1 1 1 SER HB3 H 5.351 4.418 4.042 1.00 . A A . 1 SER HB3 1 1 3 446 1 1 1 SER HG H 5.320 2.683 6.279 1.00 . A A . 1 SER HG 1 1 3 447 1 1 1 SER N N 7.731 3.102 3.356 1.00 . A A . 1 SER N 1 1 3 448 1 1 1 SER O O 5.842 1.750 1.944 1.00 . A A . 1 SER O 1 1 3 449 1 1 1 SER OG O 4.930 3.382 5.748 1.00 . A A . 1 SER OG 1 1 3 450 1 1 2 TRP C C 2.180 1.986 2.525 1.00 . A A . 2 TRP C 1 1 3 451 1 1 2 TRP CA C 3.316 1.011 2.812 1.00 . A A . 2 TRP CA 1 1 3 452 1 1 2 TRP CB C 2.787 -0.241 3.517 1.00 . A A . 2 TRP CB 1 1 3 453 1 1 2 TRP CD1 C 4.552 -2.077 3.797 1.00 . A A . 2 TRP CD1 1 1 3 454 1 1 2 TRP CD2 C 3.331 -2.250 1.929 1.00 . A A . 2 TRP CD2 1 1 3 455 1 1 2 TRP CE2 C 4.266 -3.302 1.952 1.00 . A A . 2 TRP CE2 1 1 3 456 1 1 2 TRP CE3 C 2.451 -2.157 0.848 1.00 . A A . 2 TRP CE3 1 1 3 457 1 1 2 TRP CG C 3.532 -1.477 3.117 1.00 . A A . 2 TRP CG 1 1 3 458 1 1 2 TRP CH2 C 3.473 -4.125 -0.116 1.00 . A A . 2 TRP CH2 1 1 3 459 1 1 2 TRP CZ2 C 4.346 -4.248 0.931 1.00 . A A . 2 TRP CZ2 1 1 3 460 1 1 2 TRP CZ3 C 2.531 -3.091 -0.159 1.00 . A A . 2 TRP CZ3 1 1 3 461 1 1 2 TRP H H 4.163 1.840 4.566 1.00 . A A . 2 TRP H 1 1 3 462 1 1 2 TRP HA H 3.767 0.720 1.875 1.00 . A A . 2 TRP HA 1 1 3 463 1 1 2 TRP HB2 H 2.882 -0.116 4.586 1.00 . A A . 2 TRP HB2 1 1 3 464 1 1 2 TRP HB3 H 1.748 -0.377 3.268 1.00 . A A . 2 TRP HB3 1 1 3 465 1 1 2 TRP HD1 H 4.942 -1.728 4.742 1.00 . A A . 2 TRP HD1 1 1 3 466 1 1 2 TRP HE1 H 5.727 -3.769 3.384 1.00 . A A . 2 TRP HE1 1 1 3 467 1 1 2 TRP HE3 H 1.702 -1.383 0.796 1.00 . A A . 2 TRP HE3 1 1 3 468 1 1 2 TRP HH2 H 3.499 -4.835 -0.930 1.00 . A A . 2 TRP HH2 1 1 3 469 1 1 2 TRP HZ2 H 5.068 -5.051 0.951 1.00 . A A . 2 TRP HZ2 1 1 3 470 1 1 2 TRP HZ3 H 1.860 -3.017 -1.001 1.00 . A A . 2 TRP HZ3 1 1 3 471 1 1 2 TRP N N 4.349 1.645 3.623 1.00 . A A . 2 TRP N 1 1 3 472 1 1 2 TRP NE1 N 5.001 -3.175 3.102 1.00 . A A . 2 TRP NE1 1 1 3 473 1 1 2 TRP O O 1.899 2.875 3.329 1.00 . A A . 2 TRP O 1 1 3 474 1 1 3 THR C C -0.880 1.938 0.885 1.00 . A A . 3 THR C 1 1 3 475 1 1 3 THR CA C 0.428 2.709 1.001 1.00 . A A . 3 THR CA 1 1 3 476 1 1 3 THR CB C 0.736 3.411 -0.322 1.00 . A A . 3 THR CB 1 1 3 477 1 1 3 THR CG2 C -0.259 4.497 -0.669 1.00 . A A . 3 THR CG2 1 1 3 478 1 1 3 THR H H 1.795 1.096 0.764 1.00 . A A . 3 THR H 1 1 3 479 1 1 3 THR HA H 0.325 3.453 1.776 1.00 . A A . 3 THR HA 1 1 3 480 1 1 3 THR HB H 0.719 2.681 -1.118 1.00 . A A . 3 THR HB 1 1 3 481 1 1 3 THR HG1 H 2.191 4.455 -1.118 1.00 . A A . 3 THR HG1 1 1 3 482 1 1 3 THR HG21 H 0.218 5.463 -0.587 1.00 . A A . 3 THR HG21 1 1 3 483 1 1 3 THR HG22 H -1.095 4.450 0.014 1.00 . A A . 3 THR HG22 1 1 3 484 1 1 3 THR HG23 H -0.611 4.354 -1.679 1.00 . A A . 3 THR HG23 1 1 3 485 1 1 3 THR N N 1.529 1.823 1.373 1.00 . A A . 3 THR N 1 1 3 486 1 1 3 THR O O -0.997 1.009 0.089 1.00 . A A . 3 THR O 1 1 3 487 1 1 3 THR OG1 O 2.023 4.002 -0.288 1.00 . A A . 3 THR OG1 1 1 3 488 1 1 4 TRP C C -4.131 2.436 0.771 1.00 . A A . 4 TRP C 1 1 3 489 1 1 4 TRP CA C -3.165 1.684 1.683 1.00 . A A . 4 TRP CA 1 1 3 490 1 1 4 TRP CB C -3.716 1.640 3.110 1.00 . A A . 4 TRP CB 1 1 3 491 1 1 4 TRP CD1 C -5.973 0.884 3.986 1.00 . A A . 4 TRP CD1 1 1 3 492 1 1 4 TRP CD2 C -4.844 -0.684 2.891 1.00 . A A . 4 TRP CD2 1 1 3 493 1 1 4 TRP CE2 C -6.064 -1.236 3.307 1.00 . A A . 4 TRP CE2 1 1 3 494 1 1 4 TRP CE3 C -3.951 -1.464 2.186 1.00 . A A . 4 TRP CE3 1 1 3 495 1 1 4 TRP CG C -4.816 0.664 3.321 1.00 . A A . 4 TRP CG 1 1 3 496 1 1 4 TRP CH2 C -5.509 -3.312 2.332 1.00 . A A . 4 TRP CH2 1 1 3 497 1 1 4 TRP CZ2 C -6.410 -2.555 3.033 1.00 . A A . 4 TRP CZ2 1 1 3 498 1 1 4 TRP CZ3 C -4.283 -2.777 1.909 1.00 . A A . 4 TRP CZ3 1 1 3 499 1 1 4 TRP H H -1.702 3.083 2.297 1.00 . A A . 4 TRP H 1 1 3 500 1 1 4 TRP HA H -3.041 0.679 1.315 1.00 . A A . 4 TRP HA 1 1 3 501 1 1 4 TRP HB2 H -2.933 1.391 3.796 1.00 . A A . 4 TRP HB2 1 1 3 502 1 1 4 TRP HB3 H -4.088 2.600 3.352 1.00 . A A . 4 TRP HB3 1 1 3 503 1 1 4 TRP HD1 H -6.227 1.824 4.440 1.00 . A A . 4 TRP HD1 1 1 3 504 1 1 4 TRP HE1 H -7.632 -0.346 4.386 1.00 . A A . 4 TRP HE1 1 1 3 505 1 1 4 TRP HE3 H -3.009 -1.051 1.864 1.00 . A A . 4 TRP HE3 1 1 3 506 1 1 4 TRP HH2 H -5.732 -4.342 2.097 1.00 . A A . 4 TRP HH2 1 1 3 507 1 1 4 TRP HZ2 H -7.352 -2.976 3.349 1.00 . A A . 4 TRP HZ2 1 1 3 508 1 1 4 TRP HZ3 H -3.597 -3.403 1.359 1.00 . A A . 4 TRP HZ3 1 1 3 509 1 1 4 TRP N N -1.860 2.333 1.685 1.00 . A A . 4 TRP N 1 1 3 510 1 1 4 TRP NE1 N -6.745 -0.254 3.979 1.00 . A A . 4 TRP NE1 1 1 3 511 1 1 4 TRP O O -4.375 3.627 0.962 1.00 . A A . 4 TRP O 1 1 3 512 1 1 5 GLU C C -6.756 1.427 -1.521 1.00 . A A . 5 GLU C 1 1 3 513 1 1 5 GLU CA C -5.600 2.360 -1.165 1.00 . A A . 5 GLU CA 1 1 3 514 1 1 5 GLU CB C -4.861 2.776 -2.437 1.00 . A A . 5 GLU CB 1 1 3 515 1 1 5 GLU CD C -4.293 5.218 -2.747 1.00 . A A . 5 GLU CD 1 1 3 516 1 1 5 GLU CG C -3.835 3.875 -2.213 1.00 . A A . 5 GLU CG 1 1 3 517 1 1 5 GLU H H -4.437 0.796 -0.335 1.00 . A A . 5 GLU H 1 1 3 518 1 1 5 GLU HA H -6.002 3.243 -0.693 1.00 . A A . 5 GLU HA 1 1 3 519 1 1 5 GLU HB2 H -4.350 1.914 -2.841 1.00 . A A . 5 GLU HB2 1 1 3 520 1 1 5 GLU HB3 H -5.582 3.128 -3.160 1.00 . A A . 5 GLU HB3 1 1 3 521 1 1 5 GLU HG2 H -3.654 3.970 -1.153 1.00 . A A . 5 GLU HG2 1 1 3 522 1 1 5 GLU HG3 H -2.917 3.600 -2.711 1.00 . A A . 5 GLU HG3 1 1 3 523 1 1 5 GLU N N -4.672 1.740 -0.225 1.00 . A A . 5 GLU N 1 1 3 524 1 1 5 GLU O O -6.562 0.397 -2.166 1.00 . A A . 5 GLU O 1 1 3 525 1 1 5 GLU OE1 O -4.578 6.117 -1.928 1.00 . A A . 5 GLU OE1 1 1 3 526 1 1 5 GLU OE2 O -4.366 5.371 -3.985 1.00 . A A . 5 GLU OE2 1 1 3 527 1 1 6 ASN C C -8.987 -0.451 -1.103 1.00 . A A . 6 ASN C 1 1 3 528 1 1 6 ASN CA C -9.167 1.039 -1.398 1.00 . A A . 6 ASN CA 1 1 3 529 1 1 6 ASN CB C -9.579 1.234 -2.858 1.00 . A A . 6 ASN CB 1 1 3 530 1 1 6 ASN CG C -11.062 1.508 -3.003 1.00 . A A . 6 ASN CG 1 1 3 531 1 1 6 ASN H H -8.045 2.655 -0.616 1.00 . A A . 6 ASN H 1 1 3 532 1 1 6 ASN HA H -9.955 1.420 -0.766 1.00 . A A . 6 ASN HA 1 1 3 533 1 1 6 ASN HB2 H -9.036 2.074 -3.271 1.00 . A A . 6 ASN HB2 1 1 3 534 1 1 6 ASN HB3 H -9.339 0.340 -3.419 1.00 . A A . 6 ASN HB3 1 1 3 535 1 1 6 ASN HD21 H -10.968 2.894 -1.580 1.00 . A A . 6 ASN HD21 1 1 3 536 1 1 6 ASN HD22 H -12.527 2.635 -2.274 1.00 . A A . 6 ASN HD22 1 1 3 537 1 1 6 ASN N N -7.960 1.813 -1.112 1.00 . A A . 6 ASN N 1 1 3 538 1 1 6 ASN ND2 N -11.571 2.440 -2.206 1.00 . A A . 6 ASN ND2 1 1 3 539 1 1 6 ASN O O -9.376 -1.300 -1.906 1.00 . A A . 6 ASN O 1 1 3 540 1 1 6 ASN OD1 O -11.744 0.889 -3.820 1.00 . A A . 6 ASN OD1 1 1 3 541 1 1 7 GLY C C -7.001 -2.789 -0.217 1.00 . A A . 7 GLY C 1 1 3 542 1 1 7 GLY CA C -8.225 -2.158 0.422 1.00 . A A . 7 GLY CA 1 1 3 543 1 1 7 GLY H H -8.134 -0.058 0.668 1.00 . A A . 7 GLY H 1 1 3 544 1 1 7 GLY HA2 H -8.129 -2.221 1.495 1.00 . A A . 7 GLY HA2 1 1 3 545 1 1 7 GLY HA3 H -9.101 -2.717 0.117 1.00 . A A . 7 GLY HA3 1 1 3 546 1 1 7 GLY N N -8.415 -0.768 0.054 1.00 . A A . 7 GLY N 1 1 3 547 1 1 7 GLY O O -6.898 -4.013 -0.285 1.00 . A A . 7 GLY O 1 1 3 548 1 1 8 LYS C C -3.611 -1.764 -0.812 1.00 . A A . 8 LYS C 1 1 3 549 1 1 8 LYS CA C -4.859 -2.480 -1.323 1.00 . A A . 8 LYS CA 1 1 3 550 1 1 8 LYS CB C -4.955 -2.333 -2.843 1.00 . A A . 8 LYS CB 1 1 3 551 1 1 8 LYS CD C -3.728 -4.416 -3.529 1.00 . A A . 8 LYS CD 1 1 3 552 1 1 8 LYS CE C -2.311 -4.942 -3.374 1.00 . A A . 8 LYS CE 1 1 3 553 1 1 8 LYS CG C -3.755 -2.897 -3.585 1.00 . A A . 8 LYS CG 1 1 3 554 1 1 8 LYS H H -6.198 -0.995 -0.613 1.00 . A A . 8 LYS H 1 1 3 555 1 1 8 LYS HA H -4.781 -3.528 -1.079 1.00 . A A . 8 LYS HA 1 1 3 556 1 1 8 LYS HB2 H -5.839 -2.849 -3.187 1.00 . A A . 8 LYS HB2 1 1 3 557 1 1 8 LYS HB3 H -5.043 -1.285 -3.087 1.00 . A A . 8 LYS HB3 1 1 3 558 1 1 8 LYS HD2 H -4.318 -4.746 -2.687 1.00 . A A . 8 LYS HD2 1 1 3 559 1 1 8 LYS HD3 H -4.151 -4.808 -4.443 1.00 . A A . 8 LYS HD3 1 1 3 560 1 1 8 LYS HE2 H -1.931 -5.210 -4.349 1.00 . A A . 8 LYS HE2 1 1 3 561 1 1 8 LYS HE3 H -1.695 -4.163 -2.950 1.00 . A A . 8 LYS HE3 1 1 3 562 1 1 8 LYS HG2 H -3.804 -2.586 -4.618 1.00 . A A . 8 LYS HG2 1 1 3 563 1 1 8 LYS HG3 H -2.852 -2.513 -3.134 1.00 . A A . 8 LYS HG3 1 1 3 564 1 1 8 LYS HZ1 H -2.400 -5.857 -1.498 1.00 . A A . 8 LYS HZ1 1 1 3 565 1 1 8 LYS HZ2 H -1.330 -6.604 -2.573 1.00 . A A . 8 LYS HZ2 1 1 3 566 1 1 8 LYS HZ3 H -2.998 -6.816 -2.757 1.00 . A A . 8 LYS HZ3 1 1 3 567 1 1 8 LYS N N -6.070 -1.964 -0.690 1.00 . A A . 8 LYS N 1 1 3 568 1 1 8 LYS NZ N -2.256 -6.139 -2.489 1.00 . A A . 8 LYS NZ 1 1 3 569 1 1 8 LYS O O -3.613 -0.551 -0.614 1.00 . A A . 8 LYS O 1 1 3 570 1 1 9 TRP C C -0.313 -1.736 -1.271 1.00 . A A . 9 TRP C 1 1 3 571 1 1 9 TRP CA C -1.282 -1.988 -0.121 1.00 . A A . 9 TRP CA 1 1 3 572 1 1 9 TRP CB C -0.659 -2.964 0.864 1.00 . A A . 9 TRP CB 1 1 3 573 1 1 9 TRP CD1 C -1.662 -3.656 3.059 1.00 . A A . 9 TRP CD1 1 1 3 574 1 1 9 TRP CD2 C -0.952 -1.555 3.021 1.00 . A A . 9 TRP CD2 1 1 3 575 1 1 9 TRP CE2 C -1.474 -1.813 4.298 1.00 . A A . 9 TRP CE2 1 1 3 576 1 1 9 TRP CE3 C -0.440 -0.297 2.738 1.00 . A A . 9 TRP CE3 1 1 3 577 1 1 9 TRP CG C -1.085 -2.747 2.262 1.00 . A A . 9 TRP CG 1 1 3 578 1 1 9 TRP CH2 C -0.979 0.387 4.990 1.00 . A A . 9 TRP CH2 1 1 3 579 1 1 9 TRP CZ2 C -1.493 -0.845 5.298 1.00 . A A . 9 TRP CZ2 1 1 3 580 1 1 9 TRP CZ3 C -0.457 0.662 3.722 1.00 . A A . 9 TRP CZ3 1 1 3 581 1 1 9 TRP H H -2.610 -3.495 -0.779 1.00 . A A . 9 TRP H 1 1 3 582 1 1 9 TRP HA H -1.482 -1.056 0.388 1.00 . A A . 9 TRP HA 1 1 3 583 1 1 9 TRP HB2 H -0.925 -3.960 0.588 1.00 . A A . 9 TRP HB2 1 1 3 584 1 1 9 TRP HB3 H 0.396 -2.881 0.838 1.00 . A A . 9 TRP HB3 1 1 3 585 1 1 9 TRP HD1 H -1.884 -4.649 2.738 1.00 . A A . 9 TRP HD1 1 1 3 586 1 1 9 TRP HE1 H -2.319 -3.582 5.058 1.00 . A A . 9 TRP HE1 1 1 3 587 1 1 9 TRP HE3 H -0.029 -0.070 1.767 1.00 . A A . 9 TRP HE3 1 1 3 588 1 1 9 TRP HH2 H -0.963 1.168 5.729 1.00 . A A . 9 TRP HH2 1 1 3 589 1 1 9 TRP HZ2 H -1.893 -1.044 6.282 1.00 . A A . 9 TRP HZ2 1 1 3 590 1 1 9 TRP HZ3 H -0.070 1.645 3.514 1.00 . A A . 9 TRP HZ3 1 1 3 591 1 1 9 TRP N N -2.545 -2.531 -0.606 1.00 . A A . 9 TRP N 1 1 3 592 1 1 9 TRP NE1 N -1.906 -3.115 4.301 1.00 . A A . 9 TRP NE1 1 1 3 593 1 1 9 TRP O O -0.256 -2.507 -2.229 1.00 . A A . 9 TRP O 1 1 3 594 1 1 10 THR C C 2.801 -0.077 -1.562 1.00 . A A . 10 THR C 1 1 3 595 1 1 10 THR CA C 1.430 -0.310 -2.187 1.00 . A A . 10 THR CA 1 1 3 596 1 1 10 THR CB C 0.981 0.933 -2.958 1.00 . A A . 10 THR CB 1 1 3 597 1 1 10 THR CG2 C 0.970 0.727 -4.456 1.00 . A A . 10 THR CG2 1 1 3 598 1 1 10 THR H H 0.368 -0.087 -0.372 1.00 . A A . 10 THR H 1 1 3 599 1 1 10 THR HA H 1.500 -1.142 -2.873 1.00 . A A . 10 THR HA 1 1 3 600 1 1 10 THR HB H 1.660 1.746 -2.742 1.00 . A A . 10 THR HB 1 1 3 601 1 1 10 THR HG1 H -0.584 2.106 -3.063 1.00 . A A . 10 THR HG1 1 1 3 602 1 1 10 THR HG21 H 1.175 -0.311 -4.676 1.00 . A A . 10 THR HG21 1 1 3 603 1 1 10 THR HG22 H 1.727 1.348 -4.911 1.00 . A A . 10 THR HG22 1 1 3 604 1 1 10 THR HG23 H 0.000 0.993 -4.849 1.00 . A A . 10 THR HG23 1 1 3 605 1 1 10 THR N N 0.454 -0.658 -1.163 1.00 . A A . 10 THR N 1 1 3 606 1 1 10 THR O O 2.950 0.748 -0.660 1.00 . A A . 10 THR O 1 1 3 607 1 1 10 THR OG1 O -0.323 1.326 -2.568 1.00 . A A . 10 THR OG1 1 1 3 608 1 1 11 TRP C C 5.956 0.334 -2.322 1.00 . A A . 11 TRP C 1 1 3 609 1 1 11 TRP CA C 5.153 -0.685 -1.521 1.00 . A A . 11 TRP CA 1 1 3 610 1 1 11 TRP CB C 5.858 -2.042 -1.546 1.00 . A A . 11 TRP CB 1 1 3 611 1 1 11 TRP CD1 C 8.395 -2.346 -1.750 1.00 . A A . 11 TRP CD1 1 1 3 612 1 1 11 TRP CD2 C 7.720 -1.539 0.226 1.00 . A A . 11 TRP CD2 1 1 3 613 1 1 11 TRP CE2 C 9.123 -1.658 0.245 1.00 . A A . 11 TRP CE2 1 1 3 614 1 1 11 TRP CE3 C 7.069 -1.051 1.361 1.00 . A A . 11 TRP CE3 1 1 3 615 1 1 11 TRP CG C 7.275 -1.986 -1.059 1.00 . A A . 11 TRP CG 1 1 3 616 1 1 11 TRP CH2 C 9.220 -0.830 2.455 1.00 . A A . 11 TRP CH2 1 1 3 617 1 1 11 TRP CZ2 C 9.884 -1.306 1.357 1.00 . A A . 11 TRP CZ2 1 1 3 618 1 1 11 TRP CZ3 C 7.825 -0.702 2.463 1.00 . A A . 11 TRP CZ3 1 1 3 619 1 1 11 TRP H H 3.617 -1.456 -2.756 1.00 . A A . 11 TRP H 1 1 3 620 1 1 11 TRP HA H 5.083 -0.347 -0.498 1.00 . A A . 11 TRP HA 1 1 3 621 1 1 11 TRP HB2 H 5.317 -2.731 -0.915 1.00 . A A . 11 TRP HB2 1 1 3 622 1 1 11 TRP HB3 H 5.867 -2.418 -2.559 1.00 . A A . 11 TRP HB3 1 1 3 623 1 1 11 TRP HD1 H 8.391 -2.726 -2.761 1.00 . A A . 11 TRP HD1 1 1 3 624 1 1 11 TRP HE1 H 10.434 -2.338 -1.245 1.00 . A A . 11 TRP HE1 1 1 3 625 1 1 11 TRP HE3 H 5.995 -0.945 1.387 1.00 . A A . 11 TRP HE3 1 1 3 626 1 1 11 TRP HH2 H 9.771 -0.545 3.339 1.00 . A A . 11 TRP HH2 1 1 3 627 1 1 11 TRP HZ2 H 10.960 -1.398 1.366 1.00 . A A . 11 TRP HZ2 1 1 3 628 1 1 11 TRP HZ3 H 7.339 -0.322 3.349 1.00 . A A . 11 TRP HZ3 1 1 3 629 1 1 11 TRP N N 3.798 -0.811 -2.041 1.00 . A A . 11 TRP N 1 1 3 630 1 1 11 TRP NE1 N 9.511 -2.153 -0.972 1.00 . A A . 11 TRP NE1 1 1 3 631 1 1 11 TRP O O 5.708 0.542 -3.510 1.00 . A A . 11 TRP O 1 1 3 632 1 1 12 LYS C C 8.775 2.545 -1.323 1.00 . A A . 12 LYS C 1 1 3 633 1 1 12 LYS CA C 7.770 1.960 -2.311 1.00 . A A . 12 LYS CA 1 1 3 634 1 1 12 LYS CB C 6.916 3.080 -2.910 1.00 . A A . 12 LYS CB 1 1 3 635 1 1 12 LYS CD C 4.706 4.261 -2.739 1.00 . A A . 12 LYS CD 1 1 3 636 1 1 12 LYS CE C 4.883 5.770 -2.780 1.00 . A A . 12 LYS CE 1 1 3 637 1 1 12 LYS CG C 5.833 3.588 -1.973 1.00 . A A . 12 LYS CG 1 1 3 638 1 1 12 LYS H H 7.075 0.751 -0.717 1.00 . A A . 12 LYS H 1 1 3 639 1 1 12 LYS HA H 8.311 1.467 -3.105 1.00 . A A . 12 LYS HA 1 1 3 640 1 1 12 LYS HB2 H 7.559 3.909 -3.166 1.00 . A A . 12 LYS HB2 1 1 3 641 1 1 12 LYS HB3 H 6.442 2.713 -3.809 1.00 . A A . 12 LYS HB3 1 1 3 642 1 1 12 LYS HD2 H 4.695 3.883 -3.751 1.00 . A A . 12 LYS HD2 1 1 3 643 1 1 12 LYS HD3 H 3.768 4.030 -2.256 1.00 . A A . 12 LYS HD3 1 1 3 644 1 1 12 LYS HE2 H 3.916 6.237 -2.667 1.00 . A A . 12 LYS HE2 1 1 3 645 1 1 12 LYS HE3 H 5.523 6.067 -1.962 1.00 . A A . 12 LYS HE3 1 1 3 646 1 1 12 LYS HG2 H 5.430 2.754 -1.418 1.00 . A A . 12 LYS HG2 1 1 3 647 1 1 12 LYS HG3 H 6.268 4.302 -1.289 1.00 . A A . 12 LYS HG3 1 1 3 648 1 1 12 LYS HZ1 H 5.638 7.253 -4.042 1.00 . A A . 12 LYS HZ1 1 1 3 649 1 1 12 LYS HZ2 H 4.868 5.987 -4.858 1.00 . A A . 12 LYS HZ2 1 1 3 650 1 1 12 LYS HZ3 H 6.411 5.756 -4.205 1.00 . A A . 12 LYS HZ3 1 1 3 651 1 1 12 LYS N N 6.924 0.964 -1.663 1.00 . A A . 12 LYS N 1 1 3 652 1 1 12 LYS NZ N 5.493 6.223 -4.061 1.00 . A A . 12 LYS NZ 1 1 3 653 1 1 12 LYS O O 9.986 2.427 -1.510 1.00 . A A . 12 LYS O 1 1 3 654 1 1 13 NH2 N N 8.283 3.078 -0.210 1.00 . A A . 13 NH2 N 1 1 4 655 1 1 1 SER C C 5.538 1.974 3.169 1.00 . A A . 1 SER C 1 1 4 656 1 1 1 SER CA C 6.502 2.625 4.155 1.00 . A A . 1 SER CA 1 1 4 657 1 1 1 SER CB C 5.816 3.787 4.875 1.00 . A A . 1 SER CB 1 1 4 658 1 1 1 SER H1 H 7.395 3.646 2.609 1.00 . A A . 1 SER H1 1 1 4 659 1 1 1 SER H2 H 8.310 2.329 3.220 1.00 . A A . 1 SER H2 1 1 4 660 1 1 1 SER H3 H 8.198 3.789 4.116 1.00 . A A . 1 SER H3 1 1 4 661 1 1 1 SER HA H 6.812 1.889 4.883 1.00 . A A . 1 SER HA 1 1 4 662 1 1 1 SER HB2 H 5.348 4.433 4.147 1.00 . A A . 1 SER HB2 1 1 4 663 1 1 1 SER HB3 H 5.064 3.399 5.547 1.00 . A A . 1 SER HB3 1 1 4 664 1 1 1 SER HG H 6.446 5.454 5.688 1.00 . A A . 1 SER HG 1 1 4 665 1 1 1 SER N N 7.710 3.144 3.462 1.00 . A A . 1 SER N 1 1 4 666 1 1 1 SER O O 5.871 1.772 2.001 1.00 . A A . 1 SER O 1 1 4 667 1 1 1 SER OG O 6.749 4.546 5.625 1.00 . A A . 1 SER OG 1 1 4 668 1 1 2 TRP C C 2.193 1.989 2.511 1.00 . A A . 2 TRP C 1 1 4 669 1 1 2 TRP CA C 3.329 1.017 2.809 1.00 . A A . 2 TRP CA 1 1 4 670 1 1 2 TRP CB C 2.795 -0.247 3.488 1.00 . A A . 2 TRP CB 1 1 4 671 1 1 2 TRP CD1 C 4.582 -2.065 3.747 1.00 . A A . 2 TRP CD1 1 1 4 672 1 1 2 TRP CD2 C 3.346 -2.246 1.890 1.00 . A A . 2 TRP CD2 1 1 4 673 1 1 2 TRP CE2 C 4.293 -3.287 1.900 1.00 . A A . 2 TRP CE2 1 1 4 674 1 1 2 TRP CE3 C 2.455 -2.159 0.818 1.00 . A A . 2 TRP CE3 1 1 4 675 1 1 2 TRP CG C 3.549 -1.474 3.078 1.00 . A A . 2 TRP CG 1 1 4 676 1 1 2 TRP CH2 C 3.489 -4.113 -0.162 1.00 . A A . 2 TRP CH2 1 1 4 677 1 1 2 TRP CZ2 C 4.374 -4.229 0.876 1.00 . A A . 2 TRP CZ2 1 1 4 678 1 1 2 TRP CZ3 C 2.535 -3.089 -0.193 1.00 . A A . 2 TRP CZ3 1 1 4 679 1 1 2 TRP H H 4.136 1.832 4.588 1.00 . A A . 2 TRP H 1 1 4 680 1 1 2 TRP HA H 3.800 0.740 1.877 1.00 . A A . 2 TRP HA 1 1 4 681 1 1 2 TRP HB2 H 2.876 -0.138 4.560 1.00 . A A . 2 TRP HB2 1 1 4 682 1 1 2 TRP HB3 H 1.760 -0.383 3.223 1.00 . A A . 2 TRP HB3 1 1 4 683 1 1 2 TRP HD1 H 4.977 -1.714 4.689 1.00 . A A . 2 TRP HD1 1 1 4 684 1 1 2 TRP HE1 H 5.772 -3.743 3.318 1.00 . A A . 2 TRP HE1 1 1 4 685 1 1 2 TRP HE3 H 1.696 -1.394 0.775 1.00 . A A . 2 TRP HE3 1 1 4 686 1 1 2 TRP HH2 H 3.516 -4.821 -0.978 1.00 . A A . 2 TRP HH2 1 1 4 687 1 1 2 TRP HZ2 H 5.104 -5.024 0.887 1.00 . A A . 2 TRP HZ2 1 1 4 688 1 1 2 TRP HZ3 H 1.856 -3.021 -1.028 1.00 . A A . 2 TRP HZ3 1 1 4 689 1 1 2 TRP N N 4.342 1.646 3.648 1.00 . A A . 2 TRP N 1 1 4 690 1 1 2 TRP NE1 N 5.036 -3.156 3.044 1.00 . A A . 2 TRP NE1 1 1 4 691 1 1 2 TRP O O 1.910 2.885 3.306 1.00 . A A . 2 TRP O 1 1 4 692 1 1 3 THR C C -0.865 1.928 0.871 1.00 . A A . 3 THR C 1 1 4 693 1 1 3 THR CA C 0.444 2.698 0.977 1.00 . A A . 3 THR CA 1 1 4 694 1 1 3 THR CB C 0.754 3.383 -0.356 1.00 . A A . 3 THR CB 1 1 4 695 1 1 3 THR CG2 C 0.068 4.722 -0.515 1.00 . A A . 3 THR CG2 1 1 4 696 1 1 3 THR H H 1.812 1.084 0.757 1.00 . A A . 3 THR H 1 1 4 697 1 1 3 THR HA H 0.343 3.453 1.742 1.00 . A A . 3 THR HA 1 1 4 698 1 1 3 THR HB H 0.424 2.744 -1.162 1.00 . A A . 3 THR HB 1 1 4 699 1 1 3 THR HG1 H 2.441 3.239 -1.341 1.00 . A A . 3 THR HG1 1 1 4 700 1 1 3 THR HG21 H 0.372 5.174 -1.447 1.00 . A A . 3 THR HG21 1 1 4 701 1 1 3 THR HG22 H 0.345 5.368 0.306 1.00 . A A . 3 THR HG22 1 1 4 702 1 1 3 THR HG23 H -1.002 4.581 -0.516 1.00 . A A . 3 THR HG23 1 1 4 703 1 1 3 THR N N 1.545 1.816 1.359 1.00 . A A . 3 THR N 1 1 4 704 1 1 3 THR O O -0.985 0.992 0.084 1.00 . A A . 3 THR O 1 1 4 705 1 1 3 THR OG1 O 2.148 3.594 -0.498 1.00 . A A . 3 THR OG1 1 1 4 706 1 1 4 TRP C C -4.118 2.432 0.758 1.00 . A A . 4 TRP C 1 1 4 707 1 1 4 TRP CA C -3.151 1.684 1.672 1.00 . A A . 4 TRP CA 1 1 4 708 1 1 4 TRP CB C -3.699 1.646 3.099 1.00 . A A . 4 TRP CB 1 1 4 709 1 1 4 TRP CD1 C -5.958 0.902 3.978 1.00 . A A . 4 TRP CD1 1 1 4 710 1 1 4 TRP CD2 C -4.833 -0.676 2.894 1.00 . A A . 4 TRP CD2 1 1 4 711 1 1 4 TRP CE2 C -6.055 -1.222 3.312 1.00 . A A . 4 TRP CE2 1 1 4 712 1 1 4 TRP CE3 C -3.940 -1.463 2.194 1.00 . A A . 4 TRP CE3 1 1 4 713 1 1 4 TRP CG C -4.801 0.675 3.316 1.00 . A A . 4 TRP CG 1 1 4 714 1 1 4 TRP CH2 C -5.503 -3.305 2.350 1.00 . A A . 4 TRP CH2 1 1 4 715 1 1 4 TRP CZ2 C -6.404 -2.542 3.046 1.00 . A A . 4 TRP CZ2 1 1 4 716 1 1 4 TRP CZ3 C -4.276 -2.776 1.926 1.00 . A A . 4 TRP CZ3 1 1 4 717 1 1 4 TRP H H -1.687 3.088 2.271 1.00 . A A . 4 TRP H 1 1 4 718 1 1 4 TRP HA H -3.028 0.677 1.308 1.00 . A A . 4 TRP HA 1 1 4 719 1 1 4 TRP HB2 H -2.916 1.397 3.785 1.00 . A A . 4 TRP HB2 1 1 4 720 1 1 4 TRP HB3 H -4.068 2.609 3.338 1.00 . A A . 4 TRP HB3 1 1 4 721 1 1 4 TRP HD1 H -6.210 1.845 4.426 1.00 . A A . 4 TRP HD1 1 1 4 722 1 1 4 TRP HE1 H -7.621 -0.321 4.384 1.00 . A A . 4 TRP HE1 1 1 4 723 1 1 4 TRP HE3 H -2.998 -1.054 1.871 1.00 . A A . 4 TRP HE3 1 1 4 724 1 1 4 TRP HH2 H -5.729 -4.337 2.122 1.00 . A A . 4 TRP HH2 1 1 4 725 1 1 4 TRP HZ2 H -7.347 -2.958 3.363 1.00 . A A . 4 TRP HZ2 1 1 4 726 1 1 4 TRP HZ3 H -3.591 -3.408 1.380 1.00 . A A . 4 TRP HZ3 1 1 4 727 1 1 4 TRP N N -1.845 2.333 1.668 1.00 . A A . 4 TRP N 1 1 4 728 1 1 4 TRP NE1 N -6.734 -0.234 3.977 1.00 . A A . 4 TRP NE1 1 1 4 729 1 1 4 TRP O O -4.361 3.624 0.943 1.00 . A A . 4 TRP O 1 1 4 730 1 1 5 GLU C C -6.748 1.414 -1.525 1.00 . A A . 5 GLU C 1 1 4 731 1 1 5 GLU CA C -5.591 2.348 -1.175 1.00 . A A . 5 GLU CA 1 1 4 732 1 1 5 GLU CB C -4.853 2.758 -2.450 1.00 . A A . 5 GLU CB 1 1 4 733 1 1 5 GLU CD C -4.526 4.609 -4.138 1.00 . A A . 5 GLU CD 1 1 4 734 1 1 5 GLU CG C -5.476 3.952 -3.156 1.00 . A A . 5 GLU CG 1 1 4 735 1 1 5 GLU H H -4.427 0.787 -0.340 1.00 . A A . 5 GLU H 1 1 4 736 1 1 5 GLU HA H -5.992 3.234 -0.706 1.00 . A A . 5 GLU HA 1 1 4 737 1 1 5 GLU HB2 H -3.833 3.009 -2.198 1.00 . A A . 5 GLU HB2 1 1 4 738 1 1 5 GLU HB3 H -4.851 1.923 -3.135 1.00 . A A . 5 GLU HB3 1 1 4 739 1 1 5 GLU HG2 H -6.352 3.620 -3.693 1.00 . A A . 5 GLU HG2 1 1 4 740 1 1 5 GLU HG3 H -5.766 4.681 -2.414 1.00 . A A . 5 GLU HG3 1 1 4 741 1 1 5 GLU N N -4.662 1.732 -0.234 1.00 . A A . 5 GLU N 1 1 4 742 1 1 5 GLU O O -6.555 0.378 -2.160 1.00 . A A . 5 GLU O 1 1 4 743 1 1 5 GLU OE1 O -3.322 4.712 -3.821 1.00 . A A . 5 GLU OE1 1 1 4 744 1 1 5 GLU OE2 O -4.986 5.020 -5.224 1.00 . A A . 5 GLU OE2 1 1 4 745 1 1 6 ASN C C -8.984 -0.455 -1.096 1.00 . A A . 6 ASN C 1 1 4 746 1 1 6 ASN CA C -9.160 1.033 -1.405 1.00 . A A . 6 ASN CA 1 1 4 747 1 1 6 ASN CB C -9.568 1.220 -2.868 1.00 . A A . 6 ASN CB 1 1 4 748 1 1 6 ASN CG C -10.630 2.288 -3.032 1.00 . A A . 6 ASN CG 1 1 4 749 1 1 6 ASN H H -8.036 2.653 -0.635 1.00 . A A . 6 ASN H 1 1 4 750 1 1 6 ASN HA H -9.949 1.422 -0.778 1.00 . A A . 6 ASN HA 1 1 4 751 1 1 6 ASN HB2 H -8.700 1.510 -3.445 1.00 . A A . 6 ASN HB2 1 1 4 752 1 1 6 ASN HB3 H -9.960 0.287 -3.252 1.00 . A A . 6 ASN HB3 1 1 4 753 1 1 6 ASN HD21 H -11.722 1.451 -1.597 1.00 . A A . 6 ASN HD21 1 1 4 754 1 1 6 ASN HD22 H -12.387 2.874 -2.313 1.00 . A A . 6 ASN HD22 1 1 4 755 1 1 6 ASN N N -7.953 1.807 -1.123 1.00 . A A . 6 ASN N 1 1 4 756 1 1 6 ASN ND2 N -11.687 2.195 -2.234 1.00 . A A . 6 ASN ND2 1 1 4 757 1 1 6 ASN O O -9.371 -1.312 -1.891 1.00 . A A . 6 ASN O 1 1 4 758 1 1 6 ASN OD1 O -10.502 3.186 -3.864 1.00 . A A . 6 ASN OD1 1 1 4 759 1 1 7 GLY C C -7.010 -2.789 -0.190 1.00 . A A . 7 GLY C 1 1 4 760 1 1 7 GLY CA C -8.230 -2.148 0.448 1.00 . A A . 7 GLY CA 1 1 4 761 1 1 7 GLY H H -8.136 -0.046 0.674 1.00 . A A . 7 GLY H 1 1 4 762 1 1 7 GLY HA2 H -8.129 -2.201 1.521 1.00 . A A . 7 GLY HA2 1 1 4 763 1 1 7 GLY HA3 H -9.109 -2.708 0.153 1.00 . A A . 7 GLY HA3 1 1 4 764 1 1 7 GLY N N -8.417 -0.762 0.066 1.00 . A A . 7 GLY N 1 1 4 765 1 1 7 GLY O O -6.912 -4.015 -0.247 1.00 . A A . 7 GLY O 1 1 4 766 1 1 8 LYS C C -3.620 -1.782 -0.808 1.00 . A A . 8 LYS C 1 1 4 767 1 1 8 LYS CA C -4.872 -2.498 -1.307 1.00 . A A . 8 LYS CA 1 1 4 768 1 1 8 LYS CB C -4.973 -2.366 -2.828 1.00 . A A . 8 LYS CB 1 1 4 769 1 1 8 LYS CD C -4.066 -4.324 -4.118 1.00 . A A . 8 LYS CD 1 1 4 770 1 1 8 LYS CE C -3.888 -5.395 -3.052 1.00 . A A . 8 LYS CE 1 1 4 771 1 1 8 LYS CG C -3.775 -2.937 -3.569 1.00 . A A . 8 LYS CG 1 1 4 772 1 1 8 LYS H H -6.203 -1.003 -0.605 1.00 . A A . 8 LYS H 1 1 4 773 1 1 8 LYS HA H -4.796 -3.544 -1.053 1.00 . A A . 8 LYS HA 1 1 4 774 1 1 8 LYS HB2 H -5.859 -2.885 -3.164 1.00 . A A . 8 LYS HB2 1 1 4 775 1 1 8 LYS HB3 H -5.061 -1.320 -3.082 1.00 . A A . 8 LYS HB3 1 1 4 776 1 1 8 LYS HD2 H -5.085 -4.353 -4.475 1.00 . A A . 8 LYS HD2 1 1 4 777 1 1 8 LYS HD3 H -3.390 -4.527 -4.935 1.00 . A A . 8 LYS HD3 1 1 4 778 1 1 8 LYS HE2 H -4.502 -5.142 -2.200 1.00 . A A . 8 LYS HE2 1 1 4 779 1 1 8 LYS HE3 H -4.210 -6.343 -3.456 1.00 . A A . 8 LYS HE3 1 1 4 780 1 1 8 LYS HG2 H -3.526 -2.281 -4.390 1.00 . A A . 8 LYS HG2 1 1 4 781 1 1 8 LYS HG3 H -2.938 -2.997 -2.888 1.00 . A A . 8 LYS HG3 1 1 4 782 1 1 8 LYS HZ1 H -2.421 -5.524 -1.570 1.00 . A A . 8 LYS HZ1 1 1 4 783 1 1 8 LYS HZ2 H -1.917 -4.705 -2.961 1.00 . A A . 8 LYS HZ2 1 1 4 784 1 1 8 LYS HZ3 H -2.053 -6.391 -2.976 1.00 . A A . 8 LYS HZ3 1 1 4 785 1 1 8 LYS N N -6.078 -1.972 -0.674 1.00 . A A . 8 LYS N 1 1 4 786 1 1 8 LYS NZ N -2.471 -5.511 -2.609 1.00 . A A . 8 LYS NZ 1 1 4 787 1 1 8 LYS O O -3.617 -0.567 -0.619 1.00 . A A . 8 LYS O 1 1 4 788 1 1 9 TRP C C -0.327 -1.759 -1.279 1.00 . A A . 9 TRP C 1 1 4 789 1 1 9 TRP CA C -1.289 -2.007 -0.123 1.00 . A A . 9 TRP CA 1 1 4 790 1 1 9 TRP CB C -0.661 -2.980 0.862 1.00 . A A . 9 TRP CB 1 1 4 791 1 1 9 TRP CD1 C -1.653 -3.663 3.065 1.00 . A A . 9 TRP CD1 1 1 4 792 1 1 9 TRP CD2 C -0.941 -1.563 3.016 1.00 . A A . 9 TRP CD2 1 1 4 793 1 1 9 TRP CE2 C -1.457 -1.817 4.297 1.00 . A A . 9 TRP CE2 1 1 4 794 1 1 9 TRP CE3 C -0.429 -0.307 2.727 1.00 . A A . 9 TRP CE3 1 1 4 795 1 1 9 TRP CG C -1.079 -2.757 2.261 1.00 . A A . 9 TRP CG 1 1 4 796 1 1 9 TRP CH2 C -0.957 0.385 4.979 1.00 . A A . 9 TRP CH2 1 1 4 797 1 1 9 TRP CZ2 C -1.470 -0.846 5.294 1.00 . A A . 9 TRP CZ2 1 1 4 798 1 1 9 TRP CZ3 C -0.441 0.656 3.708 1.00 . A A . 9 TRP CZ3 1 1 4 799 1 1 9 TRP H H -2.624 -3.515 -0.764 1.00 . A A . 9 TRP H 1 1 4 800 1 1 9 TRP HA H -1.486 -1.072 0.383 1.00 . A A . 9 TRP HA 1 1 4 801 1 1 9 TRP HB2 H -0.927 -3.976 0.591 1.00 . A A . 9 TRP HB2 1 1 4 802 1 1 9 TRP HB3 H 0.394 -2.896 0.830 1.00 . A A . 9 TRP HB3 1 1 4 803 1 1 9 TRP HD1 H -1.877 -4.657 2.747 1.00 . A A . 9 TRP HD1 1 1 4 804 1 1 9 TRP HE1 H -2.299 -3.582 5.066 1.00 . A A . 9 TRP HE1 1 1 4 805 1 1 9 TRP HE3 H -0.023 -0.084 1.754 1.00 . A A . 9 TRP HE3 1 1 4 806 1 1 9 TRP HH2 H -0.937 1.168 5.716 1.00 . A A . 9 TRP HH2 1 1 4 807 1 1 9 TRP HZ2 H -1.865 -1.041 6.280 1.00 . A A . 9 TRP HZ2 1 1 4 808 1 1 9 TRP HZ3 H -0.054 1.638 3.495 1.00 . A A . 9 TRP HZ3 1 1 4 809 1 1 9 TRP N N -2.556 -2.550 -0.599 1.00 . A A . 9 TRP N 1 1 4 810 1 1 9 TRP NE1 N -1.890 -3.119 4.306 1.00 . A A . 9 TRP NE1 1 1 4 811 1 1 9 TRP O O -0.260 -2.544 -2.225 1.00 . A A . 9 TRP O 1 1 4 812 1 1 10 THR C C 2.760 -0.060 -1.594 1.00 . A A . 10 THR C 1 1 4 813 1 1 10 THR CA C 1.395 -0.321 -2.218 1.00 . A A . 10 THR CA 1 1 4 814 1 1 10 THR CB C 0.929 0.906 -3.005 1.00 . A A . 10 THR CB 1 1 4 815 1 1 10 THR CG2 C 0.987 0.704 -4.503 1.00 . A A . 10 THR CG2 1 1 4 816 1 1 10 THR H H 0.331 -0.087 -0.406 1.00 . A A . 10 THR H 1 1 4 817 1 1 10 THR HA H 1.477 -1.161 -2.892 1.00 . A A . 10 THR HA 1 1 4 818 1 1 10 THR HB H 1.566 1.744 -2.759 1.00 . A A . 10 THR HB 1 1 4 819 1 1 10 THR HG1 H -1.000 0.565 -2.992 1.00 . A A . 10 THR HG1 1 1 4 820 1 1 10 THR HG21 H 1.739 1.354 -4.925 1.00 . A A . 10 THR HG21 1 1 4 821 1 1 10 THR HG22 H 0.025 0.938 -4.935 1.00 . A A . 10 THR HG22 1 1 4 822 1 1 10 THR HG23 H 1.238 -0.325 -4.717 1.00 . A A . 10 THR HG23 1 1 4 823 1 1 10 THR N N 0.425 -0.669 -1.189 1.00 . A A . 10 THR N 1 1 4 824 1 1 10 THR O O 2.896 0.780 -0.704 1.00 . A A . 10 THR O 1 1 4 825 1 1 10 THR OG1 O -0.404 1.245 -2.668 1.00 . A A . 10 THR OG1 1 1 4 826 1 1 11 TRP C C 5.899 0.409 -2.329 1.00 . A A . 11 TRP C 1 1 4 827 1 1 11 TRP CA C 5.119 -0.635 -1.537 1.00 . A A . 11 TRP CA 1 1 4 828 1 1 11 TRP CB C 5.856 -1.974 -1.569 1.00 . A A . 11 TRP CB 1 1 4 829 1 1 11 TRP CD1 C 8.398 -2.189 -1.818 1.00 . A A . 11 TRP CD1 1 1 4 830 1 1 11 TRP CD2 C 7.729 -1.439 0.181 1.00 . A A . 11 TRP CD2 1 1 4 831 1 1 11 TRP CE2 C 9.134 -1.511 0.177 1.00 . A A . 11 TRP CE2 1 1 4 832 1 1 11 TRP CE3 C 7.080 -0.991 1.334 1.00 . A A . 11 TRP CE3 1 1 4 833 1 1 11 TRP CG C 7.277 -1.880 -1.103 1.00 . A A . 11 TRP CG 1 1 4 834 1 1 11 TRP CH2 C 9.239 -0.716 2.398 1.00 . A A . 11 TRP CH2 1 1 4 835 1 1 11 TRP CZ2 C 9.901 -1.151 1.283 1.00 . A A . 11 TRP CZ2 1 1 4 836 1 1 11 TRP CZ3 C 7.841 -0.634 2.430 1.00 . A A . 11 TRP CZ3 1 1 4 837 1 1 11 TRP H H 3.598 -1.445 -2.765 1.00 . A A . 11 TRP H 1 1 4 838 1 1 11 TRP HA H 5.039 -0.305 -0.512 1.00 . A A . 11 TRP HA 1 1 4 839 1 1 11 TRP HB2 H 5.341 -2.674 -0.929 1.00 . A A . 11 TRP HB2 1 1 4 840 1 1 11 TRP HB3 H 5.859 -2.352 -2.581 1.00 . A A . 11 TRP HB3 1 1 4 841 1 1 11 TRP HD1 H 8.390 -2.553 -2.835 1.00 . A A . 11 TRP HD1 1 1 4 842 1 1 11 TRP HE1 H 10.443 -2.123 -1.344 1.00 . A A . 11 TRP HE1 1 1 4 843 1 1 11 TRP HE3 H 6.003 -0.922 1.378 1.00 . A A . 11 TRP HE3 1 1 4 844 1 1 11 TRP HH2 H 9.793 -0.427 3.279 1.00 . A A . 11 TRP HH2 1 1 4 845 1 1 11 TRP HZ2 H 10.979 -1.208 1.274 1.00 . A A . 11 TRP HZ2 1 1 4 846 1 1 11 TRP HZ3 H 7.356 -0.285 3.329 1.00 . A A . 11 TRP HZ3 1 1 4 847 1 1 11 TRP N N 3.768 -0.787 -2.059 1.00 . A A . 11 TRP N 1 1 4 848 1 1 11 TRP NE1 N 9.519 -1.973 -1.054 1.00 . A A . 11 TRP NE1 1 1 4 849 1 1 11 TRP O O 5.634 0.635 -3.509 1.00 . A A . 11 TRP O 1 1 4 850 1 1 12 LYS C C 8.849 2.465 -1.405 1.00 . A A . 12 LYS C 1 1 4 851 1 1 12 LYS CA C 7.690 2.057 -2.309 1.00 . A A . 12 LYS CA 1 1 4 852 1 1 12 LYS CB C 6.843 3.283 -2.659 1.00 . A A . 12 LYS CB 1 1 4 853 1 1 12 LYS CD C 4.793 3.358 -4.116 1.00 . A A . 12 LYS CD 1 1 4 854 1 1 12 LYS CE C 4.312 4.270 -5.233 1.00 . A A . 12 LYS CE 1 1 4 855 1 1 12 LYS CG C 6.311 3.268 -4.084 1.00 . A A . 12 LYS CG 1 1 4 856 1 1 12 LYS H H 7.030 0.812 -0.728 1.00 . A A . 12 LYS H 1 1 4 857 1 1 12 LYS HA H 8.089 1.634 -3.218 1.00 . A A . 12 LYS HA 1 1 4 858 1 1 12 LYS HB2 H 6.003 3.331 -1.982 1.00 . A A . 12 LYS HB2 1 1 4 859 1 1 12 LYS HB3 H 7.446 4.170 -2.533 1.00 . A A . 12 LYS HB3 1 1 4 860 1 1 12 LYS HD2 H 4.386 2.370 -4.273 1.00 . A A . 12 LYS HD2 1 1 4 861 1 1 12 LYS HD3 H 4.445 3.747 -3.170 1.00 . A A . 12 LYS HD3 1 1 4 862 1 1 12 LYS HE2 H 3.480 4.855 -4.870 1.00 . A A . 12 LYS HE2 1 1 4 863 1 1 12 LYS HE3 H 5.119 4.931 -5.514 1.00 . A A . 12 LYS HE3 1 1 4 864 1 1 12 LYS HG2 H 6.722 4.110 -4.620 1.00 . A A . 12 LYS HG2 1 1 4 865 1 1 12 LYS HG3 H 6.618 2.349 -4.562 1.00 . A A . 12 LYS HG3 1 1 4 866 1 1 12 LYS HZ1 H 3.111 2.844 -6.175 1.00 . A A . 12 LYS HZ1 1 1 4 867 1 1 12 LYS HZ2 H 4.673 2.954 -6.814 1.00 . A A . 12 LYS HZ2 1 1 4 868 1 1 12 LYS HZ3 H 3.530 4.149 -7.166 1.00 . A A . 12 LYS HZ3 1 1 4 869 1 1 12 LYS N N 6.866 1.039 -1.669 1.00 . A A . 12 LYS N 1 1 4 870 1 1 12 LYS NZ N 3.876 3.500 -6.431 1.00 . A A . 12 LYS NZ 1 1 4 871 1 1 12 LYS O O 10.008 2.447 -1.820 1.00 . A A . 12 LYS O 1 1 4 872 1 1 13 NH2 N N 8.537 2.947 -0.208 1.00 . A A . 13 NH2 N 1 1 5 873 1 1 1 SER C C 5.461 2.130 3.592 1.00 . A A . 1 SER C 1 1 5 874 1 1 1 SER CA C 6.340 2.744 4.677 1.00 . A A . 1 SER CA 1 1 5 875 1 1 1 SER CB C 5.607 3.900 5.360 1.00 . A A . 1 SER CB 1 1 5 876 1 1 1 SER H1 H 8.097 3.799 4.854 1.00 . A A . 1 SER H1 1 1 5 877 1 1 1 SER H2 H 7.374 3.868 3.299 1.00 . A A . 1 SER H2 1 1 5 878 1 1 1 SER H3 H 8.181 2.442 3.810 1.00 . A A . 1 SER H3 1 1 5 879 1 1 1 SER HA H 6.573 1.987 5.411 1.00 . A A . 1 SER HA 1 1 5 880 1 1 1 SER HB2 H 5.029 4.441 4.625 1.00 . A A . 1 SER HB2 1 1 5 881 1 1 1 SER HB3 H 4.948 3.507 6.119 1.00 . A A . 1 SER HB3 1 1 5 882 1 1 1 SER HG H 6.234 4.989 6.863 1.00 . A A . 1 SER HG 1 1 5 883 1 1 1 SER N N 7.613 3.260 4.109 1.00 . A A . 1 SER N 1 1 5 884 1 1 1 SER O O 5.844 2.080 2.424 1.00 . A A . 1 SER O 1 1 5 885 1 1 1 SER OG O 6.522 4.796 5.968 1.00 . A A . 1 SER OG 1 1 5 886 1 1 2 TRP C C 2.222 2.020 2.700 1.00 . A A . 2 TRP C 1 1 5 887 1 1 2 TRP CA C 3.346 1.055 3.049 1.00 . A A . 2 TRP CA 1 1 5 888 1 1 2 TRP CB C 2.782 -0.242 3.632 1.00 . A A . 2 TRP CB 1 1 5 889 1 1 2 TRP CD1 C 4.668 -1.960 3.864 1.00 . A A . 2 TRP CD1 1 1 5 890 1 1 2 TRP CD2 C 3.388 -2.234 2.049 1.00 . A A . 2 TRP CD2 1 1 5 891 1 1 2 TRP CE2 C 4.389 -3.223 2.044 1.00 . A A . 2 TRP CE2 1 1 5 892 1 1 2 TRP CE3 C 2.461 -2.210 1.004 1.00 . A A . 2 TRP CE3 1 1 5 893 1 1 2 TRP CG C 3.585 -1.436 3.220 1.00 . A A . 2 TRP CG 1 1 5 894 1 1 2 TRP CH2 C 3.569 -4.119 0.019 1.00 . A A . 2 TRP CH2 1 1 5 895 1 1 2 TRP CZ2 C 4.489 -4.174 1.031 1.00 . A A . 2 TRP CZ2 1 1 5 896 1 1 2 TRP CZ3 C 2.561 -3.147 0.006 1.00 . A A . 2 TRP CZ3 1 1 5 897 1 1 2 TRP H H 4.031 1.734 4.933 1.00 . A A . 2 TRP H 1 1 5 898 1 1 2 TRP HA H 3.893 0.823 2.147 1.00 . A A . 2 TRP HA 1 1 5 899 1 1 2 TRP HB2 H 2.786 -0.182 4.711 1.00 . A A . 2 TRP HB2 1 1 5 900 1 1 2 TRP HB3 H 1.771 -0.379 3.286 1.00 . A A . 2 TRP HB3 1 1 5 901 1 1 2 TRP HD1 H 5.071 -1.574 4.789 1.00 . A A . 2 TRP HD1 1 1 5 902 1 1 2 TRP HE1 H 5.933 -3.576 3.421 1.00 . A A . 2 TRP HE1 1 1 5 903 1 1 2 TRP HE3 H 1.662 -1.487 0.974 1.00 . A A . 2 TRP HE3 1 1 5 904 1 1 2 TRP HH2 H 3.608 -4.836 -0.789 1.00 . A A . 2 TRP HH2 1 1 5 905 1 1 2 TRP HZ2 H 5.261 -4.929 1.029 1.00 . A A . 2 TRP HZ2 1 1 5 906 1 1 2 TRP HZ3 H 1.855 -3.125 -0.808 1.00 . A A . 2 TRP HZ3 1 1 5 907 1 1 2 TRP N N 4.280 1.665 3.988 1.00 . A A . 2 TRP N 1 1 5 908 1 1 2 TRP NE1 N 5.159 -3.034 3.163 1.00 . A A . 2 TRP NE1 1 1 5 909 1 1 2 TRP O O 1.955 2.963 3.445 1.00 . A A . 2 TRP O 1 1 5 910 1 1 3 THR C C -0.827 1.897 0.985 1.00 . A A . 3 THR C 1 1 5 911 1 1 3 THR CA C 0.473 2.672 1.148 1.00 . A A . 3 THR CA 1 1 5 912 1 1 3 THR CB C 0.828 3.388 -0.158 1.00 . A A . 3 THR CB 1 1 5 913 1 1 3 THR CG2 C 0.573 4.879 -0.109 1.00 . A A . 3 THR CG2 1 1 5 914 1 1 3 THR H H 1.814 1.021 0.998 1.00 . A A . 3 THR H 1 1 5 915 1 1 3 THR HA H 0.337 3.412 1.923 1.00 . A A . 3 THR HA 1 1 5 916 1 1 3 THR HB H 0.229 2.978 -0.957 1.00 . A A . 3 THR HB 1 1 5 917 1 1 3 THR HG1 H 2.743 3.657 0.158 1.00 . A A . 3 THR HG1 1 1 5 918 1 1 3 THR HG21 H 0.431 5.253 -1.112 1.00 . A A . 3 THR HG21 1 1 5 919 1 1 3 THR HG22 H 1.420 5.375 0.343 1.00 . A A . 3 THR HG22 1 1 5 920 1 1 3 THR HG23 H -0.312 5.074 0.477 1.00 . A A . 3 THR HG23 1 1 5 921 1 1 3 THR N N 1.563 1.792 1.564 1.00 . A A . 3 THR N 1 1 5 922 1 1 3 THR O O -0.915 0.963 0.190 1.00 . A A . 3 THR O 1 1 5 923 1 1 3 THR OG1 O 2.194 3.199 -0.483 1.00 . A A . 3 THR OG1 1 1 5 924 1 1 4 TRP C C -4.077 2.411 0.775 1.00 . A A . 4 TRP C 1 1 5 925 1 1 4 TRP CA C -3.141 1.656 1.714 1.00 . A A . 4 TRP CA 1 1 5 926 1 1 4 TRP CB C -3.727 1.623 3.126 1.00 . A A . 4 TRP CB 1 1 5 927 1 1 4 TRP CD1 C -6.021 0.920 3.946 1.00 . A A . 4 TRP CD1 1 1 5 928 1 1 4 TRP CD2 C -4.896 -0.676 2.889 1.00 . A A . 4 TRP CD2 1 1 5 929 1 1 4 TRP CE2 C -6.136 -1.202 3.276 1.00 . A A . 4 TRP CE2 1 1 5 930 1 1 4 TRP CE3 C -3.999 -1.476 2.212 1.00 . A A . 4 TRP CE3 1 1 5 931 1 1 4 TRP CG C -4.852 0.673 3.313 1.00 . A A . 4 TRP CG 1 1 5 932 1 1 4 TRP CH2 C -5.595 -3.293 2.326 1.00 . A A . 4 TRP CH2 1 1 5 933 1 1 4 TRP CZ2 C -6.500 -2.516 3.000 1.00 . A A . 4 TRP CZ2 1 1 5 934 1 1 4 TRP CZ3 C -4.349 -2.784 1.933 1.00 . A A . 4 TRP CZ3 1 1 5 935 1 1 4 TRP H H -1.693 3.051 2.362 1.00 . A A . 4 TRP H 1 1 5 936 1 1 4 TRP HA H -3.013 0.648 1.354 1.00 . A A . 4 TRP HA 1 1 5 937 1 1 4 TRP HB2 H -2.966 1.357 3.830 1.00 . A A . 4 TRP HB2 1 1 5 938 1 1 4 TRP HB3 H -4.082 2.592 3.360 1.00 . A A . 4 TRP HB3 1 1 5 939 1 1 4 TRP HD1 H -6.267 1.867 4.388 1.00 . A A . 4 TRP HD1 1 1 5 940 1 1 4 TRP HE1 H -7.714 -0.275 4.309 1.00 . A A . 4 TRP HE1 1 1 5 941 1 1 4 TRP HE3 H -3.042 -1.082 1.912 1.00 . A A . 4 TRP HE3 1 1 5 942 1 1 4 TRP HH2 H -5.832 -4.321 2.091 1.00 . A A . 4 TRP HH2 1 1 5 943 1 1 4 TRP HZ2 H -7.458 -2.916 3.293 1.00 . A A . 4 TRP HZ2 1 1 5 944 1 1 4 TRP HZ3 H -3.661 -3.426 1.405 1.00 . A A . 4 TRP HZ3 1 1 5 945 1 1 4 TRP N N -1.834 2.299 1.750 1.00 . A A . 4 TRP N 1 1 5 946 1 1 4 TRP NE1 N -6.815 -0.203 3.925 1.00 . A A . 4 TRP NE1 1 1 5 947 1 1 4 TRP O O -4.318 3.605 0.957 1.00 . A A . 4 TRP O 1 1 5 948 1 1 5 GLU C C -6.650 1.425 -1.584 1.00 . A A . 5 GLU C 1 1 5 949 1 1 5 GLU CA C -5.495 2.346 -1.199 1.00 . A A . 5 GLU CA 1 1 5 950 1 1 5 GLU CB C -4.719 2.754 -2.452 1.00 . A A . 5 GLU CB 1 1 5 951 1 1 5 GLU CD C -4.806 5.278 -2.483 1.00 . A A . 5 GLU CD 1 1 5 952 1 1 5 GLU CG C -5.276 3.993 -3.135 1.00 . A A . 5 GLU CG 1 1 5 953 1 1 5 GLU H H -4.366 0.772 -0.338 1.00 . A A . 5 GLU H 1 1 5 954 1 1 5 GLU HA H -5.901 3.234 -0.738 1.00 . A A . 5 GLU HA 1 1 5 955 1 1 5 GLU HB2 H -3.693 2.950 -2.179 1.00 . A A . 5 GLU HB2 1 1 5 956 1 1 5 GLU HB3 H -4.745 1.938 -3.159 1.00 . A A . 5 GLU HB3 1 1 5 957 1 1 5 GLU HG2 H -4.957 3.993 -4.167 1.00 . A A . 5 GLU HG2 1 1 5 958 1 1 5 GLU HG3 H -6.355 3.957 -3.093 1.00 . A A . 5 GLU HG3 1 1 5 959 1 1 5 GLU N N -4.597 1.719 -0.235 1.00 . A A . 5 GLU N 1 1 5 960 1 1 5 GLU O O -6.448 0.381 -2.204 1.00 . A A . 5 GLU O 1 1 5 961 1 1 5 GLU OE1 O -5.518 5.787 -1.593 1.00 . A A . 5 GLU OE1 1 1 5 962 1 1 5 GLU OE2 O -3.725 5.776 -2.863 1.00 . A A . 5 GLU OE2 1 1 5 963 1 1 6 ASN C C -8.922 -0.412 -1.220 1.00 . A A . 6 ASN C 1 1 5 964 1 1 6 ASN CA C -9.070 1.074 -1.547 1.00 . A A . 6 ASN CA 1 1 5 965 1 1 6 ASN CB C -9.423 1.250 -3.025 1.00 . A A . 6 ASN CB 1 1 5 966 1 1 6 ASN CG C -10.896 1.540 -3.230 1.00 . A A . 6 ASN CG 1 1 5 967 1 1 6 ASN H H -7.954 2.686 -0.749 1.00 . A A . 6 ASN H 1 1 5 968 1 1 6 ASN HA H -9.876 1.477 -0.951 1.00 . A A . 6 ASN HA 1 1 5 969 1 1 6 ASN HB2 H -8.853 2.076 -3.430 1.00 . A A . 6 ASN HB2 1 1 5 970 1 1 6 ASN HB3 H -9.174 0.344 -3.561 1.00 . A A . 6 ASN HB3 1 1 5 971 1 1 6 ASN HD21 H -10.838 2.948 -1.828 1.00 . A A . 6 ASN HD21 1 1 5 972 1 1 6 ASN HD22 H -12.373 2.698 -2.576 1.00 . A A . 6 ASN HD22 1 1 5 973 1 1 6 ASN N N -7.864 1.836 -1.228 1.00 . A A . 6 ASN N 1 1 5 974 1 1 6 ASN ND2 N -11.422 2.492 -2.469 1.00 . A A . 6 ASN ND2 1 1 5 975 1 1 6 ASN O O -9.290 -1.270 -2.024 1.00 . A A . 6 ASN O 1 1 5 976 1 1 6 ASN OD1 O -11.554 0.916 -4.063 1.00 . A A . 6 ASN OD1 1 1 5 977 1 1 7 GLY C C -7.018 -2.762 -0.251 1.00 . A A . 7 GLY C 1 1 5 978 1 1 7 GLY CA C -8.240 -2.101 0.361 1.00 . A A . 7 GLY CA 1 1 5 979 1 1 7 GLY H H -8.132 0.001 0.575 1.00 . A A . 7 GLY H 1 1 5 980 1 1 7 GLY HA2 H -8.159 -2.145 1.436 1.00 . A A . 7 GLY HA2 1 1 5 981 1 1 7 GLY HA3 H -9.120 -2.651 0.054 1.00 . A A . 7 GLY HA3 1 1 5 982 1 1 7 GLY N N -8.399 -0.716 -0.037 1.00 . A A . 7 GLY N 1 1 5 983 1 1 7 GLY O O -6.943 -3.989 -0.316 1.00 . A A . 7 GLY O 1 1 5 984 1 1 8 LYS C C -3.591 -1.818 -0.779 1.00 . A A . 8 LYS C 1 1 5 985 1 1 8 LYS CA C -4.847 -2.503 -1.312 1.00 . A A . 8 LYS CA 1 1 5 986 1 1 8 LYS CB C -4.910 -2.344 -2.835 1.00 . A A . 8 LYS CB 1 1 5 987 1 1 8 LYS CD C -2.906 -3.762 -3.402 1.00 . A A . 8 LYS CD 1 1 5 988 1 1 8 LYS CE C -2.617 -5.075 -2.690 1.00 . A A . 8 LYS CE 1 1 5 989 1 1 8 LYS CG C -4.399 -3.553 -3.604 1.00 . A A . 8 LYS CG 1 1 5 990 1 1 8 LYS H H -6.165 -0.988 -0.631 1.00 . A A . 8 LYS H 1 1 5 991 1 1 8 LYS HA H -4.798 -3.554 -1.073 1.00 . A A . 8 LYS HA 1 1 5 992 1 1 8 LYS HB2 H -5.937 -2.171 -3.122 1.00 . A A . 8 LYS HB2 1 1 5 993 1 1 8 LYS HB3 H -4.318 -1.487 -3.120 1.00 . A A . 8 LYS HB3 1 1 5 994 1 1 8 LYS HD2 H -2.421 -3.775 -4.366 1.00 . A A . 8 LYS HD2 1 1 5 995 1 1 8 LYS HD3 H -2.514 -2.948 -2.812 1.00 . A A . 8 LYS HD3 1 1 5 996 1 1 8 LYS HE2 H -3.231 -5.132 -1.804 1.00 . A A . 8 LYS HE2 1 1 5 997 1 1 8 LYS HE3 H -2.866 -5.891 -3.353 1.00 . A A . 8 LYS HE3 1 1 5 998 1 1 8 LYS HG2 H -4.925 -4.432 -3.265 1.00 . A A . 8 LYS HG2 1 1 5 999 1 1 8 LYS HG3 H -4.591 -3.401 -4.656 1.00 . A A . 8 LYS HG3 1 1 5 1000 1 1 8 LYS HZ1 H -0.894 -4.348 -1.758 1.00 . A A . 8 LYS HZ1 1 1 5 1001 1 1 8 LYS HZ2 H -0.587 -5.272 -3.141 1.00 . A A . 8 LYS HZ2 1 1 5 1002 1 1 8 LYS HZ3 H -1.045 -6.033 -1.702 1.00 . A A . 8 LYS HZ3 1 1 5 1003 1 1 8 LYS N N -6.058 -1.959 -0.704 1.00 . A A . 8 LYS N 1 1 5 1004 1 1 8 LYS NZ N -1.186 -5.190 -2.295 1.00 . A A . 8 LYS NZ 1 1 5 1005 1 1 8 LYS O O -3.560 -0.601 -0.601 1.00 . A A . 8 LYS O 1 1 5 1006 1 1 9 TRP C C -0.291 -1.942 -1.200 1.00 . A A . 9 TRP C 1 1 5 1007 1 1 9 TRP CA C -1.280 -2.099 -0.052 1.00 . A A . 9 TRP CA 1 1 5 1008 1 1 9 TRP CB C -0.702 -3.063 0.974 1.00 . A A . 9 TRP CB 1 1 5 1009 1 1 9 TRP CD1 C -1.772 -3.691 3.154 1.00 . A A . 9 TRP CD1 1 1 5 1010 1 1 9 TRP CD2 C -1.011 -1.609 3.097 1.00 . A A . 9 TRP CD2 1 1 5 1011 1 1 9 TRP CE2 C -1.569 -1.832 4.366 1.00 . A A . 9 TRP CE2 1 1 5 1012 1 1 9 TRP CE3 C -0.463 -0.370 2.806 1.00 . A A . 9 TRP CE3 1 1 5 1013 1 1 9 TRP CG C -1.156 -2.810 2.356 1.00 . A A . 9 TRP CG 1 1 5 1014 1 1 9 TRP CH2 C -1.038 0.367 5.031 1.00 . A A . 9 TRP CH2 1 1 5 1015 1 1 9 TRP CZ2 C -1.588 -0.847 5.349 1.00 . A A . 9 TRP CZ2 1 1 5 1016 1 1 9 TRP CZ3 C -0.480 0.607 3.772 1.00 . A A . 9 TRP CZ3 1 1 5 1017 1 1 9 TRP H H -2.639 -3.574 -0.712 1.00 . A A . 9 TRP H 1 1 5 1018 1 1 9 TRP HA H -1.449 -1.138 0.416 1.00 . A A . 9 TRP HA 1 1 5 1019 1 1 9 TRP HB2 H -0.977 -4.059 0.713 1.00 . A A . 9 TRP HB2 1 1 5 1020 1 1 9 TRP HB3 H 0.357 -2.999 0.972 1.00 . A A . 9 TRP HB3 1 1 5 1021 1 1 9 TRP HD1 H -2.010 -4.685 2.844 1.00 . A A . 9 TRP HD1 1 1 5 1022 1 1 9 TRP HE1 H -2.473 -3.567 5.135 1.00 . A A . 9 TRP HE1 1 1 5 1023 1 1 9 TRP HE3 H -0.024 -0.169 1.841 1.00 . A A . 9 TRP HE3 1 1 5 1024 1 1 9 TRP HH2 H -1.020 1.161 5.757 1.00 . A A . 9 TRP HH2 1 1 5 1025 1 1 9 TRP HZ2 H -2.015 -1.018 6.326 1.00 . A A . 9 TRP HZ2 1 1 5 1026 1 1 9 TRP HZ3 H -0.066 1.577 3.556 1.00 . A A . 9 TRP HZ3 1 1 5 1027 1 1 9 TRP N N -2.552 -2.612 -0.544 1.00 . A A . 9 TRP N 1 1 5 1028 1 1 9 TRP NE1 N -2.032 -3.124 4.381 1.00 . A A . 9 TRP NE1 1 1 5 1029 1 1 9 TRP O O -0.063 -2.881 -1.963 1.00 . A A . 9 TRP O 1 1 5 1030 1 1 10 THR C C 2.617 -0.111 -1.752 1.00 . A A . 10 THR C 1 1 5 1031 1 1 10 THR CA C 1.282 -0.515 -2.362 1.00 . A A . 10 THR CA 1 1 5 1032 1 1 10 THR CB C 0.775 0.565 -3.319 1.00 . A A . 10 THR CB 1 1 5 1033 1 1 10 THR CG2 C -0.205 0.035 -4.344 1.00 . A A . 10 THR CG2 1 1 5 1034 1 1 10 THR H H 0.097 -0.056 -0.670 1.00 . A A . 10 THR H 1 1 5 1035 1 1 10 THR HA H 1.418 -1.435 -2.912 1.00 . A A . 10 THR HA 1 1 5 1036 1 1 10 THR HB H 1.616 0.986 -3.851 1.00 . A A . 10 THR HB 1 1 5 1037 1 1 10 THR HG1 H -0.056 2.333 -3.205 1.00 . A A . 10 THR HG1 1 1 5 1038 1 1 10 THR HG21 H 0.319 -0.191 -5.260 1.00 . A A . 10 THR HG21 1 1 5 1039 1 1 10 THR HG22 H -0.963 0.780 -4.537 1.00 . A A . 10 THR HG22 1 1 5 1040 1 1 10 THR HG23 H -0.672 -0.864 -3.965 1.00 . A A . 10 THR HG23 1 1 5 1041 1 1 10 THR N N 0.306 -0.766 -1.312 1.00 . A A . 10 THR N 1 1 5 1042 1 1 10 THR O O 2.695 0.839 -0.973 1.00 . A A . 10 THR O 1 1 5 1043 1 1 10 THR OG1 O 0.130 1.605 -2.608 1.00 . A A . 10 THR OG1 1 1 5 1044 1 1 11 TRP C C 5.721 0.466 -2.394 1.00 . A A . 11 TRP C 1 1 5 1045 1 1 11 TRP CA C 4.993 -0.588 -1.568 1.00 . A A . 11 TRP CA 1 1 5 1046 1 1 11 TRP CB C 5.806 -1.882 -1.531 1.00 . A A . 11 TRP CB 1 1 5 1047 1 1 11 TRP CD1 C 8.361 -1.958 -1.725 1.00 . A A . 11 TRP CD1 1 1 5 1048 1 1 11 TRP CD2 C 7.605 -1.179 0.231 1.00 . A A . 11 TRP CD2 1 1 5 1049 1 1 11 TRP CE2 C 9.012 -1.168 0.258 1.00 . A A . 11 TRP CE2 1 1 5 1050 1 1 11 TRP CE3 C 6.906 -0.730 1.352 1.00 . A A . 11 TRP CE3 1 1 5 1051 1 1 11 TRP CG C 7.209 -1.689 -1.044 1.00 . A A . 11 TRP CG 1 1 5 1052 1 1 11 TRP CH2 C 9.019 -0.291 2.450 1.00 . A A . 11 TRP CH2 1 1 5 1053 1 1 11 TRP CZ2 C 9.732 -0.725 1.366 1.00 . A A . 11 TRP CZ2 1 1 5 1054 1 1 11 TRP CZ3 C 7.619 -0.292 2.450 1.00 . A A . 11 TRP CZ3 1 1 5 1055 1 1 11 TRP H H 3.532 -1.605 -2.710 1.00 . A A . 11 TRP H 1 1 5 1056 1 1 11 TRP HA H 4.880 -0.219 -0.560 1.00 . A A . 11 TRP HA 1 1 5 1057 1 1 11 TRP HB2 H 5.316 -2.584 -0.871 1.00 . A A . 11 TRP HB2 1 1 5 1058 1 1 11 TRP HB3 H 5.850 -2.301 -2.526 1.00 . A A . 11 TRP HB3 1 1 5 1059 1 1 11 TRP HD1 H 8.395 -2.357 -2.728 1.00 . A A . 11 TRP HD1 1 1 5 1060 1 1 11 TRP HE1 H 10.388 -1.755 -1.214 1.00 . A A . 11 TRP HE1 1 1 5 1061 1 1 11 TRP HE3 H 5.826 -0.723 1.371 1.00 . A A . 11 TRP HE3 1 1 5 1062 1 1 11 TRP HH2 H 9.535 0.061 3.332 1.00 . A A . 11 TRP HH2 1 1 5 1063 1 1 11 TRP HZ2 H 10.811 -0.718 1.381 1.00 . A A . 11 TRP HZ2 1 1 5 1064 1 1 11 TRP HZ3 H 7.093 0.058 3.323 1.00 . A A . 11 TRP HZ3 1 1 5 1065 1 1 11 TRP N N 3.662 -0.852 -2.096 1.00 . A A . 11 TRP N 1 1 5 1066 1 1 11 TRP NE1 N 9.451 -1.649 -0.948 1.00 . A A . 11 TRP NE1 1 1 5 1067 1 1 11 TRP O O 5.464 0.623 -3.588 1.00 . A A . 11 TRP O 1 1 5 1068 1 1 12 LYS C C 8.508 2.755 -1.505 1.00 . A A . 12 LYS C 1 1 5 1069 1 1 12 LYS CA C 7.407 2.222 -2.417 1.00 . A A . 12 LYS CA 1 1 5 1070 1 1 12 LYS CB C 6.490 3.366 -2.855 1.00 . A A . 12 LYS CB 1 1 5 1071 1 1 12 LYS CD C 4.530 3.351 -4.433 1.00 . A A . 12 LYS CD 1 1 5 1072 1 1 12 LYS CE C 4.059 4.793 -4.533 1.00 . A A . 12 LYS CE 1 1 5 1073 1 1 12 LYS CG C 6.043 3.268 -4.306 1.00 . A A . 12 LYS CG 1 1 5 1074 1 1 12 LYS H H 6.794 1.007 -0.793 1.00 . A A . 12 LYS H 1 1 5 1075 1 1 12 LYS HA H 7.862 1.782 -3.292 1.00 . A A . 12 LYS HA 1 1 5 1076 1 1 12 LYS HB2 H 5.610 3.367 -2.228 1.00 . A A . 12 LYS HB2 1 1 5 1077 1 1 12 LYS HB3 H 7.013 4.302 -2.726 1.00 . A A . 12 LYS HB3 1 1 5 1078 1 1 12 LYS HD2 H 4.223 2.820 -5.321 1.00 . A A . 12 LYS HD2 1 1 5 1079 1 1 12 LYS HD3 H 4.079 2.895 -3.564 1.00 . A A . 12 LYS HD3 1 1 5 1080 1 1 12 LYS HE2 H 4.375 5.325 -3.648 1.00 . A A . 12 LYS HE2 1 1 5 1081 1 1 12 LYS HE3 H 4.510 5.246 -5.404 1.00 . A A . 12 LYS HE3 1 1 5 1082 1 1 12 LYS HG2 H 6.485 4.079 -4.864 1.00 . A A . 12 LYS HG2 1 1 5 1083 1 1 12 LYS HG3 H 6.378 2.324 -4.712 1.00 . A A . 12 LYS HG3 1 1 5 1084 1 1 12 LYS HZ1 H 2.265 4.491 -5.561 1.00 . A A . 12 LYS HZ1 1 1 5 1085 1 1 12 LYS HZ2 H 2.276 5.881 -4.597 1.00 . A A . 12 LYS HZ2 1 1 5 1086 1 1 12 LYS HZ3 H 2.123 4.356 -3.880 1.00 . A A . 12 LYS HZ3 1 1 5 1087 1 1 12 LYS N N 6.635 1.183 -1.747 1.00 . A A . 12 LYS N 1 1 5 1088 1 1 12 LYS NZ N 2.577 4.887 -4.651 1.00 . A A . 12 LYS NZ 1 1 5 1089 1 1 12 LYS O O 8.232 3.321 -0.448 1.00 . A A . 12 LYS O 1 1 5 1090 1 1 13 NH2 N N 9.760 2.472 -1.846 1.00 . A A . 13 NH2 N 1 1 6 1091 1 1 1 SER C C 5.445 2.082 3.199 1.00 . A A . 1 SER C 1 1 6 1092 1 1 1 SER CA C 6.413 2.722 4.189 1.00 . A A . 1 SER CA 1 1 6 1093 1 1 1 SER CB C 5.735 3.886 4.914 1.00 . A A . 1 SER CB 1 1 6 1094 1 1 1 SER H1 H 8.204 2.418 3.224 1.00 . A A . 1 SER H1 1 1 6 1095 1 1 1 SER H2 H 8.134 3.849 4.169 1.00 . A A . 1 SER H2 1 1 6 1096 1 1 1 SER H3 H 7.312 3.770 2.664 1.00 . A A . 1 SER H3 1 1 6 1097 1 1 1 SER HA H 6.718 1.981 4.913 1.00 . A A . 1 SER HA 1 1 6 1098 1 1 1 SER HB2 H 5.647 4.725 4.240 1.00 . A A . 1 SER HB2 1 1 6 1099 1 1 1 SER HB3 H 4.750 3.581 5.238 1.00 . A A . 1 SER HB3 1 1 6 1100 1 1 1 SER HG H 6.869 5.152 5.887 1.00 . A A . 1 SER HG 1 1 6 1101 1 1 1 SER N N 7.625 3.236 3.499 1.00 . A A . 1 SER N 1 1 6 1102 1 1 1 SER O O 5.742 1.969 2.010 1.00 . A A . 1 SER O 1 1 6 1103 1 1 1 SER OG O 6.484 4.288 6.047 1.00 . A A . 1 SER OG 1 1 6 1104 1 1 2 TRP C C 2.128 2.001 2.577 1.00 . A A . 2 TRP C 1 1 6 1105 1 1 2 TRP CA C 3.274 1.036 2.857 1.00 . A A . 2 TRP CA 1 1 6 1106 1 1 2 TRP CB C 2.754 -0.240 3.524 1.00 . A A . 2 TRP CB 1 1 6 1107 1 1 2 TRP CD1 C 4.553 -2.048 3.771 1.00 . A A . 2 TRP CD1 1 1 6 1108 1 1 2 TRP CD2 C 3.333 -2.211 1.901 1.00 . A A . 2 TRP CD2 1 1 6 1109 1 1 2 TRP CE2 C 4.287 -3.245 1.904 1.00 . A A . 2 TRP CE2 1 1 6 1110 1 1 2 TRP CE3 C 2.450 -2.115 0.823 1.00 . A A . 2 TRP CE3 1 1 6 1111 1 1 2 TRP CG C 3.521 -1.455 3.102 1.00 . A A . 2 TRP CG 1 1 6 1112 1 1 2 TRP CH2 C 3.507 -4.047 -0.177 1.00 . A A . 2 TRP CH2 1 1 6 1113 1 1 2 TRP CZ2 C 4.383 -4.172 0.867 1.00 . A A . 2 TRP CZ2 1 1 6 1114 1 1 2 TRP CZ3 C 2.545 -3.029 -0.200 1.00 . A A . 2 TRP CZ3 1 1 6 1115 1 1 2 TRP H H 4.107 1.783 4.654 1.00 . A A . 2 TRP H 1 1 6 1116 1 1 2 TRP HA H 3.742 0.775 1.920 1.00 . A A . 2 TRP HA 1 1 6 1117 1 1 2 TRP HB2 H 2.834 -0.141 4.597 1.00 . A A . 2 TRP HB2 1 1 6 1118 1 1 2 TRP HB3 H 1.720 -0.385 3.258 1.00 . A A . 2 TRP HB3 1 1 6 1119 1 1 2 TRP HD1 H 4.938 -1.708 4.721 1.00 . A A . 2 TRP HD1 1 1 6 1120 1 1 2 TRP HE1 H 5.759 -3.710 3.326 1.00 . A A . 2 TRP HE1 1 1 6 1121 1 1 2 TRP HE3 H 1.686 -1.354 0.785 1.00 . A A . 2 TRP HE3 1 1 6 1122 1 1 2 TRP HH2 H 3.545 -4.742 -1.003 1.00 . A A . 2 TRP HH2 1 1 6 1123 1 1 2 TRP HZ2 H 5.120 -4.962 0.872 1.00 . A A . 2 TRP HZ2 1 1 6 1124 1 1 2 TRP HZ3 H 1.872 -2.953 -1.040 1.00 . A A . 2 TRP HZ3 1 1 6 1125 1 1 2 TRP N N 4.286 1.665 3.698 1.00 . A A . 2 TRP N 1 1 6 1126 1 1 2 TRP NE1 N 5.021 -3.125 3.056 1.00 . A A . 2 TRP NE1 1 1 6 1127 1 1 2 TRP O O 1.835 2.879 3.389 1.00 . A A . 2 TRP O 1 1 6 1128 1 1 3 THR C C -0.928 1.935 0.927 1.00 . A A . 3 THR C 1 1 6 1129 1 1 3 THR CA C 0.371 2.720 1.056 1.00 . A A . 3 THR CA 1 1 6 1130 1 1 3 THR CB C 0.676 3.440 -0.257 1.00 . A A . 3 THR CB 1 1 6 1131 1 1 3 THR CG2 C -0.325 4.525 -0.591 1.00 . A A . 3 THR CG2 1 1 6 1132 1 1 3 THR H H 1.756 1.124 0.806 1.00 . A A . 3 THR H 1 1 6 1133 1 1 3 THR HA H 0.257 3.454 1.840 1.00 . A A . 3 THR HA 1 1 6 1134 1 1 3 THR HB H 0.664 2.720 -1.062 1.00 . A A . 3 THR HB 1 1 6 1135 1 1 3 THR HG1 H 2.045 4.557 0.588 1.00 . A A . 3 THR HG1 1 1 6 1136 1 1 3 THR HG21 H -1.242 4.074 -0.939 1.00 . A A . 3 THR HG21 1 1 6 1137 1 1 3 THR HG22 H 0.079 5.162 -1.364 1.00 . A A . 3 THR HG22 1 1 6 1138 1 1 3 THR HG23 H -0.526 5.114 0.292 1.00 . A A . 3 THR HG23 1 1 6 1139 1 1 3 THR N N 1.481 1.842 1.422 1.00 . A A . 3 THR N 1 1 6 1140 1 1 3 THR O O -1.033 1.016 0.119 1.00 . A A . 3 THR O 1 1 6 1141 1 1 3 THR OG1 O 1.960 4.038 -0.215 1.00 . A A . 3 THR OG1 1 1 6 1142 1 1 4 TRP C C -4.187 2.402 0.815 1.00 . A A . 4 TRP C 1 1 6 1143 1 1 4 TRP CA C -3.213 1.646 1.715 1.00 . A A . 4 TRP CA 1 1 6 1144 1 1 4 TRP CB C -3.765 1.571 3.140 1.00 . A A . 4 TRP CB 1 1 6 1145 1 1 4 TRP CD1 C -6.015 0.779 3.999 1.00 . A A . 4 TRP CD1 1 1 6 1146 1 1 4 TRP CD2 C -4.868 -0.760 2.881 1.00 . A A . 4 TRP CD2 1 1 6 1147 1 1 4 TRP CE2 C -6.083 -1.332 3.286 1.00 . A A . 4 TRP CE2 1 1 6 1148 1 1 4 TRP CE3 C -3.965 -1.519 2.165 1.00 . A A . 4 TRP CE3 1 1 6 1149 1 1 4 TRP CG C -4.855 0.581 3.333 1.00 . A A . 4 TRP CG 1 1 6 1150 1 1 4 TRP CH2 C -5.504 -3.385 2.278 1.00 . A A . 4 TRP CH2 1 1 6 1151 1 1 4 TRP CZ2 C -6.415 -2.650 2.990 1.00 . A A . 4 TRP CZ2 1 1 6 1152 1 1 4 TRP CZ3 C -4.284 -2.831 1.867 1.00 . A A . 4 TRP CZ3 1 1 6 1153 1 1 4 TRP H H -1.768 3.053 2.351 1.00 . A A . 4 TRP H 1 1 6 1154 1 1 4 TRP HA H -3.077 0.649 1.330 1.00 . A A . 4 TRP HA 1 1 6 1155 1 1 4 TRP HB2 H -2.980 1.319 3.823 1.00 . A A . 4 TRP HB2 1 1 6 1156 1 1 4 TRP HB3 H -4.147 2.524 3.398 1.00 . A A . 4 TRP HB3 1 1 6 1157 1 1 4 TRP HD1 H -6.280 1.708 4.467 1.00 . A A . 4 TRP HD1 1 1 6 1158 1 1 4 TRP HE1 H -7.662 -0.475 4.376 1.00 . A A . 4 TRP HE1 1 1 6 1159 1 1 4 TRP HE3 H -3.028 -1.091 1.853 1.00 . A A . 4 TRP HE3 1 1 6 1160 1 1 4 TRP HH2 H -5.716 -4.414 2.027 1.00 . A A . 4 TRP HH2 1 1 6 1161 1 1 4 TRP HZ2 H -7.353 -3.085 3.297 1.00 . A A . 4 TRP HZ2 1 1 6 1162 1 1 4 TRP HZ3 H -3.590 -3.441 1.308 1.00 . A A . 4 TRP HZ3 1 1 6 1163 1 1 4 TRP N N -1.915 2.310 1.729 1.00 . A A . 4 TRP N 1 1 6 1164 1 1 4 TRP NE1 N -6.776 -0.367 3.972 1.00 . A A . 4 TRP NE1 1 1 6 1165 1 1 4 TRP O O -4.444 3.588 1.026 1.00 . A A . 4 TRP O 1 1 6 1166 1 1 5 GLU C C -6.797 1.404 -1.497 1.00 . A A . 5 GLU C 1 1 6 1167 1 1 5 GLU CA C -5.652 2.344 -1.124 1.00 . A A . 5 GLU CA 1 1 6 1168 1 1 5 GLU CB C -4.917 2.791 -2.388 1.00 . A A . 5 GLU CB 1 1 6 1169 1 1 5 GLU CD C -3.317 2.175 -4.244 1.00 . A A . 5 GLU CD 1 1 6 1170 1 1 5 GLU CG C -4.087 1.691 -3.030 1.00 . A A . 5 GLU CG 1 1 6 1171 1 1 5 GLU H H -4.473 0.779 -0.320 1.00 . A A . 5 GLU H 1 1 6 1172 1 1 5 GLU HA H -6.066 3.214 -0.637 1.00 . A A . 5 GLU HA 1 1 6 1173 1 1 5 GLU HB2 H -5.643 3.133 -3.111 1.00 . A A . 5 GLU HB2 1 1 6 1174 1 1 5 GLU HB3 H -4.258 3.609 -2.137 1.00 . A A . 5 GLU HB3 1 1 6 1175 1 1 5 GLU HG2 H -3.383 1.317 -2.302 1.00 . A A . 5 GLU HG2 1 1 6 1176 1 1 5 GLU HG3 H -4.747 0.892 -3.336 1.00 . A A . 5 GLU HG3 1 1 6 1177 1 1 5 GLU N N -4.718 1.718 -0.194 1.00 . A A . 5 GLU N 1 1 6 1178 1 1 5 GLU O O -6.591 0.386 -2.158 1.00 . A A . 5 GLU O 1 1 6 1179 1 1 5 GLU OE1 O -2.085 2.346 -4.135 1.00 . A A . 5 GLU OE1 1 1 6 1180 1 1 5 GLU OE2 O -3.947 2.382 -5.302 1.00 . A A . 5 GLU OE2 1 1 6 1181 1 1 6 ASN C C -9.008 -0.505 -1.114 1.00 . A A . 6 ASN C 1 1 6 1182 1 1 6 ASN CA C -9.204 0.987 -1.386 1.00 . A A . 6 ASN CA 1 1 6 1183 1 1 6 ASN CB C -9.616 1.201 -2.844 1.00 . A A . 6 ASN CB 1 1 6 1184 1 1 6 ASN CG C -11.102 1.459 -2.987 1.00 . A A . 6 ASN CG 1 1 6 1185 1 1 6 ASN H H -8.102 2.602 -0.576 1.00 . A A . 6 ASN H 1 1 6 1186 1 1 6 ASN HA H -9.998 1.349 -0.750 1.00 . A A . 6 ASN HA 1 1 6 1187 1 1 6 ASN HB2 H -9.081 2.054 -3.241 1.00 . A A . 6 ASN HB2 1 1 6 1188 1 1 6 ASN HB3 H -9.363 0.319 -3.418 1.00 . A A . 6 ASN HB3 1 1 6 1189 1 1 6 ASN HD21 H -11.027 2.823 -1.543 1.00 . A A . 6 ASN HD21 1 1 6 1190 1 1 6 ASN HD22 H -12.582 2.557 -2.244 1.00 . A A . 6 ASN HD22 1 1 6 1191 1 1 6 ASN N N -8.007 1.771 -1.085 1.00 . A A . 6 ASN N 1 1 6 1192 1 1 6 ASN ND2 N -11.623 2.373 -2.177 1.00 . A A . 6 ASN ND2 1 1 6 1193 1 1 6 ASN O O -9.386 -1.346 -1.931 1.00 . A A . 6 ASN O 1 1 6 1194 1 1 6 ASN OD1 O -11.774 0.845 -3.816 1.00 . A A . 6 ASN OD1 1 1 6 1195 1 1 7 GLY C C -7.000 -2.835 -0.263 1.00 . A A . 7 GLY C 1 1 6 1196 1 1 7 GLY CA C -8.231 -2.227 0.386 1.00 . A A . 7 GLY CA 1 1 6 1197 1 1 7 GLY H H -8.164 -0.131 0.665 1.00 . A A . 7 GLY H 1 1 6 1198 1 1 7 GLY HA2 H -8.135 -2.306 1.458 1.00 . A A . 7 GLY HA2 1 1 6 1199 1 1 7 GLY HA3 H -9.100 -2.791 0.071 1.00 . A A . 7 GLY HA3 1 1 6 1200 1 1 7 GLY N N -8.436 -0.834 0.039 1.00 . A A . 7 GLY N 1 1 6 1201 1 1 7 GLY O O -6.885 -4.057 -0.352 1.00 . A A . 7 GLY O 1 1 6 1202 1 1 8 LYS C C -3.619 -1.766 -0.838 1.00 . A A . 8 LYS C 1 1 6 1203 1 1 8 LYS CA C -4.860 -2.485 -1.361 1.00 . A A . 8 LYS CA 1 1 6 1204 1 1 8 LYS CB C -4.957 -2.314 -2.878 1.00 . A A . 8 LYS CB 1 1 6 1205 1 1 8 LYS CD C -4.010 -4.339 -4.028 1.00 . A A . 8 LYS CD 1 1 6 1206 1 1 8 LYS CE C -2.761 -5.184 -3.839 1.00 . A A . 8 LYS CE 1 1 6 1207 1 1 8 LYS CG C -3.769 -2.891 -3.632 1.00 . A A . 8 LYS CG 1 1 6 1208 1 1 8 LYS H H -6.215 -1.027 -0.627 1.00 . A A . 8 LYS H 1 1 6 1209 1 1 8 LYS HA H -4.772 -3.537 -1.135 1.00 . A A . 8 LYS HA 1 1 6 1210 1 1 8 LYS HB2 H -5.852 -2.807 -3.228 1.00 . A A . 8 LYS HB2 1 1 6 1211 1 1 8 LYS HB3 H -5.024 -1.261 -3.107 1.00 . A A . 8 LYS HB3 1 1 6 1212 1 1 8 LYS HD2 H -4.802 -4.743 -3.415 1.00 . A A . 8 LYS HD2 1 1 6 1213 1 1 8 LYS HD3 H -4.304 -4.373 -5.067 1.00 . A A . 8 LYS HD3 1 1 6 1214 1 1 8 LYS HE2 H -2.737 -5.945 -4.604 1.00 . A A . 8 LYS HE2 1 1 6 1215 1 1 8 LYS HE3 H -1.893 -4.547 -3.937 1.00 . A A . 8 LYS HE3 1 1 6 1216 1 1 8 LYS HG2 H -3.604 -2.307 -4.525 1.00 . A A . 8 LYS HG2 1 1 6 1217 1 1 8 LYS HG3 H -2.895 -2.840 -2.999 1.00 . A A . 8 LYS HG3 1 1 6 1218 1 1 8 LYS HZ1 H -3.190 -5.231 -1.795 1.00 . A A . 8 LYS HZ1 1 1 6 1219 1 1 8 LYS HZ2 H -1.749 -6.013 -2.210 1.00 . A A . 8 LYS HZ2 1 1 6 1220 1 1 8 LYS HZ3 H -3.235 -6.750 -2.540 1.00 . A A . 8 LYS HZ3 1 1 6 1221 1 1 8 LYS N N -6.076 -1.992 -0.721 1.00 . A A . 8 LYS N 1 1 6 1222 1 1 8 LYS NZ N -2.732 -5.840 -2.503 1.00 . A A . 8 LYS NZ 1 1 6 1223 1 1 8 LYS O O -3.633 -0.557 -0.619 1.00 . A A . 8 LYS O 1 1 6 1224 1 1 9 TRP C C -0.322 -1.698 -1.295 1.00 . A A . 9 TRP C 1 1 6 1225 1 1 9 TRP CA C -1.289 -1.979 -0.149 1.00 . A A . 9 TRP CA 1 1 6 1226 1 1 9 TRP CB C -0.656 -2.965 0.820 1.00 . A A . 9 TRP CB 1 1 6 1227 1 1 9 TRP CD1 C -1.654 -3.704 3.001 1.00 . A A . 9 TRP CD1 1 1 6 1228 1 1 9 TRP CD2 C -0.967 -1.596 3.000 1.00 . A A . 9 TRP CD2 1 1 6 1229 1 1 9 TRP CE2 C -1.488 -1.881 4.272 1.00 . A A . 9 TRP CE2 1 1 6 1230 1 1 9 TRP CE3 C -0.468 -0.328 2.740 1.00 . A A . 9 TRP CE3 1 1 6 1231 1 1 9 TRP CG C -1.086 -2.776 2.221 1.00 . A A . 9 TRP CG 1 1 6 1232 1 1 9 TRP CH2 C -1.019 0.312 5.002 1.00 . A A . 9 TRP CH2 1 1 6 1233 1 1 9 TRP CZ2 C -1.520 -0.931 5.288 1.00 . A A . 9 TRP CZ2 1 1 6 1234 1 1 9 TRP CZ3 C -0.497 0.614 3.741 1.00 . A A . 9 TRP CZ3 1 1 6 1235 1 1 9 TRP H H -2.602 -3.487 -0.833 1.00 . A A . 9 TRP H 1 1 6 1236 1 1 9 TRP HA H -1.498 -1.057 0.374 1.00 . A A . 9 TRP HA 1 1 6 1237 1 1 9 TRP HB2 H -0.909 -3.958 0.526 1.00 . A A . 9 TRP HB2 1 1 6 1238 1 1 9 TRP HB3 H 0.398 -2.868 0.797 1.00 . A A . 9 TRP HB3 1 1 6 1239 1 1 9 TRP HD1 H -1.865 -4.695 2.662 1.00 . A A . 9 TRP HD1 1 1 6 1240 1 1 9 TRP HE1 H -2.315 -3.672 5.000 1.00 . A A . 9 TRP HE1 1 1 6 1241 1 1 9 TRP HE3 H -0.058 -0.080 1.774 1.00 . A A . 9 TRP HE3 1 1 6 1242 1 1 9 TRP HH2 H -1.013 1.080 5.755 1.00 . A A . 9 TRP HH2 1 1 6 1243 1 1 9 TRP HZ2 H -1.919 -1.151 6.268 1.00 . A A . 9 TRP HZ2 1 1 6 1244 1 1 9 TRP HZ3 H -0.120 1.605 3.551 1.00 . A A . 9 TRP HZ3 1 1 6 1245 1 1 9 TRP N N -2.546 -2.526 -0.644 1.00 . A A . 9 TRP N 1 1 6 1246 1 1 9 TRP NE1 N -1.906 -3.188 4.252 1.00 . A A . 9 TRP NE1 1 1 6 1247 1 1 9 TRP O O -0.249 -2.459 -2.259 1.00 . A A . 9 TRP O 1 1 6 1248 1 1 10 THR C C 2.760 0.020 -1.561 1.00 . A A . 10 THR C 1 1 6 1249 1 1 10 THR CA C 1.396 -0.232 -2.193 1.00 . A A . 10 THR CA 1 1 6 1250 1 1 10 THR CB C 0.927 1.011 -2.954 1.00 . A A . 10 THR CB 1 1 6 1251 1 1 10 THR CG2 C 0.895 0.810 -4.452 1.00 . A A . 10 THR CG2 1 1 6 1252 1 1 10 THR H H 0.326 -0.046 -0.379 1.00 . A A . 10 THR H 1 1 6 1253 1 1 10 THR HA H 1.483 -1.055 -2.887 1.00 . A A . 10 THR HA 1 1 6 1254 1 1 10 THR HB H 1.602 1.828 -2.744 1.00 . A A . 10 THR HB 1 1 6 1255 1 1 10 THR HG1 H -1.009 0.733 -2.835 1.00 . A A . 10 THR HG1 1 1 6 1256 1 1 10 THR HG21 H -0.082 1.069 -4.830 1.00 . A A . 10 THR HG21 1 1 6 1257 1 1 10 THR HG22 H 1.106 -0.226 -4.679 1.00 . A A . 10 THR HG22 1 1 6 1258 1 1 10 THR HG23 H 1.640 1.439 -4.916 1.00 . A A . 10 THR HG23 1 1 6 1259 1 1 10 THR N N 0.425 -0.608 -1.176 1.00 . A A . 10 THR N 1 1 6 1260 1 1 10 THR O O 2.891 0.839 -0.651 1.00 . A A . 10 THR O 1 1 6 1261 1 1 10 THR OG1 O -0.375 1.392 -2.544 1.00 . A A . 10 THR OG1 1 1 6 1262 1 1 11 TRP C C 5.905 0.506 -2.297 1.00 . A A . 11 TRP C 1 1 6 1263 1 1 11 TRP CA C 5.123 -0.545 -1.517 1.00 . A A . 11 TRP CA 1 1 6 1264 1 1 11 TRP CB C 5.858 -1.886 -1.565 1.00 . A A . 11 TRP CB 1 1 6 1265 1 1 11 TRP CD1 C 8.402 -2.132 -1.752 1.00 . A A . 11 TRP CD1 1 1 6 1266 1 1 11 TRP CD2 C 7.694 -1.372 0.230 1.00 . A A . 11 TRP CD2 1 1 6 1267 1 1 11 TRP CE2 C 9.098 -1.461 0.260 1.00 . A A . 11 TRP CE2 1 1 6 1268 1 1 11 TRP CE3 C 7.023 -0.916 1.368 1.00 . A A . 11 TRP CE3 1 1 6 1269 1 1 11 TRP CG C 7.268 -1.807 -1.065 1.00 . A A . 11 TRP CG 1 1 6 1270 1 1 11 TRP CH2 C 9.159 -0.666 2.483 1.00 . A A . 11 TRP CH2 1 1 6 1271 1 1 11 TRP CZ2 C 9.843 -1.110 1.384 1.00 . A A . 11 TRP CZ2 1 1 6 1272 1 1 11 TRP CZ3 C 7.762 -0.568 2.482 1.00 . A A . 11 TRP CZ3 1 1 6 1273 1 1 11 TRP H H 3.606 -1.332 -2.766 1.00 . A A . 11 TRP H 1 1 6 1274 1 1 11 TRP HA H 5.042 -0.228 -0.489 1.00 . A A . 11 TRP HA 1 1 6 1275 1 1 11 TRP HB2 H 5.327 -2.599 -0.953 1.00 . A A . 11 TRP HB2 1 1 6 1276 1 1 11 TRP HB3 H 5.883 -2.240 -2.585 1.00 . A A . 11 TRP HB3 1 1 6 1277 1 1 11 TRP HD1 H 8.414 -2.496 -2.769 1.00 . A A . 11 TRP HD1 1 1 6 1278 1 1 11 TRP HE1 H 10.436 -2.089 -1.229 1.00 . A A . 11 TRP HE1 1 1 6 1279 1 1 11 TRP HE3 H 5.946 -0.834 1.386 1.00 . A A . 11 TRP HE3 1 1 6 1280 1 1 11 TRP HH2 H 9.696 -0.384 3.377 1.00 . A A . 11 TRP HH2 1 1 6 1281 1 1 11 TRP HZ2 H 10.920 -1.179 1.401 1.00 . A A . 11 TRP HZ2 1 1 6 1282 1 1 11 TRP HZ3 H 7.260 -0.214 3.369 1.00 . A A . 11 TRP HZ3 1 1 6 1283 1 1 11 TRP N N 3.772 -0.691 -2.043 1.00 . A A . 11 TRP N 1 1 6 1284 1 1 11 TRP NE1 N 9.507 -1.927 -0.962 1.00 . A A . 11 TRP NE1 1 1 6 1285 1 1 11 TRP O O 5.643 0.743 -3.476 1.00 . A A . 11 TRP O 1 1 6 1286 1 1 12 LYS C C 8.721 2.707 -1.271 1.00 . A A . 12 LYS C 1 1 6 1287 1 1 12 LYS CA C 7.697 2.155 -2.257 1.00 . A A . 12 LYS CA 1 1 6 1288 1 1 12 LYS CB C 6.824 3.293 -2.792 1.00 . A A . 12 LYS CB 1 1 6 1289 1 1 12 LYS CD C 4.352 3.631 -2.472 1.00 . A A . 12 LYS CD 1 1 6 1290 1 1 12 LYS CE C 4.112 4.776 -3.443 1.00 . A A . 12 LYS CE 1 1 6 1291 1 1 12 LYS CG C 5.727 3.724 -1.831 1.00 . A A . 12 LYS CG 1 1 6 1292 1 1 12 LYS H H 7.032 0.894 -0.690 1.00 . A A . 12 LYS H 1 1 6 1293 1 1 12 LYS HA H 8.221 1.696 -3.082 1.00 . A A . 12 LYS HA 1 1 6 1294 1 1 12 LYS HB2 H 7.452 4.148 -2.994 1.00 . A A . 12 LYS HB2 1 1 6 1295 1 1 12 LYS HB3 H 6.361 2.972 -3.714 1.00 . A A . 12 LYS HB3 1 1 6 1296 1 1 12 LYS HD2 H 4.277 2.697 -3.008 1.00 . A A . 12 LYS HD2 1 1 6 1297 1 1 12 LYS HD3 H 3.601 3.665 -1.696 1.00 . A A . 12 LYS HD3 1 1 6 1298 1 1 12 LYS HE2 H 3.548 5.547 -2.938 1.00 . A A . 12 LYS HE2 1 1 6 1299 1 1 12 LYS HE3 H 5.067 5.174 -3.753 1.00 . A A . 12 LYS HE3 1 1 6 1300 1 1 12 LYS HG2 H 5.751 3.083 -0.962 1.00 . A A . 12 LYS HG2 1 1 6 1301 1 1 12 LYS HG3 H 5.907 4.746 -1.531 1.00 . A A . 12 LYS HG3 1 1 6 1302 1 1 12 LYS HZ1 H 2.700 5.083 -4.952 1.00 . A A . 12 LYS HZ1 1 1 6 1303 1 1 12 LYS HZ2 H 2.809 3.477 -4.432 1.00 . A A . 12 LYS HZ2 1 1 6 1304 1 1 12 LYS HZ3 H 4.013 4.127 -5.426 1.00 . A A . 12 LYS HZ3 1 1 6 1305 1 1 12 LYS N N 6.870 1.130 -1.629 1.00 . A A . 12 LYS N 1 1 6 1306 1 1 12 LYS NZ N 3.355 4.335 -4.647 1.00 . A A . 12 LYS NZ 1 1 6 1307 1 1 12 LYS O O 8.531 3.780 -0.698 1.00 . A A . 12 LYS O 1 1 6 1308 1 1 13 NH2 N N 9.753 1.925 -0.976 1.00 . A A . 13 NH2 N 1 1 7 1309 1 1 1 SER C C 5.517 1.977 3.280 1.00 . A A . 1 SER C 1 1 7 1310 1 1 1 SER CA C 6.461 2.614 4.295 1.00 . A A . 1 SER CA 1 1 7 1311 1 1 1 SER CB C 5.766 3.778 5.004 1.00 . A A . 1 SER CB 1 1 7 1312 1 1 1 SER H1 H 7.399 3.691 2.814 1.00 . A A . 1 SER H1 1 1 7 1313 1 1 1 SER H2 H 8.260 2.306 3.346 1.00 . A A . 1 SER H2 1 1 7 1314 1 1 1 SER H3 H 8.201 3.712 4.329 1.00 . A A . 1 SER H3 1 1 7 1315 1 1 1 SER HA H 6.745 1.872 5.025 1.00 . A A . 1 SER HA 1 1 7 1316 1 1 1 SER HB2 H 6.040 4.705 4.522 1.00 . A A . 1 SER HB2 1 1 7 1317 1 1 1 SER HB3 H 4.696 3.645 4.946 1.00 . A A . 1 SER HB3 1 1 7 1318 1 1 1 SER HG H 6.679 4.629 6.514 1.00 . A A . 1 SER HG 1 1 7 1319 1 1 1 SER N N 7.691 3.127 3.637 1.00 . A A . 1 SER N 1 1 7 1320 1 1 1 SER O O 5.861 1.825 2.107 1.00 . A A . 1 SER O 1 1 7 1321 1 1 1 SER OG O 6.146 3.845 6.367 1.00 . A A . 1 SER OG 1 1 7 1322 1 1 2 TRP C C 2.209 1.964 2.547 1.00 . A A . 2 TRP C 1 1 7 1323 1 1 2 TRP CA C 3.332 0.985 2.871 1.00 . A A . 2 TRP CA 1 1 7 1324 1 1 2 TRP CB C 2.773 -0.277 3.532 1.00 . A A . 2 TRP CB 1 1 7 1325 1 1 2 TRP CD1 C 4.559 -2.094 3.812 1.00 . A A . 2 TRP CD1 1 1 7 1326 1 1 2 TRP CD2 C 3.325 -2.293 1.955 1.00 . A A . 2 TRP CD2 1 1 7 1327 1 1 2 TRP CE2 C 4.271 -3.335 1.978 1.00 . A A . 2 TRP CE2 1 1 7 1328 1 1 2 TRP CE3 C 2.437 -2.215 0.880 1.00 . A A . 2 TRP CE3 1 1 7 1329 1 1 2 TRP CG C 3.528 -1.509 3.136 1.00 . A A . 2 TRP CG 1 1 7 1330 1 1 2 TRP CH2 C 3.470 -4.180 -0.078 1.00 . A A . 2 TRP CH2 1 1 7 1331 1 1 2 TRP CZ2 C 4.352 -4.287 0.964 1.00 . A A . 2 TRP CZ2 1 1 7 1332 1 1 2 TRP CZ3 C 2.518 -3.155 -0.121 1.00 . A A . 2 TRP CZ3 1 1 7 1333 1 1 2 TRP H H 4.111 1.754 4.683 1.00 . A A . 2 TRP H 1 1 7 1334 1 1 2 TRP HA H 3.826 0.709 1.951 1.00 . A A . 2 TRP HA 1 1 7 1335 1 1 2 TRP HB2 H 2.829 -0.174 4.606 1.00 . A A . 2 TRP HB2 1 1 7 1336 1 1 2 TRP HB3 H 1.744 -0.405 3.242 1.00 . A A . 2 TRP HB3 1 1 7 1337 1 1 2 TRP HD1 H 4.952 -1.734 4.752 1.00 . A A . 2 TRP HD1 1 1 7 1338 1 1 2 TRP HE1 H 5.747 -3.778 3.403 1.00 . A A . 2 TRP HE1 1 1 7 1339 1 1 2 TRP HE3 H 1.680 -1.448 0.828 1.00 . A A . 2 TRP HE3 1 1 7 1340 1 1 2 TRP HH2 H 3.497 -4.896 -0.887 1.00 . A A . 2 TRP HH2 1 1 7 1341 1 1 2 TRP HZ2 H 5.082 -5.084 0.984 1.00 . A A . 2 TRP HZ2 1 1 7 1342 1 1 2 TRP HZ3 H 1.841 -3.093 -0.958 1.00 . A A . 2 TRP HZ3 1 1 7 1343 1 1 2 TRP N N 4.326 1.606 3.738 1.00 . A A . 2 TRP N 1 1 7 1344 1 1 2 TRP NE1 N 5.012 -3.193 3.122 1.00 . A A . 2 TRP NE1 1 1 7 1345 1 1 2 TRP O O 1.937 2.882 3.320 1.00 . A A . 2 TRP O 1 1 7 1346 1 1 3 THR C C -0.844 1.900 0.884 1.00 . A A . 3 THR C 1 1 7 1347 1 1 3 THR CA C 0.471 2.660 0.995 1.00 . A A . 3 THR CA 1 1 7 1348 1 1 3 THR CB C 0.801 3.328 -0.341 1.00 . A A . 3 THR CB 1 1 7 1349 1 1 3 THR CG2 C -0.167 4.429 -0.714 1.00 . A A . 3 THR CG2 1 1 7 1350 1 1 3 THR H H 1.817 1.022 0.814 1.00 . A A . 3 THR H 1 1 7 1351 1 1 3 THR HA H 0.369 3.423 1.752 1.00 . A A . 3 THR HA 1 1 7 1352 1 1 3 THR HB H 0.770 2.582 -1.121 1.00 . A A . 3 THR HB 1 1 7 1353 1 1 3 THR HG1 H 2.713 3.303 -0.765 1.00 . A A . 3 THR HG1 1 1 7 1354 1 1 3 THR HG21 H 0.377 5.349 -0.870 1.00 . A A . 3 THR HG21 1 1 7 1355 1 1 3 THR HG22 H -0.883 4.565 0.084 1.00 . A A . 3 THR HG22 1 1 7 1356 1 1 3 THR HG23 H -0.686 4.160 -1.622 1.00 . A A . 3 THR HG23 1 1 7 1357 1 1 3 THR N N 1.560 1.772 1.399 1.00 . A A . 3 THR N 1 1 7 1358 1 1 3 THR O O -0.965 0.957 0.106 1.00 . A A . 3 THR O 1 1 7 1359 1 1 3 THR OG1 O 2.101 3.889 -0.313 1.00 . A A . 3 THR OG1 1 1 7 1360 1 1 4 TRP C C -4.095 2.441 0.743 1.00 . A A . 4 TRP C 1 1 7 1361 1 1 4 TRP CA C -3.140 1.688 1.665 1.00 . A A . 4 TRP CA 1 1 7 1362 1 1 4 TRP CB C -3.696 1.663 3.090 1.00 . A A . 4 TRP CB 1 1 7 1363 1 1 4 TRP CD1 C -5.967 0.949 3.962 1.00 . A A . 4 TRP CD1 1 1 7 1364 1 1 4 TRP CD2 C -4.856 -0.646 2.890 1.00 . A A . 4 TRP CD2 1 1 7 1365 1 1 4 TRP CE2 C -6.085 -1.178 3.306 1.00 . A A . 4 TRP CE2 1 1 7 1366 1 1 4 TRP CE3 C -3.970 -1.447 2.198 1.00 . A A . 4 TRP CE3 1 1 7 1367 1 1 4 TRP CG C -4.810 0.705 3.306 1.00 . A A . 4 TRP CG 1 1 7 1368 1 1 4 TRP CH2 C -5.554 -3.271 2.356 1.00 . A A . 4 TRP CH2 1 1 7 1369 1 1 4 TRP CZ2 C -6.449 -2.494 3.044 1.00 . A A . 4 TRP CZ2 1 1 7 1370 1 1 4 TRP CZ3 C -4.320 -2.758 1.934 1.00 . A A . 4 TRP CZ3 1 1 7 1371 1 1 4 TRP H H -1.668 3.084 2.263 1.00 . A A . 4 TRP H 1 1 7 1372 1 1 4 TRP HA H -3.025 0.678 1.307 1.00 . A A . 4 TRP HA 1 1 7 1373 1 1 4 TRP HB2 H -2.919 1.409 3.781 1.00 . A A . 4 TRP HB2 1 1 7 1374 1 1 4 TRP HB3 H -4.055 2.631 3.323 1.00 . A A . 4 TRP HB3 1 1 7 1375 1 1 4 TRP HD1 H -6.210 1.897 4.405 1.00 . A A . 4 TRP HD1 1 1 7 1376 1 1 4 TRP HE1 H -7.646 -0.254 4.367 1.00 . A A . 4 TRP HE1 1 1 7 1377 1 1 4 TRP HE3 H -3.021 -1.051 1.877 1.00 . A A . 4 TRP HE3 1 1 7 1378 1 1 4 TRP HH2 H -5.791 -4.301 2.131 1.00 . A A . 4 TRP HH2 1 1 7 1379 1 1 4 TRP HZ2 H -7.398 -2.898 3.359 1.00 . A A . 4 TRP HZ2 1 1 7 1380 1 1 4 TRP HZ3 H -3.639 -3.399 1.394 1.00 . A A . 4 TRP HZ3 1 1 7 1381 1 1 4 TRP N N -1.828 2.324 1.666 1.00 . A A . 4 TRP N 1 1 7 1382 1 1 4 TRP NE1 N -6.756 -0.178 3.963 1.00 . A A . 4 TRP NE1 1 1 7 1383 1 1 4 TRP O O -4.326 3.637 0.922 1.00 . A A . 4 TRP O 1 1 7 1384 1 1 5 GLU C C -6.721 1.441 -1.551 1.00 . A A . 5 GLU C 1 1 7 1385 1 1 5 GLU CA C -5.557 2.364 -1.198 1.00 . A A . 5 GLU CA 1 1 7 1386 1 1 5 GLU CB C -4.808 2.763 -2.471 1.00 . A A . 5 GLU CB 1 1 7 1387 1 1 5 GLU CD C -4.446 1.142 -4.376 1.00 . A A . 5 GLU CD 1 1 7 1388 1 1 5 GLU CG C -3.941 1.652 -3.040 1.00 . A A . 5 GLU CG 1 1 7 1389 1 1 5 GLU H H -4.414 0.795 -0.350 1.00 . A A . 5 GLU H 1 1 7 1390 1 1 5 GLU HA H -5.952 3.256 -0.735 1.00 . A A . 5 GLU HA 1 1 7 1391 1 1 5 GLU HB2 H -5.529 3.051 -3.222 1.00 . A A . 5 GLU HB2 1 1 7 1392 1 1 5 GLU HB3 H -4.174 3.609 -2.251 1.00 . A A . 5 GLU HB3 1 1 7 1393 1 1 5 GLU HG2 H -2.938 2.028 -3.173 1.00 . A A . 5 GLU HG2 1 1 7 1394 1 1 5 GLU HG3 H -3.927 0.830 -2.340 1.00 . A A . 5 GLU HG3 1 1 7 1395 1 1 5 GLU N N -4.639 1.743 -0.249 1.00 . A A . 5 GLU N 1 1 7 1396 1 1 5 GLU O O -6.535 0.399 -2.180 1.00 . A A . 5 GLU O 1 1 7 1397 1 1 5 GLU OE1 O -5.680 1.082 -4.560 1.00 . A A . 5 GLU OE1 1 1 7 1398 1 1 5 GLU OE2 O -3.608 0.805 -5.238 1.00 . A A . 5 GLU OE2 1 1 7 1399 1 1 6 ASN C C -8.978 -0.404 -1.126 1.00 . A A . 6 ASN C 1 1 7 1400 1 1 6 ASN CA C -9.138 1.084 -1.443 1.00 . A A . 6 ASN CA 1 1 7 1401 1 1 6 ASN CB C -9.535 1.264 -2.910 1.00 . A A . 6 ASN CB 1 1 7 1402 1 1 6 ASN CG C -11.013 1.556 -3.070 1.00 . A A . 6 ASN CG 1 1 7 1403 1 1 6 ASN H H -8.002 2.696 -0.674 1.00 . A A . 6 ASN H 1 1 7 1404 1 1 6 ASN HA H -9.927 1.483 -0.823 1.00 . A A . 6 ASN HA 1 1 7 1405 1 1 6 ASN HB2 H -8.976 2.090 -3.329 1.00 . A A . 6 ASN HB2 1 1 7 1406 1 1 6 ASN HB3 H -9.303 0.359 -3.455 1.00 . A A . 6 ASN HB3 1 1 7 1407 1 1 6 ASN HD21 H -10.911 2.960 -1.666 1.00 . A A . 6 ASN HD21 1 1 7 1408 1 1 6 ASN HD22 H -12.468 2.714 -2.369 1.00 . A A . 6 ASN HD22 1 1 7 1409 1 1 6 ASN N N -7.924 1.847 -1.157 1.00 . A A . 6 ASN N 1 1 7 1410 1 1 6 ASN ND2 N -11.515 2.507 -2.291 1.00 . A A . 6 ASN ND2 1 1 7 1411 1 1 6 ASN O O -9.371 -1.259 -1.920 1.00 . A A . 6 ASN O 1 1 7 1412 1 1 6 ASN OD1 O -11.696 0.936 -3.885 1.00 . A A . 6 ASN OD1 1 1 7 1413 1 1 7 GLY C C -7.035 -2.755 -0.200 1.00 . A A . 7 GLY C 1 1 7 1414 1 1 7 GLY CA C -8.251 -2.098 0.430 1.00 . A A . 7 GLY CA 1 1 7 1415 1 1 7 GLY H H -8.137 0.003 0.647 1.00 . A A . 7 GLY H 1 1 7 1416 1 1 7 GLY HA2 H -8.156 -2.147 1.504 1.00 . A A . 7 GLY HA2 1 1 7 1417 1 1 7 GLY HA3 H -9.134 -2.650 0.133 1.00 . A A . 7 GLY HA3 1 1 7 1418 1 1 7 GLY N N -8.421 -0.712 0.041 1.00 . A A . 7 GLY N 1 1 7 1419 1 1 7 GLY O O -6.951 -3.982 -0.253 1.00 . A A . 7 GLY O 1 1 7 1420 1 1 8 LYS C C -3.629 -1.787 -0.800 1.00 . A A . 8 LYS C 1 1 7 1421 1 1 8 LYS CA C -4.887 -2.490 -1.304 1.00 . A A . 8 LYS CA 1 1 7 1422 1 1 8 LYS CB C -4.978 -2.361 -2.826 1.00 . A A . 8 LYS CB 1 1 7 1423 1 1 8 LYS CD C -4.048 -4.533 -3.680 1.00 . A A . 8 LYS CD 1 1 7 1424 1 1 8 LYS CE C -2.729 -5.276 -3.822 1.00 . A A . 8 LYS CE 1 1 7 1425 1 1 8 LYS CG C -3.831 -3.033 -3.563 1.00 . A A . 8 LYS CG 1 1 7 1426 1 1 8 LYS H H -6.205 -0.979 -0.614 1.00 . A A . 8 LYS H 1 1 7 1427 1 1 8 LYS HA H -4.824 -3.537 -1.048 1.00 . A A . 8 LYS HA 1 1 7 1428 1 1 8 LYS HB2 H -5.903 -2.808 -3.159 1.00 . A A . 8 LYS HB2 1 1 7 1429 1 1 8 LYS HB3 H -4.980 -1.313 -3.087 1.00 . A A . 8 LYS HB3 1 1 7 1430 1 1 8 LYS HD2 H -4.554 -4.884 -2.794 1.00 . A A . 8 LYS HD2 1 1 7 1431 1 1 8 LYS HD3 H -4.659 -4.732 -4.549 1.00 . A A . 8 LYS HD3 1 1 7 1432 1 1 8 LYS HE2 H -2.934 -6.290 -4.132 1.00 . A A . 8 LYS HE2 1 1 7 1433 1 1 8 LYS HE3 H -2.133 -4.784 -4.576 1.00 . A A . 8 LYS HE3 1 1 7 1434 1 1 8 LYS HG2 H -3.757 -2.612 -4.555 1.00 . A A . 8 LYS HG2 1 1 7 1435 1 1 8 LYS HG3 H -2.913 -2.851 -3.023 1.00 . A A . 8 LYS HG3 1 1 7 1436 1 1 8 LYS HZ1 H -1.603 -4.357 -2.323 1.00 . A A . 8 LYS HZ1 1 1 7 1437 1 1 8 LYS HZ2 H -1.166 -5.963 -2.620 1.00 . A A . 8 LYS HZ2 1 1 7 1438 1 1 8 LYS HZ3 H -2.584 -5.618 -1.767 1.00 . A A . 8 LYS HZ3 1 1 7 1439 1 1 8 LYS N N -6.091 -1.950 -0.680 1.00 . A A . 8 LYS N 1 1 7 1440 1 1 8 LYS NZ N -1.967 -5.306 -2.544 1.00 . A A . 8 LYS NZ 1 1 7 1441 1 1 8 LYS O O -3.614 -0.572 -0.615 1.00 . A A . 8 LYS O 1 1 7 1442 1 1 9 TRP C C -0.334 -1.809 -1.256 1.00 . A A . 9 TRP C 1 1 7 1443 1 1 9 TRP CA C -1.305 -2.036 -0.103 1.00 . A A . 9 TRP CA 1 1 7 1444 1 1 9 TRP CB C -0.694 -3.010 0.893 1.00 . A A . 9 TRP CB 1 1 7 1445 1 1 9 TRP CD1 C -1.715 -3.671 3.089 1.00 . A A . 9 TRP CD1 1 1 7 1446 1 1 9 TRP CD2 C -0.977 -1.580 3.037 1.00 . A A . 9 TRP CD2 1 1 7 1447 1 1 9 TRP CE2 C -1.509 -1.821 4.314 1.00 . A A . 9 TRP CE2 1 1 7 1448 1 1 9 TRP CE3 C -0.447 -0.332 2.748 1.00 . A A . 9 TRP CE3 1 1 7 1449 1 1 9 TRP CG C -1.122 -2.776 2.287 1.00 . A A . 9 TRP CG 1 1 7 1450 1 1 9 TRP CH2 C -0.989 0.378 4.991 1.00 . A A . 9 TRP CH2 1 1 7 1451 1 1 9 TRP CZ2 C -1.520 -0.845 5.306 1.00 . A A . 9 TRP CZ2 1 1 7 1452 1 1 9 TRP CZ3 C -0.456 0.636 3.723 1.00 . A A . 9 TRP CZ3 1 1 7 1453 1 1 9 TRP H H -2.653 -3.531 -0.746 1.00 . A A . 9 TRP H 1 1 7 1454 1 1 9 TRP HA H -1.493 -1.095 0.395 1.00 . A A . 9 TRP HA 1 1 7 1455 1 1 9 TRP HB2 H -0.968 -4.005 0.624 1.00 . A A . 9 TRP HB2 1 1 7 1456 1 1 9 TRP HB3 H 0.362 -2.936 0.870 1.00 . A A . 9 TRP HB3 1 1 7 1457 1 1 9 TRP HD1 H -1.948 -4.664 2.775 1.00 . A A . 9 TRP HD1 1 1 7 1458 1 1 9 TRP HE1 H -2.380 -3.572 5.084 1.00 . A A . 9 TRP HE1 1 1 7 1459 1 1 9 TRP HE3 H -0.028 -0.119 1.777 1.00 . A A . 9 TRP HE3 1 1 7 1460 1 1 9 TRP HH2 H -0.966 1.165 5.724 1.00 . A A . 9 TRP HH2 1 1 7 1461 1 1 9 TRP HZ2 H -1.927 -1.030 6.289 1.00 . A A . 9 TRP HZ2 1 1 7 1462 1 1 9 TRP HZ3 H -0.055 1.612 3.510 1.00 . A A . 9 TRP HZ3 1 1 7 1463 1 1 9 TRP N N -2.575 -2.567 -0.583 1.00 . A A . 9 TRP N 1 1 7 1464 1 1 9 TRP NE1 N -1.958 -3.117 4.326 1.00 . A A . 9 TRP NE1 1 1 7 1465 1 1 9 TRP O O -0.269 -2.606 -2.193 1.00 . A A . 9 TRP O 1 1 7 1466 1 1 10 THR C C 2.769 -0.140 -1.581 1.00 . A A . 10 THR C 1 1 7 1467 1 1 10 THR CA C 1.403 -0.398 -2.206 1.00 . A A . 10 THR CA 1 1 7 1468 1 1 10 THR CB C 0.949 0.823 -3.011 1.00 . A A . 10 THR CB 1 1 7 1469 1 1 10 THR CG2 C 0.853 0.550 -4.495 1.00 . A A . 10 THR CG2 1 1 7 1470 1 1 10 THR H H 0.333 -0.132 -0.401 1.00 . A A . 10 THR H 1 1 7 1471 1 1 10 THR HA H 1.479 -1.247 -2.869 1.00 . A A . 10 THR HA 1 1 7 1472 1 1 10 THR HB H 1.660 1.624 -2.868 1.00 . A A . 10 THR HB 1 1 7 1473 1 1 10 THR HG1 H -0.987 0.618 -2.796 1.00 . A A . 10 THR HG1 1 1 7 1474 1 1 10 THR HG21 H 1.599 1.129 -5.018 1.00 . A A . 10 THR HG21 1 1 7 1475 1 1 10 THR HG22 H -0.130 0.825 -4.849 1.00 . A A . 10 THR HG22 1 1 7 1476 1 1 10 THR HG23 H 1.020 -0.502 -4.678 1.00 . A A . 10 THR HG23 1 1 7 1477 1 1 10 THR N N 0.426 -0.724 -1.176 1.00 . A A . 10 THR N 1 1 7 1478 1 1 10 THR O O 2.909 0.709 -0.701 1.00 . A A . 10 THR O 1 1 7 1479 1 1 10 THR OG1 O -0.322 1.273 -2.574 1.00 . A A . 10 THR OG1 1 1 7 1480 1 1 11 TRP C C 5.917 0.285 -2.321 1.00 . A A . 11 TRP C 1 1 7 1481 1 1 11 TRP CA C 5.123 -0.735 -1.513 1.00 . A A . 11 TRP CA 1 1 7 1482 1 1 11 TRP CB C 5.844 -2.083 -1.520 1.00 . A A . 11 TRP CB 1 1 7 1483 1 1 11 TRP CD1 C 8.386 -2.361 -1.692 1.00 . A A . 11 TRP CD1 1 1 7 1484 1 1 11 TRP CD2 C 7.680 -1.536 0.265 1.00 . A A . 11 TRP CD2 1 1 7 1485 1 1 11 TRP CE2 C 9.083 -1.638 0.302 1.00 . A A . 11 TRP CE2 1 1 7 1486 1 1 11 TRP CE3 C 7.010 -1.040 1.386 1.00 . A A . 11 TRP CE3 1 1 7 1487 1 1 11 TRP CG C 7.254 -2.005 -1.018 1.00 . A A . 11 TRP CG 1 1 7 1488 1 1 11 TRP CH2 C 9.146 -0.779 2.501 1.00 . A A . 11 TRP CH2 1 1 7 1489 1 1 11 TRP CZ2 C 9.828 -1.262 1.417 1.00 . A A . 11 TRP CZ2 1 1 7 1490 1 1 11 TRP CZ3 C 7.750 -0.667 2.492 1.00 . A A . 11 TRP CZ3 1 1 7 1491 1 1 11 TRP H H 3.598 -1.547 -2.734 1.00 . A A . 11 TRP H 1 1 7 1492 1 1 11 TRP HA H 5.044 -0.387 -0.494 1.00 . A A . 11 TRP HA 1 1 7 1493 1 1 11 TRP HB2 H 5.304 -2.773 -0.890 1.00 . A A . 11 TRP HB2 1 1 7 1494 1 1 11 TRP HB3 H 5.868 -2.467 -2.529 1.00 . A A . 11 TRP HB3 1 1 7 1495 1 1 11 TRP HD1 H 8.397 -2.755 -2.697 1.00 . A A . 11 TRP HD1 1 1 7 1496 1 1 11 TRP HE1 H 10.419 -2.324 -1.164 1.00 . A A . 11 TRP HE1 1 1 7 1497 1 1 11 TRP HE3 H 5.935 -0.946 1.398 1.00 . A A . 11 TRP HE3 1 1 7 1498 1 1 11 TRP HH2 H 9.683 -0.476 3.387 1.00 . A A . 11 TRP HH2 1 1 7 1499 1 1 11 TRP HZ2 H 10.905 -1.342 1.439 1.00 . A A . 11 TRP HZ2 1 1 7 1500 1 1 11 TRP HZ3 H 7.249 -0.282 3.366 1.00 . A A . 11 TRP HZ3 1 1 7 1501 1 1 11 TRP N N 3.771 -0.882 -2.035 1.00 . A A . 11 TRP N 1 1 7 1502 1 1 11 TRP NE1 N 9.491 -2.145 -0.904 1.00 . A A . 11 TRP NE1 1 1 7 1503 1 1 11 TRP O O 5.658 0.491 -3.507 1.00 . A A . 11 TRP O 1 1 7 1504 1 1 12 LYS C C 8.753 2.489 -1.356 1.00 . A A . 12 LYS C 1 1 7 1505 1 1 12 LYS CA C 7.725 1.916 -2.327 1.00 . A A . 12 LYS CA 1 1 7 1506 1 1 12 LYS CB C 6.864 3.045 -2.899 1.00 . A A . 12 LYS CB 1 1 7 1507 1 1 12 LYS CD C 4.632 4.149 -2.553 1.00 . A A . 12 LYS CD 1 1 7 1508 1 1 12 LYS CE C 4.182 5.479 -1.972 1.00 . A A . 12 LYS CE 1 1 7 1509 1 1 12 LYS CG C 5.906 3.652 -1.887 1.00 . A A . 12 LYS CG 1 1 7 1510 1 1 12 LYS H H 7.046 0.709 -0.725 1.00 . A A . 12 LYS H 1 1 7 1511 1 1 12 LYS HA H 8.246 1.428 -3.137 1.00 . A A . 12 LYS HA 1 1 7 1512 1 1 12 LYS HB2 H 7.512 3.828 -3.263 1.00 . A A . 12 LYS HB2 1 1 7 1513 1 1 12 LYS HB3 H 6.284 2.657 -3.723 1.00 . A A . 12 LYS HB3 1 1 7 1514 1 1 12 LYS HD2 H 4.815 4.273 -3.610 1.00 . A A . 12 LYS HD2 1 1 7 1515 1 1 12 LYS HD3 H 3.851 3.418 -2.405 1.00 . A A . 12 LYS HD3 1 1 7 1516 1 1 12 LYS HE2 H 3.284 5.795 -2.483 1.00 . A A . 12 LYS HE2 1 1 7 1517 1 1 12 LYS HE3 H 3.968 5.345 -0.921 1.00 . A A . 12 LYS HE3 1 1 7 1518 1 1 12 LYS HG2 H 5.647 2.901 -1.155 1.00 . A A . 12 LYS HG2 1 1 7 1519 1 1 12 LYS HG3 H 6.393 4.482 -1.397 1.00 . A A . 12 LYS HG3 1 1 7 1520 1 1 12 LYS HZ1 H 4.774 7.452 -2.320 1.00 . A A . 12 LYS HZ1 1 1 7 1521 1 1 12 LYS HZ2 H 5.859 6.297 -2.912 1.00 . A A . 12 LYS HZ2 1 1 7 1522 1 1 12 LYS HZ3 H 5.783 6.611 -1.252 1.00 . A A . 12 LYS HZ3 1 1 7 1523 1 1 12 LYS N N 6.888 0.919 -1.670 1.00 . A A . 12 LYS N 1 1 7 1524 1 1 12 LYS NZ N 5.222 6.534 -2.124 1.00 . A A . 12 LYS NZ 1 1 7 1525 1 1 12 LYS O O 9.721 1.819 -0.995 1.00 . A A . 12 LYS O 1 1 7 1526 1 1 13 NH2 N N 8.488 3.681 -0.835 1.00 . A A . 13 NH2 N 1 1 8 1527 1 1 1 SER C C 5.526 2.019 3.153 1.00 . A A . 1 SER C 1 1 8 1528 1 1 1 SER CA C 6.488 2.675 4.138 1.00 . A A . 1 SER CA 1 1 8 1529 1 1 1 SER CB C 5.799 3.838 4.853 1.00 . A A . 1 SER CB 1 1 8 1530 1 1 1 SER H1 H 8.272 2.378 3.156 1.00 . A A . 1 SER H1 1 1 8 1531 1 1 1 SER H2 H 8.211 3.800 4.115 1.00 . A A . 1 SER H2 1 1 8 1532 1 1 1 SER H3 H 7.378 3.737 2.616 1.00 . A A . 1 SER H3 1 1 8 1533 1 1 1 SER HA H 6.800 1.943 4.868 1.00 . A A . 1 SER HA 1 1 8 1534 1 1 1 SER HB2 H 6.528 4.384 5.433 1.00 . A A . 1 SER HB2 1 1 8 1535 1 1 1 SER HB3 H 5.356 4.497 4.120 1.00 . A A . 1 SER HB3 1 1 8 1536 1 1 1 SER HG H 5.182 2.954 6.488 1.00 . A A . 1 SER HG 1 1 8 1537 1 1 1 SER N N 7.696 3.194 3.444 1.00 . A A . 1 SER N 1 1 8 1538 1 1 1 SER O O 5.857 1.824 1.983 1.00 . A A . 1 SER O 1 1 8 1539 1 1 1 SER OG O 4.782 3.373 5.723 1.00 . A A . 1 SER OG 1 1 8 1540 1 1 2 TRP C C 2.180 2.010 2.504 1.00 . A A . 2 TRP C 1 1 8 1541 1 1 2 TRP CA C 3.324 1.046 2.796 1.00 . A A . 2 TRP CA 1 1 8 1542 1 1 2 TRP CB C 2.801 -0.225 3.471 1.00 . A A . 2 TRP CB 1 1 8 1543 1 1 2 TRP CD1 C 4.603 -2.030 3.721 1.00 . A A . 2 TRP CD1 1 1 8 1544 1 1 2 TRP CD2 C 3.367 -2.212 1.864 1.00 . A A . 2 TRP CD2 1 1 8 1545 1 1 2 TRP CE2 C 4.321 -3.246 1.868 1.00 . A A . 2 TRP CE2 1 1 8 1546 1 1 2 TRP CE3 C 2.474 -2.126 0.792 1.00 . A A . 2 TRP CE3 1 1 8 1547 1 1 2 TRP CG C 3.565 -1.444 3.056 1.00 . A A . 2 TRP CG 1 1 8 1548 1 1 2 TRP CH2 C 3.523 -4.067 -0.198 1.00 . A A . 2 TRP CH2 1 1 8 1549 1 1 2 TRP CZ2 C 4.409 -4.182 0.839 1.00 . A A . 2 TRP CZ2 1 1 8 1550 1 1 2 TRP CZ3 C 2.561 -3.050 -0.222 1.00 . A A . 2 TRP CZ3 1 1 8 1551 1 1 2 TRP H H 4.130 1.862 4.575 1.00 . A A . 2 TRP H 1 1 8 1552 1 1 2 TRP HA H 3.794 0.776 1.862 1.00 . A A . 2 TRP HA 1 1 8 1553 1 1 2 TRP HB2 H 2.884 -0.119 4.544 1.00 . A A . 2 TRP HB2 1 1 8 1554 1 1 2 TRP HB3 H 1.768 -0.368 3.208 1.00 . A A . 2 TRP HB3 1 1 8 1555 1 1 2 TRP HD1 H 4.996 -1.681 4.664 1.00 . A A . 2 TRP HD1 1 1 8 1556 1 1 2 TRP HE1 H 5.805 -3.697 3.282 1.00 . A A . 2 TRP HE1 1 1 8 1557 1 1 2 TRP HE3 H 1.710 -1.366 0.754 1.00 . A A . 2 TRP HE3 1 1 8 1558 1 1 2 TRP HH2 H 3.554 -4.770 -1.018 1.00 . A A . 2 TRP HH2 1 1 8 1559 1 1 2 TRP HZ2 H 5.146 -4.971 0.846 1.00 . A A . 2 TRP HZ2 1 1 8 1560 1 1 2 TRP HZ3 H 1.880 -2.983 -1.057 1.00 . A A . 2 TRP HZ3 1 1 8 1561 1 1 2 TRP N N 4.335 1.680 3.634 1.00 . A A . 2 TRP N 1 1 8 1562 1 1 2 TRP NE1 N 5.065 -3.114 3.012 1.00 . A A . 2 TRP NE1 1 1 8 1563 1 1 2 TRP O O 1.890 2.898 3.306 1.00 . A A . 2 TRP O 1 1 8 1564 1 1 3 THR C C -0.880 1.937 0.871 1.00 . A A . 3 THR C 1 1 8 1565 1 1 3 THR CA C 0.425 2.716 0.975 1.00 . A A . 3 THR CA 1 1 8 1566 1 1 3 THR CB C 0.726 3.409 -0.356 1.00 . A A . 3 THR CB 1 1 8 1567 1 1 3 THR CG2 C 0.343 4.873 -0.367 1.00 . A A . 3 THR CG2 1 1 8 1568 1 1 3 THR H H 1.806 1.114 0.744 1.00 . A A . 3 THR H 1 1 8 1569 1 1 3 THR HA H 0.321 3.466 1.745 1.00 . A A . 3 THR HA 1 1 8 1570 1 1 3 THR HB H 0.171 2.917 -1.141 1.00 . A A . 3 THR HB 1 1 8 1571 1 1 3 THR HG1 H 2.308 2.444 -0.991 1.00 . A A . 3 THR HG1 1 1 8 1572 1 1 3 THR HG21 H 0.332 5.250 0.645 1.00 . A A . 3 THR HG21 1 1 8 1573 1 1 3 THR HG22 H -0.638 4.985 -0.804 1.00 . A A . 3 THR HG22 1 1 8 1574 1 1 3 THR HG23 H 1.063 5.429 -0.950 1.00 . A A . 3 THR HG23 1 1 8 1575 1 1 3 THR N N 1.533 1.840 1.352 1.00 . A A . 3 THR N 1 1 8 1576 1 1 3 THR O O -0.996 1.002 0.082 1.00 . A A . 3 THR O 1 1 8 1577 1 1 3 THR OG1 O 2.106 3.325 -0.666 1.00 . A A . 3 THR OG1 1 1 8 1578 1 1 4 TRP C C -4.139 2.421 0.775 1.00 . A A . 4 TRP C 1 1 8 1579 1 1 4 TRP CA C -3.161 1.674 1.678 1.00 . A A . 4 TRP CA 1 1 8 1580 1 1 4 TRP CB C -3.702 1.623 3.109 1.00 . A A . 4 TRP CB 1 1 8 1581 1 1 4 TRP CD1 C -5.948 0.854 3.999 1.00 . A A . 4 TRP CD1 1 1 8 1582 1 1 4 TRP CD2 C -4.820 -0.706 2.892 1.00 . A A . 4 TRP CD2 1 1 8 1583 1 1 4 TRP CE2 C -6.035 -1.265 3.316 1.00 . A A . 4 TRP CE2 1 1 8 1584 1 1 4 TRP CE3 C -3.928 -1.481 2.179 1.00 . A A . 4 TRP CE3 1 1 8 1585 1 1 4 TRP CG C -4.795 0.641 3.326 1.00 . A A . 4 TRP CG 1 1 8 1586 1 1 4 TRP CH2 C -5.477 -3.336 2.332 1.00 . A A . 4 TRP CH2 1 1 8 1587 1 1 4 TRP CZ2 C -6.377 -2.585 3.042 1.00 . A A . 4 TRP CZ2 1 1 8 1588 1 1 4 TRP CZ3 C -4.257 -2.794 1.902 1.00 . A A . 4 TRP CZ3 1 1 8 1589 1 1 4 TRP H H -1.705 3.087 2.278 1.00 . A A . 4 TRP H 1 1 8 1590 1 1 4 TRP HA H -3.033 0.671 1.307 1.00 . A A . 4 TRP HA 1 1 8 1591 1 1 4 TRP HB2 H -2.913 1.377 3.789 1.00 . A A . 4 TRP HB2 1 1 8 1592 1 1 4 TRP HB3 H -4.078 2.581 3.355 1.00 . A A . 4 TRP HB3 1 1 8 1593 1 1 4 TRP HD1 H -6.203 1.792 4.457 1.00 . A A . 4 TRP HD1 1 1 8 1594 1 1 4 TRP HE1 H -7.598 -0.385 4.409 1.00 . A A . 4 TRP HE1 1 1 8 1595 1 1 4 TRP HE3 H -2.991 -1.063 1.851 1.00 . A A . 4 TRP HE3 1 1 8 1596 1 1 4 TRP HH2 H -5.697 -4.367 2.097 1.00 . A A . 4 TRP HH2 1 1 8 1597 1 1 4 TRP HZ2 H -7.314 -3.011 3.364 1.00 . A A . 4 TRP HZ2 1 1 8 1598 1 1 4 TRP HZ3 H -3.572 -3.416 1.345 1.00 . A A . 4 TRP HZ3 1 1 8 1599 1 1 4 TRP N N -1.860 2.332 1.672 1.00 . A A . 4 TRP N 1 1 8 1600 1 1 4 TRP NE1 N -6.715 -0.288 3.995 1.00 . A A . 4 TRP NE1 1 1 8 1601 1 1 4 TRP O O -4.388 3.611 0.969 1.00 . A A . 4 TRP O 1 1 8 1602 1 1 5 GLU C C -6.773 1.402 -1.502 1.00 . A A . 5 GLU C 1 1 8 1603 1 1 5 GLU CA C -5.620 2.341 -1.152 1.00 . A A . 5 GLU CA 1 1 8 1604 1 1 5 GLU CB C -4.892 2.765 -2.428 1.00 . A A . 5 GLU CB 1 1 8 1605 1 1 5 GLU CD C -6.243 3.893 -4.241 1.00 . A A . 5 GLU CD 1 1 8 1606 1 1 5 GLU CG C -5.388 4.082 -3.003 1.00 . A A . 5 GLU CG 1 1 8 1607 1 1 5 GLU H H -4.442 0.782 -0.333 1.00 . A A . 5 GLU H 1 1 8 1608 1 1 5 GLU HA H -6.025 3.221 -0.675 1.00 . A A . 5 GLU HA 1 1 8 1609 1 1 5 GLU HB2 H -3.839 2.866 -2.211 1.00 . A A . 5 GLU HB2 1 1 8 1610 1 1 5 GLU HB3 H -5.024 1.998 -3.177 1.00 . A A . 5 GLU HB3 1 1 8 1611 1 1 5 GLU HG2 H -5.976 4.588 -2.252 1.00 . A A . 5 GLU HG2 1 1 8 1612 1 1 5 GLU HG3 H -4.535 4.691 -3.262 1.00 . A A . 5 GLU HG3 1 1 8 1613 1 1 5 GLU N N -4.682 1.725 -0.220 1.00 . A A . 5 GLU N 1 1 8 1614 1 1 5 GLU O O -6.577 0.373 -2.149 1.00 . A A . 5 GLU O 1 1 8 1615 1 1 5 GLU OE1 O -7.215 3.112 -4.178 1.00 . A A . 5 GLU OE1 1 1 8 1616 1 1 5 GLU OE2 O -5.940 4.528 -5.273 1.00 . A A . 5 GLU OE2 1 1 8 1617 1 1 6 ASN C C -8.990 -0.490 -1.075 1.00 . A A . 6 ASN C 1 1 8 1618 1 1 6 ASN CA C -9.181 1.000 -1.367 1.00 . A A . 6 ASN CA 1 1 8 1619 1 1 6 ASN CB C -9.602 1.194 -2.825 1.00 . A A . 6 ASN CB 1 1 8 1620 1 1 6 ASN CG C -11.089 1.455 -2.961 1.00 . A A . 6 ASN CG 1 1 8 1621 1 1 6 ASN H H -8.064 2.621 -0.590 1.00 . A A . 6 ASN H 1 1 8 1622 1 1 6 ASN HA H -9.968 1.375 -0.730 1.00 . A A . 6 ASN HA 1 1 8 1623 1 1 6 ASN HB2 H -9.068 2.039 -3.238 1.00 . A A . 6 ASN HB2 1 1 8 1624 1 1 6 ASN HB3 H -9.357 0.303 -3.389 1.00 . A A . 6 ASN HB3 1 1 8 1625 1 1 6 ASN HD21 H -10.998 2.840 -1.538 1.00 . A A . 6 ASN HD21 1 1 8 1626 1 1 6 ASN HD22 H -12.559 2.569 -2.223 1.00 . A A . 6 ASN HD22 1 1 8 1627 1 1 6 ASN N N -7.977 1.781 -1.087 1.00 . A A . 6 ASN N 1 1 8 1628 1 1 6 ASN ND2 N -11.600 2.383 -2.161 1.00 . A A . 6 ASN ND2 1 1 8 1629 1 1 6 ASN O O -9.379 -1.340 -1.876 1.00 . A A . 6 ASN O 1 1 8 1630 1 1 6 ASN OD1 O -11.769 0.831 -3.776 1.00 . A A . 6 ASN OD1 1 1 8 1631 1 1 7 GLY C C -6.988 -2.817 -0.207 1.00 . A A . 7 GLY C 1 1 8 1632 1 1 7 GLY CA C -8.210 -2.194 0.444 1.00 . A A . 7 GLY CA 1 1 8 1633 1 1 7 GLY H H -8.130 -0.093 0.692 1.00 . A A . 7 GLY H 1 1 8 1634 1 1 7 GLY HA2 H -8.104 -2.257 1.516 1.00 . A A . 7 GLY HA2 1 1 8 1635 1 1 7 GLY HA3 H -9.086 -2.757 0.146 1.00 . A A . 7 GLY HA3 1 1 8 1636 1 1 7 GLY N N -8.411 -0.805 0.079 1.00 . A A . 7 GLY N 1 1 8 1637 1 1 7 GLY O O -6.881 -4.041 -0.281 1.00 . A A . 7 GLY O 1 1 8 1638 1 1 8 LYS C C -3.607 -1.775 -0.823 1.00 . A A . 8 LYS C 1 1 8 1639 1 1 8 LYS CA C -4.856 -2.494 -1.328 1.00 . A A . 8 LYS CA 1 1 8 1640 1 1 8 LYS CB C -4.964 -2.340 -2.846 1.00 . A A . 8 LYS CB 1 1 8 1641 1 1 8 LYS CD C -4.085 -4.259 -4.213 1.00 . A A . 8 LYS CD 1 1 8 1642 1 1 8 LYS CE C -4.453 -5.279 -3.148 1.00 . A A . 8 LYS CE 1 1 8 1643 1 1 8 LYS CG C -3.770 -2.903 -3.601 1.00 . A A . 8 LYS CG 1 1 8 1644 1 1 8 LYS H H -6.196 -1.019 -0.601 1.00 . A A . 8 LYS H 1 1 8 1645 1 1 8 LYS HA H -4.771 -3.543 -1.089 1.00 . A A . 8 LYS HA 1 1 8 1646 1 1 8 LYS HB2 H -5.852 -2.852 -3.186 1.00 . A A . 8 LYS HB2 1 1 8 1647 1 1 8 LYS HB3 H -5.051 -1.291 -3.085 1.00 . A A . 8 LYS HB3 1 1 8 1648 1 1 8 LYS HD2 H -4.914 -4.151 -4.895 1.00 . A A . 8 LYS HD2 1 1 8 1649 1 1 8 LYS HD3 H -3.216 -4.610 -4.751 1.00 . A A . 8 LYS HD3 1 1 8 1650 1 1 8 LYS HE2 H -5.227 -4.863 -2.521 1.00 . A A . 8 LYS HE2 1 1 8 1651 1 1 8 LYS HE3 H -4.824 -6.169 -3.634 1.00 . A A . 8 LYS HE3 1 1 8 1652 1 1 8 LYS HG2 H -3.500 -2.218 -4.390 1.00 . A A . 8 LYS HG2 1 1 8 1653 1 1 8 LYS HG3 H -2.942 -3.011 -2.916 1.00 . A A . 8 LYS HG3 1 1 8 1654 1 1 8 LYS HZ1 H -3.589 -5.783 -1.314 1.00 . A A . 8 LYS HZ1 1 1 8 1655 1 1 8 LYS HZ2 H -2.574 -4.883 -2.323 1.00 . A A . 8 LYS HZ2 1 1 8 1656 1 1 8 LYS HZ3 H -2.849 -6.520 -2.645 1.00 . A A . 8 LYS HZ3 1 1 8 1657 1 1 8 LYS N N -6.064 -1.986 -0.683 1.00 . A A . 8 LYS N 1 1 8 1658 1 1 8 LYS NZ N -3.285 -5.642 -2.298 1.00 . A A . 8 LYS NZ 1 1 8 1659 1 1 8 LYS O O -3.614 -0.563 -0.617 1.00 . A A . 8 LYS O 1 1 8 1660 1 1 9 TRP C C -0.313 -1.728 -1.303 1.00 . A A . 9 TRP C 1 1 8 1661 1 1 9 TRP CA C -1.273 -1.991 -0.149 1.00 . A A . 9 TRP CA 1 1 8 1662 1 1 9 TRP CB C -0.638 -2.967 0.829 1.00 . A A . 9 TRP CB 1 1 8 1663 1 1 9 TRP CD1 C -1.627 -3.672 3.026 1.00 . A A . 9 TRP CD1 1 1 8 1664 1 1 9 TRP CD2 C -0.927 -1.568 2.993 1.00 . A A . 9 TRP CD2 1 1 8 1665 1 1 9 TRP CE2 C -1.442 -1.834 4.272 1.00 . A A . 9 TRP CE2 1 1 8 1666 1 1 9 TRP CE3 C -0.423 -0.307 2.714 1.00 . A A . 9 TRP CE3 1 1 8 1667 1 1 9 TRP CG C -1.058 -2.757 2.230 1.00 . A A . 9 TRP CG 1 1 8 1668 1 1 9 TRP CH2 C -0.955 0.366 4.971 1.00 . A A . 9 TRP CH2 1 1 8 1669 1 1 9 TRP CZ2 C -1.462 -0.870 5.276 1.00 . A A . 9 TRP CZ2 1 1 8 1670 1 1 9 TRP CZ3 C -0.440 0.649 3.702 1.00 . A A . 9 TRP CZ3 1 1 8 1671 1 1 9 TRP H H -2.598 -3.501 -0.805 1.00 . A A . 9 TRP H 1 1 8 1672 1 1 9 TRP HA H -1.475 -1.061 0.365 1.00 . A A . 9 TRP HA 1 1 8 1673 1 1 9 TRP HB2 H -0.899 -3.963 0.550 1.00 . A A . 9 TRP HB2 1 1 8 1674 1 1 9 TRP HB3 H 0.416 -2.876 0.798 1.00 . A A . 9 TRP HB3 1 1 8 1675 1 1 9 TRP HD1 H -1.846 -4.665 2.701 1.00 . A A . 9 TRP HD1 1 1 8 1676 1 1 9 TRP HE1 H -2.275 -3.610 5.028 1.00 . A A . 9 TRP HE1 1 1 8 1677 1 1 9 TRP HE3 H -0.017 -0.074 1.742 1.00 . A A . 9 TRP HE3 1 1 8 1678 1 1 9 TRP HH2 H -0.940 1.144 5.713 1.00 . A A . 9 TRP HH2 1 1 8 1679 1 1 9 TRP HZ2 H -1.856 -1.075 6.260 1.00 . A A . 9 TRP HZ2 1 1 8 1680 1 1 9 TRP HZ3 H -0.058 1.634 3.497 1.00 . A A . 9 TRP HZ3 1 1 8 1681 1 1 9 TRP N N -2.537 -2.538 -0.627 1.00 . A A . 9 TRP N 1 1 8 1682 1 1 9 TRP NE1 N -1.868 -3.138 4.271 1.00 . A A . 9 TRP NE1 1 1 8 1683 1 1 9 TRP O O -0.240 -2.506 -2.254 1.00 . A A . 9 TRP O 1 1 8 1684 1 1 10 THR C C 2.760 -0.003 -1.607 1.00 . A A . 10 THR C 1 1 8 1685 1 1 10 THR CA C 1.397 -0.271 -2.233 1.00 . A A . 10 THR CA 1 1 8 1686 1 1 10 THR CB C 0.921 0.958 -3.012 1.00 . A A . 10 THR CB 1 1 8 1687 1 1 10 THR CG2 C 0.909 0.741 -4.509 1.00 . A A . 10 THR CG2 1 1 8 1688 1 1 10 THR H H 0.332 -0.057 -0.419 1.00 . A A . 10 THR H 1 1 8 1689 1 1 10 THR HA H 1.485 -1.106 -2.913 1.00 . A A . 10 THR HA 1 1 8 1690 1 1 10 THR HB H 1.583 1.786 -2.803 1.00 . A A . 10 THR HB 1 1 8 1691 1 1 10 THR HG1 H -0.645 2.133 -3.076 1.00 . A A . 10 THR HG1 1 1 8 1692 1 1 10 THR HG21 H 1.132 -0.295 -4.723 1.00 . A A . 10 THR HG21 1 1 8 1693 1 1 10 THR HG22 H 1.655 1.372 -4.970 1.00 . A A . 10 THR HG22 1 1 8 1694 1 1 10 THR HG23 H -0.066 0.988 -4.901 1.00 . A A . 10 THR HG23 1 1 8 1695 1 1 10 THR N N 0.430 -0.633 -1.206 1.00 . A A . 10 THR N 1 1 8 1696 1 1 10 THR O O 2.889 0.832 -0.712 1.00 . A A . 10 THR O 1 1 8 1697 1 1 10 THR OG1 O -0.390 1.327 -2.621 1.00 . A A . 10 THR OG1 1 1 8 1698 1 1 11 TRP C C 5.894 0.499 -2.335 1.00 . A A . 11 TRP C 1 1 8 1699 1 1 11 TRP CA C 5.123 -0.560 -1.554 1.00 . A A . 11 TRP CA 1 1 8 1700 1 1 11 TRP CB C 5.871 -1.893 -1.600 1.00 . A A . 11 TRP CB 1 1 8 1701 1 1 11 TRP CD1 C 8.415 -2.094 -1.846 1.00 . A A . 11 TRP CD1 1 1 8 1702 1 1 11 TRP CD2 C 7.738 -1.359 0.157 1.00 . A A . 11 TRP CD2 1 1 8 1703 1 1 11 TRP CE2 C 9.145 -1.424 0.155 1.00 . A A . 11 TRP CE2 1 1 8 1704 1 1 11 TRP CE3 C 7.086 -0.921 1.313 1.00 . A A . 11 TRP CE3 1 1 8 1705 1 1 11 TRP CG C 7.291 -1.793 -1.131 1.00 . A A . 11 TRP CG 1 1 8 1706 1 1 11 TRP CH2 C 9.243 -0.642 2.381 1.00 . A A . 11 TRP CH2 1 1 8 1707 1 1 11 TRP CZ2 C 9.908 -1.067 1.264 1.00 . A A . 11 TRP CZ2 1 1 8 1708 1 1 11 TRP CZ3 C 7.844 -0.567 2.412 1.00 . A A . 11 TRP CZ3 1 1 8 1709 1 1 11 TRP H H 3.609 -1.374 -2.788 1.00 . A A . 11 TRP H 1 1 8 1710 1 1 11 TRP HA H 5.041 -0.242 -0.526 1.00 . A A . 11 TRP HA 1 1 8 1711 1 1 11 TRP HB2 H 5.360 -2.604 -0.969 1.00 . A A . 11 TRP HB2 1 1 8 1712 1 1 11 TRP HB3 H 5.879 -2.259 -2.617 1.00 . A A . 11 TRP HB3 1 1 8 1713 1 1 11 TRP HD1 H 8.410 -2.451 -2.865 1.00 . A A . 11 TRP HD1 1 1 8 1714 1 1 11 TRP HE1 H 10.459 -2.019 -1.368 1.00 . A A . 11 TRP HE1 1 1 8 1715 1 1 11 TRP HE3 H 6.009 -0.857 1.356 1.00 . A A . 11 TRP HE3 1 1 8 1716 1 1 11 TRP HH2 H 9.795 -0.355 3.264 1.00 . A A . 11 TRP HH2 1 1 8 1717 1 1 11 TRP HZ2 H 10.987 -1.118 1.256 1.00 . A A . 11 TRP HZ2 1 1 8 1718 1 1 11 TRP HZ3 H 7.357 -0.227 3.313 1.00 . A A . 11 TRP HZ3 1 1 8 1719 1 1 11 TRP N N 3.773 -0.719 -2.077 1.00 . A A . 11 TRP N 1 1 8 1720 1 1 11 TRP NE1 N 9.534 -1.876 -1.079 1.00 . A A . 11 TRP NE1 1 1 8 1721 1 1 11 TRP O O 5.625 0.736 -3.513 1.00 . A A . 11 TRP O 1 1 8 1722 1 1 12 LYS C C 8.781 2.624 -1.363 1.00 . A A . 12 LYS C 1 1 8 1723 1 1 12 LYS CA C 7.667 2.165 -2.299 1.00 . A A . 12 LYS CA 1 1 8 1724 1 1 12 LYS CB C 6.794 3.355 -2.702 1.00 . A A . 12 LYS CB 1 1 8 1725 1 1 12 LYS CD C 5.200 4.085 -4.505 1.00 . A A . 12 LYS CD 1 1 8 1726 1 1 12 LYS CE C 5.300 5.089 -5.642 1.00 . A A . 12 LYS CE 1 1 8 1727 1 1 12 LYS CG C 6.549 3.451 -4.199 1.00 . A A . 12 LYS CG 1 1 8 1728 1 1 12 LYS H H 7.021 0.897 -0.732 1.00 . A A . 12 LYS H 1 1 8 1729 1 1 12 LYS HA H 8.112 1.739 -3.186 1.00 . A A . 12 LYS HA 1 1 8 1730 1 1 12 LYS HB2 H 5.837 3.268 -2.208 1.00 . A A . 12 LYS HB2 1 1 8 1731 1 1 12 LYS HB3 H 7.274 4.268 -2.379 1.00 . A A . 12 LYS HB3 1 1 8 1732 1 1 12 LYS HD2 H 4.504 3.308 -4.784 1.00 . A A . 12 LYS HD2 1 1 8 1733 1 1 12 LYS HD3 H 4.842 4.590 -3.620 1.00 . A A . 12 LYS HD3 1 1 8 1734 1 1 12 LYS HE2 H 5.326 6.085 -5.224 1.00 . A A . 12 LYS HE2 1 1 8 1735 1 1 12 LYS HE3 H 6.212 4.905 -6.190 1.00 . A A . 12 LYS HE3 1 1 8 1736 1 1 12 LYS HG2 H 7.327 4.053 -4.644 1.00 . A A . 12 LYS HG2 1 1 8 1737 1 1 12 LYS HG3 H 6.574 2.457 -4.622 1.00 . A A . 12 LYS HG3 1 1 8 1738 1 1 12 LYS HZ1 H 3.261 5.221 -6.079 1.00 . A A . 12 LYS HZ1 1 1 8 1739 1 1 12 LYS HZ2 H 4.072 4.020 -6.951 1.00 . A A . 12 LYS HZ2 1 1 8 1740 1 1 12 LYS HZ3 H 4.268 5.647 -7.370 1.00 . A A . 12 LYS HZ3 1 1 8 1741 1 1 12 LYS N N 6.854 1.132 -1.669 1.00 . A A . 12 LYS N 1 1 8 1742 1 1 12 LYS NZ N 4.144 4.987 -6.576 1.00 . A A . 12 LYS NZ 1 1 8 1743 1 1 12 LYS O O 9.702 3.329 -1.777 1.00 . A A . 12 LYS O 1 1 8 1744 1 1 13 NH2 N N 8.771 2.133 -0.130 1.00 . A A . 13 NH2 N 1 1 9 1745 1 1 1 SER C C 5.548 2.039 3.247 1.00 . A A . 1 SER C 1 1 9 1746 1 1 1 SER CA C 6.488 2.683 4.260 1.00 . A A . 1 SER CA 1 1 9 1747 1 1 1 SER CB C 5.860 3.958 4.827 1.00 . A A . 1 SER CB 1 1 9 1748 1 1 1 SER H1 H 8.413 3.401 4.384 1.00 . A A . 1 SER H1 1 1 9 1749 1 1 1 SER H2 H 7.609 3.759 2.910 1.00 . A A . 1 SER H2 1 1 9 1750 1 1 1 SER H3 H 8.184 2.170 3.213 1.00 . A A . 1 SER H3 1 1 9 1751 1 1 1 SER HA H 6.670 1.987 5.065 1.00 . A A . 1 SER HA 1 1 9 1752 1 1 1 SER HB2 H 4.790 3.832 4.890 1.00 . A A . 1 SER HB2 1 1 9 1753 1 1 1 SER HB3 H 6.259 4.145 5.813 1.00 . A A . 1 SER HB3 1 1 9 1754 1 1 1 SER HG H 6.995 5.442 4.237 1.00 . A A . 1 SER HG 1 1 9 1755 1 1 1 SER N N 7.791 3.035 3.636 1.00 . A A . 1 SER N 1 1 9 1756 1 1 1 SER O O 5.905 1.856 2.083 1.00 . A A . 1 SER O 1 1 9 1757 1 1 1 SER OG O 6.140 5.076 4.002 1.00 . A A . 1 SER OG 1 1 9 1758 1 1 2 TRP C C 2.217 2.039 2.523 1.00 . A A . 2 TRP C 1 1 9 1759 1 1 2 TRP CA C 3.354 1.072 2.829 1.00 . A A . 2 TRP CA 1 1 9 1760 1 1 2 TRP CB C 2.814 -0.205 3.478 1.00 . A A . 2 TRP CB 1 1 9 1761 1 1 2 TRP CD1 C 4.636 -1.992 3.721 1.00 . A A . 2 TRP CD1 1 1 9 1762 1 1 2 TRP CD2 C 3.381 -2.198 1.879 1.00 . A A . 2 TRP CD2 1 1 9 1763 1 1 2 TRP CE2 C 4.345 -3.223 1.880 1.00 . A A . 2 TRP CE2 1 1 9 1764 1 1 2 TRP CE3 C 2.476 -2.129 0.817 1.00 . A A . 2 TRP CE3 1 1 9 1765 1 1 2 TRP CG C 3.585 -1.420 3.063 1.00 . A A . 2 TRP CG 1 1 9 1766 1 1 2 TRP CH2 C 3.532 -4.067 -0.171 1.00 . A A . 2 TRP CH2 1 1 9 1767 1 1 2 TRP CZ2 C 4.430 -4.165 0.857 1.00 . A A . 2 TRP CZ2 1 1 9 1768 1 1 2 TRP CZ3 C 2.560 -3.059 -0.192 1.00 . A A . 2 TRP CZ3 1 1 9 1769 1 1 2 TRP H H 4.120 1.867 4.635 1.00 . A A . 2 TRP H 1 1 9 1770 1 1 2 TRP HA H 3.845 0.812 1.903 1.00 . A A . 2 TRP HA 1 1 9 1771 1 1 2 TRP HB2 H 2.875 -0.114 4.553 1.00 . A A . 2 TRP HB2 1 1 9 1772 1 1 2 TRP HB3 H 1.786 -0.344 3.192 1.00 . A A . 2 TRP HB3 1 1 9 1773 1 1 2 TRP HD1 H 5.035 -1.632 4.657 1.00 . A A . 2 TRP HD1 1 1 9 1774 1 1 2 TRP HE1 H 5.849 -3.649 3.281 1.00 . A A . 2 TRP HE1 1 1 9 1775 1 1 2 TRP HE3 H 1.704 -1.376 0.781 1.00 . A A . 2 TRP HE3 1 1 9 1776 1 1 2 TRP HH2 H 3.561 -4.775 -0.986 1.00 . A A . 2 TRP HH2 1 1 9 1777 1 1 2 TRP HZ2 H 5.175 -4.948 0.861 1.00 . A A . 2 TRP HZ2 1 1 9 1778 1 1 2 TRP HZ3 H 1.870 -3.003 -1.020 1.00 . A A . 2 TRP HZ3 1 1 9 1779 1 1 2 TRP N N 4.345 1.696 3.697 1.00 . A A . 2 TRP N 1 1 9 1780 1 1 2 TRP NE1 N 5.100 -3.076 3.015 1.00 . A A . 2 TRP NE1 1 1 9 1781 1 1 2 TRP O O 1.941 2.949 3.304 1.00 . A A . 2 TRP O 1 1 9 1782 1 1 3 THR C C -0.849 1.945 0.881 1.00 . A A . 3 THR C 1 1 9 1783 1 1 3 THR CA C 0.456 2.723 0.993 1.00 . A A . 3 THR CA 1 1 9 1784 1 1 3 THR CB C 0.769 3.413 -0.336 1.00 . A A . 3 THR CB 1 1 9 1785 1 1 3 THR CG2 C 0.263 4.838 -0.403 1.00 . A A . 3 THR CG2 1 1 9 1786 1 1 3 THR H H 1.819 1.102 0.788 1.00 . A A . 3 THR H 1 1 9 1787 1 1 3 THR HA H 0.346 3.475 1.760 1.00 . A A . 3 THR HA 1 1 9 1788 1 1 3 THR HB H 0.302 2.858 -1.137 1.00 . A A . 3 THR HB 1 1 9 1789 1 1 3 THR HG1 H 2.457 2.577 -0.870 1.00 . A A . 3 THR HG1 1 1 9 1790 1 1 3 THR HG21 H -0.766 4.840 -0.731 1.00 . A A . 3 THR HG21 1 1 9 1791 1 1 3 THR HG22 H 0.864 5.400 -1.102 1.00 . A A . 3 THR HG22 1 1 9 1792 1 1 3 THR HG23 H 0.331 5.290 0.575 1.00 . A A . 3 THR HG23 1 1 9 1793 1 1 3 THR N N 1.558 1.846 1.380 1.00 . A A . 3 THR N 1 1 9 1794 1 1 3 THR O O -0.960 1.007 0.095 1.00 . A A . 3 THR O 1 1 9 1795 1 1 3 THR OG1 O 2.165 3.441 -0.570 1.00 . A A . 3 THR OG1 1 1 9 1796 1 1 4 TRP C C -4.103 2.431 0.755 1.00 . A A . 4 TRP C 1 1 9 1797 1 1 4 TRP CA C -3.136 1.691 1.675 1.00 . A A . 4 TRP CA 1 1 9 1798 1 1 4 TRP CB C -3.689 1.658 3.102 1.00 . A A . 4 TRP CB 1 1 9 1799 1 1 4 TRP CD1 C -5.949 0.917 3.978 1.00 . A A . 4 TRP CD1 1 1 9 1800 1 1 4 TRP CD2 C -4.822 -0.664 2.900 1.00 . A A . 4 TRP CD2 1 1 9 1801 1 1 4 TRP CE2 C -6.045 -1.209 3.318 1.00 . A A . 4 TRP CE2 1 1 9 1802 1 1 4 TRP CE3 C -3.929 -1.452 2.204 1.00 . A A . 4 TRP CE3 1 1 9 1803 1 1 4 TRP CG C -4.791 0.687 3.319 1.00 . A A . 4 TRP CG 1 1 9 1804 1 1 4 TRP CH2 C -5.492 -3.295 2.363 1.00 . A A . 4 TRP CH2 1 1 9 1805 1 1 4 TRP CZ2 C -6.393 -2.530 3.055 1.00 . A A . 4 TRP CZ2 1 1 9 1806 1 1 4 TRP CZ3 C -4.264 -2.767 1.939 1.00 . A A . 4 TRP CZ3 1 1 9 1807 1 1 4 TRP H H -1.681 3.102 2.278 1.00 . A A . 4 TRP H 1 1 9 1808 1 1 4 TRP HA H -3.007 0.683 1.317 1.00 . A A . 4 TRP HA 1 1 9 1809 1 1 4 TRP HB2 H -2.907 1.411 3.790 1.00 . A A . 4 TRP HB2 1 1 9 1810 1 1 4 TRP HB3 H -4.057 2.621 3.336 1.00 . A A . 4 TRP HB3 1 1 9 1811 1 1 4 TRP HD1 H -6.201 1.861 4.423 1.00 . A A . 4 TRP HD1 1 1 9 1812 1 1 4 TRP HE1 H -7.612 -0.305 4.386 1.00 . A A . 4 TRP HE1 1 1 9 1813 1 1 4 TRP HE3 H -2.986 -1.045 1.881 1.00 . A A . 4 TRP HE3 1 1 9 1814 1 1 4 TRP HH2 H -5.717 -4.327 2.137 1.00 . A A . 4 TRP HH2 1 1 9 1815 1 1 4 TRP HZ2 H -7.337 -2.945 3.372 1.00 . A A . 4 TRP HZ2 1 1 9 1816 1 1 4 TRP HZ3 H -3.578 -3.399 1.396 1.00 . A A . 4 TRP HZ3 1 1 9 1817 1 1 4 TRP N N -1.834 2.346 1.674 1.00 . A A . 4 TRP N 1 1 9 1818 1 1 4 TRP NE1 N -6.725 -0.219 3.980 1.00 . A A . 4 TRP NE1 1 1 9 1819 1 1 4 TRP O O -4.352 3.623 0.935 1.00 . A A . 4 TRP O 1 1 9 1820 1 1 5 GLU C C -6.717 1.392 -1.536 1.00 . A A . 5 GLU C 1 1 9 1821 1 1 5 GLU CA C -5.566 2.332 -1.184 1.00 . A A . 5 GLU CA 1 1 9 1822 1 1 5 GLU CB C -4.826 2.742 -2.458 1.00 . A A . 5 GLU CB 1 1 9 1823 1 1 5 GLU CD C -5.174 5.244 -2.410 1.00 . A A . 5 GLU CD 1 1 9 1824 1 1 5 GLU CG C -5.435 3.948 -3.154 1.00 . A A . 5 GLU CG 1 1 9 1825 1 1 5 GLU H H -4.399 0.781 -0.338 1.00 . A A . 5 GLU H 1 1 9 1826 1 1 5 GLU HA H -5.974 3.218 -0.721 1.00 . A A . 5 GLU HA 1 1 9 1827 1 1 5 GLU HB2 H -3.802 2.978 -2.206 1.00 . A A . 5 GLU HB2 1 1 9 1828 1 1 5 GLU HB3 H -4.835 1.912 -3.149 1.00 . A A . 5 GLU HB3 1 1 9 1829 1 1 5 GLU HG2 H -5.011 4.029 -4.144 1.00 . A A . 5 GLU HG2 1 1 9 1830 1 1 5 GLU HG3 H -6.502 3.802 -3.231 1.00 . A A . 5 GLU HG3 1 1 9 1831 1 1 5 GLU N N -4.638 1.725 -0.237 1.00 . A A . 5 GLU N 1 1 9 1832 1 1 5 GLU O O -6.516 0.349 -2.157 1.00 . A A . 5 GLU O 1 1 9 1833 1 1 5 GLU OE1 O -5.673 5.386 -1.274 1.00 . A A . 5 GLU OE1 1 1 9 1834 1 1 5 GLU OE2 O -4.472 6.115 -2.964 1.00 . A A . 5 GLU OE2 1 1 9 1835 1 1 6 ASN C C -8.956 -0.476 -1.111 1.00 . A A . 6 ASN C 1 1 9 1836 1 1 6 ASN CA C -9.130 1.008 -1.439 1.00 . A A . 6 ASN CA 1 1 9 1837 1 1 6 ASN CB C -9.522 1.173 -2.908 1.00 . A A . 6 ASN CB 1 1 9 1838 1 1 6 ASN CG C -11.004 1.442 -3.079 1.00 . A A . 6 ASN CG 1 1 9 1839 1 1 6 ASN H H -8.018 2.639 -0.675 1.00 . A A . 6 ASN H 1 1 9 1840 1 1 6 ASN HA H -9.927 1.402 -0.826 1.00 . A A . 6 ASN HA 1 1 9 1841 1 1 6 ASN HB2 H -8.974 2.005 -3.330 1.00 . A A . 6 ASN HB2 1 1 9 1842 1 1 6 ASN HB3 H -9.273 0.268 -3.448 1.00 . A A . 6 ASN HB3 1 1 9 1843 1 1 6 ASN HD21 H -10.929 2.857 -1.684 1.00 . A A . 6 ASN HD21 1 1 9 1844 1 1 6 ASN HD22 H -12.479 2.583 -2.394 1.00 . A A . 6 ASN HD22 1 1 9 1845 1 1 6 ASN N N -7.928 1.787 -1.152 1.00 . A A . 6 ASN N 1 1 9 1846 1 1 6 ASN ND2 N -11.523 2.391 -2.309 1.00 . A A . 6 ASN ND2 1 1 9 1847 1 1 6 ASN O O -9.336 -1.341 -1.901 1.00 . A A . 6 ASN O 1 1 9 1848 1 1 6 ASN OD1 O -11.673 0.806 -3.893 1.00 . A A . 6 ASN OD1 1 1 9 1849 1 1 7 GLY C C -6.998 -2.804 -0.166 1.00 . A A . 7 GLY C 1 1 9 1850 1 1 7 GLY CA C -8.219 -2.152 0.459 1.00 . A A . 7 GLY CA 1 1 9 1851 1 1 7 GLY H H -8.128 -0.049 0.664 1.00 . A A . 7 GLY H 1 1 9 1852 1 1 7 GLY HA2 H -8.123 -2.192 1.534 1.00 . A A . 7 GLY HA2 1 1 9 1853 1 1 7 GLY HA3 H -9.098 -2.714 0.167 1.00 . A A . 7 GLY HA3 1 1 9 1854 1 1 7 GLY N N -8.402 -0.771 0.061 1.00 . A A . 7 GLY N 1 1 9 1855 1 1 7 GLY O O -6.897 -4.030 -0.196 1.00 . A A . 7 GLY O 1 1 9 1856 1 1 8 LYS C C -3.614 -1.799 -0.810 1.00 . A A . 8 LYS C 1 1 9 1857 1 1 8 LYS CA C -4.864 -2.531 -1.293 1.00 . A A . 8 LYS CA 1 1 9 1858 1 1 8 LYS CB C -4.979 -2.427 -2.815 1.00 . A A . 8 LYS CB 1 1 9 1859 1 1 8 LYS CD C -3.630 -4.563 -3.055 1.00 . A A . 8 LYS CD 1 1 9 1860 1 1 8 LYS CE C -4.922 -5.357 -2.903 1.00 . A A . 8 LYS CE 1 1 9 1861 1 1 8 LYS CG C -3.874 -3.148 -3.575 1.00 . A A . 8 LYS CG 1 1 9 1862 1 1 8 LYS H H -6.195 -1.026 -0.626 1.00 . A A . 8 LYS H 1 1 9 1863 1 1 8 LYS HA H -4.784 -3.571 -1.019 1.00 . A A . 8 LYS HA 1 1 9 1864 1 1 8 LYS HB2 H -5.926 -2.843 -3.121 1.00 . A A . 8 LYS HB2 1 1 9 1865 1 1 8 LYS HB3 H -4.951 -1.384 -3.092 1.00 . A A . 8 LYS HB3 1 1 9 1866 1 1 8 LYS HD2 H -2.988 -5.082 -3.751 1.00 . A A . 8 LYS HD2 1 1 9 1867 1 1 8 LYS HD3 H -3.142 -4.503 -2.096 1.00 . A A . 8 LYS HD3 1 1 9 1868 1 1 8 LYS HE2 H -5.751 -4.739 -3.209 1.00 . A A . 8 LYS HE2 1 1 9 1869 1 1 8 LYS HE3 H -4.869 -6.227 -3.541 1.00 . A A . 8 LYS HE3 1 1 9 1870 1 1 8 LYS HG2 H -4.150 -3.205 -4.616 1.00 . A A . 8 LYS HG2 1 1 9 1871 1 1 8 LYS HG3 H -2.961 -2.579 -3.477 1.00 . A A . 8 LYS HG3 1 1 9 1872 1 1 8 LYS HZ1 H -5.235 -6.836 -1.459 1.00 . A A . 8 LYS HZ1 1 1 9 1873 1 1 8 LYS HZ2 H -6.009 -5.372 -1.117 1.00 . A A . 8 LYS HZ2 1 1 9 1874 1 1 8 LYS HZ3 H -4.337 -5.515 -0.898 1.00 . A A . 8 LYS HZ3 1 1 9 1875 1 1 8 LYS N N -6.069 -1.996 -0.670 1.00 . A A . 8 LYS N 1 1 9 1876 1 1 8 LYS NZ N -5.141 -5.801 -1.496 1.00 . A A . 8 LYS NZ 1 1 9 1877 1 1 8 LYS O O -3.614 -0.581 -0.650 1.00 . A A . 8 LYS O 1 1 9 1878 1 1 9 TRP C C -0.327 -1.777 -1.281 1.00 . A A . 9 TRP C 1 1 9 1879 1 1 9 TRP CA C -1.283 -2.010 -0.117 1.00 . A A . 9 TRP CA 1 1 9 1880 1 1 9 TRP CB C -0.648 -2.973 0.874 1.00 . A A . 9 TRP CB 1 1 9 1881 1 1 9 TRP CD1 C -1.645 -3.651 3.078 1.00 . A A . 9 TRP CD1 1 1 9 1882 1 1 9 TRP CD2 C -0.931 -1.552 3.023 1.00 . A A . 9 TRP CD2 1 1 9 1883 1 1 9 TRP CE2 C -1.448 -1.800 4.304 1.00 . A A . 9 TRP CE2 1 1 9 1884 1 1 9 TRP CE3 C -0.417 -0.298 2.729 1.00 . A A . 9 TRP CE3 1 1 9 1885 1 1 9 TRP CG C -1.069 -2.748 2.272 1.00 . A A . 9 TRP CG 1 1 9 1886 1 1 9 TRP CH2 C -0.946 0.404 4.978 1.00 . A A . 9 TRP CH2 1 1 9 1887 1 1 9 TRP CZ2 C -1.461 -0.825 5.297 1.00 . A A . 9 TRP CZ2 1 1 9 1888 1 1 9 TRP CZ3 C -0.428 0.669 3.706 1.00 . A A . 9 TRP CZ3 1 1 9 1889 1 1 9 TRP H H -2.617 -3.526 -0.724 1.00 . A A . 9 TRP H 1 1 9 1890 1 1 9 TRP HA H -1.478 -1.069 0.380 1.00 . A A . 9 TRP HA 1 1 9 1891 1 1 9 TRP HB2 H -0.908 -3.973 0.608 1.00 . A A . 9 TRP HB2 1 1 9 1892 1 1 9 TRP HB3 H 0.406 -2.883 0.843 1.00 . A A . 9 TRP HB3 1 1 9 1893 1 1 9 TRP HD1 H -1.870 -4.647 2.765 1.00 . A A . 9 TRP HD1 1 1 9 1894 1 1 9 TRP HE1 H -2.293 -3.562 5.079 1.00 . A A . 9 TRP HE1 1 1 9 1895 1 1 9 TRP HE3 H -0.010 -0.079 1.756 1.00 . A A . 9 TRP HE3 1 1 9 1896 1 1 9 TRP HH2 H -0.925 1.190 5.712 1.00 . A A . 9 TRP HH2 1 1 9 1897 1 1 9 TRP HZ2 H -1.857 -1.016 6.284 1.00 . A A . 9 TRP HZ2 1 1 9 1898 1 1 9 TRP HZ3 H -0.040 1.649 3.489 1.00 . A A . 9 TRP HZ3 1 1 9 1899 1 1 9 TRP N N -2.549 -2.561 -0.582 1.00 . A A . 9 TRP N 1 1 9 1900 1 1 9 TRP NE1 N -1.883 -3.102 4.318 1.00 . A A . 9 TRP NE1 1 1 9 1901 1 1 9 TRP O O -0.246 -2.589 -2.203 1.00 . A A . 9 TRP O 1 1 9 1902 1 1 10 THR C C 2.725 -0.034 -1.655 1.00 . A A . 10 THR C 1 1 9 1903 1 1 10 THR CA C 1.364 -0.339 -2.268 1.00 . A A . 10 THR CA 1 1 9 1904 1 1 10 THR CB C 0.873 0.851 -3.094 1.00 . A A . 10 THR CB 1 1 9 1905 1 1 10 THR CG2 C 1.034 0.643 -4.583 1.00 . A A . 10 THR CG2 1 1 9 1906 1 1 10 THR H H 0.300 -0.068 -0.461 1.00 . A A . 10 THR H 1 1 9 1907 1 1 10 THR HA H 1.460 -1.199 -2.914 1.00 . A A . 10 THR HA 1 1 9 1908 1 1 10 THR HB H 1.440 1.729 -2.819 1.00 . A A . 10 THR HB 1 1 9 1909 1 1 10 THR HG1 H -0.623 1.302 -1.912 1.00 . A A . 10 THR HG1 1 1 9 1910 1 1 10 THR HG21 H 1.684 1.405 -4.986 1.00 . A A . 10 THR HG21 1 1 9 1911 1 1 10 THR HG22 H 0.068 0.703 -5.062 1.00 . A A . 10 THR HG22 1 1 9 1912 1 1 10 THR HG23 H 1.466 -0.331 -4.764 1.00 . A A . 10 THR HG23 1 1 9 1913 1 1 10 THR N N 0.403 -0.671 -1.226 1.00 . A A . 10 THR N 1 1 9 1914 1 1 10 THR O O 2.847 0.834 -0.791 1.00 . A A . 10 THR O 1 1 9 1915 1 1 10 THR OG1 O -0.498 1.109 -2.844 1.00 . A A . 10 THR OG1 1 1 9 1916 1 1 11 TRP C C 5.849 0.482 -2.390 1.00 . A A . 11 TRP C 1 1 9 1917 1 1 11 TRP CA C 5.094 -0.570 -1.586 1.00 . A A . 11 TRP CA 1 1 9 1918 1 1 11 TRP CB C 5.858 -1.894 -1.608 1.00 . A A . 11 TRP CB 1 1 9 1919 1 1 11 TRP CD1 C 8.407 -2.087 -1.789 1.00 . A A . 11 TRP CD1 1 1 9 1920 1 1 11 TRP CD2 C 7.679 -1.305 0.177 1.00 . A A . 11 TRP CD2 1 1 9 1921 1 1 11 TRP CE2 C 9.085 -1.361 0.210 1.00 . A A . 11 TRP CE2 1 1 9 1922 1 1 11 TRP CE3 C 6.996 -0.842 1.304 1.00 . A A . 11 TRP CE3 1 1 9 1923 1 1 11 TRP CG C 7.265 -1.775 -1.109 1.00 . A A . 11 TRP CG 1 1 9 1924 1 1 11 TRP CH2 C 9.124 -0.522 2.417 1.00 . A A . 11 TRP CH2 1 1 9 1925 1 1 11 TRP CZ2 C 9.819 -0.972 1.328 1.00 . A A . 11 TRP CZ2 1 1 9 1926 1 1 11 TRP CZ3 C 7.725 -0.455 2.411 1.00 . A A . 11 TRP CZ3 1 1 9 1927 1 1 11 TRP H H 3.584 -1.441 -2.785 1.00 . A A . 11 TRP H 1 1 9 1928 1 1 11 TRP HA H 5.011 -0.232 -0.564 1.00 . A A . 11 TRP HA 1 1 9 1929 1 1 11 TRP HB2 H 5.342 -2.607 -0.983 1.00 . A A . 11 TRP HB2 1 1 9 1930 1 1 11 TRP HB3 H 5.891 -2.267 -2.621 1.00 . A A . 11 TRP HB3 1 1 9 1931 1 1 11 TRP HD1 H 8.428 -2.471 -2.798 1.00 . A A . 11 TRP HD1 1 1 9 1932 1 1 11 TRP HE1 H 10.439 -1.988 -1.265 1.00 . A A . 11 TRP HE1 1 1 9 1933 1 1 11 TRP HE3 H 5.918 -0.783 1.319 1.00 . A A . 11 TRP HE3 1 1 9 1934 1 1 11 TRP HH2 H 9.653 -0.210 3.306 1.00 . A A . 11 TRP HH2 1 1 9 1935 1 1 11 TRP HZ2 H 10.898 -1.017 1.347 1.00 . A A . 11 TRP HZ2 1 1 9 1936 1 1 11 TRP HZ3 H 7.213 -0.095 3.290 1.00 . A A . 11 TRP HZ3 1 1 9 1937 1 1 11 TRP N N 3.744 -0.759 -2.100 1.00 . A A . 11 TRP N 1 1 9 1938 1 1 11 TRP NE1 N 9.506 -1.843 -1.002 1.00 . A A . 11 TRP NE1 1 1 9 1939 1 1 11 TRP O O 5.577 0.689 -3.573 1.00 . A A . 11 TRP O 1 1 9 1940 1 1 12 LYS C C 8.631 2.752 -1.425 1.00 . A A . 12 LYS C 1 1 9 1941 1 1 12 LYS CA C 7.605 2.169 -2.391 1.00 . A A . 12 LYS CA 1 1 9 1942 1 1 12 LYS CB C 6.705 3.284 -2.930 1.00 . A A . 12 LYS CB 1 1 9 1943 1 1 12 LYS CD C 4.384 4.178 -2.572 1.00 . A A . 12 LYS CD 1 1 9 1944 1 1 12 LYS CE C 4.570 5.285 -3.597 1.00 . A A . 12 LYS CE 1 1 9 1945 1 1 12 LYS CG C 5.701 3.801 -1.913 1.00 . A A . 12 LYS CG 1 1 9 1946 1 1 12 LYS H H 6.974 0.927 -0.796 1.00 . A A . 12 LYS H 1 1 9 1947 1 1 12 LYS HA H 8.126 1.708 -3.216 1.00 . A A . 12 LYS HA 1 1 9 1948 1 1 12 LYS HB2 H 7.325 4.111 -3.244 1.00 . A A . 12 LYS HB2 1 1 9 1949 1 1 12 LYS HB3 H 6.161 2.910 -3.784 1.00 . A A . 12 LYS HB3 1 1 9 1950 1 1 12 LYS HD2 H 3.978 3.308 -3.066 1.00 . A A . 12 LYS HD2 1 1 9 1951 1 1 12 LYS HD3 H 3.696 4.515 -1.811 1.00 . A A . 12 LYS HD3 1 1 9 1952 1 1 12 LYS HE2 H 5.607 5.310 -3.897 1.00 . A A . 12 LYS HE2 1 1 9 1953 1 1 12 LYS HE3 H 3.952 5.069 -4.457 1.00 . A A . 12 LYS HE3 1 1 9 1954 1 1 12 LYS HG2 H 5.517 3.031 -1.179 1.00 . A A . 12 LYS HG2 1 1 9 1955 1 1 12 LYS HG3 H 6.113 4.673 -1.427 1.00 . A A . 12 LYS HG3 1 1 9 1956 1 1 12 LYS HZ1 H 4.088 7.304 -3.825 1.00 . A A . 12 LYS HZ1 1 1 9 1957 1 1 12 LYS HZ2 H 4.926 6.957 -2.397 1.00 . A A . 12 LYS HZ2 1 1 9 1958 1 1 12 LYS HZ3 H 3.291 6.550 -2.537 1.00 . A A . 12 LYS HZ3 1 1 9 1959 1 1 12 LYS N N 6.803 1.140 -1.739 1.00 . A A . 12 LYS N 1 1 9 1960 1 1 12 LYS NZ N 4.192 6.617 -3.051 1.00 . A A . 12 LYS NZ 1 1 9 1961 1 1 12 LYS O O 9.473 3.562 -1.812 1.00 . A A . 12 LYS O 1 1 9 1962 1 1 13 NH2 N N 8.644 2.258 -0.192 1.00 . A A . 13 NH2 N 1 1 10 1963 1 1 1 SER C C 5.542 1.973 3.106 1.00 . A A . 1 SER C 1 1 10 1964 1 1 1 SER CA C 6.539 2.614 4.065 1.00 . A A . 1 SER CA 1 1 10 1965 1 1 1 SER CB C 5.893 3.799 4.786 1.00 . A A . 1 SER CB 1 1 10 1966 1 1 1 SER H1 H 8.498 3.244 4.042 1.00 . A A . 1 SER H1 1 1 10 1967 1 1 1 SER H2 H 7.491 3.995 2.873 1.00 . A A . 1 SER H2 1 1 10 1968 1 1 1 SER H3 H 8.011 2.375 2.647 1.00 . A A . 1 SER H3 1 1 10 1969 1 1 1 SER HA H 6.849 1.880 4.794 1.00 . A A . 1 SER HA 1 1 10 1970 1 1 1 SER HB2 H 6.149 4.713 4.273 1.00 . A A . 1 SER HB2 1 1 10 1971 1 1 1 SER HB3 H 4.820 3.675 4.787 1.00 . A A . 1 SER HB3 1 1 10 1972 1 1 1 SER HG H 5.962 4.664 6.543 1.00 . A A . 1 SER HG 1 1 10 1973 1 1 1 SER N N 7.743 3.101 3.342 1.00 . A A . 1 SER N 1 1 10 1974 1 1 1 SER O O 5.827 1.801 1.921 1.00 . A A . 1 SER O 1 1 10 1975 1 1 1 SER OG O 6.344 3.887 6.127 1.00 . A A . 1 SER OG 1 1 10 1976 1 1 2 TRP C C 2.194 1.978 2.549 1.00 . A A . 2 TRP C 1 1 10 1977 1 1 2 TRP CA C 3.330 0.999 2.817 1.00 . A A . 2 TRP CA 1 1 10 1978 1 1 2 TRP CB C 2.805 -0.261 3.511 1.00 . A A . 2 TRP CB 1 1 10 1979 1 1 2 TRP CD1 C 4.573 -2.100 3.755 1.00 . A A . 2 TRP CD1 1 1 10 1980 1 1 2 TRP CD2 C 3.335 -2.253 1.897 1.00 . A A . 2 TRP CD2 1 1 10 1981 1 1 2 TRP CE2 C 4.271 -3.304 1.898 1.00 . A A . 2 TRP CE2 1 1 10 1982 1 1 2 TRP CE3 C 2.445 -2.148 0.825 1.00 . A A . 2 TRP CE3 1 1 10 1983 1 1 2 TRP CG C 3.547 -1.493 3.091 1.00 . A A . 2 TRP CG 1 1 10 1984 1 1 2 TRP CH2 C 3.458 -4.105 -0.171 1.00 . A A . 2 TRP CH2 1 1 10 1985 1 1 2 TRP CZ2 C 4.341 -4.239 0.867 1.00 . A A . 2 TRP CZ2 1 1 10 1986 1 1 2 TRP CZ3 C 2.515 -3.070 -0.193 1.00 . A A . 2 TRP CZ3 1 1 10 1987 1 1 2 TRP H H 4.202 1.784 4.578 1.00 . A A . 2 TRP H 1 1 10 1988 1 1 2 TRP HA H 3.773 0.718 1.873 1.00 . A A . 2 TRP HA 1 1 10 1989 1 1 2 TRP HB2 H 2.909 -0.148 4.581 1.00 . A A . 2 TRP HB2 1 1 10 1990 1 1 2 TRP HB3 H 1.764 -0.394 3.269 1.00 . A A . 2 TRP HB3 1 1 10 1991 1 1 2 TRP HD1 H 4.972 -1.761 4.700 1.00 . A A . 2 TRP HD1 1 1 10 1992 1 1 2 TRP HE1 H 5.745 -3.787 3.312 1.00 . A A . 2 TRP HE1 1 1 10 1993 1 1 2 TRP HE3 H 1.696 -1.373 0.788 1.00 . A A . 2 TRP HE3 1 1 10 1994 1 1 2 TRP HH2 H 3.477 -4.806 -0.993 1.00 . A A . 2 TRP HH2 1 1 10 1995 1 1 2 TRP HZ2 H 5.063 -5.042 0.871 1.00 . A A . 2 TRP HZ2 1 1 10 1996 1 1 2 TRP HZ3 H 1.836 -2.988 -1.028 1.00 . A A . 2 TRP HZ3 1 1 10 1997 1 1 2 TRP N N 4.371 1.621 3.627 1.00 . A A . 2 TRP N 1 1 10 1998 1 1 2 TRP NE1 N 5.016 -3.190 3.044 1.00 . A A . 2 TRP NE1 1 1 10 1999 1 1 2 TRP O O 1.920 2.858 3.366 1.00 . A A . 2 TRP O 1 1 10 2000 1 1 3 THR C C -0.875 1.949 0.915 1.00 . A A . 3 THR C 1 1 10 2001 1 1 3 THR CA C 0.432 2.721 1.047 1.00 . A A . 3 THR CA 1 1 10 2002 1 1 3 THR CB C 0.740 3.459 -0.261 1.00 . A A . 3 THR CB 1 1 10 2003 1 1 3 THR CG2 C 0.750 4.965 -0.109 1.00 . A A . 3 THR CG2 1 1 10 2004 1 1 3 THR H H 1.795 1.109 0.781 1.00 . A A . 3 THR H 1 1 10 2005 1 1 3 THR HA H 0.327 3.447 1.840 1.00 . A A . 3 THR HA 1 1 10 2006 1 1 3 THR HB H -0.013 3.206 -0.993 1.00 . A A . 3 THR HB 1 1 10 2007 1 1 3 THR HG1 H 2.126 3.454 -1.645 1.00 . A A . 3 THR HG1 1 1 10 2008 1 1 3 THR HG21 H -0.220 5.359 -0.373 1.00 . A A . 3 THR HG21 1 1 10 2009 1 1 3 THR HG22 H 1.501 5.387 -0.761 1.00 . A A . 3 THR HG22 1 1 10 2010 1 1 3 THR HG23 H 0.977 5.222 0.915 1.00 . A A . 3 THR HG23 1 1 10 2011 1 1 3 THR N N 1.535 1.830 1.401 1.00 . A A . 3 THR N 1 1 10 2012 1 1 3 THR O O -0.990 1.036 0.101 1.00 . A A . 3 THR O 1 1 10 2013 1 1 3 THR OG1 O 2.003 3.072 -0.773 1.00 . A A . 3 THR OG1 1 1 10 2014 1 1 4 TRP C C -4.117 2.423 0.785 1.00 . A A . 4 TRP C 1 1 10 2015 1 1 4 TRP CA C -3.159 1.672 1.706 1.00 . A A . 4 TRP CA 1 1 10 2016 1 1 4 TRP CB C -3.727 1.622 3.125 1.00 . A A . 4 TRP CB 1 1 10 2017 1 1 4 TRP CD1 C -6.006 0.879 3.945 1.00 . A A . 4 TRP CD1 1 1 10 2018 1 1 4 TRP CD2 C -4.853 -0.698 2.891 1.00 . A A . 4 TRP CD2 1 1 10 2019 1 1 4 TRP CE2 C -6.085 -1.245 3.276 1.00 . A A . 4 TRP CE2 1 1 10 2020 1 1 4 TRP CE3 C -3.942 -1.483 2.215 1.00 . A A . 4 TRP CE3 1 1 10 2021 1 1 4 TRP CG C -4.833 0.652 3.313 1.00 . A A . 4 TRP CG 1 1 10 2022 1 1 4 TRP CH2 C -5.508 -3.327 2.328 1.00 . A A . 4 TRP CH2 1 1 10 2023 1 1 4 TRP CZ2 C -6.427 -2.564 3.000 1.00 . A A . 4 TRP CZ2 1 1 10 2024 1 1 4 TRP CZ3 C -4.270 -2.797 1.937 1.00 . A A . 4 TRP CZ3 1 1 10 2025 1 1 4 TRP H H -1.702 3.063 2.350 1.00 . A A . 4 TRP H 1 1 10 2026 1 1 4 TRP HA H -3.028 0.668 1.336 1.00 . A A . 4 TRP HA 1 1 10 2027 1 1 4 TRP HB2 H -2.954 1.363 3.819 1.00 . A A . 4 TRP HB2 1 1 10 2028 1 1 4 TRP HB3 H -4.096 2.583 3.370 1.00 . A A . 4 TRP HB3 1 1 10 2029 1 1 4 TRP HD1 H -6.269 1.822 4.386 1.00 . A A . 4 TRP HD1 1 1 10 2030 1 1 4 TRP HE1 H -7.680 -0.344 4.306 1.00 . A A . 4 TRP HE1 1 1 10 2031 1 1 4 TRP HE3 H -2.991 -1.074 1.917 1.00 . A A . 4 TRP HE3 1 1 10 2032 1 1 4 TRP HH2 H -5.727 -4.358 2.093 1.00 . A A . 4 TRP HH2 1 1 10 2033 1 1 4 TRP HZ2 H -7.379 -2.981 3.291 1.00 . A A . 4 TRP HZ2 1 1 10 2034 1 1 4 TRP HZ3 H -3.570 -3.428 1.409 1.00 . A A . 4 TRP HZ3 1 1 10 2035 1 1 4 TRP N N -1.857 2.326 1.723 1.00 . A A . 4 TRP N 1 1 10 2036 1 1 4 TRP NE1 N -6.782 -0.256 3.923 1.00 . A A . 4 TRP NE1 1 1 10 2037 1 1 4 TRP O O -4.368 3.613 0.976 1.00 . A A . 4 TRP O 1 1 10 2038 1 1 5 GLU C C -6.710 1.410 -1.543 1.00 . A A . 5 GLU C 1 1 10 2039 1 1 5 GLU CA C -5.563 2.347 -1.169 1.00 . A A . 5 GLU CA 1 1 10 2040 1 1 5 GLU CB C -4.809 2.772 -2.430 1.00 . A A . 5 GLU CB 1 1 10 2041 1 1 5 GLU CD C -2.939 4.255 -1.602 1.00 . A A . 5 GLU CD 1 1 10 2042 1 1 5 GLU CG C -4.252 4.185 -2.358 1.00 . A A . 5 GLU CG 1 1 10 2043 1 1 5 GLU H H -4.404 0.786 -0.330 1.00 . A A . 5 GLU H 1 1 10 2044 1 1 5 GLU HA H -5.975 3.227 -0.699 1.00 . A A . 5 GLU HA 1 1 10 2045 1 1 5 GLU HB2 H -3.987 2.092 -2.591 1.00 . A A . 5 GLU HB2 1 1 10 2046 1 1 5 GLU HB3 H -5.482 2.716 -3.274 1.00 . A A . 5 GLU HB3 1 1 10 2047 1 1 5 GLU HG2 H -4.090 4.546 -3.363 1.00 . A A . 5 GLU HG2 1 1 10 2048 1 1 5 GLU HG3 H -4.972 4.817 -1.860 1.00 . A A . 5 GLU HG3 1 1 10 2049 1 1 5 GLU N N -4.643 1.728 -0.220 1.00 . A A . 5 GLU N 1 1 10 2050 1 1 5 GLU O O -6.500 0.369 -2.164 1.00 . A A . 5 GLU O 1 1 10 2051 1 1 5 GLU OE1 O -2.719 5.256 -0.888 1.00 . A A . 5 GLU OE1 1 1 10 2052 1 1 5 GLU OE2 O -2.132 3.310 -1.724 1.00 . A A . 5 GLU OE2 1 1 10 2053 1 1 6 ASN C C -8.958 -0.456 -1.160 1.00 . A A . 6 ASN C 1 1 10 2054 1 1 6 ASN CA C -9.124 1.030 -1.485 1.00 . A A . 6 ASN CA 1 1 10 2055 1 1 6 ASN CB C -9.493 1.202 -2.960 1.00 . A A . 6 ASN CB 1 1 10 2056 1 1 6 ASN CG C -10.971 1.476 -3.153 1.00 . A A . 6 ASN CG 1 1 10 2057 1 1 6 ASN H H -8.022 2.656 -0.698 1.00 . A A . 6 ASN H 1 1 10 2058 1 1 6 ASN HA H -9.930 1.423 -0.883 1.00 . A A . 6 ASN HA 1 1 10 2059 1 1 6 ASN HB2 H -8.935 2.033 -3.370 1.00 . A A . 6 ASN HB2 1 1 10 2060 1 1 6 ASN HB3 H -9.238 0.298 -3.499 1.00 . A A . 6 ASN HB3 1 1 10 2061 1 1 6 ASN HD21 H -10.914 2.886 -1.752 1.00 . A A . 6 ASN HD21 1 1 10 2062 1 1 6 ASN HD22 H -12.453 2.619 -2.486 1.00 . A A . 6 ASN HD22 1 1 10 2063 1 1 6 ASN N N -7.925 1.806 -1.176 1.00 . A A . 6 ASN N 1 1 10 2064 1 1 6 ASN ND2 N -11.499 2.423 -2.387 1.00 . A A . 6 ASN ND2 1 1 10 2065 1 1 6 ASN O O -9.328 -1.317 -1.960 1.00 . A A . 6 ASN O 1 1 10 2066 1 1 6 ASN OD1 O -11.629 0.845 -3.979 1.00 . A A . 6 ASN OD1 1 1 10 2067 1 1 7 GLY C C -7.019 -2.792 -0.191 1.00 . A A . 7 GLY C 1 1 10 2068 1 1 7 GLY CA C -8.250 -2.140 0.414 1.00 . A A . 7 GLY CA 1 1 10 2069 1 1 7 GLY H H -8.157 -0.037 0.629 1.00 . A A . 7 GLY H 1 1 10 2070 1 1 7 GLY HA2 H -8.173 -2.184 1.490 1.00 . A A . 7 GLY HA2 1 1 10 2071 1 1 7 GLY HA3 H -9.124 -2.698 0.104 1.00 . A A . 7 GLY HA3 1 1 10 2072 1 1 7 GLY N N -8.423 -0.756 0.018 1.00 . A A . 7 GLY N 1 1 10 2073 1 1 7 GLY O O -6.914 -4.019 -0.209 1.00 . A A . 7 GLY O 1 1 10 2074 1 1 8 LYS C C -3.624 -1.791 -0.800 1.00 . A A . 8 LYS C 1 1 10 2075 1 1 8 LYS CA C -4.869 -2.527 -1.291 1.00 . A A . 8 LYS CA 1 1 10 2076 1 1 8 LYS CB C -4.952 -2.453 -2.817 1.00 . A A . 8 LYS CB 1 1 10 2077 1 1 8 LYS CD C -3.859 -4.486 -3.822 1.00 . A A . 8 LYS CD 1 1 10 2078 1 1 8 LYS CE C -3.352 -5.343 -2.671 1.00 . A A . 8 LYS CE 1 1 10 2079 1 1 8 LYS CG C -3.720 -3.001 -3.524 1.00 . A A . 8 LYS CG 1 1 10 2080 1 1 8 LYS H H -6.214 -1.015 -0.652 1.00 . A A . 8 LYS H 1 1 10 2081 1 1 8 LYS HA H -4.794 -3.562 -0.997 1.00 . A A . 8 LYS HA 1 1 10 2082 1 1 8 LYS HB2 H -5.810 -3.018 -3.148 1.00 . A A . 8 LYS HB2 1 1 10 2083 1 1 8 LYS HB3 H -5.078 -1.421 -3.110 1.00 . A A . 8 LYS HB3 1 1 10 2084 1 1 8 LYS HD2 H -4.901 -4.712 -3.993 1.00 . A A . 8 LYS HD2 1 1 10 2085 1 1 8 LYS HD3 H -3.289 -4.719 -4.710 1.00 . A A . 8 LYS HD3 1 1 10 2086 1 1 8 LYS HE2 H -3.853 -5.039 -1.765 1.00 . A A . 8 LYS HE2 1 1 10 2087 1 1 8 LYS HE3 H -3.586 -6.376 -2.880 1.00 . A A . 8 LYS HE3 1 1 10 2088 1 1 8 LYS HG2 H -3.585 -2.470 -4.454 1.00 . A A . 8 LYS HG2 1 1 10 2089 1 1 8 LYS HG3 H -2.857 -2.848 -2.893 1.00 . A A . 8 LYS HG3 1 1 10 2090 1 1 8 LYS HZ1 H -1.379 -5.508 -3.338 1.00 . A A . 8 LYS HZ1 1 1 10 2091 1 1 8 LYS HZ2 H -1.570 -5.804 -1.684 1.00 . A A . 8 LYS HZ2 1 1 10 2092 1 1 8 LYS HZ3 H -1.635 -4.221 -2.271 1.00 . A A . 8 LYS HZ3 1 1 10 2093 1 1 8 LYS N N -6.085 -1.986 -0.689 1.00 . A A . 8 LYS N 1 1 10 2094 1 1 8 LYS NZ N -1.881 -5.209 -2.478 1.00 . A A . 8 LYS NZ 1 1 10 2095 1 1 8 LYS O O -3.627 -0.572 -0.647 1.00 . A A . 8 LYS O 1 1 10 2096 1 1 9 TRP C C -0.345 -1.731 -1.247 1.00 . A A . 9 TRP C 1 1 10 2097 1 1 9 TRP CA C -1.299 -1.995 -0.088 1.00 . A A . 9 TRP CA 1 1 10 2098 1 1 9 TRP CB C -0.654 -2.967 0.888 1.00 . A A . 9 TRP CB 1 1 10 2099 1 1 9 TRP CD1 C -1.609 -3.667 3.102 1.00 . A A . 9 TRP CD1 1 1 10 2100 1 1 9 TRP CD2 C -0.923 -1.559 3.048 1.00 . A A . 9 TRP CD2 1 1 10 2101 1 1 9 TRP CE2 C -1.419 -1.821 4.335 1.00 . A A . 9 TRP CE2 1 1 10 2102 1 1 9 TRP CE3 C -0.430 -0.295 2.755 1.00 . A A . 9 TRP CE3 1 1 10 2103 1 1 9 TRP CG C -1.057 -2.752 2.293 1.00 . A A . 9 TRP CG 1 1 10 2104 1 1 9 TRP CH2 C -0.936 0.385 5.016 1.00 . A A . 9 TRP CH2 1 1 10 2105 1 1 9 TRP CZ2 C -1.430 -0.852 5.334 1.00 . A A . 9 TRP CZ2 1 1 10 2106 1 1 9 TRP CZ3 C -0.441 0.665 3.739 1.00 . A A . 9 TRP CZ3 1 1 10 2107 1 1 9 TRP H H -2.628 -3.520 -0.699 1.00 . A A . 9 TRP H 1 1 10 2108 1 1 9 TRP HA H -1.503 -1.065 0.424 1.00 . A A . 9 TRP HA 1 1 10 2109 1 1 9 TRP HB2 H -0.918 -3.964 0.616 1.00 . A A . 9 TRP HB2 1 1 10 2110 1 1 9 TRP HB3 H 0.400 -2.877 0.844 1.00 . A A . 9 TRP HB3 1 1 10 2111 1 1 9 TRP HD1 H -1.825 -4.664 2.786 1.00 . A A . 9 TRP HD1 1 1 10 2112 1 1 9 TRP HE1 H -2.229 -3.598 5.112 1.00 . A A . 9 TRP HE1 1 1 10 2113 1 1 9 TRP HE3 H -0.040 -0.065 1.777 1.00 . A A . 9 TRP HE3 1 1 10 2114 1 1 9 TRP HH2 H -0.916 1.167 5.754 1.00 . A A . 9 TRP HH2 1 1 10 2115 1 1 9 TRP HZ2 H -1.810 -1.054 6.325 1.00 . A A . 9 TRP HZ2 1 1 10 2116 1 1 9 TRP HZ3 H -0.068 1.652 3.523 1.00 . A A . 9 TRP HZ3 1 1 10 2117 1 1 9 TRP N N -2.561 -2.552 -0.560 1.00 . A A . 9 TRP N 1 1 10 2118 1 1 9 TRP NE1 N -1.836 -3.128 4.347 1.00 . A A . 9 TRP NE1 1 1 10 2119 1 1 9 TRP O O -0.295 -2.495 -2.211 1.00 . A A . 9 TRP O 1 1 10 2120 1 1 10 THR C C 2.757 -0.051 -1.555 1.00 . A A . 10 THR C 1 1 10 2121 1 1 10 THR CA C 1.382 -0.288 -2.170 1.00 . A A . 10 THR CA 1 1 10 2122 1 1 10 THR CB C 0.919 0.958 -2.926 1.00 . A A . 10 THR CB 1 1 10 2123 1 1 10 THR CG2 C 1.048 0.821 -4.427 1.00 . A A . 10 THR CG2 1 1 10 2124 1 1 10 THR H H 0.337 -0.086 -0.343 1.00 . A A . 10 THR H 1 1 10 2125 1 1 10 THR HA H 1.450 -1.114 -2.863 1.00 . A A . 10 THR HA 1 1 10 2126 1 1 10 THR HB H 1.521 1.801 -2.618 1.00 . A A . 10 THR HB 1 1 10 2127 1 1 10 THR HG1 H -0.535 1.417 -1.696 1.00 . A A . 10 THR HG1 1 1 10 2128 1 1 10 THR HG21 H 0.100 1.049 -4.892 1.00 . A A . 10 THR HG21 1 1 10 2129 1 1 10 THR HG22 H 1.334 -0.192 -4.670 1.00 . A A . 10 THR HG22 1 1 10 2130 1 1 10 THR HG23 H 1.801 1.505 -4.788 1.00 . A A . 10 THR HG23 1 1 10 2131 1 1 10 THR N N 0.418 -0.650 -1.140 1.00 . A A . 10 THR N 1 1 10 2132 1 1 10 THR O O 2.908 0.767 -0.648 1.00 . A A . 10 THR O 1 1 10 2133 1 1 10 THR OG1 O -0.437 1.250 -2.636 1.00 . A A . 10 THR OG1 1 1 10 2134 1 1 11 TRP C C 5.898 0.397 -2.331 1.00 . A A . 11 TRP C 1 1 10 2135 1 1 11 TRP CA C 5.113 -0.643 -1.539 1.00 . A A . 11 TRP CA 1 1 10 2136 1 1 11 TRP CB C 5.832 -1.991 -1.590 1.00 . A A . 11 TRP CB 1 1 10 2137 1 1 11 TRP CD1 C 8.370 -2.253 -1.838 1.00 . A A . 11 TRP CD1 1 1 10 2138 1 1 11 TRP CD2 C 7.713 -1.495 0.162 1.00 . A A . 11 TRP CD2 1 1 10 2139 1 1 11 TRP CE2 C 9.117 -1.592 0.159 1.00 . A A . 11 TRP CE2 1 1 10 2140 1 1 11 TRP CE3 C 7.072 -1.038 1.316 1.00 . A A . 11 TRP CE3 1 1 10 2141 1 1 11 TRP CG C 7.254 -1.924 -1.124 1.00 . A A . 11 TRP CG 1 1 10 2142 1 1 11 TRP CH2 C 9.235 -0.804 2.382 1.00 . A A . 11 TRP CH2 1 1 10 2143 1 1 11 TRP CZ2 C 9.890 -1.249 1.266 1.00 . A A . 11 TRP CZ2 1 1 10 2144 1 1 11 TRP CZ3 C 7.839 -0.697 2.413 1.00 . A A . 11 TRP CZ3 1 1 10 2145 1 1 11 TRP H H 3.572 -1.415 -2.768 1.00 . A A . 11 TRP H 1 1 10 2146 1 1 11 TRP HA H 5.049 -0.320 -0.511 1.00 . A A . 11 TRP HA 1 1 10 2147 1 1 11 TRP HB2 H 5.307 -2.693 -0.959 1.00 . A A . 11 TRP HB2 1 1 10 2148 1 1 11 TRP HB3 H 5.830 -2.356 -2.607 1.00 . A A . 11 TRP HB3 1 1 10 2149 1 1 11 TRP HD1 H 8.355 -2.614 -2.856 1.00 . A A . 11 TRP HD1 1 1 10 2150 1 1 11 TRP HE1 H 10.416 -2.225 -1.363 1.00 . A A . 11 TRP HE1 1 1 10 2151 1 1 11 TRP HE3 H 5.996 -0.948 1.360 1.00 . A A . 11 TRP HE3 1 1 10 2152 1 1 11 TRP HH2 H 9.794 -0.528 3.263 1.00 . A A . 11 TRP HH2 1 1 10 2153 1 1 11 TRP HZ2 H 10.967 -1.326 1.257 1.00 . A A . 11 TRP HZ2 1 1 10 2154 1 1 11 TRP HZ3 H 7.360 -0.342 3.313 1.00 . A A . 11 TRP HZ3 1 1 10 2155 1 1 11 TRP N N 3.754 -0.775 -2.048 1.00 . A A . 11 TRP N 1 1 10 2156 1 1 11 TRP NE1 N 9.494 -2.058 -1.073 1.00 . A A . 11 TRP NE1 1 1 10 2157 1 1 11 TRP O O 5.623 0.635 -3.507 1.00 . A A . 11 TRP O 1 1 10 2158 1 1 12 LYS C C 8.814 2.495 -1.380 1.00 . A A . 12 LYS C 1 1 10 2159 1 1 12 LYS CA C 7.707 2.025 -2.318 1.00 . A A . 12 LYS CA 1 1 10 2160 1 1 12 LYS CB C 6.848 3.215 -2.755 1.00 . A A . 12 LYS CB 1 1 10 2161 1 1 12 LYS CD C 5.568 4.285 -4.634 1.00 . A A . 12 LYS CD 1 1 10 2162 1 1 12 LYS CE C 6.105 5.656 -5.013 1.00 . A A . 12 LYS CE 1 1 10 2163 1 1 12 LYS CG C 6.691 3.331 -4.262 1.00 . A A . 12 LYS CG 1 1 10 2164 1 1 12 LYS H H 7.049 0.776 -0.740 1.00 . A A . 12 LYS H 1 1 10 2165 1 1 12 LYS HA H 8.157 1.578 -3.192 1.00 . A A . 12 LYS HA 1 1 10 2166 1 1 12 LYS HB2 H 5.864 3.113 -2.320 1.00 . A A . 12 LYS HB2 1 1 10 2167 1 1 12 LYS HB3 H 7.299 4.126 -2.391 1.00 . A A . 12 LYS HB3 1 1 10 2168 1 1 12 LYS HD2 H 5.026 3.878 -5.474 1.00 . A A . 12 LYS HD2 1 1 10 2169 1 1 12 LYS HD3 H 4.903 4.390 -3.789 1.00 . A A . 12 LYS HD3 1 1 10 2170 1 1 12 LYS HE2 H 5.275 6.340 -5.108 1.00 . A A . 12 LYS HE2 1 1 10 2171 1 1 12 LYS HE3 H 6.765 5.999 -4.230 1.00 . A A . 12 LYS HE3 1 1 10 2172 1 1 12 LYS HG2 H 7.615 3.697 -4.683 1.00 . A A . 12 LYS HG2 1 1 10 2173 1 1 12 LYS HG3 H 6.471 2.354 -4.667 1.00 . A A . 12 LYS HG3 1 1 10 2174 1 1 12 LYS HZ1 H 6.316 5.092 -7.013 1.00 . A A . 12 LYS HZ1 1 1 10 2175 1 1 12 LYS HZ2 H 7.777 5.164 -6.164 1.00 . A A . 12 LYS HZ2 1 1 10 2176 1 1 12 LYS HZ3 H 7.010 6.591 -6.647 1.00 . A A . 12 LYS HZ3 1 1 10 2177 1 1 12 LYS N N 6.878 1.012 -1.677 1.00 . A A . 12 LYS N 1 1 10 2178 1 1 12 LYS NZ N 6.854 5.624 -6.299 1.00 . A A . 12 LYS NZ 1 1 10 2179 1 1 12 LYS O O 9.998 2.288 -1.648 1.00 . A A . 12 LYS O 1 1 10 2180 1 1 13 NH2 N N 8.437 3.017 -0.218 1.00 . A A . 13 NH2 N 1 1 11 2181 1 1 1 SER C C 5.455 2.033 3.264 1.00 . A A . 1 SER C 1 1 11 2182 1 1 1 SER CA C 6.407 2.673 4.269 1.00 . A A . 1 SER CA 1 1 11 2183 1 1 1 SER CB C 5.718 3.838 4.981 1.00 . A A . 1 SER CB 1 1 11 2184 1 1 1 SER H1 H 7.334 3.877 2.881 1.00 . A A . 1 SER H1 1 1 11 2185 1 1 1 SER H2 H 8.114 2.374 3.160 1.00 . A A . 1 SER H2 1 1 11 2186 1 1 1 SER H3 H 8.227 3.631 4.324 1.00 . A A . 1 SER H3 1 1 11 2187 1 1 1 SER HA H 6.699 1.933 4.998 1.00 . A A . 1 SER HA 1 1 11 2188 1 1 1 SER HB2 H 5.414 4.574 4.251 1.00 . A A . 1 SER HB2 1 1 11 2189 1 1 1 SER HB3 H 4.849 3.472 5.507 1.00 . A A . 1 SER HB3 1 1 11 2190 1 1 1 SER HG H 6.499 4.028 6.767 1.00 . A A . 1 SER HG 1 1 11 2191 1 1 1 SER N N 7.631 3.185 3.598 1.00 . A A . 1 SER N 1 1 11 2192 1 1 1 SER O O 5.787 1.881 2.088 1.00 . A A . 1 SER O 1 1 11 2193 1 1 1 SER OG O 6.590 4.455 5.912 1.00 . A A . 1 SER OG 1 1 11 2194 1 1 2 TRP C C 2.127 2.002 2.586 1.00 . A A . 2 TRP C 1 1 11 2195 1 1 2 TRP CA C 3.269 1.035 2.877 1.00 . A A . 2 TRP CA 1 1 11 2196 1 1 2 TRP CB C 2.737 -0.244 3.531 1.00 . A A . 2 TRP CB 1 1 11 2197 1 1 2 TRP CD1 C 4.540 -2.048 3.780 1.00 . A A . 2 TRP CD1 1 1 11 2198 1 1 2 TRP CD2 C 3.318 -2.217 1.912 1.00 . A A . 2 TRP CD2 1 1 11 2199 1 1 2 TRP CE2 C 4.274 -3.250 1.916 1.00 . A A . 2 TRP CE2 1 1 11 2200 1 1 2 TRP CE3 C 2.434 -2.125 0.834 1.00 . A A . 2 TRP CE3 1 1 11 2201 1 1 2 TRP CG C 3.506 -1.459 3.112 1.00 . A A . 2 TRP CG 1 1 11 2202 1 1 2 TRP CH2 C 3.493 -4.057 -0.163 1.00 . A A . 2 TRP CH2 1 1 11 2203 1 1 2 TRP CZ2 C 4.371 -4.178 0.881 1.00 . A A . 2 TRP CZ2 1 1 11 2204 1 1 2 TRP CZ3 C 2.530 -3.041 -0.187 1.00 . A A . 2 TRP CZ3 1 1 11 2205 1 1 2 TRP H H 4.063 1.806 4.682 1.00 . A A . 2 TRP H 1 1 11 2206 1 1 2 TRP HA H 3.749 0.777 1.945 1.00 . A A . 2 TRP HA 1 1 11 2207 1 1 2 TRP HB2 H 2.806 -0.151 4.606 1.00 . A A . 2 TRP HB2 1 1 11 2208 1 1 2 TRP HB3 H 1.707 -0.384 3.253 1.00 . A A . 2 TRP HB3 1 1 11 2209 1 1 2 TRP HD1 H 4.925 -1.706 4.730 1.00 . A A . 2 TRP HD1 1 1 11 2210 1 1 2 TRP HE1 H 5.748 -3.710 3.338 1.00 . A A . 2 TRP HE1 1 1 11 2211 1 1 2 TRP HE3 H 1.669 -1.365 0.796 1.00 . A A . 2 TRP HE3 1 1 11 2212 1 1 2 TRP HH2 H 3.532 -4.753 -0.987 1.00 . A A . 2 TRP HH2 1 1 11 2213 1 1 2 TRP HZ2 H 5.109 -4.967 0.887 1.00 . A A . 2 TRP HZ2 1 1 11 2214 1 1 2 TRP HZ3 H 1.857 -2.968 -1.026 1.00 . A A . 2 TRP HZ3 1 1 11 2215 1 1 2 TRP N N 4.269 1.659 3.735 1.00 . A A . 2 TRP N 1 1 11 2216 1 1 2 TRP NE1 N 5.009 -3.126 3.067 1.00 . A A . 2 TRP NE1 1 1 11 2217 1 1 2 TRP O O 1.837 2.888 3.389 1.00 . A A . 2 TRP O 1 1 11 2218 1 1 3 THR C C -0.924 1.935 0.926 1.00 . A A . 3 THR C 1 1 11 2219 1 1 3 THR CA C 0.378 2.716 1.056 1.00 . A A . 3 THR CA 1 1 11 2220 1 1 3 THR CB C 0.691 3.429 -0.260 1.00 . A A . 3 THR CB 1 1 11 2221 1 1 3 THR CG2 C -0.283 4.541 -0.585 1.00 . A A . 3 THR CG2 1 1 11 2222 1 1 3 THR H H 1.755 1.111 0.822 1.00 . A A . 3 THR H 1 1 11 2223 1 1 3 THR HA H 0.262 3.454 1.835 1.00 . A A . 3 THR HA 1 1 11 2224 1 1 3 THR HB H 0.653 2.710 -1.065 1.00 . A A . 3 THR HB 1 1 11 2225 1 1 3 THR HG1 H 2.627 3.348 -0.549 1.00 . A A . 3 THR HG1 1 1 11 2226 1 1 3 THR HG21 H -0.151 4.846 -1.612 1.00 . A A . 3 THR HG21 1 1 11 2227 1 1 3 THR HG22 H -0.100 5.382 0.067 1.00 . A A . 3 THR HG22 1 1 11 2228 1 1 3 THR HG23 H -1.293 4.187 -0.441 1.00 . A A . 3 THR HG23 1 1 11 2229 1 1 3 THR N N 1.482 1.836 1.431 1.00 . A A . 3 THR N 1 1 11 2230 1 1 3 THR O O -1.028 1.011 0.123 1.00 . A A . 3 THR O 1 1 11 2231 1 1 3 THR OG1 O 1.991 3.992 -0.228 1.00 . A A . 3 THR OG1 1 1 11 2232 1 1 4 TRP C C -4.180 2.409 0.797 1.00 . A A . 4 TRP C 1 1 11 2233 1 1 4 TRP CA C -3.213 1.657 1.706 1.00 . A A . 4 TRP CA 1 1 11 2234 1 1 4 TRP CB C -3.771 1.594 3.129 1.00 . A A . 4 TRP CB 1 1 11 2235 1 1 4 TRP CD1 C -6.028 0.817 3.983 1.00 . A A . 4 TRP CD1 1 1 11 2236 1 1 4 TRP CD2 C -4.883 -0.734 2.882 1.00 . A A . 4 TRP CD2 1 1 11 2237 1 1 4 TRP CE2 C -6.103 -1.298 3.285 1.00 . A A . 4 TRP CE2 1 1 11 2238 1 1 4 TRP CE3 C -3.980 -1.502 2.176 1.00 . A A . 4 TRP CE3 1 1 11 2239 1 1 4 TRP CG C -4.866 0.610 3.325 1.00 . A A . 4 TRP CG 1 1 11 2240 1 1 4 TRP CH2 C -5.528 -3.361 2.295 1.00 . A A . 4 TRP CH2 1 1 11 2241 1 1 4 TRP CZ2 C -6.439 -2.616 2.997 1.00 . A A . 4 TRP CZ2 1 1 11 2242 1 1 4 TRP CZ3 C -4.303 -2.814 1.885 1.00 . A A . 4 TRP CZ3 1 1 11 2243 1 1 4 TRP H H -1.766 3.063 2.340 1.00 . A A . 4 TRP H 1 1 11 2244 1 1 4 TRP HA H -3.079 0.657 1.329 1.00 . A A . 4 TRP HA 1 1 11 2245 1 1 4 TRP HB2 H -2.990 1.342 3.817 1.00 . A A . 4 TRP HB2 1 1 11 2246 1 1 4 TRP HB3 H -4.150 2.550 3.379 1.00 . A A . 4 TRP HB3 1 1 11 2247 1 1 4 TRP HD1 H -6.291 1.751 4.444 1.00 . A A . 4 TRP HD1 1 1 11 2248 1 1 4 TRP HE1 H -7.683 -0.427 4.362 1.00 . A A . 4 TRP HE1 1 1 11 2249 1 1 4 TRP HE3 H -3.039 -1.081 1.864 1.00 . A A . 4 TRP HE3 1 1 11 2250 1 1 4 TRP HH2 H -5.743 -4.391 2.050 1.00 . A A . 4 TRP HH2 1 1 11 2251 1 1 4 TRP HZ2 H -7.380 -3.046 3.303 1.00 . A A . 4 TRP HZ2 1 1 11 2252 1 1 4 TRP HZ3 H -3.609 -3.431 1.334 1.00 . A A . 4 TRP HZ3 1 1 11 2253 1 1 4 TRP N N -1.913 2.317 1.722 1.00 . A A . 4 TRP N 1 1 11 2254 1 1 4 TRP NE1 N -6.794 -0.325 3.961 1.00 . A A . 4 TRP NE1 1 1 11 2255 1 1 4 TRP O O -4.435 3.597 0.998 1.00 . A A . 4 TRP O 1 1 11 2256 1 1 5 GLU C C -6.784 1.403 -1.520 1.00 . A A . 5 GLU C 1 1 11 2257 1 1 5 GLU CA C -5.638 2.341 -1.148 1.00 . A A . 5 GLU CA 1 1 11 2258 1 1 5 GLU CB C -4.895 2.777 -2.412 1.00 . A A . 5 GLU CB 1 1 11 2259 1 1 5 GLU CD C -5.582 3.888 -4.575 1.00 . A A . 5 GLU CD 1 1 11 2260 1 1 5 GLU CG C -5.484 4.016 -3.067 1.00 . A A . 5 GLU CG 1 1 11 2261 1 1 5 GLU H H -4.467 0.779 -0.328 1.00 . A A . 5 GLU H 1 1 11 2262 1 1 5 GLU HA H -6.050 3.216 -0.670 1.00 . A A . 5 GLU HA 1 1 11 2263 1 1 5 GLU HB2 H -3.866 2.985 -2.158 1.00 . A A . 5 GLU HB2 1 1 11 2264 1 1 5 GLU HB3 H -4.923 1.969 -3.129 1.00 . A A . 5 GLU HB3 1 1 11 2265 1 1 5 GLU HG2 H -6.475 4.180 -2.671 1.00 . A A . 5 GLU HG2 1 1 11 2266 1 1 5 GLU HG3 H -4.858 4.864 -2.832 1.00 . A A . 5 GLU HG3 1 1 11 2267 1 1 5 GLU N N -4.710 1.720 -0.210 1.00 . A A . 5 GLU N 1 1 11 2268 1 1 5 GLU O O -6.578 0.378 -2.170 1.00 . A A . 5 GLU O 1 1 11 2269 1 1 5 GLU OE1 O -6.533 4.450 -5.158 1.00 . A A . 5 GLU OE1 1 1 11 2270 1 1 5 GLU OE2 O -4.707 3.227 -5.173 1.00 . A A . 5 GLU OE2 1 1 11 2271 1 1 6 ASN C C -9.006 -0.493 -1.134 1.00 . A A . 6 ASN C 1 1 11 2272 1 1 6 ASN CA C -9.193 0.998 -1.421 1.00 . A A . 6 ASN CA 1 1 11 2273 1 1 6 ASN CB C -9.594 1.199 -2.884 1.00 . A A . 6 ASN CB 1 1 11 2274 1 1 6 ASN CG C -11.078 1.464 -3.040 1.00 . A A . 6 ASN CG 1 1 11 2275 1 1 6 ASN H H -8.089 2.616 -0.619 1.00 . A A . 6 ASN H 1 1 11 2276 1 1 6 ASN HA H -9.990 1.369 -0.794 1.00 . A A . 6 ASN HA 1 1 11 2277 1 1 6 ASN HB2 H -9.052 2.045 -3.286 1.00 . A A . 6 ASN HB2 1 1 11 2278 1 1 6 ASN HB3 H -9.343 0.310 -3.448 1.00 . A A . 6 ASN HB3 1 1 11 2279 1 1 6 ASN HD21 H -11.005 2.842 -1.608 1.00 . A A . 6 ASN HD21 1 1 11 2280 1 1 6 ASN HD22 H -12.556 2.577 -2.317 1.00 . A A . 6 ASN HD22 1 1 11 2281 1 1 6 ASN N N -7.995 1.779 -1.120 1.00 . A A . 6 ASN N 1 1 11 2282 1 1 6 ASN ND2 N -11.599 2.388 -2.242 1.00 . A A . 6 ASN ND2 1 1 11 2283 1 1 6 ASN O O -9.382 -1.340 -1.945 1.00 . A A . 6 ASN O 1 1 11 2284 1 1 6 ASN OD1 O -11.748 0.846 -3.867 1.00 . A A . 6 ASN OD1 1 1 11 2285 1 1 7 GLY C C -7.016 -2.824 -0.252 1.00 . A A . 7 GLY C 1 1 11 2286 1 1 7 GLY CA C -8.246 -2.204 0.387 1.00 . A A . 7 GLY CA 1 1 11 2287 1 1 7 GLY H H -8.172 -0.105 0.647 1.00 . A A . 7 GLY H 1 1 11 2288 1 1 7 GLY HA2 H -8.153 -2.273 1.461 1.00 . A A . 7 GLY HA2 1 1 11 2289 1 1 7 GLY HA3 H -9.117 -2.767 0.076 1.00 . A A . 7 GLY HA3 1 1 11 2290 1 1 7 GLY N N -8.443 -0.813 0.027 1.00 . A A . 7 GLY N 1 1 11 2291 1 1 7 GLY O O -6.906 -4.047 -0.328 1.00 . A A . 7 GLY O 1 1 11 2292 1 1 8 LYS C C -3.629 -1.776 -0.827 1.00 . A A . 8 LYS C 1 1 11 2293 1 1 8 LYS CA C -4.872 -2.495 -1.347 1.00 . A A . 8 LYS CA 1 1 11 2294 1 1 8 LYS CB C -4.963 -2.339 -2.866 1.00 . A A . 8 LYS CB 1 1 11 2295 1 1 8 LYS CD C -4.052 -4.226 -4.256 1.00 . A A . 8 LYS CD 1 1 11 2296 1 1 8 LYS CE C -4.304 -5.304 -3.214 1.00 . A A . 8 LYS CE 1 1 11 2297 1 1 8 LYS CG C -3.753 -2.883 -3.608 1.00 . A A . 8 LYS CG 1 1 11 2298 1 1 8 LYS H H -6.222 -1.023 -0.631 1.00 . A A . 8 LYS H 1 1 11 2299 1 1 8 LYS HA H -4.789 -3.545 -1.110 1.00 . A A . 8 LYS HA 1 1 11 2300 1 1 8 LYS HB2 H -5.841 -2.861 -3.218 1.00 . A A . 8 LYS HB2 1 1 11 2301 1 1 8 LYS HB3 H -5.061 -1.289 -3.103 1.00 . A A . 8 LYS HB3 1 1 11 2302 1 1 8 LYS HD2 H -4.930 -4.127 -4.877 1.00 . A A . 8 LYS HD2 1 1 11 2303 1 1 8 LYS HD3 H -3.208 -4.516 -4.865 1.00 . A A . 8 LYS HD3 1 1 11 2304 1 1 8 LYS HE2 H -5.040 -4.942 -2.511 1.00 . A A . 8 LYS HE2 1 1 11 2305 1 1 8 LYS HE3 H -4.685 -6.184 -3.711 1.00 . A A . 8 LYS HE3 1 1 11 2306 1 1 8 LYS HG2 H -3.468 -2.180 -4.376 1.00 . A A . 8 LYS HG2 1 1 11 2307 1 1 8 LYS HG3 H -2.939 -3.005 -2.908 1.00 . A A . 8 LYS HG3 1 1 11 2308 1 1 8 LYS HZ1 H -2.378 -4.882 -2.524 1.00 . A A . 8 LYS HZ1 1 1 11 2309 1 1 8 LYS HZ2 H -2.632 -6.513 -2.889 1.00 . A A . 8 LYS HZ2 1 1 11 2310 1 1 8 LYS HZ3 H -3.285 -5.853 -1.476 1.00 . A A . 8 LYS HZ3 1 1 11 2311 1 1 8 LYS N N -6.087 -1.990 -0.715 1.00 . A A . 8 LYS N 1 1 11 2312 1 1 8 LYS NZ N -3.063 -5.663 -2.474 1.00 . A A . 8 LYS NZ 1 1 11 2313 1 1 8 LYS O O -3.638 -0.565 -0.620 1.00 . A A . 8 LYS O 1 1 11 2314 1 1 9 TRP C C -0.331 -1.728 -1.274 1.00 . A A . 9 TRP C 1 1 11 2315 1 1 9 TRP CA C -1.302 -1.993 -0.129 1.00 . A A . 9 TRP CA 1 1 11 2316 1 1 9 TRP CB C -0.675 -2.973 0.851 1.00 . A A . 9 TRP CB 1 1 11 2317 1 1 9 TRP CD1 C -1.681 -3.691 3.035 1.00 . A A . 9 TRP CD1 1 1 11 2318 1 1 9 TRP CD2 C -0.985 -1.586 3.019 1.00 . A A . 9 TRP CD2 1 1 11 2319 1 1 9 TRP CE2 C -1.510 -1.859 4.292 1.00 . A A . 9 TRP CE2 1 1 11 2320 1 1 9 TRP CE3 C -0.480 -0.322 2.750 1.00 . A A . 9 TRP CE3 1 1 11 2321 1 1 9 TRP CG C -1.107 -2.771 2.249 1.00 . A A . 9 TRP CG 1 1 11 2322 1 1 9 TRP CH2 C -1.033 0.338 5.006 1.00 . A A . 9 TRP CH2 1 1 11 2323 1 1 9 TRP CZ2 C -1.539 -0.900 5.301 1.00 . A A . 9 TRP CZ2 1 1 11 2324 1 1 9 TRP CZ3 C -0.508 0.628 3.743 1.00 . A A . 9 TRP CZ3 1 1 11 2325 1 1 9 TRP H H -2.619 -3.501 -0.802 1.00 . A A . 9 TRP H 1 1 11 2326 1 1 9 TRP HA H -1.508 -1.065 0.386 1.00 . A A . 9 TRP HA 1 1 11 2327 1 1 9 TRP HB2 H -0.932 -3.968 0.565 1.00 . A A . 9 TRP HB2 1 1 11 2328 1 1 9 TRP HB3 H 0.380 -2.881 0.829 1.00 . A A . 9 TRP HB3 1 1 11 2329 1 1 9 TRP HD1 H -1.895 -4.683 2.704 1.00 . A A . 9 TRP HD1 1 1 11 2330 1 1 9 TRP HE1 H -2.346 -3.640 5.032 1.00 . A A . 9 TRP HE1 1 1 11 2331 1 1 9 TRP HE3 H -0.067 -0.084 1.783 1.00 . A A . 9 TRP HE3 1 1 11 2332 1 1 9 TRP HH2 H -1.025 1.112 5.752 1.00 . A A . 9 TRP HH2 1 1 11 2333 1 1 9 TRP HZ2 H -1.941 -1.111 6.281 1.00 . A A . 9 TRP HZ2 1 1 11 2334 1 1 9 TRP HZ3 H -0.126 1.616 3.545 1.00 . A A . 9 TRP HZ3 1 1 11 2335 1 1 9 TRP N N -2.560 -2.539 -0.622 1.00 . A A . 9 TRP N 1 1 11 2336 1 1 9 TRP NE1 N -1.933 -3.164 4.281 1.00 . A A . 9 TRP NE1 1 1 11 2337 1 1 9 TRP O O -0.249 -2.507 -2.224 1.00 . A A . 9 TRP O 1 1 11 2338 1 1 10 THR C C 2.745 -0.004 -1.555 1.00 . A A . 10 THR C 1 1 11 2339 1 1 10 THR CA C 1.386 -0.273 -2.190 1.00 . A A . 10 THR CA 1 1 11 2340 1 1 10 THR CB C 0.918 0.954 -2.975 1.00 . A A . 10 THR CB 1 1 11 2341 1 1 10 THR CG2 C 1.127 0.816 -4.466 1.00 . A A . 10 THR CG2 1 1 11 2342 1 1 10 THR H H 0.306 -0.057 -0.385 1.00 . A A . 10 THR H 1 1 11 2343 1 1 10 THR HA H 1.480 -1.108 -2.868 1.00 . A A . 10 THR HA 1 1 11 2344 1 1 10 THR HB H 1.473 1.819 -2.641 1.00 . A A . 10 THR HB 1 1 11 2345 1 1 10 THR HG1 H -0.611 1.373 -1.823 1.00 . A A . 10 THR HG1 1 1 11 2346 1 1 10 THR HG21 H 1.454 -0.189 -4.691 1.00 . A A . 10 THR HG21 1 1 11 2347 1 1 10 THR HG22 H 1.878 1.521 -4.791 1.00 . A A . 10 THR HG22 1 1 11 2348 1 1 10 THR HG23 H 0.198 1.016 -4.980 1.00 . A A . 10 THR HG23 1 1 11 2349 1 1 10 THR N N 0.410 -0.633 -1.171 1.00 . A A . 10 THR N 1 1 11 2350 1 1 10 THR O O 2.868 0.832 -0.660 1.00 . A A . 10 THR O 1 1 11 2351 1 1 10 THR OG1 O -0.461 1.197 -2.755 1.00 . A A . 10 THR OG1 1 1 11 2352 1 1 11 TRP C C 5.886 0.493 -2.266 1.00 . A A . 11 TRP C 1 1 11 2353 1 1 11 TRP CA C 5.109 -0.563 -1.487 1.00 . A A . 11 TRP CA 1 1 11 2354 1 1 11 TRP CB C 5.854 -1.897 -1.527 1.00 . A A . 11 TRP CB 1 1 11 2355 1 1 11 TRP CD1 C 8.400 -2.118 -1.726 1.00 . A A . 11 TRP CD1 1 1 11 2356 1 1 11 TRP CD2 C 7.692 -1.368 0.260 1.00 . A A . 11 TRP CD2 1 1 11 2357 1 1 11 TRP CE2 C 9.097 -1.443 0.285 1.00 . A A . 11 TRP CE2 1 1 11 2358 1 1 11 TRP CE3 C 7.021 -0.920 1.401 1.00 . A A . 11 TRP CE3 1 1 11 2359 1 1 11 TRP CG C 7.265 -1.805 -1.033 1.00 . A A . 11 TRP CG 1 1 11 2360 1 1 11 TRP CH2 C 9.159 -0.650 2.508 1.00 . A A . 11 TRP CH2 1 1 11 2361 1 1 11 TRP CZ2 C 9.842 -1.086 1.406 1.00 . A A . 11 TRP CZ2 1 1 11 2362 1 1 11 TRP CZ3 C 7.761 -0.566 2.512 1.00 . A A . 11 TRP CZ3 1 1 11 2363 1 1 11 TRP H H 3.601 -1.376 -2.729 1.00 . A A . 11 TRP H 1 1 11 2364 1 1 11 TRP HA H 5.021 -0.242 -0.460 1.00 . A A . 11 TRP HA 1 1 11 2365 1 1 11 TRP HB2 H 5.330 -2.610 -0.908 1.00 . A A . 11 TRP HB2 1 1 11 2366 1 1 11 TRP HB3 H 5.877 -2.259 -2.545 1.00 . A A . 11 TRP HB3 1 1 11 2367 1 1 11 TRP HD1 H 8.411 -2.481 -2.743 1.00 . A A . 11 TRP HD1 1 1 11 2368 1 1 11 TRP HE1 H 10.435 -2.056 -1.211 1.00 . A A . 11 TRP HE1 1 1 11 2369 1 1 11 TRP HE3 H 5.944 -0.848 1.423 1.00 . A A . 11 TRP HE3 1 1 11 2370 1 1 11 TRP HH2 H 9.697 -0.363 3.400 1.00 . A A . 11 TRP HH2 1 1 11 2371 1 1 11 TRP HZ2 H 10.921 -1.145 1.418 1.00 . A A . 11 TRP HZ2 1 1 11 2372 1 1 11 TRP HZ3 H 7.259 -0.217 3.402 1.00 . A A . 11 TRP HZ3 1 1 11 2373 1 1 11 TRP N N 3.761 -0.721 -2.018 1.00 . A A . 11 TRP N 1 1 11 2374 1 1 11 TRP NE1 N 9.506 -1.904 -0.939 1.00 . A A . 11 TRP NE1 1 1 11 2375 1 1 11 TRP O O 5.626 0.726 -3.447 1.00 . A A . 11 TRP O 1 1 11 2376 1 1 12 LYS C C 8.709 2.688 -1.249 1.00 . A A . 12 LYS C 1 1 11 2377 1 1 12 LYS CA C 7.663 2.157 -2.224 1.00 . A A . 12 LYS CA 1 1 11 2378 1 1 12 LYS CB C 6.785 3.305 -2.723 1.00 . A A . 12 LYS CB 1 1 11 2379 1 1 12 LYS CD C 4.779 4.743 -2.248 1.00 . A A . 12 LYS CD 1 1 11 2380 1 1 12 LYS CE C 5.141 6.219 -2.269 1.00 . A A . 12 LYS CE 1 1 11 2381 1 1 12 LYS CG C 5.895 3.904 -1.646 1.00 . A A . 12 LYS CG 1 1 11 2382 1 1 12 LYS H H 7.003 0.895 -0.656 1.00 . A A . 12 LYS H 1 1 11 2383 1 1 12 LYS HA H 8.168 1.708 -3.066 1.00 . A A . 12 LYS HA 1 1 11 2384 1 1 12 LYS HB2 H 7.421 4.087 -3.110 1.00 . A A . 12 LYS HB2 1 1 11 2385 1 1 12 LYS HB3 H 6.153 2.940 -3.520 1.00 . A A . 12 LYS HB3 1 1 11 2386 1 1 12 LYS HD2 H 4.599 4.412 -3.260 1.00 . A A . 12 LYS HD2 1 1 11 2387 1 1 12 LYS HD3 H 3.884 4.609 -1.659 1.00 . A A . 12 LYS HD3 1 1 11 2388 1 1 12 LYS HE2 H 4.762 6.682 -1.370 1.00 . A A . 12 LYS HE2 1 1 11 2389 1 1 12 LYS HE3 H 6.217 6.312 -2.295 1.00 . A A . 12 LYS HE3 1 1 11 2390 1 1 12 LYS HG2 H 5.458 3.104 -1.068 1.00 . A A . 12 LYS HG2 1 1 11 2391 1 1 12 LYS HG3 H 6.497 4.529 -1.003 1.00 . A A . 12 LYS HG3 1 1 11 2392 1 1 12 LYS HZ1 H 3.706 6.425 -3.772 1.00 . A A . 12 LYS HZ1 1 1 11 2393 1 1 12 LYS HZ2 H 5.254 6.927 -4.231 1.00 . A A . 12 LYS HZ2 1 1 11 2394 1 1 12 LYS HZ3 H 4.322 7.896 -3.206 1.00 . A A . 12 LYS HZ3 1 1 11 2395 1 1 12 LYS N N 6.843 1.127 -1.596 1.00 . A A . 12 LYS N 1 1 11 2396 1 1 12 LYS NZ N 4.566 6.915 -3.452 1.00 . A A . 12 LYS NZ 1 1 11 2397 1 1 12 LYS O O 8.385 3.418 -0.312 1.00 . A A . 12 LYS O 1 1 11 2398 1 1 13 NH2 N N 9.948 2.231 -1.389 1.00 . A A . 13 NH2 N 1 1 12 2399 1 1 1 SER C C 5.437 2.037 3.202 1.00 . A A . 1 SER C 1 1 12 2400 1 1 1 SER CA C 6.410 2.687 4.180 1.00 . A A . 1 SER CA 1 1 12 2401 1 1 1 SER CB C 5.748 3.884 4.866 1.00 . A A . 1 SER CB 1 1 12 2402 1 1 1 SER H1 H 8.137 3.805 4.127 1.00 . A A . 1 SER H1 1 1 12 2403 1 1 1 SER H2 H 7.338 3.650 2.616 1.00 . A A . 1 SER H2 1 1 12 2404 1 1 1 SER H3 H 8.217 2.326 3.265 1.00 . A A . 1 SER H3 1 1 12 2405 1 1 1 SER HA H 6.697 1.962 4.927 1.00 . A A . 1 SER HA 1 1 12 2406 1 1 1 SER HB2 H 5.626 4.684 4.151 1.00 . A A . 1 SER HB2 1 1 12 2407 1 1 1 SER HB3 H 4.781 3.589 5.245 1.00 . A A . 1 SER HB3 1 1 12 2408 1 1 1 SER HG H 6.788 5.267 5.785 1.00 . A A . 1 SER HG 1 1 12 2409 1 1 1 SER N N 7.636 3.159 3.484 1.00 . A A . 1 SER N 1 1 12 2410 1 1 1 SER O O 5.743 1.880 2.020 1.00 . A A . 1 SER O 1 1 12 2411 1 1 1 SER OG O 6.537 4.354 5.945 1.00 . A A . 1 SER OG 1 1 12 2412 1 1 2 TRP C C 2.102 1.992 2.591 1.00 . A A . 2 TRP C 1 1 12 2413 1 1 2 TRP CA C 3.248 1.027 2.872 1.00 . A A . 2 TRP CA 1 1 12 2414 1 1 2 TRP CB C 2.730 -0.245 3.549 1.00 . A A . 2 TRP CB 1 1 12 2415 1 1 2 TRP CD1 C 4.523 -2.059 3.803 1.00 . A A . 2 TRP CD1 1 1 12 2416 1 1 2 TRP CD2 C 3.311 -2.216 1.927 1.00 . A A . 2 TRP CD2 1 1 12 2417 1 1 2 TRP CE2 C 4.263 -3.252 1.933 1.00 . A A . 2 TRP CE2 1 1 12 2418 1 1 2 TRP CE3 C 2.433 -2.116 0.845 1.00 . A A . 2 TRP CE3 1 1 12 2419 1 1 2 TRP CG C 3.495 -1.462 3.131 1.00 . A A . 2 TRP CG 1 1 12 2420 1 1 2 TRP CH2 C 3.491 -4.048 -0.153 1.00 . A A . 2 TRP CH2 1 1 12 2421 1 1 2 TRP CZ2 C 4.363 -4.176 0.895 1.00 . A A . 2 TRP CZ2 1 1 12 2422 1 1 2 TRP CZ3 C 2.532 -3.028 -0.179 1.00 . A A . 2 TRP CZ3 1 1 12 2423 1 1 2 TRP H H 4.080 1.812 4.653 1.00 . A A . 2 TRP H 1 1 12 2424 1 1 2 TRP HA H 3.711 0.759 1.934 1.00 . A A . 2 TRP HA 1 1 12 2425 1 1 2 TRP HB2 H 2.816 -0.140 4.622 1.00 . A A . 2 TRP HB2 1 1 12 2426 1 1 2 TRP HB3 H 1.695 -0.391 3.290 1.00 . A A . 2 TRP HB3 1 1 12 2427 1 1 2 TRP HD1 H 4.904 -1.721 4.756 1.00 . A A . 2 TRP HD1 1 1 12 2428 1 1 2 TRP HE1 H 5.727 -3.723 3.361 1.00 . A A . 2 TRP HE1 1 1 12 2429 1 1 2 TRP HE3 H 1.671 -1.354 0.806 1.00 . A A . 2 TRP HE3 1 1 12 2430 1 1 2 TRP HH2 H 3.532 -4.741 -0.980 1.00 . A A . 2 TRP HH2 1 1 12 2431 1 1 2 TRP HZ2 H 5.098 -4.968 0.902 1.00 . A A . 2 TRP HZ2 1 1 12 2432 1 1 2 TRP HZ3 H 1.863 -2.950 -1.022 1.00 . A A . 2 TRP HZ3 1 1 12 2433 1 1 2 TRP N N 4.265 1.660 3.703 1.00 . A A . 2 TRP N 1 1 12 2434 1 1 2 TRP NE1 N 4.992 -3.135 3.088 1.00 . A A . 2 TRP NE1 1 1 12 2435 1 1 2 TRP O O 1.800 2.861 3.408 1.00 . A A . 2 TRP O 1 1 12 2436 1 1 3 THR C C -0.941 1.938 0.930 1.00 . A A . 3 THR C 1 1 12 2437 1 1 3 THR CA C 0.359 2.721 1.059 1.00 . A A . 3 THR CA 1 1 12 2438 1 1 3 THR CB C 0.668 3.439 -0.256 1.00 . A A . 3 THR CB 1 1 12 2439 1 1 3 THR CG2 C 0.188 4.874 -0.281 1.00 . A A . 3 THR CG2 1 1 12 2440 1 1 3 THR H H 1.750 1.131 0.809 1.00 . A A . 3 THR H 1 1 12 2441 1 1 3 THR HA H 0.245 3.457 1.841 1.00 . A A . 3 THR HA 1 1 12 2442 1 1 3 THR HB H 0.182 2.913 -1.065 1.00 . A A . 3 THR HB 1 1 12 2443 1 1 3 THR HG1 H 2.326 2.606 -0.883 1.00 . A A . 3 THR HG1 1 1 12 2444 1 1 3 THR HG21 H 0.248 5.291 0.713 1.00 . A A . 3 THR HG21 1 1 12 2445 1 1 3 THR HG22 H -0.835 4.905 -0.624 1.00 . A A . 3 THR HG22 1 1 12 2446 1 1 3 THR HG23 H 0.810 5.450 -0.951 1.00 . A A . 3 THR HG23 1 1 12 2447 1 1 3 THR N N 1.467 1.843 1.429 1.00 . A A . 3 THR N 1 1 12 2448 1 1 3 THR O O -1.046 1.017 0.124 1.00 . A A . 3 THR O 1 1 12 2449 1 1 3 THR OG1 O 2.063 3.449 -0.507 1.00 . A A . 3 THR OG1 1 1 12 2450 1 1 4 TRP C C -4.198 2.403 0.806 1.00 . A A . 4 TRP C 1 1 12 2451 1 1 4 TRP CA C -3.228 1.651 1.713 1.00 . A A . 4 TRP CA 1 1 12 2452 1 1 4 TRP CB C -3.785 1.582 3.136 1.00 . A A . 4 TRP CB 1 1 12 2453 1 1 4 TRP CD1 C -6.035 0.792 3.995 1.00 . A A . 4 TRP CD1 1 1 12 2454 1 1 4 TRP CD2 C -4.889 -0.749 2.881 1.00 . A A . 4 TRP CD2 1 1 12 2455 1 1 4 TRP CE2 C -6.105 -1.319 3.286 1.00 . A A . 4 TRP CE2 1 1 12 2456 1 1 4 TRP CE3 C -3.987 -1.510 2.166 1.00 . A A . 4 TRP CE3 1 1 12 2457 1 1 4 TRP CG C -4.875 0.593 3.331 1.00 . A A . 4 TRP CG 1 1 12 2458 1 1 4 TRP CH2 C -5.527 -3.375 2.282 1.00 . A A . 4 TRP CH2 1 1 12 2459 1 1 4 TRP CZ2 C -6.438 -2.637 2.991 1.00 . A A . 4 TRP CZ2 1 1 12 2460 1 1 4 TRP CZ3 C -4.306 -2.822 1.870 1.00 . A A . 4 TRP CZ3 1 1 12 2461 1 1 4 TRP H H -1.784 3.059 2.350 1.00 . A A . 4 TRP H 1 1 12 2462 1 1 4 TRP HA H -3.091 0.652 1.333 1.00 . A A . 4 TRP HA 1 1 12 2463 1 1 4 TRP HB2 H -3.002 1.333 3.823 1.00 . A A . 4 TRP HB2 1 1 12 2464 1 1 4 TRP HB3 H -4.168 2.536 3.388 1.00 . A A . 4 TRP HB3 1 1 12 2465 1 1 4 TRP HD1 H -6.300 1.723 4.463 1.00 . A A . 4 TRP HD1 1 1 12 2466 1 1 4 TRP HE1 H -7.683 -0.460 4.374 1.00 . A A . 4 TRP HE1 1 1 12 2467 1 1 4 TRP HE3 H -3.048 -1.084 1.854 1.00 . A A . 4 TRP HE3 1 1 12 2468 1 1 4 TRP HH2 H -5.740 -4.404 2.031 1.00 . A A . 4 TRP HH2 1 1 12 2469 1 1 4 TRP HZ2 H -7.377 -3.072 3.299 1.00 . A A . 4 TRP HZ2 1 1 12 2470 1 1 4 TRP HZ3 H -3.612 -3.434 1.312 1.00 . A A . 4 TRP HZ3 1 1 12 2471 1 1 4 TRP N N -1.930 2.315 1.729 1.00 . A A . 4 TRP N 1 1 12 2472 1 1 4 TRP NE1 N -6.797 -0.353 3.970 1.00 . A A . 4 TRP NE1 1 1 12 2473 1 1 4 TRP O O -4.455 3.590 1.010 1.00 . A A . 4 TRP O 1 1 12 2474 1 1 5 GLU C C -6.801 1.397 -1.513 1.00 . A A . 5 GLU C 1 1 12 2475 1 1 5 GLU CA C -5.656 2.337 -1.138 1.00 . A A . 5 GLU CA 1 1 12 2476 1 1 5 GLU CB C -4.913 2.780 -2.401 1.00 . A A . 5 GLU CB 1 1 12 2477 1 1 5 GLU CD C -4.219 5.205 -2.539 1.00 . A A . 5 GLU CD 1 1 12 2478 1 1 5 GLU CG C -5.286 4.179 -2.866 1.00 . A A . 5 GLU CG 1 1 12 2479 1 1 5 GLU H H -4.481 0.775 -0.323 1.00 . A A . 5 GLU H 1 1 12 2480 1 1 5 GLU HA H -6.071 3.210 -0.657 1.00 . A A . 5 GLU HA 1 1 12 2481 1 1 5 GLU HB2 H -3.851 2.761 -2.205 1.00 . A A . 5 GLU HB2 1 1 12 2482 1 1 5 GLU HB3 H -5.136 2.088 -3.199 1.00 . A A . 5 GLU HB3 1 1 12 2483 1 1 5 GLU HG2 H -5.430 4.162 -3.936 1.00 . A A . 5 GLU HG2 1 1 12 2484 1 1 5 GLU HG3 H -6.207 4.472 -2.384 1.00 . A A . 5 GLU HG3 1 1 12 2485 1 1 5 GLU N N -4.727 1.715 -0.202 1.00 . A A . 5 GLU N 1 1 12 2486 1 1 5 GLU O O -6.594 0.378 -2.172 1.00 . A A . 5 GLU O 1 1 12 2487 1 1 5 GLU OE1 O -3.020 4.871 -2.647 1.00 . A A . 5 GLU OE1 1 1 12 2488 1 1 5 GLU OE2 O -4.582 6.344 -2.177 1.00 . A A . 5 GLU OE2 1 1 12 2489 1 1 6 ASN C C -9.014 -0.510 -1.134 1.00 . A A . 6 ASN C 1 1 12 2490 1 1 6 ASN CA C -9.209 0.983 -1.409 1.00 . A A . 6 ASN CA 1 1 12 2491 1 1 6 ASN CB C -9.617 1.199 -2.870 1.00 . A A . 6 ASN CB 1 1 12 2492 1 1 6 ASN CG C -11.052 1.671 -3.003 1.00 . A A . 6 ASN CG 1 1 12 2493 1 1 6 ASN H H -8.108 2.599 -0.599 1.00 . A A . 6 ASN H 1 1 12 2494 1 1 6 ASN HA H -10.004 1.345 -0.775 1.00 . A A . 6 ASN HA 1 1 12 2495 1 1 6 ASN HB2 H -8.971 1.946 -3.310 1.00 . A A . 6 ASN HB2 1 1 12 2496 1 1 6 ASN HB3 H -9.511 0.268 -3.412 1.00 . A A . 6 ASN HB3 1 1 12 2497 1 1 6 ASN HD21 H -11.617 0.447 -1.540 1.00 . A A . 6 ASN HD21 1 1 12 2498 1 1 6 ASN HD22 H -12.868 1.409 -2.240 1.00 . A A . 6 ASN HD22 1 1 12 2499 1 1 6 ASN N N -8.012 1.766 -1.106 1.00 . A A . 6 ASN N 1 1 12 2500 1 1 6 ASN ND2 N -11.935 1.119 -2.178 1.00 . A A . 6 ASN ND2 1 1 12 2501 1 1 6 ASN O O -9.390 -1.352 -1.950 1.00 . A A . 6 ASN O 1 1 12 2502 1 1 6 ASN OD1 O -11.363 2.521 -3.836 1.00 . A A . 6 ASN OD1 1 1 12 2503 1 1 7 GLY C C -7.009 -2.838 -0.274 1.00 . A A . 7 GLY C 1 1 12 2504 1 1 7 GLY CA C -8.242 -2.229 0.371 1.00 . A A . 7 GLY CA 1 1 12 2505 1 1 7 GLY H H -8.175 -0.132 0.646 1.00 . A A . 7 GLY H 1 1 12 2506 1 1 7 GLY HA2 H -8.148 -2.306 1.443 1.00 . A A . 7 GLY HA2 1 1 12 2507 1 1 7 GLY HA3 H -9.110 -2.793 0.055 1.00 . A A . 7 GLY HA3 1 1 12 2508 1 1 7 GLY N N -8.445 -0.837 0.021 1.00 . A A . 7 GLY N 1 1 12 2509 1 1 7 GLY O O -6.894 -4.061 -0.360 1.00 . A A . 7 GLY O 1 1 12 2510 1 1 8 LYS C C -3.628 -1.771 -0.836 1.00 . A A . 8 LYS C 1 1 12 2511 1 1 8 LYS CA C -4.866 -2.490 -1.365 1.00 . A A . 8 LYS CA 1 1 12 2512 1 1 8 LYS CB C -4.956 -2.320 -2.882 1.00 . A A . 8 LYS CB 1 1 12 2513 1 1 8 LYS CD C -4.021 -4.516 -3.677 1.00 . A A . 8 LYS CD 1 1 12 2514 1 1 8 LYS CE C -2.821 -5.247 -3.097 1.00 . A A . 8 LYS CE 1 1 12 2515 1 1 8 LYS CG C -3.831 -3.007 -3.639 1.00 . A A . 8 LYS CG 1 1 12 2516 1 1 8 LYS H H -6.222 -1.031 -0.636 1.00 . A A . 8 LYS H 1 1 12 2517 1 1 8 LYS HA H -4.778 -3.542 -1.137 1.00 . A A . 8 LYS HA 1 1 12 2518 1 1 8 LYS HB2 H -5.894 -2.732 -3.224 1.00 . A A . 8 LYS HB2 1 1 12 2519 1 1 8 LYS HB3 H -4.928 -1.266 -3.117 1.00 . A A . 8 LYS HB3 1 1 12 2520 1 1 8 LYS HD2 H -4.898 -4.774 -3.102 1.00 . A A . 8 LYS HD2 1 1 12 2521 1 1 8 LYS HD3 H -4.158 -4.825 -4.703 1.00 . A A . 8 LYS HD3 1 1 12 2522 1 1 8 LYS HE2 H -2.197 -5.589 -3.909 1.00 . A A . 8 LYS HE2 1 1 12 2523 1 1 8 LYS HE3 H -2.261 -4.560 -2.479 1.00 . A A . 8 LYS HE3 1 1 12 2524 1 1 8 LYS HG2 H -3.810 -2.632 -4.652 1.00 . A A . 8 LYS HG2 1 1 12 2525 1 1 8 LYS HG3 H -2.893 -2.782 -3.151 1.00 . A A . 8 LYS HG3 1 1 12 2526 1 1 8 LYS HZ1 H -2.546 -7.195 -2.395 1.00 . A A . 8 LYS HZ1 1 1 12 2527 1 1 8 LYS HZ2 H -4.169 -6.751 -2.566 1.00 . A A . 8 LYS HZ2 1 1 12 2528 1 1 8 LYS HZ3 H -3.263 -6.155 -1.269 1.00 . A A . 8 LYS HZ3 1 1 12 2529 1 1 8 LYS N N -6.084 -1.997 -0.729 1.00 . A A . 8 LYS N 1 1 12 2530 1 1 8 LYS NZ N -3.228 -6.419 -2.274 1.00 . A A . 8 LYS NZ 1 1 12 2531 1 1 8 LYS O O -3.643 -0.561 -0.616 1.00 . A A . 8 LYS O 1 1 12 2532 1 1 9 TRP C C -0.327 -1.700 -1.275 1.00 . A A . 9 TRP C 1 1 12 2533 1 1 9 TRP CA C -1.301 -1.981 -0.136 1.00 . A A . 9 TRP CA 1 1 12 2534 1 1 9 TRP CB C -0.674 -2.965 0.838 1.00 . A A . 9 TRP CB 1 1 12 2535 1 1 9 TRP CD1 C -1.683 -3.698 3.016 1.00 . A A . 9 TRP CD1 1 1 12 2536 1 1 9 TRP CD2 C -0.993 -1.591 3.013 1.00 . A A . 9 TRP CD2 1 1 12 2537 1 1 9 TRP CE2 C -1.520 -1.872 4.283 1.00 . A A . 9 TRP CE2 1 1 12 2538 1 1 9 TRP CE3 C -0.491 -0.324 2.752 1.00 . A A . 9 TRP CE3 1 1 12 2539 1 1 9 TRP CG C -1.110 -2.772 2.236 1.00 . A A . 9 TRP CG 1 1 12 2540 1 1 9 TRP CH2 C -1.051 0.322 5.010 1.00 . A A . 9 TRP CH2 1 1 12 2541 1 1 9 TRP CZ2 C -1.555 -0.920 5.297 1.00 . A A . 9 TRP CZ2 1 1 12 2542 1 1 9 TRP CZ3 C -0.523 0.621 3.750 1.00 . A A . 9 TRP CZ3 1 1 12 2543 1 1 9 TRP H H -2.609 -3.490 -0.826 1.00 . A A . 9 TRP H 1 1 12 2544 1 1 9 TRP HA H -1.514 -1.059 0.386 1.00 . A A . 9 TRP HA 1 1 12 2545 1 1 9 TRP HB2 H -0.927 -3.959 0.546 1.00 . A A . 9 TRP HB2 1 1 12 2546 1 1 9 TRP HB3 H 0.381 -2.870 0.819 1.00 . A A . 9 TRP HB3 1 1 12 2547 1 1 9 TRP HD1 H -1.894 -4.688 2.678 1.00 . A A . 9 TRP HD1 1 1 12 2548 1 1 9 TRP HE1 H -2.353 -3.660 5.011 1.00 . A A . 9 TRP HE1 1 1 12 2549 1 1 9 TRP HE3 H -0.076 -0.079 1.787 1.00 . A A . 9 TRP HE3 1 1 12 2550 1 1 9 TRP HH2 H -1.047 1.092 5.761 1.00 . A A . 9 TRP HH2 1 1 12 2551 1 1 9 TRP HZ2 H -1.959 -1.136 6.275 1.00 . A A . 9 TRP HZ2 1 1 12 2552 1 1 9 TRP HZ3 H -0.144 1.610 3.560 1.00 . A A . 9 TRP HZ3 1 1 12 2553 1 1 9 TRP N N -2.555 -2.530 -0.637 1.00 . A A . 9 TRP N 1 1 12 2554 1 1 9 TRP NE1 N -1.940 -3.178 4.264 1.00 . A A . 9 TRP NE1 1 1 12 2555 1 1 9 TRP O O -0.242 -2.465 -2.235 1.00 . A A . 9 TRP O 1 1 12 2556 1 1 10 THR C C 2.747 0.033 -1.514 1.00 . A A . 10 THR C 1 1 12 2557 1 1 10 THR CA C 1.392 -0.227 -2.162 1.00 . A A . 10 THR CA 1 1 12 2558 1 1 10 THR CB C 0.925 1.012 -2.928 1.00 . A A . 10 THR CB 1 1 12 2559 1 1 10 THR CG2 C 0.974 0.833 -4.429 1.00 . A A . 10 THR CG2 1 1 12 2560 1 1 10 THR H H 0.304 -0.042 -0.358 1.00 . A A . 10 THR H 1 1 12 2561 1 1 10 THR HA H 1.490 -1.052 -2.853 1.00 . A A . 10 THR HA 1 1 12 2562 1 1 10 THR HB H 1.565 1.845 -2.674 1.00 . A A . 10 THR HB 1 1 12 2563 1 1 10 THR HG1 H -1.005 0.677 -2.910 1.00 . A A . 10 THR HG1 1 1 12 2564 1 1 10 THR HG21 H 1.724 1.488 -4.847 1.00 . A A . 10 THR HG21 1 1 12 2565 1 1 10 THR HG22 H 0.010 1.072 -4.852 1.00 . A A . 10 THR HG22 1 1 12 2566 1 1 10 THR HG23 H 1.224 -0.193 -4.660 1.00 . A A . 10 THR HG23 1 1 12 2567 1 1 10 THR N N 0.413 -0.605 -1.153 1.00 . A A . 10 THR N 1 1 12 2568 1 1 10 THR O O 2.863 0.855 -0.605 1.00 . A A . 10 THR O 1 1 12 2569 1 1 10 THR OG1 O -0.406 1.350 -2.579 1.00 . A A . 10 THR OG1 1 1 12 2570 1 1 11 TRP C C 5.890 0.549 -2.196 1.00 . A A . 11 TRP C 1 1 12 2571 1 1 11 TRP CA C 5.110 -0.520 -1.439 1.00 . A A . 11 TRP CA 1 1 12 2572 1 1 11 TRP CB C 5.862 -1.850 -1.489 1.00 . A A . 11 TRP CB 1 1 12 2573 1 1 11 TRP CD1 C 8.409 -2.025 -1.717 1.00 . A A . 11 TRP CD1 1 1 12 2574 1 1 11 TRP CD2 C 7.709 -1.331 0.292 1.00 . A A . 11 TRP CD2 1 1 12 2575 1 1 11 TRP CE2 C 9.116 -1.384 0.301 1.00 . A A . 11 TRP CE2 1 1 12 2576 1 1 11 TRP CE3 C 7.043 -0.920 1.449 1.00 . A A . 11 TRP CE3 1 1 12 2577 1 1 11 TRP CG C 7.277 -1.748 -1.007 1.00 . A A . 11 TRP CG 1 1 12 2578 1 1 11 TRP CH2 C 9.187 -0.640 2.541 1.00 . A A . 11 TRP CH2 1 1 12 2579 1 1 11 TRP CZ2 C 9.866 -1.040 1.423 1.00 . A A . 11 TRP CZ2 1 1 12 2580 1 1 11 TRP CZ3 C 7.788 -0.579 2.561 1.00 . A A . 11 TRP CZ3 1 1 12 2581 1 1 11 TRP H H 3.614 -1.319 -2.704 1.00 . A A . 11 TRP H 1 1 12 2582 1 1 11 TRP HA H 5.013 -0.214 -0.408 1.00 . A A . 11 TRP HA 1 1 12 2583 1 1 11 TRP HB2 H 5.348 -2.569 -0.868 1.00 . A A . 11 TRP HB2 1 1 12 2584 1 1 11 TRP HB3 H 5.880 -2.208 -2.508 1.00 . A A . 11 TRP HB3 1 1 12 2585 1 1 11 TRP HD1 H 8.416 -2.364 -2.742 1.00 . A A . 11 TRP HD1 1 1 12 2586 1 1 11 TRP HE1 H 10.449 -1.941 -1.220 1.00 . A A . 11 TRP HE1 1 1 12 2587 1 1 11 TRP HE3 H 5.965 -0.867 1.483 1.00 . A A . 11 TRP HE3 1 1 12 2588 1 1 11 TRP HH2 H 9.728 -0.364 3.434 1.00 . A A . 11 TRP HH2 1 1 12 2589 1 1 11 TRP HZ2 H 10.946 -1.082 1.424 1.00 . A A . 11 TRP HZ2 1 1 12 2590 1 1 11 TRP HZ3 H 7.289 -0.258 3.462 1.00 . A A . 11 TRP HZ3 1 1 12 2591 1 1 11 TRP N N 3.767 -0.675 -1.982 1.00 . A A . 11 TRP N 1 1 12 2592 1 1 11 TRP NE1 N 9.520 -1.811 -0.937 1.00 . A A . 11 TRP NE1 1 1 12 2593 1 1 11 TRP O O 5.638 0.799 -3.375 1.00 . A A . 11 TRP O 1 1 12 2594 1 1 12 LYS C C 8.837 2.575 -1.210 1.00 . A A . 12 LYS C 1 1 12 2595 1 1 12 LYS CA C 7.664 2.213 -2.116 1.00 . A A . 12 LYS CA 1 1 12 2596 1 1 12 LYS CB C 6.820 3.457 -2.406 1.00 . A A . 12 LYS CB 1 1 12 2597 1 1 12 LYS CD C 5.263 4.497 -4.082 1.00 . A A . 12 LYS CD 1 1 12 2598 1 1 12 LYS CE C 5.432 5.482 -5.228 1.00 . A A . 12 LYS CE 1 1 12 2599 1 1 12 LYS CG C 6.513 3.655 -3.881 1.00 . A A . 12 LYS CG 1 1 12 2600 1 1 12 LYS H H 6.996 0.927 -0.573 1.00 . A A . 12 LYS H 1 1 12 2601 1 1 12 LYS HA H 8.050 1.826 -3.047 1.00 . A A . 12 LYS HA 1 1 12 2602 1 1 12 LYS HB2 H 5.883 3.374 -1.874 1.00 . A A . 12 LYS HB2 1 1 12 2603 1 1 12 LYS HB3 H 7.348 4.330 -2.051 1.00 . A A . 12 LYS HB3 1 1 12 2604 1 1 12 LYS HD2 H 4.432 3.844 -4.303 1.00 . A A . 12 LYS HD2 1 1 12 2605 1 1 12 LYS HD3 H 5.060 5.045 -3.174 1.00 . A A . 12 LYS HD3 1 1 12 2606 1 1 12 LYS HE2 H 4.987 6.424 -4.944 1.00 . A A . 12 LYS HE2 1 1 12 2607 1 1 12 LYS HE3 H 6.487 5.624 -5.411 1.00 . A A . 12 LYS HE3 1 1 12 2608 1 1 12 LYS HG2 H 7.349 4.152 -4.350 1.00 . A A . 12 LYS HG2 1 1 12 2609 1 1 12 LYS HG3 H 6.363 2.688 -4.340 1.00 . A A . 12 LYS HG3 1 1 12 2610 1 1 12 LYS HZ1 H 5.157 5.518 -7.298 1.00 . A A . 12 LYS HZ1 1 1 12 2611 1 1 12 LYS HZ2 H 3.756 5.145 -6.428 1.00 . A A . 12 LYS HZ2 1 1 12 2612 1 1 12 LYS HZ3 H 4.972 3.984 -6.609 1.00 . A A . 12 LYS HZ3 1 1 12 2613 1 1 12 LYS N N 6.841 1.174 -1.510 1.00 . A A . 12 LYS N 1 1 12 2614 1 1 12 LYS NZ N 4.784 4.999 -6.478 1.00 . A A . 12 LYS NZ 1 1 12 2615 1 1 12 LYS O O 8.657 3.203 -0.167 1.00 . A A . 12 LYS O 1 1 12 2616 1 1 13 NH2 N N 10.023 2.076 -1.536 1.00 . A A . 13 NH2 N 1 1 13 2617 1 1 1 SER C C 5.487 1.927 3.243 1.00 . A A . 1 SER C 1 1 13 2618 1 1 1 SER CA C 6.456 2.578 4.225 1.00 . A A . 1 SER CA 1 1 13 2619 1 1 1 SER CB C 5.791 3.772 4.912 1.00 . A A . 1 SER CB 1 1 13 2620 1 1 1 SER H1 H 8.392 3.274 4.261 1.00 . A A . 1 SER H1 1 1 13 2621 1 1 1 SER H2 H 7.429 3.900 2.985 1.00 . A A . 1 SER H2 1 1 13 2622 1 1 1 SER H3 H 8.013 2.288 2.912 1.00 . A A . 1 SER H3 1 1 13 2623 1 1 1 SER HA H 6.742 1.851 4.971 1.00 . A A . 1 SER HA 1 1 13 2624 1 1 1 SER HB2 H 6.478 4.203 5.625 1.00 . A A . 1 SER HB2 1 1 13 2625 1 1 1 SER HB3 H 5.531 4.512 4.170 1.00 . A A . 1 SER HB3 1 1 13 2626 1 1 1 SER HG H 3.848 3.757 5.158 1.00 . A A . 1 SER HG 1 1 13 2627 1 1 1 SER N N 7.683 3.053 3.533 1.00 . A A . 1 SER N 1 1 13 2628 1 1 1 SER O O 5.819 1.716 2.077 1.00 . A A . 1 SER O 1 1 13 2629 1 1 1 SER OG O 4.614 3.377 5.595 1.00 . A A . 1 SER OG 1 1 13 2630 1 1 2 TRP C C 2.143 1.964 2.581 1.00 . A A . 2 TRP C 1 1 13 2631 1 1 2 TRP CA C 3.271 0.986 2.887 1.00 . A A . 2 TRP CA 1 1 13 2632 1 1 2 TRP CB C 2.727 -0.271 3.571 1.00 . A A . 2 TRP CB 1 1 13 2633 1 1 2 TRP CD1 C 4.498 -2.102 3.852 1.00 . A A . 2 TRP CD1 1 1 13 2634 1 1 2 TRP CD2 C 3.281 -2.275 1.981 1.00 . A A . 2 TRP CD2 1 1 13 2635 1 1 2 TRP CE2 C 4.221 -3.323 2.003 1.00 . A A . 2 TRP CE2 1 1 13 2636 1 1 2 TRP CE3 C 2.403 -2.183 0.899 1.00 . A A . 2 TRP CE3 1 1 13 2637 1 1 2 TRP CG C 3.477 -1.504 3.172 1.00 . A A . 2 TRP CG 1 1 13 2638 1 1 2 TRP CH2 C 3.436 -4.144 -0.069 1.00 . A A . 2 TRP CH2 1 1 13 2639 1 1 2 TRP CZ2 C 4.307 -4.266 0.981 1.00 . A A . 2 TRP CZ2 1 1 13 2640 1 1 2 TRP CZ3 C 2.489 -3.113 -0.110 1.00 . A A . 2 TRP CZ3 1 1 13 2641 1 1 2 TRP H H 4.083 1.805 4.661 1.00 . A A . 2 TRP H 1 1 13 2642 1 1 2 TRP HA H 3.741 0.700 1.957 1.00 . A A . 2 TRP HA 1 1 13 2643 1 1 2 TRP HB2 H 2.804 -0.157 4.643 1.00 . A A . 2 TRP HB2 1 1 13 2644 1 1 2 TRP HB3 H 1.692 -0.403 3.303 1.00 . A A . 2 TRP HB3 1 1 13 2645 1 1 2 TRP HD1 H 4.884 -1.753 4.799 1.00 . A A . 2 TRP HD1 1 1 13 2646 1 1 2 TRP HE1 H 5.680 -3.788 3.438 1.00 . A A . 2 TRP HE1 1 1 13 2647 1 1 2 TRP HE3 H 1.651 -1.411 0.847 1.00 . A A . 2 TRP HE3 1 1 13 2648 1 1 2 TRP HH2 H 3.467 -4.852 -0.884 1.00 . A A . 2 TRP HH2 1 1 13 2649 1 1 2 TRP HZ2 H 5.032 -5.066 1.000 1.00 . A A . 2 TRP HZ2 1 1 13 2650 1 1 2 TRP HZ3 H 1.820 -3.041 -0.953 1.00 . A A . 2 TRP HZ3 1 1 13 2651 1 1 2 TRP N N 4.288 1.612 3.723 1.00 . A A . 2 TRP N 1 1 13 2652 1 1 2 TRP NE1 N 4.952 -3.196 3.156 1.00 . A A . 2 TRP NE1 1 1 13 2653 1 1 2 TRP O O 1.854 2.856 3.378 1.00 . A A . 2 TRP O 1 1 13 2654 1 1 3 THR C C -0.896 1.923 0.910 1.00 . A A . 3 THR C 1 1 13 2655 1 1 3 THR CA C 0.416 2.688 1.030 1.00 . A A . 3 THR CA 1 1 13 2656 1 1 3 THR CB C 0.741 3.375 -0.298 1.00 . A A . 3 THR CB 1 1 13 2657 1 1 3 THR CG2 C 0.285 4.817 -0.354 1.00 . A A . 3 THR CG2 1 1 13 2658 1 1 3 THR H H 1.779 1.069 0.818 1.00 . A A . 3 THR H 1 1 13 2659 1 1 3 THR HA H 0.310 3.441 1.797 1.00 . A A . 3 THR HA 1 1 13 2660 1 1 3 THR HB H 0.249 2.841 -1.098 1.00 . A A . 3 THR HB 1 1 13 2661 1 1 3 THR HG1 H 2.368 2.553 -1.017 1.00 . A A . 3 THR HG1 1 1 13 2662 1 1 3 THR HG21 H -0.395 4.947 -1.182 1.00 . A A . 3 THR HG21 1 1 13 2663 1 1 3 THR HG22 H 1.143 5.460 -0.486 1.00 . A A . 3 THR HG22 1 1 13 2664 1 1 3 THR HG23 H -0.217 5.071 0.568 1.00 . A A . 3 THR HG23 1 1 13 2665 1 1 3 THR N N 1.508 1.799 1.421 1.00 . A A . 3 THR N 1 1 13 2666 1 1 3 THR O O -1.012 0.988 0.122 1.00 . A A . 3 THR O 1 1 13 2667 1 1 3 THR OG1 O 2.136 3.356 -0.544 1.00 . A A . 3 THR OG1 1 1 13 2668 1 1 4 TRP C C -4.142 2.434 0.759 1.00 . A A . 4 TRP C 1 1 13 2669 1 1 4 TRP CA C -3.190 1.686 1.688 1.00 . A A . 4 TRP CA 1 1 13 2670 1 1 4 TRP CB C -3.756 1.656 3.109 1.00 . A A . 4 TRP CB 1 1 13 2671 1 1 4 TRP CD1 C -6.025 0.924 3.970 1.00 . A A . 4 TRP CD1 1 1 13 2672 1 1 4 TRP CD2 C -4.901 -0.659 2.893 1.00 . A A . 4 TRP CD2 1 1 13 2673 1 1 4 TRP CE2 C -6.128 -1.200 3.303 1.00 . A A . 4 TRP CE2 1 1 13 2674 1 1 4 TRP CE3 C -4.008 -1.451 2.199 1.00 . A A . 4 TRP CE3 1 1 13 2675 1 1 4 TRP CG C -4.865 0.690 3.316 1.00 . A A . 4 TRP CG 1 1 13 2676 1 1 4 TRP CH2 C -5.581 -3.286 2.343 1.00 . A A . 4 TRP CH2 1 1 13 2677 1 1 4 TRP CZ2 C -6.483 -2.518 3.033 1.00 . A A . 4 TRP CZ2 1 1 13 2678 1 1 4 TRP CZ3 C -4.349 -2.762 1.928 1.00 . A A . 4 TRP CZ3 1 1 13 2679 1 1 4 TRP H H -1.727 3.084 2.305 1.00 . A A . 4 TRP H 1 1 13 2680 1 1 4 TRP HA H -3.066 0.678 1.330 1.00 . A A . 4 TRP HA 1 1 13 2681 1 1 4 TRP HB2 H -2.982 1.407 3.805 1.00 . A A . 4 TRP HB2 1 1 13 2682 1 1 4 TRP HB3 H -4.123 2.621 3.339 1.00 . A A . 4 TRP HB3 1 1 13 2683 1 1 4 TRP HD1 H -6.276 1.868 4.417 1.00 . A A . 4 TRP HD1 1 1 13 2684 1 1 4 TRP HE1 H -7.697 -0.292 4.364 1.00 . A A . 4 TRP HE1 1 1 13 2685 1 1 4 TRP HE3 H -3.060 -1.048 1.883 1.00 . A A . 4 TRP HE3 1 1 13 2686 1 1 4 TRP HH2 H -5.811 -4.315 2.113 1.00 . A A . 4 TRP HH2 1 1 13 2687 1 1 4 TRP HZ2 H -7.430 -2.929 3.344 1.00 . A A . 4 TRP HZ2 1 1 13 2688 1 1 4 TRP HZ3 H -3.663 -3.397 1.387 1.00 . A A . 4 TRP HZ3 1 1 13 2689 1 1 4 TRP N N -1.882 2.330 1.698 1.00 . A A . 4 TRP N 1 1 13 2690 1 1 4 TRP NE1 N -6.807 -0.208 3.963 1.00 . A A . 4 TRP NE1 1 1 13 2691 1 1 4 TRP O O -4.383 3.628 0.937 1.00 . A A . 4 TRP O 1 1 13 2692 1 1 5 GLU C C -6.743 1.417 -1.557 1.00 . A A . 5 GLU C 1 1 13 2693 1 1 5 GLU CA C -5.588 2.348 -1.193 1.00 . A A . 5 GLU CA 1 1 13 2694 1 1 5 GLU CB C -4.832 2.752 -2.460 1.00 . A A . 5 GLU CB 1 1 13 2695 1 1 5 GLU CD C -4.805 5.277 -2.395 1.00 . A A . 5 GLU CD 1 1 13 2696 1 1 5 GLU CG C -5.341 4.039 -3.087 1.00 . A A . 5 GLU CG 1 1 13 2697 1 1 5 GLU H H -4.442 0.786 -0.337 1.00 . A A . 5 GLU H 1 1 13 2698 1 1 5 GLU HA H -5.994 3.236 -0.734 1.00 . A A . 5 GLU HA 1 1 13 2699 1 1 5 GLU HB2 H -3.789 2.884 -2.215 1.00 . A A . 5 GLU HB2 1 1 13 2700 1 1 5 GLU HB3 H -4.925 1.961 -3.189 1.00 . A A . 5 GLU HB3 1 1 13 2701 1 1 5 GLU HG2 H -5.037 4.065 -4.123 1.00 . A A . 5 GLU HG2 1 1 13 2702 1 1 5 GLU HG3 H -6.420 4.051 -3.029 1.00 . A A . 5 GLU HG3 1 1 13 2703 1 1 5 GLU N N -4.674 1.732 -0.238 1.00 . A A . 5 GLU N 1 1 13 2704 1 1 5 GLU O O -6.545 0.377 -2.185 1.00 . A A . 5 GLU O 1 1 13 2705 1 1 5 GLU OE1 O -3.660 5.230 -1.898 1.00 . A A . 5 GLU OE1 1 1 13 2706 1 1 5 GLU OE2 O -5.529 6.293 -2.350 1.00 . A A . 5 GLU OE2 1 1 13 2707 1 1 6 ASN C C -8.994 -0.443 -1.156 1.00 . A A . 6 ASN C 1 1 13 2708 1 1 6 ASN CA C -9.159 1.045 -1.473 1.00 . A A . 6 ASN CA 1 1 13 2709 1 1 6 ASN CB C -9.544 1.228 -2.943 1.00 . A A . 6 ASN CB 1 1 13 2710 1 1 6 ASN CG C -10.601 2.297 -3.126 1.00 . A A . 6 ASN CG 1 1 13 2711 1 1 6 ASN H H -8.041 2.664 -0.693 1.00 . A A . 6 ASN H 1 1 13 2712 1 1 6 ASN HA H -9.955 1.439 -0.860 1.00 . A A . 6 ASN HA 1 1 13 2713 1 1 6 ASN HB2 H -8.666 1.515 -3.507 1.00 . A A . 6 ASN HB2 1 1 13 2714 1 1 6 ASN HB3 H -9.931 0.295 -3.330 1.00 . A A . 6 ASN HB3 1 1 13 2715 1 1 6 ASN HD21 H -11.717 1.467 -1.706 1.00 . A A . 6 ASN HD21 1 1 13 2716 1 1 6 ASN HD22 H -12.368 2.889 -2.436 1.00 . A A . 6 ASN HD22 1 1 13 2717 1 1 6 ASN N N -7.953 1.816 -1.176 1.00 . A A . 6 ASN N 1 1 13 2718 1 1 6 ASN ND2 N -11.671 2.208 -2.345 1.00 . A A . 6 ASN ND2 1 1 13 2719 1 1 6 ASN O O -9.374 -1.301 -1.954 1.00 . A A . 6 ASN O 1 1 13 2720 1 1 6 ASN OD1 O -10.459 3.193 -3.959 1.00 . A A . 6 ASN OD1 1 1 13 2721 1 1 7 GLY C C -7.047 -2.786 -0.211 1.00 . A A . 7 GLY C 1 1 13 2722 1 1 7 GLY CA C -8.272 -2.134 0.405 1.00 . A A . 7 GLY CA 1 1 13 2723 1 1 7 GLY H H -8.171 -0.032 0.625 1.00 . A A . 7 GLY H 1 1 13 2724 1 1 7 GLY HA2 H -8.189 -2.183 1.480 1.00 . A A . 7 GLY HA2 1 1 13 2725 1 1 7 GLY HA3 H -9.150 -2.690 0.099 1.00 . A A . 7 GLY HA3 1 1 13 2726 1 1 7 GLY N N -8.446 -0.748 0.015 1.00 . A A . 7 GLY N 1 1 13 2727 1 1 7 GLY O O -6.950 -4.013 -0.248 1.00 . A A . 7 GLY O 1 1 13 2728 1 1 8 LYS C C -3.654 -1.789 -0.813 1.00 . A A . 8 LYS C 1 1 13 2729 1 1 8 LYS CA C -4.901 -2.513 -1.315 1.00 . A A . 8 LYS CA 1 1 13 2730 1 1 8 LYS CB C -5.001 -2.398 -2.836 1.00 . A A . 8 LYS CB 1 1 13 2731 1 1 8 LYS CD C -3.748 -4.594 -3.047 1.00 . A A . 8 LYS CD 1 1 13 2732 1 1 8 LYS CE C -5.071 -5.332 -2.880 1.00 . A A . 8 LYS CE 1 1 13 2733 1 1 8 LYS CG C -3.935 -3.180 -3.591 1.00 . A A . 8 LYS CG 1 1 13 2734 1 1 8 LYS H H -6.233 -1.009 -0.653 1.00 . A A . 8 LYS H 1 1 13 2735 1 1 8 LYS HA H -4.828 -3.556 -1.048 1.00 . A A . 8 LYS HA 1 1 13 2736 1 1 8 LYS HB2 H -5.969 -2.757 -3.149 1.00 . A A . 8 LYS HB2 1 1 13 2737 1 1 8 LYS HB3 H -4.911 -1.357 -3.110 1.00 . A A . 8 LYS HB3 1 1 13 2738 1 1 8 LYS HD2 H -3.128 -5.150 -3.733 1.00 . A A . 8 LYS HD2 1 1 13 2739 1 1 8 LYS HD3 H -3.257 -4.537 -2.089 1.00 . A A . 8 LYS HD3 1 1 13 2740 1 1 8 LYS HE2 H -5.877 -4.674 -3.165 1.00 . A A . 8 LYS HE2 1 1 13 2741 1 1 8 LYS HE3 H -5.068 -6.196 -3.527 1.00 . A A . 8 LYS HE3 1 1 13 2742 1 1 8 LYS HG2 H -4.223 -3.243 -4.628 1.00 . A A . 8 LYS HG2 1 1 13 2743 1 1 8 LYS HG3 H -2.999 -2.648 -3.510 1.00 . A A . 8 LYS HG3 1 1 13 2744 1 1 8 LYS HZ1 H -4.472 -5.512 -0.881 1.00 . A A . 8 LYS HZ1 1 1 13 2745 1 1 8 LYS HZ2 H -5.395 -6.814 -1.442 1.00 . A A . 8 LYS HZ2 1 1 13 2746 1 1 8 LYS HZ3 H -6.144 -5.341 -1.086 1.00 . A A . 8 LYS HZ3 1 1 13 2747 1 1 8 LYS N N -6.110 -1.978 -0.701 1.00 . A A . 8 LYS N 1 1 13 2748 1 1 8 LYS NZ N -5.285 -5.781 -1.474 1.00 . A A . 8 LYS NZ 1 1 13 2749 1 1 8 LYS O O -3.654 -0.573 -0.638 1.00 . A A . 8 LYS O 1 1 13 2750 1 1 9 TRP C C -0.356 -1.767 -1.239 1.00 . A A . 9 TRP C 1 1 13 2751 1 1 9 TRP CA C -1.332 -2.011 -0.094 1.00 . A A . 9 TRP CA 1 1 13 2752 1 1 9 TRP CB C -0.717 -2.985 0.899 1.00 . A A . 9 TRP CB 1 1 13 2753 1 1 9 TRP CD1 C -1.747 -3.668 3.086 1.00 . A A . 9 TRP CD1 1 1 13 2754 1 1 9 TRP CD2 C -1.020 -1.573 3.050 1.00 . A A . 9 TRP CD2 1 1 13 2755 1 1 9 TRP CE2 C -1.555 -1.824 4.324 1.00 . A A . 9 TRP CE2 1 1 13 2756 1 1 9 TRP CE3 C -0.496 -0.319 2.770 1.00 . A A . 9 TRP CE3 1 1 13 2757 1 1 9 TRP CG C -1.155 -2.764 2.293 1.00 . A A . 9 TRP CG 1 1 13 2758 1 1 9 TRP CH2 C -1.050 0.373 5.015 1.00 . A A . 9 TRP CH2 1 1 13 2759 1 1 9 TRP CZ2 C -1.576 -0.854 5.321 1.00 . A A . 9 TRP CZ2 1 1 13 2760 1 1 9 TRP CZ3 C -0.514 0.642 3.752 1.00 . A A . 9 TRP CZ3 1 1 13 2761 1 1 9 TRP H H -2.662 -3.519 -0.732 1.00 . A A . 9 TRP H 1 1 13 2762 1 1 9 TRP HA H -1.533 -1.076 0.410 1.00 . A A . 9 TRP HA 1 1 13 2763 1 1 9 TRP HB2 H -0.981 -3.981 0.623 1.00 . A A . 9 TRP HB2 1 1 13 2764 1 1 9 TRP HB3 H 0.338 -2.902 0.882 1.00 . A A . 9 TRP HB3 1 1 13 2765 1 1 9 TRP HD1 H -1.974 -4.661 2.764 1.00 . A A . 9 TRP HD1 1 1 13 2766 1 1 9 TRP HE1 H -2.420 -3.585 5.079 1.00 . A A . 9 TRP HE1 1 1 13 2767 1 1 9 TRP HE3 H -0.074 -0.098 1.803 1.00 . A A . 9 TRP HE3 1 1 13 2768 1 1 9 TRP HH2 H -1.035 1.156 5.753 1.00 . A A . 9 TRP HH2 1 1 13 2769 1 1 9 TRP HZ2 H -1.986 -1.048 6.302 1.00 . A A . 9 TRP HZ2 1 1 13 2770 1 1 9 TRP HZ3 H -0.118 1.621 3.546 1.00 . A A . 9 TRP HZ3 1 1 13 2771 1 1 9 TRP N N -2.594 -2.555 -0.580 1.00 . A A . 9 TRP N 1 1 13 2772 1 1 9 TRP NE1 N -1.997 -3.123 4.325 1.00 . A A . 9 TRP NE1 1 1 13 2773 1 1 9 TRP O O -0.283 -2.551 -2.185 1.00 . A A . 9 TRP O 1 1 13 2774 1 1 10 THR C C 2.742 -0.083 -1.515 1.00 . A A . 10 THR C 1 1 13 2775 1 1 10 THR CA C 1.384 -0.337 -2.156 1.00 . A A . 10 THR CA 1 1 13 2776 1 1 10 THR CB C 0.933 0.893 -2.948 1.00 . A A . 10 THR CB 1 1 13 2777 1 1 10 THR CG2 C 0.943 0.671 -4.444 1.00 . A A . 10 THR CG2 1 1 13 2778 1 1 10 THR H H 0.300 -0.100 -0.356 1.00 . A A . 10 THR H 1 1 13 2779 1 1 10 THR HA H 1.470 -1.176 -2.830 1.00 . A A . 10 THR HA 1 1 13 2780 1 1 10 THR HB H 1.600 1.715 -2.731 1.00 . A A . 10 THR HB 1 1 13 2781 1 1 10 THR HG1 H -0.990 0.562 -2.774 1.00 . A A . 10 THR HG1 1 1 13 2782 1 1 10 THR HG21 H 1.701 1.293 -4.895 1.00 . A A . 10 THR HG21 1 1 13 2783 1 1 10 THR HG22 H -0.023 0.925 -4.852 1.00 . A A . 10 THR HG22 1 1 13 2784 1 1 10 THR HG23 H 1.160 -0.367 -4.650 1.00 . A A . 10 THR HG23 1 1 13 2785 1 1 10 THR N N 0.400 -0.681 -1.139 1.00 . A A . 10 THR N 1 1 13 2786 1 1 10 THR O O 2.871 0.755 -0.622 1.00 . A A . 10 THR O 1 1 13 2787 1 1 10 THR OG1 O -0.380 1.278 -2.580 1.00 . A A . 10 THR OG1 1 1 13 2788 1 1 11 TRP C C 5.893 0.372 -2.210 1.00 . A A . 11 TRP C 1 1 13 2789 1 1 11 TRP CA C 5.098 -0.668 -1.429 1.00 . A A . 11 TRP CA 1 1 13 2790 1 1 11 TRP CB C 5.830 -2.011 -1.453 1.00 . A A . 11 TRP CB 1 1 13 2791 1 1 11 TRP CD1 C 8.373 -2.228 -1.687 1.00 . A A . 11 TRP CD1 1 1 13 2792 1 1 11 TRP CD2 C 7.691 -1.486 0.312 1.00 . A A . 11 TRP CD2 1 1 13 2793 1 1 11 TRP CE2 C 9.097 -1.560 0.317 1.00 . A A . 11 TRP CE2 1 1 13 2794 1 1 11 TRP CE3 C 7.035 -1.043 1.463 1.00 . A A . 11 TRP CE3 1 1 13 2795 1 1 11 TRP CG C 7.248 -1.921 -0.978 1.00 . A A . 11 TRP CG 1 1 13 2796 1 1 11 TRP CH2 C 9.187 -0.774 2.542 1.00 . A A . 11 TRP CH2 1 1 13 2797 1 1 11 TRP CZ2 C 9.856 -1.206 1.430 1.00 . A A . 11 TRP CZ2 1 1 13 2798 1 1 11 TRP CZ3 C 7.789 -0.692 2.565 1.00 . A A . 11 TRP CZ3 1 1 13 2799 1 1 11 TRP H H 3.589 -1.471 -2.678 1.00 . A A . 11 TRP H 1 1 13 2800 1 1 11 TRP HA H 5.007 -0.339 -0.405 1.00 . A A . 11 TRP HA 1 1 13 2801 1 1 11 TRP HB2 H 5.307 -2.708 -0.815 1.00 . A A . 11 TRP HB2 1 1 13 2802 1 1 11 TRP HB3 H 5.838 -2.392 -2.464 1.00 . A A . 11 TRP HB3 1 1 13 2803 1 1 11 TRP HD1 H 8.371 -2.587 -2.705 1.00 . A A . 11 TRP HD1 1 1 13 2804 1 1 11 TRP HE1 H 10.415 -2.166 -1.198 1.00 . A A . 11 TRP HE1 1 1 13 2805 1 1 11 TRP HE3 H 5.958 -0.972 1.499 1.00 . A A . 11 TRP HE3 1 1 13 2806 1 1 11 TRP HH2 H 9.736 -0.490 3.428 1.00 . A A . 11 TRP HH2 1 1 13 2807 1 1 11 TRP HZ2 H 10.935 -1.264 1.428 1.00 . A A . 11 TRP HZ2 1 1 13 2808 1 1 11 TRP HZ3 H 7.299 -0.346 3.462 1.00 . A A . 11 TRP HZ3 1 1 13 2809 1 1 11 TRP N N 3.753 -0.814 -1.968 1.00 . A A . 11 TRP N 1 1 13 2810 1 1 11 TRP NE1 N 9.490 -2.016 -0.914 1.00 . A A . 11 TRP NE1 1 1 13 2811 1 1 11 TRP O O 5.644 0.600 -3.393 1.00 . A A . 11 TRP O 1 1 13 2812 1 1 12 LYS C C 8.872 2.373 -1.270 1.00 . A A . 12 LYS C 1 1 13 2813 1 1 12 LYS CA C 7.691 2.011 -2.166 1.00 . A A . 12 LYS CA 1 1 13 2814 1 1 12 LYS CB C 6.867 3.263 -2.476 1.00 . A A . 12 LYS CB 1 1 13 2815 1 1 12 LYS CD C 4.827 3.503 -3.928 1.00 . A A . 12 LYS CD 1 1 13 2816 1 1 12 LYS CE C 4.462 4.975 -4.029 1.00 . A A . 12 LYS CE 1 1 13 2817 1 1 12 LYS CG C 6.335 3.304 -3.900 1.00 . A A . 12 LYS CG 1 1 13 2818 1 1 12 LYS H H 7.005 0.768 -0.595 1.00 . A A . 12 LYS H 1 1 13 2819 1 1 12 LYS HA H 8.069 1.600 -3.090 1.00 . A A . 12 LYS HA 1 1 13 2820 1 1 12 LYS HB2 H 6.028 3.304 -1.797 1.00 . A A . 12 LYS HB2 1 1 13 2821 1 1 12 LYS HB3 H 7.486 4.135 -2.321 1.00 . A A . 12 LYS HB3 1 1 13 2822 1 1 12 LYS HD2 H 4.421 2.983 -4.783 1.00 . A A . 12 LYS HD2 1 1 13 2823 1 1 12 LYS HD3 H 4.403 3.097 -3.022 1.00 . A A . 12 LYS HD3 1 1 13 2824 1 1 12 LYS HE2 H 5.296 5.512 -4.455 1.00 . A A . 12 LYS HE2 1 1 13 2825 1 1 12 LYS HE3 H 3.602 5.076 -4.675 1.00 . A A . 12 LYS HE3 1 1 13 2826 1 1 12 LYS HG2 H 6.805 4.121 -4.426 1.00 . A A . 12 LYS HG2 1 1 13 2827 1 1 12 LYS HG3 H 6.575 2.372 -4.390 1.00 . A A . 12 LYS HG3 1 1 13 2828 1 1 12 LYS HZ1 H 3.470 4.946 -2.191 1.00 . A A . 12 LYS HZ1 1 1 13 2829 1 1 12 LYS HZ2 H 3.712 6.500 -2.814 1.00 . A A . 12 LYS HZ2 1 1 13 2830 1 1 12 LYS HZ3 H 5.006 5.653 -2.129 1.00 . A A . 12 LYS HZ3 1 1 13 2831 1 1 12 LYS N N 6.854 0.997 -1.537 1.00 . A A . 12 LYS N 1 1 13 2832 1 1 12 LYS NZ N 4.140 5.559 -2.698 1.00 . A A . 12 LYS NZ 1 1 13 2833 1 1 12 LYS O O 9.209 1.636 -0.343 1.00 . A A . 12 LYS O 1 1 13 2834 1 1 13 NH2 N N 9.431 3.562 -1.462 1.00 . A A . 13 NH2 N 1 1 14 2835 1 1 1 SER C C 5.499 2.060 3.195 1.00 . A A . 1 SER C 1 1 14 2836 1 1 1 SER CA C 6.461 2.699 4.190 1.00 . A A . 1 SER CA 1 1 14 2837 1 1 1 SER CB C 5.776 3.856 4.918 1.00 . A A . 1 SER CB 1 1 14 2838 1 1 1 SER H1 H 8.276 3.668 4.226 1.00 . A A . 1 SER H1 1 1 14 2839 1 1 1 SER H2 H 7.362 3.912 2.794 1.00 . A A . 1 SER H2 1 1 14 2840 1 1 1 SER H3 H 8.158 2.416 3.062 1.00 . A A . 1 SER H3 1 1 14 2841 1 1 1 SER HA H 6.767 1.956 4.912 1.00 . A A . 1 SER HA 1 1 14 2842 1 1 1 SER HB2 H 4.708 3.699 4.915 1.00 . A A . 1 SER HB2 1 1 14 2843 1 1 1 SER HB3 H 6.131 3.898 5.938 1.00 . A A . 1 SER HB3 1 1 14 2844 1 1 1 SER HG H 5.805 5.815 4.869 1.00 . A A . 1 SER HG 1 1 14 2845 1 1 1 SER N N 7.674 3.221 3.506 1.00 . A A . 1 SER N 1 1 14 2846 1 1 1 SER O O 5.814 1.922 2.012 1.00 . A A . 1 SER O 1 1 14 2847 1 1 1 SER OG O 6.056 5.094 4.287 1.00 . A A . 1 SER OG 1 1 14 2848 1 1 2 TRP C C 2.172 2.014 2.551 1.00 . A A . 2 TRP C 1 1 14 2849 1 1 2 TRP CA C 3.316 1.046 2.834 1.00 . A A . 2 TRP CA 1 1 14 2850 1 1 2 TRP CB C 2.789 -0.230 3.495 1.00 . A A . 2 TRP CB 1 1 14 2851 1 1 2 TRP CD1 C 4.589 -2.039 3.732 1.00 . A A . 2 TRP CD1 1 1 14 2852 1 1 2 TRP CD2 C 3.353 -2.207 1.874 1.00 . A A . 2 TRP CD2 1 1 14 2853 1 1 2 TRP CE2 C 4.307 -3.242 1.872 1.00 . A A . 2 TRP CE2 1 1 14 2854 1 1 2 TRP CE3 C 2.462 -2.113 0.802 1.00 . A A . 2 TRP CE3 1 1 14 2855 1 1 2 TRP CG C 3.552 -1.447 3.071 1.00 . A A . 2 TRP CG 1 1 14 2856 1 1 2 TRP CH2 C 3.508 -4.050 -0.200 1.00 . A A . 2 TRP CH2 1 1 14 2857 1 1 2 TRP CZ2 C 4.393 -4.172 0.837 1.00 . A A . 2 TRP CZ2 1 1 14 2858 1 1 2 TRP CZ3 C 2.548 -3.031 -0.219 1.00 . A A . 2 TRP CZ3 1 1 14 2859 1 1 2 TRP H H 4.132 1.808 4.632 1.00 . A A . 2 TRP H 1 1 14 2860 1 1 2 TRP HA H 3.787 0.786 1.898 1.00 . A A . 2 TRP HA 1 1 14 2861 1 1 2 TRP HB2 H 2.869 -0.135 4.569 1.00 . A A . 2 TRP HB2 1 1 14 2862 1 1 2 TRP HB3 H 1.756 -0.370 3.228 1.00 . A A . 2 TRP HB3 1 1 14 2863 1 1 2 TRP HD1 H 4.982 -1.696 4.678 1.00 . A A . 2 TRP HD1 1 1 14 2864 1 1 2 TRP HE1 H 5.789 -3.704 3.284 1.00 . A A . 2 TRP HE1 1 1 14 2865 1 1 2 TRP HE3 H 1.700 -1.351 0.768 1.00 . A A . 2 TRP HE3 1 1 14 2866 1 1 2 TRP HH2 H 3.538 -4.747 -1.024 1.00 . A A . 2 TRP HH2 1 1 14 2867 1 1 2 TRP HZ2 H 5.128 -4.963 0.839 1.00 . A A . 2 TRP HZ2 1 1 14 2868 1 1 2 TRP HZ3 H 1.868 -2.957 -1.053 1.00 . A A . 2 TRP HZ3 1 1 14 2869 1 1 2 TRP N N 4.325 1.671 3.681 1.00 . A A . 2 TRP N 1 1 14 2870 1 1 2 TRP NE1 N 5.050 -3.119 3.017 1.00 . A A . 2 TRP NE1 1 1 14 2871 1 1 2 TRP O O 1.888 2.900 3.357 1.00 . A A . 2 TRP O 1 1 14 2872 1 1 3 THR C C -0.889 1.947 0.911 1.00 . A A . 3 THR C 1 1 14 2873 1 1 3 THR CA C 0.413 2.728 1.033 1.00 . A A . 3 THR CA 1 1 14 2874 1 1 3 THR CB C 0.718 3.441 -0.285 1.00 . A A . 3 THR CB 1 1 14 2875 1 1 3 THR CG2 C -0.139 4.667 -0.515 1.00 . A A . 3 THR CG2 1 1 14 2876 1 1 3 THR H H 1.789 1.124 0.789 1.00 . A A . 3 THR H 1 1 14 2877 1 1 3 THR HA H 0.303 3.466 1.813 1.00 . A A . 3 THR HA 1 1 14 2878 1 1 3 THR HB H 0.541 2.756 -1.102 1.00 . A A . 3 THR HB 1 1 14 2879 1 1 3 THR HG1 H 2.641 3.075 -0.351 1.00 . A A . 3 THR HG1 1 1 14 2880 1 1 3 THR HG21 H -0.604 4.961 0.414 1.00 . A A . 3 THR HG21 1 1 14 2881 1 1 3 THR HG22 H -0.903 4.440 -1.244 1.00 . A A . 3 THR HG22 1 1 14 2882 1 1 3 THR HG23 H 0.479 5.474 -0.880 1.00 . A A . 3 THR HG23 1 1 14 2883 1 1 3 THR N N 1.520 1.849 1.401 1.00 . A A . 3 THR N 1 1 14 2884 1 1 3 THR O O -0.999 1.023 0.109 1.00 . A A . 3 THR O 1 1 14 2885 1 1 3 THR OG1 O 2.073 3.849 -0.332 1.00 . A A . 3 THR OG1 1 1 14 2886 1 1 4 TRP C C -4.145 2.416 0.797 1.00 . A A . 4 TRP C 1 1 14 2887 1 1 4 TRP CA C -3.173 1.668 1.705 1.00 . A A . 4 TRP CA 1 1 14 2888 1 1 4 TRP CB C -3.724 1.608 3.131 1.00 . A A . 4 TRP CB 1 1 14 2889 1 1 4 TRP CD1 C -5.976 0.832 3.998 1.00 . A A . 4 TRP CD1 1 1 14 2890 1 1 4 TRP CD2 C -4.836 -0.721 2.893 1.00 . A A . 4 TRP CD2 1 1 14 2891 1 1 4 TRP CE2 C -6.053 -1.285 3.304 1.00 . A A . 4 TRP CE2 1 1 14 2892 1 1 4 TRP CE3 C -3.937 -1.490 2.183 1.00 . A A . 4 TRP CE3 1 1 14 2893 1 1 4 TRP CG C -4.817 0.624 3.333 1.00 . A A . 4 TRP CG 1 1 14 2894 1 1 4 TRP CH2 C -5.483 -3.349 2.314 1.00 . A A . 4 TRP CH2 1 1 14 2895 1 1 4 TRP CZ2 C -6.390 -2.603 3.019 1.00 . A A . 4 TRP CZ2 1 1 14 2896 1 1 4 TRP CZ3 C -4.261 -2.803 1.896 1.00 . A A . 4 TRP CZ3 1 1 14 2897 1 1 4 TRP H H -1.723 3.075 2.330 1.00 . A A . 4 TRP H 1 1 14 2898 1 1 4 TRP HA H -3.039 0.667 1.330 1.00 . A A . 4 TRP HA 1 1 14 2899 1 1 4 TRP HB2 H -2.940 1.359 3.815 1.00 . A A . 4 TRP HB2 1 1 14 2900 1 1 4 TRP HB3 H -4.102 2.564 3.380 1.00 . A A . 4 TRP HB3 1 1 14 2901 1 1 4 TRP HD1 H -6.237 1.766 4.459 1.00 . A A . 4 TRP HD1 1 1 14 2902 1 1 4 TRP HE1 H -7.628 -0.413 4.388 1.00 . A A . 4 TRP HE1 1 1 14 2903 1 1 4 TRP HE3 H -2.998 -1.069 1.865 1.00 . A A . 4 TRP HE3 1 1 14 2904 1 1 4 TRP HH2 H -5.699 -4.379 2.071 1.00 . A A . 4 TRP HH2 1 1 14 2905 1 1 4 TRP HZ2 H -7.330 -3.033 3.331 1.00 . A A . 4 TRP HZ2 1 1 14 2906 1 1 4 TRP HZ3 H -3.569 -3.420 1.342 1.00 . A A . 4 TRP HZ3 1 1 14 2907 1 1 4 TRP N N -1.874 2.329 1.713 1.00 . A A . 4 TRP N 1 1 14 2908 1 1 4 TRP NE1 N -6.741 -0.312 3.982 1.00 . A A . 4 TRP NE1 1 1 14 2909 1 1 4 TRP O O -4.401 3.604 0.996 1.00 . A A . 4 TRP O 1 1 14 2910 1 1 5 GLU C C -6.756 1.396 -1.506 1.00 . A A . 5 GLU C 1 1 14 2911 1 1 5 GLU CA C -5.611 2.339 -1.141 1.00 . A A . 5 GLU CA 1 1 14 2912 1 1 5 GLU CB C -4.874 2.774 -2.410 1.00 . A A . 5 GLU CB 1 1 14 2913 1 1 5 GLU CD C -5.274 5.192 -3.020 1.00 . A A . 5 GLU CD 1 1 14 2914 1 1 5 GLU CG C -4.347 4.198 -2.349 1.00 . A A . 5 GLU CG 1 1 14 2915 1 1 5 GLU H H -4.433 0.782 -0.321 1.00 . A A . 5 GLU H 1 1 14 2916 1 1 5 GLU HA H -6.024 3.214 -0.664 1.00 . A A . 5 GLU HA 1 1 14 2917 1 1 5 GLU HB2 H -4.038 2.110 -2.572 1.00 . A A . 5 GLU HB2 1 1 14 2918 1 1 5 GLU HB3 H -5.550 2.699 -3.249 1.00 . A A . 5 GLU HB3 1 1 14 2919 1 1 5 GLU HG2 H -4.231 4.481 -1.313 1.00 . A A . 5 GLU HG2 1 1 14 2920 1 1 5 GLU HG3 H -3.386 4.234 -2.841 1.00 . A A . 5 GLU HG3 1 1 14 2921 1 1 5 GLU N N -4.678 1.723 -0.205 1.00 . A A . 5 GLU N 1 1 14 2922 1 1 5 GLU O O -6.548 0.366 -2.147 1.00 . A A . 5 GLU O 1 1 14 2923 1 1 5 GLU OE1 O -5.919 4.819 -4.023 1.00 . A A . 5 GLU OE1 1 1 14 2924 1 1 5 GLU OE2 O -5.356 6.343 -2.544 1.00 . A A . 5 GLU OE2 1 1 14 2925 1 1 6 ASN C C -8.976 -0.499 -1.107 1.00 . A A . 6 ASN C 1 1 14 2926 1 1 6 ASN CA C -9.165 0.989 -1.406 1.00 . A A . 6 ASN CA 1 1 14 2927 1 1 6 ASN CB C -9.565 1.178 -2.871 1.00 . A A . 6 ASN CB 1 1 14 2928 1 1 6 ASN CG C -11.048 1.442 -3.030 1.00 . A A . 6 ASN CG 1 1 14 2929 1 1 6 ASN H H -8.064 2.615 -0.617 1.00 . A A . 6 ASN H 1 1 14 2930 1 1 6 ASN HA H -9.963 1.364 -0.783 1.00 . A A . 6 ASN HA 1 1 14 2931 1 1 6 ASN HB2 H -9.022 2.020 -3.280 1.00 . A A . 6 ASN HB2 1 1 14 2932 1 1 6 ASN HB3 H -9.314 0.284 -3.427 1.00 . A A . 6 ASN HB3 1 1 14 2933 1 1 6 ASN HD21 H -10.975 2.832 -1.610 1.00 . A A . 6 ASN HD21 1 1 14 2934 1 1 6 ASN HD22 H -12.527 2.562 -2.318 1.00 . A A . 6 ASN HD22 1 1 14 2935 1 1 6 ASN N N -7.968 1.774 -1.110 1.00 . A A . 6 ASN N 1 1 14 2936 1 1 6 ASN ND2 N -11.570 2.374 -2.240 1.00 . A A . 6 ASN ND2 1 1 14 2937 1 1 6 ASN O O -9.352 -1.353 -1.912 1.00 . A A . 6 ASN O 1 1 14 2938 1 1 6 ASN OD1 O -11.718 0.817 -3.852 1.00 . A A . 6 ASN OD1 1 1 14 2939 1 1 7 GLY C C -6.990 -2.826 -0.209 1.00 . A A . 7 GLY C 1 1 14 2940 1 1 7 GLY CA C -8.217 -2.198 0.428 1.00 . A A . 7 GLY CA 1 1 14 2941 1 1 7 GLY H H -8.144 -0.098 0.672 1.00 . A A . 7 GLY H 1 1 14 2942 1 1 7 GLY HA2 H -8.121 -2.258 1.502 1.00 . A A . 7 GLY HA2 1 1 14 2943 1 1 7 GLY HA3 H -9.090 -2.762 0.125 1.00 . A A . 7 GLY HA3 1 1 14 2944 1 1 7 GLY N N -8.414 -0.811 0.056 1.00 . A A . 7 GLY N 1 1 14 2945 1 1 7 GLY O O -6.876 -4.050 -0.261 1.00 . A A . 7 GLY O 1 1 14 2946 1 1 8 LYS C C -3.616 -1.776 -0.834 1.00 . A A . 8 LYS C 1 1 14 2947 1 1 8 LYS CA C -4.860 -2.510 -1.331 1.00 . A A . 8 LYS CA 1 1 14 2948 1 1 8 LYS CB C -4.977 -2.378 -2.850 1.00 . A A . 8 LYS CB 1 1 14 2949 1 1 8 LYS CD C -3.694 -4.552 -3.102 1.00 . A A . 8 LYS CD 1 1 14 2950 1 1 8 LYS CE C -5.004 -5.311 -2.934 1.00 . A A . 8 LYS CE 1 1 14 2951 1 1 8 LYS CG C -3.908 -3.133 -3.625 1.00 . A A . 8 LYS CG 1 1 14 2952 1 1 8 LYS H H -6.205 -1.032 -0.637 1.00 . A A . 8 LYS H 1 1 14 2953 1 1 8 LYS HA H -4.770 -3.554 -1.078 1.00 . A A . 8 LYS HA 1 1 14 2954 1 1 8 LYS HB2 H -5.943 -2.749 -3.158 1.00 . A A . 8 LYS HB2 1 1 14 2955 1 1 8 LYS HB3 H -4.907 -1.332 -3.112 1.00 . A A . 8 LYS HB3 1 1 14 2956 1 1 8 LYS HD2 H -3.071 -5.089 -3.801 1.00 . A A . 8 LYS HD2 1 1 14 2957 1 1 8 LYS HD3 H -3.196 -4.499 -2.147 1.00 . A A . 8 LYS HD3 1 1 14 2958 1 1 8 LYS HE2 H -5.822 -4.664 -3.206 1.00 . A A . 8 LYS HE2 1 1 14 2959 1 1 8 LYS HE3 H -4.992 -6.169 -3.590 1.00 . A A . 8 LYS HE3 1 1 14 2960 1 1 8 LYS HG2 H -4.204 -3.188 -4.660 1.00 . A A . 8 LYS HG2 1 1 14 2961 1 1 8 LYS HG3 H -2.979 -2.589 -3.546 1.00 . A A . 8 LYS HG3 1 1 14 2962 1 1 8 LYS HZ1 H -4.386 -5.507 -0.942 1.00 . A A . 8 LYS HZ1 1 1 14 2963 1 1 8 LYS HZ2 H -5.300 -6.813 -1.509 1.00 . A A . 8 LYS HZ2 1 1 14 2964 1 1 8 LYS HZ3 H -6.062 -5.352 -1.131 1.00 . A A . 8 LYS HZ3 1 1 14 2965 1 1 8 LYS N N -6.069 -1.999 -0.698 1.00 . A A . 8 LYS N 1 1 14 2966 1 1 8 LYS NZ N -5.201 -5.778 -1.531 1.00 . A A . 8 LYS NZ 1 1 14 2967 1 1 8 LYS O O -3.630 -0.561 -0.646 1.00 . A A . 8 LYS O 1 1 14 2968 1 1 9 TRP C C -0.326 -1.707 -1.302 1.00 . A A . 9 TRP C 1 1 14 2969 1 1 9 TRP CA C -1.283 -1.977 -0.146 1.00 . A A . 9 TRP CA 1 1 14 2970 1 1 9 TRP CB C -0.643 -2.957 0.826 1.00 . A A . 9 TRP CB 1 1 14 2971 1 1 9 TRP CD1 C -1.635 -3.685 3.016 1.00 . A A . 9 TRP CD1 1 1 14 2972 1 1 9 TRP CD2 C -0.940 -1.579 3.001 1.00 . A A . 9 TRP CD2 1 1 14 2973 1 1 9 TRP CE2 C -1.456 -1.857 4.277 1.00 . A A . 9 TRP CE2 1 1 14 2974 1 1 9 TRP CE3 C -0.438 -0.314 2.733 1.00 . A A . 9 TRP CE3 1 1 14 2975 1 1 9 TRP CG C -1.067 -2.762 2.228 1.00 . A A . 9 TRP CG 1 1 14 2976 1 1 9 TRP CH2 C -0.975 0.338 4.994 1.00 . A A . 9 TRP CH2 1 1 14 2977 1 1 9 TRP CZ2 C -1.478 -0.901 5.289 1.00 . A A . 9 TRP CZ2 1 1 14 2978 1 1 9 TRP CZ3 C -0.459 0.633 3.728 1.00 . A A . 9 TRP CZ3 1 1 14 2979 1 1 9 TRP H H -2.602 -3.494 -0.785 1.00 . A A . 9 TRP H 1 1 14 2980 1 1 9 TRP HA H -1.489 -1.051 0.373 1.00 . A A . 9 TRP HA 1 1 14 2981 1 1 9 TRP HB2 H -0.897 -3.952 0.540 1.00 . A A . 9 TRP HB2 1 1 14 2982 1 1 9 TRP HB3 H 0.410 -2.859 0.798 1.00 . A A . 9 TRP HB3 1 1 14 2983 1 1 9 TRP HD1 H -1.852 -4.677 2.683 1.00 . A A . 9 TRP HD1 1 1 14 2984 1 1 9 TRP HE1 H -2.285 -3.641 5.018 1.00 . A A . 9 TRP HE1 1 1 14 2985 1 1 9 TRP HE3 H -0.032 -0.073 1.764 1.00 . A A . 9 TRP HE3 1 1 14 2986 1 1 9 TRP HH2 H -0.962 1.110 5.743 1.00 . A A . 9 TRP HH2 1 1 14 2987 1 1 9 TRP HZ2 H -1.873 -1.115 6.271 1.00 . A A . 9 TRP HZ2 1 1 14 2988 1 1 9 TRP HZ3 H -0.079 1.621 3.531 1.00 . A A . 9 TRP HZ3 1 1 14 2989 1 1 9 TRP N N -2.544 -2.531 -0.623 1.00 . A A . 9 TRP N 1 1 14 2990 1 1 9 TRP NE1 N -1.878 -3.162 4.265 1.00 . A A . 9 TRP NE1 1 1 14 2991 1 1 9 TRP O O -0.263 -2.475 -2.261 1.00 . A A . 9 TRP O 1 1 14 2992 1 1 10 THR C C 2.758 0.005 -1.607 1.00 . A A . 10 THR C 1 1 14 2993 1 1 10 THR CA C 1.388 -0.250 -2.226 1.00 . A A . 10 THR CA 1 1 14 2994 1 1 10 THR CB C 0.914 0.988 -2.991 1.00 . A A . 10 THR CB 1 1 14 2995 1 1 10 THR CG2 C 0.893 0.783 -4.490 1.00 . A A . 10 THR CG2 1 1 14 2996 1 1 10 THR H H 0.333 -0.049 -0.403 1.00 . A A . 10 THR H 1 1 14 2997 1 1 10 THR HA H 1.468 -1.079 -2.913 1.00 . A A . 10 THR HA 1 1 14 2998 1 1 10 THR HB H 1.582 1.811 -2.780 1.00 . A A . 10 THR HB 1 1 14 2999 1 1 10 THR HG1 H -0.599 2.231 -2.939 1.00 . A A . 10 THR HG1 1 1 14 3000 1 1 10 THR HG21 H -0.084 1.034 -4.874 1.00 . A A . 10 THR HG21 1 1 14 3001 1 1 10 THR HG22 H 1.114 -0.251 -4.713 1.00 . A A . 10 THR HG22 1 1 14 3002 1 1 10 THR HG23 H 1.636 1.417 -4.951 1.00 . A A . 10 THR HG23 1 1 14 3003 1 1 10 THR N N 0.424 -0.616 -1.197 1.00 . A A . 10 THR N 1 1 14 3004 1 1 10 THR O O 2.898 0.830 -0.704 1.00 . A A . 10 THR O 1 1 14 3005 1 1 10 THR OG1 O -0.392 1.361 -2.590 1.00 . A A . 10 THR OG1 1 1 14 3006 1 1 11 TRP C C 5.900 0.476 -2.377 1.00 . A A . 11 TRP C 1 1 14 3007 1 1 11 TRP CA C 5.120 -0.565 -1.581 1.00 . A A . 11 TRP CA 1 1 14 3008 1 1 11 TRP CB C 5.850 -1.908 -1.622 1.00 . A A . 11 TRP CB 1 1 14 3009 1 1 11 TRP CD1 C 8.392 -2.169 -1.820 1.00 . A A . 11 TRP CD1 1 1 14 3010 1 1 11 TRP CD2 C 7.697 -1.389 0.159 1.00 . A A . 11 TRP CD2 1 1 14 3011 1 1 11 TRP CE2 C 9.101 -1.485 0.184 1.00 . A A . 11 TRP CE2 1 1 14 3012 1 1 11 TRP CE3 C 7.033 -0.920 1.296 1.00 . A A . 11 TRP CE3 1 1 14 3013 1 1 11 TRP CG C 7.263 -1.833 -1.130 1.00 . A A . 11 TRP CG 1 1 14 3014 1 1 11 TRP CH2 C 9.175 -0.672 2.400 1.00 . A A . 11 TRP CH2 1 1 14 3015 1 1 11 TRP CZ2 C 9.851 -1.129 1.301 1.00 . A A . 11 TRP CZ2 1 1 14 3016 1 1 11 TRP CZ3 C 7.779 -0.567 2.403 1.00 . A A . 11 TRP CZ3 1 1 14 3017 1 1 11 TRP H H 3.591 -1.357 -2.810 1.00 . A A . 11 TRP H 1 1 14 3018 1 1 11 TRP HA H 5.050 -0.238 -0.555 1.00 . A A . 11 TRP HA 1 1 14 3019 1 1 11 TRP HB2 H 5.319 -2.615 -1.003 1.00 . A A . 11 TRP HB2 1 1 14 3020 1 1 11 TRP HB3 H 5.868 -2.270 -2.640 1.00 . A A . 11 TRP HB3 1 1 14 3021 1 1 11 TRP HD1 H 8.397 -2.543 -2.833 1.00 . A A . 11 TRP HD1 1 1 14 3022 1 1 11 TRP HE1 H 10.429 -2.133 -1.306 1.00 . A A . 11 TRP HE1 1 1 14 3023 1 1 11 TRP HE3 H 5.957 -0.832 1.317 1.00 . A A . 11 TRP HE3 1 1 14 3024 1 1 11 TRP HH2 H 9.717 -0.385 3.289 1.00 . A A . 11 TRP HH2 1 1 14 3025 1 1 11 TRP HZ2 H 10.929 -1.204 1.314 1.00 . A A . 11 TRP HZ2 1 1 14 3026 1 1 11 TRP HZ3 H 7.282 -0.203 3.289 1.00 . A A . 11 TRP HZ3 1 1 14 3027 1 1 11 TRP N N 3.764 -0.712 -2.094 1.00 . A A . 11 TRP N 1 1 14 3028 1 1 11 TRP NE1 N 9.502 -1.964 -1.036 1.00 . A A . 11 TRP NE1 1 1 14 3029 1 1 11 TRP O O 5.638 0.694 -3.560 1.00 . A A . 11 TRP O 1 1 14 3030 1 1 12 LYS C C 8.673 2.740 -1.367 1.00 . A A . 12 LYS C 1 1 14 3031 1 1 12 LYS CA C 7.689 2.131 -2.361 1.00 . A A . 12 LYS CA 1 1 14 3032 1 1 12 LYS CB C 6.813 3.231 -2.966 1.00 . A A . 12 LYS CB 1 1 14 3033 1 1 12 LYS CD C 4.317 3.419 -2.709 1.00 . A A . 12 LYS CD 1 1 14 3034 1 1 12 LYS CE C 4.162 4.211 -3.997 1.00 . A A . 12 LYS CE 1 1 14 3035 1 1 12 LYS CG C 5.670 3.667 -2.061 1.00 . A A . 12 LYS CG 1 1 14 3036 1 1 12 LYS H H 7.025 0.893 -0.775 1.00 . A A . 12 LYS H 1 1 14 3037 1 1 12 LYS HA H 8.246 1.651 -3.152 1.00 . A A . 12 LYS HA 1 1 14 3038 1 1 12 LYS HB2 H 7.430 4.093 -3.171 1.00 . A A . 12 LYS HB2 1 1 14 3039 1 1 12 LYS HB3 H 6.394 2.871 -3.894 1.00 . A A . 12 LYS HB3 1 1 14 3040 1 1 12 LYS HD2 H 4.223 2.367 -2.932 1.00 . A A . 12 LYS HD2 1 1 14 3041 1 1 12 LYS HD3 H 3.540 3.714 -2.020 1.00 . A A . 12 LYS HD3 1 1 14 3042 1 1 12 LYS HE2 H 5.139 4.370 -4.427 1.00 . A A . 12 LYS HE2 1 1 14 3043 1 1 12 LYS HE3 H 3.556 3.639 -4.685 1.00 . A A . 12 LYS HE3 1 1 14 3044 1 1 12 LYS HG2 H 5.723 3.111 -1.138 1.00 . A A . 12 LYS HG2 1 1 14 3045 1 1 12 LYS HG3 H 5.772 4.722 -1.854 1.00 . A A . 12 LYS HG3 1 1 14 3046 1 1 12 LYS HZ1 H 4.241 6.268 -3.645 1.00 . A A . 12 LYS HZ1 1 1 14 3047 1 1 12 LYS HZ2 H 2.930 5.496 -2.905 1.00 . A A . 12 LYS HZ2 1 1 14 3048 1 1 12 LYS HZ3 H 2.911 5.782 -4.572 1.00 . A A . 12 LYS HZ3 1 1 14 3049 1 1 12 LYS N N 6.864 1.114 -1.718 1.00 . A A . 12 LYS N 1 1 14 3050 1 1 12 LYS NZ N 3.516 5.532 -3.763 1.00 . A A . 12 LYS NZ 1 1 14 3051 1 1 12 LYS O O 9.025 3.915 -1.468 1.00 . A A . 12 LYS O 1 1 14 3052 1 1 13 NH2 N N 9.030 1.984 -0.335 1.00 . A A . 13 NH2 N 1 1 15 3053 1 1 1 SER C C 5.544 2.066 3.045 1.00 . A A . 1 SER C 1 1 15 3054 1 1 1 SER CA C 6.599 2.707 3.941 1.00 . A A . 1 SER CA 1 1 15 3055 1 1 1 SER CB C 6.123 4.079 4.419 1.00 . A A . 1 SER CB 1 1 15 3056 1 1 1 SER H1 H 7.753 3.625 2.506 1.00 . A A . 1 SER H1 1 1 15 3057 1 1 1 SER H2 H 8.121 1.969 2.768 1.00 . A A . 1 SER H2 1 1 15 3058 1 1 1 SER H3 H 8.608 3.150 3.914 1.00 . A A . 1 SER H3 1 1 15 3059 1 1 1 SER HA H 6.768 2.071 4.797 1.00 . A A . 1 SER HA 1 1 15 3060 1 1 1 SER HB2 H 5.045 4.080 4.488 1.00 . A A . 1 SER HB2 1 1 15 3061 1 1 1 SER HB3 H 6.546 4.287 5.391 1.00 . A A . 1 SER HB3 1 1 15 3062 1 1 1 SER HG H 6.935 5.815 4.010 1.00 . A A . 1 SER HG 1 1 15 3063 1 1 1 SER N N 7.886 2.878 3.217 1.00 . A A . 1 SER N 1 1 15 3064 1 1 1 SER O O 5.756 1.893 1.845 1.00 . A A . 1 SER O 1 1 15 3065 1 1 1 SER OG O 6.522 5.100 3.520 1.00 . A A . 1 SER OG 1 1 15 3066 1 1 2 TRP C C 2.185 2.083 2.664 1.00 . A A . 2 TRP C 1 1 15 3067 1 1 2 TRP CA C 3.318 1.093 2.892 1.00 . A A . 2 TRP CA 1 1 15 3068 1 1 2 TRP CB C 2.808 -0.143 3.637 1.00 . A A . 2 TRP CB 1 1 15 3069 1 1 2 TRP CD1 C 4.588 -1.959 3.951 1.00 . A A . 2 TRP CD1 1 1 15 3070 1 1 2 TRP CD2 C 3.373 -2.170 2.084 1.00 . A A . 2 TRP CD2 1 1 15 3071 1 1 2 TRP CE2 C 4.318 -3.213 2.123 1.00 . A A . 2 TRP CE2 1 1 15 3072 1 1 2 TRP CE3 C 2.496 -2.100 1.000 1.00 . A A . 2 TRP CE3 1 1 15 3073 1 1 2 TRP CG C 3.564 -1.379 3.260 1.00 . A A . 2 TRP CG 1 1 15 3074 1 1 2 TRP CH2 C 3.536 -4.070 0.065 1.00 . A A . 2 TRP CH2 1 1 15 3075 1 1 2 TRP CZ2 C 4.408 -4.172 1.115 1.00 . A A . 2 TRP CZ2 1 1 15 3076 1 1 2 TRP CZ3 C 2.585 -3.044 0.008 1.00 . A A . 2 TRP CZ3 1 1 15 3077 1 1 2 TRP H H 4.297 1.878 4.596 1.00 . A A . 2 TRP H 1 1 15 3078 1 1 2 TRP HA H 3.709 0.787 1.932 1.00 . A A . 2 TRP HA 1 1 15 3079 1 1 2 TRP HB2 H 2.915 0.011 4.701 1.00 . A A . 2 TRP HB2 1 1 15 3080 1 1 2 TRP HB3 H 1.766 -0.297 3.404 1.00 . A A . 2 TRP HB3 1 1 15 3081 1 1 2 TRP HD1 H 4.972 -1.593 4.891 1.00 . A A . 2 TRP HD1 1 1 15 3082 1 1 2 TRP HE1 H 5.780 -3.645 3.565 1.00 . A A . 2 TRP HE1 1 1 15 3083 1 1 2 TRP HE3 H 1.740 -1.334 0.935 1.00 . A A . 2 TRP HE3 1 1 15 3084 1 1 2 TRP HH2 H 3.569 -4.790 -0.740 1.00 . A A . 2 TRP HH2 1 1 15 3085 1 1 2 TRP HZ2 H 5.136 -4.968 1.147 1.00 . A A . 2 TRP HZ2 1 1 15 3086 1 1 2 TRP HZ3 H 1.915 -2.985 -0.835 1.00 . A A . 2 TRP HZ3 1 1 15 3087 1 1 2 TRP N N 4.407 1.715 3.636 1.00 . A A . 2 TRP N 1 1 15 3088 1 1 2 TRP NE1 N 5.048 -3.062 3.273 1.00 . A A . 2 TRP NE1 1 1 15 3089 1 1 2 TRP O O 1.971 2.986 3.473 1.00 . A A . 2 TRP O 1 1 15 3090 1 1 3 THR C C -0.943 2.039 1.044 1.00 . A A . 3 THR C 1 1 15 3091 1 1 3 THR CA C 0.346 2.818 1.261 1.00 . A A . 3 THR CA 1 1 15 3092 1 1 3 THR CB C 0.660 3.673 0.033 1.00 . A A . 3 THR CB 1 1 15 3093 1 1 3 THR CG2 C 1.211 2.876 -1.125 1.00 . A A . 3 THR CG2 1 1 15 3094 1 1 3 THR H H 1.664 1.172 0.945 1.00 . A A . 3 THR H 1 1 15 3095 1 1 3 THR HA H 0.213 3.469 2.113 1.00 . A A . 3 THR HA 1 1 15 3096 1 1 3 THR HB H 1.397 4.416 0.303 1.00 . A A . 3 THR HB 1 1 15 3097 1 1 3 THR HG1 H -0.249 5.062 -1.005 1.00 . A A . 3 THR HG1 1 1 15 3098 1 1 3 THR HG21 H 2.283 2.999 -1.170 1.00 . A A . 3 THR HG21 1 1 15 3099 1 1 3 THR HG22 H 0.769 3.225 -2.046 1.00 . A A . 3 THR HG22 1 1 15 3100 1 1 3 THR HG23 H 0.975 1.832 -0.985 1.00 . A A . 3 THR HG23 1 1 15 3101 1 1 3 THR N N 1.456 1.916 1.563 1.00 . A A . 3 THR N 1 1 15 3102 1 1 3 THR O O -1.028 1.181 0.165 1.00 . A A . 3 THR O 1 1 15 3103 1 1 3 THR OG1 O -0.502 4.343 -0.422 1.00 . A A . 3 THR OG1 1 1 15 3104 1 1 4 TRP C C -4.168 2.431 0.853 1.00 . A A . 4 TRP C 1 1 15 3105 1 1 4 TRP CA C -3.230 1.677 1.792 1.00 . A A . 4 TRP CA 1 1 15 3106 1 1 4 TRP CB C -3.836 1.601 3.193 1.00 . A A . 4 TRP CB 1 1 15 3107 1 1 4 TRP CD1 C -6.118 0.805 3.961 1.00 . A A . 4 TRP CD1 1 1 15 3108 1 1 4 TRP CD2 C -4.920 -0.730 2.894 1.00 . A A . 4 TRP CD2 1 1 15 3109 1 1 4 TRP CE2 C -6.147 -1.307 3.250 1.00 . A A . 4 TRP CE2 1 1 15 3110 1 1 4 TRP CE3 C -3.985 -1.485 2.217 1.00 . A A . 4 TRP CE3 1 1 15 3111 1 1 4 TRP CG C -4.931 0.611 3.343 1.00 . A A . 4 TRP CG 1 1 15 3112 1 1 4 TRP CH2 C -5.516 -3.359 2.271 1.00 . A A . 4 TRP CH2 1 1 15 3113 1 1 4 TRP CZ2 C -6.460 -2.626 2.943 1.00 . A A . 4 TRP CZ2 1 1 15 3114 1 1 4 TRP CZ3 C -4.283 -2.799 1.909 1.00 . A A . 4 TRP CZ3 1 1 15 3115 1 1 4 TRP H H -1.797 3.032 2.546 1.00 . A A . 4 TRP H 1 1 15 3116 1 1 4 TRP HA H -3.077 0.681 1.413 1.00 . A A . 4 TRP HA 1 1 15 3117 1 1 4 TRP HB2 H -3.078 1.347 3.904 1.00 . A A . 4 TRP HB2 1 1 15 3118 1 1 4 TRP HB3 H -4.225 2.553 3.438 1.00 . A A . 4 TRP HB3 1 1 15 3119 1 1 4 TRP HD1 H -6.405 1.735 4.416 1.00 . A A . 4 TRP HD1 1 1 15 3120 1 1 4 TRP HE1 H -7.773 -0.455 4.273 1.00 . A A . 4 TRP HE1 1 1 15 3121 1 1 4 TRP HE3 H -3.038 -1.052 1.941 1.00 . A A . 4 TRP HE3 1 1 15 3122 1 1 4 TRP HH2 H -5.713 -4.389 2.013 1.00 . A A . 4 TRP HH2 1 1 15 3123 1 1 4 TRP HZ2 H -7.408 -3.066 3.212 1.00 . A A . 4 TRP HZ2 1 1 15 3124 1 1 4 TRP HZ3 H -3.563 -3.406 1.381 1.00 . A A . 4 TRP HZ3 1 1 15 3125 1 1 4 TRP N N -1.938 2.342 1.864 1.00 . A A . 4 TRP N 1 1 15 3126 1 1 4 TRP NE1 N -6.872 -0.344 3.905 1.00 . A A . 4 TRP NE1 1 1 15 3127 1 1 4 TRP O O -4.436 3.616 1.054 1.00 . A A . 4 TRP O 1 1 15 3128 1 1 5 GLU C C -6.682 1.432 -1.561 1.00 . A A . 5 GLU C 1 1 15 3129 1 1 5 GLU CA C -5.553 2.371 -1.143 1.00 . A A . 5 GLU CA 1 1 15 3130 1 1 5 GLU CB C -4.768 2.818 -2.377 1.00 . A A . 5 GLU CB 1 1 15 3131 1 1 5 GLU CD C -2.907 2.173 -3.959 1.00 . A A . 5 GLU CD 1 1 15 3132 1 1 5 GLU CG C -4.039 1.683 -3.078 1.00 . A A . 5 GLU CG 1 1 15 3133 1 1 5 GLU H H -4.404 0.807 -0.293 1.00 . A A . 5 GLU H 1 1 15 3134 1 1 5 GLU HA H -5.985 3.242 -0.674 1.00 . A A . 5 GLU HA 1 1 15 3135 1 1 5 GLU HB2 H -5.453 3.266 -3.082 1.00 . A A . 5 GLU HB2 1 1 15 3136 1 1 5 GLU HB3 H -4.038 3.555 -2.078 1.00 . A A . 5 GLU HB3 1 1 15 3137 1 1 5 GLU HG2 H -3.631 1.019 -2.330 1.00 . A A . 5 GLU HG2 1 1 15 3138 1 1 5 GLU HG3 H -4.745 1.143 -3.691 1.00 . A A . 5 GLU HG3 1 1 15 3139 1 1 5 GLU N N -4.657 1.746 -0.177 1.00 . A A . 5 GLU N 1 1 15 3140 1 1 5 GLU O O -6.452 0.419 -2.222 1.00 . A A . 5 GLU O 1 1 15 3141 1 1 5 GLU OE1 O -2.579 1.480 -4.945 1.00 . A A . 5 GLU OE1 1 1 15 3142 1 1 5 GLU OE2 O -2.349 3.251 -3.663 1.00 . A A . 5 GLU OE2 1 1 15 3143 1 1 6 ASN C C -8.918 -0.476 -1.215 1.00 . A A . 6 ASN C 1 1 15 3144 1 1 6 ASN CA C -9.090 1.010 -1.532 1.00 . A A . 6 ASN CA 1 1 15 3145 1 1 6 ASN CB C -9.421 1.191 -3.015 1.00 . A A . 6 ASN CB 1 1 15 3146 1 1 6 ASN CG C -10.896 1.453 -3.244 1.00 . A A . 6 ASN CG 1 1 15 3147 1 1 6 ASN H H -8.019 2.622 -0.675 1.00 . A A . 6 ASN H 1 1 15 3148 1 1 6 ASN HA H -9.915 1.391 -0.949 1.00 . A A . 6 ASN HA 1 1 15 3149 1 1 6 ASN HB2 H -8.861 2.031 -3.404 1.00 . A A . 6 ASN HB2 1 1 15 3150 1 1 6 ASN HB3 H -9.144 0.294 -3.554 1.00 . A A . 6 ASN HB3 1 1 15 3151 1 1 6 ASN HD21 H -10.889 2.851 -1.831 1.00 . A A . 6 ASN HD21 1 1 15 3152 1 1 6 ASN HD22 H -12.406 2.577 -2.608 1.00 . A A . 6 ASN HD22 1 1 15 3153 1 1 6 ASN N N -7.906 1.794 -1.186 1.00 . A A . 6 ASN N 1 1 15 3154 1 1 6 ASN ND2 N -11.453 2.389 -2.485 1.00 . A A . 6 ASN ND2 1 1 15 3155 1 1 6 ASN O O -9.255 -1.334 -2.031 1.00 . A A . 6 ASN O 1 1 15 3156 1 1 6 ASN OD1 O -11.526 0.823 -4.093 1.00 . A A . 6 ASN OD1 1 1 15 3157 1 1 7 GLY C C -6.993 -2.803 -0.237 1.00 . A A . 7 GLY C 1 1 15 3158 1 1 7 GLY CA C -8.233 -2.164 0.364 1.00 . A A . 7 GLY CA 1 1 15 3159 1 1 7 GLY H H -8.169 -0.064 0.599 1.00 . A A . 7 GLY H 1 1 15 3160 1 1 7 GLY HA2 H -8.165 -2.215 1.440 1.00 . A A . 7 GLY HA2 1 1 15 3161 1 1 7 GLY HA3 H -9.101 -2.726 0.043 1.00 . A A . 7 GLY HA3 1 1 15 3162 1 1 7 GLY N N -8.411 -0.780 -0.024 1.00 . A A . 7 GLY N 1 1 15 3163 1 1 7 GLY O O -6.881 -4.028 -0.268 1.00 . A A . 7 GLY O 1 1 15 3164 1 1 8 LYS C C -3.596 -1.774 -0.820 1.00 . A A . 8 LYS C 1 1 15 3165 1 1 8 LYS CA C -4.838 -2.511 -1.319 1.00 . A A . 8 LYS CA 1 1 15 3166 1 1 8 LYS CB C -4.916 -2.416 -2.844 1.00 . A A . 8 LYS CB 1 1 15 3167 1 1 8 LYS CD C -3.845 -4.571 -3.578 1.00 . A A . 8 LYS CD 1 1 15 3168 1 1 8 LYS CE C -2.573 -5.235 -3.073 1.00 . A A . 8 LYS CE 1 1 15 3169 1 1 8 LYS CG C -3.733 -3.054 -3.554 1.00 . A A . 8 LYS CG 1 1 15 3170 1 1 8 LYS H H -6.197 -1.015 -0.674 1.00 . A A . 8 LYS H 1 1 15 3171 1 1 8 LYS HA H -4.757 -3.550 -1.040 1.00 . A A . 8 LYS HA 1 1 15 3172 1 1 8 LYS HB2 H -5.817 -2.910 -3.178 1.00 . A A . 8 LYS HB2 1 1 15 3173 1 1 8 LYS HB3 H -4.960 -1.375 -3.127 1.00 . A A . 8 LYS HB3 1 1 15 3174 1 1 8 LYS HD2 H -4.669 -4.872 -2.948 1.00 . A A . 8 LYS HD2 1 1 15 3175 1 1 8 LYS HD3 H -4.030 -4.892 -4.592 1.00 . A A . 8 LYS HD3 1 1 15 3176 1 1 8 LYS HE2 H -2.339 -6.069 -3.717 1.00 . A A . 8 LYS HE2 1 1 15 3177 1 1 8 LYS HE3 H -1.768 -4.515 -3.110 1.00 . A A . 8 LYS HE3 1 1 15 3178 1 1 8 LYS HG2 H -3.698 -2.691 -4.570 1.00 . A A . 8 LYS HG2 1 1 15 3179 1 1 8 LYS HG3 H -2.825 -2.776 -3.039 1.00 . A A . 8 LYS HG3 1 1 15 3180 1 1 8 LYS HZ1 H -3.492 -5.221 -1.197 1.00 . A A . 8 LYS HZ1 1 1 15 3181 1 1 8 LYS HZ2 H -1.838 -5.572 -1.148 1.00 . A A . 8 LYS HZ2 1 1 15 3182 1 1 8 LYS HZ3 H -2.934 -6.745 -1.677 1.00 . A A . 8 LYS HZ3 1 1 15 3183 1 1 8 LYS N N -6.061 -1.985 -0.720 1.00 . A A . 8 LYS N 1 1 15 3184 1 1 8 LYS NZ N -2.719 -5.728 -1.676 1.00 . A A . 8 LYS NZ 1 1 15 3185 1 1 8 LYS O O -3.601 -0.553 -0.667 1.00 . A A . 8 LYS O 1 1 15 3186 1 1 9 TRP C C -0.295 -1.789 -1.272 1.00 . A A . 9 TRP C 1 1 15 3187 1 1 9 TRP CA C -1.266 -1.978 -0.111 1.00 . A A . 9 TRP CA 1 1 15 3188 1 1 9 TRP CB C -0.638 -2.925 0.903 1.00 . A A . 9 TRP CB 1 1 15 3189 1 1 9 TRP CD1 C -1.637 -3.616 3.102 1.00 . A A . 9 TRP CD1 1 1 15 3190 1 1 9 TRP CD2 C -0.966 -1.503 3.045 1.00 . A A . 9 TRP CD2 1 1 15 3191 1 1 9 TRP CE2 C -1.488 -1.758 4.324 1.00 . A A . 9 TRP CE2 1 1 15 3192 1 1 9 TRP CE3 C -0.476 -0.240 2.753 1.00 . A A . 9 TRP CE3 1 1 15 3193 1 1 9 TRP CG C -1.077 -2.702 2.297 1.00 . A A . 9 TRP CG 1 1 15 3194 1 1 9 TRP CH2 C -1.035 0.456 4.996 1.00 . A A . 9 TRP CH2 1 1 15 3195 1 1 9 TRP CZ2 C -1.527 -0.782 5.314 1.00 . A A . 9 TRP CZ2 1 1 15 3196 1 1 9 TRP CZ3 C -0.514 0.729 3.727 1.00 . A A . 9 TRP CZ3 1 1 15 3197 1 1 9 TRP H H -2.595 -3.501 -0.726 1.00 . A A . 9 TRP H 1 1 15 3198 1 1 9 TRP HA H -1.457 -1.022 0.362 1.00 . A A . 9 TRP HA 1 1 15 3199 1 1 9 TRP HB2 H -0.879 -3.929 0.640 1.00 . A A . 9 TRP HB2 1 1 15 3200 1 1 9 TRP HB3 H 0.415 -2.822 0.885 1.00 . A A . 9 TRP HB3 1 1 15 3201 1 1 9 TRP HD1 H -1.839 -4.618 2.790 1.00 . A A . 9 TRP HD1 1 1 15 3202 1 1 9 TRP HE1 H -2.302 -3.535 5.098 1.00 . A A . 9 TRP HE1 1 1 15 3203 1 1 9 TRP HE3 H -0.066 -0.015 1.781 1.00 . A A . 9 TRP HE3 1 1 15 3204 1 1 9 TRP HH2 H -1.036 1.244 5.728 1.00 . A A . 9 TRP HH2 1 1 15 3205 1 1 9 TRP HZ2 H -1.927 -0.978 6.299 1.00 . A A . 9 TRP HZ2 1 1 15 3206 1 1 9 TRP HZ3 H -0.148 1.717 3.510 1.00 . A A . 9 TRP HZ3 1 1 15 3207 1 1 9 TRP N N -2.531 -2.533 -0.580 1.00 . A A . 9 TRP N 1 1 15 3208 1 1 9 TRP NE1 N -1.895 -3.068 4.338 1.00 . A A . 9 TRP NE1 1 1 15 3209 1 1 9 TRP O O -0.210 -2.635 -2.163 1.00 . A A . 9 TRP O 1 1 15 3210 1 1 10 THR C C 2.788 -0.111 -1.670 1.00 . A A . 10 THR C 1 1 15 3211 1 1 10 THR CA C 1.431 -0.419 -2.292 1.00 . A A . 10 THR CA 1 1 15 3212 1 1 10 THR CB C 0.971 0.737 -3.185 1.00 . A A . 10 THR CB 1 1 15 3213 1 1 10 THR CG2 C 0.814 0.339 -4.636 1.00 . A A . 10 THR CG2 1 1 15 3214 1 1 10 THR H H 0.352 -0.061 -0.506 1.00 . A A . 10 THR H 1 1 15 3215 1 1 10 THR HA H 1.524 -1.311 -2.895 1.00 . A A . 10 THR HA 1 1 15 3216 1 1 10 THR HB H 1.703 1.531 -3.138 1.00 . A A . 10 THR HB 1 1 15 3217 1 1 10 THR HG1 H -0.941 0.564 -2.798 1.00 . A A . 10 THR HG1 1 1 15 3218 1 1 10 THR HG21 H 0.968 -0.726 -4.734 1.00 . A A . 10 THR HG21 1 1 15 3219 1 1 10 THR HG22 H 1.543 0.865 -5.235 1.00 . A A . 10 THR HG22 1 1 15 3220 1 1 10 THR HG23 H -0.180 0.591 -4.973 1.00 . A A . 10 THR HG23 1 1 15 3221 1 1 10 THR N N 0.450 -0.692 -1.249 1.00 . A A . 10 THR N 1 1 15 3222 1 1 10 THR O O 2.911 0.784 -0.835 1.00 . A A . 10 THR O 1 1 15 3223 1 1 10 THR OG1 O -0.274 1.252 -2.745 1.00 . A A . 10 THR OG1 1 1 15 3224 1 1 11 TRP C C 5.936 0.326 -2.359 1.00 . A A . 11 TRP C 1 1 15 3225 1 1 11 TRP CA C 5.144 -0.682 -1.534 1.00 . A A . 11 TRP CA 1 1 15 3226 1 1 11 TRP CB C 5.881 -2.020 -1.490 1.00 . A A . 11 TRP CB 1 1 15 3227 1 1 11 TRP CD1 C 8.428 -2.248 -1.663 1.00 . A A . 11 TRP CD1 1 1 15 3228 1 1 11 TRP CD2 C 7.706 -1.414 0.284 1.00 . A A . 11 TRP CD2 1 1 15 3229 1 1 11 TRP CE2 C 9.111 -1.487 0.322 1.00 . A A . 11 TRP CE2 1 1 15 3230 1 1 11 TRP CE3 C 7.026 -0.918 1.398 1.00 . A A . 11 TRP CE3 1 1 15 3231 1 1 11 TRP CG C 7.289 -1.907 -0.992 1.00 . A A . 11 TRP CG 1 1 15 3232 1 1 11 TRP CH2 C 9.155 -0.599 2.509 1.00 . A A . 11 TRP CH2 1 1 15 3233 1 1 11 TRP CZ2 C 9.847 -1.082 1.432 1.00 . A A . 11 TRP CZ2 1 1 15 3234 1 1 11 TRP CZ3 C 7.756 -0.516 2.498 1.00 . A A . 11 TRP CZ3 1 1 15 3235 1 1 11 TRP H H 3.642 -1.575 -2.728 1.00 . A A . 11 TRP H 1 1 15 3236 1 1 11 TRP HA H 5.048 -0.304 -0.527 1.00 . A A . 11 TRP HA 1 1 15 3237 1 1 11 TRP HB2 H 5.348 -2.691 -0.832 1.00 . A A . 11 TRP HB2 1 1 15 3238 1 1 11 TRP HB3 H 5.909 -2.442 -2.484 1.00 . A A . 11 TRP HB3 1 1 15 3239 1 1 11 TRP HD1 H 8.447 -2.654 -2.663 1.00 . A A . 11 TRP HD1 1 1 15 3240 1 1 11 TRP HE1 H 10.460 -2.163 -1.136 1.00 . A A . 11 TRP HE1 1 1 15 3241 1 1 11 TRP HE3 H 5.949 -0.846 1.408 1.00 . A A . 11 TRP HE3 1 1 15 3242 1 1 11 TRP HH2 H 9.685 -0.274 3.392 1.00 . A A . 11 TRP HH2 1 1 15 3243 1 1 11 TRP HZ2 H 10.926 -1.139 1.456 1.00 . A A . 11 TRP HZ2 1 1 15 3244 1 1 11 TRP HZ3 H 7.246 -0.130 3.366 1.00 . A A . 11 TRP HZ3 1 1 15 3245 1 1 11 TRP N N 3.802 -0.868 -2.068 1.00 . A A . 11 TRP N 1 1 15 3246 1 1 11 TRP NE1 N 9.529 -2.000 -0.878 1.00 . A A . 11 TRP NE1 1 1 15 3247 1 1 11 TRP O O 5.731 0.458 -3.565 1.00 . A A . 11 TRP O 1 1 15 3248 1 1 12 LYS C C 8.654 2.667 -1.380 1.00 . A A . 12 LYS C 1 1 15 3249 1 1 12 LYS CA C 7.677 2.028 -2.362 1.00 . A A . 12 LYS CA 1 1 15 3250 1 1 12 LYS CB C 6.804 3.107 -3.005 1.00 . A A . 12 LYS CB 1 1 15 3251 1 1 12 LYS CD C 6.618 2.969 -5.511 1.00 . A A . 12 LYS CD 1 1 15 3252 1 1 12 LYS CE C 5.681 3.952 -6.195 1.00 . A A . 12 LYS CE 1 1 15 3253 1 1 12 LYS CG C 7.340 3.611 -4.336 1.00 . A A . 12 LYS CG 1 1 15 3254 1 1 12 LYS H H 6.964 0.878 -0.732 1.00 . A A . 12 LYS H 1 1 15 3255 1 1 12 LYS HA H 8.240 1.525 -3.134 1.00 . A A . 12 LYS HA 1 1 15 3256 1 1 12 LYS HB2 H 5.815 2.703 -3.170 1.00 . A A . 12 LYS HB2 1 1 15 3257 1 1 12 LYS HB3 H 6.732 3.946 -2.330 1.00 . A A . 12 LYS HB3 1 1 15 3258 1 1 12 LYS HD2 H 7.349 2.628 -6.227 1.00 . A A . 12 LYS HD2 1 1 15 3259 1 1 12 LYS HD3 H 6.043 2.128 -5.152 1.00 . A A . 12 LYS HD3 1 1 15 3260 1 1 12 LYS HE2 H 6.270 4.644 -6.779 1.00 . A A . 12 LYS HE2 1 1 15 3261 1 1 12 LYS HE3 H 5.019 3.403 -6.848 1.00 . A A . 12 LYS HE3 1 1 15 3262 1 1 12 LYS HG2 H 7.206 4.681 -4.384 1.00 . A A . 12 LYS HG2 1 1 15 3263 1 1 12 LYS HG3 H 8.393 3.375 -4.400 1.00 . A A . 12 LYS HG3 1 1 15 3264 1 1 12 LYS HZ1 H 3.923 4.914 -5.605 1.00 . A A . 12 LYS HZ1 1 1 15 3265 1 1 12 LYS HZ2 H 5.330 5.623 -4.992 1.00 . A A . 12 LYS HZ2 1 1 15 3266 1 1 12 LYS HZ3 H 4.759 4.174 -4.334 1.00 . A A . 12 LYS HZ3 1 1 15 3267 1 1 12 LYS N N 6.847 1.032 -1.695 1.00 . A A . 12 LYS N 1 1 15 3268 1 1 12 LYS NZ N 4.866 4.719 -5.213 1.00 . A A . 12 LYS NZ 1 1 15 3269 1 1 12 LYS O O 9.781 3.005 -1.741 1.00 . A A . 12 LYS O 1 1 15 3270 1 1 13 NH2 N N 8.273 2.731 -0.109 1.00 . A A . 13 NH2 N 1 1 16 3271 1 1 1 SER C C 5.517 1.946 3.360 1.00 . A A . 1 SER C 1 1 16 3272 1 1 1 SER CA C 6.446 2.588 4.385 1.00 . A A . 1 SER CA 1 1 16 3273 1 1 1 SER CB C 5.817 3.868 4.939 1.00 . A A . 1 SER CB 1 1 16 3274 1 1 1 SER H1 H 8.394 3.230 4.546 1.00 . A A . 1 SER H1 1 1 16 3275 1 1 1 SER H2 H 7.602 3.702 3.098 1.00 . A A . 1 SER H2 1 1 16 3276 1 1 1 SER H3 H 8.122 2.079 3.305 1.00 . A A . 1 SER H3 1 1 16 3277 1 1 1 SER HA H 6.612 1.894 5.194 1.00 . A A . 1 SER HA 1 1 16 3278 1 1 1 SER HB2 H 6.110 4.706 4.325 1.00 . A A . 1 SER HB2 1 1 16 3279 1 1 1 SER HB3 H 4.741 3.772 4.927 1.00 . A A . 1 SER HB3 1 1 16 3280 1 1 1 SER HG H 5.879 4.945 6.574 1.00 . A A . 1 SER HG 1 1 16 3281 1 1 1 SER N N 7.760 2.931 3.779 1.00 . A A . 1 SER N 1 1 16 3282 1 1 1 SER O O 5.893 1.749 2.204 1.00 . A A . 1 SER O 1 1 16 3283 1 1 1 SER OG O 6.239 4.109 6.270 1.00 . A A . 1 SER OG 1 1 16 3284 1 1 2 TRP C C 2.201 1.978 2.571 1.00 . A A . 2 TRP C 1 1 16 3285 1 1 2 TRP CA C 3.320 1.001 2.909 1.00 . A A . 2 TRP CA 1 1 16 3286 1 1 2 TRP CB C 2.753 -0.264 3.558 1.00 . A A . 2 TRP CB 1 1 16 3287 1 1 2 TRP CD1 C 4.552 -2.067 3.835 1.00 . A A . 2 TRP CD1 1 1 16 3288 1 1 2 TRP CD2 C 3.310 -2.281 1.985 1.00 . A A . 2 TRP CD2 1 1 16 3289 1 1 2 TRP CE2 C 4.263 -3.315 2.005 1.00 . A A . 2 TRP CE2 1 1 16 3290 1 1 2 TRP CE3 C 2.414 -2.213 0.915 1.00 . A A . 2 TRP CE3 1 1 16 3291 1 1 2 TRP CG C 3.513 -1.492 3.163 1.00 . A A . 2 TRP CG 1 1 16 3292 1 1 2 TRP CH2 C 3.458 -4.172 -0.044 1.00 . A A . 2 TRP CH2 1 1 16 3293 1 1 2 TRP CZ2 C 4.347 -4.269 0.993 1.00 . A A . 2 TRP CZ2 1 1 16 3294 1 1 2 TRP CZ3 C 2.497 -3.155 -0.083 1.00 . A A . 2 TRP CZ3 1 1 16 3295 1 1 2 TRP H H 4.061 1.803 4.723 1.00 . A A . 2 TRP H 1 1 16 3296 1 1 2 TRP HA H 3.826 0.727 1.995 1.00 . A A . 2 TRP HA 1 1 16 3297 1 1 2 TRP HB2 H 2.798 -0.166 4.633 1.00 . A A . 2 TRP HB2 1 1 16 3298 1 1 2 TRP HB3 H 1.727 -0.390 3.256 1.00 . A A . 2 TRP HB3 1 1 16 3299 1 1 2 TRP HD1 H 4.948 -1.702 4.771 1.00 . A A . 2 TRP HD1 1 1 16 3300 1 1 2 TRP HE1 H 5.751 -3.742 3.423 1.00 . A A . 2 TRP HE1 1 1 16 3301 1 1 2 TRP HE3 H 1.650 -1.453 0.865 1.00 . A A . 2 TRP HE3 1 1 16 3302 1 1 2 TRP HH2 H 3.486 -4.890 -0.851 1.00 . A A . 2 TRP HH2 1 1 16 3303 1 1 2 TRP HZ2 H 5.083 -5.060 1.011 1.00 . A A . 2 TRP HZ2 1 1 16 3304 1 1 2 TRP HZ3 H 1.816 -3.101 -0.917 1.00 . A A . 2 TRP HZ3 1 1 16 3305 1 1 2 TRP N N 4.302 1.621 3.790 1.00 . A A . 2 TRP N 1 1 16 3306 1 1 2 TRP NE1 N 5.010 -3.164 3.145 1.00 . A A . 2 TRP NE1 1 1 16 3307 1 1 2 TRP O O 1.926 2.904 3.336 1.00 . A A . 2 TRP O 1 1 16 3308 1 1 3 THR C C -0.842 1.906 0.891 1.00 . A A . 3 THR C 1 1 16 3309 1 1 3 THR CA C 0.474 2.665 1.005 1.00 . A A . 3 THR CA 1 1 16 3310 1 1 3 THR CB C 0.814 3.327 -0.332 1.00 . A A . 3 THR CB 1 1 16 3311 1 1 3 THR CG2 C 0.427 4.789 -0.391 1.00 . A A . 3 THR CG2 1 1 16 3312 1 1 3 THR H H 1.817 1.023 0.844 1.00 . A A . 3 THR H 1 1 16 3313 1 1 3 THR HA H 0.367 3.432 1.757 1.00 . A A . 3 THR HA 1 1 16 3314 1 1 3 THR HB H 0.285 2.813 -1.122 1.00 . A A . 3 THR HB 1 1 16 3315 1 1 3 THR HG1 H 2.399 2.391 -1.001 1.00 . A A . 3 THR HG1 1 1 16 3316 1 1 3 THR HG21 H 0.433 5.203 0.607 1.00 . A A . 3 THR HG21 1 1 16 3317 1 1 3 THR HG22 H -0.562 4.883 -0.814 1.00 . A A . 3 THR HG22 1 1 16 3318 1 1 3 THR HG23 H 1.134 5.324 -1.007 1.00 . A A . 3 THR HG23 1 1 16 3319 1 1 3 THR N N 1.557 1.778 1.422 1.00 . A A . 3 THR N 1 1 16 3320 1 1 3 THR O O -0.960 0.957 0.119 1.00 . A A . 3 THR O 1 1 16 3321 1 1 3 THR OG1 O 2.203 3.240 -0.598 1.00 . A A . 3 THR OG1 1 1 16 3322 1 1 4 TRP C C -4.086 2.444 0.718 1.00 . A A . 4 TRP C 1 1 16 3323 1 1 4 TRP CA C -3.143 1.701 1.660 1.00 . A A . 4 TRP CA 1 1 16 3324 1 1 4 TRP CB C -3.713 1.698 3.080 1.00 . A A . 4 TRP CB 1 1 16 3325 1 1 4 TRP CD1 C -5.995 1.009 3.942 1.00 . A A . 4 TRP CD1 1 1 16 3326 1 1 4 TRP CD2 C -4.886 -0.606 2.896 1.00 . A A . 4 TRP CD2 1 1 16 3327 1 1 4 TRP CE2 C -6.122 -1.124 3.308 1.00 . A A . 4 TRP CE2 1 1 16 3328 1 1 4 TRP CE3 C -4.000 -1.419 2.219 1.00 . A A . 4 TRP CE3 1 1 16 3329 1 1 4 TRP CG C -4.835 0.750 3.297 1.00 . A A . 4 TRP CG 1 1 16 3330 1 1 4 TRP CH2 C -5.598 -3.231 2.385 1.00 . A A . 4 TRP CH2 1 1 16 3331 1 1 4 TRP CZ2 C -6.492 -2.441 3.058 1.00 . A A . 4 TRP CZ2 1 1 16 3332 1 1 4 TRP CZ3 C -4.356 -2.730 1.967 1.00 . A A . 4 TRP CZ3 1 1 16 3333 1 1 4 TRP H H -1.672 3.100 2.257 1.00 . A A . 4 TRP H 1 1 16 3334 1 1 4 TRP HA H -3.026 0.687 1.317 1.00 . A A . 4 TRP HA 1 1 16 3335 1 1 4 TRP HB2 H -2.944 1.447 3.781 1.00 . A A . 4 TRP HB2 1 1 16 3336 1 1 4 TRP HB3 H -4.067 2.671 3.297 1.00 . A A . 4 TRP HB3 1 1 16 3337 1 1 4 TRP HD1 H -6.236 1.963 4.372 1.00 . A A . 4 TRP HD1 1 1 16 3338 1 1 4 TRP HE1 H -7.685 -0.178 4.347 1.00 . A A . 4 TRP HE1 1 1 16 3339 1 1 4 TRP HE3 H -3.046 -1.033 1.901 1.00 . A A . 4 TRP HE3 1 1 16 3340 1 1 4 TRP HH2 H -5.839 -4.261 2.169 1.00 . A A . 4 TRP HH2 1 1 16 3341 1 1 4 TRP HZ2 H -7.447 -2.835 3.370 1.00 . A A . 4 TRP HZ2 1 1 16 3342 1 1 4 TRP HZ3 H -3.676 -3.382 1.439 1.00 . A A . 4 TRP HZ3 1 1 16 3343 1 1 4 TRP N N -1.830 2.335 1.665 1.00 . A A . 4 TRP N 1 1 16 3344 1 1 4 TRP NE1 N -6.791 -0.113 3.949 1.00 . A A . 4 TRP NE1 1 1 16 3345 1 1 4 TRP O O -4.317 3.643 0.877 1.00 . A A . 4 TRP O 1 1 16 3346 1 1 5 GLU C C -6.692 1.420 -1.591 1.00 . A A . 5 GLU C 1 1 16 3347 1 1 5 GLU CA C -5.528 2.344 -1.238 1.00 . A A . 5 GLU CA 1 1 16 3348 1 1 5 GLU CB C -4.764 2.722 -2.508 1.00 . A A . 5 GLU CB 1 1 16 3349 1 1 5 GLU CD C -6.277 3.628 -4.316 1.00 . A A . 5 GLU CD 1 1 16 3350 1 1 5 GLU CG C -5.308 3.962 -3.199 1.00 . A A . 5 GLU CG 1 1 16 3351 1 1 5 GLU H H -4.398 0.784 -0.356 1.00 . A A . 5 GLU H 1 1 16 3352 1 1 5 GLU HA H -5.925 3.243 -0.792 1.00 . A A . 5 GLU HA 1 1 16 3353 1 1 5 GLU HB2 H -3.730 2.903 -2.252 1.00 . A A . 5 GLU HB2 1 1 16 3354 1 1 5 GLU HB3 H -4.815 1.897 -3.203 1.00 . A A . 5 GLU HB3 1 1 16 3355 1 1 5 GLU HG2 H -5.821 4.570 -2.469 1.00 . A A . 5 GLU HG2 1 1 16 3356 1 1 5 GLU HG3 H -4.481 4.519 -3.614 1.00 . A A . 5 GLU HG3 1 1 16 3357 1 1 5 GLU N N -4.622 1.733 -0.271 1.00 . A A . 5 GLU N 1 1 16 3358 1 1 5 GLU O O -6.502 0.366 -2.197 1.00 . A A . 5 GLU O 1 1 16 3359 1 1 5 GLU OE1 O -6.816 2.502 -4.319 1.00 . A A . 5 GLU OE1 1 1 16 3360 1 1 5 GLU OE2 O -6.498 4.495 -5.189 1.00 . A A . 5 GLU OE2 1 1 16 3361 1 1 6 ASN C C -8.969 -0.404 -1.168 1.00 . A A . 6 ASN C 1 1 16 3362 1 1 6 ASN CA C -9.113 1.080 -1.516 1.00 . A A . 6 ASN CA 1 1 16 3363 1 1 6 ASN CB C -9.487 1.239 -2.992 1.00 . A A . 6 ASN CB 1 1 16 3364 1 1 6 ASN CG C -10.907 1.738 -3.175 1.00 . A A . 6 ASN CG 1 1 16 3365 1 1 6 ASN H H -7.979 2.700 -0.760 1.00 . A A . 6 ASN H 1 1 16 3366 1 1 6 ASN HA H -9.908 1.495 -0.915 1.00 . A A . 6 ASN HA 1 1 16 3367 1 1 6 ASN HB2 H -8.815 1.951 -3.452 1.00 . A A . 6 ASN HB2 1 1 16 3368 1 1 6 ASN HB3 H -9.393 0.283 -3.490 1.00 . A A . 6 ASN HB3 1 1 16 3369 1 1 6 ASN HD21 H -11.530 0.599 -1.669 1.00 . A A . 6 ASN HD21 1 1 16 3370 1 1 6 ASN HD22 H -12.744 1.556 -2.437 1.00 . A A . 6 ASN HD22 1 1 16 3371 1 1 6 ASN N N -7.899 1.841 -1.225 1.00 . A A . 6 ASN N 1 1 16 3372 1 1 6 ASN ND2 N -11.819 1.247 -2.344 1.00 . A A . 6 ASN ND2 1 1 16 3373 1 1 6 ASN O O -9.357 -1.271 -1.951 1.00 . A A . 6 ASN O 1 1 16 3374 1 1 6 ASN OD1 O -11.182 2.556 -4.053 1.00 . A A . 6 ASN OD1 1 1 16 3375 1 1 7 GLY C C -7.061 -2.754 -0.173 1.00 . A A . 7 GLY C 1 1 16 3376 1 1 7 GLY CA C -8.278 -2.074 0.429 1.00 . A A . 7 GLY CA 1 1 16 3377 1 1 7 GLY H H -8.150 0.031 0.609 1.00 . A A . 7 GLY H 1 1 16 3378 1 1 7 GLY HA2 H -8.196 -2.102 1.505 1.00 . A A . 7 GLY HA2 1 1 16 3379 1 1 7 GLY HA3 H -9.163 -2.622 0.132 1.00 . A A . 7 GLY HA3 1 1 16 3380 1 1 7 GLY N N -8.431 -0.693 0.012 1.00 . A A . 7 GLY N 1 1 16 3381 1 1 7 GLY O O -6.981 -3.983 -0.186 1.00 . A A . 7 GLY O 1 1 16 3382 1 1 8 LYS C C -3.653 -1.816 -0.789 1.00 . A A . 8 LYS C 1 1 16 3383 1 1 8 LYS CA C -4.909 -2.533 -1.278 1.00 . A A . 8 LYS CA 1 1 16 3384 1 1 8 LYS CB C -5.004 -2.447 -2.802 1.00 . A A . 8 LYS CB 1 1 16 3385 1 1 8 LYS CD C -3.696 -4.612 -2.997 1.00 . A A . 8 LYS CD 1 1 16 3386 1 1 8 LYS CE C -5.004 -5.379 -2.850 1.00 . A A . 8 LYS CE 1 1 16 3387 1 1 8 LYS CG C -3.906 -3.201 -3.540 1.00 . A A . 8 LYS CG 1 1 16 3388 1 1 8 LYS H H -6.222 -0.997 -0.646 1.00 . A A . 8 LYS H 1 1 16 3389 1 1 8 LYS HA H -4.851 -3.571 -0.990 1.00 . A A . 8 LYS HA 1 1 16 3390 1 1 8 LYS HB2 H -5.957 -2.847 -3.114 1.00 . A A . 8 LYS HB2 1 1 16 3391 1 1 8 LYS HB3 H -4.952 -1.408 -3.093 1.00 . A A . 8 LYS HB3 1 1 16 3392 1 1 8 LYS HD2 H -3.055 -5.153 -3.676 1.00 . A A . 8 LYS HD2 1 1 16 3393 1 1 8 LYS HD3 H -3.219 -4.547 -2.032 1.00 . A A . 8 LYS HD3 1 1 16 3394 1 1 8 LYS HE2 H -5.817 -4.751 -3.179 1.00 . A A . 8 LYS HE2 1 1 16 3395 1 1 8 LYS HE3 H -4.959 -6.261 -3.472 1.00 . A A . 8 LYS HE3 1 1 16 3396 1 1 8 LYS HG2 H -4.173 -3.268 -4.583 1.00 . A A . 8 LYS HG2 1 1 16 3397 1 1 8 LYS HG3 H -2.984 -2.648 -3.441 1.00 . A A . 8 LYS HG3 1 1 16 3398 1 1 8 LYS HZ1 H -6.111 -5.334 -1.077 1.00 . A A . 8 LYS HZ1 1 1 16 3399 1 1 8 LYS HZ2 H -4.447 -5.522 -0.836 1.00 . A A . 8 LYS HZ2 1 1 16 3400 1 1 8 LYS HZ3 H -5.375 -6.825 -1.387 1.00 . A A . 8 LYS HZ3 1 1 16 3401 1 1 8 LYS N N -6.112 -1.969 -0.676 1.00 . A A . 8 LYS N 1 1 16 3402 1 1 8 LYS NZ N -5.252 -5.794 -1.439 1.00 . A A . 8 LYS NZ 1 1 16 3403 1 1 8 LYS O O -3.635 -0.596 -0.643 1.00 . A A . 8 LYS O 1 1 16 3404 1 1 9 TRP C C -0.361 -1.852 -1.219 1.00 . A A . 9 TRP C 1 1 16 3405 1 1 9 TRP CA C -1.334 -2.055 -0.065 1.00 . A A . 9 TRP CA 1 1 16 3406 1 1 9 TRP CB C -0.728 -3.016 0.947 1.00 . A A . 9 TRP CB 1 1 16 3407 1 1 9 TRP CD1 C -1.766 -3.649 3.145 1.00 . A A . 9 TRP CD1 1 1 16 3408 1 1 9 TRP CD2 C -1.013 -1.564 3.073 1.00 . A A . 9 TRP CD2 1 1 16 3409 1 1 9 TRP CE2 C -1.552 -1.787 4.350 1.00 . A A . 9 TRP CE2 1 1 16 3410 1 1 9 TRP CE3 C -0.473 -0.323 2.771 1.00 . A A . 9 TRP CE3 1 1 16 3411 1 1 9 TRP CG C -1.163 -2.766 2.336 1.00 . A A . 9 TRP CG 1 1 16 3412 1 1 9 TRP CH2 C -1.020 0.417 5.003 1.00 . A A . 9 TRP CH2 1 1 16 3413 1 1 9 TRP CZ2 C -1.561 -0.799 5.331 1.00 . A A . 9 TRP CZ2 1 1 16 3414 1 1 9 TRP CZ3 C -0.480 0.655 3.735 1.00 . A A . 9 TRP CZ3 1 1 16 3415 1 1 9 TRP H H -2.686 -3.558 -0.670 1.00 . A A . 9 TRP H 1 1 16 3416 1 1 9 TRP HA H -1.520 -1.106 0.419 1.00 . A A . 9 TRP HA 1 1 16 3417 1 1 9 TRP HB2 H -0.999 -4.015 0.689 1.00 . A A . 9 TRP HB2 1 1 16 3418 1 1 9 TRP HB3 H 0.329 -2.942 0.928 1.00 . A A . 9 TRP HB3 1 1 16 3419 1 1 9 TRP HD1 H -2.005 -4.644 2.840 1.00 . A A . 9 TRP HD1 1 1 16 3420 1 1 9 TRP HE1 H -2.440 -3.523 5.135 1.00 . A A . 9 TRP HE1 1 1 16 3421 1 1 9 TRP HE3 H -0.048 -0.124 1.800 1.00 . A A . 9 TRP HE3 1 1 16 3422 1 1 9 TRP HH2 H -0.995 1.212 5.727 1.00 . A A . 9 TRP HH2 1 1 16 3423 1 1 9 TRP HZ2 H -1.975 -0.970 6.314 1.00 . A A . 9 TRP HZ2 1 1 16 3424 1 1 9 TRP HZ3 H -0.071 1.626 3.512 1.00 . A A . 9 TRP HZ3 1 1 16 3425 1 1 9 TRP N N -2.604 -2.592 -0.538 1.00 . A A . 9 TRP N 1 1 16 3426 1 1 9 TRP NE1 N -2.011 -3.080 4.374 1.00 . A A . 9 TRP NE1 1 1 16 3427 1 1 9 TRP O O -0.273 -2.680 -2.125 1.00 . A A . 9 TRP O 1 1 16 3428 1 1 10 THR C C 2.711 -0.142 -1.576 1.00 . A A . 10 THR C 1 1 16 3429 1 1 10 THR CA C 1.358 -0.446 -2.205 1.00 . A A . 10 THR CA 1 1 16 3430 1 1 10 THR CB C 0.891 0.736 -3.057 1.00 . A A . 10 THR CB 1 1 16 3431 1 1 10 THR CG2 C 1.071 0.502 -4.540 1.00 . A A . 10 THR CG2 1 1 16 3432 1 1 10 THR H H 0.270 -0.134 -0.419 1.00 . A A . 10 THR H 1 1 16 3433 1 1 10 THR HA H 1.456 -1.317 -2.836 1.00 . A A . 10 THR HA 1 1 16 3434 1 1 10 THR HB H 1.463 1.612 -2.788 1.00 . A A . 10 THR HB 1 1 16 3435 1 1 10 THR HG1 H -0.614 1.233 -1.905 1.00 . A A . 10 THR HG1 1 1 16 3436 1 1 10 THR HG21 H 1.725 1.258 -4.948 1.00 . A A . 10 THR HG21 1 1 16 3437 1 1 10 THR HG22 H 0.110 0.553 -5.032 1.00 . A A . 10 THR HG22 1 1 16 3438 1 1 10 THR HG23 H 1.505 -0.474 -4.699 1.00 . A A . 10 THR HG23 1 1 16 3439 1 1 10 THR N N 0.379 -0.752 -1.172 1.00 . A A . 10 THR N 1 1 16 3440 1 1 10 THR O O 2.827 0.740 -0.725 1.00 . A A . 10 THR O 1 1 16 3441 1 1 10 THR OG1 O -0.481 1.011 -2.829 1.00 . A A . 10 THR OG1 1 1 16 3442 1 1 11 TRP C C 5.845 0.346 -2.257 1.00 . A A . 11 TRP C 1 1 16 3443 1 1 11 TRP CA C 5.073 -0.697 -1.457 1.00 . A A . 11 TRP CA 1 1 16 3444 1 1 11 TRP CB C 5.832 -2.025 -1.457 1.00 . A A . 11 TRP CB 1 1 16 3445 1 1 11 TRP CD1 C 8.382 -2.218 -1.625 1.00 . A A . 11 TRP CD1 1 1 16 3446 1 1 11 TRP CD2 C 7.645 -1.428 0.334 1.00 . A A . 11 TRP CD2 1 1 16 3447 1 1 11 TRP CE2 C 9.051 -1.485 0.375 1.00 . A A . 11 TRP CE2 1 1 16 3448 1 1 11 TRP CE3 C 6.957 -0.961 1.456 1.00 . A A . 11 TRP CE3 1 1 16 3449 1 1 11 TRP CG C 7.237 -1.903 -0.952 1.00 . A A . 11 TRP CG 1 1 16 3450 1 1 11 TRP CH2 C 9.079 -0.637 2.578 1.00 . A A . 11 TRP CH2 1 1 16 3451 1 1 11 TRP CZ2 C 9.779 -1.091 1.494 1.00 . A A . 11 TRP CZ2 1 1 16 3452 1 1 11 TRP CZ3 C 7.680 -0.570 2.566 1.00 . A A . 11 TRP CZ3 1 1 16 3453 1 1 11 TRP H H 3.576 -1.577 -2.666 1.00 . A A . 11 TRP H 1 1 16 3454 1 1 11 TRP HA H 4.975 -0.352 -0.439 1.00 . A A . 11 TRP HA 1 1 16 3455 1 1 11 TRP HB2 H 5.309 -2.727 -0.825 1.00 . A A . 11 TRP HB2 1 1 16 3456 1 1 11 TRP HB3 H 5.869 -2.411 -2.465 1.00 . A A . 11 TRP HB3 1 1 16 3457 1 1 11 TRP HD1 H 8.408 -2.605 -2.633 1.00 . A A . 11 TRP HD1 1 1 16 3458 1 1 11 TRP HE1 H 10.411 -2.117 -1.092 1.00 . A A . 11 TRP HE1 1 1 16 3459 1 1 11 TRP HE3 H 5.878 -0.902 1.466 1.00 . A A . 11 TRP HE3 1 1 16 3460 1 1 11 TRP HH2 H 9.603 -0.321 3.468 1.00 . A A . 11 TRP HH2 1 1 16 3461 1 1 11 TRP HZ2 H 10.858 -1.136 1.519 1.00 . A A . 11 TRP HZ2 1 1 16 3462 1 1 11 TRP HZ3 H 7.164 -0.207 3.441 1.00 . A A . 11 TRP HZ3 1 1 16 3463 1 1 11 TRP N N 3.731 -0.884 -1.991 1.00 . A A . 11 TRP N 1 1 16 3464 1 1 11 TRP NE1 N 9.478 -1.971 -0.834 1.00 . A A . 11 TRP NE1 1 1 16 3465 1 1 11 TRP O O 5.590 0.547 -3.445 1.00 . A A . 11 TRP O 1 1 16 3466 1 1 12 LYS C C 8.675 2.552 -1.291 1.00 . A A . 12 LYS C 1 1 16 3467 1 1 12 LYS CA C 7.606 2.026 -2.244 1.00 . A A . 12 LYS CA 1 1 16 3468 1 1 12 LYS CB C 6.723 3.178 -2.731 1.00 . A A . 12 LYS CB 1 1 16 3469 1 1 12 LYS CD C 5.189 3.807 -4.619 1.00 . A A . 12 LYS CD 1 1 16 3470 1 1 12 LYS CE C 5.252 4.492 -5.974 1.00 . A A . 12 LYS CE 1 1 16 3471 1 1 12 LYS CG C 6.530 3.200 -4.239 1.00 . A A . 12 LYS CG 1 1 16 3472 1 1 12 LYS H H 6.948 0.797 -0.650 1.00 . A A . 12 LYS H 1 1 16 3473 1 1 12 LYS HA H 8.091 1.570 -3.094 1.00 . A A . 12 LYS HA 1 1 16 3474 1 1 12 LYS HB2 H 5.751 3.092 -2.267 1.00 . A A . 12 LYS HB2 1 1 16 3475 1 1 12 LYS HB3 H 7.172 4.114 -2.434 1.00 . A A . 12 LYS HB3 1 1 16 3476 1 1 12 LYS HD2 H 4.447 3.023 -4.658 1.00 . A A . 12 LYS HD2 1 1 16 3477 1 1 12 LYS HD3 H 4.908 4.533 -3.870 1.00 . A A . 12 LYS HD3 1 1 16 3478 1 1 12 LYS HE2 H 4.250 4.761 -6.274 1.00 . A A . 12 LYS HE2 1 1 16 3479 1 1 12 LYS HE3 H 5.852 5.386 -5.883 1.00 . A A . 12 LYS HE3 1 1 16 3480 1 1 12 LYS HG2 H 7.318 3.787 -4.684 1.00 . A A . 12 LYS HG2 1 1 16 3481 1 1 12 LYS HG3 H 6.576 2.188 -4.613 1.00 . A A . 12 LYS HG3 1 1 16 3482 1 1 12 LYS HZ1 H 5.387 2.679 -7.002 1.00 . A A . 12 LYS HZ1 1 1 16 3483 1 1 12 LYS HZ2 H 6.865 3.484 -6.837 1.00 . A A . 12 LYS HZ2 1 1 16 3484 1 1 12 LYS HZ3 H 5.723 4.035 -7.957 1.00 . A A . 12 LYS HZ3 1 1 16 3485 1 1 12 LYS N N 6.792 1.004 -1.596 1.00 . A A . 12 LYS N 1 1 16 3486 1 1 12 LYS NZ N 5.848 3.611 -7.015 1.00 . A A . 12 LYS NZ 1 1 16 3487 1 1 12 LYS O O 8.994 1.917 -0.286 1.00 . A A . 12 LYS O 1 1 16 3488 1 1 13 NH2 N N 9.157 3.764 -1.540 1.00 . A A . 13 NH2 N 1 1 17 3489 1 1 1 SER C C 5.471 2.032 3.296 1.00 . A A . 1 SER C 1 1 17 3490 1 1 1 SER CA C 6.485 2.661 4.246 1.00 . A A . 1 SER CA 1 1 17 3491 1 1 1 SER CB C 5.862 3.859 4.965 1.00 . A A . 1 SER CB 1 1 17 3492 1 1 1 SER H1 H 8.234 3.739 4.153 1.00 . A A . 1 SER H1 1 1 17 3493 1 1 1 SER H2 H 7.372 3.645 2.672 1.00 . A A . 1 SER H2 1 1 17 3494 1 1 1 SER H3 H 8.244 2.283 3.249 1.00 . A A . 1 SER H3 1 1 17 3495 1 1 1 SER HA H 6.786 1.925 4.977 1.00 . A A . 1 SER HA 1 1 17 3496 1 1 1 SER HB2 H 6.625 4.599 5.155 1.00 . A A . 1 SER HB2 1 1 17 3497 1 1 1 SER HB3 H 5.091 4.289 4.343 1.00 . A A . 1 SER HB3 1 1 17 3498 1 1 1 SER HG H 5.891 3.682 6.916 1.00 . A A . 1 SER HG 1 1 17 3499 1 1 1 SER N N 7.693 3.124 3.514 1.00 . A A . 1 SER N 1 1 17 3500 1 1 1 SER O O 5.748 1.845 2.112 1.00 . A A . 1 SER O 1 1 17 3501 1 1 1 SER OG O 5.287 3.471 6.201 1.00 . A A . 1 SER OG 1 1 17 3502 1 1 2 TRP C C 2.101 2.077 2.795 1.00 . A A . 2 TRP C 1 1 17 3503 1 1 2 TRP CA C 3.241 1.096 3.025 1.00 . A A . 2 TRP CA 1 1 17 3504 1 1 2 TRP CB C 2.729 -0.173 3.711 1.00 . A A . 2 TRP CB 1 1 17 3505 1 1 2 TRP CD1 C 4.558 -1.949 3.969 1.00 . A A . 2 TRP CD1 1 1 17 3506 1 1 2 TRP CD2 C 3.323 -2.156 2.114 1.00 . A A . 2 TRP CD2 1 1 17 3507 1 1 2 TRP CE2 C 4.294 -3.174 2.120 1.00 . A A . 2 TRP CE2 1 1 17 3508 1 1 2 TRP CE3 C 2.428 -2.087 1.045 1.00 . A A . 2 TRP CE3 1 1 17 3509 1 1 2 TRP CG C 3.509 -1.383 3.303 1.00 . A A . 2 TRP CG 1 1 17 3510 1 1 2 TRP CH2 C 3.506 -4.011 0.057 1.00 . A A . 2 TRP CH2 1 1 17 3511 1 1 2 TRP CZ2 C 4.396 -4.110 1.093 1.00 . A A . 2 TRP CZ2 1 1 17 3512 1 1 2 TRP CZ3 C 2.528 -3.010 0.033 1.00 . A A . 2 TRP CZ3 1 1 17 3513 1 1 2 TRP H H 4.136 1.879 4.776 1.00 . A A . 2 TRP H 1 1 17 3514 1 1 2 TRP HA H 3.666 0.829 2.069 1.00 . A A . 2 TRP HA 1 1 17 3515 1 1 2 TRP HB2 H 2.813 -0.058 4.783 1.00 . A A . 2 TRP HB2 1 1 17 3516 1 1 2 TRP HB3 H 1.694 -0.330 3.450 1.00 . A A . 2 TRP HB3 1 1 17 3517 1 1 2 TRP HD1 H 4.945 -1.590 4.911 1.00 . A A . 2 TRP HD1 1 1 17 3518 1 1 2 TRP HE1 H 5.788 -3.594 3.534 1.00 . A A . 2 TRP HE1 1 1 17 3519 1 1 2 TRP HE3 H 1.650 -1.341 1.005 1.00 . A A . 2 TRP HE3 1 1 17 3520 1 1 2 TRP HH2 H 3.547 -4.715 -0.762 1.00 . A A . 2 TRP HH2 1 1 17 3521 1 1 2 TRP HZ2 H 5.145 -4.888 1.100 1.00 . A A . 2 TRP HZ2 1 1 17 3522 1 1 2 TRP HZ3 H 1.845 -2.952 -0.799 1.00 . A A . 2 TRP HZ3 1 1 17 3523 1 1 2 TRP N N 4.296 1.706 3.825 1.00 . A A . 2 TRP N 1 1 17 3524 1 1 2 TRP NE1 N 5.037 -3.026 3.263 1.00 . A A . 2 TRP NE1 1 1 17 3525 1 1 2 TRP O O 1.872 2.973 3.607 1.00 . A A . 2 TRP O 1 1 17 3526 1 1 3 THR C C -1.009 2.018 1.132 1.00 . A A . 3 THR C 1 1 17 3527 1 1 3 THR CA C 0.269 2.805 1.379 1.00 . A A . 3 THR CA 1 1 17 3528 1 1 3 THR CB C 0.595 3.680 0.168 1.00 . A A . 3 THR CB 1 1 17 3529 1 1 3 THR CG2 C 1.060 2.891 -1.032 1.00 . A A . 3 THR CG2 1 1 17 3530 1 1 3 THR H H 1.604 1.172 1.065 1.00 . A A . 3 THR H 1 1 17 3531 1 1 3 THR HA H 0.117 3.443 2.238 1.00 . A A . 3 THR HA 1 1 17 3532 1 1 3 THR HB H 1.382 4.369 0.437 1.00 . A A . 3 THR HB 1 1 17 3533 1 1 3 THR HG1 H -1.214 3.840 -0.567 1.00 . A A . 3 THR HG1 1 1 17 3534 1 1 3 THR HG21 H 0.560 3.253 -1.918 1.00 . A A . 3 THR HG21 1 1 17 3535 1 1 3 THR HG22 H 0.826 1.847 -0.888 1.00 . A A . 3 THR HG22 1 1 17 3536 1 1 3 THR HG23 H 2.128 3.008 -1.148 1.00 . A A . 3 THR HG23 1 1 17 3537 1 1 3 THR N N 1.383 1.911 1.685 1.00 . A A . 3 THR N 1 1 17 3538 1 1 3 THR O O -1.074 1.173 0.239 1.00 . A A . 3 THR O 1 1 17 3539 1 1 3 THR OG1 O -0.539 4.432 -0.226 1.00 . A A . 3 THR OG1 1 1 17 3540 1 1 4 TRP C C -4.236 2.392 0.902 1.00 . A A . 4 TRP C 1 1 17 3541 1 1 4 TRP CA C -3.305 1.628 1.840 1.00 . A A . 4 TRP CA 1 1 17 3542 1 1 4 TRP CB C -3.928 1.524 3.232 1.00 . A A . 4 TRP CB 1 1 17 3543 1 1 4 TRP CD1 C -6.221 0.718 3.952 1.00 . A A . 4 TRP CD1 1 1 17 3544 1 1 4 TRP CD2 C -5.011 -0.798 2.872 1.00 . A A . 4 TRP CD2 1 1 17 3545 1 1 4 TRP CE2 C -6.244 -1.380 3.200 1.00 . A A . 4 TRP CE2 1 1 17 3546 1 1 4 TRP CE3 C -4.067 -1.541 2.194 1.00 . A A . 4 TRP CE3 1 1 17 3547 1 1 4 TRP CG C -5.026 0.533 3.348 1.00 . A A . 4 TRP CG 1 1 17 3548 1 1 4 TRP CH2 C -5.602 -3.414 2.190 1.00 . A A . 4 TRP CH2 1 1 17 3549 1 1 4 TRP CZ2 C -6.554 -2.693 2.863 1.00 . A A . 4 TRP CZ2 1 1 17 3550 1 1 4 TRP CZ3 C -4.363 -2.848 1.855 1.00 . A A . 4 TRP CZ3 1 1 17 3551 1 1 4 TRP H H -1.894 2.983 2.634 1.00 . A A . 4 TRP H 1 1 17 3552 1 1 4 TRP HA H -3.139 0.640 1.446 1.00 . A A . 4 TRP HA 1 1 17 3553 1 1 4 TRP HB2 H -3.180 1.253 3.946 1.00 . A A . 4 TRP HB2 1 1 17 3554 1 1 4 TRP HB3 H -4.318 2.472 3.493 1.00 . A A . 4 TRP HB3 1 1 17 3555 1 1 4 TRP HD1 H -6.513 1.638 4.421 1.00 . A A . 4 TRP HD1 1 1 17 3556 1 1 4 TRP HE1 H -7.883 -0.546 4.216 1.00 . A A . 4 TRP HE1 1 1 17 3557 1 1 4 TRP HE3 H -3.117 -1.104 1.940 1.00 . A A . 4 TRP HE3 1 1 17 3558 1 1 4 TRP HH2 H -5.796 -4.438 1.909 1.00 . A A . 4 TRP HH2 1 1 17 3559 1 1 4 TRP HZ2 H -7.506 -3.136 3.109 1.00 . A A . 4 TRP HZ2 1 1 17 3560 1 1 4 TRP HZ3 H -3.637 -3.446 1.325 1.00 . A A . 4 TRP HZ3 1 1 17 3561 1 1 4 TRP N N -2.019 2.302 1.940 1.00 . A A . 4 TRP N 1 1 17 3562 1 1 4 TRP NE1 N -6.976 -0.429 3.863 1.00 . A A . 4 TRP NE1 1 1 17 3563 1 1 4 TRP O O -4.516 3.571 1.121 1.00 . A A . 4 TRP O 1 1 17 3564 1 1 5 GLU C C -6.711 1.420 -1.564 1.00 . A A . 5 GLU C 1 1 17 3565 1 1 5 GLU CA C -5.594 2.359 -1.112 1.00 . A A . 5 GLU CA 1 1 17 3566 1 1 5 GLU CB C -4.796 2.834 -2.328 1.00 . A A . 5 GLU CB 1 1 17 3567 1 1 5 GLU CD C -5.915 5.075 -2.656 1.00 . A A . 5 GLU CD 1 1 17 3568 1 1 5 GLU CG C -5.591 3.726 -3.267 1.00 . A A . 5 GLU CG 1 1 17 3569 1 1 5 GLU H H -4.445 0.788 -0.276 1.00 . A A . 5 GLU H 1 1 17 3570 1 1 5 GLU HA H -6.039 3.218 -0.633 1.00 . A A . 5 GLU HA 1 1 17 3571 1 1 5 GLU HB2 H -3.935 3.388 -1.984 1.00 . A A . 5 GLU HB2 1 1 17 3572 1 1 5 GLU HB3 H -4.460 1.971 -2.883 1.00 . A A . 5 GLU HB3 1 1 17 3573 1 1 5 GLU HG2 H -5.015 3.885 -4.166 1.00 . A A . 5 GLU HG2 1 1 17 3574 1 1 5 GLU HG3 H -6.517 3.228 -3.517 1.00 . A A . 5 GLU HG3 1 1 17 3575 1 1 5 GLU N N -4.706 1.723 -0.146 1.00 . A A . 5 GLU N 1 1 17 3576 1 1 5 GLU O O -6.461 0.406 -2.216 1.00 . A A . 5 GLU O 1 1 17 3577 1 1 5 GLU OE1 O -5.022 5.948 -2.638 1.00 . A A . 5 GLU OE1 1 1 17 3578 1 1 5 GLU OE2 O -7.061 5.259 -2.195 1.00 . A A . 5 GLU OE2 1 1 17 3579 1 1 6 ASN C C -8.948 -0.489 -1.308 1.00 . A A . 6 ASN C 1 1 17 3580 1 1 6 ASN CA C -9.119 1.001 -1.608 1.00 . A A . 6 ASN CA 1 1 17 3581 1 1 6 ASN CB C -9.421 1.205 -3.095 1.00 . A A . 6 ASN CB 1 1 17 3582 1 1 6 ASN CG C -10.480 2.266 -3.320 1.00 . A A . 6 ASN CG 1 1 17 3583 1 1 6 ASN H H -8.073 2.612 -0.721 1.00 . A A . 6 ASN H 1 1 17 3584 1 1 6 ASN HA H -9.956 1.372 -1.036 1.00 . A A . 6 ASN HA 1 1 17 3585 1 1 6 ASN HB2 H -8.516 1.512 -3.602 1.00 . A A . 6 ASN HB2 1 1 17 3586 1 1 6 ASN HB3 H -9.774 0.275 -3.519 1.00 . A A . 6 ASN HB3 1 1 17 3587 1 1 6 ASN HD21 H -11.665 1.398 -1.981 1.00 . A A . 6 ASN HD21 1 1 17 3588 1 1 6 ASN HD22 H -12.290 2.824 -2.724 1.00 . A A . 6 ASN HD22 1 1 17 3589 1 1 6 ASN N N -7.945 1.783 -1.227 1.00 . A A . 6 ASN N 1 1 17 3590 1 1 6 ASN ND2 N -11.591 2.150 -2.604 1.00 . A A . 6 ASN ND2 1 1 17 3591 1 1 6 ASN O O -9.265 -1.338 -2.142 1.00 . A A . 6 ASN O 1 1 17 3592 1 1 6 ASN OD1 O -10.301 3.177 -4.128 1.00 . A A . 6 ASN OD1 1 1 17 3593 1 1 7 GLY C C -7.040 -2.825 -0.331 1.00 . A A . 7 GLY C 1 1 17 3594 1 1 7 GLY CA C -8.289 -2.197 0.262 1.00 . A A . 7 GLY CA 1 1 17 3595 1 1 7 GLY H H -8.238 -0.099 0.526 1.00 . A A . 7 GLY H 1 1 17 3596 1 1 7 GLY HA2 H -8.235 -2.261 1.338 1.00 . A A . 7 GLY HA2 1 1 17 3597 1 1 7 GLY HA3 H -9.152 -2.756 -0.078 1.00 . A A . 7 GLY HA3 1 1 17 3598 1 1 7 GLY N N -8.464 -0.808 -0.112 1.00 . A A . 7 GLY N 1 1 17 3599 1 1 7 GLY O O -6.925 -4.050 -0.378 1.00 . A A . 7 GLY O 1 1 17 3600 1 1 8 LYS C C -3.636 -1.783 -0.848 1.00 . A A . 8 LYS C 1 1 17 3601 1 1 8 LYS CA C -4.869 -2.514 -1.376 1.00 . A A . 8 LYS CA 1 1 17 3602 1 1 8 LYS CB C -4.925 -2.397 -2.900 1.00 . A A . 8 LYS CB 1 1 17 3603 1 1 8 LYS CD C -4.033 -4.503 -3.940 1.00 . A A . 8 LYS CD 1 1 17 3604 1 1 8 LYS CE C -2.784 -5.361 -3.810 1.00 . A A . 8 LYS CE 1 1 17 3605 1 1 8 LYS CG C -3.746 -3.049 -3.604 1.00 . A A . 8 LYS CG 1 1 17 3606 1 1 8 LYS H H -6.240 -1.030 -0.729 1.00 . A A . 8 LYS H 1 1 17 3607 1 1 8 LYS HA H -4.790 -3.558 -1.112 1.00 . A A . 8 LYS HA 1 1 17 3608 1 1 8 LYS HB2 H -5.832 -2.867 -3.253 1.00 . A A . 8 LYS HB2 1 1 17 3609 1 1 8 LYS HB3 H -4.944 -1.351 -3.169 1.00 . A A . 8 LYS HB3 1 1 17 3610 1 1 8 LYS HD2 H -4.786 -4.877 -3.263 1.00 . A A . 8 LYS HD2 1 1 17 3611 1 1 8 LYS HD3 H -4.396 -4.563 -4.955 1.00 . A A . 8 LYS HD3 1 1 17 3612 1 1 8 LYS HE2 H -2.861 -6.192 -4.494 1.00 . A A . 8 LYS HE2 1 1 17 3613 1 1 8 LYS HE3 H -1.923 -4.762 -4.068 1.00 . A A . 8 LYS HE3 1 1 17 3614 1 1 8 LYS HG2 H -3.544 -2.512 -4.519 1.00 . A A . 8 LYS HG2 1 1 17 3615 1 1 8 LYS HG3 H -2.882 -3.001 -2.958 1.00 . A A . 8 LYS HG3 1 1 17 3616 1 1 8 LYS HZ1 H -3.083 -6.810 -2.336 1.00 . A A . 8 LYS HZ1 1 1 17 3617 1 1 8 LYS HZ2 H -3.031 -5.228 -1.740 1.00 . A A . 8 LYS HZ2 1 1 17 3618 1 1 8 LYS HZ3 H -1.602 -6.001 -2.211 1.00 . A A . 8 LYS HZ3 1 1 17 3619 1 1 8 LYS N N -6.102 -1.999 -0.787 1.00 . A A . 8 LYS N 1 1 17 3620 1 1 8 LYS NZ N -2.613 -5.887 -2.427 1.00 . A A . 8 LYS NZ 1 1 17 3621 1 1 8 LYS O O -3.645 -0.565 -0.677 1.00 . A A . 8 LYS O 1 1 17 3622 1 1 9 TRP C C -0.330 -1.781 -1.249 1.00 . A A . 9 TRP C 1 1 17 3623 1 1 9 TRP CA C -1.317 -1.993 -0.106 1.00 . A A . 9 TRP CA 1 1 17 3624 1 1 9 TRP CB C -0.701 -2.957 0.901 1.00 . A A . 9 TRP CB 1 1 17 3625 1 1 9 TRP CD1 C -1.723 -3.680 3.078 1.00 . A A . 9 TRP CD1 1 1 17 3626 1 1 9 TRP CD2 C -1.051 -1.567 3.061 1.00 . A A . 9 TRP CD2 1 1 17 3627 1 1 9 TRP CE2 C -1.587 -1.842 4.329 1.00 . A A . 9 TRP CE2 1 1 17 3628 1 1 9 TRP CE3 C -0.558 -0.300 2.793 1.00 . A A . 9 TRP CE3 1 1 17 3629 1 1 9 TRP CG C -1.154 -2.754 2.293 1.00 . A A . 9 TRP CG 1 1 17 3630 1 1 9 TRP CH2 C -1.142 0.362 5.040 1.00 . A A . 9 TRP CH2 1 1 17 3631 1 1 9 TRP CZ2 C -1.637 -0.881 5.334 1.00 . A A . 9 TRP CZ2 1 1 17 3632 1 1 9 TRP CZ3 C -0.607 0.654 3.781 1.00 . A A . 9 TRP CZ3 1 1 17 3633 1 1 9 TRP H H -2.633 -3.510 -0.762 1.00 . A A . 9 TRP H 1 1 17 3634 1 1 9 TRP HA H -1.517 -1.046 0.381 1.00 . A A . 9 TRP HA 1 1 17 3635 1 1 9 TRP HB2 H -0.939 -3.956 0.620 1.00 . A A . 9 TRP HB2 1 1 17 3636 1 1 9 TRP HB3 H 0.353 -2.854 0.896 1.00 . A A . 9 TRP HB3 1 1 17 3637 1 1 9 TRP HD1 H -1.921 -4.677 2.748 1.00 . A A . 9 TRP HD1 1 1 17 3638 1 1 9 TRP HE1 H -2.409 -3.630 5.067 1.00 . A A . 9 TRP HE1 1 1 17 3639 1 1 9 TRP HE3 H -0.138 -0.060 1.829 1.00 . A A . 9 TRP HE3 1 1 17 3640 1 1 9 TRP HH2 H -1.150 1.139 5.784 1.00 . A A . 9 TRP HH2 1 1 17 3641 1 1 9 TRP HZ2 H -2.047 -1.092 6.311 1.00 . A A . 9 TRP HZ2 1 1 17 3642 1 1 9 TRP HZ3 H -0.238 1.645 3.583 1.00 . A A . 9 TRP HZ3 1 1 17 3643 1 1 9 TRP N N -2.573 -2.544 -0.603 1.00 . A A . 9 TRP N 1 1 17 3644 1 1 9 TRP NE1 N -1.994 -3.152 4.319 1.00 . A A . 9 TRP NE1 1 1 17 3645 1 1 9 TRP O O -0.215 -2.621 -2.142 1.00 . A A . 9 TRP O 1 1 17 3646 1 1 10 THR C C 2.729 -0.051 -1.576 1.00 . A A . 10 THR C 1 1 17 3647 1 1 10 THR CA C 1.391 -0.377 -2.229 1.00 . A A . 10 THR CA 1 1 17 3648 1 1 10 THR CB C 0.933 0.782 -3.120 1.00 . A A . 10 THR CB 1 1 17 3649 1 1 10 THR CG2 C 0.845 0.406 -4.582 1.00 . A A . 10 THR CG2 1 1 17 3650 1 1 10 THR H H 0.275 -0.048 -0.460 1.00 . A A . 10 THR H 1 1 17 3651 1 1 10 THR HA H 1.510 -1.262 -2.837 1.00 . A A . 10 THR HA 1 1 17 3652 1 1 10 THR HB H 1.640 1.594 -3.031 1.00 . A A . 10 THR HB 1 1 17 3653 1 1 10 THR HG1 H -0.578 2.022 -3.244 1.00 . A A . 10 THR HG1 1 1 17 3654 1 1 10 THR HG21 H 1.669 0.852 -5.119 1.00 . A A . 10 THR HG21 1 1 17 3655 1 1 10 THR HG22 H -0.088 0.765 -4.991 1.00 . A A . 10 THR HG22 1 1 17 3656 1 1 10 THR HG23 H 0.891 -0.669 -4.680 1.00 . A A . 10 THR HG23 1 1 17 3657 1 1 10 THR N N 0.396 -0.673 -1.206 1.00 . A A . 10 THR N 1 1 17 3658 1 1 10 THR O O 2.819 0.842 -0.735 1.00 . A A . 10 THR O 1 1 17 3659 1 1 10 THR OG1 O -0.342 1.254 -2.720 1.00 . A A . 10 THR OG1 1 1 17 3660 1 1 11 TRP C C 5.888 0.429 -2.202 1.00 . A A . 11 TRP C 1 1 17 3661 1 1 11 TRP CA C 5.089 -0.583 -1.392 1.00 . A A . 11 TRP CA 1 1 17 3662 1 1 11 TRP CB C 5.852 -1.906 -1.322 1.00 . A A . 11 TRP CB 1 1 17 3663 1 1 11 TRP CD1 C 8.386 -1.964 -1.706 1.00 . A A . 11 TRP CD1 1 1 17 3664 1 1 11 TRP CD2 C 7.773 -1.276 0.332 1.00 . A A . 11 TRP CD2 1 1 17 3665 1 1 11 TRP CE2 C 9.179 -1.262 0.260 1.00 . A A . 11 TRP CE2 1 1 17 3666 1 1 11 TRP CE3 C 7.154 -0.880 1.517 1.00 . A A . 11 TRP CE3 1 1 17 3667 1 1 11 TRP CG C 7.287 -1.734 -0.930 1.00 . A A . 11 TRP CG 1 1 17 3668 1 1 11 TRP CH2 C 9.339 -0.480 2.482 1.00 . A A . 11 TRP CH2 1 1 17 3669 1 1 11 TRP CZ2 C 9.974 -0.865 1.332 1.00 . A A . 11 TRP CZ2 1 1 17 3670 1 1 11 TRP CZ3 C 7.942 -0.485 2.579 1.00 . A A . 11 TRP CZ3 1 1 17 3671 1 1 11 TRP H H 3.630 -1.495 -2.623 1.00 . A A . 11 TRP H 1 1 17 3672 1 1 11 TRP HA H 4.964 -0.201 -0.390 1.00 . A A . 11 TRP HA 1 1 17 3673 1 1 11 TRP HB2 H 5.378 -2.546 -0.593 1.00 . A A . 11 TRP HB2 1 1 17 3674 1 1 11 TRP HB3 H 5.822 -2.384 -2.291 1.00 . A A . 11 TRP HB3 1 1 17 3675 1 1 11 TRP HD1 H 8.348 -2.315 -2.726 1.00 . A A . 11 TRP HD1 1 1 17 3676 1 1 11 TRP HE1 H 10.446 -1.779 -1.331 1.00 . A A . 11 TRP HE1 1 1 17 3677 1 1 11 TRP HE3 H 6.078 -0.877 1.612 1.00 . A A . 11 TRP HE3 1 1 17 3678 1 1 11 TRP HH2 H 9.915 -0.163 3.339 1.00 . A A . 11 TRP HH2 1 1 17 3679 1 1 11 TRP HZ2 H 11.052 -0.856 1.272 1.00 . A A . 11 TRP HZ2 1 1 17 3680 1 1 11 TRP HZ3 H 7.478 -0.173 3.500 1.00 . A A . 11 TRP HZ3 1 1 17 3681 1 1 11 TRP N N 3.763 -0.789 -1.956 1.00 . A A . 11 TRP N 1 1 17 3682 1 1 11 TRP NE1 N 9.530 -1.688 -0.994 1.00 . A A . 11 TRP NE1 1 1 17 3683 1 1 11 TRP O O 5.678 0.585 -3.405 1.00 . A A . 11 TRP O 1 1 17 3684 1 1 12 LYS C C 9.068 2.078 -1.608 1.00 . A A . 12 LYS C 1 1 17 3685 1 1 12 LYS CA C 7.657 2.099 -2.187 1.00 . A A . 12 LYS CA 1 1 17 3686 1 1 12 LYS CB C 7.057 3.500 -2.042 1.00 . A A . 12 LYS CB 1 1 17 3687 1 1 12 LYS CD C 5.254 3.549 -3.796 1.00 . A A . 12 LYS CD 1 1 17 3688 1 1 12 LYS CE C 3.758 3.626 -4.057 1.00 . A A . 12 LYS CE 1 1 17 3689 1 1 12 LYS CG C 5.560 3.561 -2.306 1.00 . A A . 12 LYS CG 1 1 17 3690 1 1 12 LYS H H 6.938 0.931 -0.571 1.00 . A A . 12 LYS H 1 1 17 3691 1 1 12 LYS HA H 7.709 1.843 -3.235 1.00 . A A . 12 LYS HA 1 1 17 3692 1 1 12 LYS HB2 H 7.236 3.853 -1.038 1.00 . A A . 12 LYS HB2 1 1 17 3693 1 1 12 LYS HB3 H 7.549 4.163 -2.739 1.00 . A A . 12 LYS HB3 1 1 17 3694 1 1 12 LYS HD2 H 5.733 4.399 -4.258 1.00 . A A . 12 LYS HD2 1 1 17 3695 1 1 12 LYS HD3 H 5.640 2.637 -4.226 1.00 . A A . 12 LYS HD3 1 1 17 3696 1 1 12 LYS HE2 H 3.516 2.971 -4.882 1.00 . A A . 12 LYS HE2 1 1 17 3697 1 1 12 LYS HE3 H 3.233 3.297 -3.172 1.00 . A A . 12 LYS HE3 1 1 17 3698 1 1 12 LYS HG2 H 5.087 2.708 -1.845 1.00 . A A . 12 LYS HG2 1 1 17 3699 1 1 12 LYS HG3 H 5.166 4.469 -1.875 1.00 . A A . 12 LYS HG3 1 1 17 3700 1 1 12 LYS HZ1 H 2.993 5.498 -3.538 1.00 . A A . 12 LYS HZ1 1 1 17 3701 1 1 12 LYS HZ2 H 2.546 4.982 -5.085 1.00 . A A . 12 LYS HZ2 1 1 17 3702 1 1 12 LYS HZ3 H 4.116 5.544 -4.802 1.00 . A A . 12 LYS HZ3 1 1 17 3703 1 1 12 LYS N N 6.814 1.108 -1.531 1.00 . A A . 12 LYS N 1 1 17 3704 1 1 12 LYS NZ N 3.323 5.009 -4.394 1.00 . A A . 12 LYS NZ 1 1 17 3705 1 1 12 LYS O O 9.360 1.317 -0.685 1.00 . A A . 12 LYS O 1 1 17 3706 1 1 13 NH2 N N 9.917 2.994 -2.059 1.00 . A A . 13 NH2 N 1 1 18 3707 1 1 1 SER C C 5.512 2.035 3.154 1.00 . A A . 1 SER C 1 1 18 3708 1 1 1 SER CA C 6.484 2.685 4.134 1.00 . A A . 1 SER CA 1 1 18 3709 1 1 1 SER CB C 5.800 3.839 4.869 1.00 . A A . 1 SER CB 1 1 18 3710 1 1 1 SER H1 H 7.354 3.733 2.592 1.00 . A A . 1 SER H1 1 1 18 3711 1 1 1 SER H2 H 8.276 2.403 3.163 1.00 . A A . 1 SER H2 1 1 18 3712 1 1 1 SER H3 H 8.182 3.846 4.088 1.00 . A A . 1 SER H3 1 1 18 3713 1 1 1 SER HA H 6.806 1.946 4.853 1.00 . A A . 1 SER HA 1 1 18 3714 1 1 1 SER HB2 H 6.513 4.634 5.029 1.00 . A A . 1 SER HB2 1 1 18 3715 1 1 1 SER HB3 H 4.979 4.207 4.271 1.00 . A A . 1 SER HB3 1 1 18 3716 1 1 1 SER HG H 4.362 3.219 6.046 1.00 . A A . 1 SER HG 1 1 18 3717 1 1 1 SER N N 7.682 3.215 3.431 1.00 . A A . 1 SER N 1 1 18 3718 1 1 1 SER O O 5.831 1.848 1.980 1.00 . A A . 1 SER O 1 1 18 3719 1 1 1 SER OG O 5.298 3.418 6.125 1.00 . A A . 1 SER OG 1 1 18 3720 1 1 2 TRP C C 2.159 2.025 2.540 1.00 . A A . 2 TRP C 1 1 18 3721 1 1 2 TRP CA C 3.308 1.062 2.813 1.00 . A A . 2 TRP CA 1 1 18 3722 1 1 2 TRP CB C 2.795 -0.214 3.486 1.00 . A A . 2 TRP CB 1 1 18 3723 1 1 2 TRP CD1 C 4.604 -2.015 3.718 1.00 . A A . 2 TRP CD1 1 1 18 3724 1 1 2 TRP CD2 C 3.366 -2.185 1.860 1.00 . A A . 2 TRP CD2 1 1 18 3725 1 1 2 TRP CE2 C 4.326 -3.215 1.855 1.00 . A A . 2 TRP CE2 1 1 18 3726 1 1 2 TRP CE3 C 2.473 -2.094 0.790 1.00 . A A . 2 TRP CE3 1 1 18 3727 1 1 2 TRP CG C 3.562 -1.427 3.059 1.00 . A A . 2 TRP CG 1 1 18 3728 1 1 2 TRP CH2 C 3.530 -4.021 -0.218 1.00 . A A . 2 TRP CH2 1 1 18 3729 1 1 2 TRP CZ2 C 4.417 -4.141 0.818 1.00 . A A . 2 TRP CZ2 1 1 18 3730 1 1 2 TRP CZ3 C 2.563 -3.008 -0.233 1.00 . A A . 2 TRP CZ3 1 1 18 3731 1 1 2 TRP H H 4.131 1.866 4.590 1.00 . A A . 2 TRP H 1 1 18 3732 1 1 2 TRP HA H 3.769 0.799 1.873 1.00 . A A . 2 TRP HA 1 1 18 3733 1 1 2 TRP HB2 H 2.884 -0.114 4.558 1.00 . A A . 2 TRP HB2 1 1 18 3734 1 1 2 TRP HB3 H 1.760 -0.362 3.229 1.00 . A A . 2 TRP HB3 1 1 18 3735 1 1 2 TRP HD1 H 4.996 -1.673 4.664 1.00 . A A . 2 TRP HD1 1 1 18 3736 1 1 2 TRP HE1 H 5.813 -3.672 3.263 1.00 . A A . 2 TRP HE1 1 1 18 3737 1 1 2 TRP HE3 H 1.705 -1.337 0.759 1.00 . A A . 2 TRP HE3 1 1 18 3738 1 1 2 TRP HH2 H 3.563 -4.716 -1.044 1.00 . A A . 2 TRP HH2 1 1 18 3739 1 1 2 TRP HZ2 H 5.157 -4.927 0.816 1.00 . A A . 2 TRP HZ2 1 1 18 3740 1 1 2 TRP HZ3 H 1.882 -2.936 -1.066 1.00 . A A . 2 TRP HZ3 1 1 18 3741 1 1 2 TRP N N 4.326 1.692 3.645 1.00 . A A . 2 TRP N 1 1 18 3742 1 1 2 TRP NE1 N 5.070 -3.090 2.999 1.00 . A A . 2 TRP NE1 1 1 18 3743 1 1 2 TRP O O 1.869 2.902 3.354 1.00 . A A . 2 TRP O 1 1 18 3744 1 1 3 THR C C -0.904 1.954 0.906 1.00 . A A . 3 THR C 1 1 18 3745 1 1 3 THR CA C 0.394 2.741 1.028 1.00 . A A . 3 THR CA 1 1 18 3746 1 1 3 THR CB C 0.691 3.463 -0.287 1.00 . A A . 3 THR CB 1 1 18 3747 1 1 3 THR CG2 C -0.315 4.544 -0.617 1.00 . A A . 3 THR CG2 1 1 18 3748 1 1 3 THR H H 1.780 1.148 0.771 1.00 . A A . 3 THR H 1 1 18 3749 1 1 3 THR HA H 0.282 3.475 1.813 1.00 . A A . 3 THR HA 1 1 18 3750 1 1 3 THR HB H 0.678 2.742 -1.091 1.00 . A A . 3 THR HB 1 1 18 3751 1 1 3 THR HG1 H 1.975 4.775 0.397 1.00 . A A . 3 THR HG1 1 1 18 3752 1 1 3 THR HG21 H 0.107 5.217 -1.348 1.00 . A A . 3 THR HG21 1 1 18 3753 1 1 3 THR HG22 H -0.559 5.094 0.280 1.00 . A A . 3 THR HG22 1 1 18 3754 1 1 3 THR HG23 H -1.210 4.092 -1.018 1.00 . A A . 3 THR HG23 1 1 18 3755 1 1 3 THR N N 1.507 1.866 1.389 1.00 . A A . 3 THR N 1 1 18 3756 1 1 3 THR O O -1.012 1.033 0.100 1.00 . A A . 3 THR O 1 1 18 3757 1 1 3 THR OG1 O 1.973 4.065 -0.250 1.00 . A A . 3 THR OG1 1 1 18 3758 1 1 4 TRP C C -4.161 2.410 0.801 1.00 . A A . 4 TRP C 1 1 18 3759 1 1 4 TRP CA C -3.185 1.662 1.705 1.00 . A A . 4 TRP CA 1 1 18 3760 1 1 4 TRP CB C -3.734 1.596 3.132 1.00 . A A . 4 TRP CB 1 1 18 3761 1 1 4 TRP CD1 C -5.984 0.810 3.998 1.00 . A A . 4 TRP CD1 1 1 18 3762 1 1 4 TRP CD2 C -4.838 -0.736 2.890 1.00 . A A . 4 TRP CD2 1 1 18 3763 1 1 4 TRP CE2 C -6.053 -1.305 3.299 1.00 . A A . 4 TRP CE2 1 1 18 3764 1 1 4 TRP CE3 C -3.935 -1.500 2.179 1.00 . A A . 4 TRP CE3 1 1 18 3765 1 1 4 TRP CG C -4.824 0.608 3.333 1.00 . A A . 4 TRP CG 1 1 18 3766 1 1 4 TRP CH2 C -5.474 -3.365 2.305 1.00 . A A . 4 TRP CH2 1 1 18 3767 1 1 4 TRP CZ2 C -6.384 -2.625 3.012 1.00 . A A . 4 TRP CZ2 1 1 18 3768 1 1 4 TRP CZ3 C -4.254 -2.813 1.889 1.00 . A A . 4 TRP CZ3 1 1 18 3769 1 1 4 TRP H H -1.739 3.072 2.333 1.00 . A A . 4 TRP H 1 1 18 3770 1 1 4 TRP HA H -3.048 0.662 1.327 1.00 . A A . 4 TRP HA 1 1 18 3771 1 1 4 TRP HB2 H -2.948 1.348 3.815 1.00 . A A . 4 TRP HB2 1 1 18 3772 1 1 4 TRP HB3 H -4.115 2.551 3.384 1.00 . A A . 4 TRP HB3 1 1 18 3773 1 1 4 TRP HD1 H -6.248 1.743 4.460 1.00 . A A . 4 TRP HD1 1 1 18 3774 1 1 4 TRP HE1 H -7.631 -0.441 4.384 1.00 . A A . 4 TRP HE1 1 1 18 3775 1 1 4 TRP HE3 H -2.998 -1.074 1.863 1.00 . A A . 4 TRP HE3 1 1 18 3776 1 1 4 TRP HH2 H -5.686 -4.396 2.061 1.00 . A A . 4 TRP HH2 1 1 18 3777 1 1 4 TRP HZ2 H -7.322 -3.058 3.323 1.00 . A A . 4 TRP HZ2 1 1 18 3778 1 1 4 TRP HZ3 H -3.560 -3.427 1.334 1.00 . A A . 4 TRP HZ3 1 1 18 3779 1 1 4 TRP N N -1.888 2.328 1.713 1.00 . A A . 4 TRP N 1 1 18 3780 1 1 4 TRP NE1 N -6.745 -0.336 3.979 1.00 . A A . 4 TRP NE1 1 1 18 3781 1 1 4 TRP O O -4.420 3.596 1.004 1.00 . A A . 4 TRP O 1 1 18 3782 1 1 5 GLU C C -6.774 1.392 -1.500 1.00 . A A . 5 GLU C 1 1 18 3783 1 1 5 GLU CA C -5.629 2.335 -1.135 1.00 . A A . 5 GLU CA 1 1 18 3784 1 1 5 GLU CB C -4.895 2.773 -2.403 1.00 . A A . 5 GLU CB 1 1 18 3785 1 1 5 GLU CD C -4.426 4.938 -3.617 1.00 . A A . 5 GLU CD 1 1 18 3786 1 1 5 GLU CG C -4.309 4.173 -2.313 1.00 . A A . 5 GLU CG 1 1 18 3787 1 1 5 GLU H H -4.446 0.777 -0.321 1.00 . A A . 5 GLU H 1 1 18 3788 1 1 5 GLU HA H -6.042 3.209 -0.654 1.00 . A A . 5 GLU HA 1 1 18 3789 1 1 5 GLU HB2 H -4.089 2.081 -2.596 1.00 . A A . 5 GLU HB2 1 1 18 3790 1 1 5 GLU HB3 H -5.586 2.748 -3.232 1.00 . A A . 5 GLU HB3 1 1 18 3791 1 1 5 GLU HG2 H -4.834 4.721 -1.545 1.00 . A A . 5 GLU HG2 1 1 18 3792 1 1 5 GLU HG3 H -3.265 4.096 -2.050 1.00 . A A . 5 GLU HG3 1 1 18 3793 1 1 5 GLU N N -4.693 1.717 -0.202 1.00 . A A . 5 GLU N 1 1 18 3794 1 1 5 GLU O O -6.567 0.368 -2.151 1.00 . A A . 5 GLU O 1 1 18 3795 1 1 5 GLU OE1 O -5.205 5.913 -3.666 1.00 . A A . 5 GLU OE1 1 1 18 3796 1 1 5 GLU OE2 O -3.738 4.562 -4.590 1.00 . A A . 5 GLU OE2 1 1 18 3797 1 1 6 ASN C C -8.987 -0.512 -1.104 1.00 . A A . 6 ASN C 1 1 18 3798 1 1 6 ASN CA C -9.181 0.978 -1.390 1.00 . A A . 6 ASN CA 1 1 18 3799 1 1 6 ASN CB C -9.590 1.178 -2.850 1.00 . A A . 6 ASN CB 1 1 18 3800 1 1 6 ASN CG C -11.076 1.432 -2.999 1.00 . A A . 6 ASN CG 1 1 18 3801 1 1 6 ASN H H -8.079 2.600 -0.594 1.00 . A A . 6 ASN H 1 1 18 3802 1 1 6 ASN HA H -9.976 1.346 -0.758 1.00 . A A . 6 ASN HA 1 1 18 3803 1 1 6 ASN HB2 H -9.057 2.029 -3.254 1.00 . A A . 6 ASN HB2 1 1 18 3804 1 1 6 ASN HB3 H -9.335 0.292 -3.417 1.00 . A A . 6 ASN HB3 1 1 18 3805 1 1 6 ASN HD21 H -11.006 2.811 -1.568 1.00 . A A . 6 ASN HD21 1 1 18 3806 1 1 6 ASN HD22 H -12.560 2.534 -2.268 1.00 . A A . 6 ASN HD22 1 1 18 3807 1 1 6 ASN N N -7.984 1.763 -1.094 1.00 . A A . 6 ASN N 1 1 18 3808 1 1 6 ASN ND2 N -11.600 2.353 -2.198 1.00 . A A . 6 ASN ND2 1 1 18 3809 1 1 6 ASN O O -9.364 -1.360 -1.914 1.00 . A A . 6 ASN O 1 1 18 3810 1 1 6 ASN OD1 O -11.746 0.808 -3.822 1.00 . A A . 6 ASN OD1 1 1 18 3811 1 1 7 GLY C C -6.985 -2.837 -0.232 1.00 . A A . 7 GLY C 1 1 18 3812 1 1 7 GLY CA C -8.214 -2.221 0.413 1.00 . A A . 7 GLY CA 1 1 18 3813 1 1 7 GLY H H -8.146 -0.122 0.673 1.00 . A A . 7 GLY H 1 1 18 3814 1 1 7 GLY HA2 H -8.116 -2.290 1.486 1.00 . A A . 7 GLY HA2 1 1 18 3815 1 1 7 GLY HA3 H -9.085 -2.786 0.107 1.00 . A A . 7 GLY HA3 1 1 18 3816 1 1 7 GLY N N -8.417 -0.831 0.054 1.00 . A A . 7 GLY N 1 1 18 3817 1 1 7 GLY O O -6.870 -4.060 -0.305 1.00 . A A . 7 GLY O 1 1 18 3818 1 1 8 LYS C C -3.607 -1.776 -0.830 1.00 . A A . 8 LYS C 1 1 18 3819 1 1 8 LYS CA C -4.849 -2.501 -1.341 1.00 . A A . 8 LYS CA 1 1 18 3820 1 1 8 LYS CB C -4.950 -2.350 -2.860 1.00 . A A . 8 LYS CB 1 1 18 3821 1 1 8 LYS CD C -3.945 -4.363 -3.984 1.00 . A A . 8 LYS CD 1 1 18 3822 1 1 8 LYS CE C -2.742 -5.208 -3.598 1.00 . A A . 8 LYS CE 1 1 18 3823 1 1 8 LYS CG C -3.747 -2.902 -3.608 1.00 . A A . 8 LYS CG 1 1 18 3824 1 1 8 LYS H H -6.202 -1.034 -0.621 1.00 . A A . 8 LYS H 1 1 18 3825 1 1 8 LYS HA H -4.760 -3.550 -1.101 1.00 . A A . 8 LYS HA 1 1 18 3826 1 1 8 LYS HB2 H -5.831 -2.871 -3.205 1.00 . A A . 8 LYS HB2 1 1 18 3827 1 1 8 LYS HB3 H -5.045 -1.301 -3.100 1.00 . A A . 8 LYS HB3 1 1 18 3828 1 1 8 LYS HD2 H -4.817 -4.742 -3.472 1.00 . A A . 8 LYS HD2 1 1 18 3829 1 1 8 LYS HD3 H -4.095 -4.431 -5.052 1.00 . A A . 8 LYS HD3 1 1 18 3830 1 1 8 LYS HE2 H -2.559 -5.930 -4.380 1.00 . A A . 8 LYS HE2 1 1 18 3831 1 1 8 LYS HE3 H -1.882 -4.562 -3.498 1.00 . A A . 8 LYS HE3 1 1 18 3832 1 1 8 LYS HG2 H -3.600 -2.326 -4.509 1.00 . A A . 8 LYS HG2 1 1 18 3833 1 1 8 LYS HG3 H -2.874 -2.817 -2.977 1.00 . A A . 8 LYS HG3 1 1 18 3834 1 1 8 LYS HZ1 H -3.283 -6.900 -2.500 1.00 . A A . 8 LYS HZ1 1 1 18 3835 1 1 8 LYS HZ2 H -3.677 -5.439 -1.744 1.00 . A A . 8 LYS HZ2 1 1 18 3836 1 1 8 LYS HZ3 H -2.072 -5.970 -1.772 1.00 . A A . 8 LYS HZ3 1 1 18 3837 1 1 8 LYS N N -6.063 -2.001 -0.703 1.00 . A A . 8 LYS N 1 1 18 3838 1 1 8 LYS NZ N -2.959 -5.930 -2.314 1.00 . A A . 8 LYS NZ 1 1 18 3839 1 1 8 LYS O O -3.621 -0.563 -0.627 1.00 . A A . 8 LYS O 1 1 18 3840 1 1 9 TRP C C -0.314 -1.708 -1.297 1.00 . A A . 9 TRP C 1 1 18 3841 1 1 9 TRP CA C -1.275 -1.979 -0.145 1.00 . A A . 9 TRP CA 1 1 18 3842 1 1 9 TRP CB C -0.635 -2.955 0.829 1.00 . A A . 9 TRP CB 1 1 18 3843 1 1 9 TRP CD1 C -1.617 -3.677 3.023 1.00 . A A . 9 TRP CD1 1 1 18 3844 1 1 9 TRP CD2 C -0.932 -1.568 2.999 1.00 . A A . 9 TRP CD2 1 1 18 3845 1 1 9 TRP CE2 C -1.443 -1.843 4.277 1.00 . A A . 9 TRP CE2 1 1 18 3846 1 1 9 TRP CE3 C -0.436 -0.302 2.724 1.00 . A A . 9 TRP CE3 1 1 18 3847 1 1 9 TRP CG C -1.055 -2.755 2.231 1.00 . A A . 9 TRP CG 1 1 18 3848 1 1 9 TRP CH2 C -0.970 0.357 4.984 1.00 . A A . 9 TRP CH2 1 1 18 3849 1 1 9 TRP CZ2 C -1.468 -0.884 5.285 1.00 . A A . 9 TRP CZ2 1 1 18 3850 1 1 9 TRP CZ3 C -0.459 0.649 3.716 1.00 . A A . 9 TRP CZ3 1 1 18 3851 1 1 9 TRP H H -2.589 -3.496 -0.806 1.00 . A A . 9 TRP H 1 1 18 3852 1 1 9 TRP HA H -1.483 -1.052 0.371 1.00 . A A . 9 TRP HA 1 1 18 3853 1 1 9 TRP HB2 H -0.889 -3.952 0.546 1.00 . A A . 9 TRP HB2 1 1 18 3854 1 1 9 TRP HB3 H 0.419 -2.859 0.798 1.00 . A A . 9 TRP HB3 1 1 18 3855 1 1 9 TRP HD1 H -1.829 -4.670 2.694 1.00 . A A . 9 TRP HD1 1 1 18 3856 1 1 9 TRP HE1 H -2.263 -3.628 5.026 1.00 . A A . 9 TRP HE1 1 1 18 3857 1 1 9 TRP HE3 H -0.033 -0.062 1.753 1.00 . A A . 9 TRP HE3 1 1 18 3858 1 1 9 TRP HH2 H -0.959 1.131 5.730 1.00 . A A . 9 TRP HH2 1 1 18 3859 1 1 9 TRP HZ2 H -1.860 -1.096 6.269 1.00 . A A . 9 TRP HZ2 1 1 18 3860 1 1 9 TRP HZ3 H -0.084 1.638 3.515 1.00 . A A . 9 TRP HZ3 1 1 18 3861 1 1 9 TRP N N -2.534 -2.533 -0.629 1.00 . A A . 9 TRP N 1 1 18 3862 1 1 9 TRP NE1 N -1.860 -3.150 4.271 1.00 . A A . 9 TRP NE1 1 1 18 3863 1 1 9 TRP O O -0.233 -2.486 -2.248 1.00 . A A . 9 TRP O 1 1 18 3864 1 1 10 THR C C 2.747 0.037 -1.596 1.00 . A A . 10 THR C 1 1 18 3865 1 1 10 THR CA C 1.387 -0.241 -2.224 1.00 . A A . 10 THR CA 1 1 18 3866 1 1 10 THR CB C 0.905 0.982 -3.006 1.00 . A A . 10 THR CB 1 1 18 3867 1 1 10 THR CG2 C 1.084 0.837 -4.500 1.00 . A A . 10 THR CG2 1 1 18 3868 1 1 10 THR H H 0.317 -0.033 -0.412 1.00 . A A . 10 THR H 1 1 18 3869 1 1 10 THR HA H 1.482 -1.076 -2.902 1.00 . A A . 10 THR HA 1 1 18 3870 1 1 10 THR HB H 1.469 1.848 -2.688 1.00 . A A . 10 THR HB 1 1 18 3871 1 1 10 THR HG1 H -0.599 1.408 -1.825 1.00 . A A . 10 THR HG1 1 1 18 3872 1 1 10 THR HG21 H 1.817 1.550 -4.847 1.00 . A A . 10 THR HG21 1 1 18 3873 1 1 10 THR HG22 H 0.141 1.018 -4.995 1.00 . A A . 10 THR HG22 1 1 18 3874 1 1 10 THR HG23 H 1.422 -0.164 -4.725 1.00 . A A . 10 THR HG23 1 1 18 3875 1 1 10 THR N N 0.421 -0.608 -1.199 1.00 . A A . 10 THR N 1 1 18 3876 1 1 10 THR O O 2.869 0.873 -0.701 1.00 . A A . 10 THR O 1 1 18 3877 1 1 10 THR OG1 O -0.468 1.230 -2.759 1.00 . A A . 10 THR OG1 1 1 18 3878 1 1 11 TRP C C 5.880 0.558 -2.317 1.00 . A A . 11 TRP C 1 1 18 3879 1 1 11 TRP CA C 5.115 -0.506 -1.538 1.00 . A A . 11 TRP CA 1 1 18 3880 1 1 11 TRP CB C 5.873 -1.833 -1.585 1.00 . A A . 11 TRP CB 1 1 18 3881 1 1 11 TRP CD1 C 8.415 -1.983 -1.874 1.00 . A A . 11 TRP CD1 1 1 18 3882 1 1 11 TRP CD2 C 7.757 -1.292 0.150 1.00 . A A . 11 TRP CD2 1 1 18 3883 1 1 11 TRP CE2 C 9.164 -1.331 0.126 1.00 . A A . 11 TRP CE2 1 1 18 3884 1 1 11 TRP CE3 C 7.114 -0.885 1.321 1.00 . A A . 11 TRP CE3 1 1 18 3885 1 1 11 TRP CG C 7.298 -1.716 -1.137 1.00 . A A . 11 TRP CG 1 1 18 3886 1 1 11 TRP CH2 C 9.280 -0.581 2.362 1.00 . A A . 11 TRP CH2 1 1 18 3887 1 1 11 TRP CZ2 C 9.937 -0.977 1.229 1.00 . A A . 11 TRP CZ2 1 1 18 3888 1 1 11 TRP CZ3 C 7.881 -0.533 2.414 1.00 . A A . 11 TRP CZ3 1 1 18 3889 1 1 11 TRP H H 3.607 -1.330 -2.774 1.00 . A A . 11 TRP H 1 1 18 3890 1 1 11 TRP HA H 5.029 -0.189 -0.510 1.00 . A A . 11 TRP HA 1 1 18 3891 1 1 11 TRP HB2 H 5.377 -2.544 -0.940 1.00 . A A . 11 TRP HB2 1 1 18 3892 1 1 11 TRP HB3 H 5.869 -2.208 -2.598 1.00 . A A . 11 TRP HB3 1 1 18 3893 1 1 11 TRP HD1 H 8.401 -2.324 -2.899 1.00 . A A . 11 TRP HD1 1 1 18 3894 1 1 11 TRP HE1 H 10.465 -1.878 -1.426 1.00 . A A . 11 TRP HE1 1 1 18 3895 1 1 11 TRP HE3 H 6.036 -0.842 1.380 1.00 . A A . 11 TRP HE3 1 1 18 3896 1 1 11 TRP HH2 H 9.839 -0.297 3.241 1.00 . A A . 11 TRP HH2 1 1 18 3897 1 1 11 TRP HZ2 H 11.016 -1.008 1.204 1.00 . A A . 11 TRP HZ2 1 1 18 3898 1 1 11 TRP HZ3 H 7.400 -0.215 3.326 1.00 . A A . 11 TRP HZ3 1 1 18 3899 1 1 11 TRP N N 3.766 -0.674 -2.064 1.00 . A A . 11 TRP N 1 1 18 3900 1 1 11 TRP NE1 N 9.542 -1.756 -1.121 1.00 . A A . 11 TRP NE1 1 1 18 3901 1 1 11 TRP O O 5.615 0.792 -3.496 1.00 . A A . 11 TRP O 1 1 18 3902 1 1 12 LYS C C 8.875 2.548 -1.430 1.00 . A A . 12 LYS C 1 1 18 3903 1 1 12 LYS CA C 7.646 2.231 -2.276 1.00 . A A . 12 LYS CA 1 1 18 3904 1 1 12 LYS CB C 6.818 3.500 -2.487 1.00 . A A . 12 LYS CB 1 1 18 3905 1 1 12 LYS CD C 4.585 3.519 -3.650 1.00 . A A . 12 LYS CD 1 1 18 3906 1 1 12 LYS CE C 3.897 4.465 -4.621 1.00 . A A . 12 LYS CE 1 1 18 3907 1 1 12 LYS CG C 6.096 3.540 -3.826 1.00 . A A . 12 LYS CG 1 1 18 3908 1 1 12 LYS H H 7.002 0.960 -0.709 1.00 . A A . 12 LYS H 1 1 18 3909 1 1 12 LYS HA H 7.972 1.858 -3.236 1.00 . A A . 12 LYS HA 1 1 18 3910 1 1 12 LYS HB2 H 6.080 3.569 -1.701 1.00 . A A . 12 LYS HB2 1 1 18 3911 1 1 12 LYS HB3 H 7.473 4.357 -2.430 1.00 . A A . 12 LYS HB3 1 1 18 3912 1 1 12 LYS HD2 H 4.226 2.516 -3.827 1.00 . A A . 12 LYS HD2 1 1 18 3913 1 1 12 LYS HD3 H 4.346 3.817 -2.640 1.00 . A A . 12 LYS HD3 1 1 18 3914 1 1 12 LYS HE2 H 3.680 5.390 -4.109 1.00 . A A . 12 LYS HE2 1 1 18 3915 1 1 12 LYS HE3 H 4.565 4.660 -5.448 1.00 . A A . 12 LYS HE3 1 1 18 3916 1 1 12 LYS HG2 H 6.374 4.445 -4.346 1.00 . A A . 12 LYS HG2 1 1 18 3917 1 1 12 LYS HG3 H 6.394 2.682 -4.410 1.00 . A A . 12 LYS HG3 1 1 18 3918 1 1 12 LYS HZ1 H 2.008 3.613 -4.361 1.00 . A A . 12 LYS HZ1 1 1 18 3919 1 1 12 LYS HZ2 H 2.827 3.057 -5.733 1.00 . A A . 12 LYS HZ2 1 1 18 3920 1 1 12 LYS HZ3 H 2.132 4.599 -5.730 1.00 . A A . 12 LYS HZ3 1 1 18 3921 1 1 12 LYS N N 6.836 1.195 -1.648 1.00 . A A . 12 LYS N 1 1 18 3922 1 1 12 LYS NZ N 2.627 3.894 -5.148 1.00 . A A . 12 LYS NZ 1 1 18 3923 1 1 12 LYS O O 9.617 3.486 -1.720 1.00 . A A . 12 LYS O 1 1 18 3924 1 1 13 NH2 N N 9.035 1.844 -0.315 1.00 . A A . 13 NH2 N 1 1 19 3925 1 1 1 SER C C 5.453 2.009 3.286 1.00 . A A . 1 SER C 1 1 19 3926 1 1 1 SER CA C 6.403 2.649 4.293 1.00 . A A . 1 SER CA 1 1 19 3927 1 1 1 SER CB C 5.720 3.826 4.990 1.00 . A A . 1 SER CB 1 1 19 3928 1 1 1 SER H1 H 8.341 3.335 4.368 1.00 . A A . 1 SER H1 1 1 19 3929 1 1 1 SER H2 H 7.390 4.012 3.110 1.00 . A A . 1 SER H2 1 1 19 3930 1 1 1 SER H3 H 7.968 2.401 2.980 1.00 . A A . 1 SER H3 1 1 19 3931 1 1 1 SER HA H 6.683 1.912 5.031 1.00 . A A . 1 SER HA 1 1 19 3932 1 1 1 SER HB2 H 5.085 4.341 4.284 1.00 . A A . 1 SER HB2 1 1 19 3933 1 1 1 SER HB3 H 5.121 3.458 5.810 1.00 . A A . 1 SER HB3 1 1 19 3934 1 1 1 SER HG H 6.426 5.005 6.386 1.00 . A A . 1 SER HG 1 1 19 3935 1 1 1 SER N N 7.637 3.144 3.627 1.00 . A A . 1 SER N 1 1 19 3936 1 1 1 SER O O 5.790 1.852 2.112 1.00 . A A . 1 SER O 1 1 19 3937 1 1 1 SER OG O 6.674 4.743 5.496 1.00 . A A . 1 SER OG 1 1 19 3938 1 1 2 TRP C C 2.127 1.991 2.593 1.00 . A A . 2 TRP C 1 1 19 3939 1 1 2 TRP CA C 3.264 1.020 2.892 1.00 . A A . 2 TRP CA 1 1 19 3940 1 1 2 TRP CB C 2.725 -0.254 3.548 1.00 . A A . 2 TRP CB 1 1 19 3941 1 1 2 TRP CD1 C 4.521 -2.063 3.808 1.00 . A A . 2 TRP CD1 1 1 19 3942 1 1 2 TRP CD2 C 3.303 -2.236 1.938 1.00 . A A . 2 TRP CD2 1 1 19 3943 1 1 2 TRP CE2 C 4.256 -3.272 1.948 1.00 . A A . 2 TRP CE2 1 1 19 3944 1 1 2 TRP CE3 C 2.421 -2.145 0.858 1.00 . A A . 2 TRP CE3 1 1 19 3945 1 1 2 TRP CG C 3.491 -1.473 3.135 1.00 . A A . 2 TRP CG 1 1 19 3946 1 1 2 TRP CH2 C 3.476 -4.084 -0.129 1.00 . A A . 2 TRP CH2 1 1 19 3947 1 1 2 TRP CZ2 C 4.352 -4.204 0.917 1.00 . A A . 2 TRP CZ2 1 1 19 3948 1 1 2 TRP CZ3 C 2.516 -3.065 -0.159 1.00 . A A . 2 TRP CZ3 1 1 19 3949 1 1 2 TRP H H 4.053 1.795 4.697 1.00 . A A . 2 TRP H 1 1 19 3950 1 1 2 TRP HA H 3.747 0.758 1.963 1.00 . A A . 2 TRP HA 1 1 19 3951 1 1 2 TRP HB2 H 2.789 -0.158 4.622 1.00 . A A . 2 TRP HB2 1 1 19 3952 1 1 2 TRP HB3 H 1.695 -0.391 3.266 1.00 . A A . 2 TRP HB3 1 1 19 3953 1 1 2 TRP HD1 H 4.905 -1.718 4.757 1.00 . A A . 2 TRP HD1 1 1 19 3954 1 1 2 TRP HE1 H 5.724 -3.730 3.376 1.00 . A A . 2 TRP HE1 1 1 19 3955 1 1 2 TRP HE3 H 1.659 -1.383 0.815 1.00 . A A . 2 TRP HE3 1 1 19 3956 1 1 2 TRP HH2 H 3.514 -4.784 -0.950 1.00 . A A . 2 TRP HH2 1 1 19 3957 1 1 2 TRP HZ2 H 5.087 -4.995 0.928 1.00 . A A . 2 TRP HZ2 1 1 19 3958 1 1 2 TRP HZ3 H 1.845 -2.993 -1.001 1.00 . A A . 2 TRP HZ3 1 1 19 3959 1 1 2 TRP N N 4.263 1.643 3.752 1.00 . A A . 2 TRP N 1 1 19 3960 1 1 2 TRP NE1 N 4.988 -3.145 3.100 1.00 . A A . 2 TRP NE1 1 1 19 3961 1 1 2 TRP O O 1.839 2.883 3.391 1.00 . A A . 2 TRP O 1 1 19 3962 1 1 3 THR C C -0.920 1.927 0.926 1.00 . A A . 3 THR C 1 1 19 3963 1 1 3 THR CA C 0.384 2.704 1.056 1.00 . A A . 3 THR CA 1 1 19 3964 1 1 3 THR CB C 0.704 3.409 -0.263 1.00 . A A . 3 THR CB 1 1 19 3965 1 1 3 THR CG2 C -0.279 4.507 -0.608 1.00 . A A . 3 THR CG2 1 1 19 3966 1 1 3 THR H H 1.754 1.092 0.834 1.00 . A A . 3 THR H 1 1 19 3967 1 1 3 THR HA H 0.269 3.446 1.831 1.00 . A A . 3 THR HA 1 1 19 3968 1 1 3 THR HB H 0.683 2.682 -1.062 1.00 . A A . 3 THR HB 1 1 19 3969 1 1 3 THR HG1 H 2.656 3.292 -0.166 1.00 . A A . 3 THR HG1 1 1 19 3970 1 1 3 THR HG21 H -0.452 5.122 0.262 1.00 . A A . 3 THR HG21 1 1 19 3971 1 1 3 THR HG22 H -1.212 4.067 -0.929 1.00 . A A . 3 THR HG22 1 1 19 3972 1 1 3 THR HG23 H 0.125 5.114 -1.404 1.00 . A A . 3 THR HG23 1 1 19 3973 1 1 3 THR N N 1.484 1.822 1.438 1.00 . A A . 3 THR N 1 1 19 3974 1 1 3 THR O O -1.026 1.000 0.126 1.00 . A A . 3 THR O 1 1 19 3975 1 1 3 THR OG1 O 1.996 3.987 -0.221 1.00 . A A . 3 THR OG1 1 1 19 3976 1 1 4 TRP C C -4.175 2.415 0.786 1.00 . A A . 4 TRP C 1 1 19 3977 1 1 4 TRP CA C -3.212 1.662 1.701 1.00 . A A . 4 TRP CA 1 1 19 3978 1 1 4 TRP CB C -3.774 1.607 3.123 1.00 . A A . 4 TRP CB 1 1 19 3979 1 1 4 TRP CD1 C -6.037 0.842 3.975 1.00 . A A . 4 TRP CD1 1 1 19 3980 1 1 4 TRP CD2 C -4.896 -0.717 2.882 1.00 . A A . 4 TRP CD2 1 1 19 3981 1 1 4 TRP CE2 C -6.118 -1.275 3.284 1.00 . A A . 4 TRP CE2 1 1 19 3982 1 1 4 TRP CE3 C -3.994 -1.492 2.180 1.00 . A A . 4 TRP CE3 1 1 19 3983 1 1 4 TRP CG C -4.874 0.628 3.319 1.00 . A A . 4 TRP CG 1 1 19 3984 1 1 4 TRP CH2 C -5.550 -3.344 2.303 1.00 . A A . 4 TRP CH2 1 1 19 3985 1 1 4 TRP CZ2 C -6.459 -2.593 3.000 1.00 . A A . 4 TRP CZ2 1 1 19 3986 1 1 4 TRP CZ3 C -4.322 -2.804 1.894 1.00 . A A . 4 TRP CZ3 1 1 19 3987 1 1 4 TRP H H -1.762 3.066 2.332 1.00 . A A . 4 TRP H 1 1 19 3988 1 1 4 TRP HA H -3.081 0.660 1.328 1.00 . A A . 4 TRP HA 1 1 19 3989 1 1 4 TRP HB2 H -2.996 1.355 3.814 1.00 . A A . 4 TRP HB2 1 1 19 3990 1 1 4 TRP HB3 H -4.150 2.565 3.368 1.00 . A A . 4 TRP HB3 1 1 19 3991 1 1 4 TRP HD1 H -6.296 1.779 4.432 1.00 . A A . 4 TRP HD1 1 1 19 3992 1 1 4 TRP HE1 H -7.697 -0.394 4.355 1.00 . A A . 4 TRP HE1 1 1 19 3993 1 1 4 TRP HE3 H -3.051 -1.076 1.869 1.00 . A A . 4 TRP HE3 1 1 19 3994 1 1 4 TRP HH2 H -5.769 -4.374 2.061 1.00 . A A . 4 TRP HH2 1 1 19 3995 1 1 4 TRP HZ2 H -7.403 -3.017 3.306 1.00 . A A . 4 TRP HZ2 1 1 19 3996 1 1 4 TRP HZ3 H -3.629 -3.426 1.346 1.00 . A A . 4 TRP HZ3 1 1 19 3997 1 1 4 TRP N N -1.910 2.317 1.717 1.00 . A A . 4 TRP N 1 1 19 3998 1 1 4 TRP NE1 N -6.807 -0.297 3.955 1.00 . A A . 4 TRP NE1 1 1 19 3999 1 1 4 TRP O O -4.425 3.604 0.982 1.00 . A A . 4 TRP O 1 1 19 4000 1 1 5 GLU C C -6.776 1.410 -1.533 1.00 . A A . 5 GLU C 1 1 19 4001 1 1 5 GLU CA C -5.627 2.345 -1.162 1.00 . A A . 5 GLU CA 1 1 19 4002 1 1 5 GLU CB C -4.880 2.773 -2.426 1.00 . A A . 5 GLU CB 1 1 19 4003 1 1 5 GLU CD C -5.356 4.945 -3.628 1.00 . A A . 5 GLU CD 1 1 19 4004 1 1 5 GLU CG C -5.757 3.495 -3.436 1.00 . A A . 5 GLU CG 1 1 19 4005 1 1 5 GLU H H -4.465 0.781 -0.333 1.00 . A A . 5 GLU H 1 1 19 4006 1 1 5 GLU HA H -6.037 3.224 -0.688 1.00 . A A . 5 GLU HA 1 1 19 4007 1 1 5 GLU HB2 H -4.071 3.431 -2.147 1.00 . A A . 5 GLU HB2 1 1 19 4008 1 1 5 GLU HB3 H -4.469 1.894 -2.902 1.00 . A A . 5 GLU HB3 1 1 19 4009 1 1 5 GLU HG2 H -5.681 2.988 -4.387 1.00 . A A . 5 GLU HG2 1 1 19 4010 1 1 5 GLU HG3 H -6.781 3.462 -3.093 1.00 . A A . 5 GLU HG3 1 1 19 4011 1 1 5 GLU N N -4.704 1.724 -0.219 1.00 . A A . 5 GLU N 1 1 19 4012 1 1 5 GLU O O -6.573 0.382 -2.179 1.00 . A A . 5 GLU O 1 1 19 4013 1 1 5 GLU OE1 O -4.884 5.564 -2.652 1.00 . A A . 5 GLU OE1 1 1 19 4014 1 1 5 GLU OE2 O -5.514 5.460 -4.755 1.00 . A A . 5 GLU OE2 1 1 19 4015 1 1 6 ASN C C -9.007 -0.475 -1.145 1.00 . A A . 6 ASN C 1 1 19 4016 1 1 6 ASN CA C -9.188 1.015 -1.438 1.00 . A A . 6 ASN CA 1 1 19 4017 1 1 6 ASN CB C -9.584 1.214 -2.903 1.00 . A A . 6 ASN CB 1 1 19 4018 1 1 6 ASN CG C -11.067 1.484 -3.063 1.00 . A A . 6 ASN CG 1 1 19 4019 1 1 6 ASN H H -8.079 2.632 -0.640 1.00 . A A . 6 ASN H 1 1 19 4020 1 1 6 ASN HA H -9.984 1.392 -0.814 1.00 . A A . 6 ASN HA 1 1 19 4021 1 1 6 ASN HB2 H -9.038 2.056 -3.307 1.00 . A A . 6 ASN HB2 1 1 19 4022 1 1 6 ASN HB3 H -9.336 0.322 -3.463 1.00 . A A . 6 ASN HB3 1 1 19 4023 1 1 6 ASN HD21 H -10.991 2.866 -1.636 1.00 . A A . 6 ASN HD21 1 1 19 4024 1 1 6 ASN HD22 H -12.542 2.606 -2.347 1.00 . A A . 6 ASN HD22 1 1 19 4025 1 1 6 ASN N N -7.987 1.792 -1.137 1.00 . A A . 6 ASN N 1 1 19 4026 1 1 6 ASN ND2 N -11.586 2.414 -2.269 1.00 . A A . 6 ASN ND2 1 1 19 4027 1 1 6 ASN O O -9.385 -1.323 -1.955 1.00 . A A . 6 ASN O 1 1 19 4028 1 1 6 ASN OD1 O -11.738 0.866 -3.889 1.00 . A A . 6 ASN OD1 1 1 19 4029 1 1 7 GLY C C -7.029 -2.811 -0.250 1.00 . A A . 7 GLY C 1 1 19 4030 1 1 7 GLY CA C -8.258 -2.184 0.384 1.00 . A A . 7 GLY CA 1 1 19 4031 1 1 7 GLY H H -8.176 -0.084 0.636 1.00 . A A . 7 GLY H 1 1 19 4032 1 1 7 GLY HA2 H -8.169 -2.249 1.457 1.00 . A A . 7 GLY HA2 1 1 19 4033 1 1 7 GLY HA3 H -9.131 -2.744 0.072 1.00 . A A . 7 GLY HA3 1 1 19 4034 1 1 7 GLY N N -8.448 -0.794 0.017 1.00 . A A . 7 GLY N 1 1 19 4035 1 1 7 GLY O O -6.924 -4.035 -0.321 1.00 . A A . 7 GLY O 1 1 19 4036 1 1 8 LYS C C -3.637 -1.779 -0.820 1.00 . A A . 8 LYS C 1 1 19 4037 1 1 8 LYS CA C -4.881 -2.495 -1.341 1.00 . A A . 8 LYS CA 1 1 19 4038 1 1 8 LYS CB C -4.968 -2.344 -2.860 1.00 . A A . 8 LYS CB 1 1 19 4039 1 1 8 LYS CD C -3.710 -4.420 -3.513 1.00 . A A . 8 LYS CD 1 1 19 4040 1 1 8 LYS CE C -2.312 -4.946 -3.792 1.00 . A A . 8 LYS CE 1 1 19 4041 1 1 8 LYS CG C -3.761 -2.903 -3.597 1.00 . A A . 8 LYS CG 1 1 19 4042 1 1 8 LYS H H -6.227 -1.015 -0.634 1.00 . A A . 8 LYS H 1 1 19 4043 1 1 8 LYS HA H -4.803 -3.544 -1.099 1.00 . A A . 8 LYS HA 1 1 19 4044 1 1 8 LYS HB2 H -5.848 -2.861 -3.212 1.00 . A A . 8 LYS HB2 1 1 19 4045 1 1 8 LYS HB3 H -5.056 -1.295 -3.102 1.00 . A A . 8 LYS HB3 1 1 19 4046 1 1 8 LYS HD2 H -4.007 -4.725 -2.521 1.00 . A A . 8 LYS HD2 1 1 19 4047 1 1 8 LYS HD3 H -4.394 -4.834 -4.239 1.00 . A A . 8 LYS HD3 1 1 19 4048 1 1 8 LYS HE2 H -2.393 -5.886 -4.318 1.00 . A A . 8 LYS HE2 1 1 19 4049 1 1 8 LYS HE3 H -1.789 -4.232 -4.412 1.00 . A A . 8 LYS HE3 1 1 19 4050 1 1 8 LYS HG2 H -3.819 -2.612 -4.635 1.00 . A A . 8 LYS HG2 1 1 19 4051 1 1 8 LYS HG3 H -2.863 -2.496 -3.157 1.00 . A A . 8 LYS HG3 1 1 19 4052 1 1 8 LYS HZ1 H -0.764 -5.835 -2.707 1.00 . A A . 8 LYS HZ1 1 1 19 4053 1 1 8 LYS HZ2 H -2.157 -5.539 -1.795 1.00 . A A . 8 LYS HZ2 1 1 19 4054 1 1 8 LYS HZ3 H -1.133 -4.259 -2.211 1.00 . A A . 8 LYS HZ3 1 1 19 4055 1 1 8 LYS N N -6.096 -1.983 -0.714 1.00 . A A . 8 LYS N 1 1 19 4056 1 1 8 LYS NZ N -1.537 -5.160 -2.539 1.00 . A A . 8 LYS NZ 1 1 19 4057 1 1 8 LYS O O -3.641 -0.567 -0.618 1.00 . A A . 8 LYS O 1 1 19 4058 1 1 9 TRP C C -0.338 -1.747 -1.260 1.00 . A A . 9 TRP C 1 1 19 4059 1 1 9 TRP CA C -1.312 -2.003 -0.116 1.00 . A A . 9 TRP CA 1 1 19 4060 1 1 9 TRP CB C -0.692 -2.981 0.869 1.00 . A A . 9 TRP CB 1 1 19 4061 1 1 9 TRP CD1 C -1.707 -3.687 3.054 1.00 . A A . 9 TRP CD1 1 1 19 4062 1 1 9 TRP CD2 C -1.002 -1.584 3.032 1.00 . A A . 9 TRP CD2 1 1 19 4063 1 1 9 TRP CE2 C -1.531 -1.850 4.304 1.00 . A A . 9 TRP CE2 1 1 19 4064 1 1 9 TRP CE3 C -0.491 -0.324 2.759 1.00 . A A . 9 TRP CE3 1 1 19 4065 1 1 9 TRP CG C -1.127 -2.772 2.266 1.00 . A A . 9 TRP CG 1 1 19 4066 1 1 9 TRP CH2 C -1.047 0.347 5.011 1.00 . A A . 9 TRP CH2 1 1 19 4067 1 1 9 TRP CZ2 C -1.559 -0.888 5.309 1.00 . A A . 9 TRP CZ2 1 1 19 4068 1 1 9 TRP CZ3 C -0.517 0.630 3.748 1.00 . A A . 9 TRP CZ3 1 1 19 4069 1 1 9 TRP H H -2.634 -3.508 -0.786 1.00 . A A . 9 TRP H 1 1 19 4070 1 1 9 TRP HA H -1.516 -1.072 0.395 1.00 . A A . 9 TRP HA 1 1 19 4071 1 1 9 TRP HB2 H -0.952 -3.976 0.587 1.00 . A A . 9 TRP HB2 1 1 19 4072 1 1 9 TRP HB3 H 0.364 -2.894 0.850 1.00 . A A . 9 TRP HB3 1 1 19 4073 1 1 9 TRP HD1 H -1.924 -4.679 2.726 1.00 . A A . 9 TRP HD1 1 1 19 4074 1 1 9 TRP HE1 H -2.376 -3.625 5.049 1.00 . A A . 9 TRP HE1 1 1 19 4075 1 1 9 TRP HE3 H -0.074 -0.091 1.792 1.00 . A A . 9 TRP HE3 1 1 19 4076 1 1 9 TRP HH2 H -1.038 1.125 5.754 1.00 . A A . 9 TRP HH2 1 1 19 4077 1 1 9 TRP HZ2 H -1.965 -1.092 6.289 1.00 . A A . 9 TRP HZ2 1 1 19 4078 1 1 9 TRP HZ3 H -0.131 1.615 3.548 1.00 . A A . 9 TRP HZ3 1 1 19 4079 1 1 9 TRP N N -2.572 -2.546 -0.609 1.00 . A A . 9 TRP N 1 1 19 4080 1 1 9 TRP NE1 N -1.960 -3.154 4.298 1.00 . A A . 9 TRP NE1 1 1 19 4081 1 1 9 TRP O O -0.256 -2.530 -2.206 1.00 . A A . 9 TRP O 1 1 19 4082 1 1 10 THR C C 2.745 -0.033 -1.540 1.00 . A A . 10 THR C 1 1 19 4083 1 1 10 THR CA C 1.387 -0.301 -2.178 1.00 . A A . 10 THR CA 1 1 19 4084 1 1 10 THR CB C 0.924 0.924 -2.969 1.00 . A A . 10 THR CB 1 1 19 4085 1 1 10 THR CG2 C 1.128 0.775 -4.460 1.00 . A A . 10 THR CG2 1 1 19 4086 1 1 10 THR H H 0.302 -0.073 -0.376 1.00 . A A . 10 THR H 1 1 19 4087 1 1 10 THR HA H 1.479 -1.140 -2.852 1.00 . A A . 10 THR HA 1 1 19 4088 1 1 10 THR HB H 1.487 1.787 -2.643 1.00 . A A . 10 THR HB 1 1 19 4089 1 1 10 THR HG1 H -0.598 1.359 -1.816 1.00 . A A . 10 THR HG1 1 1 19 4090 1 1 10 THR HG21 H 0.201 0.982 -4.973 1.00 . A A . 10 THR HG21 1 1 19 4091 1 1 10 THR HG22 H 1.444 -0.234 -4.680 1.00 . A A . 10 THR HG22 1 1 19 4092 1 1 10 THR HG23 H 1.886 1.470 -4.792 1.00 . A A . 10 THR HG23 1 1 19 4093 1 1 10 THR N N 0.407 -0.653 -1.160 1.00 . A A . 10 THR N 1 1 19 4094 1 1 10 THR O O 2.868 0.806 -0.648 1.00 . A A . 10 THR O 1 1 19 4095 1 1 10 THR OG1 O -0.452 1.179 -2.747 1.00 . A A . 10 THR OG1 1 1 19 4096 1 1 11 TRP C C 5.889 0.450 -2.244 1.00 . A A . 11 TRP C 1 1 19 4097 1 1 11 TRP CA C 5.106 -0.600 -1.463 1.00 . A A . 11 TRP CA 1 1 19 4098 1 1 11 TRP CB C 5.847 -1.937 -1.495 1.00 . A A . 11 TRP CB 1 1 19 4099 1 1 11 TRP CD1 C 8.393 -2.167 -1.683 1.00 . A A . 11 TRP CD1 1 1 19 4100 1 1 11 TRP CD2 C 7.680 -1.406 0.297 1.00 . A A . 11 TRP CD2 1 1 19 4101 1 1 11 TRP CE2 C 9.085 -1.485 0.327 1.00 . A A . 11 TRP CE2 1 1 19 4102 1 1 11 TRP CE3 C 7.007 -0.950 1.433 1.00 . A A . 11 TRP CE3 1 1 19 4103 1 1 11 TRP CG C 7.257 -1.848 -0.996 1.00 . A A . 11 TRP CG 1 1 19 4104 1 1 11 TRP CH2 C 9.142 -0.683 2.547 1.00 . A A . 11 TRP CH2 1 1 19 4105 1 1 11 TRP CZ2 C 9.828 -1.126 1.449 1.00 . A A . 11 TRP CZ2 1 1 19 4106 1 1 11 TRP CZ3 C 7.744 -0.594 2.546 1.00 . A A . 11 TRP CZ3 1 1 19 4107 1 1 11 TRP H H 3.599 -1.414 -2.706 1.00 . A A . 11 TRP H 1 1 19 4108 1 1 11 TRP HA H 5.017 -0.275 -0.437 1.00 . A A . 11 TRP HA 1 1 19 4109 1 1 11 TRP HB2 H 5.319 -2.646 -0.875 1.00 . A A . 11 TRP HB2 1 1 19 4110 1 1 11 TRP HB3 H 5.873 -2.303 -2.511 1.00 . A A . 11 TRP HB3 1 1 19 4111 1 1 11 TRP HD1 H 8.407 -2.535 -2.698 1.00 . A A . 11 TRP HD1 1 1 19 4112 1 1 11 TRP HE1 H 10.427 -2.110 -1.160 1.00 . A A . 11 TRP HE1 1 1 19 4113 1 1 11 TRP HE3 H 5.930 -0.875 1.451 1.00 . A A . 11 TRP HE3 1 1 19 4114 1 1 11 TRP HH2 H 9.677 -0.394 3.440 1.00 . A A . 11 TRP HH2 1 1 19 4115 1 1 11 TRP HZ2 H 10.906 -1.189 1.466 1.00 . A A . 11 TRP HZ2 1 1 19 4116 1 1 11 TRP HZ3 H 7.240 -0.240 3.432 1.00 . A A . 11 TRP HZ3 1 1 19 4117 1 1 11 TRP N N 3.760 -0.756 -1.997 1.00 . A A . 11 TRP N 1 1 19 4118 1 1 11 TRP NE1 N 9.497 -1.953 -0.893 1.00 . A A . 11 TRP NE1 1 1 19 4119 1 1 11 TRP O O 5.634 0.679 -3.426 1.00 . A A . 11 TRP O 1 1 19 4120 1 1 12 LYS C C 8.712 2.645 -1.225 1.00 . A A . 12 LYS C 1 1 19 4121 1 1 12 LYS CA C 7.671 2.108 -2.203 1.00 . A A . 12 LYS CA 1 1 19 4122 1 1 12 LYS CB C 6.798 3.255 -2.716 1.00 . A A . 12 LYS CB 1 1 19 4123 1 1 12 LYS CD C 4.471 4.134 -2.332 1.00 . A A . 12 LYS CD 1 1 19 4124 1 1 12 LYS CE C 4.141 5.605 -2.134 1.00 . A A . 12 LYS CE 1 1 19 4125 1 1 12 LYS CG C 5.800 3.766 -1.688 1.00 . A A . 12 LYS CG 1 1 19 4126 1 1 12 LYS H H 7.003 0.855 -0.632 1.00 . A A . 12 LYS H 1 1 19 4127 1 1 12 LYS HA H 8.181 1.654 -3.039 1.00 . A A . 12 LYS HA 1 1 19 4128 1 1 12 LYS HB2 H 7.436 4.076 -3.006 1.00 . A A . 12 LYS HB2 1 1 19 4129 1 1 12 LYS HB3 H 6.248 2.914 -3.581 1.00 . A A . 12 LYS HB3 1 1 19 4130 1 1 12 LYS HD2 H 4.524 3.928 -3.391 1.00 . A A . 12 LYS HD2 1 1 19 4131 1 1 12 LYS HD3 H 3.690 3.536 -1.886 1.00 . A A . 12 LYS HD3 1 1 19 4132 1 1 12 LYS HE2 H 3.095 5.759 -2.353 1.00 . A A . 12 LYS HE2 1 1 19 4133 1 1 12 LYS HE3 H 4.335 5.868 -1.105 1.00 . A A . 12 LYS HE3 1 1 19 4134 1 1 12 LYS HG2 H 5.630 2.995 -0.952 1.00 . A A . 12 LYS HG2 1 1 19 4135 1 1 12 LYS HG3 H 6.212 4.641 -1.207 1.00 . A A . 12 LYS HG3 1 1 19 4136 1 1 12 LYS HZ1 H 5.784 6.840 -2.505 1.00 . A A . 12 LYS HZ1 1 1 19 4137 1 1 12 LYS HZ2 H 4.387 7.289 -3.345 1.00 . A A . 12 LYS HZ2 1 1 19 4138 1 1 12 LYS HZ3 H 5.282 5.946 -3.851 1.00 . A A . 12 LYS HZ3 1 1 19 4139 1 1 12 LYS N N 6.846 1.084 -1.573 1.00 . A A . 12 LYS N 1 1 19 4140 1 1 12 LYS NZ N 4.955 6.481 -3.021 1.00 . A A . 12 LYS NZ 1 1 19 4141 1 1 12 LYS O O 8.393 2.978 -0.084 1.00 . A A . 12 LYS O 1 1 19 4142 1 1 13 NH2 N N 9.978 2.625 -1.624 1.00 . A A . 13 NH2 N 1 1 20 4143 1 1 1 SER C C 5.460 2.029 3.313 1.00 . A A . 1 SER C 1 1 20 4144 1 1 1 SER CA C 6.404 2.671 4.325 1.00 . A A . 1 SER CA 1 1 20 4145 1 1 1 SER CB C 5.736 3.885 4.973 1.00 . A A . 1 SER CB 1 1 20 4146 1 1 1 SER H1 H 7.412 3.707 2.862 1.00 . A A . 1 SER H1 1 1 20 4147 1 1 1 SER H2 H 8.184 2.263 3.378 1.00 . A A . 1 SER H2 1 1 20 4148 1 1 1 SER H3 H 8.208 3.657 4.379 1.00 . A A . 1 SER H3 1 1 20 4149 1 1 1 SER HA H 6.645 1.947 5.089 1.00 . A A . 1 SER HA 1 1 20 4150 1 1 1 SER HB2 H 5.653 4.678 4.246 1.00 . A A . 1 SER HB2 1 1 20 4151 1 1 1 SER HB3 H 4.751 3.609 5.320 1.00 . A A . 1 SER HB3 1 1 20 4152 1 1 1 SER HG H 6.612 3.644 6.709 1.00 . A A . 1 SER HG 1 1 20 4153 1 1 1 SER N N 7.666 3.114 3.678 1.00 . A A . 1 SER N 1 1 20 4154 1 1 1 SER O O 5.807 1.866 2.143 1.00 . A A . 1 SER O 1 1 20 4155 1 1 1 SER OG O 6.492 4.355 6.076 1.00 . A A . 1 SER OG 1 1 20 4156 1 1 2 TRP C C 2.135 2.009 2.603 1.00 . A A . 2 TRP C 1 1 20 4157 1 1 2 TRP CA C 3.273 1.042 2.905 1.00 . A A . 2 TRP CA 1 1 20 4158 1 1 2 TRP CB C 2.737 -0.237 3.553 1.00 . A A . 2 TRP CB 1 1 20 4159 1 1 2 TRP CD1 C 4.546 -2.035 3.804 1.00 . A A . 2 TRP CD1 1 1 20 4160 1 1 2 TRP CD2 C 3.319 -2.215 1.940 1.00 . A A . 2 TRP CD2 1 1 20 4161 1 1 2 TRP CE2 C 4.279 -3.244 1.945 1.00 . A A . 2 TRP CE2 1 1 20 4162 1 1 2 TRP CE3 C 2.431 -2.129 0.865 1.00 . A A . 2 TRP CE3 1 1 20 4163 1 1 2 TRP CG C 3.508 -1.451 3.136 1.00 . A A . 2 TRP CG 1 1 20 4164 1 1 2 TRP CH2 C 3.494 -4.061 -0.128 1.00 . A A . 2 TRP CH2 1 1 20 4165 1 1 2 TRP CZ2 C 4.376 -4.176 0.913 1.00 . A A . 2 TRP CZ2 1 1 20 4166 1 1 2 TRP CZ3 C 2.527 -3.049 -0.154 1.00 . A A . 2 TRP CZ3 1 1 20 4167 1 1 2 TRP H H 4.049 1.822 4.713 1.00 . A A . 2 TRP H 1 1 20 4168 1 1 2 TRP HA H 3.762 0.784 1.977 1.00 . A A . 2 TRP HA 1 1 20 4169 1 1 2 TRP HB2 H 2.799 -0.146 4.628 1.00 . A A . 2 TRP HB2 1 1 20 4170 1 1 2 TRP HB3 H 1.708 -0.377 3.268 1.00 . A A . 2 TRP HB3 1 1 20 4171 1 1 2 TRP HD1 H 4.933 -1.687 4.751 1.00 . A A . 2 TRP HD1 1 1 20 4172 1 1 2 TRP HE1 H 5.758 -3.693 3.364 1.00 . A A . 2 TRP HE1 1 1 20 4173 1 1 2 TRP HE3 H 1.664 -1.372 0.825 1.00 . A A . 2 TRP HE3 1 1 20 4174 1 1 2 TRP HH2 H 3.533 -4.761 -0.950 1.00 . A A . 2 TRP HH2 1 1 20 4175 1 1 2 TRP HZ2 H 5.116 -4.962 0.920 1.00 . A A . 2 TRP HZ2 1 1 20 4176 1 1 2 TRP HZ3 H 1.851 -2.981 -0.991 1.00 . A A . 2 TRP HZ3 1 1 20 4177 1 1 2 TRP N N 4.267 1.666 3.771 1.00 . A A . 2 TRP N 1 1 20 4178 1 1 2 TRP NE1 N 5.017 -3.113 3.093 1.00 . A A . 2 TRP NE1 1 1 20 4179 1 1 2 TRP O O 1.843 2.901 3.399 1.00 . A A . 2 TRP O 1 1 20 4180 1 1 3 THR C C -0.909 1.934 0.932 1.00 . A A . 3 THR C 1 1 20 4181 1 1 3 THR CA C 0.392 2.714 1.062 1.00 . A A . 3 THR CA 1 1 20 4182 1 1 3 THR CB C 0.711 3.419 -0.257 1.00 . A A . 3 THR CB 1 1 20 4183 1 1 3 THR CG2 C -0.290 4.494 -0.618 1.00 . A A . 3 THR CG2 1 1 20 4184 1 1 3 THR H H 1.768 1.106 0.844 1.00 . A A . 3 THR H 1 1 20 4185 1 1 3 THR HA H 0.274 3.457 1.836 1.00 . A A . 3 THR HA 1 1 20 4186 1 1 3 THR HB H 0.712 2.688 -1.052 1.00 . A A . 3 THR HB 1 1 20 4187 1 1 3 THR HG1 H 2.173 4.460 -1.041 1.00 . A A . 3 THR HG1 1 1 20 4188 1 1 3 THR HG21 H -0.302 5.250 0.154 1.00 . A A . 3 THR HG21 1 1 20 4189 1 1 3 THR HG22 H -1.273 4.056 -0.707 1.00 . A A . 3 THR HG22 1 1 20 4190 1 1 3 THR HG23 H -0.011 4.945 -1.559 1.00 . A A . 3 THR HG23 1 1 20 4191 1 1 3 THR N N 1.494 1.836 1.447 1.00 . A A . 3 THR N 1 1 20 4192 1 1 3 THR O O -1.012 1.004 0.134 1.00 . A A . 3 THR O 1 1 20 4193 1 1 3 THR OG1 O 1.991 4.023 -0.205 1.00 . A A . 3 THR OG1 1 1 20 4194 1 1 4 TRP C C -4.164 2.413 0.785 1.00 . A A . 4 TRP C 1 1 20 4195 1 1 4 TRP CA C -3.202 1.664 1.704 1.00 . A A . 4 TRP CA 1 1 20 4196 1 1 4 TRP CB C -3.766 1.612 3.125 1.00 . A A . 4 TRP CB 1 1 20 4197 1 1 4 TRP CD1 C -6.030 0.851 3.974 1.00 . A A . 4 TRP CD1 1 1 20 4198 1 1 4 TRP CD2 C -4.888 -0.712 2.887 1.00 . A A . 4 TRP CD2 1 1 20 4199 1 1 4 TRP CE2 C -6.111 -1.268 3.288 1.00 . A A . 4 TRP CE2 1 1 20 4200 1 1 4 TRP CE3 C -3.985 -1.489 2.189 1.00 . A A . 4 TRP CE3 1 1 20 4201 1 1 4 TRP CG C -4.866 0.634 3.321 1.00 . A A . 4 TRP CG 1 1 20 4202 1 1 4 TRP CH2 C -5.542 -3.340 2.313 1.00 . A A . 4 TRP CH2 1 1 20 4203 1 1 4 TRP CZ2 C -6.452 -2.586 3.007 1.00 . A A . 4 TRP CZ2 1 1 20 4204 1 1 4 TRP CZ3 C -4.313 -2.801 1.905 1.00 . A A . 4 TRP CZ3 1 1 20 4205 1 1 4 TRP H H -1.755 3.073 2.333 1.00 . A A . 4 TRP H 1 1 20 4206 1 1 4 TRP HA H -3.068 0.662 1.334 1.00 . A A . 4 TRP HA 1 1 20 4207 1 1 4 TRP HB2 H -2.989 1.360 3.817 1.00 . A A . 4 TRP HB2 1 1 20 4208 1 1 4 TRP HB3 H -4.141 2.571 3.369 1.00 . A A . 4 TRP HB3 1 1 20 4209 1 1 4 TRP HD1 H -6.290 1.789 4.429 1.00 . A A . 4 TRP HD1 1 1 20 4210 1 1 4 TRP HE1 H -7.691 -0.383 4.354 1.00 . A A . 4 TRP HE1 1 1 20 4211 1 1 4 TRP HE3 H -3.041 -1.073 1.878 1.00 . A A . 4 TRP HE3 1 1 20 4212 1 1 4 TRP HH2 H -5.761 -4.370 2.073 1.00 . A A . 4 TRP HH2 1 1 20 4213 1 1 4 TRP HZ2 H -7.397 -3.010 3.311 1.00 . A A . 4 TRP HZ2 1 1 20 4214 1 1 4 TRP HZ3 H -3.619 -3.425 1.360 1.00 . A A . 4 TRP HZ3 1 1 20 4215 1 1 4 TRP N N -1.901 2.323 1.721 1.00 . A A . 4 TRP N 1 1 20 4216 1 1 4 TRP NE1 N -6.801 -0.288 3.956 1.00 . A A . 4 TRP NE1 1 1 20 4217 1 1 4 TRP O O -4.418 3.602 0.979 1.00 . A A . 4 TRP O 1 1 20 4218 1 1 5 GLU C C -6.757 1.397 -1.538 1.00 . A A . 5 GLU C 1 1 20 4219 1 1 5 GLU CA C -5.612 2.336 -1.165 1.00 . A A . 5 GLU CA 1 1 20 4220 1 1 5 GLU CB C -4.863 2.765 -2.428 1.00 . A A . 5 GLU CB 1 1 20 4221 1 1 5 GLU CD C -4.211 5.002 -3.405 1.00 . A A . 5 GLU CD 1 1 20 4222 1 1 5 GLU CG C -5.350 4.084 -3.006 1.00 . A A . 5 GLU CG 1 1 20 4223 1 1 5 GLU H H -4.447 0.776 -0.331 1.00 . A A . 5 GLU H 1 1 20 4224 1 1 5 GLU HA H -6.026 3.214 -0.693 1.00 . A A . 5 GLU HA 1 1 20 4225 1 1 5 GLU HB2 H -3.813 2.865 -2.193 1.00 . A A . 5 GLU HB2 1 1 20 4226 1 1 5 GLU HB3 H -4.983 2.001 -3.182 1.00 . A A . 5 GLU HB3 1 1 20 4227 1 1 5 GLU HG2 H -5.950 3.880 -3.880 1.00 . A A . 5 GLU HG2 1 1 20 4228 1 1 5 GLU HG3 H -5.955 4.586 -2.264 1.00 . A A . 5 GLU HG3 1 1 20 4229 1 1 5 GLU N N -4.690 1.718 -0.220 1.00 . A A . 5 GLU N 1 1 20 4230 1 1 5 GLU O O -6.548 0.364 -2.175 1.00 . A A . 5 GLU O 1 1 20 4231 1 1 5 GLU OE1 O -3.640 4.800 -4.497 1.00 . A A . 5 GLU OE1 1 1 20 4232 1 1 5 GLU OE2 O -3.891 5.924 -2.625 1.00 . A A . 5 GLU OE2 1 1 20 4233 1 1 6 ASN C C -8.989 -0.488 -1.153 1.00 . A A . 6 ASN C 1 1 20 4234 1 1 6 ASN CA C -9.169 1.001 -1.459 1.00 . A A . 6 ASN CA 1 1 20 4235 1 1 6 ASN CB C -9.555 1.192 -2.927 1.00 . A A . 6 ASN CB 1 1 20 4236 1 1 6 ASN CG C -10.628 2.247 -3.102 1.00 . A A . 6 ASN CG 1 1 20 4237 1 1 6 ASN H H -8.067 2.624 -0.664 1.00 . A A . 6 ASN H 1 1 20 4238 1 1 6 ASN HA H -9.970 1.382 -0.843 1.00 . A A . 6 ASN HA 1 1 20 4239 1 1 6 ASN HB2 H -8.681 1.498 -3.487 1.00 . A A . 6 ASN HB2 1 1 20 4240 1 1 6 ASN HB3 H -9.927 0.257 -3.324 1.00 . A A . 6 ASN HB3 1 1 20 4241 1 1 6 ASN HD21 H -11.732 1.388 -1.689 1.00 . A A . 6 ASN HD21 1 1 20 4242 1 1 6 ASN HD22 H -12.404 2.805 -2.408 1.00 . A A . 6 ASN HD22 1 1 20 4243 1 1 6 ASN N N -7.971 1.781 -1.154 1.00 . A A . 6 ASN N 1 1 20 4244 1 1 6 ASN ND2 N -11.697 2.135 -2.322 1.00 . A A . 6 ASN ND2 1 1 20 4245 1 1 6 ASN O O -9.361 -1.343 -1.958 1.00 . A A . 6 ASN O 1 1 20 4246 1 1 6 ASN OD1 O -10.499 3.152 -3.926 1.00 . A A . 6 ASN OD1 1 1 20 4247 1 1 7 GLY C C -7.021 -2.819 -0.229 1.00 . A A . 7 GLY C 1 1 20 4248 1 1 7 GLY CA C -8.251 -2.184 0.395 1.00 . A A . 7 GLY CA 1 1 20 4249 1 1 7 GLY H H -8.172 -0.083 0.631 1.00 . A A . 7 GLY H 1 1 20 4250 1 1 7 GLY HA2 H -8.165 -2.240 1.469 1.00 . A A . 7 GLY HA2 1 1 20 4251 1 1 7 GLY HA3 H -9.124 -2.745 0.086 1.00 . A A . 7 GLY HA3 1 1 20 4252 1 1 7 GLY N N -8.439 -0.797 0.016 1.00 . A A . 7 GLY N 1 1 20 4253 1 1 7 GLY O O -6.913 -4.045 -0.277 1.00 . A A . 7 GLY O 1 1 20 4254 1 1 8 LYS C C -3.636 -1.789 -0.825 1.00 . A A . 8 LYS C 1 1 20 4255 1 1 8 LYS CA C -4.878 -2.519 -1.331 1.00 . A A . 8 LYS CA 1 1 20 4256 1 1 8 LYS CB C -4.979 -2.392 -2.852 1.00 . A A . 8 LYS CB 1 1 20 4257 1 1 8 LYS CD C -3.634 -4.528 -3.108 1.00 . A A . 8 LYS CD 1 1 20 4258 1 1 8 LYS CE C -4.928 -5.320 -2.976 1.00 . A A . 8 LYS CE 1 1 20 4259 1 1 8 LYS CG C -3.870 -3.107 -3.612 1.00 . A A . 8 LYS CG 1 1 20 4260 1 1 8 LYS H H -6.223 -1.031 -0.654 1.00 . A A . 8 LYS H 1 1 20 4261 1 1 8 LYS HA H -4.796 -3.562 -1.073 1.00 . A A . 8 LYS HA 1 1 20 4262 1 1 8 LYS HB2 H -5.925 -2.799 -3.173 1.00 . A A . 8 LYS HB2 1 1 20 4263 1 1 8 LYS HB3 H -4.945 -1.344 -3.114 1.00 . A A . 8 LYS HB3 1 1 20 4264 1 1 8 LYS HD2 H -2.987 -5.039 -3.804 1.00 . A A . 8 LYS HD2 1 1 20 4265 1 1 8 LYS HD3 H -3.154 -4.480 -2.144 1.00 . A A . 8 LYS HD3 1 1 20 4266 1 1 8 LYS HE2 H -5.754 -4.697 -3.283 1.00 . A A . 8 LYS HE2 1 1 20 4267 1 1 8 LYS HE3 H -4.872 -6.184 -3.623 1.00 . A A . 8 LYS HE3 1 1 20 4268 1 1 8 LYS HG2 H -4.138 -3.150 -4.656 1.00 . A A . 8 LYS HG2 1 1 20 4269 1 1 8 LYS HG3 H -2.957 -2.540 -3.500 1.00 . A A . 8 LYS HG3 1 1 20 4270 1 1 8 LYS HZ1 H -5.266 -6.814 -1.552 1.00 . A A . 8 LYS HZ1 1 1 20 4271 1 1 8 LYS HZ2 H -6.027 -5.346 -1.197 1.00 . A A . 8 LYS HZ2 1 1 20 4272 1 1 8 LYS HZ3 H -4.358 -5.509 -0.969 1.00 . A A . 8 LYS HZ3 1 1 20 4273 1 1 8 LYS N N -6.091 -1.999 -0.712 1.00 . A A . 8 LYS N 1 1 20 4274 1 1 8 LYS NZ N -5.161 -5.779 -1.576 1.00 . A A . 8 LYS NZ 1 1 20 4275 1 1 8 LYS O O -3.644 -0.573 -0.645 1.00 . A A . 8 LYS O 1 1 20 4276 1 1 9 TRP C C -0.344 -1.745 -1.262 1.00 . A A . 9 TRP C 1 1 20 4277 1 1 9 TRP CA C -1.311 -2.000 -0.113 1.00 . A A . 9 TRP CA 1 1 20 4278 1 1 9 TRP CB C -0.685 -2.976 0.871 1.00 . A A . 9 TRP CB 1 1 20 4279 1 1 9 TRP CD1 C -1.702 -3.689 3.054 1.00 . A A . 9 TRP CD1 1 1 20 4280 1 1 9 TRP CD2 C -0.996 -1.587 3.036 1.00 . A A . 9 TRP CD2 1 1 20 4281 1 1 9 TRP CE2 C -1.526 -1.855 4.308 1.00 . A A . 9 TRP CE2 1 1 20 4282 1 1 9 TRP CE3 C -0.485 -0.326 2.766 1.00 . A A . 9 TRP CE3 1 1 20 4283 1 1 9 TRP CG C -1.121 -2.772 2.267 1.00 . A A . 9 TRP CG 1 1 20 4284 1 1 9 TRP CH2 C -1.041 0.341 5.019 1.00 . A A . 9 TRP CH2 1 1 20 4285 1 1 9 TRP CZ2 C -1.554 -0.895 5.315 1.00 . A A . 9 TRP CZ2 1 1 20 4286 1 1 9 TRP CZ3 C -0.511 0.626 3.757 1.00 . A A . 9 TRP CZ3 1 1 20 4287 1 1 9 TRP H H -2.633 -3.512 -0.757 1.00 . A A . 9 TRP H 1 1 20 4288 1 1 9 TRP HA H -1.515 -1.068 0.397 1.00 . A A . 9 TRP HA 1 1 20 4289 1 1 9 TRP HB2 H -0.939 -3.972 0.587 1.00 . A A . 9 TRP HB2 1 1 20 4290 1 1 9 TRP HB3 H 0.370 -2.882 0.852 1.00 . A A . 9 TRP HB3 1 1 20 4291 1 1 9 TRP HD1 H -1.920 -4.682 2.723 1.00 . A A . 9 TRP HD1 1 1 20 4292 1 1 9 TRP HE1 H -2.372 -3.632 5.048 1.00 . A A . 9 TRP HE1 1 1 20 4293 1 1 9 TRP HE3 H -0.068 -0.091 1.800 1.00 . A A . 9 TRP HE3 1 1 20 4294 1 1 9 TRP HH2 H -1.032 1.117 5.764 1.00 . A A . 9 TRP HH2 1 1 20 4295 1 1 9 TRP HZ2 H -1.960 -1.102 6.294 1.00 . A A . 9 TRP HZ2 1 1 20 4296 1 1 9 TRP HZ3 H -0.125 1.611 3.559 1.00 . A A . 9 TRP HZ3 1 1 20 4297 1 1 9 TRP N N -2.570 -2.549 -0.599 1.00 . A A . 9 TRP N 1 1 20 4298 1 1 9 TRP NE1 N -1.955 -3.159 4.298 1.00 . A A . 9 TRP NE1 1 1 20 4299 1 1 9 TRP O O -0.260 -2.534 -2.203 1.00 . A A . 9 TRP O 1 1 20 4300 1 1 10 THR C C 2.723 -0.011 -1.567 1.00 . A A . 10 THR C 1 1 20 4301 1 1 10 THR CA C 1.365 -0.294 -2.198 1.00 . A A . 10 THR CA 1 1 20 4302 1 1 10 THR CB C 0.888 0.919 -2.999 1.00 . A A . 10 THR CB 1 1 20 4303 1 1 10 THR CG2 C 1.024 0.730 -4.493 1.00 . A A . 10 THR CG2 1 1 20 4304 1 1 10 THR H H 0.287 -0.060 -0.394 1.00 . A A . 10 THR H 1 1 20 4305 1 1 10 THR HA H 1.462 -1.138 -2.865 1.00 . A A . 10 THR HA 1 1 20 4306 1 1 10 THR HB H 1.478 1.781 -2.719 1.00 . A A . 10 THR HB 1 1 20 4307 1 1 10 THR HG1 H -0.580 1.386 -1.789 1.00 . A A . 10 THR HG1 1 1 20 4308 1 1 10 THR HG21 H 0.063 0.876 -4.964 1.00 . A A . 10 THR HG21 1 1 20 4309 1 1 10 THR HG22 H 1.377 -0.271 -4.697 1.00 . A A . 10 THR HG22 1 1 20 4310 1 1 10 THR HG23 H 1.730 1.448 -4.885 1.00 . A A . 10 THR HG23 1 1 20 4311 1 1 10 THR N N 0.393 -0.645 -1.173 1.00 . A A . 10 THR N 1 1 20 4312 1 1 10 THR O O 2.843 0.836 -0.682 1.00 . A A . 10 THR O 1 1 20 4313 1 1 10 THR OG1 O -0.473 1.202 -2.725 1.00 . A A . 10 THR OG1 1 1 20 4314 1 1 11 TRP C C 5.862 0.491 -2.279 1.00 . A A . 11 TRP C 1 1 20 4315 1 1 11 TRP CA C 5.089 -0.561 -1.492 1.00 . A A . 11 TRP CA 1 1 20 4316 1 1 11 TRP CB C 5.841 -1.892 -1.522 1.00 . A A . 11 TRP CB 1 1 20 4317 1 1 11 TRP CD1 C 8.389 -2.103 -1.701 1.00 . A A . 11 TRP CD1 1 1 20 4318 1 1 11 TRP CD2 C 7.663 -1.341 0.274 1.00 . A A . 11 TRP CD2 1 1 20 4319 1 1 11 TRP CE2 C 9.069 -1.409 0.309 1.00 . A A . 11 TRP CE2 1 1 20 4320 1 1 11 TRP CE3 C 6.982 -0.888 1.406 1.00 . A A . 11 TRP CE3 1 1 20 4321 1 1 11 TRP CG C 7.248 -1.791 -1.019 1.00 . A A . 11 TRP CG 1 1 20 4322 1 1 11 TRP CH2 C 9.110 -0.600 2.527 1.00 . A A . 11 TRP CH2 1 1 20 4323 1 1 11 TRP CZ2 C 9.804 -1.041 1.433 1.00 . A A . 11 TRP CZ2 1 1 20 4324 1 1 11 TRP CZ3 C 7.712 -0.522 2.520 1.00 . A A . 11 TRP CZ3 1 1 20 4325 1 1 11 TRP H H 3.584 -1.396 -2.724 1.00 . A A . 11 TRP H 1 1 20 4326 1 1 11 TRP HA H 5.001 -0.233 -0.468 1.00 . A A . 11 TRP HA 1 1 20 4327 1 1 11 TRP HB2 H 5.316 -2.605 -0.903 1.00 . A A . 11 TRP HB2 1 1 20 4328 1 1 11 TRP HB3 H 5.873 -2.259 -2.538 1.00 . A A . 11 TRP HB3 1 1 20 4329 1 1 11 TRP HD1 H 8.409 -2.473 -2.715 1.00 . A A . 11 TRP HD1 1 1 20 4330 1 1 11 TRP HE1 H 10.420 -2.027 -1.172 1.00 . A A . 11 TRP HE1 1 1 20 4331 1 1 11 TRP HE3 H 5.904 -0.821 1.420 1.00 . A A . 11 TRP HE3 1 1 20 4332 1 1 11 TRP HH2 H 9.639 -0.304 3.421 1.00 . A A . 11 TRP HH2 1 1 20 4333 1 1 11 TRP HZ2 H 10.882 -1.094 1.454 1.00 . A A . 11 TRP HZ2 1 1 20 4334 1 1 11 TRP HZ3 H 7.201 -0.170 3.403 1.00 . A A . 11 TRP HZ3 1 1 20 4335 1 1 11 TRP N N 3.742 -0.731 -2.021 1.00 . A A . 11 TRP N 1 1 20 4336 1 1 11 TRP NE1 N 9.488 -1.878 -0.908 1.00 . A A . 11 TRP NE1 1 1 20 4337 1 1 11 TRP O O 5.603 0.714 -3.462 1.00 . A A . 11 TRP O 1 1 20 4338 1 1 12 LYS C C 8.684 2.696 -1.279 1.00 . A A . 12 LYS C 1 1 20 4339 1 1 12 LYS CA C 7.633 2.161 -2.247 1.00 . A A . 12 LYS CA 1 1 20 4340 1 1 12 LYS CB C 6.752 3.309 -2.746 1.00 . A A . 12 LYS CB 1 1 20 4341 1 1 12 LYS CD C 4.596 4.393 -2.039 1.00 . A A . 12 LYS CD 1 1 20 4342 1 1 12 LYS CE C 4.570 5.296 -3.263 1.00 . A A . 12 LYS CE 1 1 20 4343 1 1 12 LYS CG C 6.019 4.041 -1.633 1.00 . A A . 12 LYS CG 1 1 20 4344 1 1 12 LYS H H 6.977 0.909 -0.671 1.00 . A A . 12 LYS H 1 1 20 4345 1 1 12 LYS HA H 8.134 1.711 -3.091 1.00 . A A . 12 LYS HA 1 1 20 4346 1 1 12 LYS HB2 H 7.372 4.022 -3.269 1.00 . A A . 12 LYS HB2 1 1 20 4347 1 1 12 LYS HB3 H 6.019 2.912 -3.432 1.00 . A A . 12 LYS HB3 1 1 20 4348 1 1 12 LYS HD2 H 4.061 3.483 -2.265 1.00 . A A . 12 LYS HD2 1 1 20 4349 1 1 12 LYS HD3 H 4.114 4.902 -1.217 1.00 . A A . 12 LYS HD3 1 1 20 4350 1 1 12 LYS HE2 H 4.180 6.261 -2.974 1.00 . A A . 12 LYS HE2 1 1 20 4351 1 1 12 LYS HE3 H 5.579 5.413 -3.632 1.00 . A A . 12 LYS HE3 1 1 20 4352 1 1 12 LYS HG2 H 5.987 3.408 -0.759 1.00 . A A . 12 LYS HG2 1 1 20 4353 1 1 12 LYS HG3 H 6.554 4.950 -1.401 1.00 . A A . 12 LYS HG3 1 1 20 4354 1 1 12 LYS HZ1 H 4.305 4.209 -5.027 1.00 . A A . 12 LYS HZ1 1 1 20 4355 1 1 12 LYS HZ2 H 3.230 5.503 -4.851 1.00 . A A . 12 LYS HZ2 1 1 20 4356 1 1 12 LYS HZ3 H 3.007 4.091 -3.947 1.00 . A A . 12 LYS HZ3 1 1 20 4357 1 1 12 LYS N N 6.817 1.134 -1.612 1.00 . A A . 12 LYS N 1 1 20 4358 1 1 12 LYS NZ N 3.718 4.736 -4.348 1.00 . A A . 12 LYS NZ 1 1 20 4359 1 1 12 LYS O O 8.354 3.331 -0.277 1.00 . A A . 12 LYS O 1 1 20 4360 1 1 13 NH2 N N 9.944 2.343 -1.505 1.00 . A A . 13 NH2 N 1 1 stop_ save_
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