NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
596104 | 2n0f | 25523 | cing | 4-filtered-FRED | STAR | entry | full | 104 |
data_FRED_restraints_with_modified_coordinates_PDB_code_2n0f # This FRED archive file contains, for PDB entry <2n0f>: # # - 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_2n0f _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 2n0f _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "not present" _Assembly.Molecular_mass 1105.27 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 $Gastrin_releasing_peptide A . 1 1 stop_ save_ save_Gastrin_releasing_peptide _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name "Gastrin releasing peptide" _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code GNHWAVGHLMX _Entity.Number_of_monomers 11 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 GLY . 1 1 2 ASN . 1 1 3 HIS . 1 1 4 TRP . 1 1 5 ALA . 1 1 6 VAL . 1 1 7 GLY . 1 1 8 HIS . 1 1 9 LEU . 1 1 10 MET . 1 1 11 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 GLY 1 1 1 1 ASN 2 2 1 1 HIS 3 3 1 1 TRP 4 4 1 1 ALA 5 5 1 1 VAL 6 6 1 1 GLY 7 7 1 1 HIS 8 8 1 1 LEU 9 9 1 1 MET 10 10 1 1 NH2 11 11 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_DYANA/DIANA_distance_constraints_2_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID . _Distance_constraint_list.Block_ID . loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . 1 1 2 1 . . . 1 1 3 1 . . . 1 1 4 1 . . . 1 1 5 1 . . . 1 1 6 1 . . . 1 1 7 1 . . . 1 1 8 1 . . . 1 1 9 1 . . . 1 1 10 1 . . . 1 1 11 1 . . . 1 1 12 1 . . . 1 1 13 1 . . . 1 1 14 1 . . . 1 1 15 1 . . . 1 1 16 1 . . . 1 1 17 1 . . . 1 1 18 1 . . . 1 1 19 1 . . . 1 1 20 1 . . . 1 1 21 1 . . . 1 1 22 1 . . . 1 1 23 1 . . . 1 1 24 1 . . . 1 1 25 1 . . . 1 1 26 1 . . . 1 1 27 1 . . . 1 1 28 1 . . . 1 1 29 1 . . . 1 1 30 1 . . . 1 1 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 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 1 1 3 HIS HA . 3 HIS HA 1 1 1 1 2 1 1 3 HIS QB . 3 HIS QB 1 1 2 1 1 1 1 3 HIS HA . 3 HIS HA 1 1 2 1 2 1 1 3 HIS HD2 . 3 HIS HD2 1 1 3 1 1 1 1 3 HIS QB . 3 HIS QB 1 1 3 1 2 1 1 3 HIS HD2 . 3 HIS HD2 1 1 4 1 1 1 1 3 HIS QB . 3 HIS QB 1 1 4 1 2 1 1 4 TRP H . 4 TRP H 1 1 5 1 1 1 1 3 HIS QB . 3 HIS QB 1 1 5 1 2 1 1 4 TRP QB . 4 TRP QB 1 1 6 1 1 1 1 3 HIS QB . 3 HIS QB 1 1 6 1 2 1 1 5 ALA H . 5 ALA H 1 1 7 1 1 1 1 3 HIS QB . 3 HIS QB 1 1 7 1 2 1 1 6 VAL HA . 6 VAL HA 1 1 8 1 1 1 1 3 HIS QB . 3 HIS QB 1 1 8 1 2 1 1 6 VAL HB . 6 VAL HB 1 1 9 1 1 1 1 3 HIS QB . 3 HIS QB 1 1 9 1 2 1 1 6 VAL MG2 . 6 VAL QG2 1 1 10 1 1 1 1 4 TRP H . 4 TRP H 1 1 10 1 2 1 1 4 TRP QB . 4 TRP QB 1 1 11 1 1 1 1 4 TRP H . 4 TRP H 1 1 11 1 2 1 1 4 TRP HD1 . 4 TRP HD1 1 1 12 1 1 1 1 4 TRP H . 4 TRP H 1 1 12 1 2 1 1 5 ALA H . 5 ALA H 1 1 13 1 1 1 1 4 TRP H . 4 TRP H 1 1 13 1 2 1 1 5 ALA MB . 5 ALA QB 1 1 14 1 1 1 1 4 TRP H . 4 TRP H 1 1 14 1 2 1 1 6 VAL H . 6 VAL H 1 1 15 1 1 1 1 4 TRP HA . 4 TRP HA 1 1 15 1 2 1 1 4 TRP QB . 4 TRP QB 1 1 16 1 1 1 1 4 TRP HA . 4 TRP HA 1 1 16 1 2 1 1 4 TRP HE3 . 4 TRP HE3 1 1 17 1 1 1 1 4 TRP HA . 4 TRP HA 1 1 17 1 2 1 1 5 ALA HA . 5 ALA HA 1 1 18 1 1 1 1 4 TRP HA . 4 TRP HA 1 1 18 1 2 1 1 5 ALA MB . 5 ALA QB 1 1 19 1 1 1 1 4 TRP HA . 4 TRP HA 1 1 19 1 2 1 1 6 VAL H . 6 VAL H 1 1 20 1 1 1 1 4 TRP HA . 4 TRP HA 1 1 20 1 2 1 1 7 GLY H . 7 GLY H 1 1 21 1 1 1 1 4 TRP QB . 4 TRP QB 1 1 21 1 2 1 1 4 TRP HD1 . 4 TRP HD1 1 1 22 1 1 1 1 4 TRP QB . 4 TRP QB 1 1 22 1 2 1 1 4 TRP HE1 . 4 TRP HE1 1 1 23 1 1 1 1 4 TRP QB . 4 TRP QB 1 1 23 1 2 1 1 4 TRP HE3 . 4 TRP HE3 1 1 24 1 1 1 1 4 TRP QB . 4 TRP QB 1 1 24 1 2 1 1 4 TRP HZ3 . 4 TRP HZ3 1 1 25 1 1 1 1 4 TRP QB . 4 TRP QB 1 1 25 1 2 1 1 5 ALA H . 5 ALA H 1 1 26 1 1 1 1 4 TRP QB . 4 TRP QB 1 1 26 1 2 1 1 5 ALA HA . 5 ALA HA 1 1 27 1 1 1 1 4 TRP QB . 4 TRP QB 1 1 27 1 2 1 1 5 ALA MB . 5 ALA QB 1 1 28 1 1 1 1 4 TRP QB . 4 TRP QB 1 1 28 1 2 1 1 6 VAL H . 6 VAL H 1 1 29 1 1 1 1 4 TRP QB . 4 TRP QB 1 1 29 1 2 1 1 7 GLY QA . 7 GLY QA 1 1 30 1 1 1 1 4 TRP QB . 4 TRP QB 1 1 30 1 2 1 1 8 HIS HD2 . 8 HIS HD2 1 1 31 1 1 1 1 4 TRP HD1 . 4 TRP HD1 1 1 31 1 2 1 1 5 ALA H . 5 ALA H 1 1 32 1 1 1 1 4 TRP HD1 . 4 TRP HD1 1 1 32 1 2 1 1 5 ALA MB . 5 ALA QB 1 1 33 1 1 1 1 4 TRP HD1 . 4 TRP HD1 1 1 33 1 2 1 1 6 VAL MG2 . 6 VAL QG2 1 1 34 1 1 1 1 4 TRP HE3 . 4 TRP HE3 1 1 34 1 2 1 1 5 ALA H . 5 ALA H 1 1 35 1 1 1 1 4 TRP HE3 . 4 TRP HE3 1 1 35 1 2 1 1 5 ALA HA . 5 ALA HA 1 1 36 1 1 1 1 4 TRP HE3 . 4 TRP HE3 1 1 36 1 2 1 1 5 ALA MB . 5 ALA QB 1 1 37 1 1 1 1 4 TRP HE3 . 4 TRP HE3 1 1 37 1 2 1 1 8 HIS H . 8 HIS H 1 1 38 1 1 1 1 4 TRP HH2 . 4 TRP HH2 1 1 38 1 2 1 1 5 ALA HA . 5 ALA HA 1 1 39 1 1 1 1 4 TRP HH2 . 4 TRP HH2 1 1 39 1 2 1 1 5 ALA MB . 5 ALA QB 1 1 40 1 1 1 1 4 TRP HH2 . 4 TRP HH2 1 1 40 1 2 1 1 9 LEU MD1 . 9 LEU QD1 1 1 41 1 1 1 1 4 TRP HZ2 . 4 TRP HZ2 1 1 41 1 2 1 1 5 ALA MB . 5 ALA QB 1 1 42 1 1 1 1 4 TRP HZ3 . 4 TRP HZ3 1 1 42 1 2 1 1 5 ALA HA . 5 ALA HA 1 1 43 1 1 1 1 4 TRP HZ3 . 4 TRP HZ3 1 1 43 1 2 1 1 5 ALA MB . 5 ALA QB 1 1 44 1 1 1 1 4 TRP HZ3 . 4 TRP HZ3 1 1 44 1 2 1 1 8 HIS HB2 . 8 HIS HB2 1 1 45 1 1 1 1 4 TRP HZ3 . 4 TRP HZ3 1 1 45 1 2 1 1 8 HIS HB3 . 8 HIS HB3 1 1 46 1 1 1 1 4 TRP HZ3 . 4 TRP HZ3 1 1 46 1 2 1 1 9 LEU MD2 . 9 LEU QD2 1 1 47 1 1 1 1 4 TRP HZ3 . 4 TRP HZ3 1 1 47 1 2 1 1 9 LEU HG . 9 LEU HG 1 1 48 1 1 1 1 5 ALA H . 5 ALA H 1 1 48 1 2 1 1 5 ALA MB . 5 ALA QB 1 1 49 1 1 1 1 5 ALA H . 5 ALA H 1 1 49 1 2 1 1 6 VAL H . 6 VAL H 1 1 50 1 1 1 1 5 ALA H . 5 ALA H 1 1 50 1 2 1 1 6 VAL MG2 . 6 VAL QG2 1 1 51 1 1 1 1 5 ALA HA . 5 ALA HA 1 1 51 1 2 1 1 6 VAL HA . 6 VAL HA 1 1 52 1 1 1 1 5 ALA HA . 5 ALA HA 1 1 52 1 2 1 1 8 HIS HB2 . 8 HIS HB2 1 1 53 1 1 1 1 5 ALA HA . 5 ALA HA 1 1 53 1 2 1 1 8 HIS HB3 . 8 HIS HB3 1 1 54 1 1 1 1 5 ALA MB . 5 ALA QB 1 1 54 1 2 1 1 6 VAL H . 6 VAL H 1 1 55 1 1 1 1 5 ALA MB . 5 ALA QB 1 1 55 1 2 1 1 6 VAL HA . 6 VAL HA 1 1 56 1 1 1 1 5 ALA MB . 5 ALA QB 1 1 56 1 2 1 1 6 VAL HB . 6 VAL HB 1 1 57 1 1 1 1 5 ALA MB . 5 ALA QB 1 1 57 1 2 1 1 6 VAL MG2 . 6 VAL QG2 1 1 58 1 1 1 1 5 ALA MB . 5 ALA QB 1 1 58 1 2 1 1 9 LEU MD1 . 9 LEU QD1 1 1 59 1 1 1 1 6 VAL H . 6 VAL H 1 1 59 1 2 1 1 6 VAL HB . 6 VAL HB 1 1 60 1 1 1 1 6 VAL H . 6 VAL H 1 1 60 1 2 1 1 6 VAL MG1 . 6 VAL QG1 1 1 61 1 1 1 1 6 VAL H . 6 VAL H 1 1 61 1 2 1 1 6 VAL MG2 . 6 VAL QG2 1 1 62 1 1 1 1 6 VAL H . 6 VAL H 1 1 62 1 2 1 1 7 GLY H . 7 GLY H 1 1 63 1 1 1 1 6 VAL H . 6 VAL H 1 1 63 1 2 1 1 8 HIS H . 8 HIS H 1 1 64 1 1 1 1 6 VAL HA . 6 VAL HA 1 1 64 1 2 1 1 6 VAL HB . 6 VAL HB 1 1 65 1 1 1 1 6 VAL HA . 6 VAL HA 1 1 65 1 2 1 1 6 VAL MG1 . 6 VAL QG1 1 1 66 1 1 1 1 6 VAL HA . 6 VAL HA 1 1 66 1 2 1 1 6 VAL MG2 . 6 VAL QG2 1 1 67 1 1 1 1 6 VAL HA . 6 VAL HA 1 1 67 1 2 1 1 9 LEU H . 9 LEU H 1 1 68 1 1 1 1 6 VAL HA . 6 VAL HA 1 1 68 1 2 1 1 10 MET H . 10 MET H 1 1 69 1 1 1 1 6 VAL HB . 6 VAL HB 1 1 69 1 2 1 1 7 GLY H . 7 GLY H 1 1 70 1 1 1 1 6 VAL MG1 . 6 VAL QG1 1 1 70 1 2 1 1 7 GLY H . 7 GLY H 1 1 71 1 1 1 1 6 VAL MG2 . 6 VAL QG2 1 1 71 1 2 1 1 7 GLY H . 7 GLY H 1 1 72 1 1 1 1 7 GLY H . 7 GLY H 1 1 72 1 2 1 1 7 GLY QA . 7 GLY QA 1 1 73 1 1 1 1 7 GLY H . 7 GLY H 1 1 73 1 2 1 1 8 HIS H . 8 HIS H 1 1 74 1 1 1 1 7 GLY H . 7 GLY H 1 1 74 1 2 1 1 9 LEU H . 9 LEU H 1 1 75 1 1 1 1 7 GLY H . 7 GLY H 1 1 75 1 2 1 1 10 MET H . 10 MET H 1 1 76 1 1 1 1 7 GLY QA . 7 GLY QA 1 1 76 1 2 1 1 8 HIS H . 8 HIS H 1 1 77 1 1 1 1 7 GLY QA . 7 GLY QA 1 1 77 1 2 1 1 8 HIS HA . 8 HIS HA 1 1 78 1 1 1 1 7 GLY QA . 7 GLY QA 1 1 78 1 2 1 1 8 HIS HD2 . 8 HIS HD2 1 1 79 1 1 1 1 7 GLY QA . 7 GLY QA 1 1 79 1 2 1 1 9 LEU H . 9 LEU H 1 1 80 1 1 1 1 7 GLY QA . 7 GLY QA 1 1 80 1 2 1 1 10 MET H . 10 MET H 1 1 81 1 1 1 1 8 HIS H . 8 HIS H 1 1 81 1 2 1 1 8 HIS HB2 . 8 HIS HB2 1 1 82 1 1 1 1 8 HIS H . 8 HIS H 1 1 82 1 2 1 1 8 HIS HB3 . 8 HIS HB3 1 1 83 1 1 1 1 8 HIS H . 8 HIS H 1 1 83 1 2 1 1 8 HIS HD2 . 8 HIS HD2 1 1 84 1 1 1 1 8 HIS H . 8 HIS H 1 1 84 1 2 1 1 9 LEU H . 9 LEU H 1 1 85 1 1 1 1 8 HIS HA . 8 HIS HA 1 1 85 1 2 1 1 8 HIS HD2 . 8 HIS HD2 1 1 86 1 1 1 1 8 HIS HB2 . 8 HIS HB2 1 1 86 1 2 1 1 8 HIS HD2 . 8 HIS HD2 1 1 87 1 1 1 1 8 HIS HB2 . 8 HIS HB2 1 1 87 1 2 1 1 9 LEU H . 9 LEU H 1 1 88 1 1 1 1 8 HIS HB3 . 8 HIS HB3 1 1 88 1 2 1 1 9 LEU H . 9 LEU H 1 1 89 1 1 1 1 9 LEU H . 9 LEU H 1 1 89 1 2 1 1 9 LEU QB . 9 LEU QB 1 1 90 1 1 1 1 9 LEU H . 9 LEU H 1 1 90 1 2 1 1 9 LEU MD1 . 9 LEU QD1 1 1 91 1 1 1 1 9 LEU H . 9 LEU H 1 1 91 1 2 1 1 9 LEU MD2 . 9 LEU QD2 1 1 92 1 1 1 1 9 LEU H . 9 LEU H 1 1 92 1 2 1 1 9 LEU HG . 9 LEU HG 1 1 93 1 1 1 1 9 LEU HA . 9 LEU HA 1 1 93 1 2 1 1 9 LEU MD1 . 9 LEU QD1 1 1 94 1 1 1 1 9 LEU HA . 9 LEU HA 1 1 94 1 2 1 1 9 LEU MD2 . 9 LEU QD2 1 1 95 1 1 1 1 9 LEU HB2 . 9 LEU HB2 1 1 95 1 2 1 1 9 LEU MD1 . 9 LEU QD1 1 1 96 1 1 1 1 9 LEU HB3 . 9 LEU HB3 1 1 96 1 2 1 1 9 LEU MD1 . 9 LEU QD1 1 1 97 1 1 1 1 9 LEU MD1 . 9 LEU QD1 1 1 97 1 2 1 1 10 MET H . 10 MET H 1 1 98 1 1 1 1 10 MET H . 10 MET H 1 1 98 1 2 1 1 10 MET HB2 . 10 MET HB2 1 1 99 1 1 1 1 10 MET H . 10 MET H 1 1 99 1 2 1 1 10 MET QB . 10 MET QB 1 1 100 1 1 1 1 10 MET H . 10 MET H 1 1 100 1 2 1 1 10 MET HB3 . 10 MET HB3 1 1 101 1 1 1 1 10 MET H . 10 MET H 1 1 101 1 2 1 1 10 MET ME . 10 MET QE 1 1 102 1 1 1 1 10 MET H . 10 MET H 1 1 102 1 2 1 1 10 MET HG2 . 10 MET HG2 1 1 103 1 1 1 1 10 MET H . 10 MET H 1 1 103 1 2 1 1 10 MET QG . 10 MET QG 1 1 104 1 1 1 1 10 MET H . 10 MET H 1 1 104 1 2 1 1 10 MET HG3 . 10 MET HG3 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 . . . . . . . 2.78 1 1 2 1 . . . . . . . 3.91 1 1 3 1 . . . . . . . 3.22 1 1 4 1 . . . . . . . 3.72 1 1 5 1 . . . . . . . 4.5 1 1 6 1 . . . . . . . 4.68 1 1 7 1 . . . . . . . 5.12 1 1 8 1 . . . . . . . 4.5 1 1 9 1 . . . . . . . 4.28 1 1 10 1 . . . . . . . 2.94 1 1 11 1 . . . . . . . 3.56 1 1 12 1 . . . . . . . 3.56 1 1 13 1 . . . . . . . 4.56 1 1 14 1 . . . . . . . 4.77 1 1 15 1 . . . . . . . 2.68 1 1 16 1 . . . . . . . 4.34 1 1 17 1 . . . . . . . 4.8 1 1 18 1 . . . . . . . 5.04 1 1 19 1 . . . . . . . 4.18 1 1 20 1 . . . . . . . 4.24 1 1 21 1 . . . . . . . 2.69 1 1 22 1 . . . . . . . 4.73 1 1 23 1 . . . . . . . 3.05 1 1 24 1 . . . . . . . 5.36 1 1 25 1 . . . . . . . 3.64 1 1 26 1 . . . . . . . 4.65 1 1 27 1 . . . . . . . 4.63 1 1 28 1 . . . . . . . 4.89 1 1 29 1 . . . . . . . 5.5 1 1 30 1 . . . . . . . 5.5 1 1 31 1 . . . . . . . 4.16 1 1 32 1 . . . . . . . 4.69 1 1 33 1 . . . . . . . 5.5 1 1 34 1 . . . . . . . 4.24 1 1 35 1 . . . . . . . 3.64 1 1 36 1 . . . . . . . 4.31 1 1 37 1 . . . . . . . 4.55 1 1 38 1 . . . . . . . 4.85 1 1 39 1 . . . . . . . 4.9 1 1 40 1 . . . . . . . 5.21 1 1 41 1 . . . . . . . 5.04 1 1 42 1 . . . . . . . 4.13 1 1 43 1 . . . . . . . 4.25 1 1 44 1 . . . . . . . 4.53 1 1 45 1 . . . . . . . 4.63 1 1 46 1 . . . . . . . 4.36 1 1 47 1 . . . . . . . 5.04 1 1 48 1 . . . . . . . 3.11 1 1 49 1 . . . . . . . 3.39 1 1 50 1 . . . . . . . 4.04 1 1 51 1 . . . . . . . 4.81 1 1 52 1 . . . . . . . 4.22 1 1 53 1 . . . . . . . 4.6 1 1 54 1 . . . . . . . 3.4 1 1 55 1 . . . . . . . 4.19 1 1 56 1 . . . . . . . 5.29 1 1 57 1 . . . . . . . 4.11 1 1 58 1 . . . . . . . 4.33 1 1 59 1 . . . . . . . 3.06 1 1 60 1 . . . . . . . 3.9 1 1 61 1 . . . . . . . 3.08 1 1 62 1 . . . . . . . 3.6 1 1 63 1 . . . . . . . 5.41 1 1 64 1 . . . . . . . 3.02 1 1 65 1 . . . . . . . 3.09 1 1 66 1 . . . . . . . 3.01 1 1 67 1 . . . . . . . 5.19 1 1 68 1 . . . . . . . 4.47 1 1 69 1 . . . . . . . 3.5 1 1 70 1 . . . . . . . 4.08 1 1 71 1 . . . . . . . 4.49 1 1 72 1 . . . . . . . 2.51 1 1 73 1 . . . . . . . 3.81 1 1 74 1 . . . . . . . 4.42 1 1 75 1 . . . . . . . 4.76 1 1 76 1 . . . . . . . 3.26 1 1 77 1 . . . . . . . 4.22 1 1 78 1 . . . . . . . 4.3 1 1 79 1 . . . . . . . 5.49 1 1 80 1 . . . . . . . 5.04 1 1 81 1 . . . . . . . 3.61 1 1 82 1 . . . . . . . 3.7 1 1 83 1 . . . . . . . 4.04 1 1 84 1 . . . . . . . 3.64 1 1 85 1 . . . . . . . 3.47 1 1 86 1 . . . . . . . 3.52 1 1 87 1 . . . . . . . 3.82 1 1 88 1 . . . . . . . 3.82 1 1 89 1 . . . . . . . 3.15 1 1 90 1 . . . . . . . 4.2 1 1 91 1 . . . . . . . 4.26 1 1 92 1 . . . . . . . 3.31 1 1 93 1 . . . . . . . 4.14 1 1 94 1 . . . . . . . 3.33 1 1 95 1 . . . . . . . 3.51 1 1 96 1 . . . . . . . 3.51 1 1 97 1 . . . . . . . 5.43 1 1 98 1 . . . . . . . 3.91 1 1 99 1 . . . . . . . 3.21 1 1 100 1 . . . . . . . 3.91 1 1 101 1 . . . . . . . 3.76 1 1 102 1 . . . . . . . 4.52 1 1 103 1 . . . . . . . 3.83 1 1 104 1 . . . . . . . 4.52 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 GLY C C -6.125 1.398 2.620 1.00 . A A . 1 GLY C 1 1 1 2 1 1 1 GLY CA C -6.800 1.958 3.856 1.00 . A A . 1 GLY CA 1 1 1 3 1 1 1 GLY H1 H -6.734 0.088 4.688 1.00 . A A . 1 GLY H1 1 1 1 4 1 1 1 GLY H2 H -7.448 1.273 5.676 1.00 . A A . 1 GLY H2 1 1 1 5 1 1 1 GLY H3 H -5.762 1.237 5.468 1.00 . A A . 1 GLY H3 1 1 1 6 1 1 1 GLY HA2 H -7.857 2.111 3.641 1.00 . A A . 1 GLY HA2 1 1 1 7 1 1 1 GLY HA3 H -6.346 2.919 4.100 1.00 . A A . 1 GLY HA3 1 1 1 8 1 1 1 GLY N N -6.678 1.077 5.003 1.00 . A A . 1 GLY N 1 1 1 9 1 1 1 GLY O O -5.821 0.207 2.557 1.00 . A A . 1 GLY O 1 1 1 10 1 1 2 ASN C C -3.933 2.583 0.185 1.00 . A A . 2 ASN C 1 1 1 11 1 1 2 ASN CA C -5.251 1.841 0.392 1.00 . A A . 2 ASN CA 1 1 1 12 1 1 2 ASN CB C -6.181 2.090 -0.795 1.00 . A A . 2 ASN CB 1 1 1 13 1 1 2 ASN CG C -7.362 1.138 -0.815 1.00 . A A . 2 ASN CG 1 1 1 14 1 1 2 ASN H H -6.170 3.233 1.746 1.00 . A A . 2 ASN H 1 1 1 15 1 1 2 ASN HA H -5.033 0.771 0.427 1.00 . A A . 2 ASN HA 1 1 1 16 1 1 2 ASN HB2 H -6.552 3.113 -0.739 1.00 . A A . 2 ASN HB2 1 1 1 17 1 1 2 ASN HB3 H -5.619 1.964 -1.723 1.00 . A A . 2 ASN HB3 1 1 1 18 1 1 2 ASN HD21 H -8.258 2.160 0.713 1.00 . A A . 2 ASN HD21 1 1 1 19 1 1 2 ASN HD22 H -9.135 0.755 0.099 1.00 . A A . 2 ASN HD22 1 1 1 20 1 1 2 ASN N N -5.892 2.258 1.634 1.00 . A A . 2 ASN N 1 1 1 21 1 1 2 ASN ND2 N -8.324 1.372 0.069 1.00 . A A . 2 ASN ND2 1 1 1 22 1 1 2 ASN O O -3.719 3.212 -0.851 1.00 . A A . 2 ASN O 1 1 1 23 1 1 2 ASN OD1 O -7.407 0.205 -1.616 1.00 . A A . 2 ASN OD1 1 1 1 24 1 1 3 HIS C C -0.940 2.634 -0.069 1.00 . A A . 3 HIS C 1 1 1 25 1 1 3 HIS CA C -1.756 3.167 1.105 1.00 . A A . 3 HIS CA 1 1 1 26 1 1 3 HIS CB C -0.984 2.969 2.410 1.00 . A A . 3 HIS CB 1 1 1 27 1 1 3 HIS CD2 C -1.001 5.336 3.471 1.00 . A A . 3 HIS CD2 1 1 1 28 1 1 3 HIS CE1 C -2.053 4.846 5.332 1.00 . A A . 3 HIS CE1 1 1 1 29 1 1 3 HIS CG C -1.280 4.012 3.444 1.00 . A A . 3 HIS CG 1 1 1 30 1 1 3 HIS H H -3.289 1.963 2.011 1.00 . A A . 3 HIS H 1 1 1 31 1 1 3 HIS HA H -1.920 4.234 0.952 1.00 . A A . 3 HIS HA 1 1 1 32 1 1 3 HIS HB2 H -1.264 2.021 2.849 1.00 . A A . 3 HIS HB2 1 1 1 33 1 1 3 HIS HB3 H 0.091 2.968 2.214 1.00 . A A . 3 HIS HB3 1 1 1 34 1 1 3 HIS HD1 H -2.284 2.820 4.908 1.00 . A A . 3 HIS HD1 1 1 1 35 1 1 3 HIS HD2 H -0.308 5.842 2.815 1.00 . A A . 3 HIS HD2 1 1 1 36 1 1 3 HIS HE1 H -2.524 4.929 6.301 1.00 . A A . 3 HIS HE1 1 1 1 37 1 1 3 HIS N N -3.053 2.504 1.179 1.00 . A A . 3 HIS N 1 1 1 38 1 1 3 HIS ND1 N -1.938 3.736 4.624 1.00 . A A . 3 HIS ND1 1 1 1 39 1 1 3 HIS NE2 N -1.492 5.832 4.654 1.00 . A A . 3 HIS NE2 1 1 1 40 1 1 3 HIS O O -1.391 1.755 -0.802 1.00 . A A . 3 HIS O 1 1 1 41 1 1 4 TRP C C 1.808 1.418 -0.999 1.00 . A A . 4 TRP C 1 1 1 42 1 1 4 TRP CA C 1.142 2.750 -1.324 1.00 . A A . 4 TRP CA 1 1 1 43 1 1 4 TRP CB C 2.206 3.816 -1.588 1.00 . A A . 4 TRP CB 1 1 1 44 1 1 4 TRP CD1 C 2.977 4.814 0.643 1.00 . A A . 4 TRP CD1 1 1 1 45 1 1 4 TRP CD2 C 4.429 3.374 -0.271 1.00 . A A . 4 TRP CD2 1 1 1 46 1 1 4 TRP CE2 C 4.968 3.846 0.941 1.00 . A A . 4 TRP CE2 1 1 1 47 1 1 4 TRP CE3 C 5.164 2.454 -1.023 1.00 . A A . 4 TRP CE3 1 1 1 48 1 1 4 TRP CG C 3.154 4.005 -0.443 1.00 . A A . 4 TRP CG 1 1 1 49 1 1 4 TRP CH2 C 6.908 2.528 0.660 1.00 . A A . 4 TRP CH2 1 1 1 50 1 1 4 TRP CZ2 C 6.208 3.429 1.416 1.00 . A A . 4 TRP CZ2 1 1 1 51 1 1 4 TRP CZ3 C 6.396 2.042 -0.551 1.00 . A A . 4 TRP CZ3 1 1 1 52 1 1 4 TRP H H 0.578 3.900 0.404 1.00 . A A . 4 TRP H 1 1 1 53 1 1 4 TRP HA H 0.545 2.623 -2.229 1.00 . A A . 4 TRP HA 1 1 1 54 1 1 4 TRP HB2 H 2.778 3.533 -2.470 1.00 . A A . 4 TRP HB2 1 1 1 55 1 1 4 TRP HB3 H 1.704 4.763 -1.785 1.00 . A A . 4 TRP HB3 1 1 1 56 1 1 4 TRP HD1 H 2.111 5.434 0.819 1.00 . A A . 4 TRP HD1 1 1 1 57 1 1 4 TRP HE1 H 4.190 5.223 2.361 1.00 . A A . 4 TRP HE1 1 1 1 58 1 1 4 TRP HE3 H 4.774 2.076 -1.956 1.00 . A A . 4 TRP HE3 1 1 1 59 1 1 4 TRP HH2 H 7.873 2.188 1.004 1.00 . A A . 4 TRP HH2 1 1 1 60 1 1 4 TRP HZ2 H 6.606 3.801 2.349 1.00 . A A . 4 TRP HZ2 1 1 1 61 1 1 4 TRP HZ3 H 6.969 1.332 -1.129 1.00 . A A . 4 TRP HZ3 1 1 1 62 1 1 4 TRP N N 0.262 3.173 -0.239 1.00 . A A . 4 TRP N 1 1 1 63 1 1 4 TRP NE1 N 4.064 4.724 1.479 1.00 . A A . 4 TRP NE1 1 1 1 64 1 1 4 TRP O O 1.958 0.561 -1.868 1.00 . A A . 4 TRP O 1 1 1 65 1 1 5 ALA C C 1.895 -1.162 0.622 1.00 . A A . 5 ALA C 1 1 1 66 1 1 5 ALA CA C 2.853 0.022 0.698 1.00 . A A . 5 ALA CA 1 1 1 67 1 1 5 ALA CB C 3.384 0.183 2.114 1.00 . A A . 5 ALA CB 1 1 1 68 1 1 5 ALA H H 2.051 1.999 0.934 1.00 . A A . 5 ALA H 1 1 1 69 1 1 5 ALA HA H 3.692 -0.175 0.027 1.00 . A A . 5 ALA HA 1 1 1 70 1 1 5 ALA HB1 H 4.387 -0.226 2.185 1.00 . A A . 5 ALA HB1 1 1 1 71 1 1 5 ALA HB2 H 2.731 -0.316 2.832 1.00 . A A . 5 ALA HB2 1 1 1 72 1 1 5 ALA HB3 H 3.420 1.246 2.353 1.00 . A A . 5 ALA HB3 1 1 1 73 1 1 5 ALA N N 2.206 1.251 0.259 1.00 . A A . 5 ALA N 1 1 1 74 1 1 5 ALA O O 2.316 -2.317 0.657 1.00 . A A . 5 ALA O 1 1 1 75 1 1 6 VAL C C -0.326 -2.659 -0.888 1.00 . A A . 6 VAL C 1 1 1 76 1 1 6 VAL CA C -0.415 -1.905 0.434 1.00 . A A . 6 VAL CA 1 1 1 77 1 1 6 VAL CB C -1.832 -1.317 0.581 1.00 . A A . 6 VAL CB 1 1 1 78 1 1 6 VAL CG1 C -2.849 -2.424 0.809 1.00 . A A . 6 VAL CG1 1 1 1 79 1 1 6 VAL CG2 C -1.872 -0.303 1.715 1.00 . A A . 6 VAL CG2 1 1 1 80 1 1 6 VAL H H 0.319 0.114 0.489 1.00 . A A . 6 VAL H 1 1 1 81 1 1 6 VAL HA H -0.254 -2.606 1.250 1.00 . A A . 6 VAL HA 1 1 1 82 1 1 6 VAL HB H -2.091 -0.805 -0.348 1.00 . A A . 6 VAL HB 1 1 1 83 1 1 6 VAL HG11 H -2.571 -2.983 1.702 1.00 . A A . 6 VAL HG11 1 1 1 84 1 1 6 VAL HG12 H -2.864 -3.095 -0.051 1.00 . A A . 6 VAL HG12 1 1 1 85 1 1 6 VAL HG13 H -3.839 -1.990 0.947 1.00 . A A . 6 VAL HG13 1 1 1 86 1 1 6 VAL HG21 H -1.598 -0.792 2.650 1.00 . A A . 6 VAL HG21 1 1 1 87 1 1 6 VAL HG22 H -2.871 0.124 1.801 1.00 . A A . 6 VAL HG22 1 1 1 88 1 1 6 VAL HG23 H -1.159 0.476 1.485 1.00 . A A . 6 VAL HG23 1 1 1 89 1 1 6 VAL N N 0.603 -0.865 0.516 1.00 . A A . 6 VAL N 1 1 1 90 1 1 6 VAL O O -0.747 -3.811 -0.987 1.00 . A A . 6 VAL O 1 1 1 91 1 1 7 GLY C C 1.624 -3.460 -3.320 1.00 . A A . 7 GLY C 1 1 1 92 1 1 7 GLY CA C 0.363 -2.625 -3.205 1.00 . A A . 7 GLY CA 1 1 1 93 1 1 7 GLY H H 0.559 -1.047 -1.761 1.00 . A A . 7 GLY H 1 1 1 94 1 1 7 GLY HA2 H -0.503 -3.262 -3.399 1.00 . A A . 7 GLY HA2 1 1 1 95 1 1 7 GLY HA3 H 0.396 -1.841 -3.961 1.00 . A A . 7 GLY HA3 1 1 1 96 1 1 7 GLY N N 0.227 -2.001 -1.902 1.00 . A A . 7 GLY N 1 1 1 97 1 1 7 GLY O O 1.567 -4.638 -3.674 1.00 . A A . 7 GLY O 1 1 1 98 1 1 8 HIS C C 4.134 -4.633 -2.030 1.00 . A A . 8 HIS C 1 1 1 99 1 1 8 HIS CA C 4.046 -3.543 -3.094 1.00 . A A . 8 HIS CA 1 1 1 100 1 1 8 HIS CB C 5.197 -2.552 -2.923 1.00 . A A . 8 HIS CB 1 1 1 101 1 1 8 HIS CD2 C 5.222 -1.450 -5.270 1.00 . A A . 8 HIS CD2 1 1 1 102 1 1 8 HIS CE1 C 7.338 -1.762 -5.750 1.00 . A A . 8 HIS CE1 1 1 1 103 1 1 8 HIS CG C 5.786 -2.090 -4.220 1.00 . A A . 8 HIS CG 1 1 1 104 1 1 8 HIS H H 2.747 -1.868 -2.737 1.00 . A A . 8 HIS H 1 1 1 105 1 1 8 HIS HA H 4.129 -4.016 -4.074 1.00 . A A . 8 HIS HA 1 1 1 106 1 1 8 HIS HB2 H 4.823 -1.680 -2.390 1.00 . A A . 8 HIS HB2 1 1 1 107 1 1 8 HIS HB3 H 5.996 -3.007 -2.329 1.00 . A A . 8 HIS HB3 1 1 1 108 1 1 8 HIS HD1 H 7.813 -2.726 -3.966 1.00 . A A . 8 HIS HD1 1 1 1 109 1 1 8 HIS HD2 H 4.161 -1.334 -5.436 1.00 . A A . 8 HIS HD2 1 1 1 110 1 1 8 HIS HE1 H 8.287 -1.761 -6.265 1.00 . A A . 8 HIS HE1 1 1 1 111 1 1 8 HIS N N 2.766 -2.848 -3.021 1.00 . A A . 8 HIS N 1 1 1 112 1 1 8 HIS ND1 N 7.113 -2.271 -4.552 1.00 . A A . 8 HIS ND1 1 1 1 113 1 1 8 HIS NE2 N 6.206 -1.258 -6.209 1.00 . A A . 8 HIS NE2 1 1 1 114 1 1 8 HIS O O 4.217 -5.820 -2.346 1.00 . A A . 8 HIS O 1 1 1 115 1 1 9 LEU C C 3.053 -6.173 0.286 1.00 . A A . 9 LEU C 1 1 1 116 1 1 9 LEU CA C 4.194 -5.162 0.345 1.00 . A A . 9 LEU CA 1 1 1 117 1 1 9 LEU CB C 4.156 -4.411 1.678 1.00 . A A . 9 LEU CB 1 1 1 118 1 1 9 LEU CD1 C 4.967 -2.566 3.169 1.00 . A A . 9 LEU CD1 1 1 1 119 1 1 9 LEU CD2 C 6.477 -3.506 1.410 1.00 . A A . 9 LEU CD2 1 1 1 120 1 1 9 LEU CG C 5.039 -3.167 1.774 1.00 . A A . 9 LEU CG 1 1 1 121 1 1 9 LEU H H 4.050 -3.223 -0.571 1.00 . A A . 9 LEU H 1 1 1 122 1 1 9 LEU HA H 5.140 -5.699 0.277 1.00 . A A . 9 LEU HA 1 1 1 123 1 1 9 LEU HB2 H 3.129 -4.118 1.884 1.00 . A A . 9 LEU HB2 1 1 1 124 1 1 9 LEU HB3 H 4.476 -5.104 2.459 1.00 . A A . 9 LEU HB3 1 1 1 125 1 1 9 LEU HD11 H 5.203 -3.346 3.893 1.00 . A A . 9 LEU HD11 1 1 1 126 1 1 9 LEU HD12 H 3.967 -2.190 3.365 1.00 . A A . 9 LEU HD12 1 1 1 127 1 1 9 LEU HD13 H 5.693 -1.759 3.266 1.00 . A A . 9 LEU HD13 1 1 1 128 1 1 9 LEU HD21 H 7.116 -2.644 1.601 1.00 . A A . 9 LEU HD21 1 1 1 129 1 1 9 LEU HD22 H 6.539 -3.777 0.356 1.00 . A A . 9 LEU HD22 1 1 1 130 1 1 9 LEU HD23 H 6.808 -4.345 2.021 1.00 . A A . 9 LEU HD23 1 1 1 131 1 1 9 LEU HG H 4.663 -2.428 1.064 1.00 . A A . 9 LEU HG 1 1 1 132 1 1 9 LEU N N 4.115 -4.221 -0.766 1.00 . A A . 9 LEU N 1 1 1 133 1 1 9 LEU O O 3.281 -7.372 0.126 1.00 . A A . 9 LEU O 1 1 1 134 1 1 10 MET C C 0.082 -6.615 -1.045 1.00 . A A . 10 MET C 1 1 1 135 1 1 10 MET CA C 0.649 -6.540 0.369 1.00 . A A . 10 MET CA 1 1 1 136 1 1 10 MET CB C -0.421 -6.027 1.334 1.00 . A A . 10 MET CB 1 1 1 137 1 1 10 MET CE C 2.228 -7.370 3.588 1.00 . A A . 10 MET CE 1 1 1 138 1 1 10 MET CG C -0.293 -6.591 2.740 1.00 . A A . 10 MET CG 1 1 1 139 1 1 10 MET H H 1.701 -4.676 0.542 1.00 . A A . 10 MET H 1 1 1 140 1 1 10 MET HA H 0.933 -7.551 0.671 1.00 . A A . 10 MET HA 1 1 1 141 1 1 10 MET HB2 H -0.328 -4.948 1.399 1.00 . A A . 10 MET HB2 1 1 1 142 1 1 10 MET HB3 H -1.416 -6.269 0.949 1.00 . A A . 10 MET HB3 1 1 1 143 1 1 10 MET HE1 H 2.460 -7.628 2.555 1.00 . A A . 10 MET HE1 1 1 1 144 1 1 10 MET HE2 H 3.152 -7.143 4.122 1.00 . A A . 10 MET HE2 1 1 1 145 1 1 10 MET HE3 H 1.728 -8.211 4.069 1.00 . A A . 10 MET HE3 1 1 1 146 1 1 10 MET HG2 H -1.190 -6.344 3.306 1.00 . A A . 10 MET HG2 1 1 1 147 1 1 10 MET HG3 H -0.208 -7.677 2.677 1.00 . A A . 10 MET HG3 1 1 1 148 1 1 10 MET N N 1.825 -5.680 0.413 1.00 . A A . 10 MET N 1 1 1 149 1 1 10 MET O O -0.950 -7.241 -1.222 1.00 . A A . 10 MET O 1 1 1 150 1 1 10 MET SD S 1.142 -5.945 3.619 1.00 . A A . 10 MET SD 1 1 2 151 1 1 1 GLY C C -5.740 2.894 2.530 1.00 . A A . 1 GLY C 1 1 2 152 1 1 1 GLY CA C -6.109 2.720 3.989 1.00 . A A . 1 GLY CA 1 1 2 153 1 1 1 GLY H1 H -5.312 1.239 5.158 1.00 . A A . 1 GLY H1 1 1 2 154 1 1 1 GLY H2 H -4.794 2.808 5.556 1.00 . A A . 1 GLY H2 1 1 2 155 1 1 1 GLY H3 H -4.189 2.034 4.168 1.00 . A A . 1 GLY H3 1 1 2 156 1 1 1 GLY HA2 H -6.970 2.056 4.056 1.00 . A A . 1 GLY HA2 1 1 2 157 1 1 1 GLY HA3 H -6.379 3.691 4.404 1.00 . A A . 1 GLY HA3 1 1 2 158 1 1 1 GLY N N -5.025 2.160 4.774 1.00 . A A . 1 GLY N 1 1 2 159 1 1 1 GLY O O -5.580 4.017 2.053 1.00 . A A . 1 GLY O 1 1 2 160 1 1 2 ASN C C -3.931 2.565 0.194 1.00 . A A . 2 ASN C 1 1 2 161 1 1 2 ASN CA C -5.243 1.814 0.405 1.00 . A A . 2 ASN CA 1 1 2 162 1 1 2 ASN CB C -6.359 2.474 -0.407 1.00 . A A . 2 ASN CB 1 1 2 163 1 1 2 ASN CG C -6.420 1.957 -1.831 1.00 . A A . 2 ASN CG 1 1 2 164 1 1 2 ASN H H -5.744 0.879 2.276 1.00 . A A . 2 ASN H 1 1 2 165 1 1 2 ASN HA H -5.116 0.787 0.059 1.00 . A A . 2 ASN HA 1 1 2 166 1 1 2 ASN HB2 H -7.310 2.252 0.076 1.00 . A A . 2 ASN HB2 1 1 2 167 1 1 2 ASN HB3 H -6.215 3.557 -0.419 1.00 . A A . 2 ASN HB3 1 1 2 168 1 1 2 ASN HD21 H -6.288 3.860 -2.569 1.00 . A A . 2 ASN HD21 1 1 2 169 1 1 2 ASN HD22 H -6.391 2.567 -3.770 1.00 . A A . 2 ASN HD22 1 1 2 170 1 1 2 ASN N N -5.599 1.780 1.820 1.00 . A A . 2 ASN N 1 1 2 171 1 1 2 ASN ND2 N -6.361 2.868 -2.795 1.00 . A A . 2 ASN ND2 1 1 2 172 1 1 2 ASN O O -3.726 3.197 -0.843 1.00 . A A . 2 ASN O 1 1 2 173 1 1 2 ASN OD1 O -6.520 0.752 -2.062 1.00 . A A . 2 ASN OD1 1 1 2 174 1 1 3 HIS C C -0.935 2.628 -0.069 1.00 . A A . 3 HIS C 1 1 2 175 1 1 3 HIS CA C -1.753 3.160 1.105 1.00 . A A . 3 HIS CA 1 1 2 176 1 1 3 HIS CB C -0.978 2.972 2.408 1.00 . A A . 3 HIS CB 1 1 2 177 1 1 3 HIS CD2 C -2.422 4.579 3.843 1.00 . A A . 3 HIS CD2 1 1 2 178 1 1 3 HIS CE1 C -0.807 5.544 4.969 1.00 . A A . 3 HIS CE1 1 1 2 179 1 1 3 HIS CG C -1.255 4.033 3.428 1.00 . A A . 3 HIS CG 1 1 2 180 1 1 3 HIS H H -3.275 1.947 2.014 1.00 . A A . 3 HIS H 1 1 2 181 1 1 3 HIS HA H -1.926 4.226 0.948 1.00 . A A . 3 HIS HA 1 1 2 182 1 1 3 HIS HB2 H -1.265 2.033 2.861 1.00 . A A . 3 HIS HB2 1 1 2 183 1 1 3 HIS HB3 H 0.097 2.958 2.208 1.00 . A A . 3 HIS HB3 1 1 2 184 1 1 3 HIS HD1 H 0.738 4.471 4.072 1.00 . A A . 3 HIS HD1 1 1 2 185 1 1 3 HIS HD2 H -3.374 4.474 3.344 1.00 . A A . 3 HIS HD2 1 1 2 186 1 1 3 HIS HE1 H -0.270 6.179 5.658 1.00 . A A . 3 HIS HE1 1 1 2 187 1 1 3 HIS N N -3.046 2.489 1.182 1.00 . A A . 3 HIS N 1 1 2 188 1 1 3 HIS ND1 N -0.262 4.659 4.152 1.00 . A A . 3 HIS ND1 1 1 2 189 1 1 3 HIS NE2 N -2.117 5.514 4.800 1.00 . A A . 3 HIS NE2 1 1 2 190 1 1 3 HIS O O -1.384 1.746 -0.801 1.00 . A A . 3 HIS O 1 1 2 191 1 1 4 TRP C C 1.810 1.418 -1.003 1.00 . A A . 4 TRP C 1 1 2 192 1 1 4 TRP CA C 1.144 2.752 -1.326 1.00 . A A . 4 TRP CA 1 1 2 193 1 1 4 TRP CB C 2.209 3.817 -1.589 1.00 . A A . 4 TRP CB 1 1 2 194 1 1 4 TRP CD1 C 2.980 4.812 0.644 1.00 . A A . 4 TRP CD1 1 1 2 195 1 1 4 TRP CD2 C 4.430 3.373 -0.273 1.00 . A A . 4 TRP CD2 1 1 2 196 1 1 4 TRP CE2 C 4.970 3.843 0.940 1.00 . A A . 4 TRP CE2 1 1 2 197 1 1 4 TRP CE3 C 5.166 2.454 -1.027 1.00 . A A . 4 TRP CE3 1 1 2 198 1 1 4 TRP CG C 3.156 4.004 -0.443 1.00 . A A . 4 TRP CG 1 1 2 199 1 1 4 TRP CH2 C 6.910 2.526 0.657 1.00 . A A . 4 TRP CH2 1 1 2 200 1 1 4 TRP CZ2 C 6.211 3.426 1.414 1.00 . A A . 4 TRP CZ2 1 1 2 201 1 1 4 TRP CZ3 C 6.398 2.042 -0.555 1.00 . A A . 4 TRP CZ3 1 1 2 202 1 1 4 TRP H H 0.578 3.900 0.401 1.00 . A A . 4 TRP H 1 1 2 203 1 1 4 TRP HA H 0.547 2.627 -2.230 1.00 . A A . 4 TRP HA 1 1 2 204 1 1 4 TRP HB2 H 2.781 3.533 -2.471 1.00 . A A . 4 TRP HB2 1 1 2 205 1 1 4 TRP HB3 H 1.707 4.765 -1.786 1.00 . A A . 4 TRP HB3 1 1 2 206 1 1 4 TRP HD1 H 2.113 5.432 0.820 1.00 . A A . 4 TRP HD1 1 1 2 207 1 1 4 TRP HE1 H 4.193 5.218 2.361 1.00 . A A . 4 TRP HE1 1 1 2 208 1 1 4 TRP HE3 H 4.776 2.077 -1.961 1.00 . A A . 4 TRP HE3 1 1 2 209 1 1 4 TRP HH2 H 7.876 2.186 1.001 1.00 . A A . 4 TRP HH2 1 1 2 210 1 1 4 TRP HZ2 H 6.609 3.798 2.347 1.00 . A A . 4 TRP HZ2 1 1 2 211 1 1 4 TRP HZ3 H 6.971 1.334 -1.134 1.00 . A A . 4 TRP HZ3 1 1 2 212 1 1 4 TRP N N 0.265 3.171 -0.241 1.00 . A A . 4 TRP N 1 1 2 213 1 1 4 TRP NE1 N 4.067 4.720 1.480 1.00 . A A . 4 TRP NE1 1 1 2 214 1 1 4 TRP O O 1.962 0.562 -1.873 1.00 . A A . 4 TRP O 1 1 2 215 1 1 5 ALA C C 1.896 -1.163 0.617 1.00 . A A . 5 ALA C 1 1 2 216 1 1 5 ALA CA C 2.854 0.020 0.694 1.00 . A A . 5 ALA CA 1 1 2 217 1 1 5 ALA CB C 3.387 0.180 2.110 1.00 . A A . 5 ALA CB 1 1 2 218 1 1 5 ALA H H 2.051 1.997 0.931 1.00 . A A . 5 ALA H 1 1 2 219 1 1 5 ALA HA H 3.692 -0.176 0.022 1.00 . A A . 5 ALA HA 1 1 2 220 1 1 5 ALA HB1 H 4.406 -0.187 2.169 1.00 . A A . 5 ALA HB1 1 1 2 221 1 1 5 ALA HB2 H 2.759 -0.355 2.824 1.00 . A A . 5 ALA HB2 1 1 2 222 1 1 5 ALA HB3 H 3.382 1.240 2.366 1.00 . A A . 5 ALA HB3 1 1 2 223 1 1 5 ALA N N 2.207 1.250 0.254 1.00 . A A . 5 ALA N 1 1 2 224 1 1 5 ALA O O 2.317 -2.319 0.650 1.00 . A A . 5 ALA O 1 1 2 225 1 1 6 VAL C C -0.327 -2.658 -0.891 1.00 . A A . 6 VAL C 1 1 2 226 1 1 6 VAL CA C -0.415 -1.906 0.432 1.00 . A A . 6 VAL CA 1 1 2 227 1 1 6 VAL CB C -1.829 -1.318 0.584 1.00 . A A . 6 VAL CB 1 1 2 228 1 1 6 VAL CG1 C -2.847 -2.426 0.812 1.00 . A A . 6 VAL CG1 1 1 2 229 1 1 6 VAL CG2 C -1.867 -0.307 1.720 1.00 . A A . 6 VAL CG2 1 1 2 230 1 1 6 VAL H H 0.322 0.112 0.491 1.00 . A A . 6 VAL H 1 1 2 231 1 1 6 VAL HA H -0.246 -2.584 1.251 1.00 . A A . 6 VAL HA 1 1 2 232 1 1 6 VAL HB H -2.090 -0.803 -0.343 1.00 . A A . 6 VAL HB 1 1 2 233 1 1 6 VAL HG11 H -2.819 -3.129 -0.020 1.00 . A A . 6 VAL HG11 1 1 2 234 1 1 6 VAL HG12 H -3.846 -1.995 0.891 1.00 . A A . 6 VAL HG12 1 1 2 235 1 1 6 VAL HG13 H -2.602 -2.947 1.737 1.00 . A A . 6 VAL HG13 1 1 2 236 1 1 6 VAL HG21 H -2.865 0.122 1.807 1.00 . A A . 6 VAL HG21 1 1 2 237 1 1 6 VAL HG22 H -1.152 0.471 1.495 1.00 . A A . 6 VAL HG22 1 1 2 238 1 1 6 VAL HG23 H -1.595 -0.800 2.653 1.00 . A A . 6 VAL HG23 1 1 2 239 1 1 6 VAL N N 0.605 -0.867 0.514 1.00 . A A . 6 VAL N 1 1 2 240 1 1 6 VAL O O -0.749 -3.809 -0.993 1.00 . A A . 6 VAL O 1 1 2 241 1 1 7 GLY C C 1.618 -3.452 -3.329 1.00 . A A . 7 GLY C 1 1 2 242 1 1 7 GLY CA C 0.358 -2.619 -3.210 1.00 . A A . 7 GLY CA 1 1 2 243 1 1 7 GLY H H 0.556 -1.043 -1.764 1.00 . A A . 7 GLY H 1 1 2 244 1 1 7 GLY HA2 H -0.508 -3.257 -3.402 1.00 . A A . 7 GLY HA2 1 1 2 245 1 1 7 GLY HA3 H 0.389 -1.834 -3.965 1.00 . A A . 7 GLY HA3 1 1 2 246 1 1 7 GLY N N 0.225 -1.998 -1.905 1.00 . A A . 7 GLY N 1 1 2 247 1 1 7 GLY O O 1.564 -4.623 -3.706 1.00 . A A . 7 GLY O 1 1 2 248 1 1 8 HIS C C 4.136 -4.619 -2.009 1.00 . A A . 8 HIS C 1 1 2 249 1 1 8 HIS CA C 4.039 -3.542 -3.084 1.00 . A A . 8 HIS CA 1 1 2 250 1 1 8 HIS CB C 5.191 -2.547 -2.932 1.00 . A A . 8 HIS CB 1 1 2 251 1 1 8 HIS CD2 C 5.161 -1.451 -5.282 1.00 . A A . 8 HIS CD2 1 1 2 252 1 1 8 HIS CE1 C 7.276 -1.725 -5.789 1.00 . A A . 8 HIS CE1 1 1 2 253 1 1 8 HIS CG C 5.753 -2.078 -4.238 1.00 . A A . 8 HIS CG 1 1 2 254 1 1 8 HIS H H 2.739 -1.874 -2.707 1.00 . A A . 8 HIS H 1 1 2 255 1 1 8 HIS HA H 4.115 -4.024 -4.060 1.00 . A A . 8 HIS HA 1 1 2 256 1 1 8 HIS HB2 H 4.825 -1.679 -2.388 1.00 . A A . 8 HIS HB2 1 1 2 257 1 1 8 HIS HB3 H 6.002 -3.003 -2.355 1.00 . A A . 8 HIS HB3 1 1 2 258 1 1 8 HIS HD1 H 7.794 -2.675 -4.010 1.00 . A A . 8 HIS HD1 1 1 2 259 1 1 8 HIS HD2 H 4.187 -0.984 -5.260 1.00 . A A . 8 HIS HD2 1 1 2 260 1 1 8 HIS HE1 H 8.219 -1.705 -6.317 1.00 . A A . 8 HIS HE1 1 1 2 261 1 1 8 HIS N N 2.758 -2.848 -3.009 1.00 . A A . 8 HIS N 1 1 2 262 1 1 8 HIS ND1 N 7.078 -2.234 -4.587 1.00 . A A . 8 HIS ND1 1 1 2 263 1 1 8 HIS NE2 N 6.130 -1.243 -6.233 1.00 . A A . 8 HIS NE2 1 1 2 264 1 1 8 HIS O O 4.313 -5.800 -2.313 1.00 . A A . 8 HIS O 1 1 2 265 1 1 9 LEU C C 2.906 -6.094 0.364 1.00 . A A . 9 LEU C 1 1 2 266 1 1 9 LEU CA C 4.094 -5.137 0.370 1.00 . A A . 9 LEU CA 1 1 2 267 1 1 9 LEU CB C 4.140 -4.370 1.692 1.00 . A A . 9 LEU CB 1 1 2 268 1 1 9 LEU CD1 C 5.060 -2.519 3.109 1.00 . A A . 9 LEU CD1 1 1 2 269 1 1 9 LEU CD2 C 6.416 -3.437 1.219 1.00 . A A . 9 LEU CD2 1 1 2 270 1 1 9 LEU CG C 5.013 -3.116 1.712 1.00 . A A . 9 LEU CG 1 1 2 271 1 1 9 LEU H H 3.878 -3.214 -0.566 1.00 . A A . 9 LEU H 1 1 2 272 1 1 9 LEU HA H 5.011 -5.718 0.274 1.00 . A A . 9 LEU HA 1 1 2 273 1 1 9 LEU HB2 H 3.126 -4.079 1.963 1.00 . A A . 9 LEU HB2 1 1 2 274 1 1 9 LEU HB3 H 4.515 -5.050 2.461 1.00 . A A . 9 LEU HB3 1 1 2 275 1 1 9 LEU HD11 H 4.080 -2.146 3.391 1.00 . A A . 9 LEU HD11 1 1 2 276 1 1 9 LEU HD12 H 5.790 -1.710 3.144 1.00 . A A . 9 LEU HD12 1 1 2 277 1 1 9 LEU HD13 H 5.361 -3.298 3.809 1.00 . A A . 9 LEU HD13 1 1 2 278 1 1 9 LEU HD21 H 6.825 -4.248 1.822 1.00 . A A . 9 LEU HD21 1 1 2 279 1 1 9 LEU HD22 H 7.050 -2.555 1.318 1.00 . A A . 9 LEU HD22 1 1 2 280 1 1 9 LEU HD23 H 6.382 -3.744 0.174 1.00 . A A . 9 LEU HD23 1 1 2 281 1 1 9 LEU HG H 4.577 -2.379 1.042 1.00 . A A . 9 LEU HG 1 1 2 282 1 1 9 LEU N N 4.019 -4.207 -0.751 1.00 . A A . 9 LEU N 1 1 2 283 1 1 9 LEU O O 3.067 -7.299 0.167 1.00 . A A . 9 LEU O 1 1 2 284 1 1 10 MET C C -0.063 -6.522 -0.816 1.00 . A A . 10 MET C 1 1 2 285 1 1 10 MET CA C 0.497 -6.354 0.593 1.00 . A A . 10 MET CA 1 1 2 286 1 1 10 MET CB C -0.555 -5.712 1.500 1.00 . A A . 10 MET CB 1 1 2 287 1 1 10 MET CE C -0.638 -3.858 4.640 1.00 . A A . 10 MET CE 1 1 2 288 1 1 10 MET CG C -0.380 -6.054 2.971 1.00 . A A . 10 MET CG 1 1 2 289 1 1 10 MET H H 1.645 -4.545 0.735 1.00 . A A . 10 MET H 1 1 2 290 1 1 10 MET HA H 0.732 -7.345 0.988 1.00 . A A . 10 MET HA 1 1 2 291 1 1 10 MET HB2 H -0.509 -4.651 1.383 1.00 . A A . 10 MET HB2 1 1 2 292 1 1 10 MET HB3 H -1.549 -6.055 1.199 1.00 . A A . 10 MET HB3 1 1 2 293 1 1 10 MET HE1 H -0.041 -3.443 3.828 1.00 . A A . 10 MET HE1 1 1 2 294 1 1 10 MET HE2 H -1.307 -3.090 5.029 1.00 . A A . 10 MET HE2 1 1 2 295 1 1 10 MET HE3 H 0.021 -4.205 5.436 1.00 . A A . 10 MET HE3 1 1 2 296 1 1 10 MET HG2 H -0.463 -7.133 3.099 1.00 . A A . 10 MET HG2 1 1 2 297 1 1 10 MET HG3 H 0.616 -5.735 3.278 1.00 . A A . 10 MET HG3 1 1 2 298 1 1 10 MET N N 1.713 -5.550 0.578 1.00 . A A . 10 MET N 1 1 2 299 1 1 10 MET O O -1.166 -7.028 -0.943 1.00 . A A . 10 MET O 1 1 2 300 1 1 10 MET SD S -1.597 -5.239 4.023 1.00 . A A . 10 MET SD 1 1 3 301 1 1 1 GLY C C -6.007 1.423 2.643 1.00 . A A . 1 GLY C 1 1 3 302 1 1 1 GLY CA C -6.708 1.989 3.864 1.00 . A A . 1 GLY CA 1 1 3 303 1 1 1 GLY H1 H -7.231 0.550 5.225 1.00 . A A . 1 GLY H1 1 1 3 304 1 1 1 GLY H2 H -6.358 1.853 5.878 1.00 . A A . 1 GLY H2 1 1 3 305 1 1 1 GLY H3 H -5.565 0.677 4.943 1.00 . A A . 1 GLY H3 1 1 3 306 1 1 1 GLY HA2 H -7.782 2.002 3.678 1.00 . A A . 1 GLY HA2 1 1 3 307 1 1 1 GLY HA3 H -6.365 3.011 4.026 1.00 . A A . 1 GLY HA3 1 1 3 308 1 1 1 GLY N N -6.448 1.213 5.062 1.00 . A A . 1 GLY N 1 1 3 309 1 1 1 GLY O O -5.580 0.270 2.645 1.00 . A A . 1 GLY O 1 1 3 310 1 1 2 ASN C C -3.922 2.553 0.162 1.00 . A A . 2 ASN C 1 1 3 311 1 1 2 ASN CA C -5.240 1.810 0.367 1.00 . A A . 2 ASN CA 1 1 3 312 1 1 2 ASN CB C -6.163 2.048 -0.831 1.00 . A A . 2 ASN CB 1 1 3 313 1 1 2 ASN CG C -7.574 1.552 -0.579 1.00 . A A . 2 ASN CG 1 1 3 314 1 1 2 ASN H H -6.269 3.183 1.660 1.00 . A A . 2 ASN H 1 1 3 315 1 1 2 ASN HA H -5.025 0.739 0.412 1.00 . A A . 2 ASN HA 1 1 3 316 1 1 2 ASN HB2 H -6.205 3.119 -1.030 1.00 . A A . 2 ASN HB2 1 1 3 317 1 1 2 ASN HB3 H -5.756 1.539 -1.705 1.00 . A A . 2 ASN HB3 1 1 3 318 1 1 2 ASN HD21 H -6.874 -0.300 -0.069 1.00 . A A . 2 ASN HD21 1 1 3 319 1 1 2 ASN HD22 H -8.627 -0.087 0.000 1.00 . A A . 2 ASN HD22 1 1 3 320 1 1 2 ASN N N -5.891 2.238 1.599 1.00 . A A . 2 ASN N 1 1 3 321 1 1 2 ASN ND2 N -7.697 0.291 -0.185 1.00 . A A . 2 ASN ND2 1 1 3 322 1 1 2 ASN O O -3.698 3.163 -0.884 1.00 . A A . 2 ASN O 1 1 3 323 1 1 2 ASN OD1 O -8.542 2.296 -0.738 1.00 . A A . 2 ASN OD1 1 1 3 324 1 1 3 HIS C C -0.938 2.630 -0.074 1.00 . A A . 3 HIS C 1 1 3 325 1 1 3 HIS CA C -1.760 3.162 1.098 1.00 . A A . 3 HIS CA 1 1 3 326 1 1 3 HIS CB C -0.990 2.965 2.404 1.00 . A A . 3 HIS CB 1 1 3 327 1 1 3 HIS CD2 C -2.419 4.645 3.771 1.00 . A A . 3 HIS CD2 1 1 3 328 1 1 3 HIS CE1 C -0.825 5.473 5.027 1.00 . A A . 3 HIS CE1 1 1 3 329 1 1 3 HIS CG C -1.266 4.025 3.427 1.00 . A A . 3 HIS CG 1 1 3 330 1 1 3 HIS H H -3.300 1.969 2.006 1.00 . A A . 3 HIS H 1 1 3 331 1 1 3 HIS HA H -1.927 4.229 0.944 1.00 . A A . 3 HIS HA 1 1 3 332 1 1 3 HIS HB2 H -1.288 2.028 2.854 1.00 . A A . 3 HIS HB2 1 1 3 333 1 1 3 HIS HB3 H 0.085 2.943 2.209 1.00 . A A . 3 HIS HB3 1 1 3 334 1 1 3 HIS HD1 H 0.700 4.310 4.215 1.00 . A A . 3 HIS HD1 1 1 3 335 1 1 3 HIS HD2 H -3.410 4.316 3.496 1.00 . A A . 3 HIS HD2 1 1 3 336 1 1 3 HIS HE1 H -0.295 6.057 5.766 1.00 . A A . 3 HIS HE1 1 1 3 337 1 1 3 HIS N N -3.055 2.495 1.167 1.00 . A A . 3 HIS N 1 1 3 338 1 1 3 HIS ND1 N -0.286 4.567 4.231 1.00 . A A . 3 HIS ND1 1 1 3 339 1 1 3 HIS NE2 N -2.119 5.540 4.768 1.00 . A A . 3 HIS NE2 1 1 3 340 1 1 3 HIS O O -1.386 1.752 -0.811 1.00 . A A . 3 HIS O 1 1 3 341 1 1 4 TRP C C 1.814 1.420 -0.997 1.00 . A A . 4 TRP C 1 1 3 342 1 1 4 TRP CA C 1.147 2.752 -1.323 1.00 . A A . 4 TRP CA 1 1 3 343 1 1 4 TRP CB C 2.212 3.819 -1.582 1.00 . A A . 4 TRP CB 1 1 3 344 1 1 4 TRP CD1 C 2.978 4.813 0.653 1.00 . A A . 4 TRP CD1 1 1 3 345 1 1 4 TRP CD2 C 4.431 3.375 -0.262 1.00 . A A . 4 TRP CD2 1 1 3 346 1 1 4 TRP CE2 C 4.967 3.846 0.953 1.00 . A A . 4 TRP CE2 1 1 3 347 1 1 4 TRP CE3 C 5.169 2.457 -1.014 1.00 . A A . 4 TRP CE3 1 1 3 348 1 1 4 TRP CG C 3.157 4.006 -0.434 1.00 . A A . 4 TRP CG 1 1 3 349 1 1 4 TRP CH2 C 6.909 2.529 0.672 1.00 . A A . 4 TRP CH2 1 1 3 350 1 1 4 TRP CZ2 C 6.207 3.428 1.429 1.00 . A A . 4 TRP CZ2 1 1 3 351 1 1 4 TRP CZ3 C 6.399 2.045 -0.540 1.00 . A A . 4 TRP CZ3 1 1 3 352 1 1 4 TRP H H 0.575 3.898 0.405 1.00 . A A . 4 TRP H 1 1 3 353 1 1 4 TRP HA H 0.554 2.627 -2.230 1.00 . A A . 4 TRP HA 1 1 3 354 1 1 4 TRP HB2 H 2.786 3.536 -2.463 1.00 . A A . 4 TRP HB2 1 1 3 355 1 1 4 TRP HB3 H 1.710 4.768 -1.779 1.00 . A A . 4 TRP HB3 1 1 3 356 1 1 4 TRP HD1 H 2.111 5.433 0.828 1.00 . A A . 4 TRP HD1 1 1 3 357 1 1 4 TRP HE1 H 4.188 5.218 2.374 1.00 . A A . 4 TRP HE1 1 1 3 358 1 1 4 TRP HE3 H 4.780 2.080 -1.949 1.00 . A A . 4 TRP HE3 1 1 3 359 1 1 4 TRP HH2 H 7.874 2.189 1.017 1.00 . A A . 4 TRP HH2 1 1 3 360 1 1 4 TRP HZ2 H 6.603 3.800 2.363 1.00 . A A . 4 TRP HZ2 1 1 3 361 1 1 4 TRP HZ3 H 6.974 1.336 -1.118 1.00 . A A . 4 TRP HZ3 1 1 3 362 1 1 4 TRP N N 0.264 3.171 -0.240 1.00 . A A . 4 TRP N 1 1 3 363 1 1 4 TRP NE1 N 4.063 4.722 1.491 1.00 . A A . 4 TRP NE1 1 1 3 364 1 1 4 TRP O O 1.969 0.563 -1.866 1.00 . A A . 4 TRP O 1 1 3 365 1 1 5 ALA C C 1.897 -1.161 0.625 1.00 . A A . 5 ALA C 1 1 3 366 1 1 5 ALA CA C 2.855 0.023 0.703 1.00 . A A . 5 ALA CA 1 1 3 367 1 1 5 ALA CB C 3.385 0.185 2.120 1.00 . A A . 5 ALA CB 1 1 3 368 1 1 5 ALA H H 2.047 1.999 0.939 1.00 . A A . 5 ALA H 1 1 3 369 1 1 5 ALA HA H 3.694 -0.172 0.032 1.00 . A A . 5 ALA HA 1 1 3 370 1 1 5 ALA HB1 H 2.742 -0.333 2.835 1.00 . A A . 5 ALA HB1 1 1 3 371 1 1 5 ALA HB2 H 3.409 1.246 2.370 1.00 . A A . 5 ALA HB2 1 1 3 372 1 1 5 ALA HB3 H 4.395 -0.216 2.188 1.00 . A A . 5 ALA HB3 1 1 3 373 1 1 5 ALA N N 2.206 1.252 0.263 1.00 . A A . 5 ALA N 1 1 3 374 1 1 5 ALA O O 2.319 -2.317 0.660 1.00 . A A . 5 ALA O 1 1 3 375 1 1 6 VAL C C -0.325 -2.658 -0.884 1.00 . A A . 6 VAL C 1 1 3 376 1 1 6 VAL CA C -0.413 -1.906 0.439 1.00 . A A . 6 VAL CA 1 1 3 377 1 1 6 VAL CB C -1.829 -1.320 0.591 1.00 . A A . 6 VAL CB 1 1 3 378 1 1 6 VAL CG1 C -2.845 -2.427 0.818 1.00 . A A . 6 VAL CG1 1 1 3 379 1 1 6 VAL CG2 C -1.867 -0.307 1.725 1.00 . A A . 6 VAL CG2 1 1 3 380 1 1 6 VAL H H 0.319 0.112 0.498 1.00 . A A . 6 VAL H 1 1 3 381 1 1 6 VAL HA H -0.241 -2.603 1.252 1.00 . A A . 6 VAL HA 1 1 3 382 1 1 6 VAL HB H -2.086 -0.803 -0.337 1.00 . A A . 6 VAL HB 1 1 3 383 1 1 6 VAL HG11 H -2.463 -3.125 1.549 1.00 . A A . 6 VAL HG11 1 1 3 384 1 1 6 VAL HG12 H -3.029 -2.954 -0.119 1.00 . A A . 6 VAL HG12 1 1 3 385 1 1 6 VAL HG13 H -3.781 -1.999 1.179 1.00 . A A . 6 VAL HG13 1 1 3 386 1 1 6 VAL HG21 H -1.151 0.471 1.499 1.00 . A A . 6 VAL HG21 1 1 3 387 1 1 6 VAL HG22 H -1.595 -0.800 2.659 1.00 . A A . 6 VAL HG22 1 1 3 388 1 1 6 VAL HG23 H -2.864 0.124 1.811 1.00 . A A . 6 VAL HG23 1 1 3 389 1 1 6 VAL N N 0.604 -0.866 0.522 1.00 . A A . 6 VAL N 1 1 3 390 1 1 6 VAL O O -0.746 -3.810 -0.985 1.00 . A A . 6 VAL O 1 1 3 391 1 1 7 GLY C C 1.618 -3.457 -3.319 1.00 . A A . 7 GLY C 1 1 3 392 1 1 7 GLY CA C 0.361 -2.619 -3.202 1.00 . A A . 7 GLY CA 1 1 3 393 1 1 7 GLY H H 0.558 -1.044 -1.757 1.00 . A A . 7 GLY H 1 1 3 394 1 1 7 GLY HA2 H -0.506 -3.253 -3.396 1.00 . A A . 7 GLY HA2 1 1 3 395 1 1 7 GLY HA3 H 0.397 -1.833 -3.957 1.00 . A A . 7 GLY HA3 1 1 3 396 1 1 7 GLY N N 0.226 -1.998 -1.898 1.00 . A A . 7 GLY N 1 1 3 397 1 1 7 GLY O O 1.558 -4.636 -3.669 1.00 . A A . 7 GLY O 1 1 3 398 1 1 8 HIS C C 4.131 -4.629 -2.032 1.00 . A A . 8 HIS C 1 1 3 399 1 1 8 HIS CA C 4.042 -3.545 -3.101 1.00 . A A . 8 HIS CA 1 1 3 400 1 1 8 HIS CB C 5.196 -2.556 -2.940 1.00 . A A . 8 HIS CB 1 1 3 401 1 1 8 HIS CD2 C 5.277 -1.465 -5.292 1.00 . A A . 8 HIS CD2 1 1 3 402 1 1 8 HIS CE1 C 7.372 -1.898 -5.774 1.00 . A A . 8 HIS CE1 1 1 3 403 1 1 8 HIS CG C 5.808 -2.131 -4.240 1.00 . A A . 8 HIS CG 1 1 3 404 1 1 8 HIS H H 2.748 -1.866 -2.746 1.00 . A A . 8 HIS H 1 1 3 405 1 1 8 HIS HA H 4.119 -4.023 -4.078 1.00 . A A . 8 HIS HA 1 1 3 406 1 1 8 HIS HB2 H 4.819 -1.668 -2.437 1.00 . A A . 8 HIS HB2 1 1 3 407 1 1 8 HIS HB3 H 5.984 -2.998 -2.321 1.00 . A A . 8 HIS HB3 1 1 3 408 1 1 8 HIS HD1 H 7.793 -2.883 -3.987 1.00 . A A . 8 HIS HD1 1 1 3 409 1 1 8 HIS HD2 H 4.339 -0.929 -5.284 1.00 . A A . 8 HIS HD2 1 1 3 410 1 1 8 HIS HE1 H 8.319 -1.951 -6.290 1.00 . A A . 8 HIS HE1 1 1 3 411 1 1 8 HIS N N 2.763 -2.847 -3.026 1.00 . A A . 8 HIS N 1 1 3 412 1 1 8 HIS ND1 N 7.120 -2.389 -4.573 1.00 . A A . 8 HIS ND1 1 1 3 413 1 1 8 HIS NE2 N 6.270 -1.332 -6.231 1.00 . A A . 8 HIS NE2 1 1 3 414 1 1 8 HIS O O 4.201 -5.819 -2.344 1.00 . A A . 8 HIS O 1 1 3 415 1 1 9 LEU C C 3.059 -6.144 0.307 1.00 . A A . 9 LEU C 1 1 3 416 1 1 9 LEU CA C 4.214 -5.148 0.345 1.00 . A A . 9 LEU CA 1 1 3 417 1 1 9 LEU CB C 4.207 -4.390 1.674 1.00 . A A . 9 LEU CB 1 1 3 418 1 1 9 LEU CD1 C 5.099 -2.573 3.152 1.00 . A A . 9 LEU CD1 1 1 3 419 1 1 9 LEU CD2 C 6.526 -3.507 1.323 1.00 . A A . 9 LEU CD2 1 1 3 420 1 1 9 LEU CG C 5.108 -3.157 1.748 1.00 . A A . 9 LEU CG 1 1 3 421 1 1 9 LEU H H 4.078 -3.211 -0.579 1.00 . A A . 9 LEU H 1 1 3 422 1 1 9 LEU HA H 5.151 -5.698 0.265 1.00 . A A . 9 LEU HA 1 1 3 423 1 1 9 LEU HB2 H 3.187 -4.083 1.896 1.00 . A A . 9 LEU HB2 1 1 3 424 1 1 9 LEU HB3 H 4.532 -5.082 2.453 1.00 . A A . 9 LEU HB3 1 1 3 425 1 1 9 LEU HD11 H 5.375 -3.355 3.859 1.00 . A A . 9 LEU HD11 1 1 3 426 1 1 9 LEU HD12 H 4.103 -2.204 3.394 1.00 . A A . 9 LEU HD12 1 1 3 427 1 1 9 LEU HD13 H 5.819 -1.757 3.217 1.00 . A A . 9 LEU HD13 1 1 3 428 1 1 9 LEU HD21 H 6.872 -4.357 1.912 1.00 . A A . 9 LEU HD21 1 1 3 429 1 1 9 LEU HD22 H 7.180 -2.653 1.498 1.00 . A A . 9 LEU HD22 1 1 3 430 1 1 9 LEU HD23 H 6.546 -3.767 0.265 1.00 . A A . 9 LEU HD23 1 1 3 431 1 1 9 LEU HG H 4.712 -2.407 1.060 1.00 . A A . 9 LEU HG 1 1 3 432 1 1 9 LEU N N 4.131 -4.212 -0.771 1.00 . A A . 9 LEU N 1 1 3 433 1 1 9 LEU O O 3.265 -7.341 0.115 1.00 . A A . 9 LEU O 1 1 3 434 1 1 10 MET C C 0.025 -6.509 -0.914 1.00 . A A . 10 MET C 1 1 3 435 1 1 10 MET CA C 0.655 -6.482 0.475 1.00 . A A . 10 MET CA 1 1 3 436 1 1 10 MET CB C -0.365 -5.984 1.501 1.00 . A A . 10 MET CB 1 1 3 437 1 1 10 MET CE C -1.681 -4.356 3.916 1.00 . A A . 10 MET CE 1 1 3 438 1 1 10 MET CG C -0.005 -6.333 2.936 1.00 . A A . 10 MET CG 1 1 3 439 1 1 10 MET H H 1.737 -4.636 0.646 1.00 . A A . 10 MET H 1 1 3 440 1 1 10 MET HA H 0.936 -7.503 0.740 1.00 . A A . 10 MET HA 1 1 3 441 1 1 10 MET HB2 H -0.446 -4.915 1.392 1.00 . A A . 10 MET HB2 1 1 3 442 1 1 10 MET HB3 H -1.337 -6.434 1.282 1.00 . A A . 10 MET HB3 1 1 3 443 1 1 10 MET HE1 H -0.940 -3.897 3.272 1.00 . A A . 10 MET HE1 1 1 3 444 1 1 10 MET HE2 H -2.678 -4.192 3.518 1.00 . A A . 10 MET HE2 1 1 3 445 1 1 10 MET HE3 H -1.618 -3.904 4.906 1.00 . A A . 10 MET HE3 1 1 3 446 1 1 10 MET HG2 H 0.330 -7.368 2.982 1.00 . A A . 10 MET HG2 1 1 3 447 1 1 10 MET HG3 H 0.809 -5.681 3.253 1.00 . A A . 10 MET HG3 1 1 3 448 1 1 10 MET N N 1.843 -5.638 0.491 1.00 . A A . 10 MET N 1 1 3 449 1 1 10 MET O O -0.876 -7.305 -1.125 1.00 . A A . 10 MET O 1 1 3 450 1 1 10 MET SD S -1.389 -6.116 4.071 1.00 . A A . 10 MET SD 1 1 4 451 1 1 1 GLY C C -5.785 0.731 2.507 1.00 . A A . 1 GLY C 1 1 4 452 1 1 1 GLY CA C -6.190 0.869 3.962 1.00 . A A . 1 GLY CA 1 1 4 453 1 1 1 GLY H1 H -5.357 -0.424 5.314 1.00 . A A . 1 GLY H1 1 1 4 454 1 1 1 GLY H2 H -6.090 -1.174 3.976 1.00 . A A . 1 GLY H2 1 1 4 455 1 1 1 GLY H3 H -7.047 -0.508 5.213 1.00 . A A . 1 GLY H3 1 1 4 456 1 1 1 GLY HA2 H -7.198 1.282 4.010 1.00 . A A . 1 GLY HA2 1 1 4 457 1 1 1 GLY HA3 H -5.502 1.556 4.454 1.00 . A A . 1 GLY HA3 1 1 4 458 1 1 1 GLY N N -6.170 -0.399 4.666 1.00 . A A . 1 GLY N 1 1 4 459 1 1 1 GLY O O -5.598 -0.379 2.011 1.00 . A A . 1 GLY O 1 1 4 460 1 1 2 ASN C C -3.955 2.616 0.209 1.00 . A A . 2 ASN C 1 1 4 461 1 1 2 ASN CA C -5.265 1.861 0.416 1.00 . A A . 2 ASN CA 1 1 4 462 1 1 2 ASN CB C -6.368 2.492 -0.436 1.00 . A A . 2 ASN CB 1 1 4 463 1 1 2 ASN CG C -6.883 3.792 0.154 1.00 . A A . 2 ASN CG 1 1 4 464 1 1 2 ASN H H -5.816 2.751 2.293 1.00 . A A . 2 ASN H 1 1 4 465 1 1 2 ASN HA H -5.114 0.833 0.074 1.00 . A A . 2 ASN HA 1 1 4 466 1 1 2 ASN HB2 H -5.981 2.693 -1.435 1.00 . A A . 2 ASN HB2 1 1 4 467 1 1 2 ASN HB3 H -7.195 1.785 -0.516 1.00 . A A . 2 ASN HB3 1 1 4 468 1 1 2 ASN HD21 H -8.782 3.040 0.248 1.00 . A A . 2 ASN HD21 1 1 4 469 1 1 2 ASN HD22 H -8.570 4.691 0.840 1.00 . A A . 2 ASN HD22 1 1 4 470 1 1 2 ASN N N -5.648 1.861 1.823 1.00 . A A . 2 ASN N 1 1 4 471 1 1 2 ASN ND2 N -8.179 3.841 0.435 1.00 . A A . 2 ASN ND2 1 1 4 472 1 1 2 ASN O O -3.768 3.292 -0.802 1.00 . A A . 2 ASN O 1 1 4 473 1 1 2 ASN OD1 O -6.123 4.738 0.355 1.00 . A A . 2 ASN OD1 1 1 4 474 1 1 3 HIS C C -0.937 2.631 -0.072 1.00 . A A . 3 HIS C 1 1 4 475 1 1 3 HIS CA C -1.756 3.163 1.100 1.00 . A A . 3 HIS CA 1 1 4 476 1 1 3 HIS CB C -0.982 2.974 2.405 1.00 . A A . 3 HIS CB 1 1 4 477 1 1 3 HIS CD2 C -1.449 5.357 3.316 1.00 . A A . 3 HIS CD2 1 1 4 478 1 1 3 HIS CE1 C -1.692 4.848 5.434 1.00 . A A . 3 HIS CE1 1 1 4 479 1 1 3 HIS CG C -1.281 4.019 3.436 1.00 . A A . 3 HIS CG 1 1 4 480 1 1 3 HIS H H -3.263 1.916 1.989 1.00 . A A . 3 HIS H 1 1 4 481 1 1 3 HIS HA H -1.924 4.229 0.943 1.00 . A A . 3 HIS HA 1 1 4 482 1 1 3 HIS HB2 H -1.256 2.027 2.847 1.00 . A A . 3 HIS HB2 1 1 4 483 1 1 3 HIS HB3 H 0.093 2.980 2.207 1.00 . A A . 3 HIS HB3 1 1 4 484 1 1 3 HIS HD1 H -1.372 2.805 5.192 1.00 . A A . 3 HIS HD1 1 1 4 485 1 1 3 HIS HD2 H -1.182 5.945 2.451 1.00 . A A . 3 HIS HD2 1 1 4 486 1 1 3 HIS HE1 H -1.861 4.925 6.498 1.00 . A A . 3 HIS HE1 1 1 4 487 1 1 3 HIS N N -3.049 2.494 1.176 1.00 . A A . 3 HIS N 1 1 4 488 1 1 3 HIS ND1 N -1.438 3.732 4.775 1.00 . A A . 3 HIS ND1 1 1 4 489 1 1 3 HIS NE2 N -1.704 5.848 4.573 1.00 . A A . 3 HIS NE2 1 1 4 490 1 1 3 HIS O O -1.386 1.751 -0.807 1.00 . A A . 3 HIS O 1 1 4 491 1 1 4 TRP C C 1.812 1.417 -0.999 1.00 . A A . 4 TRP C 1 1 4 492 1 1 4 TRP CA C 1.146 2.750 -1.325 1.00 . A A . 4 TRP CA 1 1 4 493 1 1 4 TRP CB C 2.210 3.816 -1.587 1.00 . A A . 4 TRP CB 1 1 4 494 1 1 4 TRP CD1 C 2.981 4.810 0.646 1.00 . A A . 4 TRP CD1 1 1 4 495 1 1 4 TRP CD2 C 4.433 3.372 -0.270 1.00 . A A . 4 TRP CD2 1 1 4 496 1 1 4 TRP CE2 C 4.971 3.842 0.944 1.00 . A A . 4 TRP CE2 1 1 4 497 1 1 4 TRP CE3 C 5.169 2.453 -1.022 1.00 . A A . 4 TRP CE3 1 1 4 498 1 1 4 TRP CG C 3.159 4.003 -0.441 1.00 . A A . 4 TRP CG 1 1 4 499 1 1 4 TRP CH2 C 6.911 2.524 0.661 1.00 . A A . 4 TRP CH2 1 1 4 500 1 1 4 TRP CZ2 C 6.212 3.424 1.419 1.00 . A A . 4 TRP CZ2 1 1 4 501 1 1 4 TRP CZ3 C 6.400 2.040 -0.550 1.00 . A A . 4 TRP CZ3 1 1 4 502 1 1 4 TRP H H 0.580 3.896 0.403 1.00 . A A . 4 TRP H 1 1 4 503 1 1 4 TRP HA H 0.551 2.625 -2.230 1.00 . A A . 4 TRP HA 1 1 4 504 1 1 4 TRP HB2 H 2.781 3.534 -2.470 1.00 . A A . 4 TRP HB2 1 1 4 505 1 1 4 TRP HB3 H 1.708 4.764 -1.783 1.00 . A A . 4 TRP HB3 1 1 4 506 1 1 4 TRP HD1 H 2.114 5.430 0.821 1.00 . A A . 4 TRP HD1 1 1 4 507 1 1 4 TRP HE1 H 4.192 5.216 2.365 1.00 . A A . 4 TRP HE1 1 1 4 508 1 1 4 TRP HE3 H 4.778 2.077 -1.956 1.00 . A A . 4 TRP HE3 1 1 4 509 1 1 4 TRP HH2 H 7.876 2.182 1.005 1.00 . A A . 4 TRP HH2 1 1 4 510 1 1 4 TRP HZ2 H 6.609 3.795 2.352 1.00 . A A . 4 TRP HZ2 1 1 4 511 1 1 4 TRP HZ3 H 6.974 1.331 -1.129 1.00 . A A . 4 TRP HZ3 1 1 4 512 1 1 4 TRP N N 0.265 3.170 -0.241 1.00 . A A . 4 TRP N 1 1 4 513 1 1 4 TRP NE1 N 4.067 4.719 1.483 1.00 . A A . 4 TRP NE1 1 1 4 514 1 1 4 TRP O O 1.965 0.560 -1.869 1.00 . A A . 4 TRP O 1 1 4 515 1 1 5 ALA C C 1.895 -1.163 0.622 1.00 . A A . 5 ALA C 1 1 4 516 1 1 5 ALA CA C 2.854 0.020 0.699 1.00 . A A . 5 ALA CA 1 1 4 517 1 1 5 ALA CB C 3.384 0.182 2.116 1.00 . A A . 5 ALA CB 1 1 4 518 1 1 5 ALA H H 2.048 1.998 0.935 1.00 . A A . 5 ALA H 1 1 4 519 1 1 5 ALA HA H 3.693 -0.177 0.029 1.00 . A A . 5 ALA HA 1 1 4 520 1 1 5 ALA HB1 H 3.393 1.243 2.369 1.00 . A A . 5 ALA HB1 1 1 4 521 1 1 5 ALA HB2 H 4.400 -0.203 2.181 1.00 . A A . 5 ALA HB2 1 1 4 522 1 1 5 ALA HB3 H 2.749 -0.347 2.832 1.00 . A A . 5 ALA HB3 1 1 4 523 1 1 5 ALA N N 2.206 1.250 0.259 1.00 . A A . 5 ALA N 1 1 4 524 1 1 5 ALA O O 2.316 -2.319 0.656 1.00 . A A . 5 ALA O 1 1 4 525 1 1 6 VAL C C -0.327 -2.659 -0.887 1.00 . A A . 6 VAL C 1 1 4 526 1 1 6 VAL CA C -0.415 -1.906 0.436 1.00 . A A . 6 VAL CA 1 1 4 527 1 1 6 VAL CB C -1.831 -1.318 0.586 1.00 . A A . 6 VAL CB 1 1 4 528 1 1 6 VAL CG1 C -2.848 -2.426 0.814 1.00 . A A . 6 VAL CG1 1 1 4 529 1 1 6 VAL CG2 C -1.869 -0.306 1.721 1.00 . A A . 6 VAL CG2 1 1 4 530 1 1 6 VAL H H 0.318 0.112 0.494 1.00 . A A . 6 VAL H 1 1 4 531 1 1 6 VAL HA H -0.253 -2.612 1.249 1.00 . A A . 6 VAL HA 1 1 4 532 1 1 6 VAL HB H -2.091 -0.805 -0.342 1.00 . A A . 6 VAL HB 1 1 4 533 1 1 6 VAL HG11 H -2.601 -2.948 1.738 1.00 . A A . 6 VAL HG11 1 1 4 534 1 1 6 VAL HG12 H -2.824 -3.129 -0.019 1.00 . A A . 6 VAL HG12 1 1 4 535 1 1 6 VAL HG13 H -3.846 -1.995 0.897 1.00 . A A . 6 VAL HG13 1 1 4 536 1 1 6 VAL HG21 H -2.871 0.114 1.815 1.00 . A A . 6 VAL HG21 1 1 4 537 1 1 6 VAL HG22 H -1.162 0.478 1.486 1.00 . A A . 6 VAL HG22 1 1 4 538 1 1 6 VAL HG23 H -1.584 -0.794 2.652 1.00 . A A . 6 VAL HG23 1 1 4 539 1 1 6 VAL N N 0.603 -0.866 0.518 1.00 . A A . 6 VAL N 1 1 4 540 1 1 6 VAL O O -0.749 -3.809 -0.988 1.00 . A A . 6 VAL O 1 1 4 541 1 1 7 GLY C C 1.619 -3.455 -3.322 1.00 . A A . 7 GLY C 1 1 4 542 1 1 7 GLY CA C 0.359 -2.621 -3.205 1.00 . A A . 7 GLY CA 1 1 4 543 1 1 7 GLY H H 0.556 -1.046 -1.760 1.00 . A A . 7 GLY H 1 1 4 544 1 1 7 GLY HA2 H -0.507 -3.258 -3.397 1.00 . A A . 7 GLY HA2 1 1 4 545 1 1 7 GLY HA3 H 0.391 -1.837 -3.960 1.00 . A A . 7 GLY HA3 1 1 4 546 1 1 7 GLY N N 0.224 -1.999 -1.901 1.00 . A A . 7 GLY N 1 1 4 547 1 1 7 GLY O O 1.562 -4.631 -3.685 1.00 . A A . 7 GLY O 1 1 4 548 1 1 8 HIS C C 4.136 -4.623 -2.023 1.00 . A A . 8 HIS C 1 1 4 549 1 1 8 HIS CA C 4.041 -3.540 -3.094 1.00 . A A . 8 HIS CA 1 1 4 550 1 1 8 HIS CB C 5.194 -2.547 -2.935 1.00 . A A . 8 HIS CB 1 1 4 551 1 1 8 HIS CD2 C 5.183 -1.449 -5.284 1.00 . A A . 8 HIS CD2 1 1 4 552 1 1 8 HIS CE1 C 7.299 -1.735 -5.782 1.00 . A A . 8 HIS CE1 1 1 4 553 1 1 8 HIS CG C 5.765 -2.079 -4.237 1.00 . A A . 8 HIS CG 1 1 4 554 1 1 8 HIS H H 2.742 -1.868 -2.730 1.00 . A A . 8 HIS H 1 1 4 555 1 1 8 HIS HA H 4.120 -4.019 -4.072 1.00 . A A . 8 HIS HA 1 1 4 556 1 1 8 HIS HB2 H 4.825 -1.678 -2.393 1.00 . A A . 8 HIS HB2 1 1 4 557 1 1 8 HIS HB3 H 6.001 -3.004 -2.353 1.00 . A A . 8 HIS HB3 1 1 4 558 1 1 8 HIS HD1 H 7.800 -2.690 -4.000 1.00 . A A . 8 HIS HD1 1 1 4 559 1 1 8 HIS HD2 H 4.119 -1.348 -5.442 1.00 . A A . 8 HIS HD2 1 1 4 560 1 1 8 HIS HE1 H 8.243 -1.722 -6.305 1.00 . A A . 8 HIS HE1 1 1 4 561 1 1 8 HIS N N 2.761 -2.846 -3.019 1.00 . A A . 8 HIS N 1 1 4 562 1 1 8 HIS ND1 N 7.090 -2.245 -4.581 1.00 . A A . 8 HIS ND1 1 1 4 563 1 1 8 HIS NE2 N 6.156 -1.246 -6.230 1.00 . A A . 8 HIS NE2 1 1 4 564 1 1 8 HIS O O 4.176 -5.814 -2.332 1.00 . A A . 8 HIS O 1 1 4 565 1 1 9 LEU C C 3.115 -6.139 0.318 1.00 . A A . 9 LEU C 1 1 4 566 1 1 9 LEU CA C 4.263 -5.135 0.354 1.00 . A A . 9 LEU CA 1 1 4 567 1 1 9 LEU CB C 4.250 -4.375 1.681 1.00 . A A . 9 LEU CB 1 1 4 568 1 1 9 LEU CD1 C 5.122 -2.545 3.156 1.00 . A A . 9 LEU CD1 1 1 4 569 1 1 9 LEU CD2 C 6.577 -3.500 1.360 1.00 . A A . 9 LEU CD2 1 1 4 570 1 1 9 LEU CG C 5.152 -3.142 1.758 1.00 . A A . 9 LEU CG 1 1 4 571 1 1 9 LEU H H 4.142 -3.199 -0.576 1.00 . A A . 9 LEU H 1 1 4 572 1 1 9 LEU HA H 5.204 -5.677 0.275 1.00 . A A . 9 LEU HA 1 1 4 573 1 1 9 LEU HB2 H 3.231 -4.066 1.898 1.00 . A A . 9 LEU HB2 1 1 4 574 1 1 9 LEU HB3 H 4.570 -5.066 2.463 1.00 . A A . 9 LEU HB3 1 1 4 575 1 1 9 LEU HD11 H 4.119 -2.188 3.386 1.00 . A A . 9 LEU HD11 1 1 4 576 1 1 9 LEU HD12 H 5.831 -1.720 3.220 1.00 . A A . 9 LEU HD12 1 1 4 577 1 1 9 LEU HD13 H 5.402 -3.317 3.873 1.00 . A A . 9 LEU HD13 1 1 4 578 1 1 9 LEU HD21 H 6.615 -3.755 0.301 1.00 . A A . 9 LEU HD21 1 1 4 579 1 1 9 LEU HD22 H 6.905 -4.355 1.952 1.00 . A A . 9 LEU HD22 1 1 4 580 1 1 9 LEU HD23 H 7.234 -2.652 1.551 1.00 . A A . 9 LEU HD23 1 1 4 581 1 1 9 LEU HG H 4.769 -2.399 1.057 1.00 . A A . 9 LEU HG 1 1 4 582 1 1 9 LEU N N 4.172 -4.201 -0.764 1.00 . A A . 9 LEU N 1 1 4 583 1 1 9 LEU O O 3.332 -7.339 0.157 1.00 . A A . 9 LEU O 1 1 4 584 1 1 10 MET C C 0.061 -6.492 -0.931 1.00 . A A . 10 MET C 1 1 4 585 1 1 10 MET CA C 0.711 -6.492 0.450 1.00 . A A . 10 MET CA 1 1 4 586 1 1 10 MET CB C -0.298 -6.024 1.501 1.00 . A A . 10 MET CB 1 1 4 587 1 1 10 MET CE C 2.521 -7.180 3.893 1.00 . A A . 10 MET CE 1 1 4 588 1 1 10 MET CG C 0.302 -5.859 2.888 1.00 . A A . 10 MET CG 1 1 4 589 1 1 10 MET H H 1.778 -4.633 0.600 1.00 . A A . 10 MET H 1 1 4 590 1 1 10 MET HA H 1.001 -7.518 0.693 1.00 . A A . 10 MET HA 1 1 4 591 1 1 10 MET HB2 H -0.716 -5.071 1.180 1.00 . A A . 10 MET HB2 1 1 4 592 1 1 10 MET HB3 H -1.103 -6.759 1.563 1.00 . A A . 10 MET HB3 1 1 4 593 1 1 10 MET HE1 H 2.667 -6.326 4.555 1.00 . A A . 10 MET HE1 1 1 4 594 1 1 10 MET HE2 H 2.958 -8.069 4.345 1.00 . A A . 10 MET HE2 1 1 4 595 1 1 10 MET HE3 H 3.004 -6.985 2.936 1.00 . A A . 10 MET HE3 1 1 4 596 1 1 10 MET HG2 H 1.193 -5.238 2.799 1.00 . A A . 10 MET HG2 1 1 4 597 1 1 10 MET HG3 H -0.418 -5.351 3.533 1.00 . A A . 10 MET HG3 1 1 4 598 1 1 10 MET N N 1.893 -5.638 0.468 1.00 . A A . 10 MET N 1 1 4 599 1 1 10 MET O O 0.745 -6.156 -1.884 1.00 . A A . 10 MET O 1 1 4 600 1 1 10 MET SD S 0.766 -7.433 3.635 1.00 . A A . 10 MET SD 1 1 5 601 1 1 1 GLY C C -6.059 2.104 2.677 1.00 . A A . 1 GLY C 1 1 5 602 1 1 1 GLY CA C -6.960 2.878 3.618 1.00 . A A . 1 GLY CA 1 1 5 603 1 1 1 GLY H1 H -7.295 1.159 4.674 1.00 . A A . 1 GLY H1 1 1 5 604 1 1 1 GLY H2 H -8.649 1.740 3.829 1.00 . A A . 1 GLY H2 1 1 5 605 1 1 1 GLY H3 H -8.136 2.510 5.254 1.00 . A A . 1 GLY H3 1 1 5 606 1 1 1 GLY HA2 H -7.582 3.555 3.034 1.00 . A A . 1 GLY HA2 1 1 5 607 1 1 1 GLY HA3 H -6.341 3.464 4.298 1.00 . A A . 1 GLY HA3 1 1 5 608 1 1 1 GLY N N -7.821 2.010 4.400 1.00 . A A . 1 GLY N 1 1 5 609 1 1 1 GLY O O -5.369 1.174 3.092 1.00 . A A . 1 GLY O 1 1 5 610 1 1 2 ASN C C -3.933 2.572 0.187 1.00 . A A . 2 ASN C 1 1 5 611 1 1 2 ASN CA C -5.245 1.823 0.400 1.00 . A A . 2 ASN CA 1 1 5 612 1 1 2 ASN CB C -6.006 1.717 -0.923 1.00 . A A . 2 ASN CB 1 1 5 613 1 1 2 ASN CG C -5.325 0.788 -1.909 1.00 . A A . 2 ASN CG 1 1 5 614 1 1 2 ASN H H -6.663 3.267 1.123 1.00 . A A . 2 ASN H 1 1 5 615 1 1 2 ASN HA H -5.013 0.809 0.734 1.00 . A A . 2 ASN HA 1 1 5 616 1 1 2 ASN HB2 H -7.013 1.350 -0.725 1.00 . A A . 2 ASN HB2 1 1 5 617 1 1 2 ASN HB3 H -6.070 2.710 -1.368 1.00 . A A . 2 ASN HB3 1 1 5 618 1 1 2 ASN HD21 H -5.193 -0.682 -0.492 1.00 . A A . 2 ASN HD21 1 1 5 619 1 1 2 ASN HD22 H -4.525 -1.072 -2.080 1.00 . A A . 2 ASN HD22 1 1 5 620 1 1 2 ASN N N -6.067 2.489 1.405 1.00 . A A . 2 ASN N 1 1 5 621 1 1 2 ASN ND2 N -4.990 -0.414 -1.455 1.00 . A A . 2 ASN ND2 1 1 5 622 1 1 2 ASN O O -3.726 3.201 -0.852 1.00 . A A . 2 ASN O 1 1 5 623 1 1 2 ASN OD1 O -5.103 1.147 -3.065 1.00 . A A . 2 ASN OD1 1 1 5 624 1 1 3 HIS C C -0.936 2.632 -0.074 1.00 . A A . 3 HIS C 1 1 5 625 1 1 3 HIS CA C -1.755 3.169 1.096 1.00 . A A . 3 HIS CA 1 1 5 626 1 1 3 HIS CB C -0.980 2.986 2.402 1.00 . A A . 3 HIS CB 1 1 5 627 1 1 3 HIS CD2 C -0.891 5.307 3.556 1.00 . A A . 3 HIS CD2 1 1 5 628 1 1 3 HIS CE1 C -2.215 4.875 5.249 1.00 . A A . 3 HIS CE1 1 1 5 629 1 1 3 HIS CG C -1.297 4.021 3.436 1.00 . A A . 3 HIS CG 1 1 5 630 1 1 3 HIS H H -3.277 1.958 2.010 1.00 . A A . 3 HIS H 1 1 5 631 1 1 3 HIS HA H -1.925 4.234 0.936 1.00 . A A . 3 HIS HA 1 1 5 632 1 1 3 HIS HB2 H -1.238 2.033 2.840 1.00 . A A . 3 HIS HB2 1 1 5 633 1 1 3 HIS HB3 H 0.095 3.010 2.206 1.00 . A A . 3 HIS HB3 1 1 5 634 1 1 3 HIS HD1 H -2.594 2.898 4.713 1.00 . A A . 3 HIS HD1 1 1 5 635 1 1 3 HIS HD2 H -0.077 5.759 3.008 1.00 . A A . 3 HIS HD2 1 1 5 636 1 1 3 HIS HE1 H -2.795 4.978 6.155 1.00 . A A . 3 HIS HE1 1 1 5 637 1 1 3 HIS N N -3.048 2.499 1.177 1.00 . A A . 3 HIS N 1 1 5 638 1 1 3 HIS ND1 N -2.125 3.781 4.513 1.00 . A A . 3 HIS ND1 1 1 5 639 1 1 3 HIS NE2 N -1.475 5.815 4.690 1.00 . A A . 3 HIS NE2 1 1 5 640 1 1 3 HIS O O -1.386 1.751 -0.806 1.00 . A A . 3 HIS O 1 1 5 641 1 1 4 TRP C C 1.810 1.414 -0.998 1.00 . A A . 4 TRP C 1 1 5 642 1 1 4 TRP CA C 1.147 2.746 -1.327 1.00 . A A . 4 TRP CA 1 1 5 643 1 1 4 TRP CB C 2.213 3.810 -1.591 1.00 . A A . 4 TRP CB 1 1 5 644 1 1 4 TRP CD1 C 2.981 4.811 0.640 1.00 . A A . 4 TRP CD1 1 1 5 645 1 1 4 TRP CD2 C 4.432 3.367 -0.270 1.00 . A A . 4 TRP CD2 1 1 5 646 1 1 4 TRP CE2 C 4.969 3.841 0.943 1.00 . A A . 4 TRP CE2 1 1 5 647 1 1 4 TRP CE3 C 5.168 2.446 -1.019 1.00 . A A . 4 TRP CE3 1 1 5 648 1 1 4 TRP CG C 3.159 4.000 -0.445 1.00 . A A . 4 TRP CG 1 1 5 649 1 1 4 TRP CH2 C 6.909 2.521 0.666 1.00 . A A . 4 TRP CH2 1 1 5 650 1 1 4 TRP CZ2 C 6.209 3.424 1.420 1.00 . A A . 4 TRP CZ2 1 1 5 651 1 1 4 TRP CZ3 C 6.399 2.033 -0.544 1.00 . A A . 4 TRP CZ3 1 1 5 652 1 1 4 TRP H H 0.578 3.899 0.397 1.00 . A A . 4 TRP H 1 1 5 653 1 1 4 TRP HA H 0.552 2.620 -2.232 1.00 . A A . 4 TRP HA 1 1 5 654 1 1 4 TRP HB2 H 2.786 3.524 -2.471 1.00 . A A . 4 TRP HB2 1 1 5 655 1 1 4 TRP HB3 H 1.713 4.759 -1.791 1.00 . A A . 4 TRP HB3 1 1 5 656 1 1 4 TRP HD1 H 2.115 5.433 0.813 1.00 . A A . 4 TRP HD1 1 1 5 657 1 1 4 TRP HE1 H 4.190 5.221 2.358 1.00 . A A . 4 TRP HE1 1 1 5 658 1 1 4 TRP HE3 H 4.778 2.067 -1.952 1.00 . A A . 4 TRP HE3 1 1 5 659 1 1 4 TRP HH2 H 7.873 2.181 1.013 1.00 . A A . 4 TRP HH2 1 1 5 660 1 1 4 TRP HZ2 H 6.605 3.798 2.352 1.00 . A A . 4 TRP HZ2 1 1 5 661 1 1 4 TRP HZ3 H 6.973 1.322 -1.120 1.00 . A A . 4 TRP HZ3 1 1 5 662 1 1 4 TRP N N 0.265 3.170 -0.244 1.00 . A A . 4 TRP N 1 1 5 663 1 1 4 TRP NE1 N 4.066 4.721 1.477 1.00 . A A . 4 TRP NE1 1 1 5 664 1 1 4 TRP O O 1.962 0.555 -1.865 1.00 . A A . 4 TRP O 1 1 5 665 1 1 5 ALA C C 1.891 -1.163 0.628 1.00 . A A . 5 ALA C 1 1 5 666 1 1 5 ALA CA C 2.851 0.020 0.705 1.00 . A A . 5 ALA CA 1 1 5 667 1 1 5 ALA CB C 3.379 0.183 2.121 1.00 . A A . 5 ALA CB 1 1 5 668 1 1 5 ALA H H 2.050 1.998 0.934 1.00 . A A . 5 ALA H 1 1 5 669 1 1 5 ALA HA H 3.691 -0.178 0.036 1.00 . A A . 5 ALA HA 1 1 5 670 1 1 5 ALA HB1 H 4.363 -0.274 2.208 1.00 . A A . 5 ALA HB1 1 1 5 671 1 1 5 ALA HB2 H 2.700 -0.279 2.843 1.00 . A A . 5 ALA HB2 1 1 5 672 1 1 5 ALA HB3 H 3.463 1.247 2.344 1.00 . A A . 5 ALA HB3 1 1 5 673 1 1 5 ALA N N 2.205 1.249 0.261 1.00 . A A . 5 ALA N 1 1 5 674 1 1 5 ALA O O 2.311 -2.319 0.667 1.00 . A A . 5 ALA O 1 1 5 675 1 1 6 VAL C C -0.329 -2.660 -0.883 1.00 . A A . 6 VAL C 1 1 5 676 1 1 6 VAL CA C -0.420 -1.905 0.438 1.00 . A A . 6 VAL CA 1 1 5 677 1 1 6 VAL CB C -1.835 -1.315 0.584 1.00 . A A . 6 VAL CB 1 1 5 678 1 1 6 VAL CG1 C -2.854 -2.421 0.814 1.00 . A A . 6 VAL CG1 1 1 5 679 1 1 6 VAL CG2 C -1.874 -0.300 1.716 1.00 . A A . 6 VAL CG2 1 1 5 680 1 1 6 VAL H H 0.316 0.114 0.493 1.00 . A A . 6 VAL H 1 1 5 681 1 1 6 VAL HA H -0.261 -2.609 1.253 1.00 . A A . 6 VAL HA 1 1 5 682 1 1 6 VAL HB H -2.092 -0.803 -0.347 1.00 . A A . 6 VAL HB 1 1 5 683 1 1 6 VAL HG11 H -2.804 -3.148 0.004 1.00 . A A . 6 VAL HG11 1 1 5 684 1 1 6 VAL HG12 H -3.855 -1.991 0.855 1.00 . A A . 6 VAL HG12 1 1 5 685 1 1 6 VAL HG13 H -2.632 -2.912 1.755 1.00 . A A . 6 VAL HG13 1 1 5 686 1 1 6 VAL HG21 H -1.168 0.483 1.480 1.00 . A A . 6 VAL HG21 1 1 5 687 1 1 6 VAL HG22 H -1.589 -0.786 2.649 1.00 . A A . 6 VAL HG22 1 1 5 688 1 1 6 VAL HG23 H -2.875 0.121 1.809 1.00 . A A . 6 VAL HG23 1 1 5 689 1 1 6 VAL N N 0.600 -0.865 0.520 1.00 . A A . 6 VAL N 1 1 5 690 1 1 6 VAL O O -0.752 -3.811 -0.982 1.00 . A A . 6 VAL O 1 1 5 691 1 1 7 GLY C C 1.624 -3.457 -3.316 1.00 . A A . 7 GLY C 1 1 5 692 1 1 7 GLY CA C 0.360 -2.628 -3.200 1.00 . A A . 7 GLY CA 1 1 5 693 1 1 7 GLY H H 0.557 -1.049 -1.759 1.00 . A A . 7 GLY H 1 1 5 694 1 1 7 GLY HA2 H -0.505 -3.269 -3.391 1.00 . A A . 7 GLY HA2 1 1 5 695 1 1 7 GLY HA3 H 0.388 -1.846 -3.959 1.00 . A A . 7 GLY HA3 1 1 5 696 1 1 7 GLY N N 0.225 -2.003 -1.898 1.00 . A A . 7 GLY N 1 1 5 697 1 1 7 GLY O O 1.571 -4.636 -3.667 1.00 . A A . 7 GLY O 1 1 5 698 1 1 8 HIS C C 4.135 -4.631 -2.043 1.00 . A A . 8 HIS C 1 1 5 699 1 1 8 HIS CA C 4.047 -3.529 -3.096 1.00 . A A . 8 HIS CA 1 1 5 700 1 1 8 HIS CB C 5.195 -2.536 -2.908 1.00 . A A . 8 HIS CB 1 1 5 701 1 1 8 HIS CD2 C 5.125 -1.412 -5.244 1.00 . A A . 8 HIS CD2 1 1 5 702 1 1 8 HIS CE1 C 7.265 -1.511 -5.713 1.00 . A A . 8 HIS CE1 1 1 5 703 1 1 8 HIS CG C 5.744 -2.004 -4.196 1.00 . A A . 8 HIS CG 1 1 5 704 1 1 8 HIS H H 2.743 -1.859 -2.742 1.00 . A A . 8 HIS H 1 1 5 705 1 1 8 HIS HA H 4.137 -3.990 -4.081 1.00 . A A . 8 HIS HA 1 1 5 706 1 1 8 HIS HB2 H 4.829 -1.696 -2.322 1.00 . A A . 8 HIS HB2 1 1 5 707 1 1 8 HIS HB3 H 6.013 -3.014 -2.361 1.00 . A A . 8 HIS HB3 1 1 5 708 1 1 8 HIS HD1 H 7.821 -2.444 -3.935 1.00 . A A . 8 HIS HD1 1 1 5 709 1 1 8 HIS HD2 H 4.059 -1.406 -5.419 1.00 . A A . 8 HIS HD2 1 1 5 710 1 1 8 HIS HE1 H 8.213 -1.411 -6.220 1.00 . A A . 8 HIS HE1 1 1 5 711 1 1 8 HIS N N 2.765 -2.840 -3.022 1.00 . A A . 8 HIS N 1 1 5 712 1 1 8 HIS ND1 N 7.083 -2.052 -4.521 1.00 . A A . 8 HIS ND1 1 1 5 713 1 1 8 HIS NE2 N 6.092 -1.115 -6.173 1.00 . A A . 8 HIS NE2 1 1 5 714 1 1 8 HIS O O 4.214 -5.814 -2.374 1.00 . A A . 8 HIS O 1 1 5 715 1 1 9 LEU C C 3.079 -6.219 0.232 1.00 . A A . 9 LEU C 1 1 5 716 1 1 9 LEU CA C 4.198 -5.186 0.325 1.00 . A A . 9 LEU CA 1 1 5 717 1 1 9 LEU CB C 4.121 -4.454 1.666 1.00 . A A . 9 LEU CB 1 1 5 718 1 1 9 LEU CD1 C 4.914 -2.646 3.212 1.00 . A A . 9 LEU CD1 1 1 5 719 1 1 9 LEU CD2 C 6.435 -3.519 1.428 1.00 . A A . 9 LEU CD2 1 1 5 720 1 1 9 LEU CG C 4.992 -3.205 1.799 1.00 . A A . 9 LEU CG 1 1 5 721 1 1 9 LEU H H 4.058 -3.236 -0.570 1.00 . A A . 9 LEU H 1 1 5 722 1 1 9 LEU HA H 5.155 -5.703 0.268 1.00 . A A . 9 LEU HA 1 1 5 723 1 1 9 LEU HB2 H 3.086 -4.170 1.849 1.00 . A A . 9 LEU HB2 1 1 5 724 1 1 9 LEU HB3 H 4.426 -5.156 2.444 1.00 . A A . 9 LEU HB3 1 1 5 725 1 1 9 LEU HD11 H 3.915 -2.250 3.399 1.00 . A A . 9 LEU HD11 1 1 5 726 1 1 9 LEU HD12 H 5.651 -1.853 3.339 1.00 . A A . 9 LEU HD12 1 1 5 727 1 1 9 LEU HD13 H 5.122 -3.446 3.921 1.00 . A A . 9 LEU HD13 1 1 5 728 1 1 9 LEU HD21 H 6.504 -3.752 0.365 1.00 . A A . 9 LEU HD21 1 1 5 729 1 1 9 LEU HD22 H 6.771 -4.377 2.010 1.00 . A A . 9 LEU HD22 1 1 5 730 1 1 9 LEU HD23 H 7.067 -2.660 1.650 1.00 . A A . 9 LEU HD23 1 1 5 731 1 1 9 LEU HG H 4.615 -2.450 1.109 1.00 . A A . 9 LEU HG 1 1 5 732 1 1 9 LEU N N 4.120 -4.233 -0.776 1.00 . A A . 9 LEU N 1 1 5 733 1 1 9 LEU O O 3.333 -7.410 0.058 1.00 . A A . 9 LEU O 1 1 5 734 1 1 10 MET C C 0.022 -6.552 -1.100 1.00 . A A . 10 MET C 1 1 5 735 1 1 10 MET CA C 0.682 -6.636 0.273 1.00 . A A . 10 MET CA 1 1 5 736 1 1 10 MET CB C -0.331 -6.278 1.362 1.00 . A A . 10 MET CB 1 1 5 737 1 1 10 MET CE C -1.518 -4.680 3.899 1.00 . A A . 10 MET CE 1 1 5 738 1 1 10 MET CG C 0.160 -6.575 2.770 1.00 . A A . 10 MET CG 1 1 5 739 1 1 10 MET H H 1.694 -4.753 0.491 1.00 . A A . 10 MET H 1 1 5 740 1 1 10 MET HA H 0.999 -7.668 0.440 1.00 . A A . 10 MET HA 1 1 5 741 1 1 10 MET HB2 H -0.557 -5.217 1.281 1.00 . A A . 10 MET HB2 1 1 5 742 1 1 10 MET HB3 H -1.245 -6.847 1.191 1.00 . A A . 10 MET HB3 1 1 5 743 1 1 10 MET HE1 H -2.467 -4.545 3.388 1.00 . A A . 10 MET HE1 1 1 5 744 1 1 10 MET HE2 H -1.587 -4.265 4.904 1.00 . A A . 10 MET HE2 1 1 5 745 1 1 10 MET HE3 H -0.727 -4.167 3.352 1.00 . A A . 10 MET HE3 1 1 5 746 1 1 10 MET HG2 H 0.565 -7.586 2.794 1.00 . A A . 10 MET HG2 1 1 5 747 1 1 10 MET HG3 H 0.954 -5.868 3.014 1.00 . A A . 10 MET HG3 1 1 5 748 1 1 10 MET N N 1.840 -5.753 0.348 1.00 . A A . 10 MET N 1 1 5 749 1 1 10 MET O O 0.705 -6.175 -2.038 1.00 . A A . 10 MET O 1 1 5 750 1 1 10 MET SD S -1.145 -6.429 4.006 1.00 . A A . 10 MET SD 1 1 6 751 1 1 1 GLY C C -6.997 3.495 0.184 1.00 . A A . 1 GLY C 1 1 6 752 1 1 1 GLY CA C -8.102 4.091 -0.666 1.00 . A A . 1 GLY CA 1 1 6 753 1 1 1 GLY H1 H -6.747 5.577 -1.053 1.00 . A A . 1 GLY H1 1 1 6 754 1 1 1 GLY H2 H -8.297 6.130 -0.628 1.00 . A A . 1 GLY H2 1 1 6 755 1 1 1 GLY H3 H -8.015 5.478 -2.171 1.00 . A A . 1 GLY H3 1 1 6 756 1 1 1 GLY HA2 H -9.009 4.161 -0.066 1.00 . A A . 1 GLY HA2 1 1 6 757 1 1 1 GLY HA3 H -8.289 3.432 -1.513 1.00 . A A . 1 GLY HA3 1 1 6 758 1 1 1 GLY N N -7.767 5.413 -1.165 1.00 . A A . 1 GLY N 1 1 6 759 1 1 1 GLY O O -6.756 3.942 1.304 1.00 . A A . 1 GLY O 1 1 6 760 1 1 2 ASN C C -3.923 2.560 0.161 1.00 . A A . 2 ASN C 1 1 6 761 1 1 2 ASN CA C -5.241 1.820 0.366 1.00 . A A . 2 ASN CA 1 1 6 762 1 1 2 ASN CB C -5.102 0.369 -0.101 1.00 . A A . 2 ASN CB 1 1 6 763 1 1 2 ASN CG C -6.289 -0.484 0.303 1.00 . A A . 2 ASN CG 1 1 6 764 1 1 2 ASN H H -6.576 2.153 -1.284 1.00 . A A . 2 ASN H 1 1 6 765 1 1 2 ASN HA H -5.473 1.808 1.433 1.00 . A A . 2 ASN HA 1 1 6 766 1 1 2 ASN HB2 H -5.033 0.369 -1.189 1.00 . A A . 2 ASN HB2 1 1 6 767 1 1 2 ASN HB3 H -4.207 -0.050 0.297 1.00 . A A . 2 ASN HB3 1 1 6 768 1 1 2 ASN HD21 H -7.366 0.187 -1.301 1.00 . A A . 2 ASN HD21 1 1 6 769 1 1 2 ASN HD22 H -8.187 -0.963 -0.240 1.00 . A A . 2 ASN HD22 1 1 6 770 1 1 2 ASN N N -6.325 2.480 -0.351 1.00 . A A . 2 ASN N 1 1 6 771 1 1 2 ASN ND2 N -7.362 -0.411 -0.474 1.00 . A A . 2 ASN ND2 1 1 6 772 1 1 2 ASN O O -3.697 3.171 -0.884 1.00 . A A . 2 ASN O 1 1 6 773 1 1 2 ASN OD1 O -6.240 -1.202 1.304 1.00 . A A . 2 ASN OD1 1 1 6 774 1 1 3 HIS C C -0.936 2.629 -0.075 1.00 . A A . 3 HIS C 1 1 6 775 1 1 3 HIS CA C -1.757 3.163 1.096 1.00 . A A . 3 HIS CA 1 1 6 776 1 1 3 HIS CB C -0.989 2.968 2.403 1.00 . A A . 3 HIS CB 1 1 6 777 1 1 3 HIS CD2 C -0.911 5.355 3.412 1.00 . A A . 3 HIS CD2 1 1 6 778 1 1 3 HIS CE1 C -1.985 4.949 5.281 1.00 . A A . 3 HIS CE1 1 1 6 779 1 1 3 HIS CG C -1.243 4.043 3.414 1.00 . A A . 3 HIS CG 1 1 6 780 1 1 3 HIS H H -3.300 1.975 2.005 1.00 . A A . 3 HIS H 1 1 6 781 1 1 3 HIS HA H -1.922 4.230 0.940 1.00 . A A . 3 HIS HA 1 1 6 782 1 1 3 HIS HB2 H -1.299 2.039 2.865 1.00 . A A . 3 HIS HB2 1 1 6 783 1 1 3 HIS HB3 H 0.086 2.926 2.206 1.00 . A A . 3 HIS HB3 1 1 6 784 1 1 3 HIS HD1 H -2.296 2.924 4.902 1.00 . A A . 3 HIS HD1 1 1 6 785 1 1 3 HIS HD2 H -0.201 5.819 2.743 1.00 . A A . 3 HIS HD2 1 1 6 786 1 1 3 HIS HE1 H -2.454 5.073 6.246 1.00 . A A . 3 HIS HE1 1 1 6 787 1 1 3 HIS N N -3.054 2.499 1.165 1.00 . A A . 3 HIS N 1 1 6 788 1 1 3 HIS ND1 N -1.914 3.820 4.598 1.00 . A A . 3 HIS ND1 1 1 6 789 1 1 3 HIS NE2 N -1.383 5.896 4.584 1.00 . A A . 3 HIS NE2 1 1 6 790 1 1 3 HIS O O -1.385 1.749 -0.809 1.00 . A A . 3 HIS O 1 1 6 791 1 1 4 TRP C C 1.813 1.415 -0.997 1.00 . A A . 4 TRP C 1 1 6 792 1 1 4 TRP CA C 1.148 2.748 -1.325 1.00 . A A . 4 TRP CA 1 1 6 793 1 1 4 TRP CB C 2.214 3.813 -1.587 1.00 . A A . 4 TRP CB 1 1 6 794 1 1 4 TRP CD1 C 2.979 4.811 0.647 1.00 . A A . 4 TRP CD1 1 1 6 795 1 1 4 TRP CD2 C 4.432 3.370 -0.265 1.00 . A A . 4 TRP CD2 1 1 6 796 1 1 4 TRP CE2 C 4.969 3.843 0.949 1.00 . A A . 4 TRP CE2 1 1 6 797 1 1 4 TRP CE3 C 5.170 2.451 -1.015 1.00 . A A . 4 TRP CE3 1 1 6 798 1 1 4 TRP CG C 3.159 4.002 -0.439 1.00 . A A . 4 TRP CG 1 1 6 799 1 1 4 TRP CH2 C 6.910 2.525 0.671 1.00 . A A . 4 TRP CH2 1 1 6 800 1 1 4 TRP CZ2 C 6.209 3.426 1.427 1.00 . A A . 4 TRP CZ2 1 1 6 801 1 1 4 TRP CZ3 C 6.400 2.038 -0.540 1.00 . A A . 4 TRP CZ3 1 1 6 802 1 1 4 TRP H H 0.578 3.896 0.401 1.00 . A A . 4 TRP H 1 1 6 803 1 1 4 TRP HA H 0.555 2.621 -2.232 1.00 . A A . 4 TRP HA 1 1 6 804 1 1 4 TRP HB2 H 2.788 3.527 -2.467 1.00 . A A . 4 TRP HB2 1 1 6 805 1 1 4 TRP HB3 H 1.713 4.762 -1.788 1.00 . A A . 4 TRP HB3 1 1 6 806 1 1 4 TRP HD1 H 2.112 5.431 0.821 1.00 . A A . 4 TRP HD1 1 1 6 807 1 1 4 TRP HE1 H 4.187 5.220 2.366 1.00 . A A . 4 TRP HE1 1 1 6 808 1 1 4 TRP HE3 H 4.781 2.072 -1.950 1.00 . A A . 4 TRP HE3 1 1 6 809 1 1 4 TRP HH2 H 7.875 2.185 1.017 1.00 . A A . 4 TRP HH2 1 1 6 810 1 1 4 TRP HZ2 H 6.605 3.799 2.361 1.00 . A A . 4 TRP HZ2 1 1 6 811 1 1 4 TRP HZ3 H 6.974 1.328 -1.116 1.00 . A A . 4 TRP HZ3 1 1 6 812 1 1 4 TRP N N 0.265 3.169 -0.243 1.00 . A A . 4 TRP N 1 1 6 813 1 1 4 TRP NE1 N 4.064 4.721 1.485 1.00 . A A . 4 TRP NE1 1 1 6 814 1 1 4 TRP O O 1.967 0.558 -1.866 1.00 . A A . 4 TRP O 1 1 6 815 1 1 5 ALA C C 1.894 -1.163 0.628 1.00 . A A . 5 ALA C 1 1 6 816 1 1 5 ALA CA C 2.854 0.020 0.704 1.00 . A A . 5 ALA CA 1 1 6 817 1 1 5 ALA CB C 3.383 0.183 2.121 1.00 . A A . 5 ALA CB 1 1 6 818 1 1 5 ALA H H 2.050 1.998 0.938 1.00 . A A . 5 ALA H 1 1 6 819 1 1 5 ALA HA H 3.696 -0.181 0.038 1.00 . A A . 5 ALA HA 1 1 6 820 1 1 5 ALA HB1 H 4.419 0.528 2.096 1.00 . A A . 5 ALA HB1 1 1 6 821 1 1 5 ALA HB2 H 3.331 -0.760 2.659 1.00 . A A . 5 ALA HB2 1 1 6 822 1 1 5 ALA HB3 H 2.775 0.924 2.639 1.00 . A A . 5 ALA HB3 1 1 6 823 1 1 5 ALA N N 2.206 1.249 0.262 1.00 . A A . 5 ALA N 1 1 6 824 1 1 5 ALA O O 2.316 -2.320 0.663 1.00 . A A . 5 ALA O 1 1 6 825 1 1 6 VAL C C -0.327 -2.660 -0.881 1.00 . A A . 6 VAL C 1 1 6 826 1 1 6 VAL CA C -0.416 -1.906 0.441 1.00 . A A . 6 VAL CA 1 1 6 827 1 1 6 VAL CB C -1.831 -1.318 0.591 1.00 . A A . 6 VAL CB 1 1 6 828 1 1 6 VAL CG1 C -2.849 -2.425 0.820 1.00 . A A . 6 VAL CG1 1 1 6 829 1 1 6 VAL CG2 C -1.870 -0.305 1.725 1.00 . A A . 6 VAL CG2 1 1 6 830 1 1 6 VAL H H 0.317 0.113 0.497 1.00 . A A . 6 VAL H 1 1 6 831 1 1 6 VAL HA H -0.243 -2.603 1.256 1.00 . A A . 6 VAL HA 1 1 6 832 1 1 6 VAL HB H -2.087 -0.804 -0.340 1.00 . A A . 6 VAL HB 1 1 6 833 1 1 6 VAL HG11 H -3.053 -2.935 -0.121 1.00 . A A . 6 VAL HG11 1 1 6 834 1 1 6 VAL HG12 H -3.777 -2.024 1.218 1.00 . A A . 6 VAL HG12 1 1 6 835 1 1 6 VAL HG13 H -2.447 -3.144 1.533 1.00 . A A . 6 VAL HG13 1 1 6 836 1 1 6 VAL HG21 H -1.352 -0.723 2.590 1.00 . A A . 6 VAL HG21 1 1 6 837 1 1 6 VAL HG22 H -2.884 -0.048 2.010 1.00 . A A . 6 VAL HG22 1 1 6 838 1 1 6 VAL HG23 H -1.351 0.574 1.391 1.00 . A A . 6 VAL HG23 1 1 6 839 1 1 6 VAL N N 0.603 -0.866 0.523 1.00 . A A . 6 VAL N 1 1 6 840 1 1 6 VAL O O -0.749 -3.811 -0.981 1.00 . A A . 6 VAL O 1 1 6 841 1 1 7 GLY C C 1.620 -3.455 -3.318 1.00 . A A . 7 GLY C 1 1 6 842 1 1 7 GLY CA C 0.358 -2.623 -3.200 1.00 . A A . 7 GLY CA 1 1 6 843 1 1 7 GLY H H 0.556 -1.046 -1.756 1.00 . A A . 7 GLY H 1 1 6 844 1 1 7 GLY HA2 H -0.508 -3.261 -3.392 1.00 . A A . 7 GLY HA2 1 1 6 845 1 1 7 GLY HA3 H 0.389 -1.838 -3.956 1.00 . A A . 7 GLY HA3 1 1 6 846 1 1 7 GLY N N 0.224 -2.000 -1.896 1.00 . A A . 7 GLY N 1 1 6 847 1 1 7 GLY O O 1.565 -4.634 -3.670 1.00 . A A . 7 GLY O 1 1 6 848 1 1 8 HIS C C 4.134 -4.629 -2.041 1.00 . A A . 8 HIS C 1 1 6 849 1 1 8 HIS CA C 4.044 -3.533 -3.099 1.00 . A A . 8 HIS CA 1 1 6 850 1 1 8 HIS CB C 5.194 -2.542 -2.922 1.00 . A A . 8 HIS CB 1 1 6 851 1 1 8 HIS CD2 C 5.188 -1.433 -5.267 1.00 . A A . 8 HIS CD2 1 1 6 852 1 1 8 HIS CE1 C 7.315 -1.672 -5.739 1.00 . A A . 8 HIS CE1 1 1 6 853 1 1 8 HIS CG C 5.771 -2.056 -4.216 1.00 . A A . 8 HIS CG 1 1 6 854 1 1 8 HIS H H 2.742 -1.862 -2.741 1.00 . A A . 8 HIS H 1 1 6 855 1 1 8 HIS HA H 4.128 -4.000 -4.081 1.00 . A A . 8 HIS HA 1 1 6 856 1 1 8 HIS HB2 H 4.822 -1.680 -2.370 1.00 . A A . 8 HIS HB2 1 1 6 857 1 1 8 HIS HB3 H 5.999 -3.005 -2.343 1.00 . A A . 8 HIS HB3 1 1 6 858 1 1 8 HIS HD1 H 7.816 -2.623 -3.956 1.00 . A A . 8 HIS HD1 1 1 6 859 1 1 8 HIS HD2 H 4.125 -1.359 -5.439 1.00 . A A . 8 HIS HD2 1 1 6 860 1 1 8 HIS HE1 H 8.265 -1.635 -6.250 1.00 . A A . 8 HIS HE1 1 1 6 861 1 1 8 HIS N N 2.762 -2.841 -3.023 1.00 . A A . 8 HIS N 1 1 6 862 1 1 8 HIS ND1 N 7.103 -2.191 -4.543 1.00 . A A . 8 HIS ND1 1 1 6 863 1 1 8 HIS NE2 N 6.169 -1.205 -6.200 1.00 . A A . 8 HIS NE2 1 1 6 864 1 1 8 HIS O O 4.166 -5.818 -2.364 1.00 . A A . 8 HIS O 1 1 6 865 1 1 9 LEU C C 3.107 -6.167 0.282 1.00 . A A . 9 LEU C 1 1 6 866 1 1 9 LEU CA C 4.259 -5.169 0.329 1.00 . A A . 9 LEU CA 1 1 6 867 1 1 9 LEU CB C 4.249 -4.425 1.666 1.00 . A A . 9 LEU CB 1 1 6 868 1 1 9 LEU CD1 C 5.147 -2.632 3.168 1.00 . A A . 9 LEU CD1 1 1 6 869 1 1 9 LEU CD2 C 6.581 -3.561 1.341 1.00 . A A . 9 LEU CD2 1 1 6 870 1 1 9 LEU CG C 5.162 -3.202 1.759 1.00 . A A . 9 LEU CG 1 1 6 871 1 1 9 LEU H H 4.147 -3.222 -0.578 1.00 . A A . 9 LEU H 1 1 6 872 1 1 9 LEU HA H 5.198 -5.715 0.244 1.00 . A A . 9 LEU HA 1 1 6 873 1 1 9 LEU HB2 H 3.230 -4.107 1.879 1.00 . A A . 9 LEU HB2 1 1 6 874 1 1 9 LEU HB3 H 4.558 -5.128 2.442 1.00 . A A . 9 LEU HB3 1 1 6 875 1 1 9 LEU HD11 H 5.473 -1.592 3.149 1.00 . A A . 9 LEU HD11 1 1 6 876 1 1 9 LEU HD12 H 5.827 -3.211 3.796 1.00 . A A . 9 LEU HD12 1 1 6 877 1 1 9 LEU HD13 H 4.142 -2.689 3.588 1.00 . A A . 9 LEU HD13 1 1 6 878 1 1 9 LEU HD21 H 6.608 -3.788 0.276 1.00 . A A . 9 LEU HD21 1 1 6 879 1 1 9 LEU HD22 H 6.907 -4.433 1.908 1.00 . A A . 9 LEU HD22 1 1 6 880 1 1 9 LEU HD23 H 7.244 -2.721 1.551 1.00 . A A . 9 LEU HD23 1 1 6 881 1 1 9 LEU HG H 4.778 -2.442 1.075 1.00 . A A . 9 LEU HG 1 1 6 882 1 1 9 LEU N N 4.172 -4.222 -0.778 1.00 . A A . 9 LEU N 1 1 6 883 1 1 9 LEU O O 3.313 -7.357 0.039 1.00 . A A . 9 LEU O 1 1 6 884 1 1 10 MET C C 0.163 -6.665 -0.923 1.00 . A A . 10 MET C 1 1 6 885 1 1 10 MET CA C 0.709 -6.525 0.494 1.00 . A A . 10 MET CA 1 1 6 886 1 1 10 MET CB C -0.370 -5.952 1.415 1.00 . A A . 10 MET CB 1 1 6 887 1 1 10 MET CE C 0.931 -8.626 3.329 1.00 . A A . 10 MET CE 1 1 6 888 1 1 10 MET CG C -0.033 -6.066 2.892 1.00 . A A . 10 MET CG 1 1 6 889 1 1 10 MET H H 1.788 -4.680 0.710 1.00 . A A . 10 MET H 1 1 6 890 1 1 10 MET HA H 0.977 -7.516 0.860 1.00 . A A . 10 MET HA 1 1 6 891 1 1 10 MET HB2 H -0.527 -4.909 1.154 1.00 . A A . 10 MET HB2 1 1 6 892 1 1 10 MET HB3 H -1.299 -6.499 1.241 1.00 . A A . 10 MET HB3 1 1 6 893 1 1 10 MET HE1 H 1.099 -9.265 4.196 1.00 . A A . 10 MET HE1 1 1 6 894 1 1 10 MET HE2 H 0.791 -9.251 2.447 1.00 . A A . 10 MET HE2 1 1 6 895 1 1 10 MET HE3 H 1.798 -7.988 3.183 1.00 . A A . 10 MET HE3 1 1 6 896 1 1 10 MET HG2 H 1.037 -5.938 3.019 1.00 . A A . 10 MET HG2 1 1 6 897 1 1 10 MET HG3 H -0.540 -5.262 3.433 1.00 . A A . 10 MET HG3 1 1 6 898 1 1 10 MET N N 1.894 -5.676 0.514 1.00 . A A . 10 MET N 1 1 6 899 1 1 10 MET O O -0.995 -6.336 -1.130 1.00 . A A . 10 MET O 1 1 6 900 1 1 10 MET SD S -0.541 -7.644 3.601 1.00 . A A . 10 MET SD 1 1 7 901 1 1 1 GLY C C -7.153 2.462 3.354 1.00 . A A . 1 GLY C 1 1 7 902 1 1 1 GLY CA C -8.086 3.209 4.287 1.00 . A A . 1 GLY CA 1 1 7 903 1 1 1 GLY H1 H -7.254 4.677 5.449 1.00 . A A . 1 GLY H1 1 1 7 904 1 1 1 GLY H2 H -8.500 5.210 4.423 1.00 . A A . 1 GLY H2 1 1 7 905 1 1 1 GLY H3 H -6.967 4.847 3.787 1.00 . A A . 1 GLY H3 1 1 7 906 1 1 1 GLY HA2 H -8.110 2.694 5.248 1.00 . A A . 1 GLY HA2 1 1 7 907 1 1 1 GLY HA3 H -9.088 3.205 3.860 1.00 . A A . 1 GLY HA3 1 1 7 908 1 1 1 GLY N N -7.673 4.583 4.502 1.00 . A A . 1 GLY N 1 1 7 909 1 1 1 GLY O O -7.090 1.234 3.381 1.00 . A A . 1 GLY O 1 1 7 910 1 1 2 ASN C C -4.157 3.341 1.593 1.00 . A A . 2 ASN C 1 1 7 911 1 1 2 ASN CA C -5.493 2.606 1.580 1.00 . A A . 2 ASN CA 1 1 7 912 1 1 2 ASN CB C -6.083 2.624 0.169 1.00 . A A . 2 ASN CB 1 1 7 913 1 1 2 ASN CG C -5.169 1.972 -0.850 1.00 . A A . 2 ASN CG 1 1 7 914 1 1 2 ASN H H -6.522 4.221 2.553 1.00 . A A . 2 ASN H 1 1 7 915 1 1 2 ASN HA H -5.308 1.566 1.857 1.00 . A A . 2 ASN HA 1 1 7 916 1 1 2 ASN HB2 H -7.033 2.090 0.179 1.00 . A A . 2 ASN HB2 1 1 7 917 1 1 2 ASN HB3 H -6.262 3.660 -0.119 1.00 . A A . 2 ASN HB3 1 1 7 918 1 1 2 ASN HD21 H -5.704 3.347 -2.268 1.00 . A A . 2 ASN HD21 1 1 7 919 1 1 2 ASN HD22 H -4.530 2.127 -2.773 1.00 . A A . 2 ASN HD22 1 1 7 920 1 1 2 ASN N N -6.426 3.206 2.527 1.00 . A A . 2 ASN N 1 1 7 921 1 1 2 ASN ND2 N -5.134 2.528 -2.056 1.00 . A A . 2 ASN ND2 1 1 7 922 1 1 2 ASN O O -4.078 4.502 1.999 1.00 . A A . 2 ASN O 1 1 7 923 1 1 2 ASN OD1 O -4.501 0.980 -0.556 1.00 . A A . 2 ASN OD1 1 1 7 924 1 1 3 HIS C C -0.974 2.700 -0.075 1.00 . A A . 3 HIS C 1 1 7 925 1 1 3 HIS CA C -1.773 3.248 1.104 1.00 . A A . 3 HIS CA 1 1 7 926 1 1 3 HIS CB C -1.030 2.972 2.411 1.00 . A A . 3 HIS CB 1 1 7 927 1 1 3 HIS CD2 C -2.290 4.251 4.283 1.00 . A A . 3 HIS CD2 1 1 7 928 1 1 3 HIS CE1 C -0.778 5.783 4.698 1.00 . A A . 3 HIS CE1 1 1 7 929 1 1 3 HIS CG C -1.243 4.025 3.455 1.00 . A A . 3 HIS CG 1 1 7 930 1 1 3 HIS H H -3.235 1.700 0.822 1.00 . A A . 3 HIS H 1 1 7 931 1 1 3 HIS HA H -1.862 4.331 0.973 1.00 . A A . 3 HIS HA 1 1 7 932 1 1 3 HIS HB2 H -1.397 2.047 2.835 1.00 . A A . 3 HIS HB2 1 1 7 933 1 1 3 HIS HB3 H 0.043 2.882 2.226 1.00 . A A . 3 HIS HB3 1 1 7 934 1 1 3 HIS HD1 H 0.592 5.107 3.283 1.00 . A A . 3 HIS HD1 1 1 7 935 1 1 3 HIS HD2 H -3.271 3.809 4.187 1.00 . A A . 3 HIS HD2 1 1 7 936 1 1 3 HIS HE1 H -0.262 6.630 5.126 1.00 . A A . 3 HIS HE1 1 1 7 937 1 1 3 HIS N N -3.107 2.659 1.145 1.00 . A A . 3 HIS N 1 1 7 938 1 1 3 HIS ND1 N -0.314 5.002 3.739 1.00 . A A . 3 HIS ND1 1 1 7 939 1 1 3 HIS NE2 N -1.976 5.349 5.046 1.00 . A A . 3 HIS NE2 1 1 7 940 1 1 3 HIS O O -1.466 1.870 -0.839 1.00 . A A . 3 HIS O 1 1 7 941 1 1 4 TRP C C 1.782 1.392 -0.965 1.00 . A A . 4 TRP C 1 1 7 942 1 1 4 TRP CA C 1.127 2.728 -1.302 1.00 . A A . 4 TRP CA 1 1 7 943 1 1 4 TRP CB C 2.201 3.780 -1.586 1.00 . A A . 4 TRP CB 1 1 7 944 1 1 4 TRP CD1 C 2.971 4.818 0.628 1.00 . A A . 4 TRP CD1 1 1 7 945 1 1 4 TRP CD2 C 4.417 3.352 -0.255 1.00 . A A . 4 TRP CD2 1 1 7 946 1 1 4 TRP CE2 C 4.955 3.846 0.950 1.00 . A A . 4 TRP CE2 1 1 7 947 1 1 4 TRP CE3 C 5.150 2.414 -0.986 1.00 . A A . 4 TRP CE3 1 1 7 948 1 1 4 TRP CG C 3.147 3.987 -0.442 1.00 . A A . 4 TRP CG 1 1 7 949 1 1 4 TRP CH2 C 6.890 2.513 0.700 1.00 . A A . 4 TRP CH2 1 1 7 950 1 1 4 TRP CZ2 C 6.193 3.432 1.436 1.00 . A A . 4 TRP CZ2 1 1 7 951 1 1 4 TRP CZ3 C 6.379 2.006 -0.502 1.00 . A A . 4 TRP CZ3 1 1 7 952 1 1 4 TRP H H 0.610 3.858 0.451 1.00 . A A . 4 TRP H 1 1 7 953 1 1 4 TRP HA H 0.524 2.597 -2.203 1.00 . A A . 4 TRP HA 1 1 7 954 1 1 4 TRP HB2 H 2.774 3.473 -2.459 1.00 . A A . 4 TRP HB2 1 1 7 955 1 1 4 TRP HB3 H 1.706 4.727 -1.806 1.00 . A A . 4 TRP HB3 1 1 7 956 1 1 4 TRP HD1 H 2.108 5.447 0.789 1.00 . A A . 4 TRP HD1 1 1 7 957 1 1 4 TRP HE1 H 4.180 5.252 2.340 1.00 . A A . 4 TRP HE1 1 1 7 958 1 1 4 TRP HE3 H 4.760 2.020 -1.912 1.00 . A A . 4 TRP HE3 1 1 7 959 1 1 4 TRP HH2 H 7.853 2.176 1.054 1.00 . A A . 4 TRP HH2 1 1 7 960 1 1 4 TRP HZ2 H 6.590 3.821 2.362 1.00 . A A . 4 TRP HZ2 1 1 7 961 1 1 4 TRP HZ3 H 6.951 1.281 -1.064 1.00 . A A . 4 TRP HZ3 1 1 7 962 1 1 4 TRP N N 0.260 3.170 -0.215 1.00 . A A . 4 TRP N 1 1 7 963 1 1 4 TRP NE1 N 4.054 4.738 1.468 1.00 . A A . 4 TRP NE1 1 1 7 964 1 1 4 TRP O O 1.910 0.520 -1.824 1.00 . A A . 4 TRP O 1 1 7 965 1 1 5 ALA C C 1.872 -1.169 0.664 1.00 . A A . 5 ALA C 1 1 7 966 1 1 5 ALA CA C 2.836 0.010 0.737 1.00 . A A . 5 ALA CA 1 1 7 967 1 1 5 ALA CB C 3.362 0.176 2.155 1.00 . A A . 5 ALA CB 1 1 7 968 1 1 5 ALA H H 2.060 2.000 0.954 1.00 . A A . 5 ALA H 1 1 7 969 1 1 5 ALA HA H 3.677 -0.194 0.073 1.00 . A A . 5 ALA HA 1 1 7 970 1 1 5 ALA HB1 H 3.536 1.235 2.344 1.00 . A A . 5 ALA HB1 1 1 7 971 1 1 5 ALA HB2 H 4.299 -0.364 2.269 1.00 . A A . 5 ALA HB2 1 1 7 972 1 1 5 ALA HB3 H 2.635 -0.200 2.879 1.00 . A A . 5 ALA HB3 1 1 7 973 1 1 5 ALA N N 2.196 1.240 0.288 1.00 . A A . 5 ALA N 1 1 7 974 1 1 5 ALA O O 2.285 -2.327 0.723 1.00 . A A . 5 ALA O 1 1 7 975 1 1 6 VAL C C -0.332 -2.680 -0.854 1.00 . A A . 6 VAL C 1 1 7 976 1 1 6 VAL CA C -0.440 -1.902 0.452 1.00 . A A . 6 VAL CA 1 1 7 977 1 1 6 VAL CB C -1.855 -1.303 0.565 1.00 . A A . 6 VAL CB 1 1 7 978 1 1 6 VAL CG1 C -2.883 -2.400 0.792 1.00 . A A . 6 VAL CG1 1 1 7 979 1 1 6 VAL CG2 C -1.909 -0.272 1.682 1.00 . A A . 6 VAL CG2 1 1 7 980 1 1 6 VAL H H 0.306 0.114 0.489 1.00 . A A . 6 VAL H 1 1 7 981 1 1 6 VAL HA H -0.299 -2.576 1.287 1.00 . A A . 6 VAL HA 1 1 7 982 1 1 6 VAL HB H -2.094 -0.803 -0.377 1.00 . A A . 6 VAL HB 1 1 7 983 1 1 6 VAL HG11 H -2.637 -2.931 1.710 1.00 . A A . 6 VAL HG11 1 1 7 984 1 1 6 VAL HG12 H -2.871 -3.097 -0.047 1.00 . A A . 6 VAL HG12 1 1 7 985 1 1 6 VAL HG13 H -3.875 -1.958 0.883 1.00 . A A . 6 VAL HG13 1 1 7 986 1 1 6 VAL HG21 H -1.191 0.503 1.452 1.00 . A A . 6 VAL HG21 1 1 7 987 1 1 6 VAL HG22 H -1.649 -0.749 2.627 1.00 . A A . 6 VAL HG22 1 1 7 988 1 1 6 VAL HG23 H -2.909 0.158 1.749 1.00 . A A . 6 VAL HG23 1 1 7 989 1 1 6 VAL N N 0.583 -0.867 0.535 1.00 . A A . 6 VAL N 1 1 7 990 1 1 6 VAL O O -0.761 -3.829 -0.942 1.00 . A A . 6 VAL O 1 1 7 991 1 1 7 GLY C C 1.668 -3.519 -3.243 1.00 . A A . 7 GLY C 1 1 7 992 1 1 7 GLY CA C 0.401 -2.691 -3.159 1.00 . A A . 7 GLY CA 1 1 7 993 1 1 7 GLY H H 0.582 -1.089 -1.739 1.00 . A A . 7 GLY H 1 1 7 994 1 1 7 GLY HA2 H -0.459 -3.336 -3.351 1.00 . A A . 7 GLY HA2 1 1 7 995 1 1 7 GLY HA3 H 0.439 -1.921 -3.930 1.00 . A A . 7 GLY HA3 1 1 7 996 1 1 7 GLY N N 0.246 -2.043 -1.869 1.00 . A A . 7 GLY N 1 1 7 997 1 1 7 GLY O O 1.612 -4.740 -3.401 1.00 . A A . 7 GLY O 1 1 7 998 1 1 8 HIS C C 4.173 -4.664 -2.178 1.00 . A A . 8 HIS C 1 1 7 999 1 1 8 HIS CA C 4.102 -3.538 -3.205 1.00 . A A . 8 HIS CA 1 1 7 1000 1 1 8 HIS CB C 5.242 -2.547 -2.973 1.00 . A A . 8 HIS CB 1 1 7 1001 1 1 8 HIS CD2 C 5.225 -1.380 -5.289 1.00 . A A . 8 HIS CD2 1 1 7 1002 1 1 8 HIS CE1 C 7.375 -1.467 -5.708 1.00 . A A . 8 HIS CE1 1 1 7 1003 1 1 8 HIS CG C 5.820 -1.990 -4.238 1.00 . A A . 8 HIS CG 1 1 7 1004 1 1 8 HIS H H 2.795 -1.842 -3.013 1.00 . A A . 8 HIS H 1 1 7 1005 1 1 8 HIS HA H 4.211 -3.974 -4.199 1.00 . A A . 8 HIS HA 1 1 7 1006 1 1 8 HIS HB2 H 4.860 -1.717 -2.381 1.00 . A A . 8 HIS HB2 1 1 7 1007 1 1 8 HIS HB3 H 6.048 -3.032 -2.414 1.00 . A A . 8 HIS HB3 1 1 7 1008 1 1 8 HIS HD1 H 7.890 -2.431 -3.935 1.00 . A A . 8 HIS HD1 1 1 7 1009 1 1 8 HIS HD2 H 4.163 -1.373 -5.489 1.00 . A A . 8 HIS HD2 1 1 7 1010 1 1 8 HIS HE1 H 8.334 -1.357 -6.191 1.00 . A A . 8 HIS HE1 1 1 7 1011 1 1 8 HIS N N 2.815 -2.855 -3.139 1.00 . A A . 8 HIS N 1 1 7 1012 1 1 8 HIS ND1 N 7.166 -2.030 -4.531 1.00 . A A . 8 HIS ND1 1 1 7 1013 1 1 8 HIS NE2 N 6.213 -1.064 -6.189 1.00 . A A . 8 HIS NE2 1 1 7 1014 1 1 8 HIS O O 4.237 -5.841 -2.535 1.00 . A A . 8 HIS O 1 1 7 1015 1 1 9 LEU C C 3.164 -6.352 -0.001 1.00 . A A . 9 LEU C 1 1 7 1016 1 1 9 LEU CA C 4.228 -5.274 0.177 1.00 . A A . 9 LEU CA 1 1 7 1017 1 1 9 LEU CB C 4.050 -4.583 1.531 1.00 . A A . 9 LEU CB 1 1 7 1018 1 1 9 LEU CD1 C 4.703 -2.807 3.174 1.00 . A A . 9 LEU CD1 1 1 7 1019 1 1 9 LEU CD2 C 6.352 -3.594 1.467 1.00 . A A . 9 LEU CD2 1 1 7 1020 1 1 9 LEU CG C 4.884 -3.321 1.755 1.00 . A A . 9 LEU CG 1 1 7 1021 1 1 9 LEU H H 4.116 -3.303 -0.673 1.00 . A A . 9 LEU H 1 1 7 1022 1 1 9 LEU HA H 5.208 -5.748 0.157 1.00 . A A . 9 LEU HA 1 1 7 1023 1 1 9 LEU HB2 H 3.000 -4.329 1.654 1.00 . A A . 9 LEU HB2 1 1 7 1024 1 1 9 LEU HB3 H 4.320 -5.304 2.304 1.00 . A A . 9 LEU HB3 1 1 7 1025 1 1 9 LEU HD11 H 3.700 -2.396 3.291 1.00 . A A . 9 LEU HD11 1 1 7 1026 1 1 9 LEU HD12 H 5.441 -2.035 3.389 1.00 . A A . 9 LEU HD12 1 1 7 1027 1 1 9 LEU HD13 H 4.836 -3.633 3.872 1.00 . A A . 9 LEU HD13 1 1 7 1028 1 1 9 LEU HD21 H 6.494 -3.781 0.402 1.00 . A A . 9 LEU HD21 1 1 7 1029 1 1 9 LEU HD22 H 6.666 -4.470 2.035 1.00 . A A . 9 LEU HD22 1 1 7 1030 1 1 9 LEU HD23 H 6.953 -2.734 1.763 1.00 . A A . 9 LEU HD23 1 1 7 1031 1 1 9 LEU HG H 4.541 -2.554 1.065 1.00 . A A . 9 LEU HG 1 1 7 1032 1 1 9 LEU N N 4.164 -4.296 -0.902 1.00 . A A . 9 LEU N 1 1 7 1033 1 1 9 LEU O O 3.479 -7.533 -0.143 1.00 . A A . 9 LEU O 1 1 7 1034 1 1 10 MET C C -0.048 -6.502 -1.377 1.00 . A A . 10 MET C 1 1 7 1035 1 1 10 MET CA C 0.791 -6.867 -0.156 1.00 . A A . 10 MET CA 1 1 7 1036 1 1 10 MET CB C -0.087 -6.871 1.097 1.00 . A A . 10 MET CB 1 1 7 1037 1 1 10 MET CE C 0.342 -5.036 3.939 1.00 . A A . 10 MET CE 1 1 7 1038 1 1 10 MET CG C -0.699 -5.516 1.415 1.00 . A A . 10 MET CG 1 1 7 1039 1 1 10 MET H H 1.705 -4.942 0.130 1.00 . A A . 10 MET H 1 1 7 1040 1 1 10 MET HA H 1.177 -7.879 -0.308 1.00 . A A . 10 MET HA 1 1 7 1041 1 1 10 MET HB2 H -0.897 -7.586 0.956 1.00 . A A . 10 MET HB2 1 1 7 1042 1 1 10 MET HB3 H 0.520 -7.190 1.945 1.00 . A A . 10 MET HB3 1 1 7 1043 1 1 10 MET HE1 H 0.420 -3.967 4.136 1.00 . A A . 10 MET HE1 1 1 7 1044 1 1 10 MET HE2 H 0.401 -5.584 4.880 1.00 . A A . 10 MET HE2 1 1 7 1045 1 1 10 MET HE3 H 1.159 -5.346 3.286 1.00 . A A . 10 MET HE3 1 1 7 1046 1 1 10 MET HG2 H 0.064 -4.769 1.232 1.00 . A A . 10 MET HG2 1 1 7 1047 1 1 10 MET HG3 H -1.548 -5.333 0.757 1.00 . A A . 10 MET HG3 1 1 7 1048 1 1 10 MET N N 1.902 -5.936 0.008 1.00 . A A . 10 MET N 1 1 7 1049 1 1 10 MET O O -1.260 -6.514 -1.246 1.00 . A A . 10 MET O 1 1 7 1050 1 1 10 MET SD S -1.222 -5.379 3.135 1.00 . A A . 10 MET SD 1 1 8 1051 1 1 1 GLY C C -6.780 2.252 -0.342 1.00 . A A . 1 GLY C 1 1 8 1052 1 1 1 GLY CA C -6.940 1.593 -1.698 1.00 . A A . 1 GLY CA 1 1 8 1053 1 1 1 GLY H1 H -6.264 2.700 -3.285 1.00 . A A . 1 GLY H1 1 1 8 1054 1 1 1 GLY H2 H -7.462 3.462 -2.350 1.00 . A A . 1 GLY H2 1 1 8 1055 1 1 1 GLY H3 H -7.880 2.202 -3.413 1.00 . A A . 1 GLY H3 1 1 8 1056 1 1 1 GLY HA2 H -7.793 0.915 -1.662 1.00 . A A . 1 GLY HA2 1 1 8 1057 1 1 1 GLY HA3 H -6.041 1.017 -1.918 1.00 . A A . 1 GLY HA3 1 1 8 1058 1 1 1 GLY N N -7.151 2.557 -2.762 1.00 . A A . 1 GLY N 1 1 8 1059 1 1 1 GLY O O -7.607 3.069 0.059 1.00 . A A . 1 GLY O 1 1 8 1060 1 1 2 ASN C C -4.125 3.218 1.697 1.00 . A A . 2 ASN C 1 1 8 1061 1 1 2 ASN CA C -5.448 2.457 1.685 1.00 . A A . 2 ASN CA 1 1 8 1062 1 1 2 ASN CB C -5.419 1.347 2.736 1.00 . A A . 2 ASN CB 1 1 8 1063 1 1 2 ASN CG C -6.800 0.798 3.036 1.00 . A A . 2 ASN CG 1 1 8 1064 1 1 2 ASN H H -5.062 1.211 -0.024 1.00 . A A . 2 ASN H 1 1 8 1065 1 1 2 ASN HA H -6.242 3.155 1.960 1.00 . A A . 2 ASN HA 1 1 8 1066 1 1 2 ASN HB2 H -4.823 0.530 2.364 1.00 . A A . 2 ASN HB2 1 1 8 1067 1 1 2 ASN HB3 H -4.979 1.725 3.660 1.00 . A A . 2 ASN HB3 1 1 8 1068 1 1 2 ASN HD21 H -7.518 2.684 3.371 1.00 . A A . 2 ASN HD21 1 1 8 1069 1 1 2 ASN HD22 H -8.683 1.367 3.545 1.00 . A A . 2 ASN HD22 1 1 8 1070 1 1 2 ASN N N -5.712 1.896 0.364 1.00 . A A . 2 ASN N 1 1 8 1071 1 1 2 ASN ND2 N -7.737 1.688 3.340 1.00 . A A . 2 ASN ND2 1 1 8 1072 1 1 2 ASN O O -4.051 4.345 2.187 1.00 . A A . 2 ASN O 1 1 8 1073 1 1 2 ASN OD1 O -7.022 -0.413 2.994 1.00 . A A . 2 ASN OD1 1 1 8 1074 1 1 3 HIS C C -0.958 2.671 -0.076 1.00 . A A . 3 HIS C 1 1 8 1075 1 1 3 HIS CA C -1.765 3.215 1.099 1.00 . A A . 3 HIS CA 1 1 8 1076 1 1 3 HIS CB C -1.012 2.972 2.407 1.00 . A A . 3 HIS CB 1 1 8 1077 1 1 3 HIS CD2 C -2.163 4.148 4.412 1.00 . A A . 3 HIS CD2 1 1 8 1078 1 1 3 HIS CE1 C -0.881 5.922 4.522 1.00 . A A . 3 HIS CE1 1 1 8 1079 1 1 3 HIS CG C -1.234 4.040 3.433 1.00 . A A . 3 HIS CG 1 1 8 1080 1 1 3 HIS H H -3.213 1.668 0.752 1.00 . A A . 3 HIS H 1 1 8 1081 1 1 3 HIS HA H -1.882 4.292 0.956 1.00 . A A . 3 HIS HA 1 1 8 1082 1 1 3 HIS HB2 H -1.367 2.050 2.846 1.00 . A A . 3 HIS HB2 1 1 8 1083 1 1 3 HIS HB3 H 0.061 2.889 2.218 1.00 . A A . 3 HIS HB3 1 1 8 1084 1 1 3 HIS HD1 H 0.349 5.388 2.928 1.00 . A A . 3 HIS HD1 1 1 8 1085 1 1 3 HIS HD2 H -2.804 3.349 4.756 1.00 . A A . 3 HIS HD2 1 1 8 1086 1 1 3 HIS HE1 H -0.453 6.866 4.830 1.00 . A A . 3 HIS HE1 1 1 8 1087 1 1 3 HIS N N -3.085 2.595 1.152 1.00 . A A . 3 HIS N 1 1 8 1088 1 1 3 HIS ND1 N -0.446 5.168 3.528 1.00 . A A . 3 HIS ND1 1 1 8 1089 1 1 3 HIS NE2 N -1.922 5.326 5.074 1.00 . A A . 3 HIS NE2 1 1 8 1090 1 1 3 HIS O O -1.434 1.821 -0.828 1.00 . A A . 3 HIS O 1 1 8 1091 1 1 4 TRP C C 1.796 1.399 -0.978 1.00 . A A . 4 TRP C 1 1 8 1092 1 1 4 TRP CA C 1.137 2.733 -1.311 1.00 . A A . 4 TRP CA 1 1 8 1093 1 1 4 TRP CB C 2.210 3.790 -1.586 1.00 . A A . 4 TRP CB 1 1 8 1094 1 1 4 TRP CD1 C 2.977 4.813 0.635 1.00 . A A . 4 TRP CD1 1 1 8 1095 1 1 4 TRP CD2 C 4.425 3.355 -0.257 1.00 . A A . 4 TRP CD2 1 1 8 1096 1 1 4 TRP CE2 C 4.962 3.841 0.952 1.00 . A A . 4 TRP CE2 1 1 8 1097 1 1 4 TRP CE3 C 5.160 2.423 -0.994 1.00 . A A . 4 TRP CE3 1 1 8 1098 1 1 4 TRP CG C 3.154 3.989 -0.440 1.00 . A A . 4 TRP CG 1 1 8 1099 1 1 4 TRP CH2 C 6.898 2.513 0.693 1.00 . A A . 4 TRP CH2 1 1 8 1100 1 1 4 TRP CZ2 C 6.199 3.425 1.436 1.00 . A A . 4 TRP CZ2 1 1 8 1101 1 1 4 TRP CZ3 C 6.388 2.012 -0.513 1.00 . A A . 4 TRP CZ3 1 1 8 1102 1 1 4 TRP H H 0.600 3.874 0.428 1.00 . A A . 4 TRP H 1 1 8 1103 1 1 4 TRP HA H 0.538 2.605 -2.214 1.00 . A A . 4 TRP HA 1 1 8 1104 1 1 4 TRP HB2 H 2.784 3.491 -2.462 1.00 . A A . 4 TRP HB2 1 1 8 1105 1 1 4 TRP HB3 H 1.713 4.738 -1.798 1.00 . A A . 4 TRP HB3 1 1 8 1106 1 1 4 TRP HD1 H 2.112 5.439 0.800 1.00 . A A . 4 TRP HD1 1 1 8 1107 1 1 4 TRP HE1 H 4.185 5.237 2.351 1.00 . A A . 4 TRP HE1 1 1 8 1108 1 1 4 TRP HE3 H 4.770 2.035 -1.924 1.00 . A A . 4 TRP HE3 1 1 8 1109 1 1 4 TRP HH2 H 7.861 2.173 1.046 1.00 . A A . 4 TRP HH2 1 1 8 1110 1 1 4 TRP HZ2 H 6.595 3.809 2.364 1.00 . A A . 4 TRP HZ2 1 1 8 1111 1 1 4 TRP HZ3 H 6.960 1.292 -1.080 1.00 . A A . 4 TRP HZ3 1 1 8 1112 1 1 4 TRP N N 0.265 3.169 -0.228 1.00 . A A . 4 TRP N 1 1 8 1113 1 1 4 TRP NE1 N 4.060 4.728 1.476 1.00 . A A . 4 TRP NE1 1 1 8 1114 1 1 4 TRP O O 1.932 0.532 -1.840 1.00 . A A . 4 TRP O 1 1 8 1115 1 1 5 ALA C C 1.879 -1.168 0.649 1.00 . A A . 5 ALA C 1 1 8 1116 1 1 5 ALA CA C 2.843 0.012 0.725 1.00 . A A . 5 ALA CA 1 1 8 1117 1 1 5 ALA CB C 3.370 0.176 2.142 1.00 . A A . 5 ALA CB 1 1 8 1118 1 1 5 ALA H H 2.057 1.997 0.947 1.00 . A A . 5 ALA H 1 1 8 1119 1 1 5 ALA HA H 3.684 -0.191 0.058 1.00 . A A . 5 ALA HA 1 1 8 1120 1 1 5 ALA HB1 H 4.374 -0.217 2.217 1.00 . A A . 5 ALA HB1 1 1 8 1121 1 1 5 ALA HB2 H 2.715 -0.316 2.861 1.00 . A A . 5 ALA HB2 1 1 8 1122 1 1 5 ALA HB3 H 3.399 1.241 2.372 1.00 . A A . 5 ALA HB3 1 1 8 1123 1 1 5 ALA N N 2.201 1.241 0.278 1.00 . A A . 5 ALA N 1 1 8 1124 1 1 5 ALA O O 2.295 -2.326 0.699 1.00 . A A . 5 ALA O 1 1 8 1125 1 1 6 VAL C C -0.332 -2.672 -0.864 1.00 . A A . 6 VAL C 1 1 8 1126 1 1 6 VAL CA C -0.432 -1.903 0.449 1.00 . A A . 6 VAL CA 1 1 8 1127 1 1 6 VAL CB C -1.847 -1.308 0.576 1.00 . A A . 6 VAL CB 1 1 8 1128 1 1 6 VAL CG1 C -2.872 -2.408 0.804 1.00 . A A . 6 VAL CG1 1 1 8 1129 1 1 6 VAL CG2 C -1.894 -0.283 1.699 1.00 . A A . 6 VAL CG2 1 1 8 1130 1 1 6 VAL H H 0.312 0.112 0.492 1.00 . A A . 6 VAL H 1 1 8 1131 1 1 6 VAL HA H -0.279 -2.585 1.277 1.00 . A A . 6 VAL HA 1 1 8 1132 1 1 6 VAL HB H -2.093 -0.802 -0.359 1.00 . A A . 6 VAL HB 1 1 8 1133 1 1 6 VAL HG11 H -2.912 -3.061 -0.067 1.00 . A A . 6 VAL HG11 1 1 8 1134 1 1 6 VAL HG12 H -3.854 -1.963 0.972 1.00 . A A . 6 VAL HG12 1 1 8 1135 1 1 6 VAL HG13 H -2.582 -2.989 1.679 1.00 . A A . 6 VAL HG13 1 1 8 1136 1 1 6 VAL HG21 H -1.846 -0.799 2.658 1.00 . A A . 6 VAL HG21 1 1 8 1137 1 1 6 VAL HG22 H -2.801 0.278 1.638 1.00 . A A . 6 VAL HG22 1 1 8 1138 1 1 6 VAL HG23 H -1.051 0.385 1.603 1.00 . A A . 6 VAL HG23 1 1 8 1139 1 1 6 VAL N N 0.590 -0.868 0.531 1.00 . A A . 6 VAL N 1 1 8 1140 1 1 6 VAL O O -0.758 -3.822 -0.957 1.00 . A A . 6 VAL O 1 1 8 1141 1 1 7 GLY C C 1.647 -3.494 -3.272 1.00 . A A . 7 GLY C 1 1 8 1142 1 1 7 GLY CA C 0.382 -2.665 -3.174 1.00 . A A . 7 GLY CA 1 1 8 1143 1 1 7 GLY H H 0.570 -1.073 -1.745 1.00 . A A . 7 GLY H 1 1 8 1144 1 1 7 GLY HA2 H -0.480 -3.308 -3.366 1.00 . A A . 7 GLY HA2 1 1 8 1145 1 1 7 GLY HA3 H 0.416 -1.890 -3.939 1.00 . A A . 7 GLY HA3 1 1 8 1146 1 1 7 GLY N N 0.235 -2.027 -1.879 1.00 . A A . 7 GLY N 1 1 8 1147 1 1 7 GLY O O 1.590 -4.702 -3.507 1.00 . A A . 7 GLY O 1 1 8 1148 1 1 8 HIS C C 4.161 -4.642 -2.121 1.00 . A A . 8 HIS C 1 1 8 1149 1 1 8 HIS CA C 4.079 -3.532 -3.165 1.00 . A A . 8 HIS CA 1 1 8 1150 1 1 8 HIS CB C 5.223 -2.538 -2.959 1.00 . A A . 8 HIS CB 1 1 8 1151 1 1 8 HIS CD2 C 5.157 -1.390 -5.284 1.00 . A A . 8 HIS CD2 1 1 8 1152 1 1 8 HIS CE1 C 7.300 -1.461 -5.737 1.00 . A A . 8 HIS CE1 1 1 8 1153 1 1 8 HIS CG C 5.773 -1.987 -4.238 1.00 . A A . 8 HIS CG 1 1 8 1154 1 1 8 HIS H H 2.775 -1.843 -2.908 1.00 . A A . 8 HIS H 1 1 8 1155 1 1 8 HIS HA H 4.178 -3.984 -4.153 1.00 . A A . 8 HIS HA 1 1 8 1156 1 1 8 HIS HB2 H 4.852 -1.708 -2.362 1.00 . A A . 8 HIS HB2 1 1 8 1157 1 1 8 HIS HB3 H 6.041 -3.021 -2.415 1.00 . A A . 8 HIS HB3 1 1 8 1158 1 1 8 HIS HD1 H 7.853 -2.406 -3.966 1.00 . A A . 8 HIS HD1 1 1 8 1159 1 1 8 HIS HD2 H 4.143 -1.019 -5.283 1.00 . A A . 8 HIS HD2 1 1 8 1160 1 1 8 HIS HE1 H 8.250 -1.346 -6.237 1.00 . A A . 8 HIS HE1 1 1 8 1161 1 1 8 HIS N N 2.793 -2.846 -3.094 1.00 . A A . 8 HIS N 1 1 8 1162 1 1 8 HIS ND1 N 7.116 -2.017 -4.554 1.00 . A A . 8 HIS ND1 1 1 8 1163 1 1 8 HIS NE2 N 6.127 -1.073 -6.202 1.00 . A A . 8 HIS NE2 1 1 8 1164 1 1 8 HIS O O 4.413 -5.801 -2.452 1.00 . A A . 8 HIS O 1 1 8 1165 1 1 9 LEU C C 2.809 -6.203 0.166 1.00 . A A . 9 LEU C 1 1 8 1166 1 1 9 LEU CA C 3.995 -5.246 0.231 1.00 . A A . 9 LEU CA 1 1 8 1167 1 1 9 LEU CB C 4.008 -4.522 1.579 1.00 . A A . 9 LEU CB 1 1 8 1168 1 1 9 LEU CD1 C 4.776 -2.632 3.035 1.00 . A A . 9 LEU CD1 1 1 8 1169 1 1 9 LEU CD2 C 6.345 -3.640 1.369 1.00 . A A . 9 LEU CD2 1 1 8 1170 1 1 9 LEU CG C 4.897 -3.280 1.665 1.00 . A A . 9 LEU CG 1 1 8 1171 1 1 9 LEU H H 3.745 -3.301 -0.653 1.00 . A A . 9 LEU H 1 1 8 1172 1 1 9 LEU HA H 4.914 -5.824 0.139 1.00 . A A . 9 LEU HA 1 1 8 1173 1 1 9 LEU HB2 H 2.991 -4.229 1.830 1.00 . A A . 9 LEU HB2 1 1 8 1174 1 1 9 LEU HB3 H 4.354 -5.229 2.336 1.00 . A A . 9 LEU HB3 1 1 8 1175 1 1 9 LEU HD11 H 4.952 -3.400 3.788 1.00 . A A . 9 LEU HD11 1 1 8 1176 1 1 9 LEU HD12 H 3.782 -2.230 3.173 1.00 . A A . 9 LEU HD12 1 1 8 1177 1 1 9 LEU HD13 H 5.525 -1.850 3.147 1.00 . A A . 9 LEU HD13 1 1 8 1178 1 1 9 LEU HD21 H 6.438 -4.003 0.346 1.00 . A A . 9 LEU HD21 1 1 8 1179 1 1 9 LEU HD22 H 6.663 -4.420 2.061 1.00 . A A . 9 LEU HD22 1 1 8 1180 1 1 9 LEU HD23 H 6.975 -2.761 1.499 1.00 . A A . 9 LEU HD23 1 1 8 1181 1 1 9 LEU HG H 4.565 -2.562 0.918 1.00 . A A . 9 LEU HG 1 1 8 1182 1 1 9 LEU N N 3.946 -4.280 -0.862 1.00 . A A . 9 LEU N 1 1 8 1183 1 1 9 LEU O O 2.975 -7.397 -0.082 1.00 . A A . 9 LEU O 1 1 8 1184 1 1 10 MET C C -0.159 -6.555 -1.065 1.00 . A A . 10 MET C 1 1 8 1185 1 1 10 MET CA C 0.398 -6.476 0.352 1.00 . A A . 10 MET CA 1 1 8 1186 1 1 10 MET CB C -0.656 -5.893 1.295 1.00 . A A . 10 MET CB 1 1 8 1187 1 1 10 MET CE C 1.782 -6.493 4.287 1.00 . A A . 10 MET CE 1 1 8 1188 1 1 10 MET CG C -0.511 -6.361 2.734 1.00 . A A . 10 MET CG 1 1 8 1189 1 1 10 MET H H 1.540 -4.673 0.590 1.00 . A A . 10 MET H 1 1 8 1190 1 1 10 MET HA H 0.635 -7.490 0.670 1.00 . A A . 10 MET HA 1 1 8 1191 1 1 10 MET HB2 H -0.567 -4.819 1.280 1.00 . A A . 10 MET HB2 1 1 8 1192 1 1 10 MET HB3 H -1.655 -6.165 0.935 1.00 . A A . 10 MET HB3 1 1 8 1193 1 1 10 MET HE1 H 1.265 -7.287 4.825 1.00 . A A . 10 MET HE1 1 1 8 1194 1 1 10 MET HE2 H 2.315 -6.918 3.437 1.00 . A A . 10 MET HE2 1 1 8 1195 1 1 10 MET HE3 H 2.492 -6.005 4.955 1.00 . A A . 10 MET HE3 1 1 8 1196 1 1 10 MET HG2 H -1.493 -6.360 3.213 1.00 . A A . 10 MET HG2 1 1 8 1197 1 1 10 MET HG3 H -0.122 -7.378 2.754 1.00 . A A . 10 MET HG3 1 1 8 1198 1 1 10 MET N N 1.613 -5.670 0.389 1.00 . A A . 10 MET N 1 1 8 1199 1 1 10 MET O O 0.581 -6.240 -1.980 1.00 . A A . 10 MET O 1 1 8 1200 1 1 10 MET SD S 0.579 -5.300 3.703 1.00 . A A . 10 MET SD 1 1 9 1201 1 1 1 GLY C C -7.391 2.590 1.112 1.00 . A A . 1 GLY C 1 1 9 1202 1 1 1 GLY CA C -8.492 3.617 0.934 1.00 . A A . 1 GLY CA 1 1 9 1203 1 1 1 GLY H1 H -10.092 3.257 2.163 1.00 . A A . 1 GLY H1 1 1 9 1204 1 1 1 GLY H2 H -9.507 4.852 2.215 1.00 . A A . 1 GLY H2 1 1 9 1205 1 1 1 GLY H3 H -8.645 3.601 2.976 1.00 . A A . 1 GLY H3 1 1 9 1206 1 1 1 GLY HA2 H -9.180 3.268 0.163 1.00 . A A . 1 GLY HA2 1 1 9 1207 1 1 1 GLY HA3 H -8.046 4.557 0.611 1.00 . A A . 1 GLY HA3 1 1 9 1208 1 1 1 GLY N N -9.237 3.848 2.158 1.00 . A A . 1 GLY N 1 1 9 1209 1 1 1 GLY O O -7.491 1.703 1.958 1.00 . A A . 1 GLY O 1 1 9 1210 1 1 2 ASN C C -3.893 2.513 0.165 1.00 . A A . 2 ASN C 1 1 9 1211 1 1 2 ASN CA C -5.215 1.782 0.380 1.00 . A A . 2 ASN CA 1 1 9 1212 1 1 2 ASN CB C -5.374 0.675 -0.663 1.00 . A A . 2 ASN CB 1 1 9 1213 1 1 2 ASN CG C -5.774 1.215 -2.023 1.00 . A A . 2 ASN CG 1 1 9 1214 1 1 2 ASN H H -6.317 3.467 -0.373 1.00 . A A . 2 ASN H 1 1 9 1215 1 1 2 ASN HA H -5.188 1.326 1.373 1.00 . A A . 2 ASN HA 1 1 9 1216 1 1 2 ASN HB2 H -4.435 0.129 -0.757 1.00 . A A . 2 ASN HB2 1 1 9 1217 1 1 2 ASN HB3 H -6.149 -0.013 -0.323 1.00 . A A . 2 ASN HB3 1 1 9 1218 1 1 2 ASN HD21 H -3.943 0.734 -2.796 1.00 . A A . 2 ASN HD21 1 1 9 1219 1 1 2 ASN HD22 H -5.079 1.500 -3.910 1.00 . A A . 2 ASN HD22 1 1 9 1220 1 1 2 ASN N N -6.339 2.710 0.309 1.00 . A A . 2 ASN N 1 1 9 1221 1 1 2 ASN ND2 N -4.859 1.143 -2.981 1.00 . A A . 2 ASN ND2 1 1 9 1222 1 1 2 ASN O O -3.647 3.075 -0.903 1.00 . A A . 2 ASN O 1 1 9 1223 1 1 2 ASN OD1 O -6.895 1.690 -2.208 1.00 . A A . 2 ASN OD1 1 1 9 1224 1 1 3 HIS C C -0.929 2.622 -0.060 1.00 . A A . 3 HIS C 1 1 9 1225 1 1 3 HIS CA C -1.745 3.161 1.111 1.00 . A A . 3 HIS CA 1 1 9 1226 1 1 3 HIS CB C -0.973 2.969 2.416 1.00 . A A . 3 HIS CB 1 1 9 1227 1 1 3 HIS CD2 C -0.557 5.119 3.806 1.00 . A A . 3 HIS CD2 1 1 9 1228 1 1 3 HIS CE1 C -2.368 5.059 5.040 1.00 . A A . 3 HIS CE1 1 1 9 1229 1 1 3 HIS CG C -1.260 4.021 3.443 1.00 . A A . 3 HIS CG 1 1 9 1230 1 1 3 HIS H H -3.306 2.018 2.047 1.00 . A A . 3 HIS H 1 1 9 1231 1 1 3 HIS HA H -1.907 4.228 0.954 1.00 . A A . 3 HIS HA 1 1 9 1232 1 1 3 HIS HB2 H -1.260 2.026 2.862 1.00 . A A . 3 HIS HB2 1 1 9 1233 1 1 3 HIS HB3 H 0.103 2.958 2.219 1.00 . A A . 3 HIS HB3 1 1 9 1234 1 1 3 HIS HD1 H -3.126 3.307 4.206 1.00 . A A . 3 HIS HD1 1 1 9 1235 1 1 3 HIS HD2 H 0.471 5.320 3.539 1.00 . A A . 3 HIS HD2 1 1 9 1236 1 1 3 HIS HE1 H -3.123 5.307 5.772 1.00 . A A . 3 HIS HE1 1 1 9 1237 1 1 3 HIS N N -3.043 2.501 1.188 1.00 . A A . 3 HIS N 1 1 9 1238 1 1 3 HIS ND1 N -2.388 4.011 4.235 1.00 . A A . 3 HIS ND1 1 1 9 1239 1 1 3 HIS NE2 N -1.266 5.747 4.799 1.00 . A A . 3 HIS NE2 1 1 9 1240 1 1 3 HIS O O -1.374 1.726 -0.778 1.00 . A A . 3 HIS O 1 1 9 1241 1 1 4 TRP C C 1.804 1.414 -1.005 1.00 . A A . 4 TRP C 1 1 9 1242 1 1 4 TRP CA C 1.141 2.747 -1.333 1.00 . A A . 4 TRP CA 1 1 9 1243 1 1 4 TRP CB C 2.208 3.810 -1.600 1.00 . A A . 4 TRP CB 1 1 9 1244 1 1 4 TRP CD1 C 2.982 4.811 0.627 1.00 . A A . 4 TRP CD1 1 1 9 1245 1 1 4 TRP CD2 C 4.431 3.367 -0.285 1.00 . A A . 4 TRP CD2 1 1 9 1246 1 1 4 TRP CE2 C 4.972 3.841 0.926 1.00 . A A . 4 TRP CE2 1 1 9 1247 1 1 4 TRP CE3 C 5.165 2.444 -1.035 1.00 . A A . 4 TRP CE3 1 1 9 1248 1 1 4 TRP CG C 3.158 3.999 -0.456 1.00 . A A . 4 TRP CG 1 1 9 1249 1 1 4 TRP CH2 C 6.910 2.520 0.646 1.00 . A A . 4 TRP CH2 1 1 9 1250 1 1 4 TRP CZ2 C 6.213 3.424 1.401 1.00 . A A . 4 TRP CZ2 1 1 9 1251 1 1 4 TRP CZ3 C 6.396 2.032 -0.563 1.00 . A A . 4 TRP CZ3 1 1 9 1252 1 1 4 TRP H H 0.575 3.913 0.383 1.00 . A A . 4 TRP H 1 1 9 1253 1 1 4 TRP HA H 0.542 2.622 -2.235 1.00 . A A . 4 TRP HA 1 1 9 1254 1 1 4 TRP HB2 H 2.778 3.521 -2.482 1.00 . A A . 4 TRP HB2 1 1 9 1255 1 1 4 TRP HB3 H 1.708 4.758 -1.800 1.00 . A A . 4 TRP HB3 1 1 9 1256 1 1 4 TRP HD1 H 2.118 5.433 0.802 1.00 . A A . 4 TRP HD1 1 1 9 1257 1 1 4 TRP HE1 H 4.198 5.222 2.343 1.00 . A A . 4 TRP HE1 1 1 9 1258 1 1 4 TRP HE3 H 4.773 2.066 -1.967 1.00 . A A . 4 TRP HE3 1 1 9 1259 1 1 4 TRP HH2 H 7.875 2.180 0.990 1.00 . A A . 4 TRP HH2 1 1 9 1260 1 1 4 TRP HZ2 H 6.613 3.799 2.332 1.00 . A A . 4 TRP HZ2 1 1 9 1261 1 1 4 TRP HZ3 H 6.968 1.320 -1.139 1.00 . A A . 4 TRP HZ3 1 1 9 1262 1 1 4 TRP N N 0.265 3.173 -0.247 1.00 . A A . 4 TRP N 1 1 9 1263 1 1 4 TRP NE1 N 4.070 4.721 1.464 1.00 . A A . 4 TRP NE1 1 1 9 1264 1 1 4 TRP O O 1.951 0.554 -1.872 1.00 . A A . 4 TRP O 1 1 9 1265 1 1 5 ALA C C 1.890 -1.162 0.619 1.00 . A A . 5 ALA C 1 1 9 1266 1 1 5 ALA CA C 2.850 0.020 0.695 1.00 . A A . 5 ALA CA 1 1 9 1267 1 1 5 ALA CB C 3.380 0.182 2.111 1.00 . A A . 5 ALA CB 1 1 9 1268 1 1 5 ALA H H 2.052 2.001 0.926 1.00 . A A . 5 ALA H 1 1 9 1269 1 1 5 ALA HA H 3.689 -0.179 0.025 1.00 . A A . 5 ALA HA 1 1 9 1270 1 1 5 ALA HB1 H 3.432 1.246 2.346 1.00 . A A . 5 ALA HB1 1 1 9 1271 1 1 5 ALA HB2 H 4.378 -0.244 2.189 1.00 . A A . 5 ALA HB2 1 1 9 1272 1 1 5 ALA HB3 H 2.718 -0.306 2.831 1.00 . A A . 5 ALA HB3 1 1 9 1273 1 1 5 ALA N N 2.204 1.250 0.252 1.00 . A A . 5 ALA N 1 1 9 1274 1 1 5 ALA O O 2.309 -2.320 0.657 1.00 . A A . 5 ALA O 1 1 9 1275 1 1 6 VAL C C -0.332 -2.659 -0.892 1.00 . A A . 6 VAL C 1 1 9 1276 1 1 6 VAL CA C -0.421 -1.902 0.429 1.00 . A A . 6 VAL CA 1 1 9 1277 1 1 6 VAL CB C -1.837 -1.312 0.575 1.00 . A A . 6 VAL CB 1 1 9 1278 1 1 6 VAL CG1 C -2.856 -2.417 0.803 1.00 . A A . 6 VAL CG1 1 1 9 1279 1 1 6 VAL CG2 C -1.877 -0.297 1.706 1.00 . A A . 6 VAL CG2 1 1 9 1280 1 1 6 VAL H H 0.317 0.115 0.481 1.00 . A A . 6 VAL H 1 1 9 1281 1 1 6 VAL HA H -0.255 -2.581 1.246 1.00 . A A . 6 VAL HA 1 1 9 1282 1 1 6 VAL HB H -2.094 -0.799 -0.355 1.00 . A A . 6 VAL HB 1 1 9 1283 1 1 6 VAL HG11 H -2.640 -2.915 1.739 1.00 . A A . 6 VAL HG11 1 1 9 1284 1 1 6 VAL HG12 H -2.808 -3.139 -0.011 1.00 . A A . 6 VAL HG12 1 1 9 1285 1 1 6 VAL HG13 H -3.856 -1.987 0.845 1.00 . A A . 6 VAL HG13 1 1 9 1286 1 1 6 VAL HG21 H -1.166 0.483 1.476 1.00 . A A . 6 VAL HG21 1 1 9 1287 1 1 6 VAL HG22 H -1.600 -0.785 2.641 1.00 . A A . 6 VAL HG22 1 1 9 1288 1 1 6 VAL HG23 H -2.878 0.127 1.793 1.00 . A A . 6 VAL HG23 1 1 9 1289 1 1 6 VAL N N 0.599 -0.865 0.510 1.00 . A A . 6 VAL N 1 1 9 1290 1 1 6 VAL O O -0.755 -3.810 -0.990 1.00 . A A . 6 VAL O 1 1 9 1291 1 1 7 GLY C C 1.626 -3.455 -3.326 1.00 . A A . 7 GLY C 1 1 9 1292 1 1 7 GLY CA C 0.360 -2.629 -3.208 1.00 . A A . 7 GLY CA 1 1 9 1293 1 1 7 GLY H H 0.555 -1.049 -1.769 1.00 . A A . 7 GLY H 1 1 9 1294 1 1 7 GLY HA2 H -0.502 -3.272 -3.397 1.00 . A A . 7 GLY HA2 1 1 9 1295 1 1 7 GLY HA3 H 0.386 -1.846 -3.966 1.00 . A A . 7 GLY HA3 1 1 9 1296 1 1 7 GLY N N 0.223 -2.003 -1.907 1.00 . A A . 7 GLY N 1 1 9 1297 1 1 7 GLY O O 1.580 -4.626 -3.702 1.00 . A A . 7 GLY O 1 1 9 1298 1 1 8 HIS C C 4.137 -4.625 -2.022 1.00 . A A . 8 HIS C 1 1 9 1299 1 1 8 HIS CA C 4.047 -3.528 -3.077 1.00 . A A . 8 HIS CA 1 1 9 1300 1 1 8 HIS CB C 5.192 -2.530 -2.892 1.00 . A A . 8 HIS CB 1 1 9 1301 1 1 8 HIS CD2 C 5.031 -1.394 -5.219 1.00 . A A . 8 HIS CD2 1 1 9 1302 1 1 8 HIS CE1 C 7.170 -1.343 -5.698 1.00 . A A . 8 HIS CE1 1 1 9 1303 1 1 8 HIS CG C 5.695 -1.952 -4.179 1.00 . A A . 8 HIS CG 1 1 9 1304 1 1 8 HIS H H 2.736 -1.866 -2.706 1.00 . A A . 8 HIS H 1 1 9 1305 1 1 8 HIS HA H 4.139 -3.990 -4.062 1.00 . A A . 8 HIS HA 1 1 9 1306 1 1 8 HIS HB2 H 4.838 -1.713 -2.267 1.00 . A A . 8 HIS HB2 1 1 9 1307 1 1 8 HIS HB3 H 6.030 -3.019 -2.385 1.00 . A A . 8 HIS HB3 1 1 9 1308 1 1 8 HIS HD1 H 7.799 -2.248 -3.931 1.00 . A A . 8 HIS HD1 1 1 9 1309 1 1 8 HIS HD2 H 3.966 -1.456 -5.388 1.00 . A A . 8 HIS HD2 1 1 9 1310 1 1 8 HIS HE1 H 8.107 -1.174 -6.209 1.00 . A A . 8 HIS HE1 1 1 9 1311 1 1 8 HIS N N 2.762 -2.841 -3.005 1.00 . A A . 8 HIS N 1 1 9 1312 1 1 8 HIS ND1 N 7.033 -1.905 -4.510 1.00 . A A . 8 HIS ND1 1 1 9 1313 1 1 8 HIS NE2 N 5.971 -1.024 -6.149 1.00 . A A . 8 HIS NE2 1 1 9 1314 1 1 8 HIS O O 4.362 -5.793 -2.343 1.00 . A A . 8 HIS O 1 1 9 1315 1 1 9 LEU C C 2.836 -6.150 0.306 1.00 . A A . 9 LEU C 1 1 9 1316 1 1 9 LEU CA C 4.025 -5.194 0.342 1.00 . A A . 9 LEU CA 1 1 9 1317 1 1 9 LEU CB C 4.055 -4.453 1.680 1.00 . A A . 9 LEU CB 1 1 9 1318 1 1 9 LEU CD1 C 4.953 -2.626 3.142 1.00 . A A . 9 LEU CD1 1 1 9 1319 1 1 9 LEU CD2 C 6.371 -3.567 1.309 1.00 . A A . 9 LEU CD2 1 1 9 1320 1 1 9 LEU CG C 4.954 -3.218 1.742 1.00 . A A . 9 LEU CG 1 1 9 1321 1 1 9 LEU H H 3.784 -3.259 -0.560 1.00 . A A . 9 LEU H 1 1 9 1322 1 1 9 LEU HA H 4.943 -5.775 0.246 1.00 . A A . 9 LEU HA 1 1 9 1323 1 1 9 LEU HB2 H 3.042 -4.144 1.932 1.00 . A A . 9 LEU HB2 1 1 9 1324 1 1 9 LEU HB3 H 4.399 -5.153 2.444 1.00 . A A . 9 LEU HB3 1 1 9 1325 1 1 9 LEU HD11 H 5.704 -1.841 3.213 1.00 . A A . 9 LEU HD11 1 1 9 1326 1 1 9 LEU HD12 H 5.190 -3.415 3.856 1.00 . A A . 9 LEU HD12 1 1 9 1327 1 1 9 LEU HD13 H 3.970 -2.217 3.372 1.00 . A A . 9 LEU HD13 1 1 9 1328 1 1 9 LEU HD21 H 7.017 -2.698 1.433 1.00 . A A . 9 LEU HD21 1 1 9 1329 1 1 9 LEU HD22 H 6.376 -3.874 0.263 1.00 . A A . 9 LEU HD22 1 1 9 1330 1 1 9 LEU HD23 H 6.739 -4.384 1.929 1.00 . A A . 9 LEU HD23 1 1 9 1331 1 1 9 LEU HG H 4.562 -2.470 1.055 1.00 . A A . 9 LEU HG 1 1 9 1332 1 1 9 LEU N N 3.962 -4.243 -0.761 1.00 . A A . 9 LEU N 1 1 9 1333 1 1 9 LEU O O 2.996 -7.347 0.065 1.00 . A A . 9 LEU O 1 1 9 1334 1 1 10 MET C C -0.063 -6.645 -0.893 1.00 . A A . 10 MET C 1 1 9 1335 1 1 10 MET CA C 0.427 -6.418 0.533 1.00 . A A . 10 MET CA 1 1 9 1336 1 1 10 MET CB C -0.666 -5.738 1.358 1.00 . A A . 10 MET CB 1 1 9 1337 1 1 10 MET CE C -0.669 -3.508 4.022 1.00 . A A . 10 MET CE 1 1 9 1338 1 1 10 MET CG C -0.563 -6.016 2.850 1.00 . A A . 10 MET CG 1 1 9 1339 1 1 10 MET H H 1.576 -4.615 0.736 1.00 . A A . 10 MET H 1 1 9 1340 1 1 10 MET HA H 0.646 -7.392 0.967 1.00 . A A . 10 MET HA 1 1 9 1341 1 1 10 MET HB2 H -0.600 -4.681 1.206 1.00 . A A . 10 MET HB2 1 1 9 1342 1 1 10 MET HB3 H -1.645 -6.079 1.006 1.00 . A A . 10 MET HB3 1 1 9 1343 1 1 10 MET HE1 H -1.639 -3.752 3.607 1.00 . A A . 10 MET HE1 1 1 9 1344 1 1 10 MET HE2 H -0.767 -3.373 5.099 1.00 . A A . 10 MET HE2 1 1 9 1345 1 1 10 MET HE3 H -0.306 -2.583 3.579 1.00 . A A . 10 MET HE3 1 1 9 1346 1 1 10 MET HG2 H -1.555 -5.979 3.299 1.00 . A A . 10 MET HG2 1 1 9 1347 1 1 10 MET HG3 H -0.162 -7.017 3.007 1.00 . A A . 10 MET HG3 1 1 9 1348 1 1 10 MET N N 1.644 -5.613 0.543 1.00 . A A . 10 MET N 1 1 9 1349 1 1 10 MET O O 0.448 -5.981 -1.780 1.00 . A A . 10 MET O 1 1 9 1350 1 1 10 MET SD S 0.494 -4.832 3.705 1.00 . A A . 10 MET SD 1 1 10 1351 1 1 1 GLY C C -5.821 1.770 2.696 1.00 . A A . 1 GLY C 1 1 10 1352 1 1 1 GLY CA C -6.622 2.418 3.809 1.00 . A A . 1 GLY CA 1 1 10 1353 1 1 1 GLY H1 H -7.411 1.453 5.434 1.00 . A A . 1 GLY H1 1 1 10 1354 1 1 1 GLY H2 H -6.005 2.349 5.760 1.00 . A A . 1 GLY H2 1 1 10 1355 1 1 1 GLY H3 H -5.901 0.868 4.934 1.00 . A A . 1 GLY H3 1 1 10 1356 1 1 1 GLY HA2 H -7.675 2.422 3.529 1.00 . A A . 1 GLY HA2 1 1 10 1357 1 1 1 GLY HA3 H -6.285 3.447 3.932 1.00 . A A . 1 GLY HA3 1 1 10 1358 1 1 1 GLY N N -6.475 1.723 5.074 1.00 . A A . 1 GLY N 1 1 10 1359 1 1 1 GLY O O -5.110 0.793 2.922 1.00 . A A . 1 GLY O 1 1 10 1360 1 1 2 ASN C C -3.905 2.524 0.127 1.00 . A A . 2 ASN C 1 1 10 1361 1 1 2 ASN CA C -5.221 1.783 0.337 1.00 . A A . 2 ASN CA 1 1 10 1362 1 1 2 ASN CB C -6.086 1.889 -0.921 1.00 . A A . 2 ASN CB 1 1 10 1363 1 1 2 ASN CG C -6.516 3.315 -1.209 1.00 . A A . 2 ASN CG 1 1 10 1364 1 1 2 ASN H H -6.547 3.126 1.366 1.00 . A A . 2 ASN H 1 1 10 1365 1 1 2 ASN HA H -4.994 0.728 0.512 1.00 . A A . 2 ASN HA 1 1 10 1366 1 1 2 ASN HB2 H -5.521 1.508 -1.772 1.00 . A A . 2 ASN HB2 1 1 10 1367 1 1 2 ASN HB3 H -6.977 1.276 -0.785 1.00 . A A . 2 ASN HB3 1 1 10 1368 1 1 2 ASN HD21 H -5.609 3.257 -3.044 1.00 . A A . 2 ASN HD21 1 1 10 1369 1 1 2 ASN HD22 H -6.407 4.775 -2.618 1.00 . A A . 2 ASN HD22 1 1 10 1370 1 1 2 ASN N N -5.939 2.316 1.490 1.00 . A A . 2 ASN N 1 1 10 1371 1 1 2 ASN ND2 N -6.146 3.818 -2.381 1.00 . A A . 2 ASN ND2 1 1 10 1372 1 1 2 ASN O O -3.667 3.102 -0.935 1.00 . A A . 2 ASN O 1 1 10 1373 1 1 2 ASN OD1 O -7.172 3.955 -0.388 1.00 . A A . 2 ASN OD1 1 1 10 1374 1 1 3 HIS C C -0.928 2.626 -0.089 1.00 . A A . 3 HIS C 1 1 10 1375 1 1 3 HIS CA C -1.755 3.170 1.071 1.00 . A A . 3 HIS CA 1 1 10 1376 1 1 3 HIS CB C -0.992 2.994 2.384 1.00 . A A . 3 HIS CB 1 1 10 1377 1 1 3 HIS CD2 C -1.136 5.410 3.315 1.00 . A A . 3 HIS CD2 1 1 10 1378 1 1 3 HIS CE1 C -1.912 4.939 5.311 1.00 . A A . 3 HIS CE1 1 1 10 1379 1 1 3 HIS CG C -1.275 4.066 3.391 1.00 . A A . 3 HIS CG 1 1 10 1380 1 1 3 HIS H H -3.305 2.002 1.997 1.00 . A A . 3 HIS H 1 1 10 1381 1 1 3 HIS HA H -1.923 4.234 0.902 1.00 . A A . 3 HIS HA 1 1 10 1382 1 1 3 HIS HB2 H -1.289 2.062 2.844 1.00 . A A . 3 HIS HB2 1 1 10 1383 1 1 3 HIS HB3 H 0.085 2.971 2.194 1.00 . A A . 3 HIS HB3 1 1 10 1384 1 1 3 HIS HD1 H -1.975 2.877 5.024 1.00 . A A . 3 HIS HD1 1 1 10 1385 1 1 3 HIS HD2 H -0.988 5.972 2.406 1.00 . A A . 3 HIS HD2 1 1 10 1386 1 1 3 HIS HE1 H -2.277 5.037 6.322 1.00 . A A . 3 HIS HE1 1 1 10 1387 1 1 3 HIS N N -3.050 2.502 1.145 1.00 . A A . 3 HIS N 1 1 10 1388 1 1 3 HIS ND1 N -1.763 3.803 4.653 1.00 . A A . 3 HIS ND1 1 1 10 1389 1 1 3 HIS NE2 N -1.538 5.929 4.521 1.00 . A A . 3 HIS NE2 1 1 10 1390 1 1 3 HIS O O -1.372 1.737 -0.817 1.00 . A A . 3 HIS O 1 1 10 1391 1 1 4 TRP C C 1.821 1.403 -0.989 1.00 . A A . 4 TRP C 1 1 10 1392 1 1 4 TRP CA C 1.162 2.734 -1.330 1.00 . A A . 4 TRP CA 1 1 10 1393 1 1 4 TRP CB C 2.233 3.795 -1.591 1.00 . A A . 4 TRP CB 1 1 10 1394 1 1 4 TRP CD1 C 2.988 4.802 0.641 1.00 . A A . 4 TRP CD1 1 1 10 1395 1 1 4 TRP CD2 C 4.441 3.352 -0.252 1.00 . A A . 4 TRP CD2 1 1 10 1396 1 1 4 TRP CE2 C 4.972 3.829 0.963 1.00 . A A . 4 TRP CE2 1 1 10 1397 1 1 4 TRP CE3 C 5.181 2.425 -0.992 1.00 . A A . 4 TRP CE3 1 1 10 1398 1 1 4 TRP CG C 3.172 3.987 -0.438 1.00 . A A . 4 TRP CG 1 1 10 1399 1 1 4 TRP CH2 C 6.909 2.503 0.706 1.00 . A A . 4 TRP CH2 1 1 10 1400 1 1 4 TRP CZ2 C 6.207 3.410 1.451 1.00 . A A . 4 TRP CZ2 1 1 10 1401 1 1 4 TRP CZ3 C 6.406 2.011 -0.506 1.00 . A A . 4 TRP CZ3 1 1 10 1402 1 1 4 TRP H H 0.582 3.900 0.380 1.00 . A A . 4 TRP H 1 1 10 1403 1 1 4 TRP HA H 0.574 2.604 -2.239 1.00 . A A . 4 TRP HA 1 1 10 1404 1 1 4 TRP HB2 H 2.811 3.505 -2.468 1.00 . A A . 4 TRP HB2 1 1 10 1405 1 1 4 TRP HB3 H 1.735 4.744 -1.797 1.00 . A A . 4 TRP HB3 1 1 10 1406 1 1 4 TRP HD1 H 2.122 5.427 0.805 1.00 . A A . 4 TRP HD1 1 1 10 1407 1 1 4 TRP HE1 H 4.186 5.216 2.365 1.00 . A A . 4 TRP HE1 1 1 10 1408 1 1 4 TRP HE3 H 4.797 2.043 -1.926 1.00 . A A . 4 TRP HE3 1 1 10 1409 1 1 4 TRP HH2 H 7.870 2.161 1.060 1.00 . A A . 4 TRP HH2 1 1 10 1410 1 1 4 TRP HZ2 H 6.598 3.787 2.385 1.00 . A A . 4 TRP HZ2 1 1 10 1411 1 1 4 TRP HZ3 H 6.982 1.295 -1.074 1.00 . A A . 4 TRP HZ3 1 1 10 1412 1 1 4 TRP N N 0.273 3.166 -0.257 1.00 . A A . 4 TRP N 1 1 10 1413 1 1 4 TRP NE1 N 4.067 4.713 1.487 1.00 . A A . 4 TRP NE1 1 1 10 1414 1 1 4 TRP O O 1.978 0.538 -1.851 1.00 . A A . 4 TRP O 1 1 10 1415 1 1 5 ALA C C 1.882 -1.167 0.652 1.00 . A A . 5 ALA C 1 1 10 1416 1 1 5 ALA CA C 2.844 0.014 0.728 1.00 . A A . 5 ALA CA 1 1 10 1417 1 1 5 ALA CB C 3.364 0.184 2.148 1.00 . A A . 5 ALA CB 1 1 10 1418 1 1 5 ALA H H 2.043 1.994 0.942 1.00 . A A . 5 ALA H 1 1 10 1419 1 1 5 ALA HA H 3.689 -0.191 0.068 1.00 . A A . 5 ALA HA 1 1 10 1420 1 1 5 ALA HB1 H 4.294 -0.368 2.273 1.00 . A A . 5 ALA HB1 1 1 10 1421 1 1 5 ALA HB2 H 2.628 -0.176 2.871 1.00 . A A . 5 ALA HB2 1 1 10 1422 1 1 5 ALA HB3 H 3.552 1.242 2.328 1.00 . A A . 5 ALA HB3 1 1 10 1423 1 1 5 ALA N N 2.204 1.242 0.273 1.00 . A A . 5 ALA N 1 1 10 1424 1 1 5 ALA O O 2.298 -2.324 0.697 1.00 . A A . 5 ALA O 1 1 10 1425 1 1 6 VAL C C -0.340 -2.661 -0.862 1.00 . A A . 6 VAL C 1 1 10 1426 1 1 6 VAL CA C -0.430 -1.903 0.458 1.00 . A A . 6 VAL CA 1 1 10 1427 1 1 6 VAL CB C -1.844 -1.309 0.600 1.00 . A A . 6 VAL CB 1 1 10 1428 1 1 6 VAL CG1 C -2.866 -2.413 0.831 1.00 . A A . 6 VAL CG1 1 1 10 1429 1 1 6 VAL CG2 C -1.883 -0.291 1.730 1.00 . A A . 6 VAL CG2 1 1 10 1430 1 1 6 VAL H H 0.311 0.113 0.508 1.00 . A A . 6 VAL H 1 1 10 1431 1 1 6 VAL HA H -0.274 -2.606 1.275 1.00 . A A . 6 VAL HA 1 1 10 1432 1 1 6 VAL HB H -2.099 -0.799 -0.332 1.00 . A A . 6 VAL HB 1 1 10 1433 1 1 6 VAL HG11 H -2.624 -2.932 1.758 1.00 . A A . 6 VAL HG11 1 1 10 1434 1 1 6 VAL HG12 H -2.842 -3.120 0.000 1.00 . A A . 6 VAL HG12 1 1 10 1435 1 1 6 VAL HG13 H -3.863 -1.979 0.909 1.00 . A A . 6 VAL HG13 1 1 10 1436 1 1 6 VAL HG21 H -1.629 -0.782 2.670 1.00 . A A . 6 VAL HG21 1 1 10 1437 1 1 6 VAL HG22 H -2.877 0.151 1.801 1.00 . A A . 6 VAL HG22 1 1 10 1438 1 1 6 VAL HG23 H -1.156 0.477 1.511 1.00 . A A . 6 VAL HG23 1 1 10 1439 1 1 6 VAL N N 0.592 -0.866 0.540 1.00 . A A . 6 VAL N 1 1 10 1440 1 1 6 VAL O O -0.766 -3.810 -0.960 1.00 . A A . 6 VAL O 1 1 10 1441 1 1 7 GLY C C 1.626 -3.457 -3.294 1.00 . A A . 7 GLY C 1 1 10 1442 1 1 7 GLY CA C 0.357 -2.636 -3.177 1.00 . A A . 7 GLY CA 1 1 10 1443 1 1 7 GLY H H 0.556 -1.055 -1.737 1.00 . A A . 7 GLY H 1 1 10 1444 1 1 7 GLY HA2 H -0.502 -3.284 -3.365 1.00 . A A . 7 GLY HA2 1 1 10 1445 1 1 7 GLY HA3 H 0.379 -1.855 -3.938 1.00 . A A . 7 GLY HA3 1 1 10 1446 1 1 7 GLY N N 0.219 -2.008 -1.876 1.00 . A A . 7 GLY N 1 1 10 1447 1 1 7 GLY O O 1.578 -4.647 -3.606 1.00 . A A . 7 GLY O 1 1 10 1448 1 1 8 HIS C C 4.140 -4.624 -2.100 1.00 . A A . 8 HIS C 1 1 10 1449 1 1 8 HIS CA C 4.054 -3.498 -3.125 1.00 . A A . 8 HIS CA 1 1 10 1450 1 1 8 HIS CB C 5.194 -2.503 -2.904 1.00 . A A . 8 HIS CB 1 1 10 1451 1 1 8 HIS CD2 C 4.996 -1.330 -5.208 1.00 . A A . 8 HIS CD2 1 1 10 1452 1 1 8 HIS CE1 C 7.135 -1.098 -5.634 1.00 . A A . 8 HIS CE1 1 1 10 1453 1 1 8 HIS CG C 5.679 -1.856 -4.165 1.00 . A A . 8 HIS CG 1 1 10 1454 1 1 8 HIS H H 2.740 -1.830 -2.797 1.00 . A A . 8 HIS H 1 1 10 1455 1 1 8 HIS HA H 4.157 -3.932 -4.121 1.00 . A A . 8 HIS HA 1 1 10 1456 1 1 8 HIS HB2 H 4.842 -1.721 -2.233 1.00 . A A . 8 HIS HB2 1 1 10 1457 1 1 8 HIS HB3 H 6.041 -3.012 -2.433 1.00 . A A . 8 HIS HB3 1 1 10 1458 1 1 8 HIS HD1 H 7.793 -1.996 -3.873 1.00 . A A . 8 HIS HD1 1 1 10 1459 1 1 8 HIS HD2 H 3.944 -1.476 -5.405 1.00 . A A . 8 HIS HD2 1 1 10 1460 1 1 8 HIS HE1 H 8.065 -0.843 -6.119 1.00 . A A . 8 HIS HE1 1 1 10 1461 1 1 8 HIS N N 2.766 -2.819 -3.046 1.00 . A A . 8 HIS N 1 1 10 1462 1 1 8 HIS ND1 N 7.016 -1.698 -4.463 1.00 . A A . 8 HIS ND1 1 1 10 1463 1 1 8 HIS NE2 N 5.924 -0.866 -6.108 1.00 . A A . 8 HIS NE2 1 1 10 1464 1 1 8 HIS O O 4.288 -5.794 -2.457 1.00 . A A . 8 HIS O 1 1 10 1465 1 1 9 LEU C C 2.950 -6.228 0.171 1.00 . A A . 9 LEU C 1 1 10 1466 1 1 9 LEU CA C 4.114 -5.244 0.254 1.00 . A A . 9 LEU CA 1 1 10 1467 1 1 9 LEU CB C 4.104 -4.540 1.612 1.00 . A A . 9 LEU CB 1 1 10 1468 1 1 9 LEU CD1 C 4.968 -2.759 3.151 1.00 . A A . 9 LEU CD1 1 1 10 1469 1 1 9 LEU CD2 C 6.395 -3.582 1.269 1.00 . A A . 9 LEU CD2 1 1 10 1470 1 1 9 LEU CG C 4.974 -3.287 1.724 1.00 . A A . 9 LEU CG 1 1 10 1471 1 1 9 LEU H H 3.928 -3.278 -0.595 1.00 . A A . 9 LEU H 1 1 10 1472 1 1 9 LEU HA H 5.047 -5.798 0.159 1.00 . A A . 9 LEU HA 1 1 10 1473 1 1 9 LEU HB2 H 3.077 -4.255 1.846 1.00 . A A . 9 LEU HB2 1 1 10 1474 1 1 9 LEU HB3 H 4.442 -5.253 2.365 1.00 . A A . 9 LEU HB3 1 1 10 1475 1 1 9 LEU HD11 H 3.975 -2.391 3.405 1.00 . A A . 9 LEU HD11 1 1 10 1476 1 1 9 LEU HD12 H 5.695 -1.953 3.249 1.00 . A A . 9 LEU HD12 1 1 10 1477 1 1 9 LEU HD13 H 5.236 -3.569 3.828 1.00 . A A . 9 LEU HD13 1 1 10 1478 1 1 9 LEU HD21 H 7.022 -2.706 1.435 1.00 . A A . 9 LEU HD21 1 1 10 1479 1 1 9 LEU HD22 H 6.401 -3.838 0.209 1.00 . A A . 9 LEU HD22 1 1 10 1480 1 1 9 LEU HD23 H 6.783 -4.421 1.848 1.00 . A A . 9 LEU HD23 1 1 10 1481 1 1 9 LEU HG H 4.561 -2.519 1.073 1.00 . A A . 9 LEU HG 1 1 10 1482 1 1 9 LEU N N 4.046 -4.265 -0.824 1.00 . A A . 9 LEU N 1 1 10 1483 1 1 9 LEU O O 3.148 -7.422 -0.049 1.00 . A A . 9 LEU O 1 1 10 1484 1 1 10 MET C C -0.073 -6.521 -1.110 1.00 . A A . 10 MET C 1 1 10 1485 1 1 10 MET CA C 0.540 -6.548 0.286 1.00 . A A . 10 MET CA 1 1 10 1486 1 1 10 MET CB C -0.488 -6.076 1.317 1.00 . A A . 10 MET CB 1 1 10 1487 1 1 10 MET CE C -0.028 -4.598 4.487 1.00 . A A . 10 MET CE 1 1 10 1488 1 1 10 MET CG C -0.296 -6.692 2.692 1.00 . A A . 10 MET CG 1 1 10 1489 1 1 10 MET H H 1.637 -4.717 0.524 1.00 . A A . 10 MET H 1 1 10 1490 1 1 10 MET HA H 0.810 -7.581 0.510 1.00 . A A . 10 MET HA 1 1 10 1491 1 1 10 MET HB2 H -0.397 -4.995 1.415 1.00 . A A . 10 MET HB2 1 1 10 1492 1 1 10 MET HB3 H -1.497 -6.311 0.961 1.00 . A A . 10 MET HB3 1 1 10 1493 1 1 10 MET HE1 H -0.592 -5.063 5.295 1.00 . A A . 10 MET HE1 1 1 10 1494 1 1 10 MET HE2 H 0.618 -3.821 4.895 1.00 . A A . 10 MET HE2 1 1 10 1495 1 1 10 MET HE3 H -0.719 -4.156 3.769 1.00 . A A . 10 MET HE3 1 1 10 1496 1 1 10 MET HG2 H -1.236 -6.631 3.242 1.00 . A A . 10 MET HG2 1 1 10 1497 1 1 10 MET HG3 H -0.025 -7.741 2.587 1.00 . A A . 10 MET HG3 1 1 10 1498 1 1 10 MET N N 1.736 -5.716 0.346 1.00 . A A . 10 MET N 1 1 10 1499 1 1 10 MET O O -0.989 -7.289 -1.354 1.00 . A A . 10 MET O 1 1 10 1500 1 1 10 MET SD S 0.963 -5.843 3.665 1.00 . A A . 10 MET SD 1 1 11 1501 1 1 1 GLY C C -6.436 1.596 2.678 1.00 . A A . 1 GLY C 1 1 11 1502 1 1 1 GLY CA C -7.114 2.239 3.871 1.00 . A A . 1 GLY CA 1 1 11 1503 1 1 1 GLY H1 H -8.712 2.463 2.612 1.00 . A A . 1 GLY H1 1 1 11 1504 1 1 1 GLY H2 H -8.290 3.867 3.471 1.00 . A A . 1 GLY H2 1 1 11 1505 1 1 1 GLY H3 H -9.095 2.594 4.257 1.00 . A A . 1 GLY H3 1 1 11 1506 1 1 1 GLY HA2 H -6.461 3.016 4.269 1.00 . A A . 1 GLY HA2 1 1 11 1507 1 1 1 GLY HA3 H -7.272 1.481 4.638 1.00 . A A . 1 GLY HA3 1 1 11 1508 1 1 1 GLY N N -8.394 2.833 3.529 1.00 . A A . 1 GLY N 1 1 11 1509 1 1 1 GLY O O -6.362 0.372 2.584 1.00 . A A . 1 GLY O 1 1 11 1510 1 1 2 ASN C C -3.955 2.670 0.336 1.00 . A A . 2 ASN C 1 1 11 1511 1 1 2 ASN CA C -5.268 1.928 0.569 1.00 . A A . 2 ASN CA 1 1 11 1512 1 1 2 ASN CB C -6.176 2.079 -0.654 1.00 . A A . 2 ASN CB 1 1 11 1513 1 1 2 ASN CG C -7.416 1.213 -0.563 1.00 . A A . 2 ASN CG 1 1 11 1514 1 1 2 ASN H H -6.035 3.430 1.899 1.00 . A A . 2 ASN H 1 1 11 1515 1 1 2 ASN HA H -5.035 0.869 0.689 1.00 . A A . 2 ASN HA 1 1 11 1516 1 1 2 ASN HB2 H -6.486 3.121 -0.731 1.00 . A A . 2 ASN HB2 1 1 11 1517 1 1 2 ASN HB3 H -5.617 1.807 -1.550 1.00 . A A . 2 ASN HB3 1 1 11 1518 1 1 2 ASN HD21 H -6.383 -0.239 0.446 1.00 . A A . 2 ASN HD21 1 1 11 1519 1 1 2 ASN HD22 H -8.090 -0.566 0.147 1.00 . A A . 2 ASN HD22 1 1 11 1520 1 1 2 ASN N N -5.941 2.423 1.763 1.00 . A A . 2 ASN N 1 1 11 1521 1 1 2 ASN ND2 N -7.280 0.048 0.060 1.00 . A A . 2 ASN ND2 1 1 11 1522 1 1 2 ASN O O -3.790 3.361 -0.670 1.00 . A A . 2 ASN O 1 1 11 1523 1 1 2 ASN OD1 O -8.485 1.586 -1.046 1.00 . A A . 2 ASN OD1 1 1 11 1524 1 1 3 HIS C C -0.941 2.644 -0.023 1.00 . A A . 3 HIS C 1 1 11 1525 1 1 3 HIS CA C -1.726 3.178 1.171 1.00 . A A . 3 HIS CA 1 1 11 1526 1 1 3 HIS CB C -0.925 2.973 2.456 1.00 . A A . 3 HIS CB 1 1 11 1527 1 1 3 HIS CD2 C -0.545 5.194 3.740 1.00 . A A . 3 HIS CD2 1 1 11 1528 1 1 3 HIS CE1 C -2.161 4.998 5.207 1.00 . A A . 3 HIS CE1 1 1 11 1529 1 1 3 HIS CG C -1.176 4.023 3.494 1.00 . A A . 3 HIS CG 1 1 11 1530 1 1 3 HIS H H -3.221 1.934 2.083 1.00 . A A . 3 HIS H 1 1 11 1531 1 1 3 HIS HA H -1.888 4.246 1.025 1.00 . A A . 3 HIS HA 1 1 11 1532 1 1 3 HIS HB2 H -1.208 2.027 2.901 1.00 . A A . 3 HIS HB2 1 1 11 1533 1 1 3 HIS HB3 H 0.145 2.955 2.233 1.00 . A A . 3 HIS HB3 1 1 11 1534 1 1 3 HIS HD1 H -2.843 3.155 4.515 1.00 . A A . 3 HIS HD1 1 1 11 1535 1 1 3 HIS HD2 H 0.413 5.484 3.335 1.00 . A A . 3 HIS HD2 1 1 11 1536 1 1 3 HIS HE1 H -2.836 5.194 6.028 1.00 . A A . 3 HIS HE1 1 1 11 1537 1 1 3 HIS N N -3.025 2.523 1.274 1.00 . A A . 3 HIS N 1 1 11 1538 1 1 3 HIS ND1 N -2.183 3.929 4.431 1.00 . A A . 3 HIS ND1 1 1 11 1539 1 1 3 HIS NE2 N -1.176 5.781 4.809 1.00 . A A . 3 HIS NE2 1 1 11 1540 1 1 3 HIS O O -1.413 1.767 -0.746 1.00 . A A . 3 HIS O 1 1 11 1541 1 1 4 TRP C C 1.773 1.417 -1.026 1.00 . A A . 4 TRP C 1 1 11 1542 1 1 4 TRP CA C 1.109 2.755 -1.331 1.00 . A A . 4 TRP CA 1 1 11 1543 1 1 4 TRP CB C 2.175 3.814 -1.615 1.00 . A A . 4 TRP CB 1 1 11 1544 1 1 4 TRP CD1 C 2.984 4.813 0.602 1.00 . A A . 4 TRP CD1 1 1 11 1545 1 1 4 TRP CD2 C 4.417 3.369 -0.336 1.00 . A A . 4 TRP CD2 1 1 11 1546 1 1 4 TRP CE2 C 4.978 3.842 0.867 1.00 . A A . 4 TRP CE2 1 1 11 1547 1 1 4 TRP CE3 C 5.139 2.447 -1.099 1.00 . A A . 4 TRP CE3 1 1 11 1548 1 1 4 TRP CG C 3.142 4.003 -0.487 1.00 . A A . 4 TRP CG 1 1 11 1549 1 1 4 TRP CH2 C 6.910 2.520 0.554 1.00 . A A . 4 TRP CH2 1 1 11 1550 1 1 4 TRP CZ2 C 6.226 3.424 1.321 1.00 . A A . 4 TRP CZ2 1 1 11 1551 1 1 4 TRP CZ3 C 6.378 2.033 -0.647 1.00 . A A . 4 TRP CZ3 1 1 11 1552 1 1 4 TRP H H 0.592 3.904 0.413 1.00 . A A . 4 TRP H 1 1 11 1553 1 1 4 TRP HA H 0.490 2.638 -2.222 1.00 . A A . 4 TRP HA 1 1 11 1554 1 1 4 TRP HB2 H 2.731 3.524 -2.505 1.00 . A A . 4 TRP HB2 1 1 11 1555 1 1 4 TRP HB3 H 1.674 4.764 -1.808 1.00 . A A . 4 TRP HB3 1 1 11 1556 1 1 4 TRP HD1 H 2.121 5.435 0.792 1.00 . A A . 4 TRP HD1 1 1 11 1557 1 1 4 TRP HE1 H 4.226 5.222 2.297 1.00 . A A . 4 TRP HE1 1 1 11 1558 1 1 4 TRP HE3 H 4.732 2.069 -2.024 1.00 . A A . 4 TRP HE3 1 1 11 1559 1 1 4 TRP HH2 H 7.881 2.178 0.883 1.00 . A A . 4 TRP HH2 1 1 11 1560 1 1 4 TRP HZ2 H 6.639 3.798 2.247 1.00 . A A . 4 TRP HZ2 1 1 11 1561 1 1 4 TRP HZ3 H 6.940 1.320 -1.233 1.00 . A A . 4 TRP HZ3 1 1 11 1562 1 1 4 TRP N N 0.258 3.179 -0.223 1.00 . A A . 4 TRP N 1 1 11 1563 1 1 4 TRP NE1 N 4.085 4.722 1.419 1.00 . A A . 4 TRP NE1 1 1 11 1564 1 1 4 TRP O O 1.890 0.559 -1.901 1.00 . A A . 4 TRP O 1 1 11 1565 1 1 5 ALA C C 1.894 -1.170 0.561 1.00 . A A . 5 ALA C 1 1 11 1566 1 1 5 ALA CA C 2.857 0.010 0.638 1.00 . A A . 5 ALA CA 1 1 11 1567 1 1 5 ALA CB C 3.406 0.156 2.049 1.00 . A A . 5 ALA CB 1 1 11 1568 1 1 5 ALA H H 2.078 1.995 0.900 1.00 . A A . 5 ALA H 1 1 11 1569 1 1 5 ALA HA H 3.687 -0.183 -0.046 1.00 . A A . 5 ALA HA 1 1 11 1570 1 1 5 ALA HB1 H 4.483 0.019 2.047 1.00 . A A . 5 ALA HB1 1 1 11 1571 1 1 5 ALA HB2 H 2.945 -0.568 2.723 1.00 . A A . 5 ALA HB2 1 1 11 1572 1 1 5 ALA HB3 H 3.182 1.160 2.410 1.00 . A A . 5 ALA HB3 1 1 11 1573 1 1 5 ALA N N 2.206 1.246 0.219 1.00 . A A . 5 ALA N 1 1 11 1574 1 1 5 ALA O O 2.312 -2.327 0.592 1.00 . A A . 5 ALA O 1 1 11 1575 1 1 6 VAL C C -0.330 -2.663 -0.941 1.00 . A A . 6 VAL C 1 1 11 1576 1 1 6 VAL CA C -0.419 -1.906 0.380 1.00 . A A . 6 VAL CA 1 1 11 1577 1 1 6 VAL CB C -1.832 -1.313 0.525 1.00 . A A . 6 VAL CB 1 1 11 1578 1 1 6 VAL CG1 C -2.854 -2.417 0.750 1.00 . A A . 6 VAL CG1 1 1 11 1579 1 1 6 VAL CG2 C -1.871 -0.300 1.659 1.00 . A A . 6 VAL CG2 1 1 11 1580 1 1 6 VAL H H 0.321 0.111 0.438 1.00 . A A . 6 VAL H 1 1 11 1581 1 1 6 VAL HA H -0.246 -2.581 1.180 1.00 . A A . 6 VAL HA 1 1 11 1582 1 1 6 VAL HB H -2.075 -0.790 -0.406 1.00 . A A . 6 VAL HB 1 1 11 1583 1 1 6 VAL HG11 H -2.510 -3.361 0.351 1.00 . A A . 6 VAL HG11 1 1 11 1584 1 1 6 VAL HG12 H -3.782 -2.147 0.241 1.00 . A A . 6 VAL HG12 1 1 11 1585 1 1 6 VAL HG13 H -3.071 -2.529 1.807 1.00 . A A . 6 VAL HG13 1 1 11 1586 1 1 6 VAL HG21 H -2.870 0.128 1.739 1.00 . A A . 6 VAL HG21 1 1 11 1587 1 1 6 VAL HG22 H -1.158 0.479 1.433 1.00 . A A . 6 VAL HG22 1 1 11 1588 1 1 6 VAL HG23 H -1.602 -0.778 2.596 1.00 . A A . 6 VAL HG23 1 1 11 1589 1 1 6 VAL N N 0.603 -0.869 0.461 1.00 . A A . 6 VAL N 1 1 11 1590 1 1 6 VAL O O -0.756 -3.813 -1.039 1.00 . A A . 6 VAL O 1 1 11 1591 1 1 7 GLY C C 1.628 -3.461 -3.375 1.00 . A A . 7 GLY C 1 1 11 1592 1 1 7 GLY CA C 0.362 -2.635 -3.257 1.00 . A A . 7 GLY CA 1 1 11 1593 1 1 7 GLY H H 0.563 -1.056 -1.816 1.00 . A A . 7 GLY H 1 1 11 1594 1 1 7 GLY HA2 H -0.500 -3.278 -3.446 1.00 . A A . 7 GLY HA2 1 1 11 1595 1 1 7 GLY HA3 H 0.386 -1.853 -4.016 1.00 . A A . 7 GLY HA3 1 1 11 1596 1 1 7 GLY N N 0.227 -2.009 -1.955 1.00 . A A . 7 GLY N 1 1 11 1597 1 1 7 GLY O O 1.594 -4.602 -3.836 1.00 . A A . 7 GLY O 1 1 11 1598 1 1 8 HIS C C 4.174 -4.565 -1.871 1.00 . A A . 8 HIS C 1 1 11 1599 1 1 8 HIS CA C 4.034 -3.572 -3.020 1.00 . A A . 8 HIS CA 1 1 11 1600 1 1 8 HIS CB C 5.182 -2.563 -2.981 1.00 . A A . 8 HIS CB 1 1 11 1601 1 1 8 HIS CD2 C 4.851 -1.490 -5.319 1.00 . A A . 8 HIS CD2 1 1 11 1602 1 1 8 HIS CE1 C 6.927 -1.596 -6.017 1.00 . A A . 8 HIS CE1 1 1 11 1603 1 1 8 HIS CG C 5.583 -2.058 -4.333 1.00 . A A . 8 HIS CG 1 1 11 1604 1 1 8 HIS H H 2.715 -1.931 -2.592 1.00 . A A . 8 HIS H 1 1 11 1605 1 1 8 HIS HA H 4.091 -4.126 -3.959 1.00 . A A . 8 HIS HA 1 1 11 1606 1 1 8 HIS HB2 H 4.872 -1.713 -2.377 1.00 . A A . 8 HIS HB2 1 1 11 1607 1 1 8 HIS HB3 H 6.059 -3.022 -2.514 1.00 . A A . 8 HIS HB3 1 1 11 1608 1 1 8 HIS HD1 H 7.678 -2.487 -4.291 1.00 . A A . 8 HIS HD1 1 1 11 1609 1 1 8 HIS HD2 H 3.847 -1.106 -5.212 1.00 . A A . 8 HIS HD2 1 1 11 1610 1 1 8 HIS HE1 H 7.813 -1.505 -6.628 1.00 . A A . 8 HIS HE1 1 1 11 1611 1 1 8 HIS N N 2.751 -2.882 -2.959 1.00 . A A . 8 HIS N 1 1 11 1612 1 1 8 HIS ND1 N 6.879 -2.111 -4.801 1.00 . A A . 8 HIS ND1 1 1 11 1613 1 1 8 HIS NE2 N 5.709 -1.211 -6.354 1.00 . A A . 8 HIS NE2 1 1 11 1614 1 1 8 HIS O O 4.178 -5.779 -2.082 1.00 . A A . 8 HIS O 1 1 11 1615 1 1 9 LEU C C 3.229 -5.810 0.684 1.00 . A A . 9 LEU C 1 1 11 1616 1 1 9 LEU CA C 4.430 -4.882 0.529 1.00 . A A . 9 LEU CA 1 1 11 1617 1 1 9 LEU CB C 4.582 -4.014 1.780 1.00 . A A . 9 LEU CB 1 1 11 1618 1 1 9 LEU CD1 C 5.670 -2.114 2.999 1.00 . A A . 9 LEU CD1 1 1 11 1619 1 1 9 LEU CD2 C 6.960 -3.394 1.281 1.00 . A A . 9 LEU CD2 1 1 11 1620 1 1 9 LEU CG C 5.589 -2.868 1.681 1.00 . A A . 9 LEU CG 1 1 11 1621 1 1 9 LEU H H 4.283 -3.028 -0.549 1.00 . A A . 9 LEU H 1 1 11 1622 1 1 9 LEU HA H 5.328 -5.489 0.419 1.00 . A A . 9 LEU HA 1 1 11 1623 1 1 9 LEU HB2 H 3.612 -3.596 2.035 1.00 . A A . 9 LEU HB2 1 1 11 1624 1 1 9 LEU HB3 H 4.901 -4.663 2.596 1.00 . A A . 9 LEU HB3 1 1 11 1625 1 1 9 LEU HD11 H 6.230 -1.190 2.866 1.00 . A A . 9 LEU HD11 1 1 11 1626 1 1 9 LEU HD12 H 6.188 -2.743 3.723 1.00 . A A . 9 LEU HD12 1 1 11 1627 1 1 9 LEU HD13 H 4.675 -1.893 3.369 1.00 . A A . 9 LEU HD13 1 1 11 1628 1 1 9 LEU HD21 H 7.228 -4.222 1.938 1.00 . A A . 9 LEU HD21 1 1 11 1629 1 1 9 LEU HD22 H 7.698 -2.598 1.380 1.00 . A A . 9 LEU HD22 1 1 11 1630 1 1 9 LEU HD23 H 6.938 -3.743 0.249 1.00 . A A . 9 LEU HD23 1 1 11 1631 1 1 9 LEU HG H 5.240 -2.176 0.913 1.00 . A A . 9 LEU HG 1 1 11 1632 1 1 9 LEU N N 4.288 -4.042 -0.655 1.00 . A A . 9 LEU N 1 1 11 1633 1 1 9 LEU O O 3.349 -7.027 0.542 1.00 . A A . 9 LEU O 1 1 11 1634 1 1 10 MET C C 0.332 -6.510 -0.198 1.00 . A A . 10 MET C 1 1 11 1635 1 1 10 MET CA C 0.847 -6.002 1.145 1.00 . A A . 10 MET CA 1 1 11 1636 1 1 10 MET CB C -0.229 -5.153 1.828 1.00 . A A . 10 MET CB 1 1 11 1637 1 1 10 MET CE C -1.800 -3.470 3.840 1.00 . A A . 10 MET CE 1 1 11 1638 1 1 10 MET CG C -1.099 -5.939 2.795 1.00 . A A . 10 MET CG 1 1 11 1639 1 1 10 MET H H 2.033 -4.213 1.078 1.00 . A A . 10 MET H 1 1 11 1640 1 1 10 MET HA H 1.074 -6.863 1.776 1.00 . A A . 10 MET HA 1 1 11 1641 1 1 10 MET HB2 H 0.289 -4.389 2.394 1.00 . A A . 10 MET HB2 1 1 11 1642 1 1 10 MET HB3 H -0.865 -4.697 1.087 1.00 . A A . 10 MET HB3 1 1 11 1643 1 1 10 MET HE1 H -1.283 -3.009 3.031 1.00 . A A . 10 MET HE1 1 1 11 1644 1 1 10 MET HE2 H -2.575 -2.794 4.202 1.00 . A A . 10 MET HE2 1 1 11 1645 1 1 10 MET HE3 H -1.096 -3.674 4.647 1.00 . A A . 10 MET HE3 1 1 11 1646 1 1 10 MET HG2 H -1.423 -6.855 2.302 1.00 . A A . 10 MET HG2 1 1 11 1647 1 1 10 MET HG3 H -0.507 -6.201 3.674 1.00 . A A . 10 MET HG3 1 1 11 1648 1 1 10 MET N N 2.070 -5.227 0.974 1.00 . A A . 10 MET N 1 1 11 1649 1 1 10 MET O O -0.600 -7.298 -0.199 1.00 . A A . 10 MET O 1 1 11 1650 1 1 10 MET SD S -2.551 -5.014 3.330 1.00 . A A . 10 MET SD 1 1 12 1651 1 1 1 GLY C C -6.503 3.750 3.457 1.00 . A A . 1 GLY C 1 1 12 1652 1 1 1 GLY CA C -7.692 4.594 3.871 1.00 . A A . 1 GLY CA 1 1 12 1653 1 1 1 GLY H1 H -9.552 3.808 4.202 1.00 . A A . 1 GLY H1 1 1 12 1654 1 1 1 GLY H2 H -8.765 3.202 2.823 1.00 . A A . 1 GLY H2 1 1 12 1655 1 1 1 GLY H3 H -9.435 4.764 2.809 1.00 . A A . 1 GLY H3 1 1 12 1656 1 1 1 GLY HA2 H -7.566 5.599 3.470 1.00 . A A . 1 GLY HA2 1 1 12 1657 1 1 1 GLY HA3 H -7.723 4.649 4.959 1.00 . A A . 1 GLY HA3 1 1 12 1658 1 1 1 GLY N N -8.950 4.054 3.393 1.00 . A A . 1 GLY N 1 1 12 1659 1 1 1 GLY O O -5.584 3.532 4.245 1.00 . A A . 1 GLY O 1 1 12 1660 1 1 2 ASN C C -4.119 3.205 1.711 1.00 . A A . 2 ASN C 1 1 12 1661 1 1 2 ASN CA C -5.439 2.441 1.701 1.00 . A A . 2 ASN CA 1 1 12 1662 1 1 2 ASN CB C -5.761 1.972 0.281 1.00 . A A . 2 ASN CB 1 1 12 1663 1 1 2 ASN CG C -6.990 1.087 0.229 1.00 . A A . 2 ASN CG 1 1 12 1664 1 1 2 ASN H H -7.315 3.484 1.614 1.00 . A A . 2 ASN H 1 1 12 1665 1 1 2 ASN HA H -5.339 1.564 2.338 1.00 . A A . 2 ASN HA 1 1 12 1666 1 1 2 ASN HB2 H -5.924 2.847 -0.349 1.00 . A A . 2 ASN HB2 1 1 12 1667 1 1 2 ASN HB3 H -4.910 1.411 -0.103 1.00 . A A . 2 ASN HB3 1 1 12 1668 1 1 2 ASN HD21 H -8.065 2.567 -0.686 1.00 . A A . 2 ASN HD21 1 1 12 1669 1 1 2 ASN HD22 H -8.933 1.060 -0.371 1.00 . A A . 2 ASN HD22 1 1 12 1670 1 1 2 ASN N N -6.523 3.269 2.218 1.00 . A A . 2 ASN N 1 1 12 1671 1 1 2 ASN ND2 N -8.078 1.616 -0.318 1.00 . A A . 2 ASN ND2 1 1 12 1672 1 1 2 ASN O O -4.043 4.331 2.205 1.00 . A A . 2 ASN O 1 1 12 1673 1 1 2 ASN OD1 O -6.962 -0.061 0.675 1.00 . A A . 2 ASN OD1 1 1 12 1674 1 1 3 HIS C C -0.956 2.666 -0.074 1.00 . A A . 3 HIS C 1 1 12 1675 1 1 3 HIS CA C -1.761 3.207 1.104 1.00 . A A . 3 HIS CA 1 1 12 1676 1 1 3 HIS CB C -1.004 2.966 2.409 1.00 . A A . 3 HIS CB 1 1 12 1677 1 1 3 HIS CD2 C -0.566 5.187 3.675 1.00 . A A . 3 HIS CD2 1 1 12 1678 1 1 3 HIS CE1 C -2.188 5.043 5.145 1.00 . A A . 3 HIS CE1 1 1 12 1679 1 1 3 HIS CG C -1.228 4.031 3.438 1.00 . A A . 3 HIS CG 1 1 12 1680 1 1 3 HIS H H -3.206 1.653 0.767 1.00 . A A . 3 HIS H 1 1 12 1681 1 1 3 HIS HA H -1.882 4.284 0.963 1.00 . A A . 3 HIS HA 1 1 12 1682 1 1 3 HIS HB2 H -1.356 2.043 2.852 1.00 . A A . 3 HIS HB2 1 1 12 1683 1 1 3 HIS HB3 H 0.070 2.885 2.218 1.00 . A A . 3 HIS HB3 1 1 12 1684 1 1 3 HIS HD1 H -2.918 3.215 4.465 1.00 . A A . 3 HIS HD1 1 1 12 1685 1 1 3 HIS HD2 H 0.141 5.651 3.003 1.00 . A A . 3 HIS HD2 1 1 12 1686 1 1 3 HIS HE1 H -2.856 5.263 5.965 1.00 . A A . 3 HIS HE1 1 1 12 1687 1 1 3 HIS N N -3.080 2.586 1.160 1.00 . A A . 3 HIS N 1 1 12 1688 1 1 3 HIS ND1 N -2.238 3.970 4.376 1.00 . A A . 3 HIS ND1 1 1 12 1689 1 1 3 HIS NE2 N -1.180 5.798 4.740 1.00 . A A . 3 HIS NE2 1 1 12 1690 1 1 3 HIS O O -1.431 1.816 -0.825 1.00 . A A . 3 HIS O 1 1 12 1691 1 1 4 TRP C C 1.796 1.400 -0.986 1.00 . A A . 4 TRP C 1 1 12 1692 1 1 4 TRP CA C 1.136 2.734 -1.315 1.00 . A A . 4 TRP CA 1 1 12 1693 1 1 4 TRP CB C 2.206 3.792 -1.591 1.00 . A A . 4 TRP CB 1 1 12 1694 1 1 4 TRP CD1 C 2.979 4.809 0.630 1.00 . A A . 4 TRP CD1 1 1 12 1695 1 1 4 TRP CD2 C 4.427 3.355 -0.269 1.00 . A A . 4 TRP CD2 1 1 12 1696 1 1 4 TRP CE2 C 4.967 3.837 0.938 1.00 . A A . 4 TRP CE2 1 1 12 1697 1 1 4 TRP CE3 C 5.160 2.426 -1.012 1.00 . A A . 4 TRP CE3 1 1 12 1698 1 1 4 TRP CG C 3.155 3.989 -0.448 1.00 . A A . 4 TRP CG 1 1 12 1699 1 1 4 TRP CH2 C 6.903 2.512 0.670 1.00 . A A . 4 TRP CH2 1 1 12 1700 1 1 4 TRP CZ2 C 6.207 3.422 1.418 1.00 . A A . 4 TRP CZ2 1 1 12 1701 1 1 4 TRP CZ3 C 6.390 2.014 -0.536 1.00 . A A . 4 TRP CZ3 1 1 12 1702 1 1 4 TRP H H 0.600 3.873 0.428 1.00 . A A . 4 TRP H 1 1 12 1703 1 1 4 TRP HA H 0.535 2.607 -2.217 1.00 . A A . 4 TRP HA 1 1 12 1704 1 1 4 TRP HB2 H 2.777 3.495 -2.470 1.00 . A A . 4 TRP HB2 1 1 12 1705 1 1 4 TRP HB3 H 1.709 4.741 -1.799 1.00 . A A . 4 TRP HB3 1 1 12 1706 1 1 4 TRP HD1 H 2.115 5.434 0.799 1.00 . A A . 4 TRP HD1 1 1 12 1707 1 1 4 TRP HE1 H 4.193 5.230 2.344 1.00 . A A . 4 TRP HE1 1 1 12 1708 1 1 4 TRP HE3 H 4.768 2.039 -1.941 1.00 . A A . 4 TRP HE3 1 1 12 1709 1 1 4 TRP HH2 H 7.867 2.173 1.018 1.00 . A A . 4 TRP HH2 1 1 12 1710 1 1 4 TRP HZ2 H 6.605 3.804 2.345 1.00 . A A . 4 TRP HZ2 1 1 12 1711 1 1 4 TRP HZ3 H 6.961 1.297 -1.106 1.00 . A A . 4 TRP HZ3 1 1 12 1712 1 1 4 TRP N N 0.265 3.167 -0.228 1.00 . A A . 4 TRP N 1 1 12 1713 1 1 4 TRP NE1 N 4.067 4.723 1.468 1.00 . A A . 4 TRP NE1 1 1 12 1714 1 1 4 TRP O O 1.932 0.533 -1.850 1.00 . A A . 4 TRP O 1 1 12 1715 1 1 5 ALA C C 1.885 -1.171 0.639 1.00 . A A . 5 ALA C 1 1 12 1716 1 1 5 ALA CA C 2.848 0.009 0.713 1.00 . A A . 5 ALA CA 1 1 12 1717 1 1 5 ALA CB C 3.377 0.173 2.130 1.00 . A A . 5 ALA CB 1 1 12 1718 1 1 5 ALA H H 2.061 1.995 0.941 1.00 . A A . 5 ALA H 1 1 12 1719 1 1 5 ALA HA H 3.688 -0.191 0.045 1.00 . A A . 5 ALA HA 1 1 12 1720 1 1 5 ALA HB1 H 3.503 1.236 2.336 1.00 . A A . 5 ALA HB1 1 1 12 1721 1 1 5 ALA HB2 H 4.340 -0.323 2.227 1.00 . A A . 5 ALA HB2 1 1 12 1722 1 1 5 ALA HB3 H 2.675 -0.247 2.855 1.00 . A A . 5 ALA HB3 1 1 12 1723 1 1 5 ALA N N 2.204 1.240 0.270 1.00 . A A . 5 ALA N 1 1 12 1724 1 1 5 ALA O O 2.302 -2.329 0.684 1.00 . A A . 5 ALA O 1 1 12 1725 1 1 6 VAL C C -0.332 -2.672 -0.870 1.00 . A A . 6 VAL C 1 1 12 1726 1 1 6 VAL CA C -0.427 -1.907 0.444 1.00 . A A . 6 VAL CA 1 1 12 1727 1 1 6 VAL CB C -1.842 -1.313 0.579 1.00 . A A . 6 VAL CB 1 1 12 1728 1 1 6 VAL CG1 C -2.865 -2.414 0.807 1.00 . A A . 6 VAL CG1 1 1 12 1729 1 1 6 VAL CG2 C -1.885 -0.291 1.705 1.00 . A A . 6 VAL CG2 1 1 12 1730 1 1 6 VAL H H 0.315 0.109 0.491 1.00 . A A . 6 VAL H 1 1 12 1731 1 1 6 VAL HA H -0.273 -2.606 1.265 1.00 . A A . 6 VAL HA 1 1 12 1732 1 1 6 VAL HB H -2.092 -0.806 -0.356 1.00 . A A . 6 VAL HB 1 1 12 1733 1 1 6 VAL HG11 H -2.580 -2.986 1.690 1.00 . A A . 6 VAL HG11 1 1 12 1734 1 1 6 VAL HG12 H -2.898 -3.074 -0.059 1.00 . A A . 6 VAL HG12 1 1 12 1735 1 1 6 VAL HG13 H -3.848 -1.970 0.964 1.00 . A A . 6 VAL HG13 1 1 12 1736 1 1 6 VAL HG21 H -2.880 0.147 1.774 1.00 . A A . 6 VAL HG21 1 1 12 1737 1 1 6 VAL HG22 H -1.159 0.480 1.483 1.00 . A A . 6 VAL HG22 1 1 12 1738 1 1 6 VAL HG23 H -1.631 -0.779 2.646 1.00 . A A . 6 VAL HG23 1 1 12 1739 1 1 6 VAL N N 0.595 -0.871 0.525 1.00 . A A . 6 VAL N 1 1 12 1740 1 1 6 VAL O O -0.760 -3.822 -0.965 1.00 . A A . 6 VAL O 1 1 12 1741 1 1 7 GLY C C 1.643 -3.484 -3.289 1.00 . A A . 7 GLY C 1 1 12 1742 1 1 7 GLY CA C 0.374 -2.660 -3.183 1.00 . A A . 7 GLY CA 1 1 12 1743 1 1 7 GLY H H 0.570 -1.072 -1.749 1.00 . A A . 7 GLY H 1 1 12 1744 1 1 7 GLY HA2 H -0.487 -3.307 -3.371 1.00 . A A . 7 GLY HA2 1 1 12 1745 1 1 7 GLY HA3 H 0.401 -1.883 -3.946 1.00 . A A . 7 GLY HA3 1 1 12 1746 1 1 7 GLY N N 0.233 -2.025 -1.885 1.00 . A A . 7 GLY N 1 1 12 1747 1 1 7 GLY O O 1.592 -4.681 -3.572 1.00 . A A . 7 GLY O 1 1 12 1748 1 1 8 HIS C C 4.157 -4.638 -2.100 1.00 . A A . 8 HIS C 1 1 12 1749 1 1 8 HIS CA C 4.073 -3.523 -3.138 1.00 . A A . 8 HIS CA 1 1 12 1750 1 1 8 HIS CB C 5.213 -2.527 -2.928 1.00 . A A . 8 HIS CB 1 1 12 1751 1 1 8 HIS CD2 C 5.050 -1.361 -5.239 1.00 . A A . 8 HIS CD2 1 1 12 1752 1 1 8 HIS CE1 C 7.192 -1.245 -5.692 1.00 . A A . 8 HIS CE1 1 1 12 1753 1 1 8 HIS CG C 5.716 -1.916 -4.200 1.00 . A A . 8 HIS CG 1 1 12 1754 1 1 8 HIS H H 2.762 -1.847 -2.841 1.00 . A A . 8 HIS H 1 1 12 1755 1 1 8 HIS HA H 4.174 -3.968 -4.129 1.00 . A A . 8 HIS HA 1 1 12 1756 1 1 8 HIS HB2 H 4.856 -1.727 -2.282 1.00 . A A . 8 HIS HB2 1 1 12 1757 1 1 8 HIS HB3 H 6.052 -3.026 -2.433 1.00 . A A . 8 HIS HB3 1 1 12 1758 1 1 8 HIS HD1 H 7.823 -2.158 -3.930 1.00 . A A . 8 HIS HD1 1 1 12 1759 1 1 8 HIS HD2 H 4.009 -1.074 -5.233 1.00 . A A . 8 HIS HD2 1 1 12 1760 1 1 8 HIS HE1 H 8.128 -1.044 -6.191 1.00 . A A . 8 HIS HE1 1 1 12 1761 1 1 8 HIS N N 2.785 -2.842 -3.065 1.00 . A A . 8 HIS N 1 1 12 1762 1 1 8 HIS ND1 N 7.055 -1.828 -4.514 1.00 . A A . 8 HIS ND1 1 1 12 1763 1 1 8 HIS NE2 N 5.989 -0.951 -6.153 1.00 . A A . 8 HIS NE2 1 1 12 1764 1 1 8 HIS O O 4.220 -5.818 -2.445 1.00 . A A . 8 HIS O 1 1 12 1765 1 1 9 LEU C C 3.173 -6.305 0.105 1.00 . A A . 9 LEU C 1 1 12 1766 1 1 9 LEU CA C 4.236 -5.223 0.262 1.00 . A A . 9 LEU CA 1 1 12 1767 1 1 9 LEU CB C 4.068 -4.517 1.609 1.00 . A A . 9 LEU CB 1 1 12 1768 1 1 9 LEU CD1 C 4.728 -2.719 3.226 1.00 . A A . 9 LEU CD1 1 1 12 1769 1 1 9 LEU CD2 C 6.367 -3.520 1.514 1.00 . A A . 9 LEU CD2 1 1 12 1770 1 1 9 LEU CG C 4.898 -3.250 1.811 1.00 . A A . 9 LEU CG 1 1 12 1771 1 1 9 LEU H H 4.110 -3.260 -0.608 1.00 . A A . 9 LEU H 1 1 12 1772 1 1 9 LEU HA H 5.217 -5.696 0.239 1.00 . A A . 9 LEU HA 1 1 12 1773 1 1 9 LEU HB2 H 3.018 -4.266 1.741 1.00 . A A . 9 LEU HB2 1 1 12 1774 1 1 9 LEU HB3 H 4.349 -5.227 2.388 1.00 . A A . 9 LEU HB3 1 1 12 1775 1 1 9 LEU HD11 H 3.726 -2.307 3.346 1.00 . A A . 9 LEU HD11 1 1 12 1776 1 1 9 LEU HD12 H 5.468 -1.944 3.428 1.00 . A A . 9 LEU HD12 1 1 12 1777 1 1 9 LEU HD13 H 4.866 -3.537 3.932 1.00 . A A . 9 LEU HD13 1 1 12 1778 1 1 9 LEU HD21 H 6.691 -4.385 2.091 1.00 . A A . 9 LEU HD21 1 1 12 1779 1 1 9 LEU HD22 H 6.967 -2.652 1.791 1.00 . A A . 9 LEU HD22 1 1 12 1780 1 1 9 LEU HD23 H 6.500 -3.723 0.452 1.00 . A A . 9 LEU HD23 1 1 12 1781 1 1 9 LEU HG H 4.544 -2.492 1.115 1.00 . A A . 9 LEU HG 1 1 12 1782 1 1 9 LEU N N 4.159 -4.255 -0.827 1.00 . A A . 9 LEU N 1 1 12 1783 1 1 9 LEU O O 3.491 -7.472 -0.122 1.00 . A A . 9 LEU O 1 1 12 1784 1 1 10 MET C C -0.041 -6.522 -1.134 1.00 . A A . 10 MET C 1 1 12 1785 1 1 10 MET CA C 0.801 -6.845 0.097 1.00 . A A . 10 MET CA 1 1 12 1786 1 1 10 MET CB C -0.075 -6.811 1.351 1.00 . A A . 10 MET CB 1 1 12 1787 1 1 10 MET CE C 0.051 -5.172 4.519 1.00 . A A . 10 MET CE 1 1 12 1788 1 1 10 MET CG C -0.437 -5.406 1.801 1.00 . A A . 10 MET CG 1 1 12 1789 1 1 10 MET H H 1.712 -4.926 0.418 1.00 . A A . 10 MET H 1 1 12 1790 1 1 10 MET HA H 1.188 -7.860 -0.022 1.00 . A A . 10 MET HA 1 1 12 1791 1 1 10 MET HB2 H -0.998 -7.356 1.155 1.00 . A A . 10 MET HB2 1 1 12 1792 1 1 10 MET HB3 H 0.460 -7.308 2.161 1.00 . A A . 10 MET HB3 1 1 12 1793 1 1 10 MET HE1 H -0.182 -5.654 5.468 1.00 . A A . 10 MET HE1 1 1 12 1794 1 1 10 MET HE2 H 0.949 -5.621 4.094 1.00 . A A . 10 MET HE2 1 1 12 1795 1 1 10 MET HE3 H 0.220 -4.108 4.684 1.00 . A A . 10 MET HE3 1 1 12 1796 1 1 10 MET HG2 H 0.478 -4.826 1.906 1.00 . A A . 10 MET HG2 1 1 12 1797 1 1 10 MET HG3 H -1.065 -4.948 1.041 1.00 . A A . 10 MET HG3 1 1 12 1798 1 1 10 MET N N 1.910 -5.909 0.228 1.00 . A A . 10 MET N 1 1 12 1799 1 1 10 MET O O 0.519 -6.489 -2.217 1.00 . A A . 10 MET O 1 1 12 1800 1 1 10 MET SD S -1.313 -5.385 3.377 1.00 . A A . 10 MET SD 1 1 13 1801 1 1 1 GLY C C -5.842 3.130 2.222 1.00 . A A . 1 GLY C 1 1 13 1802 1 1 1 GLY CA C -6.336 3.145 3.656 1.00 . A A . 1 GLY CA 1 1 13 1803 1 1 1 GLY H1 H -8.350 3.294 3.319 1.00 . A A . 1 GLY H1 1 1 13 1804 1 1 1 GLY H2 H -7.530 4.782 3.370 1.00 . A A . 1 GLY H2 1 1 13 1805 1 1 1 GLY H3 H -7.839 3.928 4.806 1.00 . A A . 1 GLY H3 1 1 13 1806 1 1 1 GLY HA2 H -5.591 3.640 4.280 1.00 . A A . 1 GLY HA2 1 1 13 1807 1 1 1 GLY HA3 H -6.456 2.117 3.997 1.00 . A A . 1 GLY HA3 1 1 13 1808 1 1 1 GLY N N -7.604 3.836 3.798 1.00 . A A . 1 GLY N 1 1 13 1809 1 1 1 GLY O O -5.599 4.181 1.632 1.00 . A A . 1 GLY O 1 1 13 1810 1 1 2 ASN C C -3.900 2.523 0.086 1.00 . A A . 2 ASN C 1 1 13 1811 1 1 2 ASN CA C -5.220 1.787 0.290 1.00 . A A . 2 ASN CA 1 1 13 1812 1 1 2 ASN CB C -6.268 2.317 -0.691 1.00 . A A . 2 ASN CB 1 1 13 1813 1 1 2 ASN CG C -7.391 1.325 -0.928 1.00 . A A . 2 ASN CG 1 1 13 1814 1 1 2 ASN H H -5.909 1.102 2.207 1.00 . A A . 2 ASN H 1 1 13 1815 1 1 2 ASN HA H -5.061 0.727 0.088 1.00 . A A . 2 ASN HA 1 1 13 1816 1 1 2 ASN HB2 H -6.693 3.232 -0.284 1.00 . A A . 2 ASN HB2 1 1 13 1817 1 1 2 ASN HB3 H -5.798 2.542 -1.651 1.00 . A A . 2 ASN HB3 1 1 13 1818 1 1 2 ASN HD21 H -8.067 2.415 -2.522 1.00 . A A . 2 ASN HD21 1 1 13 1819 1 1 2 ASN HD22 H -8.975 0.948 -2.145 1.00 . A A . 2 ASN HD22 1 1 13 1820 1 1 2 ASN N N -5.691 1.935 1.662 1.00 . A A . 2 ASN N 1 1 13 1821 1 1 2 ASN ND2 N -8.206 1.586 -1.944 1.00 . A A . 2 ASN ND2 1 1 13 1822 1 1 2 ASN O O -3.647 3.084 -0.981 1.00 . A A . 2 ASN O 1 1 13 1823 1 1 2 ASN OD1 O -7.524 0.336 -0.207 1.00 . A A . 2 ASN OD1 1 1 13 1824 1 1 3 HIS C C -0.927 2.630 -0.101 1.00 . A A . 3 HIS C 1 1 13 1825 1 1 3 HIS CA C -1.763 3.181 1.051 1.00 . A A . 3 HIS CA 1 1 13 1826 1 1 3 HIS CB C -1.010 3.009 2.370 1.00 . A A . 3 HIS CB 1 1 13 1827 1 1 3 HIS CD2 C -0.724 5.324 3.506 1.00 . A A . 3 HIS CD2 1 1 13 1828 1 1 3 HIS CE1 C -2.243 5.104 5.071 1.00 . A A . 3 HIS CE1 1 1 13 1829 1 1 3 HIS CG C -1.282 4.100 3.360 1.00 . A A . 3 HIS CG 1 1 13 1830 1 1 3 HIS H H -3.326 2.031 1.973 1.00 . A A . 3 HIS H 1 1 13 1831 1 1 3 HIS HA H -1.928 4.245 0.876 1.00 . A A . 3 HIS HA 1 1 13 1832 1 1 3 HIS HB2 H -1.329 2.089 2.841 1.00 . A A . 3 HIS HB2 1 1 13 1833 1 1 3 HIS HB3 H 0.067 2.964 2.189 1.00 . A A . 3 HIS HB3 1 1 13 1834 1 1 3 HIS HD1 H -2.826 3.182 4.520 1.00 . A A . 3 HIS HD1 1 1 13 1835 1 1 3 HIS HD2 H 0.191 5.652 3.036 1.00 . A A . 3 HIS HD2 1 1 13 1836 1 1 3 HIS HE1 H -2.886 5.301 5.917 1.00 . A A . 3 HIS HE1 1 1 13 1837 1 1 3 HIS N N -3.059 2.516 1.116 1.00 . A A . 3 HIS N 1 1 13 1838 1 1 3 HIS ND1 N -2.229 3.993 4.357 1.00 . A A . 3 HIS ND1 1 1 13 1839 1 1 3 HIS NE2 N -1.337 5.928 4.575 1.00 . A A . 3 HIS NE2 1 1 13 1840 1 1 3 HIS O O -1.365 1.738 -0.827 1.00 . A A . 3 HIS O 1 1 13 1841 1 1 4 TRP C C 1.825 1.395 -0.974 1.00 . A A . 4 TRP C 1 1 13 1842 1 1 4 TRP CA C 1.173 2.729 -1.325 1.00 . A A . 4 TRP CA 1 1 13 1843 1 1 4 TRP CB C 2.251 3.784 -1.579 1.00 . A A . 4 TRP CB 1 1 13 1844 1 1 4 TRP CD1 C 2.977 4.811 0.654 1.00 . A A . 4 TRP CD1 1 1 13 1845 1 1 4 TRP CD2 C 4.438 3.347 -0.204 1.00 . A A . 4 TRP CD2 1 1 13 1846 1 1 4 TRP CE2 C 4.953 3.833 1.013 1.00 . A A . 4 TRP CE2 1 1 13 1847 1 1 4 TRP CE3 C 5.185 2.411 -0.925 1.00 . A A . 4 TRP CE3 1 1 13 1848 1 1 4 TRP CG C 3.173 3.984 -0.415 1.00 . A A . 4 TRP CG 1 1 13 1849 1 1 4 TRP CH2 C 6.889 2.498 0.797 1.00 . A A . 4 TRP CH2 1 1 13 1850 1 1 4 TRP CZ2 C 6.179 3.416 1.522 1.00 . A A . 4 TRP CZ2 1 1 13 1851 1 1 4 TRP CZ3 C 6.402 1.998 -0.418 1.00 . A A . 4 TRP CZ3 1 1 13 1852 1 1 4 TRP H H 0.581 3.904 0.375 1.00 . A A . 4 TRP H 1 1 13 1853 1 1 4 TRP HA H 0.593 2.599 -2.239 1.00 . A A . 4 TRP HA 1 1 13 1854 1 1 4 TRP HB2 H 2.841 3.484 -2.443 1.00 . A A . 4 TRP HB2 1 1 13 1855 1 1 4 TRP HB3 H 1.758 4.733 -1.801 1.00 . A A . 4 TRP HB3 1 1 13 1856 1 1 4 TRP HD1 H 2.111 5.440 0.800 1.00 . A A . 4 TRP HD1 1 1 13 1857 1 1 4 TRP HE1 H 4.151 5.238 2.393 1.00 . A A . 4 TRP HE1 1 1 13 1858 1 1 4 TRP HE3 H 4.813 2.023 -1.861 1.00 . A A . 4 TRP HE3 1 1 13 1859 1 1 4 TRP HH2 H 7.843 2.157 1.169 1.00 . A A . 4 TRP HH2 1 1 13 1860 1 1 4 TRP HZ2 H 6.557 3.800 2.458 1.00 . A A . 4 TRP HZ2 1 1 13 1861 1 1 4 TRP HZ3 H 6.982 1.275 -0.972 1.00 . A A . 4 TRP HZ3 1 1 13 1862 1 1 4 TRP N N 0.277 3.167 -0.261 1.00 . A A . 4 TRP N 1 1 13 1863 1 1 4 TRP NE1 N 4.043 4.726 1.516 1.00 . A A . 4 TRP NE1 1 1 13 1864 1 1 4 TRP O O 1.981 0.527 -1.831 1.00 . A A . 4 TRP O 1 1 13 1865 1 1 5 ALA C C 1.867 -1.165 0.679 1.00 . A A . 5 ALA C 1 1 13 1866 1 1 5 ALA CA C 2.834 0.012 0.756 1.00 . A A . 5 ALA CA 1 1 13 1867 1 1 5 ALA CB C 3.345 0.186 2.178 1.00 . A A . 5 ALA CB 1 1 13 1868 1 1 5 ALA H H 2.042 1.999 0.956 1.00 . A A . 5 ALA H 1 1 13 1869 1 1 5 ALA HA H 3.682 -0.199 0.102 1.00 . A A . 5 ALA HA 1 1 13 1870 1 1 5 ALA HB1 H 3.496 1.248 2.369 1.00 . A A . 5 ALA HB1 1 1 13 1871 1 1 5 ALA HB2 H 4.293 -0.334 2.300 1.00 . A A . 5 ALA HB2 1 1 13 1872 1 1 5 ALA HB3 H 2.621 -0.204 2.897 1.00 . A A . 5 ALA HB3 1 1 13 1873 1 1 5 ALA N N 2.202 1.241 0.291 1.00 . A A . 5 ALA N 1 1 13 1874 1 1 5 ALA O O 2.278 -2.324 0.728 1.00 . A A . 5 ALA O 1 1 13 1875 1 1 6 VAL C C -0.353 -2.656 -0.840 1.00 . A A . 6 VAL C 1 1 13 1876 1 1 6 VAL CA C -0.447 -1.893 0.476 1.00 . A A . 6 VAL CA 1 1 13 1877 1 1 6 VAL CB C -1.860 -1.293 0.608 1.00 . A A . 6 VAL CB 1 1 13 1878 1 1 6 VAL CG1 C -2.887 -2.391 0.836 1.00 . A A . 6 VAL CG1 1 1 13 1879 1 1 6 VAL CG2 C -1.901 -0.270 1.734 1.00 . A A . 6 VAL CG2 1 1 13 1880 1 1 6 VAL H H 0.302 0.121 0.524 1.00 . A A . 6 VAL H 1 1 13 1881 1 1 6 VAL HA H -0.297 -2.575 1.303 1.00 . A A . 6 VAL HA 1 1 13 1882 1 1 6 VAL HB H -2.107 -0.785 -0.327 1.00 . A A . 6 VAL HB 1 1 13 1883 1 1 6 VAL HG11 H -2.599 -2.973 1.711 1.00 . A A . 6 VAL HG11 1 1 13 1884 1 1 6 VAL HG12 H -2.930 -3.043 -0.037 1.00 . A A . 6 VAL HG12 1 1 13 1885 1 1 6 VAL HG13 H -3.867 -1.946 1.005 1.00 . A A . 6 VAL HG13 1 1 13 1886 1 1 6 VAL HG21 H -2.892 0.179 1.795 1.00 . A A . 6 VAL HG21 1 1 13 1887 1 1 6 VAL HG22 H -1.166 0.492 1.519 1.00 . A A . 6 VAL HG22 1 1 13 1888 1 1 6 VAL HG23 H -1.658 -0.761 2.676 1.00 . A A . 6 VAL HG23 1 1 13 1889 1 1 6 VAL N N 0.578 -0.860 0.560 1.00 . A A . 6 VAL N 1 1 13 1890 1 1 6 VAL O O -0.792 -3.801 -0.938 1.00 . A A . 6 VAL O 1 1 13 1891 1 1 7 GLY C C 1.636 -3.473 -3.253 1.00 . A A . 7 GLY C 1 1 13 1892 1 1 7 GLY CA C 0.368 -2.649 -3.148 1.00 . A A . 7 GLY CA 1 1 13 1893 1 1 7 GLY H H 0.573 -1.066 -1.713 1.00 . A A . 7 GLY H 1 1 13 1894 1 1 7 GLY HA2 H -0.493 -3.296 -3.338 1.00 . A A . 7 GLY HA2 1 1 13 1895 1 1 7 GLY HA3 H 0.395 -1.872 -3.912 1.00 . A A . 7 GLY HA3 1 1 13 1896 1 1 7 GLY N N 0.226 -2.014 -1.851 1.00 . A A . 7 GLY N 1 1 13 1897 1 1 7 GLY O O 1.581 -4.685 -3.468 1.00 . A A . 7 GLY O 1 1 13 1898 1 1 8 HIS C C 4.151 -4.629 -2.164 1.00 . A A . 8 HIS C 1 1 13 1899 1 1 8 HIS CA C 4.069 -3.498 -3.185 1.00 . A A . 8 HIS CA 1 1 13 1900 1 1 8 HIS CB C 5.210 -2.505 -2.956 1.00 . A A . 8 HIS CB 1 1 13 1901 1 1 8 HIS CD2 C 5.150 -1.355 -5.280 1.00 . A A . 8 HIS CD2 1 1 13 1902 1 1 8 HIS CE1 C 7.303 -1.347 -5.690 1.00 . A A . 8 HIS CE1 1 1 13 1903 1 1 8 HIS CG C 5.768 -1.931 -4.222 1.00 . A A . 8 HIS CG 1 1 13 1904 1 1 8 HIS H H 2.761 -1.811 -2.931 1.00 . A A . 8 HIS H 1 1 13 1905 1 1 8 HIS HA H 4.171 -3.929 -4.181 1.00 . A A . 8 HIS HA 1 1 13 1906 1 1 8 HIS HB2 H 4.834 -1.685 -2.348 1.00 . A A . 8 HIS HB2 1 1 13 1907 1 1 8 HIS HB3 H 6.025 -2.996 -2.415 1.00 . A A . 8 HIS HB3 1 1 13 1908 1 1 8 HIS HD1 H 7.855 -2.276 -3.908 1.00 . A A . 8 HIS HD1 1 1 13 1909 1 1 8 HIS HD2 H 4.090 -1.394 -5.484 1.00 . A A . 8 HIS HD2 1 1 13 1910 1 1 8 HIS HE1 H 8.258 -1.197 -6.171 1.00 . A A . 8 HIS HE1 1 1 13 1911 1 1 8 HIS N N 2.781 -2.817 -3.104 1.00 . A A . 8 HIS N 1 1 13 1912 1 1 8 HIS ND1 N 7.116 -1.912 -4.510 1.00 . A A . 8 HIS ND1 1 1 13 1913 1 1 8 HIS NE2 N 6.127 -1.001 -6.178 1.00 . A A . 8 HIS NE2 1 1 13 1914 1 1 8 HIS O O 4.218 -5.804 -2.528 1.00 . A A . 8 HIS O 1 1 13 1915 1 1 9 LEU C C 3.159 -6.334 0.008 1.00 . A A . 9 LEU C 1 1 13 1916 1 1 9 LEU CA C 4.219 -5.252 0.188 1.00 . A A . 9 LEU CA 1 1 13 1917 1 1 9 LEU CB C 4.041 -4.569 1.545 1.00 . A A . 9 LEU CB 1 1 13 1918 1 1 9 LEU CD1 C 4.677 -2.789 3.192 1.00 . A A . 9 LEU CD1 1 1 13 1919 1 1 9 LEU CD2 C 6.343 -3.577 1.501 1.00 . A A . 9 LEU CD2 1 1 13 1920 1 1 9 LEU CG C 4.870 -3.306 1.775 1.00 . A A . 9 LEU CG 1 1 13 1921 1 1 9 LEU H H 4.092 -3.276 -0.651 1.00 . A A . 9 LEU H 1 1 13 1922 1 1 9 LEU HA H 5.201 -5.722 0.163 1.00 . A A . 9 LEU HA 1 1 13 1923 1 1 9 LEU HB2 H 2.990 -4.319 1.673 1.00 . A A . 9 LEU HB2 1 1 13 1924 1 1 9 LEU HB3 H 4.316 -5.292 2.314 1.00 . A A . 9 LEU HB3 1 1 13 1925 1 1 9 LEU HD11 H 5.417 -2.023 3.417 1.00 . A A . 9 LEU HD11 1 1 13 1926 1 1 9 LEU HD12 H 4.797 -3.617 3.892 1.00 . A A . 9 LEU HD12 1 1 13 1927 1 1 9 LEU HD13 H 3.676 -2.371 3.297 1.00 . A A . 9 LEU HD13 1 1 13 1928 1 1 9 LEU HD21 H 6.940 -2.717 1.801 1.00 . A A . 9 LEU HD21 1 1 13 1929 1 1 9 LEU HD22 H 6.494 -3.764 0.438 1.00 . A A . 9 LEU HD22 1 1 13 1930 1 1 9 LEU HD23 H 6.653 -4.452 2.073 1.00 . A A . 9 LEU HD23 1 1 13 1931 1 1 9 LEU HG H 4.531 -2.540 1.080 1.00 . A A . 9 LEU HG 1 1 13 1932 1 1 9 LEU N N 4.144 -4.267 -0.886 1.00 . A A . 9 LEU N 1 1 13 1933 1 1 9 LEU O O 3.479 -7.519 -0.093 1.00 . A A . 9 LEU O 1 1 13 1934 1 1 10 MET C C -0.068 -6.465 -1.404 1.00 . A A . 10 MET C 1 1 13 1935 1 1 10 MET CA C 0.792 -6.854 -0.206 1.00 . A A . 10 MET CA 1 1 13 1936 1 1 10 MET CB C -0.068 -6.899 1.059 1.00 . A A . 10 MET CB 1 1 13 1937 1 1 10 MET CE C 0.032 -4.525 3.746 1.00 . A A . 10 MET CE 1 1 13 1938 1 1 10 MET CG C -0.812 -5.601 1.335 1.00 . A A . 10 MET CG 1 1 13 1939 1 1 10 MET H H 1.698 -4.923 0.056 1.00 . A A . 10 MET H 1 1 13 1940 1 1 10 MET HA H 1.183 -7.859 -0.389 1.00 . A A . 10 MET HA 1 1 13 1941 1 1 10 MET HB2 H -0.802 -7.699 0.958 1.00 . A A . 10 MET HB2 1 1 13 1942 1 1 10 MET HB3 H 0.577 -7.120 1.909 1.00 . A A . 10 MET HB3 1 1 13 1943 1 1 10 MET HE1 H 0.079 -4.685 4.823 1.00 . A A . 10 MET HE1 1 1 13 1944 1 1 10 MET HE2 H 0.964 -4.860 3.289 1.00 . A A . 10 MET HE2 1 1 13 1945 1 1 10 MET HE3 H -0.112 -3.464 3.543 1.00 . A A . 10 MET HE3 1 1 13 1946 1 1 10 MET HG2 H -0.134 -4.788 1.116 1.00 . A A . 10 MET HG2 1 1 13 1947 1 1 10 MET HG3 H -1.680 -5.534 0.677 1.00 . A A . 10 MET HG3 1 1 13 1948 1 1 10 MET N N 1.898 -5.919 -0.033 1.00 . A A . 10 MET N 1 1 13 1949 1 1 10 MET O O -1.077 -7.118 -1.613 1.00 . A A . 10 MET O 1 1 13 1950 1 1 10 MET SD S -1.335 -5.453 3.054 1.00 . A A . 10 MET SD 1 1 14 1951 1 1 1 GLY C C -5.550 1.917 3.003 1.00 . A A . 1 GLY C 1 1 14 1952 1 1 1 GLY CA C -6.339 2.497 4.160 1.00 . A A . 1 GLY CA 1 1 14 1953 1 1 1 GLY H1 H -7.851 1.180 3.743 1.00 . A A . 1 GLY H1 1 1 14 1954 1 1 1 GLY H2 H -8.239 2.810 3.460 1.00 . A A . 1 GLY H2 1 1 14 1955 1 1 1 GLY H3 H -8.165 2.214 5.049 1.00 . A A . 1 GLY H3 1 1 14 1956 1 1 1 GLY HA2 H -6.242 3.582 4.143 1.00 . A A . 1 GLY HA2 1 1 14 1957 1 1 1 GLY HA3 H -5.923 2.120 5.094 1.00 . A A . 1 GLY HA3 1 1 14 1958 1 1 1 GLY N N -7.748 2.151 4.099 1.00 . A A . 1 GLY N 1 1 14 1959 1 1 1 GLY O O -4.613 1.146 3.208 1.00 . A A . 1 GLY O 1 1 14 1960 1 1 2 ASN C C -3.980 2.594 0.320 1.00 . A A . 2 ASN C 1 1 14 1961 1 1 2 ASN CA C -5.251 1.795 0.590 1.00 . A A . 2 ASN CA 1 1 14 1962 1 1 2 ASN CB C -6.183 1.875 -0.621 1.00 . A A . 2 ASN CB 1 1 14 1963 1 1 2 ASN CG C -5.699 1.027 -1.780 1.00 . A A . 2 ASN CG 1 1 14 1964 1 1 2 ASN H H -6.715 2.929 1.680 1.00 . A A . 2 ASN H 1 1 14 1965 1 1 2 ASN HA H -4.980 0.749 0.743 1.00 . A A . 2 ASN HA 1 1 14 1966 1 1 2 ASN HB2 H -7.173 1.526 -0.325 1.00 . A A . 2 ASN HB2 1 1 14 1967 1 1 2 ASN HB3 H -6.254 2.913 -0.945 1.00 . A A . 2 ASN HB3 1 1 14 1968 1 1 2 ASN HD21 H -3.766 1.150 -1.119 1.00 . A A . 2 ASN HD21 1 1 14 1969 1 1 2 ASN HD22 H -4.024 0.215 -2.592 1.00 . A A . 2 ASN HD22 1 1 14 1970 1 1 2 ASN N N -5.929 2.286 1.784 1.00 . A A . 2 ASN N 1 1 14 1971 1 1 2 ASN ND2 N -4.395 0.781 -1.829 1.00 . A A . 2 ASN ND2 1 1 14 1972 1 1 2 ASN O O -3.865 3.274 -0.700 1.00 . A A . 2 ASN O 1 1 14 1973 1 1 2 ASN OD1 O -6.487 0.598 -2.622 1.00 . A A . 2 ASN OD1 1 1 14 1974 1 1 3 HIS C C -0.962 2.684 -0.081 1.00 . A A . 3 HIS C 1 1 14 1975 1 1 3 HIS CA C -1.761 3.219 1.103 1.00 . A A . 3 HIS CA 1 1 14 1976 1 1 3 HIS CB C -0.937 3.096 2.386 1.00 . A A . 3 HIS CB 1 1 14 1977 1 1 3 HIS CD2 C -1.990 4.515 4.284 1.00 . A A . 3 HIS CD2 1 1 14 1978 1 1 3 HIS CE1 C -2.964 2.894 5.393 1.00 . A A . 3 HIS CE1 1 1 14 1979 1 1 3 HIS CG C -1.726 3.359 3.631 1.00 . A A . 3 HIS CG 1 1 14 1980 1 1 3 HIS H H -3.179 1.922 2.064 1.00 . A A . 3 HIS H 1 1 14 1981 1 1 3 HIS HA H -1.978 4.273 0.929 1.00 . A A . 3 HIS HA 1 1 14 1982 1 1 3 HIS HB2 H -0.485 2.117 2.458 1.00 . A A . 3 HIS HB2 1 1 14 1983 1 1 3 HIS HB3 H -0.135 3.835 2.337 1.00 . A A . 3 HIS HB3 1 1 14 1984 1 1 3 HIS HD1 H -2.340 1.369 4.121 1.00 . A A . 3 HIS HD1 1 1 14 1985 1 1 3 HIS HD2 H -1.830 5.508 3.890 1.00 . A A . 3 HIS HD2 1 1 14 1986 1 1 3 HIS HE1 H -3.532 2.352 6.133 1.00 . A A . 3 HIS HE1 1 1 14 1987 1 1 3 HIS N N -3.025 2.506 1.242 1.00 . A A . 3 HIS N 1 1 14 1988 1 1 3 HIS ND1 N -2.350 2.363 4.352 1.00 . A A . 3 HIS ND1 1 1 14 1989 1 1 3 HIS NE2 N -2.761 4.200 5.376 1.00 . A A . 3 HIS NE2 1 1 14 1990 1 1 3 HIS O O -1.449 1.848 -0.843 1.00 . A A . 3 HIS O 1 1 14 1991 1 1 4 TRP C C 1.791 1.405 -1.000 1.00 . A A . 4 TRP C 1 1 14 1992 1 1 4 TRP CA C 1.130 2.741 -1.323 1.00 . A A . 4 TRP CA 1 1 14 1993 1 1 4 TRP CB C 2.199 3.799 -1.601 1.00 . A A . 4 TRP CB 1 1 14 1994 1 1 4 TRP CD1 C 2.987 4.806 0.620 1.00 . A A . 4 TRP CD1 1 1 14 1995 1 1 4 TRP CD2 C 4.428 3.357 -0.298 1.00 . A A . 4 TRP CD2 1 1 14 1996 1 1 4 TRP CE2 C 4.977 3.833 0.909 1.00 . A A . 4 TRP CE2 1 1 14 1997 1 1 4 TRP CE3 C 5.157 2.432 -1.050 1.00 . A A . 4 TRP CE3 1 1 14 1998 1 1 4 TRP CG C 3.155 3.991 -0.463 1.00 . A A . 4 TRP CG 1 1 14 1999 1 1 4 TRP CH2 C 6.912 2.509 0.621 1.00 . A A . 4 TRP CH2 1 1 14 2000 1 1 4 TRP CZ2 C 6.220 3.415 1.377 1.00 . A A . 4 TRP CZ2 1 1 14 2001 1 1 4 TRP CZ3 C 6.390 2.018 -0.585 1.00 . A A . 4 TRP CZ3 1 1 14 2002 1 1 4 TRP H H 0.610 3.862 0.436 1.00 . A A . 4 TRP H 1 1 14 2003 1 1 4 TRP HA H 0.524 2.617 -2.223 1.00 . A A . 4 TRP HA 1 1 14 2004 1 1 4 TRP HB2 H 2.764 3.506 -2.485 1.00 . A A . 4 TRP HB2 1 1 14 2005 1 1 4 TRP HB3 H 1.700 4.748 -1.802 1.00 . A A . 4 TRP HB3 1 1 14 2006 1 1 4 TRP HD1 H 2.123 5.430 0.798 1.00 . A A . 4 TRP HD1 1 1 14 2007 1 1 4 TRP HE1 H 4.212 5.218 2.328 1.00 . A A . 4 TRP HE1 1 1 14 2008 1 1 4 TRP HE3 H 4.759 2.051 -1.979 1.00 . A A . 4 TRP HE3 1 1 14 2009 1 1 4 TRP HH2 H 7.878 2.168 0.962 1.00 . A A . 4 TRP HH2 1 1 14 2010 1 1 4 TRP HZ2 H 6.625 3.791 2.305 1.00 . A A . 4 TRP HZ2 1 1 14 2011 1 1 4 TRP HZ3 H 6.957 1.303 -1.162 1.00 . A A . 4 TRP HZ3 1 1 14 2012 1 1 4 TRP N N 0.264 3.171 -0.231 1.00 . A A . 4 TRP N 1 1 14 2013 1 1 4 TRP NE1 N 4.079 4.716 1.450 1.00 . A A . 4 TRP NE1 1 1 14 2014 1 1 4 TRP O O 1.924 0.543 -1.868 1.00 . A A . 4 TRP O 1 1 14 2015 1 1 5 ALA C C 1.887 -1.171 0.613 1.00 . A A . 5 ALA C 1 1 14 2016 1 1 5 ALA CA C 2.849 0.010 0.688 1.00 . A A . 5 ALA CA 1 1 14 2017 1 1 5 ALA CB C 3.384 0.167 2.104 1.00 . A A . 5 ALA CB 1 1 14 2018 1 1 5 ALA H H 2.064 1.993 0.925 1.00 . A A . 5 ALA H 1 1 14 2019 1 1 5 ALA HA H 3.687 -0.188 0.017 1.00 . A A . 5 ALA HA 1 1 14 2020 1 1 5 ALA HB1 H 3.566 1.224 2.297 1.00 . A A . 5 ALA HB1 1 1 14 2021 1 1 5 ALA HB2 H 4.319 -0.379 2.211 1.00 . A A . 5 ALA HB2 1 1 14 2022 1 1 5 ALA HB3 H 2.659 -0.208 2.830 1.00 . A A . 5 ALA HB3 1 1 14 2023 1 1 5 ALA N N 2.204 1.241 0.251 1.00 . A A . 5 ALA N 1 1 14 2024 1 1 5 ALA O O 2.305 -2.329 0.655 1.00 . A A . 5 ALA O 1 1 14 2025 1 1 6 VAL C C -0.331 -2.668 -0.899 1.00 . A A . 6 VAL C 1 1 14 2026 1 1 6 VAL CA C -0.425 -1.908 0.419 1.00 . A A . 6 VAL CA 1 1 14 2027 1 1 6 VAL CB C -1.839 -1.314 0.557 1.00 . A A . 6 VAL CB 1 1 14 2028 1 1 6 VAL CG1 C -2.862 -2.417 0.785 1.00 . A A . 6 VAL CG1 1 1 14 2029 1 1 6 VAL CG2 C -1.881 -0.296 1.686 1.00 . A A . 6 VAL CG2 1 1 14 2030 1 1 6 VAL H H 0.317 0.110 0.471 1.00 . A A . 6 VAL H 1 1 14 2031 1 1 6 VAL HA H -0.265 -2.578 1.243 1.00 . A A . 6 VAL HA 1 1 14 2032 1 1 6 VAL HB H -2.094 -0.807 -0.378 1.00 . A A . 6 VAL HB 1 1 14 2033 1 1 6 VAL HG11 H -3.860 -1.983 0.856 1.00 . A A . 6 VAL HG11 1 1 14 2034 1 1 6 VAL HG12 H -2.623 -2.934 1.714 1.00 . A A . 6 VAL HG12 1 1 14 2035 1 1 6 VAL HG13 H -2.833 -3.125 -0.044 1.00 . A A . 6 VAL HG13 1 1 14 2036 1 1 6 VAL HG21 H -1.429 0.613 1.348 1.00 . A A . 6 VAL HG21 1 1 14 2037 1 1 6 VAL HG22 H -1.333 -0.683 2.547 1.00 . A A . 6 VAL HG22 1 1 14 2038 1 1 6 VAL HG23 H -2.916 -0.100 1.971 1.00 . A A . 6 VAL HG23 1 1 14 2039 1 1 6 VAL N N 0.597 -0.870 0.501 1.00 . A A . 6 VAL N 1 1 14 2040 1 1 6 VAL O O -0.755 -3.819 -0.995 1.00 . A A . 6 VAL O 1 1 14 2041 1 1 7 GLY C C 1.639 -3.467 -3.326 1.00 . A A . 7 GLY C 1 1 14 2042 1 1 7 GLY CA C 0.369 -2.647 -3.213 1.00 . A A . 7 GLY CA 1 1 14 2043 1 1 7 GLY H H 0.562 -1.063 -1.777 1.00 . A A . 7 GLY H 1 1 14 2044 1 1 7 GLY HA2 H -0.491 -3.295 -3.400 1.00 . A A . 7 GLY HA2 1 1 14 2045 1 1 7 GLY HA3 H 0.391 -1.868 -3.975 1.00 . A A . 7 GLY HA3 1 1 14 2046 1 1 7 GLY N N 0.229 -2.017 -1.914 1.00 . A A . 7 GLY N 1 1 14 2047 1 1 7 GLY O O 1.598 -4.641 -3.696 1.00 . A A . 7 GLY O 1 1 14 2048 1 1 8 HIS C C 4.148 -4.632 -2.025 1.00 . A A . 8 HIS C 1 1 14 2049 1 1 8 HIS CA C 4.060 -3.529 -3.075 1.00 . A A . 8 HIS CA 1 1 14 2050 1 1 8 HIS CB C 5.200 -2.530 -2.878 1.00 . A A . 8 HIS CB 1 1 14 2051 1 1 8 HIS CD2 C 4.920 -1.352 -5.172 1.00 . A A . 8 HIS CD2 1 1 14 2052 1 1 8 HIS CE1 C 7.042 -1.061 -5.644 1.00 . A A . 8 HIS CE1 1 1 14 2053 1 1 8 HIS CG C 5.639 -1.864 -4.146 1.00 . A A . 8 HIS CG 1 1 14 2054 1 1 8 HIS H H 2.741 -1.874 -2.712 1.00 . A A . 8 HIS H 1 1 14 2055 1 1 8 HIS HA H 4.162 -3.984 -4.061 1.00 . A A . 8 HIS HA 1 1 14 2056 1 1 8 HIS HB2 H 4.865 -1.760 -2.187 1.00 . A A . 8 HIS HB2 1 1 14 2057 1 1 8 HIS HB3 H 6.064 -3.040 -2.441 1.00 . A A . 8 HIS HB3 1 1 14 2058 1 1 8 HIS HD1 H 7.763 -1.944 -3.901 1.00 . A A . 8 HIS HD1 1 1 14 2059 1 1 8 HIS HD2 H 3.859 -1.150 -5.153 1.00 . A A . 8 HIS HD2 1 1 14 2060 1 1 8 HIS HE1 H 7.955 -0.779 -6.148 1.00 . A A . 8 HIS HE1 1 1 14 2061 1 1 8 HIS N N 2.772 -2.849 -3.007 1.00 . A A . 8 HIS N 1 1 14 2062 1 1 8 HIS ND1 N 6.965 -1.668 -4.473 1.00 . A A . 8 HIS ND1 1 1 14 2063 1 1 8 HIS NE2 N 5.815 -0.858 -6.089 1.00 . A A . 8 HIS NE2 1 1 14 2064 1 1 8 HIS O O 4.287 -5.811 -2.358 1.00 . A A . 8 HIS O 1 1 14 2065 1 1 9 LEU C C 2.931 -6.130 0.334 1.00 . A A . 9 LEU C 1 1 14 2066 1 1 9 LEU CA C 4.139 -5.200 0.342 1.00 . A A . 9 LEU CA 1 1 14 2067 1 1 9 LEU CB C 4.221 -4.463 1.679 1.00 . A A . 9 LEU CB 1 1 14 2068 1 1 9 LEU CD1 C 5.214 -2.674 3.127 1.00 . A A . 9 LEU CD1 1 1 14 2069 1 1 9 LEU CD2 C 6.519 -3.587 1.198 1.00 . A A . 9 LEU CD2 1 1 14 2070 1 1 9 LEU CG C 5.131 -3.236 1.716 1.00 . A A . 9 LEU CG 1 1 14 2071 1 1 9 LEU H H 3.957 -3.252 -0.548 1.00 . A A . 9 LEU H 1 1 14 2072 1 1 9 LEU HA H 5.043 -5.798 0.221 1.00 . A A . 9 LEU HA 1 1 14 2073 1 1 9 LEU HB2 H 3.217 -4.140 1.958 1.00 . A A . 9 LEU HB2 1 1 14 2074 1 1 9 LEU HB3 H 4.577 -5.167 2.433 1.00 . A A . 9 LEU HB3 1 1 14 2075 1 1 9 LEU HD11 H 5.899 -1.827 3.147 1.00 . A A . 9 LEU HD11 1 1 14 2076 1 1 9 LEU HD12 H 5.583 -3.453 3.795 1.00 . A A . 9 LEU HD12 1 1 14 2077 1 1 9 LEU HD13 H 4.226 -2.353 3.458 1.00 . A A . 9 LEU HD13 1 1 14 2078 1 1 9 LEU HD21 H 7.195 -2.751 1.374 1.00 . A A . 9 LEU HD21 1 1 14 2079 1 1 9 LEU HD22 H 6.475 -3.800 0.130 1.00 . A A . 9 LEU HD22 1 1 14 2080 1 1 9 LEU HD23 H 6.882 -4.466 1.729 1.00 . A A . 9 LEU HD23 1 1 14 2081 1 1 9 LEU HG H 4.699 -2.473 1.067 1.00 . A A . 9 LEU HG 1 1 14 2082 1 1 9 LEU N N 4.067 -4.244 -0.757 1.00 . A A . 9 LEU N 1 1 14 2083 1 1 9 LEU O O 3.061 -7.330 0.095 1.00 . A A . 9 LEU O 1 1 14 2084 1 1 10 MET C C -0.025 -6.532 -0.800 1.00 . A A . 10 MET C 1 1 14 2085 1 1 10 MET CA C 0.522 -6.347 0.611 1.00 . A A . 10 MET CA 1 1 14 2086 1 1 10 MET CB C -0.526 -5.663 1.493 1.00 . A A . 10 MET CB 1 1 14 2087 1 1 10 MET CE C 2.118 -6.409 3.956 1.00 . A A . 10 MET CE 1 1 14 2088 1 1 10 MET CG C -0.444 -6.064 2.956 1.00 . A A . 10 MET CG 1 1 14 2089 1 1 10 MET H H 1.711 -4.566 0.783 1.00 . A A . 10 MET H 1 1 14 2090 1 1 10 MET HA H 0.739 -7.336 1.016 1.00 . A A . 10 MET HA 1 1 14 2091 1 1 10 MET HB2 H -0.375 -4.609 1.432 1.00 . A A . 10 MET HB2 1 1 14 2092 1 1 10 MET HB3 H -1.528 -5.898 1.121 1.00 . A A . 10 MET HB3 1 1 14 2093 1 1 10 MET HE1 H 1.757 -7.247 4.553 1.00 . A A . 10 MET HE1 1 1 14 2094 1 1 10 MET HE2 H 2.366 -6.758 2.953 1.00 . A A . 10 MET HE2 1 1 14 2095 1 1 10 MET HE3 H 3.007 -5.986 4.423 1.00 . A A . 10 MET HE3 1 1 14 2096 1 1 10 MET HG2 H -1.404 -5.865 3.436 1.00 . A A . 10 MET HG2 1 1 14 2097 1 1 10 MET HG3 H -0.236 -7.132 3.030 1.00 . A A . 10 MET HG3 1 1 14 2098 1 1 10 MET N N 1.755 -5.567 0.593 1.00 . A A . 10 MET N 1 1 14 2099 1 1 10 MET O O 0.516 -5.913 -1.702 1.00 . A A . 10 MET O 1 1 14 2100 1 1 10 MET SD S 0.835 -5.163 3.853 1.00 . A A . 10 MET SD 1 1 15 2101 1 1 1 GLY C C -6.576 3.756 -0.114 1.00 . A A . 1 GLY C 1 1 15 2102 1 1 1 GLY CA C -7.746 4.310 -0.903 1.00 . A A . 1 GLY CA 1 1 15 2103 1 1 1 GLY H1 H -6.917 6.126 -0.445 1.00 . A A . 1 GLY H1 1 1 15 2104 1 1 1 GLY H2 H -8.616 6.099 -0.412 1.00 . A A . 1 GLY H2 1 1 15 2105 1 1 1 GLY H3 H -7.790 6.102 -1.898 1.00 . A A . 1 GLY H3 1 1 15 2106 1 1 1 GLY HA2 H -8.673 3.946 -0.461 1.00 . A A . 1 GLY HA2 1 1 15 2107 1 1 1 GLY HA3 H -7.679 3.951 -1.930 1.00 . A A . 1 GLY HA3 1 1 15 2108 1 1 1 GLY N N -7.769 5.762 -0.916 1.00 . A A . 1 GLY N 1 1 15 2109 1 1 1 GLY O O -5.910 4.487 0.617 1.00 . A A . 1 GLY O 1 1 15 2110 1 1 2 ASN C C -3.918 2.553 0.222 1.00 . A A . 2 ASN C 1 1 15 2111 1 1 2 ASN CA C -5.231 1.806 0.446 1.00 . A A . 2 ASN CA 1 1 15 2112 1 1 2 ASN CB C -5.089 0.355 -0.017 1.00 . A A . 2 ASN CB 1 1 15 2113 1 1 2 ASN CG C -5.061 0.231 -1.529 1.00 . A A . 2 ASN CG 1 1 15 2114 1 1 2 ASN H H -6.917 1.906 -0.882 1.00 . A A . 2 ASN H 1 1 15 2115 1 1 2 ASN HA H -5.456 1.811 1.512 1.00 . A A . 2 ASN HA 1 1 15 2116 1 1 2 ASN HB2 H -4.178 -0.042 0.367 1.00 . A A . 2 ASN HB2 1 1 15 2117 1 1 2 ASN HB3 H -5.928 -0.226 0.367 1.00 . A A . 2 ASN HB3 1 1 15 2118 1 1 2 ASN HD21 H -3.026 0.428 -1.544 1.00 . A A . 2 ASN HD21 1 1 15 2119 1 1 2 ASN HD22 H -3.797 0.230 -3.121 1.00 . A A . 2 ASN HD22 1 1 15 2120 1 1 2 ASN N N -6.326 2.459 -0.261 1.00 . A A . 2 ASN N 1 1 15 2121 1 1 2 ASN ND2 N -3.868 0.303 -2.106 1.00 . A A . 2 ASN ND2 1 1 15 2122 1 1 2 ASN O O -3.716 3.175 -0.821 1.00 . A A . 2 ASN O 1 1 15 2123 1 1 2 ASN OD1 O -6.100 0.070 -2.169 1.00 . A A . 2 ASN OD1 1 1 15 2124 1 1 3 HIS C C -0.928 2.618 -0.056 1.00 . A A . 3 HIS C 1 1 15 2125 1 1 3 HIS CA C -1.738 3.155 1.121 1.00 . A A . 3 HIS CA 1 1 15 2126 1 1 3 HIS CB C -0.954 2.969 2.420 1.00 . A A . 3 HIS CB 1 1 15 2127 1 1 3 HIS CD2 C -2.378 4.517 3.937 1.00 . A A . 3 HIS CD2 1 1 15 2128 1 1 3 HIS CE1 C -0.743 5.617 4.899 1.00 . A A . 3 HIS CE1 1 1 15 2129 1 1 3 HIS CG C -1.215 4.038 3.437 1.00 . A A . 3 HIS CG 1 1 15 2130 1 1 3 HIS H H -3.260 1.957 2.052 1.00 . A A . 3 HIS H 1 1 15 2131 1 1 3 HIS HA H -1.909 4.220 0.964 1.00 . A A . 3 HIS HA 1 1 15 2132 1 1 3 HIS HB2 H -1.236 2.030 2.880 1.00 . A A . 3 HIS HB2 1 1 15 2133 1 1 3 HIS HB3 H 0.118 2.952 2.209 1.00 . A A . 3 HIS HB3 1 1 15 2134 1 1 3 HIS HD1 H 0.789 4.622 3.898 1.00 . A A . 3 HIS HD1 1 1 15 2135 1 1 3 HIS HD2 H -3.359 4.335 3.523 1.00 . A A . 3 HIS HD2 1 1 15 2136 1 1 3 HIS HE1 H -0.194 6.304 5.525 1.00 . A A . 3 HIS HE1 1 1 15 2137 1 1 3 HIS N N -3.031 2.487 1.211 1.00 . A A . 3 HIS N 1 1 15 2138 1 1 3 HIS ND1 N -0.211 4.748 4.058 1.00 . A A . 3 HIS ND1 1 1 15 2139 1 1 3 HIS NE2 N -2.057 5.498 4.844 1.00 . A A . 3 HIS NE2 1 1 15 2140 1 1 3 HIS O O -1.378 1.727 -0.775 1.00 . A A . 3 HIS O 1 1 15 2141 1 1 4 TRP C C 1.801 1.413 -1.018 1.00 . A A . 4 TRP C 1 1 15 2142 1 1 4 TRP CA C 1.136 2.746 -1.337 1.00 . A A . 4 TRP CA 1 1 15 2143 1 1 4 TRP CB C 2.202 3.810 -1.608 1.00 . A A . 4 TRP CB 1 1 15 2144 1 1 4 TRP CD1 C 2.981 4.811 0.619 1.00 . A A . 4 TRP CD1 1 1 15 2145 1 1 4 TRP CD2 C 4.428 3.367 -0.298 1.00 . A A . 4 TRP CD2 1 1 15 2146 1 1 4 TRP CE2 C 4.971 3.841 0.913 1.00 . A A . 4 TRP CE2 1 1 15 2147 1 1 4 TRP CE3 C 5.160 2.445 -1.049 1.00 . A A . 4 TRP CE3 1 1 15 2148 1 1 4 TRP CG C 3.154 3.999 -0.466 1.00 . A A . 4 TRP CG 1 1 15 2149 1 1 4 TRP CH2 C 6.909 2.521 0.628 1.00 . A A . 4 TRP CH2 1 1 15 2150 1 1 4 TRP CZ2 C 6.213 3.424 1.385 1.00 . A A . 4 TRP CZ2 1 1 15 2151 1 1 4 TRP CZ3 C 6.393 2.033 -0.580 1.00 . A A . 4 TRP CZ3 1 1 15 2152 1 1 4 TRP H H 0.580 3.905 0.386 1.00 . A A . 4 TRP H 1 1 15 2153 1 1 4 TRP HA H 0.533 2.622 -2.238 1.00 . A A . 4 TRP HA 1 1 15 2154 1 1 4 TRP HB2 H 2.770 3.522 -2.492 1.00 . A A . 4 TRP HB2 1 1 15 2155 1 1 4 TRP HB3 H 1.701 4.759 -1.805 1.00 . A A . 4 TRP HB3 1 1 15 2156 1 1 4 TRP HD1 H 2.117 5.434 0.795 1.00 . A A . 4 TRP HD1 1 1 15 2157 1 1 4 TRP HE1 H 4.199 5.222 2.332 1.00 . A A . 4 TRP HE1 1 1 15 2158 1 1 4 TRP HE3 H 4.767 2.065 -1.980 1.00 . A A . 4 TRP HE3 1 1 15 2159 1 1 4 TRP HH2 H 7.875 2.182 0.970 1.00 . A A . 4 TRP HH2 1 1 15 2160 1 1 4 TRP HZ2 H 6.614 3.799 2.315 1.00 . A A . 4 TRP HZ2 1 1 15 2161 1 1 4 TRP HZ3 H 6.964 1.321 -1.158 1.00 . A A . 4 TRP HZ3 1 1 15 2162 1 1 4 TRP N N 0.265 3.169 -0.246 1.00 . A A . 4 TRP N 1 1 15 2163 1 1 4 TRP NE1 N 4.070 4.722 1.452 1.00 . A A . 4 TRP NE1 1 1 15 2164 1 1 4 TRP O O 1.940 0.553 -1.888 1.00 . A A . 4 TRP O 1 1 15 2165 1 1 5 ALA C C 1.897 -1.168 0.596 1.00 . A A . 5 ALA C 1 1 15 2166 1 1 5 ALA CA C 2.858 0.014 0.670 1.00 . A A . 5 ALA CA 1 1 15 2167 1 1 5 ALA CB C 3.396 0.171 2.085 1.00 . A A . 5 ALA CB 1 1 15 2168 1 1 5 ALA H H 2.063 1.994 0.913 1.00 . A A . 5 ALA H 1 1 15 2169 1 1 5 ALA HA H 3.695 -0.182 -0.002 1.00 . A A . 5 ALA HA 1 1 15 2170 1 1 5 ALA HB1 H 3.505 1.236 2.294 1.00 . A A . 5 ALA HB1 1 1 15 2171 1 1 5 ALA HB2 H 4.365 -0.300 2.175 1.00 . A A . 5 ALA HB2 1 1 15 2172 1 1 5 ALA HB3 H 2.703 -0.258 2.810 1.00 . A A . 5 ALA HB3 1 1 15 2173 1 1 5 ALA N N 2.210 1.245 0.236 1.00 . A A . 5 ALA N 1 1 15 2174 1 1 5 ALA O O 2.317 -2.325 0.628 1.00 . A A . 5 ALA O 1 1 15 2175 1 1 6 VAL C C -0.333 -2.659 -0.906 1.00 . A A . 6 VAL C 1 1 15 2176 1 1 6 VAL CA C -0.415 -1.908 0.419 1.00 . A A . 6 VAL CA 1 1 15 2177 1 1 6 VAL CB C -1.829 -1.317 0.575 1.00 . A A . 6 VAL CB 1 1 15 2178 1 1 6 VAL CG1 C -2.847 -2.424 0.805 1.00 . A A . 6 VAL CG1 1 1 15 2179 1 1 6 VAL CG2 C -1.861 -0.306 1.711 1.00 . A A . 6 VAL CG2 1 1 15 2180 1 1 6 VAL H H 0.322 0.110 0.475 1.00 . A A . 6 VAL H 1 1 15 2181 1 1 6 VAL HA H -0.242 -2.584 1.233 1.00 . A A . 6 VAL HA 1 1 15 2182 1 1 6 VAL HB H -2.090 -0.801 -0.354 1.00 . A A . 6 VAL HB 1 1 15 2183 1 1 6 VAL HG11 H -2.443 -3.139 1.515 1.00 . A A . 6 VAL HG11 1 1 15 2184 1 1 6 VAL HG12 H -3.051 -2.935 -0.135 1.00 . A A . 6 VAL HG12 1 1 15 2185 1 1 6 VAL HG13 H -3.777 -2.028 1.201 1.00 . A A . 6 VAL HG13 1 1 15 2186 1 1 6 VAL HG21 H -1.409 0.596 1.362 1.00 . A A . 6 VAL HG21 1 1 15 2187 1 1 6 VAL HG22 H -1.277 -0.698 2.546 1.00 . A A . 6 VAL HG22 1 1 15 2188 1 1 6 VAL HG23 H -2.869 -0.105 2.054 1.00 . A A . 6 VAL HG23 1 1 15 2189 1 1 6 VAL N N 0.606 -0.869 0.497 1.00 . A A . 6 VAL N 1 1 15 2190 1 1 6 VAL O O -0.762 -3.807 -1.007 1.00 . A A . 6 VAL O 1 1 15 2191 1 1 7 GLY C C 1.622 -3.433 -3.359 1.00 . A A . 7 GLY C 1 1 15 2192 1 1 7 GLY CA C 0.349 -2.622 -3.225 1.00 . A A . 7 GLY CA 1 1 15 2193 1 1 7 GLY H H 0.557 -1.048 -1.780 1.00 . A A . 7 GLY H 1 1 15 2194 1 1 7 GLY HA2 H -0.507 -3.275 -3.407 1.00 . A A . 7 GLY HA2 1 1 15 2195 1 1 7 GLY HA3 H 0.357 -1.837 -3.982 1.00 . A A . 7 GLY HA3 1 1 15 2196 1 1 7 GLY N N 0.220 -2.001 -1.920 1.00 . A A . 7 GLY N 1 1 15 2197 1 1 7 GLY O O 1.596 -4.574 -3.821 1.00 . A A . 7 GLY O 1 1 15 2198 1 1 8 HIS C C 4.141 -4.610 -1.973 1.00 . A A . 8 HIS C 1 1 15 2199 1 1 8 HIS CA C 4.033 -3.517 -3.032 1.00 . A A . 8 HIS CA 1 1 15 2200 1 1 8 HIS CB C 5.171 -2.510 -2.858 1.00 . A A . 8 HIS CB 1 1 15 2201 1 1 8 HIS CD2 C 4.830 -1.319 -5.137 1.00 . A A . 8 HIS CD2 1 1 15 2202 1 1 8 HIS CE1 C 6.937 -1.026 -5.664 1.00 . A A . 8 HIS CE1 1 1 15 2203 1 1 8 HIS CG C 5.576 -1.838 -4.134 1.00 . A A . 8 HIS CG 1 1 15 2204 1 1 8 HIS H H 2.702 -1.892 -2.583 1.00 . A A . 8 HIS H 1 1 15 2205 1 1 8 HIS HA H 4.125 -3.980 -4.015 1.00 . A A . 8 HIS HA 1 1 15 2206 1 1 8 HIS HB2 H 4.848 -1.743 -2.155 1.00 . A A . 8 HIS HB2 1 1 15 2207 1 1 8 HIS HB3 H 6.048 -3.017 -2.445 1.00 . A A . 8 HIS HB3 1 1 15 2208 1 1 8 HIS HD1 H 7.705 -1.920 -3.947 1.00 . A A . 8 HIS HD1 1 1 15 2209 1 1 8 HIS HD2 H 3.770 -1.118 -5.089 1.00 . A A . 8 HIS HD2 1 1 15 2210 1 1 8 HIS HE1 H 7.835 -0.742 -6.192 1.00 . A A . 8 HIS HE1 1 1 15 2211 1 1 8 HIS N N 2.744 -2.842 -2.954 1.00 . A A . 8 HIS N 1 1 15 2212 1 1 8 HIS ND1 N 6.892 -1.639 -4.495 1.00 . A A . 8 HIS ND1 1 1 15 2213 1 1 8 HIS NE2 N 5.699 -0.821 -6.075 1.00 . A A . 8 HIS NE2 1 1 15 2214 1 1 8 HIS O O 4.224 -5.796 -2.296 1.00 . A A . 8 HIS O 1 1 15 2215 1 1 9 LEU C C 3.190 -6.252 0.267 1.00 . A A . 9 LEU C 1 1 15 2216 1 1 9 LEU CA C 4.234 -5.149 0.398 1.00 . A A . 9 LEU CA 1 1 15 2217 1 1 9 LEU CB C 4.057 -4.421 1.733 1.00 . A A . 9 LEU CB 1 1 15 2218 1 1 9 LEU CD1 C 4.691 -2.585 3.317 1.00 . A A . 9 LEU CD1 1 1 15 2219 1 1 9 LEU CD2 C 6.352 -3.417 1.643 1.00 . A A . 9 LEU CD2 1 1 15 2220 1 1 9 LEU CG C 4.880 -3.145 1.917 1.00 . A A . 9 LEU CG 1 1 15 2221 1 1 9 LEU H H 4.069 -3.205 -0.508 1.00 . A A . 9 LEU H 1 1 15 2222 1 1 9 LEU HA H 5.223 -5.604 0.381 1.00 . A A . 9 LEU HA 1 1 15 2223 1 1 9 LEU HB2 H 3.006 -4.173 1.856 1.00 . A A . 9 LEU HB2 1 1 15 2224 1 1 9 LEU HB3 H 4.338 -5.117 2.526 1.00 . A A . 9 LEU HB3 1 1 15 2225 1 1 9 LEU HD11 H 4.855 -3.387 4.037 1.00 . A A . 9 LEU HD11 1 1 15 2226 1 1 9 LEU HD12 H 3.681 -2.207 3.432 1.00 . A A . 9 LEU HD12 1 1 15 2227 1 1 9 LEU HD13 H 5.409 -1.789 3.505 1.00 . A A . 9 LEU HD13 1 1 15 2228 1 1 9 LEU HD21 H 6.946 -2.549 1.925 1.00 . A A . 9 LEU HD21 1 1 15 2229 1 1 9 LEU HD22 H 6.500 -3.625 0.583 1.00 . A A . 9 LEU HD22 1 1 15 2230 1 1 9 LEU HD23 H 6.667 -4.279 2.230 1.00 . A A . 9 LEU HD23 1 1 15 2231 1 1 9 LEU HG H 4.532 -2.407 1.201 1.00 . A A . 9 LEU HG 1 1 15 2232 1 1 9 LEU N N 4.137 -4.204 -0.708 1.00 . A A . 9 LEU N 1 1 15 2233 1 1 9 LEU O O 3.525 -7.412 0.031 1.00 . A A . 9 LEU O 1 1 15 2234 1 1 10 MET C C 0.063 -6.648 -0.994 1.00 . A A . 10 MET C 1 1 15 2235 1 1 10 MET CA C 0.828 -6.841 0.311 1.00 . A A . 10 MET CA 1 1 15 2236 1 1 10 MET CB C -0.123 -6.696 1.499 1.00 . A A . 10 MET CB 1 1 15 2237 1 1 10 MET CE C -0.315 -4.116 4.062 1.00 . A A . 10 MET CE 1 1 15 2238 1 1 10 MET CG C -0.759 -5.318 1.606 1.00 . A A . 10 MET CG 1 1 15 2239 1 1 10 MET H H 1.709 -4.901 0.610 1.00 . A A . 10 MET H 1 1 15 2240 1 1 10 MET HA H 1.231 -7.857 0.317 1.00 . A A . 10 MET HA 1 1 15 2241 1 1 10 MET HB2 H -0.922 -7.429 1.398 1.00 . A A . 10 MET HB2 1 1 15 2242 1 1 10 MET HB3 H 0.430 -6.900 2.417 1.00 . A A . 10 MET HB3 1 1 15 2243 1 1 10 MET HE1 H -0.121 -3.187 3.525 1.00 . A A . 10 MET HE1 1 1 15 2244 1 1 10 MET HE2 H -0.658 -3.887 5.071 1.00 . A A . 10 MET HE2 1 1 15 2245 1 1 10 MET HE3 H 0.601 -4.703 4.115 1.00 . A A . 10 MET HE3 1 1 15 2246 1 1 10 MET HG2 H 0.043 -4.607 1.504 1.00 . A A . 10 MET HG2 1 1 15 2247 1 1 10 MET HG3 H -1.474 -5.184 0.794 1.00 . A A . 10 MET HG3 1 1 15 2248 1 1 10 MET N N 1.922 -5.881 0.417 1.00 . A A . 10 MET N 1 1 15 2249 1 1 10 MET O O -0.999 -7.232 -1.128 1.00 . A A . 10 MET O 1 1 15 2250 1 1 10 MET SD S -1.572 -5.049 3.192 1.00 . A A . 10 MET SD 1 1 16 2251 1 1 1 GLY C C -6.606 2.839 2.139 1.00 . A A . 1 GLY C 1 1 16 2252 1 1 1 GLY CA C -7.712 3.817 2.481 1.00 . A A . 1 GLY CA 1 1 16 2253 1 1 1 GLY H1 H -7.903 5.821 2.871 1.00 . A A . 1 GLY H1 1 1 16 2254 1 1 1 GLY H2 H -6.319 5.318 2.516 1.00 . A A . 1 GLY H2 1 1 16 2255 1 1 1 GLY H3 H -7.011 4.962 4.028 1.00 . A A . 1 GLY H3 1 1 16 2256 1 1 1 GLY HA2 H -8.369 3.362 3.221 1.00 . A A . 1 GLY HA2 1 1 16 2257 1 1 1 GLY HA3 H -8.288 4.027 1.579 1.00 . A A . 1 GLY HA3 1 1 16 2258 1 1 1 GLY N N -7.201 5.068 3.012 1.00 . A A . 1 GLY N 1 1 16 2259 1 1 1 GLY O O -6.054 2.183 3.022 1.00 . A A . 1 GLY O 1 1 16 2260 1 1 2 ASN C C -3.926 2.577 0.178 1.00 . A A . 2 ASN C 1 1 16 2261 1 1 2 ASN CA C -5.237 1.830 0.397 1.00 . A A . 2 ASN CA 1 1 16 2262 1 1 2 ASN CB C -5.665 1.136 -0.898 1.00 . A A . 2 ASN CB 1 1 16 2263 1 1 2 ASN CG C -6.926 0.313 -0.724 1.00 . A A . 2 ASN CG 1 1 16 2264 1 1 2 ASN H H -6.782 3.306 0.167 1.00 . A A . 2 ASN H 1 1 16 2265 1 1 2 ASN HA H -5.072 1.057 1.152 1.00 . A A . 2 ASN HA 1 1 16 2266 1 1 2 ASN HB2 H -5.839 1.897 -1.658 1.00 . A A . 2 ASN HB2 1 1 16 2267 1 1 2 ASN HB3 H -4.858 0.482 -1.230 1.00 . A A . 2 ASN HB3 1 1 16 2268 1 1 2 ASN HD21 H -7.394 0.540 -2.702 1.00 . A A . 2 ASN HD21 1 1 16 2269 1 1 2 ASN HD22 H -8.533 -0.408 -1.740 1.00 . A A . 2 ASN HD22 1 1 16 2270 1 1 2 ASN N N -6.284 2.738 0.853 1.00 . A A . 2 ASN N 1 1 16 2271 1 1 2 ASN ND2 N -7.673 0.137 -1.808 1.00 . A A . 2 ASN ND2 1 1 16 2272 1 1 2 ASN O O -3.721 3.202 -0.864 1.00 . A A . 2 ASN O 1 1 16 2273 1 1 2 ASN OD1 O -7.226 -0.160 0.372 1.00 . A A . 2 ASN OD1 1 1 16 2274 1 1 3 HIS C C -0.925 2.628 -0.081 1.00 . A A . 3 HIS C 1 1 16 2275 1 1 3 HIS CA C -1.746 3.178 1.081 1.00 . A A . 3 HIS CA 1 1 16 2276 1 1 3 HIS CB C -0.974 3.010 2.390 1.00 . A A . 3 HIS CB 1 1 16 2277 1 1 3 HIS CD2 C -2.219 4.160 4.354 1.00 . A A . 3 HIS CD2 1 1 16 2278 1 1 3 HIS CE1 C -1.014 5.988 4.470 1.00 . A A . 3 HIS CE1 1 1 16 2279 1 1 3 HIS CG C -1.264 4.080 3.397 1.00 . A A . 3 HIS CG 1 1 16 2280 1 1 3 HIS H H -3.267 1.973 2.003 1.00 . A A . 3 HIS H 1 1 16 2281 1 1 3 HIS HA H -1.916 4.241 0.907 1.00 . A A . 3 HIS HA 1 1 16 2282 1 1 3 HIS HB2 H -1.251 2.071 2.851 1.00 . A A . 3 HIS HB2 1 1 16 2283 1 1 3 HIS HB3 H 0.101 3.007 2.192 1.00 . A A . 3 HIS HB3 1 1 16 2284 1 1 3 HIS HD1 H 0.272 5.486 2.911 1.00 . A A . 3 HIS HD1 1 1 16 2285 1 1 3 HIS HD2 H -2.830 3.337 4.696 1.00 . A A . 3 HIS HD2 1 1 16 2286 1 1 3 HIS HE1 H -0.634 6.951 4.775 1.00 . A A . 3 HIS HE1 1 1 16 2287 1 1 3 HIS N N -3.039 2.509 1.166 1.00 . A A . 3 HIS N 1 1 16 2288 1 1 3 HIS ND1 N -0.527 5.241 3.496 1.00 . A A . 3 HIS ND1 1 1 16 2289 1 1 3 HIS NE2 N -2.042 5.355 5.006 1.00 . A A . 3 HIS NE2 1 1 16 2290 1 1 3 HIS O O -1.372 1.735 -0.801 1.00 . A A . 3 HIS O 1 1 16 2291 1 1 4 TRP C C 1.814 1.398 -0.994 1.00 . A A . 4 TRP C 1 1 16 2292 1 1 4 TRP CA C 1.158 2.731 -1.336 1.00 . A A . 4 TRP CA 1 1 16 2293 1 1 4 TRP CB C 2.230 3.788 -1.604 1.00 . A A . 4 TRP CB 1 1 16 2294 1 1 4 TRP CD1 C 3.001 4.793 0.624 1.00 . A A . 4 TRP CD1 1 1 16 2295 1 1 4 TRP CD2 C 4.447 3.341 -0.280 1.00 . A A . 4 TRP CD2 1 1 16 2296 1 1 4 TRP CE2 C 4.986 3.817 0.932 1.00 . A A . 4 TRP CE2 1 1 16 2297 1 1 4 TRP CE3 C 5.180 2.414 -1.024 1.00 . A A . 4 TRP CE3 1 1 16 2298 1 1 4 TRP CG C 3.177 3.978 -0.457 1.00 . A A . 4 TRP CG 1 1 16 2299 1 1 4 TRP CH2 C 6.920 2.488 0.661 1.00 . A A . 4 TRP CH2 1 1 16 2300 1 1 4 TRP CZ2 C 6.223 3.396 1.412 1.00 . A A . 4 TRP CZ2 1 1 16 2301 1 1 4 TRP CZ3 C 6.408 1.998 -0.548 1.00 . A A . 4 TRP CZ3 1 1 16 2302 1 1 4 TRP H H 0.585 3.906 0.371 1.00 . A A . 4 TRP H 1 1 16 2303 1 1 4 TRP HA H 0.565 2.601 -2.242 1.00 . A A . 4 TRP HA 1 1 16 2304 1 1 4 TRP HB2 H 2.803 3.494 -2.483 1.00 . A A . 4 TRP HB2 1 1 16 2305 1 1 4 TRP HB3 H 1.735 4.738 -1.810 1.00 . A A . 4 TRP HB3 1 1 16 2306 1 1 4 TRP HD1 H 2.137 5.419 0.794 1.00 . A A . 4 TRP HD1 1 1 16 2307 1 1 4 TRP HE1 H 4.211 5.204 2.343 1.00 . A A . 4 TRP HE1 1 1 16 2308 1 1 4 TRP HE3 H 4.789 2.035 -1.957 1.00 . A A . 4 TRP HE3 1 1 16 2309 1 1 4 TRP HH2 H 7.882 2.144 1.009 1.00 . A A . 4 TRP HH2 1 1 16 2310 1 1 4 TRP HZ2 H 6.620 3.772 2.343 1.00 . A A . 4 TRP HZ2 1 1 16 2311 1 1 4 TRP HZ3 H 6.979 1.281 -1.121 1.00 . A A . 4 TRP HZ3 1 1 16 2312 1 1 4 TRP N N 0.274 3.167 -0.259 1.00 . A A . 4 TRP N 1 1 16 2313 1 1 4 TRP NE1 N 4.085 4.701 1.464 1.00 . A A . 4 TRP NE1 1 1 16 2314 1 1 4 TRP O O 1.965 0.532 -1.855 1.00 . A A . 4 TRP O 1 1 16 2315 1 1 5 ALA C C 1.875 -1.168 0.648 1.00 . A A . 5 ALA C 1 1 16 2316 1 1 5 ALA CA C 2.839 0.011 0.723 1.00 . A A . 5 ALA CA 1 1 16 2317 1 1 5 ALA CB C 3.360 0.180 2.141 1.00 . A A . 5 ALA CB 1 1 16 2318 1 1 5 ALA H H 2.046 1.996 0.936 1.00 . A A . 5 ALA H 1 1 16 2319 1 1 5 ALA HA H 3.682 -0.196 0.060 1.00 . A A . 5 ALA HA 1 1 16 2320 1 1 5 ALA HB1 H 3.416 1.245 2.366 1.00 . A A . 5 ALA HB1 1 1 16 2321 1 1 5 ALA HB2 H 4.355 -0.248 2.226 1.00 . A A . 5 ALA HB2 1 1 16 2322 1 1 5 ALA HB3 H 2.691 -0.298 2.860 1.00 . A A . 5 ALA HB3 1 1 16 2323 1 1 5 ALA N N 2.201 1.240 0.268 1.00 . A A . 5 ALA N 1 1 16 2324 1 1 5 ALA O O 2.290 -2.327 0.695 1.00 . A A . 5 ALA O 1 1 16 2325 1 1 6 VAL C C -0.345 -2.663 -0.869 1.00 . A A . 6 VAL C 1 1 16 2326 1 1 6 VAL CA C -0.438 -1.902 0.449 1.00 . A A . 6 VAL CA 1 1 16 2327 1 1 6 VAL CB C -1.851 -1.306 0.586 1.00 . A A . 6 VAL CB 1 1 16 2328 1 1 6 VAL CG1 C -2.875 -2.406 0.817 1.00 . A A . 6 VAL CG1 1 1 16 2329 1 1 6 VAL CG2 C -1.890 -0.284 1.713 1.00 . A A . 6 VAL CG2 1 1 16 2330 1 1 6 VAL H H 0.307 0.115 0.495 1.00 . A A . 6 VAL H 1 1 16 2331 1 1 6 VAL HA H -0.285 -2.603 1.267 1.00 . A A . 6 VAL HA 1 1 16 2332 1 1 6 VAL HB H -2.103 -0.799 -0.348 1.00 . A A . 6 VAL HB 1 1 16 2333 1 1 6 VAL HG11 H -2.848 -3.116 -0.009 1.00 . A A . 6 VAL HG11 1 1 16 2334 1 1 6 VAL HG12 H -3.871 -1.969 0.888 1.00 . A A . 6 VAL HG12 1 1 16 2335 1 1 6 VAL HG13 H -2.638 -2.923 1.747 1.00 . A A . 6 VAL HG13 1 1 16 2336 1 1 6 VAL HG21 H -1.184 0.500 1.474 1.00 . A A . 6 VAL HG21 1 1 16 2337 1 1 6 VAL HG22 H -1.605 -0.765 2.649 1.00 . A A . 6 VAL HG22 1 1 16 2338 1 1 6 VAL HG23 H -2.892 0.136 1.802 1.00 . A A . 6 VAL HG23 1 1 16 2339 1 1 6 VAL N N 0.586 -0.866 0.531 1.00 . A A . 6 VAL N 1 1 16 2340 1 1 6 VAL O O -0.772 -3.813 -0.964 1.00 . A A . 6 VAL O 1 1 16 2341 1 1 7 GLY C C 1.631 -3.460 -3.298 1.00 . A A . 7 GLY C 1 1 16 2342 1 1 7 GLY CA C 0.357 -2.645 -3.183 1.00 . A A . 7 GLY CA 1 1 16 2343 1 1 7 GLY H H 0.557 -1.061 -1.746 1.00 . A A . 7 GLY H 1 1 16 2344 1 1 7 GLY HA2 H -0.499 -3.297 -3.369 1.00 . A A . 7 GLY HA2 1 1 16 2345 1 1 7 GLY HA3 H 0.374 -1.866 -3.946 1.00 . A A . 7 GLY HA3 1 1 16 2346 1 1 7 GLY N N 0.219 -2.014 -1.883 1.00 . A A . 7 GLY N 1 1 16 2347 1 1 7 GLY O O 1.589 -4.649 -3.617 1.00 . A A . 7 GLY O 1 1 16 2348 1 1 8 HIS C C 4.151 -4.611 -2.083 1.00 . A A . 8 HIS C 1 1 16 2349 1 1 8 HIS CA C 4.058 -3.493 -3.117 1.00 . A A . 8 HIS CA 1 1 16 2350 1 1 8 HIS CB C 5.193 -2.491 -2.903 1.00 . A A . 8 HIS CB 1 1 16 2351 1 1 8 HIS CD2 C 4.797 -1.272 -5.159 1.00 . A A . 8 HIS CD2 1 1 16 2352 1 1 8 HIS CE1 C 6.873 -0.712 -5.589 1.00 . A A . 8 HIS CE1 1 1 16 2353 1 1 8 HIS CG C 5.562 -1.732 -4.141 1.00 . A A . 8 HIS CG 1 1 16 2354 1 1 8 HIS H H 2.734 -1.833 -2.784 1.00 . A A . 8 HIS H 1 1 16 2355 1 1 8 HIS HA H 4.164 -3.932 -4.109 1.00 . A A . 8 HIS HA 1 1 16 2356 1 1 8 HIS HB2 H 4.886 -1.776 -2.142 1.00 . A A . 8 HIS HB2 1 1 16 2357 1 1 8 HIS HB3 H 6.082 -3.021 -2.548 1.00 . A A . 8 HIS HB3 1 1 16 2358 1 1 8 HIS HD1 H 7.678 -1.567 -3.870 1.00 . A A . 8 HIS HD1 1 1 16 2359 1 1 8 HIS HD2 H 3.774 -1.558 -5.354 1.00 . A A . 8 HIS HD2 1 1 16 2360 1 1 8 HIS HE1 H 7.751 -0.305 -6.070 1.00 . A A . 8 HIS HE1 1 1 16 2361 1 1 8 HIS N N 2.766 -2.820 -3.039 1.00 . A A . 8 HIS N 1 1 16 2362 1 1 8 HIS ND1 N 6.858 -1.366 -4.442 1.00 . A A . 8 HIS ND1 1 1 16 2363 1 1 8 HIS NE2 N 5.636 -0.641 -6.045 1.00 . A A . 8 HIS NE2 1 1 16 2364 1 1 8 HIS O O 4.350 -5.776 -2.429 1.00 . A A . 8 HIS O 1 1 16 2365 1 1 9 LEU C C 2.911 -6.206 0.196 1.00 . A A . 9 LEU C 1 1 16 2366 1 1 9 LEU CA C 4.074 -5.222 0.273 1.00 . A A . 9 LEU CA 1 1 16 2367 1 1 9 LEU CB C 4.063 -4.508 1.626 1.00 . A A . 9 LEU CB 1 1 16 2368 1 1 9 LEU CD1 C 4.850 -2.662 3.128 1.00 . A A . 9 LEU CD1 1 1 16 2369 1 1 9 LEU CD2 C 6.377 -3.578 1.371 1.00 . A A . 9 LEU CD2 1 1 16 2370 1 1 9 LEU CG C 4.935 -3.256 1.730 1.00 . A A . 9 LEU CG 1 1 16 2371 1 1 9 LEU H H 3.848 -3.266 -0.591 1.00 . A A . 9 LEU H 1 1 16 2372 1 1 9 LEU HA H 5.007 -5.778 0.181 1.00 . A A . 9 LEU HA 1 1 16 2373 1 1 9 LEU HB2 H 3.038 -4.225 1.863 1.00 . A A . 9 LEU HB2 1 1 16 2374 1 1 9 LEU HB3 H 4.406 -5.216 2.383 1.00 . A A . 9 LEU HB3 1 1 16 2375 1 1 9 LEU HD11 H 3.856 -2.256 3.301 1.00 . A A . 9 LEU HD11 1 1 16 2376 1 1 9 LEU HD12 H 5.598 -1.879 3.246 1.00 . A A . 9 LEU HD12 1 1 16 2377 1 1 9 LEU HD13 H 5.044 -3.453 3.852 1.00 . A A . 9 LEU HD13 1 1 16 2378 1 1 9 LEU HD21 H 6.440 -3.886 0.328 1.00 . A A . 9 LEU HD21 1 1 16 2379 1 1 9 LEU HD22 H 6.727 -4.387 2.012 1.00 . A A . 9 LEU HD22 1 1 16 2380 1 1 9 LEU HD23 H 6.998 -2.696 1.525 1.00 . A A . 9 LEU HD23 1 1 16 2381 1 1 9 LEU HG H 4.564 -2.517 1.022 1.00 . A A . 9 LEU HG 1 1 16 2382 1 1 9 LEU N N 4.006 -4.249 -0.813 1.00 . A A . 9 LEU N 1 1 16 2383 1 1 9 LEU O O 3.106 -7.393 -0.068 1.00 . A A . 9 LEU O 1 1 16 2384 1 1 10 MET C C -0.105 -6.534 -1.020 1.00 . A A . 10 MET C 1 1 16 2385 1 1 10 MET CA C 0.507 -6.540 0.376 1.00 . A A . 10 MET CA 1 1 16 2386 1 1 10 MET CB C -0.521 -6.054 1.400 1.00 . A A . 10 MET CB 1 1 16 2387 1 1 10 MET CE C -0.154 -4.195 4.015 1.00 . A A . 10 MET CE 1 1 16 2388 1 1 10 MET CG C -0.344 -6.668 2.779 1.00 . A A . 10 MET CG 1 1 16 2389 1 1 10 MET H H 1.605 -4.712 0.637 1.00 . A A . 10 MET H 1 1 16 2390 1 1 10 MET HA H 0.780 -7.569 0.612 1.00 . A A . 10 MET HA 1 1 16 2391 1 1 10 MET HB2 H -0.417 -4.974 1.496 1.00 . A A . 10 MET HB2 1 1 16 2392 1 1 10 MET HB3 H -1.531 -6.275 1.037 1.00 . A A . 10 MET HB3 1 1 16 2393 1 1 10 MET HE1 H -0.164 -3.905 5.065 1.00 . A A . 10 MET HE1 1 1 16 2394 1 1 10 MET HE2 H 0.310 -3.405 3.426 1.00 . A A . 10 MET HE2 1 1 16 2395 1 1 10 MET HE3 H -1.177 -4.351 3.672 1.00 . A A . 10 MET HE3 1 1 16 2396 1 1 10 MET HG2 H -1.313 -6.701 3.280 1.00 . A A . 10 MET HG2 1 1 16 2397 1 1 10 MET HG3 H 0.029 -7.687 2.688 1.00 . A A . 10 MET HG3 1 1 16 2398 1 1 10 MET N N 1.702 -5.705 0.424 1.00 . A A . 10 MET N 1 1 16 2399 1 1 10 MET O O 0.351 -5.747 -1.834 1.00 . A A . 10 MET O 1 1 16 2400 1 1 10 MET SD S 0.774 -5.715 3.825 1.00 . A A . 10 MET SD 1 1 17 2401 1 1 1 GLY C C -6.401 0.799 3.642 1.00 . A A . 1 GLY C 1 1 17 2402 1 1 1 GLY CA C -6.937 0.859 5.058 1.00 . A A . 1 GLY CA 1 1 17 2403 1 1 1 GLY H1 H -8.715 0.347 4.183 1.00 . A A . 1 GLY H1 1 1 17 2404 1 1 1 GLY H2 H -8.870 1.232 5.625 1.00 . A A . 1 GLY H2 1 1 17 2405 1 1 1 GLY H3 H -8.425 -0.407 5.672 1.00 . A A . 1 GLY H3 1 1 17 2406 1 1 1 GLY HA2 H -6.825 1.875 5.433 1.00 . A A . 1 GLY HA2 1 1 17 2407 1 1 1 GLY HA3 H -6.353 0.185 5.684 1.00 . A A . 1 GLY HA3 1 1 17 2408 1 1 1 GLY N N -8.335 0.481 5.141 1.00 . A A . 1 GLY N 1 1 17 2409 1 1 1 GLY O O -6.495 -0.233 2.980 1.00 . A A . 1 GLY O 1 1 17 2410 1 1 2 ASN C C -4.054 2.874 1.788 1.00 . A A . 2 ASN C 1 1 17 2411 1 1 2 ASN CA C -5.290 1.980 1.826 1.00 . A A . 2 ASN CA 1 1 17 2412 1 1 2 ASN CB C -6.344 2.506 0.850 1.00 . A A . 2 ASN CB 1 1 17 2413 1 1 2 ASN CG C -5.740 2.948 -0.469 1.00 . A A . 2 ASN CG 1 1 17 2414 1 1 2 ASN H H -5.792 2.734 3.775 1.00 . A A . 2 ASN H 1 1 17 2415 1 1 2 ASN HA H -4.994 0.978 1.506 1.00 . A A . 2 ASN HA 1 1 17 2416 1 1 2 ASN HB2 H -7.067 1.715 0.653 1.00 . A A . 2 ASN HB2 1 1 17 2417 1 1 2 ASN HB3 H -6.858 3.350 1.310 1.00 . A A . 2 ASN HB3 1 1 17 2418 1 1 2 ASN HD21 H -5.614 4.880 0.191 1.00 . A A . 2 ASN HD21 1 1 17 2419 1 1 2 ASN HD22 H -5.024 4.580 -1.448 1.00 . A A . 2 ASN HD22 1 1 17 2420 1 1 2 ASN N N -5.840 1.910 3.175 1.00 . A A . 2 ASN N 1 1 17 2421 1 1 2 ASN ND2 N -5.437 4.236 -0.580 1.00 . A A . 2 ASN ND2 1 1 17 2422 1 1 2 ASN O O -4.026 3.940 2.404 1.00 . A A . 2 ASN O 1 1 17 2423 1 1 2 ASN OD1 O -5.549 2.139 -1.378 1.00 . A A . 2 ASN OD1 1 1 17 2424 1 1 3 HIS C C -0.931 2.650 -0.195 1.00 . A A . 3 HIS C 1 1 17 2425 1 1 3 HIS CA C -1.794 3.193 0.941 1.00 . A A . 3 HIS CA 1 1 17 2426 1 1 3 HIS CB C -1.015 3.148 2.256 1.00 . A A . 3 HIS CB 1 1 17 2427 1 1 3 HIS CD2 C -0.845 5.728 2.460 1.00 . A A . 3 HIS CD2 1 1 17 2428 1 1 3 HIS CE1 C 1.096 5.843 3.472 1.00 . A A . 3 HIS CE1 1 1 17 2429 1 1 3 HIS CG C -0.402 4.461 2.633 1.00 . A A . 3 HIS CG 1 1 17 2430 1 1 3 HIS H H -3.120 1.541 0.572 1.00 . A A . 3 HIS H 1 1 17 2431 1 1 3 HIS HA H -2.053 4.224 0.710 1.00 . A A . 3 HIS HA 1 1 17 2432 1 1 3 HIS HB2 H -1.698 2.855 3.050 1.00 . A A . 3 HIS HB2 1 1 17 2433 1 1 3 HIS HB3 H -0.214 2.406 2.195 1.00 . A A . 3 HIS HB3 1 1 17 2434 1 1 3 HIS HD1 H 1.413 3.786 3.542 1.00 . A A . 3 HIS HD1 1 1 17 2435 1 1 3 HIS HD2 H -1.866 6.003 2.240 1.00 . A A . 3 HIS HD2 1 1 17 2436 1 1 3 HIS HE1 H 1.985 6.224 3.951 1.00 . A A . 3 HIS HE1 1 1 17 2437 1 1 3 HIS N N -3.033 2.432 1.061 1.00 . A A . 3 HIS N 1 1 17 2438 1 1 3 HIS ND1 N 0.818 4.568 3.269 1.00 . A A . 3 HIS ND1 1 1 17 2439 1 1 3 HIS NE2 N 0.103 6.568 2.990 1.00 . A A . 3 HIS NE2 1 1 17 2440 1 1 3 HIS O O -1.374 1.807 -0.975 1.00 . A A . 3 HIS O 1 1 17 2441 1 1 4 TRP C C 1.874 1.375 -0.950 1.00 . A A . 4 TRP C 1 1 17 2442 1 1 4 TRP CA C 1.225 2.703 -1.321 1.00 . A A . 4 TRP CA 1 1 17 2443 1 1 4 TRP CB C 2.301 3.765 -1.552 1.00 . A A . 4 TRP CB 1 1 17 2444 1 1 4 TRP CD1 C 3.000 4.776 0.697 1.00 . A A . 4 TRP CD1 1 1 17 2445 1 1 4 TRP CD2 C 4.471 3.317 -0.153 1.00 . A A . 4 TRP CD2 1 1 17 2446 1 1 4 TRP CE2 C 4.971 3.796 1.073 1.00 . A A . 4 TRP CE2 1 1 17 2447 1 1 4 TRP CE3 C 5.225 2.385 -0.871 1.00 . A A . 4 TRP CE3 1 1 17 2448 1 1 4 TRP CG C 3.210 3.956 -0.376 1.00 . A A . 4 TRP CG 1 1 17 2449 1 1 4 TRP CH2 C 6.908 2.460 0.872 1.00 . A A . 4 TRP CH2 1 1 17 2450 1 1 4 TRP CZ2 C 6.190 3.373 1.596 1.00 . A A . 4 TRP CZ2 1 1 17 2451 1 1 4 TRP CZ3 C 6.436 1.967 -0.351 1.00 . A A . 4 TRP CZ3 1 1 17 2452 1 1 4 TRP H H 0.605 3.837 0.398 1.00 . A A . 4 TRP H 1 1 17 2453 1 1 4 TRP HA H 0.670 2.567 -2.251 1.00 . A A . 4 TRP HA 1 1 17 2454 1 1 4 TRP HB2 H 2.902 3.477 -2.413 1.00 . A A . 4 TRP HB2 1 1 17 2455 1 1 4 TRP HB3 H 1.808 4.713 -1.771 1.00 . A A . 4 TRP HB3 1 1 17 2456 1 1 4 TRP HD1 H 2.133 5.404 0.837 1.00 . A A . 4 TRP HD1 1 1 17 2457 1 1 4 TRP HE1 H 4.154 5.189 2.451 1.00 . A A . 4 TRP HE1 1 1 17 2458 1 1 4 TRP HE3 H 4.865 2.001 -1.814 1.00 . A A . 4 TRP HE3 1 1 17 2459 1 1 4 TRP HH2 H 7.858 2.115 1.254 1.00 . A A . 4 TRP HH2 1 1 17 2460 1 1 4 TRP HZ2 H 6.557 3.751 2.539 1.00 . A A . 4 TRP HZ2 1 1 17 2461 1 1 4 TRP HZ3 H 7.023 1.247 -0.901 1.00 . A A . 4 TRP HZ3 1 1 17 2462 1 1 4 TRP N N 0.300 3.139 -0.280 1.00 . A A . 4 TRP N 1 1 17 2463 1 1 4 TRP NE1 N 4.056 4.684 1.571 1.00 . A A . 4 TRP NE1 1 1 17 2464 1 1 4 TRP O O 2.067 0.509 -1.802 1.00 . A A . 4 TRP O 1 1 17 2465 1 1 5 ALA C C 1.872 -1.181 0.734 1.00 . A A . 5 ALA C 1 1 17 2466 1 1 5 ALA CA C 2.837 -0.003 0.809 1.00 . A A . 5 ALA CA 1 1 17 2467 1 1 5 ALA CB C 3.333 0.184 2.235 1.00 . A A . 5 ALA CB 1 1 17 2468 1 1 5 ALA H H 2.025 1.977 0.986 1.00 . A A . 5 ALA H 1 1 17 2469 1 1 5 ALA HA H 3.690 -0.221 0.164 1.00 . A A . 5 ALA HA 1 1 17 2470 1 1 5 ALA HB1 H 4.354 -0.180 2.329 1.00 . A A . 5 ALA HB1 1 1 17 2471 1 1 5 ALA HB2 H 2.692 -0.347 2.944 1.00 . A A . 5 ALA HB2 1 1 17 2472 1 1 5 ALA HB3 H 3.317 1.247 2.475 1.00 . A A . 5 ALA HB3 1 1 17 2473 1 1 5 ALA N N 2.211 1.221 0.326 1.00 . A A . 5 ALA N 1 1 17 2474 1 1 5 ALA O O 2.285 -2.340 0.784 1.00 . A A . 5 ALA O 1 1 17 2475 1 1 6 VAL C C -0.359 -2.661 -0.794 1.00 . A A . 6 VAL C 1 1 17 2476 1 1 6 VAL CA C -0.442 -1.911 0.531 1.00 . A A . 6 VAL CA 1 1 17 2477 1 1 6 VAL CB C -1.854 -1.314 0.683 1.00 . A A . 6 VAL CB 1 1 17 2478 1 1 6 VAL CG1 C -2.876 -2.416 0.920 1.00 . A A . 6 VAL CG1 1 1 17 2479 1 1 6 VAL CG2 C -1.883 -0.296 1.813 1.00 . A A . 6 VAL CG2 1 1 17 2480 1 1 6 VAL H H 0.305 0.104 0.577 1.00 . A A . 6 VAL H 1 1 17 2481 1 1 6 VAL HA H -0.280 -2.596 1.351 1.00 . A A . 6 VAL HA 1 1 17 2482 1 1 6 VAL HB H -2.115 -0.805 -0.248 1.00 . A A . 6 VAL HB 1 1 17 2483 1 1 6 VAL HG11 H -2.867 -3.113 0.082 1.00 . A A . 6 VAL HG11 1 1 17 2484 1 1 6 VAL HG12 H -3.871 -1.980 1.019 1.00 . A A . 6 VAL HG12 1 1 17 2485 1 1 6 VAL HG13 H -2.618 -2.947 1.836 1.00 . A A . 6 VAL HG13 1 1 17 2486 1 1 6 VAL HG21 H -1.351 -0.697 2.676 1.00 . A A . 6 VAL HG21 1 1 17 2487 1 1 6 VAL HG22 H -2.917 -0.083 2.092 1.00 . A A . 6 VAL HG22 1 1 17 2488 1 1 6 VAL HG23 H -1.407 0.620 1.486 1.00 . A A . 6 VAL HG23 1 1 17 2489 1 1 6 VAL N N 0.583 -0.877 0.613 1.00 . A A . 6 VAL N 1 1 17 2490 1 1 6 VAL O O -0.797 -3.807 -0.898 1.00 . A A . 6 VAL O 1 1 17 2491 1 1 7 GLY C C 1.610 -3.439 -3.241 1.00 . A A . 7 GLY C 1 1 17 2492 1 1 7 GLY CA C 0.336 -2.629 -3.109 1.00 . A A . 7 GLY CA 1 1 17 2493 1 1 7 GLY H H 0.551 -1.059 -1.660 1.00 . A A . 7 GLY H 1 1 17 2494 1 1 7 GLY HA2 H -0.520 -3.281 -3.293 1.00 . A A . 7 GLY HA2 1 1 17 2495 1 1 7 GLY HA3 H 0.346 -1.843 -3.865 1.00 . A A . 7 GLY HA3 1 1 17 2496 1 1 7 GLY N N 0.206 -2.007 -1.804 1.00 . A A . 7 GLY N 1 1 17 2497 1 1 7 GLY O O 1.565 -4.652 -3.446 1.00 . A A . 7 GLY O 1 1 17 2498 1 1 8 HIS C C 4.147 -4.588 -2.241 1.00 . A A . 8 HIS C 1 1 17 2499 1 1 8 HIS CA C 4.045 -3.433 -3.234 1.00 . A A . 8 HIS CA 1 1 17 2500 1 1 8 HIS CB C 5.178 -2.435 -2.991 1.00 . A A . 8 HIS CB 1 1 17 2501 1 1 8 HIS CD2 C 5.039 -0.853 -5.041 1.00 . A A . 8 HIS CD2 1 1 17 2502 1 1 8 HIS CE1 C 7.031 -1.234 -5.876 1.00 . A A . 8 HIS CE1 1 1 17 2503 1 1 8 HIS CG C 5.652 -1.752 -4.237 1.00 . A A . 8 HIS CG 1 1 17 2504 1 1 8 HIS H H 2.724 -1.761 -2.960 1.00 . A A . 8 HIS H 1 1 17 2505 1 1 8 HIS HA H 4.143 -3.838 -4.243 1.00 . A A . 8 HIS HA 1 1 17 2506 1 1 8 HIS HB2 H 4.823 -1.675 -2.299 1.00 . A A . 8 HIS HB2 1 1 17 2507 1 1 8 HIS HB3 H 6.032 -2.950 -2.538 1.00 . A A . 8 HIS HB3 1 1 17 2508 1 1 8 HIS HD1 H 7.606 -2.602 -4.414 1.00 . A A . 8 HIS HD1 1 1 17 2509 1 1 8 HIS HD2 H 4.145 -0.301 -4.793 1.00 . A A . 8 HIS HD2 1 1 17 2510 1 1 8 HIS HE1 H 7.905 -1.202 -6.511 1.00 . A A . 8 HIS HE1 1 1 17 2511 1 1 8 HIS N N 2.752 -2.767 -3.125 1.00 . A A . 8 HIS N 1 1 17 2512 1 1 8 HIS ND1 N 6.897 -1.971 -4.787 1.00 . A A . 8 HIS ND1 1 1 17 2513 1 1 8 HIS NE2 N 5.917 -0.546 -6.052 1.00 . A A . 8 HIS NE2 1 1 17 2514 1 1 8 HIS O O 4.410 -5.728 -2.625 1.00 . A A . 8 HIS O 1 1 17 2515 1 1 9 LEU C C 2.794 -6.222 0.027 1.00 . A A . 9 LEU C 1 1 17 2516 1 1 9 LEU CA C 4.006 -5.297 0.083 1.00 . A A . 9 LEU CA 1 1 17 2517 1 1 9 LEU CB C 4.091 -4.631 1.457 1.00 . A A . 9 LEU CB 1 1 17 2518 1 1 9 LEU CD1 C 4.896 -2.770 2.930 1.00 . A A . 9 LEU CD1 1 1 17 2519 1 1 9 LEU CD2 C 6.456 -3.821 1.282 1.00 . A A . 9 LEU CD2 1 1 17 2520 1 1 9 LEU CG C 5.016 -3.418 1.560 1.00 . A A . 9 LEU CG 1 1 17 2521 1 1 9 LEU H H 3.727 -3.319 -0.713 1.00 . A A . 9 LEU H 1 1 17 2522 1 1 9 LEU HA H 4.907 -5.891 -0.070 1.00 . A A . 9 LEU HA 1 1 17 2523 1 1 9 LEU HB2 H 3.092 -4.318 1.756 1.00 . A A . 9 LEU HB2 1 1 17 2524 1 1 9 LEU HB3 H 4.444 -5.377 2.171 1.00 . A A . 9 LEU HB3 1 1 17 2525 1 1 9 LEU HD11 H 3.899 -2.354 3.059 1.00 . A A . 9 LEU HD11 1 1 17 2526 1 1 9 LEU HD12 H 5.642 -1.982 3.031 1.00 . A A . 9 LEU HD12 1 1 17 2527 1 1 9 LEU HD13 H 5.070 -3.529 3.692 1.00 . A A . 9 LEU HD13 1 1 17 2528 1 1 9 LEU HD21 H 6.551 -4.184 0.258 1.00 . A A . 9 LEU HD21 1 1 17 2529 1 1 9 LEU HD22 H 6.742 -4.612 1.975 1.00 . A A . 9 LEU HD22 1 1 17 2530 1 1 9 LEU HD23 H 7.109 -2.960 1.423 1.00 . A A . 9 LEU HD23 1 1 17 2531 1 1 9 LEU HG H 4.704 -2.692 0.807 1.00 . A A . 9 LEU HG 1 1 17 2532 1 1 9 LEU N N 3.936 -4.285 -0.966 1.00 . A A . 9 LEU N 1 1 17 2533 1 1 9 LEU O O 2.923 -7.415 -0.248 1.00 . A A . 9 LEU O 1 1 17 2534 1 1 10 MET C C -0.177 -6.524 -1.153 1.00 . A A . 10 MET C 1 1 17 2535 1 1 10 MET CA C 0.381 -6.437 0.263 1.00 . A A . 10 MET CA 1 1 17 2536 1 1 10 MET CB C -0.657 -5.811 1.197 1.00 . A A . 10 MET CB 1 1 17 2537 1 1 10 MET CE C -0.054 -4.312 4.471 1.00 . A A . 10 MET CE 1 1 17 2538 1 1 10 MET CG C -0.572 -6.315 2.627 1.00 . A A . 10 MET CG 1 1 17 2539 1 1 10 MET H H 1.574 -4.667 0.510 1.00 . A A . 10 MET H 1 1 17 2540 1 1 10 MET HA H 0.595 -7.450 0.604 1.00 . A A . 10 MET HA 1 1 17 2541 1 1 10 MET HB2 H -0.495 -4.753 1.215 1.00 . A A . 10 MET HB2 1 1 17 2542 1 1 10 MET HB3 H -1.663 -6.006 0.815 1.00 . A A . 10 MET HB3 1 1 17 2543 1 1 10 MET HE1 H -0.686 -4.782 5.225 1.00 . A A . 10 MET HE1 1 1 17 2544 1 1 10 MET HE2 H 0.670 -3.661 4.959 1.00 . A A . 10 MET HE2 1 1 17 2545 1 1 10 MET HE3 H -0.674 -3.723 3.794 1.00 . A A . 10 MET HE3 1 1 17 2546 1 1 10 MET HG2 H -1.497 -6.064 3.147 1.00 . A A . 10 MET HG2 1 1 17 2547 1 1 10 MET HG3 H -0.461 -7.400 2.621 1.00 . A A . 10 MET HG3 1 1 17 2548 1 1 10 MET N N 1.617 -5.662 0.287 1.00 . A A . 10 MET N 1 1 17 2549 1 1 10 MET O O 0.161 -5.677 -1.951 1.00 . A A . 10 MET O 1 1 17 2550 1 1 10 MET SD S 0.800 -5.584 3.542 1.00 . A A . 10 MET SD 1 1 18 2551 1 1 1 GLY C C -7.235 3.209 0.921 1.00 . A A . 1 GLY C 1 1 18 2552 1 1 1 GLY CA C -8.377 3.996 0.309 1.00 . A A . 1 GLY CA 1 1 18 2553 1 1 1 GLY H1 H -8.101 5.747 1.335 1.00 . A A . 1 GLY H1 1 1 18 2554 1 1 1 GLY H2 H -9.139 4.638 2.098 1.00 . A A . 1 GLY H2 1 1 18 2555 1 1 1 GLY H3 H -9.674 5.521 0.748 1.00 . A A . 1 GLY H3 1 1 18 2556 1 1 1 GLY HA2 H -9.200 3.315 0.095 1.00 . A A . 1 GLY HA2 1 1 18 2557 1 1 1 GLY HA3 H -8.035 4.443 -0.625 1.00 . A A . 1 GLY HA3 1 1 18 2558 1 1 1 GLY N N -8.857 5.050 1.184 1.00 . A A . 1 GLY N 1 1 18 2559 1 1 1 GLY O O -7.128 3.107 2.143 1.00 . A A . 1 GLY O 1 1 18 2560 1 1 2 ASN C C -3.933 2.612 0.292 1.00 . A A . 2 ASN C 1 1 18 2561 1 1 2 ASN CA C -5.242 1.867 0.535 1.00 . A A . 2 ASN CA 1 1 18 2562 1 1 2 ASN CB C -5.208 0.509 -0.171 1.00 . A A . 2 ASN CB 1 1 18 2563 1 1 2 ASN CG C -6.539 -0.213 -0.099 1.00 . A A . 2 ASN CG 1 1 18 2564 1 1 2 ASN H H -6.524 2.769 -0.932 1.00 . A A . 2 ASN H 1 1 18 2565 1 1 2 ASN HA H -5.335 1.681 1.608 1.00 . A A . 2 ASN HA 1 1 18 2566 1 1 2 ASN HB2 H -4.952 0.670 -1.216 1.00 . A A . 2 ASN HB2 1 1 18 2567 1 1 2 ASN HB3 H -4.454 -0.106 0.282 1.00 . A A . 2 ASN HB3 1 1 18 2568 1 1 2 ASN HD21 H -7.202 0.762 -1.771 1.00 . A A . 2 ASN HD21 1 1 18 2569 1 1 2 ASN HD22 H -8.338 -0.370 -1.031 1.00 . A A . 2 ASN HD22 1 1 18 2570 1 1 2 ASN N N -6.380 2.650 0.071 1.00 . A A . 2 ASN N 1 1 18 2571 1 1 2 ASN ND2 N -7.426 0.086 -1.041 1.00 . A A . 2 ASN ND2 1 1 18 2572 1 1 2 ASN O O -3.756 3.257 -0.740 1.00 . A A . 2 ASN O 1 1 18 2573 1 1 2 ASN OD1 O -6.768 -1.030 0.793 1.00 . A A . 2 ASN OD1 1 1 18 2574 1 1 3 HIS C C -0.932 2.635 -0.043 1.00 . A A . 3 HIS C 1 1 18 2575 1 1 3 HIS CA C -1.723 3.180 1.142 1.00 . A A . 3 HIS CA 1 1 18 2576 1 1 3 HIS CB C -0.923 2.999 2.432 1.00 . A A . 3 HIS CB 1 1 18 2577 1 1 3 HIS CD2 C -1.450 5.392 3.283 1.00 . A A . 3 HIS CD2 1 1 18 2578 1 1 3 HIS CE1 C -1.365 4.992 5.438 1.00 . A A . 3 HIS CE1 1 1 18 2579 1 1 3 HIS CG C -1.162 4.079 3.442 1.00 . A A . 3 HIS CG 1 1 18 2580 1 1 3 HIS H H -3.225 1.965 2.085 1.00 . A A . 3 HIS H 1 1 18 2581 1 1 3 HIS HA H -1.894 4.239 0.973 1.00 . A A . 3 HIS HA 1 1 18 2582 1 1 3 HIS HB2 H -1.213 2.066 2.901 1.00 . A A . 3 HIS HB2 1 1 18 2583 1 1 3 HIS HB3 H 0.146 2.965 2.208 1.00 . A A . 3 HIS HB3 1 1 18 2584 1 1 3 HIS HD1 H -0.918 2.966 5.251 1.00 . A A . 3 HIS HD1 1 1 18 2585 1 1 3 HIS HD2 H -1.263 5.961 2.384 1.00 . A A . 3 HIS HD2 1 1 18 2586 1 1 3 HIS HE1 H -1.392 5.119 6.510 1.00 . A A . 3 HIS HE1 1 1 18 2587 1 1 3 HIS N N -3.018 2.516 1.252 1.00 . A A . 3 HIS N 1 1 18 2588 1 1 3 HIS ND1 N -1.115 3.861 4.803 1.00 . A A . 3 HIS ND1 1 1 18 2589 1 1 3 HIS NE2 N -1.572 5.937 4.538 1.00 . A A . 3 HIS NE2 1 1 18 2590 1 1 3 HIS O O -1.399 1.749 -0.757 1.00 . A A . 3 HIS O 1 1 18 2591 1 1 4 TRP C C 1.783 1.402 -1.025 1.00 . A A . 4 TRP C 1 1 18 2592 1 1 4 TRP CA C 1.122 2.739 -1.343 1.00 . A A . 4 TRP CA 1 1 18 2593 1 1 4 TRP CB C 2.191 3.795 -1.630 1.00 . A A . 4 TRP CB 1 1 18 2594 1 1 4 TRP CD1 C 3.000 4.796 0.585 1.00 . A A . 4 TRP CD1 1 1 18 2595 1 1 4 TRP CD2 C 4.432 3.350 -0.349 1.00 . A A . 4 TRP CD2 1 1 18 2596 1 1 4 TRP CE2 C 4.991 3.823 0.854 1.00 . A A . 4 TRP CE2 1 1 18 2597 1 1 4 TRP CE3 C 5.153 2.425 -1.109 1.00 . A A . 4 TRP CE3 1 1 18 2598 1 1 4 TRP CG C 3.158 3.984 -0.501 1.00 . A A . 4 TRP CG 1 1 18 2599 1 1 4 TRP CH2 C 6.923 2.499 0.545 1.00 . A A . 4 TRP CH2 1 1 18 2600 1 1 4 TRP CZ2 C 6.239 3.404 1.310 1.00 . A A . 4 TRP CZ2 1 1 18 2601 1 1 4 TRP CZ3 C 6.391 2.010 -0.655 1.00 . A A . 4 TRP CZ3 1 1 18 2602 1 1 4 TRP H H 0.595 3.904 0.385 1.00 . A A . 4 TRP H 1 1 18 2603 1 1 4 TRP HA H 0.508 2.616 -2.236 1.00 . A A . 4 TRP HA 1 1 18 2604 1 1 4 TRP HB2 H 2.746 3.502 -2.519 1.00 . A A . 4 TRP HB2 1 1 18 2605 1 1 4 TRP HB3 H 1.692 4.745 -1.825 1.00 . A A . 4 TRP HB3 1 1 18 2606 1 1 4 TRP HD1 H 2.139 5.420 0.773 1.00 . A A . 4 TRP HD1 1 1 18 2607 1 1 4 TRP HE1 H 4.242 5.206 2.281 1.00 . A A . 4 TRP HE1 1 1 18 2608 1 1 4 TRP HE3 H 4.746 2.045 -2.035 1.00 . A A . 4 TRP HE3 1 1 18 2609 1 1 4 TRP HH2 H 7.893 2.158 0.875 1.00 . A A . 4 TRP HH2 1 1 18 2610 1 1 4 TRP HZ2 H 6.653 3.780 2.234 1.00 . A A . 4 TRP HZ2 1 1 18 2611 1 1 4 TRP HZ3 H 6.954 1.296 -1.239 1.00 . A A . 4 TRP HZ3 1 1 18 2612 1 1 4 TRP N N 0.267 3.172 -0.244 1.00 . A A . 4 TRP N 1 1 18 2613 1 1 4 TRP NE1 N 4.100 4.705 1.404 1.00 . A A . 4 TRP NE1 1 1 18 2614 1 1 4 TRP O O 1.908 0.539 -1.893 1.00 . A A . 4 TRP O 1 1 18 2615 1 1 5 ALA C C 1.888 -1.174 0.584 1.00 . A A . 5 ALA C 1 1 18 2616 1 1 5 ALA CA C 2.852 0.005 0.657 1.00 . A A . 5 ALA CA 1 1 18 2617 1 1 5 ALA CB C 3.393 0.161 2.071 1.00 . A A . 5 ALA CB 1 1 18 2618 1 1 5 ALA H H 2.070 1.991 0.899 1.00 . A A . 5 ALA H 1 1 18 2619 1 1 5 ALA HA H 3.687 -0.194 -0.018 1.00 . A A . 5 ALA HA 1 1 18 2620 1 1 5 ALA HB1 H 2.729 -0.310 2.793 1.00 . A A . 5 ALA HB1 1 1 18 2621 1 1 5 ALA HB2 H 3.450 1.227 2.297 1.00 . A A . 5 ALA HB2 1 1 18 2622 1 1 5 ALA HB3 H 4.384 -0.259 2.146 1.00 . A A . 5 ALA HB3 1 1 18 2623 1 1 5 ALA N N 2.205 1.238 0.224 1.00 . A A . 5 ALA N 1 1 18 2624 1 1 5 ALA O O 2.304 -2.332 0.623 1.00 . A A . 5 ALA O 1 1 18 2625 1 1 6 VAL C C -0.338 -2.668 -0.920 1.00 . A A . 6 VAL C 1 1 18 2626 1 1 6 VAL CA C -0.425 -1.908 0.400 1.00 . A A . 6 VAL CA 1 1 18 2627 1 1 6 VAL CB C -1.839 -1.313 0.545 1.00 . A A . 6 VAL CB 1 1 18 2628 1 1 6 VAL CG1 C -2.862 -2.416 0.776 1.00 . A A . 6 VAL CG1 1 1 18 2629 1 1 6 VAL CG2 C -1.875 -0.296 1.675 1.00 . A A . 6 VAL CG2 1 1 18 2630 1 1 6 VAL H H 0.315 0.107 0.451 1.00 . A A . 6 VAL H 1 1 18 2631 1 1 6 VAL HA H -0.269 -2.611 1.217 1.00 . A A . 6 VAL HA 1 1 18 2632 1 1 6 VAL HB H -2.084 -0.794 -0.388 1.00 . A A . 6 VAL HB 1 1 18 2633 1 1 6 VAL HG11 H -3.147 -2.449 1.830 1.00 . A A . 6 VAL HG11 1 1 18 2634 1 1 6 VAL HG12 H -2.452 -3.381 0.487 1.00 . A A . 6 VAL HG12 1 1 18 2635 1 1 6 VAL HG13 H -3.754 -2.238 0.178 1.00 . A A . 6 VAL HG13 1 1 18 2636 1 1 6 VAL HG21 H -2.873 0.102 1.819 1.00 . A A . 6 VAL HG21 1 1 18 2637 1 1 6 VAL HG22 H -1.195 0.503 1.422 1.00 . A A . 6 VAL HG22 1 1 18 2638 1 1 6 VAL HG23 H -1.542 -0.779 2.593 1.00 . A A . 6 VAL HG23 1 1 18 2639 1 1 6 VAL N N 0.597 -0.873 0.479 1.00 . A A . 6 VAL N 1 1 18 2640 1 1 6 VAL O O -0.765 -3.817 -1.016 1.00 . A A . 6 VAL O 1 1 18 2641 1 1 7 GLY C C 1.636 -3.442 -3.366 1.00 . A A . 7 GLY C 1 1 18 2642 1 1 7 GLY CA C 0.353 -2.644 -3.236 1.00 . A A . 7 GLY CA 1 1 18 2643 1 1 7 GLY H H 0.556 -1.063 -1.799 1.00 . A A . 7 GLY H 1 1 18 2644 1 1 7 GLY HA2 H -0.496 -3.308 -3.412 1.00 . A A . 7 GLY HA2 1 1 18 2645 1 1 7 GLY HA3 H 0.352 -1.864 -3.998 1.00 . A A . 7 GLY HA3 1 1 18 2646 1 1 7 GLY N N 0.219 -2.016 -1.936 1.00 . A A . 7 GLY N 1 1 18 2647 1 1 7 GLY O O 1.624 -4.577 -3.842 1.00 . A A . 7 GLY O 1 1 18 2648 1 1 8 HIS C C 4.161 -4.592 -1.948 1.00 . A A . 8 HIS C 1 1 18 2649 1 1 8 HIS CA C 4.044 -3.508 -3.015 1.00 . A A . 8 HIS CA 1 1 18 2650 1 1 8 HIS CB C 5.171 -2.488 -2.848 1.00 . A A . 8 HIS CB 1 1 18 2651 1 1 8 HIS CD2 C 4.425 -0.999 -4.837 1.00 . A A . 8 HIS CD2 1 1 18 2652 1 1 8 HIS CE1 C 6.409 -0.401 -5.552 1.00 . A A . 8 HIS CE1 1 1 18 2653 1 1 8 HIS CG C 5.341 -1.586 -4.031 1.00 . A A . 8 HIS CG 1 1 18 2654 1 1 8 HIS H H 2.690 -1.900 -2.562 1.00 . A A . 8 HIS H 1 1 18 2655 1 1 8 HIS HA H 4.147 -3.971 -3.997 1.00 . A A . 8 HIS HA 1 1 18 2656 1 1 8 HIS HB2 H 4.955 -1.874 -1.975 1.00 . A A . 8 HIS HB2 1 1 18 2657 1 1 8 HIS HB3 H 6.109 -3.022 -2.680 1.00 . A A . 8 HIS HB3 1 1 18 2658 1 1 8 HIS HD1 H 7.474 -1.465 -4.114 1.00 . A A . 8 HIS HD1 1 1 18 2659 1 1 8 HIS HD2 H 3.367 -0.928 -4.633 1.00 . A A . 8 HIS HD2 1 1 18 2660 1 1 8 HIS HE1 H 7.201 0.057 -6.127 1.00 . A A . 8 HIS HE1 1 1 18 2661 1 1 8 HIS N N 2.746 -2.846 -2.943 1.00 . A A . 8 HIS N 1 1 18 2662 1 1 8 HIS ND1 N 6.574 -1.192 -4.506 1.00 . A A . 8 HIS ND1 1 1 18 2663 1 1 8 HIS NE2 N 5.114 -0.269 -5.773 1.00 . A A . 8 HIS NE2 1 1 18 2664 1 1 8 HIS O O 4.254 -5.779 -2.261 1.00 . A A . 8 HIS O 1 1 18 2665 1 1 9 LEU C C 3.228 -6.224 0.307 1.00 . A A . 9 LEU C 1 1 18 2666 1 1 9 LEU CA C 4.264 -5.110 0.429 1.00 . A A . 9 LEU CA 1 1 18 2667 1 1 9 LEU CB C 4.085 -4.374 1.757 1.00 . A A . 9 LEU CB 1 1 18 2668 1 1 9 LEU CD1 C 4.709 -2.520 3.325 1.00 . A A . 9 LEU CD1 1 1 18 2669 1 1 9 LEU CD2 C 6.361 -3.332 1.631 1.00 . A A . 9 LEU CD2 1 1 18 2670 1 1 9 LEU CG C 4.888 -3.084 1.924 1.00 . A A . 9 LEU CG 1 1 18 2671 1 1 9 LEU H H 4.080 -3.177 -0.491 1.00 . A A . 9 LEU H 1 1 18 2672 1 1 9 LEU HA H 5.257 -5.557 0.412 1.00 . A A . 9 LEU HA 1 1 18 2673 1 1 9 LEU HB2 H 3.030 -4.141 1.886 1.00 . A A . 9 LEU HB2 1 1 18 2674 1 1 9 LEU HB3 H 4.383 -5.057 2.554 1.00 . A A . 9 LEU HB3 1 1 18 2675 1 1 9 LEU HD11 H 3.687 -2.193 3.467 1.00 . A A . 9 LEU HD11 1 1 18 2676 1 1 9 LEU HD12 H 5.395 -1.693 3.494 1.00 . A A . 9 LEU HD12 1 1 18 2677 1 1 9 LEU HD13 H 4.930 -3.310 4.042 1.00 . A A . 9 LEU HD13 1 1 18 2678 1 1 9 LEU HD21 H 6.700 -4.186 2.217 1.00 . A A . 9 LEU HD21 1 1 18 2679 1 1 9 LEU HD22 H 6.944 -2.451 1.901 1.00 . A A . 9 LEU HD22 1 1 18 2680 1 1 9 LEU HD23 H 6.499 -3.544 0.572 1.00 . A A . 9 LEU HD23 1 1 18 2681 1 1 9 LEU HG H 4.517 -2.356 1.208 1.00 . A A . 9 LEU HG 1 1 18 2682 1 1 9 LEU N N 4.157 -4.176 -0.685 1.00 . A A . 9 LEU N 1 1 18 2683 1 1 9 LEU O O 3.572 -7.383 0.082 1.00 . A A . 9 LEU O 1 1 18 2684 1 1 10 MET C C 0.712 -7.325 -1.074 1.00 . A A . 10 MET C 1 1 18 2685 1 1 10 MET CA C 0.872 -6.828 0.359 1.00 . A A . 10 MET CA 1 1 18 2686 1 1 10 MET CB C -0.439 -6.207 0.845 1.00 . A A . 10 MET CB 1 1 18 2687 1 1 10 MET CE C -2.418 -5.079 3.093 1.00 . A A . 10 MET CE 1 1 18 2688 1 1 10 MET CG C -1.307 -7.164 1.645 1.00 . A A . 10 MET CG 1 1 18 2689 1 1 10 MET H H 1.737 -4.882 0.640 1.00 . A A . 10 MET H 1 1 18 2690 1 1 10 MET HA H 1.117 -7.679 0.996 1.00 . A A . 10 MET HA 1 1 18 2691 1 1 10 MET HB2 H -0.190 -5.358 1.471 1.00 . A A . 10 MET HB2 1 1 18 2692 1 1 10 MET HB3 H -1.021 -5.857 -0.007 1.00 . A A . 10 MET HB3 1 1 18 2693 1 1 10 MET HE1 H -1.932 -4.319 2.500 1.00 . A A . 10 MET HE1 1 1 18 2694 1 1 10 MET HE2 H -3.297 -4.652 3.576 1.00 . A A . 10 MET HE2 1 1 18 2695 1 1 10 MET HE3 H -1.726 -5.437 3.856 1.00 . A A . 10 MET HE3 1 1 18 2696 1 1 10 MET HG2 H -1.456 -8.072 1.062 1.00 . A A . 10 MET HG2 1 1 18 2697 1 1 10 MET HG3 H -0.785 -7.417 2.569 1.00 . A A . 10 MET HG3 1 1 18 2698 1 1 10 MET N N 1.958 -5.861 0.456 1.00 . A A . 10 MET N 1 1 18 2699 1 1 10 MET O O 1.533 -6.955 -1.898 1.00 . A A . 10 MET O 1 1 18 2700 1 1 10 MET SD S -2.913 -6.461 2.066 1.00 . A A . 10 MET SD 1 1 19 2701 1 1 1 GLY C C -6.158 1.469 2.515 1.00 . A A . 1 GLY C 1 1 19 2702 1 1 1 GLY CA C -6.867 2.073 3.710 1.00 . A A . 1 GLY CA 1 1 19 2703 1 1 1 GLY H1 H -6.314 3.232 5.305 1.00 . A A . 1 GLY H1 1 1 19 2704 1 1 1 GLY H2 H -6.454 4.074 3.836 1.00 . A A . 1 GLY H2 1 1 19 2705 1 1 1 GLY H3 H -5.122 3.057 4.116 1.00 . A A . 1 GLY H3 1 1 19 2706 1 1 1 GLY HA2 H -6.991 1.304 4.472 1.00 . A A . 1 GLY HA2 1 1 19 2707 1 1 1 GLY HA3 H -7.850 2.421 3.395 1.00 . A A . 1 GLY HA3 1 1 19 2708 1 1 1 GLY N N -6.138 3.188 4.283 1.00 . A A . 1 GLY N 1 1 19 2709 1 1 1 GLY O O -5.841 0.280 2.509 1.00 . A A . 1 GLY O 1 1 19 2710 1 1 2 ASN C C -3.914 2.570 0.089 1.00 . A A . 2 ASN C 1 1 19 2711 1 1 2 ASN CA C -5.232 1.828 0.292 1.00 . A A . 2 ASN CA 1 1 19 2712 1 1 2 ASN CB C -6.134 2.022 -0.927 1.00 . A A . 2 ASN CB 1 1 19 2713 1 1 2 ASN CG C -6.628 3.449 -1.060 1.00 . A A . 2 ASN CG 1 1 19 2714 1 1 2 ASN H H -6.198 3.265 1.567 1.00 . A A . 2 ASN H 1 1 19 2715 1 1 2 ASN HA H -5.004 0.763 0.381 1.00 . A A . 2 ASN HA 1 1 19 2716 1 1 2 ASN HB2 H -5.575 1.761 -1.824 1.00 . A A . 2 ASN HB2 1 1 19 2717 1 1 2 ASN HB3 H -6.991 1.353 -0.838 1.00 . A A . 2 ASN HB3 1 1 19 2718 1 1 2 ASN HD21 H -8.044 2.874 -2.418 1.00 . A A . 2 ASN HD21 1 1 19 2719 1 1 2 ASN HD22 H -8.007 4.594 -2.021 1.00 . A A . 2 ASN HD22 1 1 19 2720 1 1 2 ASN N N -5.908 2.289 1.501 1.00 . A A . 2 ASN N 1 1 19 2721 1 1 2 ASN ND2 N -7.638 3.651 -1.898 1.00 . A A . 2 ASN ND2 1 1 19 2722 1 1 2 ASN O O -3.688 3.178 -0.958 1.00 . A A . 2 ASN O 1 1 19 2723 1 1 2 ASN OD1 O -6.107 4.360 -0.415 1.00 . A A . 2 ASN OD1 1 1 19 2724 1 1 3 HIS C C -0.910 2.614 -0.110 1.00 . A A . 3 HIS C 1 1 19 2725 1 1 3 HIS CA C -1.753 3.183 1.027 1.00 . A A . 3 HIS CA 1 1 19 2726 1 1 3 HIS CB C -1.008 3.033 2.354 1.00 . A A . 3 HIS CB 1 1 19 2727 1 1 3 HIS CD2 C -2.378 4.374 4.102 1.00 . A A . 3 HIS CD2 1 1 19 2728 1 1 3 HIS CE1 C -0.927 5.972 4.489 1.00 . A A . 3 HIS CE1 1 1 19 2729 1 1 3 HIS CG C -1.293 4.135 3.329 1.00 . A A . 3 HIS CG 1 1 19 2730 1 1 3 HIS H H -3.295 1.993 1.936 1.00 . A A . 3 HIS H 1 1 19 2731 1 1 3 HIS HA H -1.919 4.243 0.834 1.00 . A A . 3 HIS HA 1 1 19 2732 1 1 3 HIS HB2 H -1.317 2.114 2.835 1.00 . A A . 3 HIS HB2 1 1 19 2733 1 1 3 HIS HB3 H 0.070 2.999 2.178 1.00 . A A . 3 HIS HB3 1 1 19 2734 1 1 3 HIS HD1 H 0.517 5.259 3.168 1.00 . A A . 3 HIS HD1 1 1 19 2735 1 1 3 HIS HD2 H -3.342 3.899 3.991 1.00 . A A . 3 HIS HD2 1 1 19 2736 1 1 3 HIS HE1 H -0.452 6.856 4.889 1.00 . A A . 3 HIS HE1 1 1 19 2737 1 1 3 HIS N N -3.049 2.516 1.096 1.00 . A A . 3 HIS N 1 1 19 2738 1 1 3 HIS ND1 N -0.403 5.153 3.593 1.00 . A A . 3 HIS ND1 1 1 19 2739 1 1 3 HIS NE2 N -2.125 5.521 4.814 1.00 . A A . 3 HIS NE2 1 1 19 2740 1 1 3 HIS O O -1.336 1.697 -0.814 1.00 . A A . 3 HIS O 1 1 19 2741 1 1 4 TRP C C 1.833 1.380 -0.968 1.00 . A A . 4 TRP C 1 1 19 2742 1 1 4 TRP CA C 1.189 2.712 -1.336 1.00 . A A . 4 TRP CA 1 1 19 2743 1 1 4 TRP CB C 2.272 3.761 -1.594 1.00 . A A . 4 TRP CB 1 1 19 2744 1 1 4 TRP CD1 C 2.993 4.801 0.634 1.00 . A A . 4 TRP CD1 1 1 19 2745 1 1 4 TRP CD2 C 4.452 3.324 -0.207 1.00 . A A . 4 TRP CD2 1 1 19 2746 1 1 4 TRP CE2 C 4.962 3.818 1.009 1.00 . A A . 4 TRP CE2 1 1 19 2747 1 1 4 TRP CE3 C 5.197 2.380 -0.917 1.00 . A A . 4 TRP CE3 1 1 19 2748 1 1 4 TRP CG C 3.190 3.965 -0.428 1.00 . A A . 4 TRP CG 1 1 19 2749 1 1 4 TRP CH2 C 6.894 2.474 0.810 1.00 . A A . 4 TRP CH2 1 1 19 2750 1 1 4 TRP CZ2 C 6.185 3.399 1.527 1.00 . A A . 4 TRP CZ2 1 1 19 2751 1 1 4 TRP CZ3 C 6.410 1.966 -0.402 1.00 . A A . 4 TRP CZ3 1 1 19 2752 1 1 4 TRP H H 0.580 3.921 0.333 1.00 . A A . 4 TRP H 1 1 19 2753 1 1 4 TRP HA H 0.614 2.575 -2.252 1.00 . A A . 4 TRP HA 1 1 19 2754 1 1 4 TRP HB2 H 2.865 3.452 -2.454 1.00 . A A . 4 TRP HB2 1 1 19 2755 1 1 4 TRP HB3 H 1.785 4.709 -1.825 1.00 . A A . 4 TRP HB3 1 1 19 2756 1 1 4 TRP HD1 H 2.130 5.435 0.772 1.00 . A A . 4 TRP HD1 1 1 19 2757 1 1 4 TRP HE1 H 4.163 5.234 2.375 1.00 . A A . 4 TRP HE1 1 1 19 2758 1 1 4 TRP HE3 H 4.828 1.985 -1.852 1.00 . A A . 4 TRP HE3 1 1 19 2759 1 1 4 TRP HH2 H 7.846 2.133 1.188 1.00 . A A . 4 TRP HH2 1 1 19 2760 1 1 4 TRP HZ2 H 6.561 3.789 2.461 1.00 . A A . 4 TRP HZ2 1 1 19 2761 1 1 4 TRP HZ3 H 6.991 1.237 -0.948 1.00 . A A . 4 TRP HZ3 1 1 19 2762 1 1 4 TRP N N 0.286 3.163 -0.284 1.00 . A A . 4 TRP N 1 1 19 2763 1 1 4 TRP NE1 N 4.055 4.717 1.502 1.00 . A A . 4 TRP NE1 1 1 19 2764 1 1 4 TRP O O 1.996 0.503 -1.815 1.00 . A A . 4 TRP O 1 1 19 2765 1 1 5 ALA C C 1.850 -1.166 0.712 1.00 . A A . 5 ALA C 1 1 19 2766 1 1 5 ALA CA C 2.820 0.009 0.784 1.00 . A A . 5 ALA CA 1 1 19 2767 1 1 5 ALA CB C 3.320 0.195 2.209 1.00 . A A . 5 ALA CB 1 1 19 2768 1 1 5 ALA H H 2.032 2.000 0.958 1.00 . A A . 5 ALA H 1 1 19 2769 1 1 5 ALA HA H 3.673 -0.215 0.140 1.00 . A A . 5 ALA HA 1 1 19 2770 1 1 5 ALA HB1 H 4.365 0.511 2.200 1.00 . A A . 5 ALA HB1 1 1 19 2771 1 1 5 ALA HB2 H 3.228 -0.731 2.775 1.00 . A A . 5 ALA HB2 1 1 19 2772 1 1 5 ALA HB3 H 2.722 0.968 2.692 1.00 . A A . 5 ALA HB3 1 1 19 2773 1 1 5 ALA N N 2.196 1.236 0.303 1.00 . A A . 5 ALA N 1 1 19 2774 1 1 5 ALA O O 2.257 -2.325 0.780 1.00 . A A . 5 ALA O 1 1 19 2775 1 1 6 VAL C C -0.366 -2.659 -0.821 1.00 . A A . 6 VAL C 1 1 19 2776 1 1 6 VAL CA C -0.464 -1.887 0.490 1.00 . A A . 6 VAL CA 1 1 19 2777 1 1 6 VAL CB C -1.875 -1.282 0.613 1.00 . A A . 6 VAL CB 1 1 19 2778 1 1 6 VAL CG1 C -2.907 -2.376 0.851 1.00 . A A . 6 VAL CG1 1 1 19 2779 1 1 6 VAL CG2 C -1.917 -0.249 1.728 1.00 . A A . 6 VAL CG2 1 1 19 2780 1 1 6 VAL H H 0.291 0.124 0.521 1.00 . A A . 6 VAL H 1 1 19 2781 1 1 6 VAL HA H -0.322 -2.584 1.316 1.00 . A A . 6 VAL HA 1 1 19 2782 1 1 6 VAL HB H -2.113 -0.780 -0.329 1.00 . A A . 6 VAL HB 1 1 19 2783 1 1 6 VAL HG11 H -2.991 -2.566 1.922 1.00 . A A . 6 VAL HG11 1 1 19 2784 1 1 6 VAL HG12 H -2.627 -3.295 0.346 1.00 . A A . 6 VAL HG12 1 1 19 2785 1 1 6 VAL HG13 H -3.878 -2.048 0.476 1.00 . A A . 6 VAL HG13 1 1 19 2786 1 1 6 VAL HG21 H -1.202 0.526 1.485 1.00 . A A . 6 VAL HG21 1 1 19 2787 1 1 6 VAL HG22 H -1.644 -0.720 2.672 1.00 . A A . 6 VAL HG22 1 1 19 2788 1 1 6 VAL HG23 H -2.916 0.180 1.804 1.00 . A A . 6 VAL HG23 1 1 19 2789 1 1 6 VAL N N 0.564 -0.857 0.573 1.00 . A A . 6 VAL N 1 1 19 2790 1 1 6 VAL O O -0.809 -3.803 -0.916 1.00 . A A . 6 VAL O 1 1 19 2791 1 1 7 GLY C C 1.643 -3.472 -3.232 1.00 . A A . 7 GLY C 1 1 19 2792 1 1 7 GLY CA C 0.365 -2.665 -3.126 1.00 . A A . 7 GLY CA 1 1 19 2793 1 1 7 GLY H H 0.567 -1.075 -1.698 1.00 . A A . 7 GLY H 1 1 19 2794 1 1 7 GLY HA2 H -0.486 -3.325 -3.309 1.00 . A A . 7 GLY HA2 1 1 19 2795 1 1 7 GLY HA3 H 0.380 -1.892 -3.895 1.00 . A A . 7 GLY HA3 1 1 19 2796 1 1 7 GLY N N 0.218 -2.023 -1.833 1.00 . A A . 7 GLY N 1 1 19 2797 1 1 7 GLY O O 1.605 -4.689 -3.412 1.00 . A A . 7 GLY O 1 1 19 2798 1 1 8 HIS C C 4.159 -4.618 -2.224 1.00 . A A . 8 HIS C 1 1 19 2799 1 1 8 HIS CA C 4.077 -3.454 -3.207 1.00 . A A . 8 HIS CA 1 1 19 2800 1 1 8 HIS CB C 5.202 -2.457 -2.927 1.00 . A A . 8 HIS CB 1 1 19 2801 1 1 8 HIS CD2 C 4.857 -1.025 -5.062 1.00 . A A . 8 HIS CD2 1 1 19 2802 1 1 8 HIS CE1 C 6.964 -0.703 -5.575 1.00 . A A . 8 HIS CE1 1 1 19 2803 1 1 8 HIS CG C 5.605 -1.657 -4.128 1.00 . A A . 8 HIS CG 1 1 19 2804 1 1 8 HIS H H 2.745 -1.783 -2.977 1.00 . A A . 8 HIS H 1 1 19 2805 1 1 8 HIS HA H 4.203 -3.845 -4.217 1.00 . A A . 8 HIS HA 1 1 19 2806 1 1 8 HIS HB2 H 4.868 -1.768 -2.154 1.00 . A A . 8 HIS HB2 1 1 19 2807 1 1 8 HIS HB3 H 6.082 -2.993 -2.562 1.00 . A A . 8 HIS HB3 1 1 19 2808 1 1 8 HIS HD1 H 7.734 -1.787 -3.972 1.00 . A A . 8 HIS HD1 1 1 19 2809 1 1 8 HIS HD2 H 3.801 -0.814 -4.981 1.00 . A A . 8 HIS HD2 1 1 19 2810 1 1 8 HIS HE1 H 7.863 -0.375 -6.078 1.00 . A A . 8 HIS HE1 1 1 19 2811 1 1 8 HIS N N 2.780 -2.793 -3.121 1.00 . A A . 8 HIS N 1 1 19 2812 1 1 8 HIS ND1 N 6.920 -1.438 -4.478 1.00 . A A . 8 HIS ND1 1 1 19 2813 1 1 8 HIS NE2 N 5.726 -0.440 -5.950 1.00 . A A . 8 HIS NE2 1 1 19 2814 1 1 8 HIS O O 4.242 -5.779 -2.626 1.00 . A A . 8 HIS O 1 1 19 2815 1 1 9 LEU C C 3.156 -6.404 -0.118 1.00 . A A . 9 LEU C 1 1 19 2816 1 1 9 LEU CA C 4.206 -5.321 0.106 1.00 . A A . 9 LEU CA 1 1 19 2817 1 1 9 LEU CB C 4.014 -4.686 1.485 1.00 . A A . 9 LEU CB 1 1 19 2818 1 1 9 LEU CD1 C 4.650 -2.979 3.207 1.00 . A A . 9 LEU CD1 1 1 19 2819 1 1 9 LEU CD2 C 6.316 -3.693 1.484 1.00 . A A . 9 LEU CD2 1 1 19 2820 1 1 9 LEU CG C 4.844 -3.433 1.768 1.00 . A A . 9 LEU CG 1 1 19 2821 1 1 9 LEU H H 4.068 -3.319 -0.666 1.00 . A A . 9 LEU H 1 1 19 2822 1 1 9 LEU HA H 5.194 -5.780 0.075 1.00 . A A . 9 LEU HA 1 1 19 2823 1 1 9 LEU HB2 H 2.962 -4.428 1.600 1.00 . A A . 9 LEU HB2 1 1 19 2824 1 1 9 LEU HB3 H 4.268 -5.433 2.238 1.00 . A A . 9 LEU HB3 1 1 19 2825 1 1 9 LEU HD11 H 5.135 -3.695 3.870 1.00 . A A . 9 LEU HD11 1 1 19 2826 1 1 9 LEU HD12 H 3.586 -2.936 3.440 1.00 . A A . 9 LEU HD12 1 1 19 2827 1 1 9 LEU HD13 H 5.098 -1.996 3.348 1.00 . A A . 9 LEU HD13 1 1 19 2828 1 1 9 LEU HD21 H 6.617 -4.611 1.989 1.00 . A A . 9 LEU HD21 1 1 19 2829 1 1 9 LEU HD22 H 6.912 -2.859 1.857 1.00 . A A . 9 LEU HD22 1 1 19 2830 1 1 9 LEU HD23 H 6.476 -3.801 0.411 1.00 . A A . 9 LEU HD23 1 1 19 2831 1 1 9 LEU HG H 4.506 -2.638 1.107 1.00 . A A . 9 LEU HG 1 1 19 2832 1 1 9 LEU N N 4.134 -4.301 -0.934 1.00 . A A . 9 LEU N 1 1 19 2833 1 1 9 LEU O O 3.486 -7.548 -0.425 1.00 . A A . 9 LEU O 1 1 19 2834 1 1 10 MET C C 0.621 -7.319 -1.630 1.00 . A A . 10 MET C 1 1 19 2835 1 1 10 MET CA C 0.790 -6.971 -0.155 1.00 . A A . 10 MET CA 1 1 19 2836 1 1 10 MET CB C -0.512 -6.383 0.395 1.00 . A A . 10 MET CB 1 1 19 2837 1 1 10 MET CE C -2.398 -5.422 2.843 1.00 . A A . 10 MET CE 1 1 19 2838 1 1 10 MET CG C -1.339 -7.379 1.192 1.00 . A A . 10 MET CG 1 1 19 2839 1 1 10 MET H H 1.679 -5.067 0.291 1.00 . A A . 10 MET H 1 1 19 2840 1 1 10 MET HA H 1.026 -7.885 0.393 1.00 . A A . 10 MET HA 1 1 19 2841 1 1 10 MET HB2 H -0.261 -5.547 1.041 1.00 . A A . 10 MET HB2 1 1 19 2842 1 1 10 MET HB3 H -1.130 -6.019 -0.427 1.00 . A A . 10 MET HB3 1 1 19 2843 1 1 10 MET HE1 H -1.649 -5.833 3.520 1.00 . A A . 10 MET HE1 1 1 19 2844 1 1 10 MET HE2 H -1.968 -4.595 2.288 1.00 . A A . 10 MET HE2 1 1 19 2845 1 1 10 MET HE3 H -3.252 -5.067 3.421 1.00 . A A . 10 MET HE3 1 1 19 2846 1 1 10 MET HG2 H -1.507 -8.265 0.580 1.00 . A A . 10 MET HG2 1 1 19 2847 1 1 10 MET HG3 H -0.774 -7.664 2.081 1.00 . A A . 10 MET HG3 1 1 19 2848 1 1 10 MET N N 1.889 -6.032 0.036 1.00 . A A . 10 MET N 1 1 19 2849 1 1 10 MET O O 0.218 -6.445 -2.379 1.00 . A A . 10 MET O 1 1 19 2850 1 1 10 MET SD S -2.928 -6.704 1.711 1.00 . A A . 10 MET SD 1 1 stop_ save_
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