NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
596103 | 2n0g | 25524 | cing | 4-filtered-FRED | STAR | entry | full | 106 |
data_FRED_restraints_with_modified_coordinates_PDB_code_2n0g # This FRED archive file contains, for PDB entry <2n0g>: # # - 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_2n0g _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 2n0g _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 1 105 1 . . . 1 1 106 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 2 ASN HA . 2 ASN HA 1 1 1 1 2 1 1 2 ASN QD . 2 ASN QD2 1 1 2 1 1 1 1 2 ASN HA . 2 ASN HA 1 1 2 1 2 1 1 3 HIS QB . 3 HIS QB 1 1 3 1 1 1 1 2 ASN HA . 2 ASN HA 1 1 3 1 2 1 1 4 TRP H . 4 TRP H 1 1 4 1 1 1 1 2 ASN HA . 2 ASN HA 1 1 4 1 2 1 1 5 ALA H . 5 ALA H 1 1 5 1 1 1 1 2 ASN HA . 2 ASN HA 1 1 5 1 2 1 1 5 ALA MB . 5 ALA QB 1 1 6 1 1 1 1 2 ASN QB . 2 ASN QB 1 1 6 1 2 1 1 3 HIS H . 3 HIS H 1 1 7 1 1 1 1 2 ASN QB . 2 ASN QB 1 1 7 1 2 1 1 3 HIS HA . 3 HIS HA 1 1 8 1 1 1 1 2 ASN QB . 2 ASN QB 1 1 8 1 2 1 1 3 HIS QB . 3 HIS QB 1 1 9 1 1 1 1 2 ASN QB . 2 ASN QB 1 1 9 1 2 1 1 4 TRP H . 4 TRP H 1 1 10 1 1 1 1 2 ASN QB . 2 ASN QB 1 1 10 1 2 1 1 5 ALA H . 5 ALA H 1 1 11 1 1 1 1 2 ASN QB . 2 ASN QB 1 1 11 1 2 1 1 5 ALA MB . 5 ALA QB 1 1 12 1 1 1 1 2 ASN QB . 2 ASN QB 1 1 12 1 2 1 1 6 VAL MG2 . 6 VAL QG2 1 1 13 1 1 1 1 2 ASN QD . 2 ASN QD2 1 1 13 1 2 1 1 5 ALA H . 5 ALA H 1 1 14 1 1 1 1 2 ASN QD . 2 ASN QD2 1 1 14 1 2 1 1 5 ALA MB . 5 ALA QB 1 1 15 1 1 1 1 2 ASN QD . 2 ASN QD2 1 1 15 1 2 1 1 6 VAL H . 6 VAL H 1 1 16 1 1 1 1 3 HIS H . 3 HIS H 1 1 16 1 2 1 1 3 HIS QB . 3 HIS QB 1 1 17 1 1 1 1 3 HIS H . 3 HIS H 1 1 17 1 2 1 1 4 TRP H . 4 TRP H 1 1 18 1 1 1 1 3 HIS HA . 3 HIS HA 1 1 18 1 2 1 1 5 ALA MB . 5 ALA QB 1 1 19 1 1 1 1 3 HIS HA . 3 HIS HA 1 1 19 1 2 1 1 6 VAL H . 6 VAL H 1 1 20 1 1 1 1 3 HIS HA . 3 HIS HA 1 1 20 1 2 1 1 6 VAL HB . 6 VAL HB 1 1 21 1 1 1 1 3 HIS HA . 3 HIS HA 1 1 21 1 2 1 1 6 VAL MG1 . 6 VAL QG1 1 1 22 1 1 1 1 3 HIS HA . 3 HIS HA 1 1 22 1 2 1 1 6 VAL MG2 . 6 VAL QG2 1 1 23 1 1 1 1 3 HIS QB . 3 HIS QB 1 1 23 1 2 1 1 3 HIS HD2 . 3 HIS HD2 1 1 24 1 1 1 1 3 HIS QB . 3 HIS QB 1 1 24 1 2 1 1 4 TRP H . 4 TRP H 1 1 25 1 1 1 1 3 HIS QB . 3 HIS QB 1 1 25 1 2 1 1 6 VAL HB . 6 VAL HB 1 1 26 1 1 1 1 3 HIS QB . 3 HIS QB 1 1 26 1 2 1 1 6 VAL MG2 . 6 VAL QG2 1 1 27 1 1 1 1 3 HIS HD2 . 3 HIS HD2 1 1 27 1 2 1 1 6 VAL MG1 . 6 VAL QG1 1 1 28 1 1 1 1 4 TRP H . 4 TRP H 1 1 28 1 2 1 1 4 TRP QB . 4 TRP QB 1 1 29 1 1 1 1 4 TRP H . 4 TRP H 1 1 29 1 2 1 1 4 TRP HD1 . 4 TRP HD1 1 1 30 1 1 1 1 4 TRP HA . 4 TRP HA 1 1 30 1 2 1 1 4 TRP QB . 4 TRP QB 1 1 31 1 1 1 1 4 TRP HA . 4 TRP HA 1 1 31 1 2 1 1 4 TRP HD1 . 4 TRP HD1 1 1 32 1 1 1 1 4 TRP HA . 4 TRP HA 1 1 32 1 2 1 1 4 TRP HE3 . 4 TRP HE3 1 1 33 1 1 1 1 4 TRP HA . 4 TRP HA 1 1 33 1 2 1 1 5 ALA MB . 5 ALA QB 1 1 34 1 1 1 1 4 TRP HA . 4 TRP HA 1 1 34 1 2 1 1 7 GLY H . 7 GLY H 1 1 35 1 1 1 1 4 TRP HA . 4 TRP HA 1 1 35 1 2 1 1 7 GLY QA . 7 GLY QA 1 1 36 1 1 1 1 4 TRP QB . 4 TRP QB 1 1 36 1 2 1 1 4 TRP HD1 . 4 TRP HD1 1 1 37 1 1 1 1 4 TRP QB . 4 TRP QB 1 1 37 1 2 1 1 4 TRP HE1 . 4 TRP HE1 1 1 38 1 1 1 1 4 TRP QB . 4 TRP QB 1 1 38 1 2 1 1 4 TRP HE3 . 4 TRP HE3 1 1 39 1 1 1 1 4 TRP QB . 4 TRP QB 1 1 39 1 2 1 1 5 ALA H . 5 ALA H 1 1 40 1 1 1 1 4 TRP QB . 4 TRP QB 1 1 40 1 2 1 1 5 ALA MB . 5 ALA QB 1 1 41 1 1 1 1 4 TRP QB . 4 TRP QB 1 1 41 1 2 1 1 6 VAL H . 6 VAL H 1 1 42 1 1 1 1 4 TRP HE3 . 4 TRP HE3 1 1 42 1 2 1 1 5 ALA H . 5 ALA H 1 1 43 1 1 1 1 4 TRP HE3 . 4 TRP HE3 1 1 43 1 2 1 1 5 ALA HA . 5 ALA HA 1 1 44 1 1 1 1 4 TRP HE3 . 4 TRP HE3 1 1 44 1 2 1 1 5 ALA MB . 5 ALA QB 1 1 45 1 1 1 1 5 ALA H . 5 ALA H 1 1 45 1 2 1 1 5 ALA MB . 5 ALA QB 1 1 46 1 1 1 1 5 ALA H . 5 ALA H 1 1 46 1 2 1 1 6 VAL H . 6 VAL H 1 1 47 1 1 1 1 5 ALA MB . 5 ALA QB 1 1 47 1 2 1 1 6 VAL H . 6 VAL H 1 1 48 1 1 1 1 5 ALA MB . 5 ALA QB 1 1 48 1 2 1 1 6 VAL HA . 6 VAL HA 1 1 49 1 1 1 1 5 ALA MB . 5 ALA QB 1 1 49 1 2 1 1 6 VAL MG2 . 6 VAL QG2 1 1 50 1 1 1 1 5 ALA MB . 5 ALA QB 1 1 50 1 2 1 1 9 LEU MD1 . 9 LEU QD1 1 1 51 1 1 1 1 6 VAL H . 6 VAL H 1 1 51 1 2 1 1 6 VAL HB . 6 VAL HB 1 1 52 1 1 1 1 6 VAL H . 6 VAL H 1 1 52 1 2 1 1 6 VAL MG1 . 6 VAL QG1 1 1 53 1 1 1 1 6 VAL H . 6 VAL H 1 1 53 1 2 1 1 6 VAL MG2 . 6 VAL QG2 1 1 54 1 1 1 1 6 VAL H . 6 VAL H 1 1 54 1 2 1 1 7 GLY H . 7 GLY H 1 1 55 1 1 1 1 6 VAL H . 6 VAL H 1 1 55 1 2 1 1 9 LEU MD1 . 9 LEU QD1 1 1 56 1 1 1 1 6 VAL HA . 6 VAL HA 1 1 56 1 2 1 1 6 VAL MG1 . 6 VAL QG1 1 1 57 1 1 1 1 6 VAL HA . 6 VAL HA 1 1 57 1 2 1 1 6 VAL MG2 . 6 VAL QG2 1 1 58 1 1 1 1 6 VAL HA . 6 VAL HA 1 1 58 1 2 1 1 9 LEU H . 9 LEU H 1 1 59 1 1 1 1 6 VAL HA . 6 VAL HA 1 1 59 1 2 1 1 9 LEU HB2 . 9 LEU HB2 1 1 60 1 1 1 1 6 VAL HA . 6 VAL HA 1 1 60 1 2 1 1 9 LEU QB . 9 LEU QB 1 1 61 1 1 1 1 6 VAL HA . 6 VAL HA 1 1 61 1 2 1 1 9 LEU HB3 . 9 LEU HB3 1 1 62 1 1 1 1 6 VAL HA . 6 VAL HA 1 1 62 1 2 1 1 9 LEU MD1 . 9 LEU QD1 1 1 63 1 1 1 1 6 VAL HA . 6 VAL HA 1 1 63 1 2 1 1 9 LEU HG . 9 LEU HG 1 1 64 1 1 1 1 6 VAL HA . 6 VAL HA 1 1 64 1 2 1 1 10 MET H . 10 MET H 1 1 65 1 1 1 1 6 VAL HB . 6 VAL HB 1 1 65 1 2 1 1 7 GLY H . 7 GLY H 1 1 66 1 1 1 1 6 VAL MG1 . 6 VAL QG1 1 1 66 1 2 1 1 7 GLY H . 7 GLY H 1 1 67 1 1 1 1 6 VAL MG1 . 6 VAL QG1 1 1 67 1 2 1 1 10 MET HA . 10 MET HA 1 1 68 1 1 1 1 6 VAL MG1 . 6 VAL QG1 1 1 68 1 2 1 1 10 MET HG2 . 10 MET HG2 1 1 69 1 1 1 1 6 VAL MG1 . 6 VAL QG1 1 1 69 1 2 1 1 10 MET HG3 . 10 MET HG3 1 1 70 1 1 1 1 6 VAL MG2 . 6 VAL QG2 1 1 70 1 2 1 1 7 GLY H . 7 GLY H 1 1 71 1 1 1 1 7 GLY H . 7 GLY H 1 1 71 1 2 1 1 7 GLY QA . 7 GLY QA 1 1 72 1 1 1 1 7 GLY H . 7 GLY H 1 1 72 1 2 1 1 8 HIS H . 8 HIS H 1 1 73 1 1 1 1 7 GLY QA . 7 GLY QA 1 1 73 1 2 1 1 8 HIS HA . 8 HIS HA 1 1 74 1 1 1 1 7 GLY QA . 7 GLY QA 1 1 74 1 2 1 1 10 MET H . 10 MET H 1 1 75 1 1 1 1 8 HIS H . 8 HIS H 1 1 75 1 2 1 1 8 HIS HB2 . 8 HIS HB2 1 1 76 1 1 1 1 8 HIS H . 8 HIS H 1 1 76 1 2 1 1 8 HIS QB . 8 HIS QB 1 1 77 1 1 1 1 8 HIS H . 8 HIS H 1 1 77 1 2 1 1 8 HIS HB3 . 8 HIS HB3 1 1 78 1 1 1 1 8 HIS H . 8 HIS H 1 1 78 1 2 1 1 8 HIS HD2 . 8 HIS HD2 1 1 79 1 1 1 1 8 HIS H . 8 HIS H 1 1 79 1 2 1 1 9 LEU H . 9 LEU H 1 1 80 1 1 1 1 8 HIS H . 8 HIS H 1 1 80 1 2 1 1 10 MET H . 10 MET H 1 1 81 1 1 1 1 8 HIS HA . 8 HIS HA 1 1 81 1 2 1 1 9 LEU HG . 9 LEU HG 1 1 82 1 1 1 1 8 HIS QB . 8 HIS QB 1 1 82 1 2 1 1 8 HIS HD2 . 8 HIS HD2 1 1 83 1 1 1 1 8 HIS HB2 . 8 HIS HB2 1 1 83 1 2 1 1 8 HIS HD2 . 8 HIS HD2 1 1 84 1 1 1 1 8 HIS HB2 . 8 HIS HB2 1 1 84 1 2 1 1 9 LEU H . 9 LEU H 1 1 85 1 1 1 1 8 HIS HB3 . 8 HIS HB3 1 1 85 1 2 1 1 8 HIS HD2 . 8 HIS HD2 1 1 86 1 1 1 1 8 HIS HB3 . 8 HIS HB3 1 1 86 1 2 1 1 9 LEU H . 9 LEU H 1 1 87 1 1 1 1 9 LEU H . 9 LEU H 1 1 87 1 2 1 1 9 LEU HB2 . 9 LEU HB2 1 1 88 1 1 1 1 9 LEU H . 9 LEU H 1 1 88 1 2 1 1 9 LEU QB . 9 LEU QB 1 1 89 1 1 1 1 9 LEU H . 9 LEU H 1 1 89 1 2 1 1 9 LEU HB3 . 9 LEU HB3 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 H . 9 LEU H 1 1 93 1 2 1 1 10 MET H . 10 MET H 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 HA . 9 LEU HA 1 1 95 1 2 1 1 9 LEU HG . 9 LEU HG 1 1 96 1 1 1 1 9 LEU QB . 9 LEU QB 1 1 96 1 2 1 1 10 MET H . 10 MET H 1 1 97 1 1 1 1 9 LEU HB2 . 9 LEU HB2 1 1 97 1 2 1 1 10 MET H . 10 MET H 1 1 98 1 1 1 1 9 LEU HB2 . 9 LEU HB2 1 1 98 1 2 1 1 10 MET HA . 10 MET HA 1 1 99 1 1 1 1 9 LEU HB3 . 9 LEU HB3 1 1 99 1 2 1 1 10 MET H . 10 MET H 1 1 100 1 1 1 1 9 LEU HB3 . 9 LEU HB3 1 1 100 1 2 1 1 10 MET HA . 10 MET HA 1 1 101 1 1 1 1 9 LEU MD1 . 9 LEU QD1 1 1 101 1 2 1 1 10 MET H . 10 MET H 1 1 102 1 1 1 1 9 LEU MD2 . 9 LEU QD2 1 1 102 1 2 1 1 10 MET H . 10 MET H 1 1 103 1 1 1 1 10 MET H . 10 MET H 1 1 103 1 2 1 1 10 MET QB . 10 MET QB 1 1 104 1 1 1 1 10 MET H . 10 MET H 1 1 104 1 2 1 1 10 MET HG2 . 10 MET HG2 1 1 105 1 1 1 1 10 MET H . 10 MET H 1 1 105 1 2 1 1 10 MET QG . 10 MET QG 1 1 106 1 1 1 1 10 MET H . 10 MET H 1 1 106 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 . . . . . . . 4.49 1 1 2 1 . . . . . . . 4.82 1 1 3 1 . . . . . . . 4.71 1 1 4 1 . . . . . . . 5.12 1 1 5 1 . . . . . . . 4.25 1 1 6 1 . . . . . . . 4.62 1 1 7 1 . . . . . . . 5.04 1 1 8 1 . . . . . . . 5.34 1 1 9 1 . . . . . . . 5.46 1 1 10 1 . . . . . . . 5.5 1 1 11 1 . . . . . . . 4.01 1 1 12 1 . . . . . . . 4.67 1 1 13 1 . . . . . . . 4.54 1 1 14 1 . . . . . . . 4.25 1 1 15 1 . . . . . . . 4.96 1 1 16 1 . . . . . . . 3.83 1 1 17 1 . . . . . . . 4.85 1 1 18 1 . . . . . . . 5.5 1 1 19 1 . . . . . . . 3.96 1 1 20 1 . . . . . . . 3.85 1 1 21 1 . . . . . . . 4.8 1 1 22 1 . . . . . . . 3.81 1 1 23 1 . . . . . . . 3.17 1 1 24 1 . . . . . . . 3.59 1 1 25 1 . . . . . . . 4.81 1 1 26 1 . . . . . . . 4.3 1 1 27 1 . . . . . . . 5.18 1 1 28 1 . . . . . . . 2.95 1 1 29 1 . . . . . . . 5.47 1 1 30 1 . . . . . . . 2.76 1 1 31 1 . . . . . . . 3.62 1 1 32 1 . . . . . . . 3.86 1 1 33 1 . . . . . . . 5.5 1 1 34 1 . . . . . . . 4.31 1 1 35 1 . . . . . . . 4.52 1 1 36 1 . . . . . . . 2.93 1 1 37 1 . . . . . . . 4.49 1 1 38 1 . . . . . . . 3.07 1 1 39 1 . . . . . . . 3.38 1 1 40 1 . . . . . . . 4.28 1 1 41 1 . . . . . . . 4.92 1 1 42 1 . . . . . . . 4.01 1 1 43 1 . . . . . . . 3.8 1 1 44 1 . . . . . . . 4.27 1 1 45 1 . . . . . . . 3.24 1 1 46 1 . . . . . . . 3.77 1 1 47 1 . . . . . . . 3.65 1 1 48 1 . . . . . . . 4.24 1 1 49 1 . . . . . . . 3.98 1 1 50 1 . . . . . . . 4.31 1 1 51 1 . . . . . . . 3.28 1 1 52 1 . . . . . . . 4.23 1 1 53 1 . . . . . . . 3.34 1 1 54 1 . . . . . . . 3.69 1 1 55 1 . . . . . . . 4.62 1 1 56 1 . . . . . . . 3.38 1 1 57 1 . . . . . . . 3.06 1 1 58 1 . . . . . . . 3.89 1 1 59 1 . . . . . . . 4.47 1 1 60 1 . . . . . . . 3.86 1 1 61 1 . . . . . . . 4.47 1 1 62 1 . . . . . . . 3.63 1 1 63 1 . . . . . . . 4.55 1 1 64 1 . . . . . . . 4.72 1 1 65 1 . . . . . . . 3.73 1 1 66 1 . . . . . . . 4.22 1 1 67 1 . . . . . . . 5.32 1 1 68 1 . . . . . . . 4.68 1 1 69 1 . . . . . . . 4.68 1 1 70 1 . . . . . . . 4.37 1 1 71 1 . . . . . . . 2.77 1 1 72 1 . . . . . . . 4.0 1 1 73 1 . . . . . . . 4.82 1 1 74 1 . . . . . . . 5.27 1 1 75 1 . . . . . . . 3.64 1 1 76 1 . . . . . . . 3.15 1 1 77 1 . . . . . . . 3.64 1 1 78 1 . . . . . . . 5.5 1 1 79 1 . . . . . . . 3.93 1 1 80 1 . . . . . . . 4.53 1 1 81 1 . . . . . . . 5.5 1 1 82 1 . . . . . . . 3.38 1 1 83 1 . . . . . . . 3.89 1 1 84 1 . . . . . . . 4.01 1 1 85 1 . . . . . . . 3.89 1 1 86 1 . . . . . . . 4.01 1 1 87 1 . . . . . . . 3.78 1 1 88 1 . . . . . . . 3.16 1 1 89 1 . . . . . . . 3.78 1 1 90 1 . . . . . . . 4.55 1 1 91 1 . . . . . . . 4.72 1 1 92 1 . . . . . . . 3.61 1 1 93 1 . . . . . . . 3.63 1 1 94 1 . . . . . . . 3.23 1 1 95 1 . . . . . . . 3.9 1 1 96 1 . . . . . . . 3.88 1 1 97 1 . . . . . . . 4.41 1 1 98 1 . . . . . . . 5.04 1 1 99 1 . . . . . . . 4.41 1 1 100 1 . . . . . . . 5.04 1 1 101 1 . . . . . . . 5.24 1 1 102 1 . . . . . . . 5.5 1 1 103 1 . . . . . . . 3.51 1 1 104 1 . . . . . . . 4.61 1 1 105 1 . . . . . . . 4.05 1 1 106 1 . . . . . . . 4.61 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 1.703 8.469 -0.169 1.00 . A A . 1 GLY C 1 1 1 2 1 1 1 GLY CA C 2.444 9.779 -0.339 1.00 . A A . 1 GLY CA 1 1 1 3 1 1 1 GLY H1 H 1.861 11.556 0.496 1.00 . A A . 1 GLY H1 1 1 1 4 1 1 1 GLY H2 H 3.219 10.844 1.230 1.00 . A A . 1 GLY H2 1 1 1 5 1 1 1 GLY H3 H 1.667 10.208 1.505 1.00 . A A . 1 GLY H3 1 1 1 6 1 1 1 GLY HA2 H 2.065 10.285 -1.227 1.00 . A A . 1 GLY HA2 1 1 1 7 1 1 1 GLY HA3 H 3.505 9.568 -0.478 1.00 . A A . 1 GLY HA3 1 1 1 8 1 1 1 GLY N N 2.287 10.659 0.804 1.00 . A A . 1 GLY N 1 1 1 9 1 1 1 GLY O O 1.383 8.071 0.950 1.00 . A A . 1 GLY O 1 1 1 10 1 1 2 ASN C C 1.636 5.398 -0.796 1.00 . A A . 2 ASN C 1 1 1 11 1 1 2 ASN CA C 0.714 6.526 -1.252 1.00 . A A . 2 ASN CA 1 1 1 12 1 1 2 ASN CB C 0.142 6.204 -2.633 1.00 . A A . 2 ASN CB 1 1 1 13 1 1 2 ASN CG C -0.988 5.194 -2.570 1.00 . A A . 2 ASN CG 1 1 1 14 1 1 2 ASN H H 1.718 8.183 -2.181 1.00 . A A . 2 ASN H 1 1 1 15 1 1 2 ASN HA H -0.115 6.607 -0.546 1.00 . A A . 2 ASN HA 1 1 1 16 1 1 2 ASN HB2 H -0.235 7.125 -3.078 1.00 . A A . 2 ASN HB2 1 1 1 17 1 1 2 ASN HB3 H 0.936 5.804 -3.266 1.00 . A A . 2 ASN HB3 1 1 1 18 1 1 2 ASN HD21 H -2.040 6.394 -1.289 1.00 . A A . 2 ASN HD21 1 1 1 19 1 1 2 ASN HD22 H -2.803 4.859 -1.719 1.00 . A A . 2 ASN HD22 1 1 1 20 1 1 2 ASN N N 1.427 7.798 -1.282 1.00 . A A . 2 ASN N 1 1 1 21 1 1 2 ASN ND2 N -2.022 5.510 -1.799 1.00 . A A . 2 ASN ND2 1 1 1 22 1 1 2 ASN O O 2.264 4.726 -1.614 1.00 . A A . 2 ASN O 1 1 1 23 1 1 2 ASN OD1 O -0.932 4.143 -3.207 1.00 . A A . 2 ASN OD1 1 1 1 24 1 1 3 HIS C C 1.709 3.085 1.774 1.00 . A A . 3 HIS C 1 1 1 25 1 1 3 HIS CA C 2.554 4.149 1.081 1.00 . A A . 3 HIS CA 1 1 1 26 1 1 3 HIS CB C 3.555 4.749 2.070 1.00 . A A . 3 HIS CB 1 1 1 27 1 1 3 HIS CD2 C 5.822 3.493 1.907 1.00 . A A . 3 HIS CD2 1 1 1 28 1 1 3 HIS CE1 C 5.631 2.291 3.725 1.00 . A A . 3 HIS CE1 1 1 1 29 1 1 3 HIS CG C 4.630 3.788 2.498 1.00 . A A . 3 HIS CG 1 1 1 30 1 1 3 HIS H H 1.164 5.785 1.143 1.00 . A A . 3 HIS H 1 1 1 31 1 1 3 HIS HA H 3.126 3.663 0.288 1.00 . A A . 3 HIS HA 1 1 1 32 1 1 3 HIS HB2 H 4.025 5.617 1.609 1.00 . A A . 3 HIS HB2 1 1 1 33 1 1 3 HIS HB3 H 3.007 5.074 2.956 1.00 . A A . 3 HIS HB3 1 1 1 34 1 1 3 HIS HD1 H 3.749 3.012 4.305 1.00 . A A . 3 HIS HD1 1 1 1 35 1 1 3 HIS HD2 H 6.111 3.760 0.903 1.00 . A A . 3 HIS HD2 1 1 1 36 1 1 3 HIS HE1 H 5.843 1.590 4.519 1.00 . A A . 3 HIS HE1 1 1 1 37 1 1 3 HIS N N 1.711 5.196 0.516 1.00 . A A . 3 HIS N 1 1 1 38 1 1 3 HIS ND1 N 4.526 3.018 3.645 1.00 . A A . 3 HIS ND1 1 1 1 39 1 1 3 HIS NE2 N 6.443 2.543 2.698 1.00 . A A . 3 HIS NE2 1 1 1 40 1 1 3 HIS O O 2.073 1.910 1.803 1.00 . A A . 3 HIS O 1 1 1 41 1 1 4 TRP C C -0.843 1.518 2.076 1.00 . A A . 4 TRP C 1 1 1 42 1 1 4 TRP CA C -0.318 2.588 3.026 1.00 . A A . 4 TRP CA 1 1 1 43 1 1 4 TRP CB C -1.486 3.356 3.646 1.00 . A A . 4 TRP CB 1 1 1 44 1 1 4 TRP CD1 C -1.927 3.054 6.152 1.00 . A A . 4 TRP CD1 1 1 1 45 1 1 4 TRP CD2 C -2.894 1.505 4.854 1.00 . A A . 4 TRP CD2 1 1 1 46 1 1 4 TRP CE2 C -3.212 1.227 6.198 1.00 . A A . 4 TRP CE2 1 1 1 47 1 1 4 TRP CE3 C -3.392 0.664 3.855 1.00 . A A . 4 TRP CE3 1 1 1 48 1 1 4 TRP CG C -2.072 2.677 4.848 1.00 . A A . 4 TRP CG 1 1 1 49 1 1 4 TRP CH2 C -4.479 -0.664 5.567 1.00 . A A . 4 TRP CH2 1 1 1 50 1 1 4 TRP CZ2 C -4.005 0.143 6.566 1.00 . A A . 4 TRP CZ2 1 1 1 51 1 1 4 TRP CZ3 C -4.179 -0.411 4.223 1.00 . A A . 4 TRP CZ3 1 1 1 52 1 1 4 TRP H H 0.332 4.493 2.276 1.00 . A A . 4 TRP H 1 1 1 53 1 1 4 TRP HA H 0.241 2.099 3.823 1.00 . A A . 4 TRP HA 1 1 1 54 1 1 4 TRP HB2 H -1.124 4.336 3.955 1.00 . A A . 4 TRP HB2 1 1 1 55 1 1 4 TRP HB3 H -2.269 3.496 2.897 1.00 . A A . 4 TRP HB3 1 1 1 56 1 1 4 TRP HD1 H -1.360 3.908 6.491 1.00 . A A . 4 TRP HD1 1 1 1 57 1 1 4 TRP HE1 H -2.668 2.235 7.988 1.00 . A A . 4 TRP HE1 1 1 1 58 1 1 4 TRP HE3 H -3.180 0.854 2.818 1.00 . A A . 4 TRP HE3 1 1 1 59 1 1 4 TRP HH2 H -5.098 -1.512 5.823 1.00 . A A . 4 TRP HH2 1 1 1 60 1 1 4 TRP HZ2 H -4.238 -0.055 7.601 1.00 . A A . 4 TRP HZ2 1 1 1 61 1 1 4 TRP HZ3 H -4.567 -1.065 3.456 1.00 . A A . 4 TRP HZ3 1 1 1 62 1 1 4 TRP N N 0.579 3.505 2.333 1.00 . A A . 4 TRP N 1 1 1 63 1 1 4 TRP NE1 N -2.611 2.185 6.970 1.00 . A A . 4 TRP NE1 1 1 1 64 1 1 4 TRP O O -0.886 0.337 2.419 1.00 . A A . 4 TRP O 1 1 1 65 1 1 5 ALA C C -0.731 -0.050 -0.474 1.00 . A A . 5 ALA C 1 1 1 66 1 1 5 ALA CA C -1.764 1.015 -0.119 1.00 . A A . 5 ALA CA 1 1 1 67 1 1 5 ALA CB C -2.190 1.775 -1.368 1.00 . A A . 5 ALA CB 1 1 1 68 1 1 5 ALA H H -1.186 2.932 0.658 1.00 . A A . 5 ALA H 1 1 1 69 1 1 5 ALA HA H -2.641 0.520 0.297 1.00 . A A . 5 ALA HA 1 1 1 70 1 1 5 ALA HB1 H -2.730 1.105 -2.039 1.00 . A A . 5 ALA HB1 1 1 1 71 1 1 5 ALA HB2 H -1.305 2.161 -1.874 1.00 . A A . 5 ALA HB2 1 1 1 72 1 1 5 ALA HB3 H -2.839 2.604 -1.087 1.00 . A A . 5 ALA HB3 1 1 1 73 1 1 5 ALA N N -1.244 1.939 0.881 1.00 . A A . 5 ALA N 1 1 1 74 1 1 5 ALA O O -1.075 -1.210 -0.700 1.00 . A A . 5 ALA O 1 1 1 75 1 1 6 VAL C C 1.635 -1.755 0.108 1.00 . A A . 6 VAL C 1 1 1 76 1 1 6 VAL CA C 1.619 -0.569 -0.848 1.00 . A A . 6 VAL CA 1 1 1 77 1 1 6 VAL CB C 2.984 0.137 -0.801 1.00 . A A . 6 VAL CB 1 1 1 78 1 1 6 VAL CG1 C 4.101 -0.839 -1.145 1.00 . A A . 6 VAL CG1 1 1 1 79 1 1 6 VAL CG2 C 3.002 1.331 -1.743 1.00 . A A . 6 VAL CG2 1 1 1 80 1 1 6 VAL H H 0.753 1.329 -0.325 1.00 . A A . 6 VAL H 1 1 1 81 1 1 6 VAL HA H 1.475 -0.943 -1.855 1.00 . A A . 6 VAL HA 1 1 1 82 1 1 6 VAL HB H 3.147 0.495 0.216 1.00 . A A . 6 VAL HB 1 1 1 83 1 1 6 VAL HG11 H 3.837 -1.373 -2.057 1.00 . A A . 6 VAL HG11 1 1 1 84 1 1 6 VAL HG12 H 4.234 -1.552 -0.331 1.00 . A A . 6 VAL HG12 1 1 1 85 1 1 6 VAL HG13 H 5.030 -0.291 -1.301 1.00 . A A . 6 VAL HG13 1 1 1 86 1 1 6 VAL HG21 H 3.984 1.804 -1.717 1.00 . A A . 6 VAL HG21 1 1 1 87 1 1 6 VAL HG22 H 2.243 2.052 -1.437 1.00 . A A . 6 VAL HG22 1 1 1 88 1 1 6 VAL HG23 H 2.790 0.988 -2.756 1.00 . A A . 6 VAL HG23 1 1 1 89 1 1 6 VAL N N 0.534 0.353 -0.522 1.00 . A A . 6 VAL N 1 1 1 90 1 1 6 VAL O O 2.014 -2.864 -0.269 1.00 . A A . 6 VAL O 1 1 1 91 1 1 7 GLY C C 0.248 -3.693 1.973 1.00 . A A . 7 GLY C 1 1 1 92 1 1 7 GLY CA C 1.202 -2.574 2.341 1.00 . A A . 7 GLY CA 1 1 1 93 1 1 7 GLY H H 0.923 -0.576 1.608 1.00 . A A . 7 GLY H 1 1 1 94 1 1 7 GLY HA2 H 2.207 -2.985 2.442 1.00 . A A . 7 GLY HA2 1 1 1 95 1 1 7 GLY HA3 H 0.895 -2.151 3.298 1.00 . A A . 7 GLY HA3 1 1 1 96 1 1 7 GLY N N 1.225 -1.516 1.350 1.00 . A A . 7 GLY N 1 1 1 97 1 1 7 GLY O O 0.506 -4.861 2.267 1.00 . A A . 7 GLY O 1 1 1 98 1 1 8 HIS C C -1.430 -5.027 -0.362 1.00 . A A . 8 HIS C 1 1 1 99 1 1 8 HIS CA C -1.857 -4.319 0.921 1.00 . A A . 8 HIS CA 1 1 1 100 1 1 8 HIS CB C -3.214 -3.648 0.719 1.00 . A A . 8 HIS CB 1 1 1 101 1 1 8 HIS CD2 C -4.416 -5.886 1.257 1.00 . A A . 8 HIS CD2 1 1 1 102 1 1 8 HIS CE1 C -6.468 -5.221 0.878 1.00 . A A . 8 HIS CE1 1 1 1 103 1 1 8 HIS CG C -4.386 -4.576 0.881 1.00 . A A . 8 HIS CG 1 1 1 104 1 1 8 HIS H H -1.018 -2.352 1.117 1.00 . A A . 8 HIS H 1 1 1 105 1 1 8 HIS HA H -1.952 -5.057 1.716 1.00 . A A . 8 HIS HA 1 1 1 106 1 1 8 HIS HB2 H -3.313 -2.850 1.452 1.00 . A A . 8 HIS HB2 1 1 1 107 1 1 8 HIS HB3 H -3.249 -3.208 -0.281 1.00 . A A . 8 HIS HB3 1 1 1 108 1 1 8 HIS HD1 H -5.996 -3.248 0.349 1.00 . A A . 8 HIS HD1 1 1 1 109 1 1 8 HIS HD2 H -3.585 -6.571 1.198 1.00 . A A . 8 HIS HD2 1 1 1 110 1 1 8 HIS HE1 H -7.543 -5.216 0.779 1.00 . A A . 8 HIS HE1 1 1 1 111 1 1 8 HIS N N -0.860 -3.337 1.329 1.00 . A A . 8 HIS N 1 1 1 112 1 1 8 HIS ND1 N -5.691 -4.175 0.646 1.00 . A A . 8 HIS ND1 1 1 1 113 1 1 8 HIS NE2 N -5.742 -6.278 1.250 1.00 . A A . 8 HIS NE2 1 1 1 114 1 1 8 HIS O O -1.812 -6.171 -0.609 1.00 . A A . 8 HIS O 1 1 1 115 1 1 9 LEU C C 0.996 -5.871 -2.191 1.00 . A A . 9 LEU C 1 1 1 116 1 1 9 LEU CA C -0.156 -4.900 -2.432 1.00 . A A . 9 LEU CA 1 1 1 117 1 1 9 LEU CB C 0.292 -3.783 -3.375 1.00 . A A . 9 LEU CB 1 1 1 118 1 1 9 LEU CD1 C -0.211 -1.456 -4.160 1.00 . A A . 9 LEU CD1 1 1 1 119 1 1 9 LEU CD2 C -1.525 -3.386 -5.057 1.00 . A A . 9 LEU CD2 1 1 1 120 1 1 9 LEU CG C -0.801 -2.821 -3.843 1.00 . A A . 9 LEU CG 1 1 1 121 1 1 9 LEU H H -0.356 -3.394 -0.913 1.00 . A A . 9 LEU H 1 1 1 122 1 1 9 LEU HA H -0.974 -5.439 -2.913 1.00 . A A . 9 LEU HA 1 1 1 123 1 1 9 LEU HB2 H 1.057 -3.211 -2.847 1.00 . A A . 9 LEU HB2 1 1 1 124 1 1 9 LEU HB3 H 0.753 -4.242 -4.253 1.00 . A A . 9 LEU HB3 1 1 1 125 1 1 9 LEU HD11 H -0.778 -0.991 -4.971 1.00 . A A . 9 LEU HD11 1 1 1 126 1 1 9 LEU HD12 H 0.831 -1.551 -4.469 1.00 . A A . 9 LEU HD12 1 1 1 127 1 1 9 LEU HD13 H -0.271 -0.812 -3.284 1.00 . A A . 9 LEU HD13 1 1 1 128 1 1 9 LEU HD21 H -2.350 -2.728 -5.330 1.00 . A A . 9 LEU HD21 1 1 1 129 1 1 9 LEU HD22 H -1.911 -4.379 -4.829 1.00 . A A . 9 LEU HD22 1 1 1 130 1 1 9 LEU HD23 H -0.824 -3.451 -5.889 1.00 . A A . 9 LEU HD23 1 1 1 131 1 1 9 LEU HG H -1.524 -2.715 -3.030 1.00 . A A . 9 LEU HG 1 1 1 132 1 1 9 LEU N N -0.636 -4.339 -1.174 1.00 . A A . 9 LEU N 1 1 1 133 1 1 9 LEU O O 0.923 -7.041 -2.564 1.00 . A A . 9 LEU O 1 1 1 134 1 1 10 MET C C 3.692 -5.990 0.166 1.00 . A A . 10 MET C 1 1 1 135 1 1 10 MET CA C 3.224 -6.201 -1.271 1.00 . A A . 10 MET CA 1 1 1 136 1 1 10 MET CB C 4.362 -5.876 -2.241 1.00 . A A . 10 MET CB 1 1 1 137 1 1 10 MET CE C 7.456 -3.756 -2.143 1.00 . A A . 10 MET CE 1 1 1 138 1 1 10 MET CG C 4.764 -4.410 -2.238 1.00 . A A . 10 MET CG 1 1 1 139 1 1 10 MET H H 2.058 -4.396 -1.282 1.00 . A A . 10 MET H 1 1 1 140 1 1 10 MET HA H 2.963 -7.256 -1.384 1.00 . A A . 10 MET HA 1 1 1 141 1 1 10 MET HB2 H 5.234 -6.466 -1.961 1.00 . A A . 10 MET HB2 1 1 1 142 1 1 10 MET HB3 H 4.050 -6.167 -3.247 1.00 . A A . 10 MET HB3 1 1 1 143 1 1 10 MET HE1 H 7.243 -2.888 -2.766 1.00 . A A . 10 MET HE1 1 1 1 144 1 1 10 MET HE2 H 7.608 -4.629 -2.778 1.00 . A A . 10 MET HE2 1 1 1 145 1 1 10 MET HE3 H 8.357 -3.572 -1.558 1.00 . A A . 10 MET HE3 1 1 1 146 1 1 10 MET HG2 H 5.116 -4.128 -3.232 1.00 . A A . 10 MET HG2 1 1 1 147 1 1 10 MET HG3 H 3.886 -3.807 -1.995 1.00 . A A . 10 MET HG3 1 1 1 148 1 1 10 MET N N 2.058 -5.376 -1.565 1.00 . A A . 10 MET N 1 1 1 149 1 1 10 MET O O 3.970 -6.974 0.830 1.00 . A A . 10 MET O 1 1 1 150 1 1 10 MET SD S 6.069 -4.050 -1.048 1.00 . A A . 10 MET SD 1 1 2 151 1 1 1 GLY C C 0.402 8.682 0.433 1.00 . A A . 1 GLY C 1 1 2 152 1 1 1 GLY CA C 1.354 9.846 0.624 1.00 . A A . 1 GLY CA 1 1 2 153 1 1 1 GLY H1 H 2.395 10.717 2.159 1.00 . A A . 1 GLY H1 1 1 2 154 1 1 1 GLY H2 H 2.911 9.149 1.757 1.00 . A A . 1 GLY H2 1 1 2 155 1 1 1 GLY H3 H 1.462 9.377 2.613 1.00 . A A . 1 GLY H3 1 1 2 156 1 1 1 GLY HA2 H 0.785 10.775 0.605 1.00 . A A . 1 GLY HA2 1 1 2 157 1 1 1 GLY HA3 H 2.070 9.854 -0.198 1.00 . A A . 1 GLY HA3 1 1 2 158 1 1 1 GLY N N 2.082 9.767 1.877 1.00 . A A . 1 GLY N 1 1 2 159 1 1 1 GLY O O -0.675 8.650 1.025 1.00 . A A . 1 GLY O 1 1 2 160 1 1 2 ASN C C 0.749 5.268 -0.407 1.00 . A A . 2 ASN C 1 1 2 161 1 1 2 ASN CA C -0.027 6.555 -0.670 1.00 . A A . 2 ASN CA 1 1 2 162 1 1 2 ASN CB C -0.523 6.578 -2.118 1.00 . A A . 2 ASN CB 1 1 2 163 1 1 2 ASN CG C 0.615 6.570 -3.119 1.00 . A A . 2 ASN CG 1 1 2 164 1 1 2 ASN H H 1.704 7.812 -0.863 1.00 . A A . 2 ASN H 1 1 2 165 1 1 2 ASN HA H -0.898 6.558 -0.008 1.00 . A A . 2 ASN HA 1 1 2 166 1 1 2 ASN HB2 H -1.155 5.707 -2.292 1.00 . A A . 2 ASN HB2 1 1 2 167 1 1 2 ASN HB3 H -1.114 7.481 -2.269 1.00 . A A . 2 ASN HB3 1 1 2 168 1 1 2 ASN HD21 H 0.754 4.533 -3.002 1.00 . A A . 2 ASN HD21 1 1 2 169 1 1 2 ASN HD22 H 1.899 5.328 -4.088 1.00 . A A . 2 ASN HD22 1 1 2 170 1 1 2 ASN N N 0.800 7.725 -0.400 1.00 . A A . 2 ASN N 1 1 2 171 1 1 2 ASN ND2 N 1.127 5.384 -3.423 1.00 . A A . 2 ASN ND2 1 1 2 172 1 1 2 ASN O O 0.463 4.226 -0.998 1.00 . A A . 2 ASN O 1 1 2 173 1 1 2 ASN OD1 O 1.030 7.619 -3.613 1.00 . A A . 2 ASN OD1 1 1 2 174 1 1 3 HIS C C 1.726 3.147 1.579 1.00 . A A . 3 HIS C 1 1 2 175 1 1 3 HIS CA C 2.549 4.189 0.828 1.00 . A A . 3 HIS CA 1 1 2 176 1 1 3 HIS CB C 3.749 4.616 1.672 1.00 . A A . 3 HIS CB 1 1 2 177 1 1 3 HIS CD2 C 5.372 2.610 1.384 1.00 . A A . 3 HIS CD2 1 1 2 178 1 1 3 HIS CE1 C 5.572 2.080 3.499 1.00 . A A . 3 HIS CE1 1 1 2 179 1 1 3 HIS CG C 4.613 3.470 2.120 1.00 . A A . 3 HIS CG 1 1 2 180 1 1 3 HIS H H 1.917 6.240 0.943 1.00 . A A . 3 HIS H 1 1 2 181 1 1 3 HIS HA H 2.923 3.739 -0.091 1.00 . A A . 3 HIS HA 1 1 2 182 1 1 3 HIS HB2 H 4.360 5.306 1.091 1.00 . A A . 3 HIS HB2 1 1 2 183 1 1 3 HIS HB3 H 3.377 5.137 2.556 1.00 . A A . 3 HIS HB3 1 1 2 184 1 1 3 HIS HD1 H 4.307 3.574 4.249 1.00 . A A . 3 HIS HD1 1 1 2 185 1 1 3 HIS HD2 H 5.318 2.477 0.313 1.00 . A A . 3 HIS HD2 1 1 2 186 1 1 3 HIS HE1 H 5.873 1.581 4.408 1.00 . A A . 3 HIS HE1 1 1 2 187 1 1 3 HIS N N 1.732 5.348 0.484 1.00 . A A . 3 HIS N 1 1 2 188 1 1 3 HIS ND1 N 4.752 3.119 3.453 1.00 . A A . 3 HIS ND1 1 1 2 189 1 1 3 HIS NE2 N 5.973 1.736 2.273 1.00 . A A . 3 HIS NE2 1 1 2 190 1 1 3 HIS O O 1.996 1.950 1.494 1.00 . A A . 3 HIS O 1 1 2 191 1 1 4 TRP C C -0.778 1.670 2.178 1.00 . A A . 4 TRP C 1 1 2 192 1 1 4 TRP CA C -0.141 2.720 3.081 1.00 . A A . 4 TRP CA 1 1 2 193 1 1 4 TRP CB C -1.228 3.521 3.799 1.00 . A A . 4 TRP CB 1 1 2 194 1 1 4 TRP CD1 C -1.316 3.268 6.348 1.00 . A A . 4 TRP CD1 1 1 2 195 1 1 4 TRP CD2 C -2.566 1.783 5.231 1.00 . A A . 4 TRP CD2 1 1 2 196 1 1 4 TRP CE2 C -2.701 1.536 6.612 1.00 . A A . 4 TRP CE2 1 1 2 197 1 1 4 TRP CE3 C -3.263 0.971 4.331 1.00 . A A . 4 TRP CE3 1 1 2 198 1 1 4 TRP CG C -1.676 2.893 5.084 1.00 . A A . 4 TRP CG 1 1 2 199 1 1 4 TRP CH2 C -4.174 -0.265 6.206 1.00 . A A . 4 TRP CH2 1 1 2 200 1 1 4 TRP CZ2 C -3.504 0.514 7.110 1.00 . A A . 4 TRP CZ2 1 1 2 201 1 1 4 TRP CZ3 C -4.058 -0.043 4.827 1.00 . A A . 4 TRP CZ3 1 1 2 202 1 1 4 TRP H H 0.550 4.616 2.343 1.00 . A A . 4 TRP H 1 1 2 203 1 1 4 TRP HA H 0.471 2.211 3.826 1.00 . A A . 4 TRP HA 1 1 2 204 1 1 4 TRP HB2 H -0.827 4.507 4.028 1.00 . A A . 4 TRP HB2 1 1 2 205 1 1 4 TRP HB3 H -2.091 3.641 3.140 1.00 . A A . 4 TRP HB3 1 1 2 206 1 1 4 TRP HD1 H -0.648 4.082 6.586 1.00 . A A . 4 TRP HD1 1 1 2 207 1 1 4 TRP HE1 H -1.833 2.514 8.284 1.00 . A A . 4 TRP HE1 1 1 2 208 1 1 4 TRP HE3 H -3.176 1.137 3.267 1.00 . A A . 4 TRP HE3 1 1 2 209 1 1 4 TRP HH2 H -4.804 -1.066 6.565 1.00 . A A . 4 TRP HH2 1 1 2 210 1 1 4 TRP HZ2 H -3.595 0.340 8.172 1.00 . A A . 4 TRP HZ2 1 1 2 211 1 1 4 TRP HZ3 H -4.598 -0.672 4.135 1.00 . A A . 4 TRP HZ3 1 1 2 212 1 1 4 TRP N N 0.722 3.612 2.314 1.00 . A A . 4 TRP N 1 1 2 213 1 1 4 TRP NE1 N -1.929 2.455 7.270 1.00 . A A . 4 TRP NE1 1 1 2 214 1 1 4 TRP O O -0.929 0.512 2.568 1.00 . A A . 4 TRP O 1 1 2 215 1 1 5 ALA C C -0.818 0.040 -0.364 1.00 . A A . 5 ALA C 1 1 2 216 1 1 5 ALA CA C -1.768 1.172 0.012 1.00 . A A . 5 ALA CA 1 1 2 217 1 1 5 ALA CB C -2.203 1.935 -1.231 1.00 . A A . 5 ALA CB 1 1 2 218 1 1 5 ALA H H -0.998 3.054 0.706 1.00 . A A . 5 ALA H 1 1 2 219 1 1 5 ALA HA H -2.654 0.738 0.474 1.00 . A A . 5 ALA HA 1 1 2 220 1 1 5 ALA HB1 H -2.601 1.237 -1.967 1.00 . A A . 5 ALA HB1 1 1 2 221 1 1 5 ALA HB2 H -1.343 2.456 -1.652 1.00 . A A . 5 ALA HB2 1 1 2 222 1 1 5 ALA HB3 H -2.973 2.659 -0.964 1.00 . A A . 5 ALA HB3 1 1 2 223 1 1 5 ALA N N -1.150 2.080 0.970 1.00 . A A . 5 ALA N 1 1 2 224 1 1 5 ALA O O -1.248 -1.084 -0.623 1.00 . A A . 5 ALA O 1 1 2 225 1 1 6 VAL C C 1.468 -1.814 0.246 1.00 . A A . 6 VAL C 1 1 2 226 1 1 6 VAL CA C 1.488 -0.649 -0.737 1.00 . A A . 6 VAL CA 1 1 2 227 1 1 6 VAL CB C 2.894 -0.030 -0.758 1.00 . A A . 6 VAL CB 1 1 2 228 1 1 6 VAL CG1 C 3.934 -1.078 -1.130 1.00 . A A . 6 VAL CG1 1 1 2 229 1 1 6 VAL CG2 C 2.947 1.148 -1.720 1.00 . A A . 6 VAL CG2 1 1 2 230 1 1 6 VAL H H 0.768 1.294 -0.166 1.00 . A A . 6 VAL H 1 1 2 231 1 1 6 VAL HA H 1.279 -1.037 -1.725 1.00 . A A . 6 VAL HA 1 1 2 232 1 1 6 VAL HB H 3.126 0.328 0.244 1.00 . A A . 6 VAL HB 1 1 2 233 1 1 6 VAL HG11 H 4.890 -0.591 -1.325 1.00 . A A . 6 VAL HG11 1 1 2 234 1 1 6 VAL HG12 H 3.603 -1.601 -2.027 1.00 . A A . 6 VAL HG12 1 1 2 235 1 1 6 VAL HG13 H 4.050 -1.792 -0.315 1.00 . A A . 6 VAL HG13 1 1 2 236 1 1 6 VAL HG21 H 2.213 1.896 -1.424 1.00 . A A . 6 VAL HG21 1 1 2 237 1 1 6 VAL HG22 H 2.722 0.795 -2.726 1.00 . A A . 6 VAL HG22 1 1 2 238 1 1 6 VAL HG23 H 3.944 1.590 -1.705 1.00 . A A . 6 VAL HG23 1 1 2 239 1 1 6 VAL N N 0.475 0.344 -0.393 1.00 . A A . 6 VAL N 1 1 2 240 1 1 6 VAL O O 1.868 -2.929 -0.089 1.00 . A A . 6 VAL O 1 1 2 241 1 1 7 GLY C C 0.128 -3.784 2.032 1.00 . A A . 7 GLY C 1 1 2 242 1 1 7 GLY CA C 0.943 -2.585 2.477 1.00 . A A . 7 GLY CA 1 1 2 243 1 1 7 GLY H H 0.685 -0.605 1.686 1.00 . A A . 7 GLY H 1 1 2 244 1 1 7 GLY HA2 H 1.957 -2.913 2.708 1.00 . A A . 7 GLY HA2 1 1 2 245 1 1 7 GLY HA3 H 0.494 -2.169 3.378 1.00 . A A . 7 GLY HA3 1 1 2 246 1 1 7 GLY N N 1.004 -1.549 1.463 1.00 . A A . 7 GLY N 1 1 2 247 1 1 7 GLY O O 0.368 -4.906 2.477 1.00 . A A . 7 GLY O 1 1 2 248 1 1 8 HIS C C -1.075 -5.269 -0.585 1.00 . A A . 8 HIS C 1 1 2 249 1 1 8 HIS CA C -1.693 -4.616 0.648 1.00 . A A . 8 HIS CA 1 1 2 250 1 1 8 HIS CB C -3.082 -4.071 0.309 1.00 . A A . 8 HIS CB 1 1 2 251 1 1 8 HIS CD2 C -4.806 -2.949 1.894 1.00 . A A . 8 HIS CD2 1 1 2 252 1 1 8 HIS CE1 C -4.978 -4.576 3.350 1.00 . A A . 8 HIS CE1 1 1 2 253 1 1 8 HIS CG C -3.989 -3.967 1.505 1.00 . A A . 8 HIS CG 1 1 2 254 1 1 8 HIS H H -0.992 -2.593 0.823 1.00 . A A . 8 HIS H 1 1 2 255 1 1 8 HIS HA H -1.804 -5.381 1.423 1.00 . A A . 8 HIS HA 1 1 2 256 1 1 8 HIS HB2 H -2.966 -3.080 -0.126 1.00 . A A . 8 HIS HB2 1 1 2 257 1 1 8 HIS HB3 H -3.559 -4.724 -0.428 1.00 . A A . 8 HIS HB3 1 1 2 258 1 1 8 HIS HD1 H -3.626 -5.882 2.422 1.00 . A A . 8 HIS HD1 1 1 2 259 1 1 8 HIS HD2 H -4.781 -1.940 1.511 1.00 . A A . 8 HIS HD2 1 1 2 260 1 1 8 HIS HE1 H -5.281 -5.158 4.208 1.00 . A A . 8 HIS HE1 1 1 2 261 1 1 8 HIS N N -0.839 -3.547 1.152 1.00 . A A . 8 HIS N 1 1 2 262 1 1 8 HIS ND1 N -4.111 -4.985 2.436 1.00 . A A . 8 HIS ND1 1 1 2 263 1 1 8 HIS NE2 N -5.425 -3.350 3.064 1.00 . A A . 8 HIS NE2 1 1 2 264 1 1 8 HIS O O -0.981 -6.494 -0.671 1.00 . A A . 8 HIS O 1 1 2 265 1 1 9 LEU C C 1.143 -5.843 -2.459 1.00 . A A . 9 LEU C 1 1 2 266 1 1 9 LEU CA C -0.046 -4.940 -2.767 1.00 . A A . 9 LEU CA 1 1 2 267 1 1 9 LEU CB C 0.401 -3.771 -3.647 1.00 . A A . 9 LEU CB 1 1 2 268 1 1 9 LEU CD1 C -0.103 -1.478 -4.527 1.00 . A A . 9 LEU CD1 1 1 2 269 1 1 9 LEU CD2 C -1.517 -3.421 -5.222 1.00 . A A . 9 LEU CD2 1 1 2 270 1 1 9 LEU CG C -0.700 -2.809 -4.095 1.00 . A A . 9 LEU CG 1 1 2 271 1 1 9 LEU H H -0.764 -3.437 -1.408 1.00 . A A . 9 LEU H 1 1 2 272 1 1 9 LEU HA H -0.786 -5.519 -3.312 1.00 . A A . 9 LEU HA 1 1 2 273 1 1 9 LEU HB2 H 1.147 -3.206 -3.089 1.00 . A A . 9 LEU HB2 1 1 2 274 1 1 9 LEU HB3 H 0.880 -4.182 -4.538 1.00 . A A . 9 LEU HB3 1 1 2 275 1 1 9 LEU HD11 H 0.800 -1.658 -5.111 1.00 . A A . 9 LEU HD11 1 1 2 276 1 1 9 LEU HD12 H 0.142 -0.878 -3.660 1.00 . A A . 9 LEU HD12 1 1 2 277 1 1 9 LEU HD13 H -0.822 -0.932 -5.139 1.00 . A A . 9 LEU HD13 1 1 2 278 1 1 9 LEU HD21 H -2.018 -4.324 -4.878 1.00 . A A . 9 LEU HD21 1 1 2 279 1 1 9 LEU HD22 H -0.851 -3.669 -6.049 1.00 . A A . 9 LEU HD22 1 1 2 280 1 1 9 LEU HD23 H -2.266 -2.706 -5.564 1.00 . A A . 9 LEU HD23 1 1 2 281 1 1 9 LEU HG H -1.360 -2.632 -3.243 1.00 . A A . 9 LEU HG 1 1 2 282 1 1 9 LEU N N -0.655 -4.443 -1.538 1.00 . A A . 9 LEU N 1 1 2 283 1 1 9 LEU O O 1.334 -6.875 -3.101 1.00 . A A . 9 LEU O 1 1 2 284 1 1 10 MET C C 2.702 -7.430 -0.233 1.00 . A A . 10 MET C 1 1 2 285 1 1 10 MET CA C 3.109 -6.225 -1.076 1.00 . A A . 10 MET CA 1 1 2 286 1 1 10 MET CB C 4.089 -5.348 -0.293 1.00 . A A . 10 MET CB 1 1 2 287 1 1 10 MET CE C 7.093 -6.326 1.985 1.00 . A A . 10 MET CE 1 1 2 288 1 1 10 MET CG C 5.501 -5.909 -0.244 1.00 . A A . 10 MET CG 1 1 2 289 1 1 10 MET H H 1.727 -4.583 -0.975 1.00 . A A . 10 MET H 1 1 2 290 1 1 10 MET HA H 3.605 -6.581 -1.978 1.00 . A A . 10 MET HA 1 1 2 291 1 1 10 MET HB2 H 4.110 -4.361 -0.758 1.00 . A A . 10 MET HB2 1 1 2 292 1 1 10 MET HB3 H 3.723 -5.241 0.731 1.00 . A A . 10 MET HB3 1 1 2 293 1 1 10 MET HE1 H 6.774 -5.362 2.379 1.00 . A A . 10 MET HE1 1 1 2 294 1 1 10 MET HE2 H 7.404 -6.970 2.808 1.00 . A A . 10 MET HE2 1 1 2 295 1 1 10 MET HE3 H 7.929 -6.181 1.301 1.00 . A A . 10 MET HE3 1 1 2 296 1 1 10 MET HG2 H 5.726 -6.405 -1.186 1.00 . A A . 10 MET HG2 1 1 2 297 1 1 10 MET HG3 H 6.205 -5.084 -0.110 1.00 . A A . 10 MET HG3 1 1 2 298 1 1 10 MET N N 1.939 -5.448 -1.471 1.00 . A A . 10 MET N 1 1 2 299 1 1 10 MET O O 3.326 -8.469 -0.375 1.00 . A A . 10 MET O 1 1 2 300 1 1 10 MET SD S 5.735 -7.088 1.100 1.00 . A A . 10 MET SD 1 1 3 301 1 1 1 GLY C C 1.018 8.071 -0.409 1.00 . A A . 1 GLY C 1 1 3 302 1 1 1 GLY CA C 2.050 9.180 -0.477 1.00 . A A . 1 GLY CA 1 1 3 303 1 1 1 GLY H1 H 2.016 9.843 1.460 1.00 . A A . 1 GLY H1 1 1 3 304 1 1 1 GLY H2 H 3.504 10.059 0.670 1.00 . A A . 1 GLY H2 1 1 3 305 1 1 1 GLY H3 H 3.030 8.513 1.192 1.00 . A A . 1 GLY H3 1 1 3 306 1 1 1 GLY HA2 H 1.561 10.100 -0.800 1.00 . A A . 1 GLY HA2 1 1 3 307 1 1 1 GLY HA3 H 2.810 8.908 -1.211 1.00 . A A . 1 GLY HA3 1 1 3 308 1 1 1 GLY N N 2.696 9.416 0.801 1.00 . A A . 1 GLY N 1 1 3 309 1 1 1 GLY O O -0.054 8.246 0.167 1.00 . A A . 1 GLY O 1 1 3 310 1 1 2 ASN C C 1.076 4.576 -0.328 1.00 . A A . 2 ASN C 1 1 3 311 1 1 2 ASN CA C 0.436 5.784 -1.006 1.00 . A A . 2 ASN CA 1 1 3 312 1 1 2 ASN CB C 0.040 5.427 -2.440 1.00 . A A . 2 ASN CB 1 1 3 313 1 1 2 ASN CG C -1.098 6.286 -2.957 1.00 . A A . 2 ASN CG 1 1 3 314 1 1 2 ASN H H 2.248 6.842 -1.463 1.00 . A A . 2 ASN H 1 1 3 315 1 1 2 ASN HA H -0.476 6.030 -0.455 1.00 . A A . 2 ASN HA 1 1 3 316 1 1 2 ASN HB2 H 0.904 5.584 -3.084 1.00 . A A . 2 ASN HB2 1 1 3 317 1 1 2 ASN HB3 H -0.261 4.379 -2.501 1.00 . A A . 2 ASN HB3 1 1 3 318 1 1 2 ASN HD21 H -2.435 4.773 -2.630 1.00 . A A . 2 ASN HD21 1 1 3 319 1 1 2 ASN HD22 H -3.105 6.269 -3.289 1.00 . A A . 2 ASN HD22 1 1 3 320 1 1 2 ASN N N 1.343 6.925 -1.000 1.00 . A A . 2 ASN N 1 1 3 321 1 1 2 ASN ND2 N -2.305 5.730 -2.957 1.00 . A A . 2 ASN ND2 1 1 3 322 1 1 2 ASN O O 0.766 3.431 -0.656 1.00 . A A . 2 ASN O 1 1 3 323 1 1 2 ASN OD1 O -0.896 7.434 -3.351 1.00 . A A . 2 ASN OD1 1 1 3 324 1 1 3 HIS C C 1.649 2.850 2.023 1.00 . A A . 3 HIS C 1 1 3 325 1 1 3 HIS CA C 2.653 3.776 1.345 1.00 . A A . 3 HIS CA 1 1 3 326 1 1 3 HIS CB C 3.604 4.368 2.387 1.00 . A A . 3 HIS CB 1 1 3 327 1 1 3 HIS CD2 C 5.423 2.650 3.079 1.00 . A A . 3 HIS CD2 1 1 3 328 1 1 3 HIS CE1 C 4.525 2.009 4.971 1.00 . A A . 3 HIS CE1 1 1 3 329 1 1 3 HIS CG C 4.258 3.334 3.260 1.00 . A A . 3 HIS CG 1 1 3 330 1 1 3 HIS H H 2.180 5.813 0.848 1.00 . A A . 3 HIS H 1 1 3 331 1 1 3 HIS HA H 3.242 3.194 0.638 1.00 . A A . 3 HIS HA 1 1 3 332 1 1 3 HIS HB2 H 4.380 4.934 1.875 1.00 . A A . 3 HIS HB2 1 1 3 333 1 1 3 HIS HB3 H 3.035 5.048 3.023 1.00 . A A . 3 HIS HB3 1 1 3 334 1 1 3 HIS HD1 H 2.834 3.244 4.874 1.00 . A A . 3 HIS HD1 1 1 3 335 1 1 3 HIS HD2 H 6.191 2.891 2.359 1.00 . A A . 3 HIS HD2 1 1 3 336 1 1 3 HIS HE1 H 4.363 1.500 5.910 1.00 . A A . 3 HIS HE1 1 1 3 337 1 1 3 HIS N N 1.969 4.842 0.620 1.00 . A A . 3 HIS N 1 1 3 338 1 1 3 HIS ND1 N 3.706 2.916 4.460 1.00 . A A . 3 HIS ND1 1 1 3 339 1 1 3 HIS NE2 N 5.577 1.815 4.172 1.00 . A A . 3 HIS NE2 1 1 3 340 1 1 3 HIS O O 1.934 1.677 2.262 1.00 . A A . 3 HIS O 1 1 3 341 1 1 4 TRP C C -1.110 1.525 2.049 1.00 . A A . 4 TRP C 1 1 3 342 1 1 4 TRP CA C -0.575 2.605 2.983 1.00 . A A . 4 TRP CA 1 1 3 343 1 1 4 TRP CB C -1.716 3.519 3.432 1.00 . A A . 4 TRP CB 1 1 3 344 1 1 4 TRP CD1 C -2.354 3.508 5.914 1.00 . A A . 4 TRP CD1 1 1 3 345 1 1 4 TRP CD2 C -3.357 1.918 4.699 1.00 . A A . 4 TRP CD2 1 1 3 346 1 1 4 TRP CE2 C -3.790 1.802 6.034 1.00 . A A . 4 TRP CE2 1 1 3 347 1 1 4 TRP CE3 C -3.856 1.021 3.749 1.00 . A A . 4 TRP CE3 1 1 3 348 1 1 4 TRP CG C -2.439 3.015 4.644 1.00 . A A . 4 TRP CG 1 1 3 349 1 1 4 TRP CH2 C -5.169 -0.037 5.491 1.00 . A A . 4 TRP CH2 1 1 3 350 1 1 4 TRP CZ2 C -4.696 0.828 6.441 1.00 . A A . 4 TRP CZ2 1 1 3 351 1 1 4 TRP CZ3 C -4.755 0.054 4.155 1.00 . A A . 4 TRP CZ3 1 1 3 352 1 1 4 TRP H H 0.296 4.363 2.107 1.00 . A A . 4 TRP H 1 1 3 353 1 1 4 TRP HA H -0.144 2.123 3.862 1.00 . A A . 4 TRP HA 1 1 3 354 1 1 4 TRP HB2 H -1.295 4.493 3.674 1.00 . A A . 4 TRP HB2 1 1 3 355 1 1 4 TRP HB3 H -2.430 3.642 2.614 1.00 . A A . 4 TRP HB3 1 1 3 356 1 1 4 TRP HD1 H -1.740 4.346 6.213 1.00 . A A . 4 TRP HD1 1 1 3 357 1 1 4 TRP HE1 H -3.287 2.941 7.756 1.00 . A A . 4 TRP HE1 1 1 3 358 1 1 4 TRP HE3 H -3.557 1.089 2.719 1.00 . A A . 4 TRP HE3 1 1 3 359 1 1 4 TRP HH2 H -5.872 -0.803 5.779 1.00 . A A . 4 TRP HH2 1 1 3 360 1 1 4 TRP HZ2 H -5.015 0.754 7.471 1.00 . A A . 4 TRP HZ2 1 1 3 361 1 1 4 TRP HZ3 H -5.144 -0.641 3.425 1.00 . A A . 4 TRP HZ3 1 1 3 362 1 1 4 TRP N N 0.472 3.385 2.331 1.00 . A A . 4 TRP N 1 1 3 363 1 1 4 TRP NE1 N -3.164 2.784 6.755 1.00 . A A . 4 TRP NE1 1 1 3 364 1 1 4 TRP O O -1.327 0.387 2.462 1.00 . A A . 4 TRP O 1 1 3 365 1 1 5 ALA C C -0.771 -0.083 -0.573 1.00 . A A . 5 ALA C 1 1 3 366 1 1 5 ALA CA C -1.829 0.951 -0.204 1.00 . A A . 5 ALA CA 1 1 3 367 1 1 5 ALA CB C -2.298 1.697 -1.445 1.00 . A A . 5 ALA CB 1 1 3 368 1 1 5 ALA H H -1.123 2.850 0.509 1.00 . A A . 5 ALA H 1 1 3 369 1 1 5 ALA HA H -2.684 0.429 0.225 1.00 . A A . 5 ALA HA 1 1 3 370 1 1 5 ALA HB1 H -1.479 2.305 -1.829 1.00 . A A . 5 ALA HB1 1 1 3 371 1 1 5 ALA HB2 H -3.141 2.340 -1.188 1.00 . A A . 5 ALA HB2 1 1 3 372 1 1 5 ALA HB3 H -2.607 0.981 -2.206 1.00 . A A . 5 ALA HB3 1 1 3 373 1 1 5 ALA N N -1.321 1.890 0.789 1.00 . A A . 5 ALA N 1 1 3 374 1 1 5 ALA O O -1.071 -1.268 -0.720 1.00 . A A . 5 ALA O 1 1 3 375 1 1 6 VAL C C 1.715 -1.640 -0.060 1.00 . A A . 6 VAL C 1 1 3 376 1 1 6 VAL CA C 1.572 -0.514 -1.075 1.00 . A A . 6 VAL CA 1 1 3 377 1 1 6 VAL CB C 2.901 0.256 -1.166 1.00 . A A . 6 VAL CB 1 1 3 378 1 1 6 VAL CG1 C 4.043 -0.688 -1.513 1.00 . A A . 6 VAL CG1 1 1 3 379 1 1 6 VAL CG2 C 2.800 1.381 -2.184 1.00 . A A . 6 VAL CG2 1 1 3 380 1 1 6 VAL H H 0.653 1.367 -0.587 1.00 . A A . 6 VAL H 1 1 3 381 1 1 6 VAL HA H 1.368 -0.951 -2.052 1.00 . A A . 6 VAL HA 1 1 3 382 1 1 6 VAL HB H 3.107 0.693 -0.188 1.00 . A A . 6 VAL HB 1 1 3 383 1 1 6 VAL HG11 H 3.751 -1.302 -2.365 1.00 . A A . 6 VAL HG11 1 1 3 384 1 1 6 VAL HG12 H 4.265 -1.331 -0.662 1.00 . A A . 6 VAL HG12 1 1 3 385 1 1 6 VAL HG13 H 4.930 -0.109 -1.770 1.00 . A A . 6 VAL HG13 1 1 3 386 1 1 6 VAL HG21 H 3.614 2.091 -2.031 1.00 . A A . 6 VAL HG21 1 1 3 387 1 1 6 VAL HG22 H 1.847 1.896 -2.075 1.00 . A A . 6 VAL HG22 1 1 3 388 1 1 6 VAL HG23 H 2.870 0.961 -3.188 1.00 . A A . 6 VAL HG23 1 1 3 389 1 1 6 VAL N N 0.468 0.373 -0.723 1.00 . A A . 6 VAL N 1 1 3 390 1 1 6 VAL O O 2.180 -2.732 -0.389 1.00 . A A . 6 VAL O 1 1 3 391 1 1 7 GLY C C 0.380 -3.474 2.064 1.00 . A A . 7 GLY C 1 1 3 392 1 1 7 GLY CA C 1.408 -2.371 2.224 1.00 . A A . 7 GLY CA 1 1 3 393 1 1 7 GLY H H 0.937 -0.449 1.396 1.00 . A A . 7 GLY H 1 1 3 394 1 1 7 GLY HA2 H 2.405 -2.813 2.203 1.00 . A A . 7 GLY HA2 1 1 3 395 1 1 7 GLY HA3 H 1.256 -1.886 3.188 1.00 . A A . 7 GLY HA3 1 1 3 396 1 1 7 GLY N N 1.315 -1.371 1.179 1.00 . A A . 7 GLY N 1 1 3 397 1 1 7 GLY O O 0.572 -4.588 2.553 1.00 . A A . 7 GLY O 1 1 3 398 1 1 8 HIS C C -1.529 -4.932 -0.122 1.00 . A A . 8 HIS C 1 1 3 399 1 1 8 HIS CA C -1.779 -4.138 1.155 1.00 . A A . 8 HIS CA 1 1 3 400 1 1 8 HIS CB C -3.136 -3.435 1.076 1.00 . A A . 8 HIS CB 1 1 3 401 1 1 8 HIS CD2 C -5.463 -4.546 0.769 1.00 . A A . 8 HIS CD2 1 1 3 402 1 1 8 HIS CE1 C -5.454 -5.764 2.590 1.00 . A A . 8 HIS CE1 1 1 3 403 1 1 8 HIS CG C -4.292 -4.329 1.432 1.00 . A A . 8 HIS CG 1 1 3 404 1 1 8 HIS H H -0.819 -2.222 1.001 1.00 . A A . 8 HIS H 1 1 3 405 1 1 8 HIS HA H -1.803 -4.836 1.996 1.00 . A A . 8 HIS HA 1 1 3 406 1 1 8 HIS HB2 H -3.128 -2.597 1.771 1.00 . A A . 8 HIS HB2 1 1 3 407 1 1 8 HIS HB3 H -3.280 -3.048 0.064 1.00 . A A . 8 HIS HB3 1 1 3 408 1 1 8 HIS HD1 H -3.569 -5.162 3.283 1.00 . A A . 8 HIS HD1 1 1 3 409 1 1 8 HIS HD2 H -5.672 -4.264 -0.252 1.00 . A A . 8 HIS HD2 1 1 3 410 1 1 8 HIS HE1 H -5.755 -6.453 3.365 1.00 . A A . 8 HIS HE1 1 1 3 411 1 1 8 HIS N N -0.716 -3.164 1.379 1.00 . A A . 8 HIS N 1 1 3 412 1 1 8 HIS ND1 N -4.305 -5.106 2.578 1.00 . A A . 8 HIS ND1 1 1 3 413 1 1 8 HIS NE2 N -6.188 -5.458 1.516 1.00 . A A . 8 HIS NE2 1 1 3 414 1 1 8 HIS O O -1.700 -6.152 -0.152 1.00 . A A . 8 HIS O 1 1 3 415 1 1 9 LEU C C 0.383 -5.763 -2.374 1.00 . A A . 9 LEU C 1 1 3 416 1 1 9 LEU CA C -0.853 -4.873 -2.461 1.00 . A A . 9 LEU CA 1 1 3 417 1 1 9 LEU CB C -0.659 -3.815 -3.549 1.00 . A A . 9 LEU CB 1 1 3 418 1 1 9 LEU CD1 C -1.523 -1.667 -4.508 1.00 . A A . 9 LEU CD1 1 1 3 419 1 1 9 LEU CD2 C -2.726 -3.811 -4.966 1.00 . A A . 9 LEU CD2 1 1 3 420 1 1 9 LEU CG C -1.907 -3.028 -3.951 1.00 . A A . 9 LEU CG 1 1 3 421 1 1 9 LEU H H -1.007 -3.224 -1.090 1.00 . A A . 9 LEU H 1 1 3 422 1 1 9 LEU HA H -1.709 -5.487 -2.734 1.00 . A A . 9 LEU HA 1 1 3 423 1 1 9 LEU HB2 H 0.091 -3.112 -3.184 1.00 . A A . 9 LEU HB2 1 1 3 424 1 1 9 LEU HB3 H -0.260 -4.307 -4.441 1.00 . A A . 9 LEU HB3 1 1 3 425 1 1 9 LEU HD11 H -1.111 -1.043 -3.715 1.00 . A A . 9 LEU HD11 1 1 3 426 1 1 9 LEU HD12 H -2.408 -1.185 -4.927 1.00 . A A . 9 LEU HD12 1 1 3 427 1 1 9 LEU HD13 H -0.777 -1.799 -5.291 1.00 . A A . 9 LEU HD13 1 1 3 428 1 1 9 LEU HD21 H -2.117 -3.993 -5.851 1.00 . A A . 9 LEU HD21 1 1 3 429 1 1 9 LEU HD22 H -3.605 -3.230 -5.246 1.00 . A A . 9 LEU HD22 1 1 3 430 1 1 9 LEU HD23 H -3.042 -4.763 -4.541 1.00 . A A . 9 LEU HD23 1 1 3 431 1 1 9 LEU HG H -2.512 -2.877 -3.056 1.00 . A A . 9 LEU HG 1 1 3 432 1 1 9 LEU N N -1.126 -4.233 -1.178 1.00 . A A . 9 LEU N 1 1 3 433 1 1 9 LEU O O 0.380 -6.894 -2.861 1.00 . A A . 9 LEU O 1 1 3 434 1 1 10 MET C C 2.834 -6.499 -0.164 1.00 . A A . 10 MET C 1 1 3 435 1 1 10 MET CA C 2.677 -5.995 -1.595 1.00 . A A . 10 MET CA 1 1 3 436 1 1 10 MET CB C 3.875 -5.124 -1.976 1.00 . A A . 10 MET CB 1 1 3 437 1 1 10 MET CE C 6.904 -4.798 -4.068 1.00 . A A . 10 MET CE 1 1 3 438 1 1 10 MET CG C 4.231 -5.192 -3.452 1.00 . A A . 10 MET CG 1 1 3 439 1 1 10 MET H H 1.375 -4.302 -1.367 1.00 . A A . 10 MET H 1 1 3 440 1 1 10 MET HA H 2.666 -6.866 -2.258 1.00 . A A . 10 MET HA 1 1 3 441 1 1 10 MET HB2 H 3.635 -4.089 -1.735 1.00 . A A . 10 MET HB2 1 1 3 442 1 1 10 MET HB3 H 4.753 -5.426 -1.397 1.00 . A A . 10 MET HB3 1 1 3 443 1 1 10 MET HE1 H 6.845 -5.497 -4.902 1.00 . A A . 10 MET HE1 1 1 3 444 1 1 10 MET HE2 H 7.068 -5.350 -3.142 1.00 . A A . 10 MET HE2 1 1 3 445 1 1 10 MET HE3 H 7.732 -4.108 -4.229 1.00 . A A . 10 MET HE3 1 1 3 446 1 1 10 MET HG2 H 4.696 -6.156 -3.654 1.00 . A A . 10 MET HG2 1 1 3 447 1 1 10 MET HG3 H 3.312 -5.113 -4.034 1.00 . A A . 10 MET HG3 1 1 3 448 1 1 10 MET N N 1.435 -5.246 -1.749 1.00 . A A . 10 MET N 1 1 3 449 1 1 10 MET O O 2.052 -6.077 0.673 1.00 . A A . 10 MET O 1 1 3 450 1 1 10 MET SD S 5.368 -3.885 -3.954 1.00 . A A . 10 MET SD 1 1 4 451 1 1 1 GLY C C 1.239 8.727 -1.073 1.00 . A A . 1 GLY C 1 1 4 452 1 1 1 GLY CA C 2.098 9.972 -1.176 1.00 . A A . 1 GLY CA 1 1 4 453 1 1 1 GLY H1 H 2.632 10.495 -3.082 1.00 . A A . 1 GLY H1 1 1 4 454 1 1 1 GLY H2 H 3.121 8.936 -2.614 1.00 . A A . 1 GLY H2 1 1 4 455 1 1 1 GLY H3 H 3.936 10.302 -2.018 1.00 . A A . 1 GLY H3 1 1 4 456 1 1 1 GLY HA2 H 2.675 10.079 -0.258 1.00 . A A . 1 GLY HA2 1 1 4 457 1 1 1 GLY HA3 H 1.448 10.841 -1.287 1.00 . A A . 1 GLY HA3 1 1 4 458 1 1 1 GLY N N 3.012 9.923 -2.302 1.00 . A A . 1 GLY N 1 1 4 459 1 1 1 GLY O O 0.155 8.759 -0.489 1.00 . A A . 1 GLY O 1 1 4 460 1 1 2 ASN C C 1.863 5.242 -1.064 1.00 . A A . 2 ASN C 1 1 4 461 1 1 2 ASN CA C 0.989 6.367 -1.611 1.00 . A A . 2 ASN CA 1 1 4 462 1 1 2 ASN CB C 0.495 6.006 -3.014 1.00 . A A . 2 ASN CB 1 1 4 463 1 1 2 ASN CG C -0.844 6.642 -3.337 1.00 . A A . 2 ASN CG 1 1 4 464 1 1 2 ASN H H 2.627 7.663 -2.111 1.00 . A A . 2 ASN H 1 1 4 465 1 1 2 ASN HA H 0.119 6.459 -0.954 1.00 . A A . 2 ASN HA 1 1 4 466 1 1 2 ASN HB2 H 1.227 6.362 -3.738 1.00 . A A . 2 ASN HB2 1 1 4 467 1 1 2 ASN HB3 H 0.401 4.921 -3.111 1.00 . A A . 2 ASN HB3 1 1 4 468 1 1 2 ASN HD21 H -1.833 5.134 -2.370 1.00 . A A . 2 ASN HD21 1 1 4 469 1 1 2 ASN HD22 H -2.845 6.397 -3.078 1.00 . A A . 2 ASN HD22 1 1 4 470 1 1 2 ASN N N 1.721 7.627 -1.642 1.00 . A A . 2 ASN N 1 1 4 471 1 1 2 ASN ND2 N -1.922 6.006 -2.892 1.00 . A A . 2 ASN ND2 1 1 4 472 1 1 2 ASN O O 2.493 4.505 -1.823 1.00 . A A . 2 ASN O 1 1 4 473 1 1 2 ASN OD1 O -0.907 7.690 -3.978 1.00 . A A . 2 ASN OD1 1 1 4 474 1 1 3 HIS C C 1.801 3.130 1.703 1.00 . A A . 3 HIS C 1 1 4 475 1 1 3 HIS CA C 2.692 4.081 0.909 1.00 . A A . 3 HIS CA 1 1 4 476 1 1 3 HIS CB C 3.735 4.714 1.831 1.00 . A A . 3 HIS CB 1 1 4 477 1 1 3 HIS CD2 C 6.077 3.623 1.578 1.00 . A A . 3 HIS CD2 1 1 4 478 1 1 3 HIS CE1 C 5.956 2.256 3.285 1.00 . A A . 3 HIS CE1 1 1 4 479 1 1 3 HIS CG C 4.867 3.789 2.182 1.00 . A A . 3 HIS CG 1 1 4 480 1 1 3 HIS H H 1.347 5.755 0.835 1.00 . A A . 3 HIS H 1 1 4 481 1 1 3 HIS HA H 3.224 3.495 0.156 1.00 . A A . 3 HIS HA 1 1 4 482 1 1 3 HIS HB2 H 4.146 5.593 1.337 1.00 . A A . 3 HIS HB2 1 1 4 483 1 1 3 HIS HB3 H 3.243 5.029 2.754 1.00 . A A . 3 HIS HB3 1 1 4 484 1 1 3 HIS HD1 H 4.030 2.806 3.908 1.00 . A A . 3 HIS HD1 1 1 4 485 1 1 3 HIS HD2 H 6.516 4.290 0.852 1.00 . A A . 3 HIS HD2 1 1 4 486 1 1 3 HIS HE1 H 6.207 1.502 4.016 1.00 . A A . 3 HIS HE1 1 1 4 487 1 1 3 HIS N N 1.896 5.117 0.259 1.00 . A A . 3 HIS N 1 1 4 488 1 1 3 HIS ND1 N 4.809 2.918 3.257 1.00 . A A . 3 HIS ND1 1 1 4 489 1 1 3 HIS NE2 N 6.756 2.647 2.289 1.00 . A A . 3 HIS NE2 1 1 4 490 1 1 3 HIS O O 2.090 1.938 1.809 1.00 . A A . 3 HIS O 1 1 4 491 1 1 4 TRP C C -0.819 1.749 2.194 1.00 . A A . 4 TRP C 1 1 4 492 1 1 4 TRP CA C -0.213 2.862 3.041 1.00 . A A . 4 TRP CA 1 1 4 493 1 1 4 TRP CB C -1.323 3.746 3.613 1.00 . A A . 4 TRP CB 1 1 4 494 1 1 4 TRP CD1 C -1.797 3.585 6.126 1.00 . A A . 4 TRP CD1 1 1 4 495 1 1 4 TRP CD2 C -2.890 2.075 4.883 1.00 . A A . 4 TRP CD2 1 1 4 496 1 1 4 TRP CE2 C -3.236 1.879 6.235 1.00 . A A . 4 TRP CE2 1 1 4 497 1 1 4 TRP CE3 C -3.457 1.241 3.916 1.00 . A A . 4 TRP CE3 1 1 4 498 1 1 4 TRP CG C -1.970 3.170 4.836 1.00 . A A . 4 TRP CG 1 1 4 499 1 1 4 TRP CH2 C -4.661 0.082 5.671 1.00 . A A . 4 TRP CH2 1 1 4 500 1 1 4 TRP CZ2 C -4.122 0.885 6.640 1.00 . A A . 4 TRP CZ2 1 1 4 501 1 1 4 TRP CZ3 C -4.336 0.253 4.319 1.00 . A A . 4 TRP CZ3 1 1 4 502 1 1 4 TRP H H 0.535 4.660 2.131 1.00 . A A . 4 TRP H 1 1 4 503 1 1 4 TRP HA H 0.334 2.411 3.869 1.00 . A A . 4 TRP HA 1 1 4 504 1 1 4 TRP HB2 H -0.891 4.709 3.881 1.00 . A A . 4 TRP HB2 1 1 4 505 1 1 4 TRP HB3 H -2.086 3.906 2.848 1.00 . A A . 4 TRP HB3 1 1 4 506 1 1 4 TRP HD1 H -1.158 4.399 6.435 1.00 . A A . 4 TRP HD1 1 1 4 507 1 1 4 TRP HE1 H -2.614 2.907 7.985 1.00 . A A . 4 TRP HE1 1 1 4 508 1 1 4 TRP HE3 H -3.226 1.370 2.875 1.00 . A A . 4 TRP HE3 1 1 4 509 1 1 4 TRP HH2 H -5.350 -0.698 5.958 1.00 . A A . 4 TRP HH2 1 1 4 510 1 1 4 TRP HZ2 H -4.373 0.749 7.681 1.00 . A A . 4 TRP HZ2 1 1 4 511 1 1 4 TRP HZ3 H -4.777 -0.395 3.576 1.00 . A A . 4 TRP HZ3 1 1 4 512 1 1 4 TRP N N 0.719 3.664 2.256 1.00 . A A . 4 TRP N 1 1 4 513 1 1 4 TRP NE1 N -2.557 2.812 6.972 1.00 . A A . 4 TRP NE1 1 1 4 514 1 1 4 TRP O O -0.870 0.594 2.616 1.00 . A A . 4 TRP O 1 1 4 515 1 1 5 ALA C C -0.885 0.033 -0.272 1.00 . A A . 5 ALA C 1 1 4 516 1 1 5 ALA CA C -1.879 1.132 0.092 1.00 . A A . 5 ALA CA 1 1 4 517 1 1 5 ALA CB C -2.385 1.826 -1.164 1.00 . A A . 5 ALA CB 1 1 4 518 1 1 5 ALA H H -1.209 3.079 0.706 1.00 . A A . 5 ALA H 1 1 4 519 1 1 5 ALA HA H -2.730 0.674 0.595 1.00 . A A . 5 ALA HA 1 1 4 520 1 1 5 ALA HB1 H -3.111 2.592 -0.890 1.00 . A A . 5 ALA HB1 1 1 4 521 1 1 5 ALA HB2 H -2.857 1.095 -1.820 1.00 . A A . 5 ALA HB2 1 1 4 522 1 1 5 ALA HB3 H -1.546 2.290 -1.681 1.00 . A A . 5 ALA HB3 1 1 4 523 1 1 5 ALA N N -1.277 2.103 0.998 1.00 . A A . 5 ALA N 1 1 4 524 1 1 5 ALA O O -1.266 -1.120 -0.469 1.00 . A A . 5 ALA O 1 1 4 525 1 1 6 VAL C C 1.441 -1.735 0.265 1.00 . A A . 6 VAL C 1 1 4 526 1 1 6 VAL CA C 1.439 -0.556 -0.699 1.00 . A A . 6 VAL CA 1 1 4 527 1 1 6 VAL CB C 2.825 0.108 -0.688 1.00 . A A . 6 VAL CB 1 1 4 528 1 1 6 VAL CG1 C 3.904 -0.900 -1.057 1.00 . A A . 6 VAL CG1 1 1 4 529 1 1 6 VAL CG2 C 2.856 1.302 -1.632 1.00 . A A . 6 VAL CG2 1 1 4 530 1 1 6 VAL H H 0.640 1.372 -0.183 1.00 . A A . 6 VAL H 1 1 4 531 1 1 6 VAL HA H 1.254 -0.920 -1.691 1.00 . A A . 6 VAL HA 1 1 4 532 1 1 6 VAL HB H 3.031 0.457 0.319 1.00 . A A . 6 VAL HB 1 1 4 533 1 1 6 VAL HG11 H 3.602 -1.425 -1.964 1.00 . A A . 6 VAL HG11 1 1 4 534 1 1 6 VAL HG12 H 4.033 -1.618 -0.247 1.00 . A A . 6 VAL HG12 1 1 4 535 1 1 6 VAL HG13 H 4.845 -0.381 -1.236 1.00 . A A . 6 VAL HG13 1 1 4 536 1 1 6 VAL HG21 H 2.771 0.944 -2.658 1.00 . A A . 6 VAL HG21 1 1 4 537 1 1 6 VAL HG22 H 3.795 1.842 -1.513 1.00 . A A . 6 VAL HG22 1 1 4 538 1 1 6 VAL HG23 H 2.023 1.968 -1.409 1.00 . A A . 6 VAL HG23 1 1 4 539 1 1 6 VAL N N 0.389 0.400 -0.360 1.00 . A A . 6 VAL N 1 1 4 540 1 1 6 VAL O O 1.886 -2.829 -0.076 1.00 . A A . 6 VAL O 1 1 4 541 1 1 7 GLY C C 0.203 -3.806 1.966 1.00 . A A . 7 GLY C 1 1 4 542 1 1 7 GLY CA C 0.894 -2.556 2.474 1.00 . A A . 7 GLY CA 1 1 4 543 1 1 7 GLY H H 0.584 -0.576 1.705 1.00 . A A . 7 GLY H 1 1 4 544 1 1 7 GLY HA2 H 1.913 -2.809 2.767 1.00 . A A . 7 GLY HA2 1 1 4 545 1 1 7 GLY HA3 H 0.357 -2.189 3.349 1.00 . A A . 7 GLY HA3 1 1 4 546 1 1 7 GLY N N 0.940 -1.504 1.476 1.00 . A A . 7 GLY N 1 1 4 547 1 1 7 GLY O O 0.602 -4.923 2.297 1.00 . A A . 7 GLY O 1 1 4 548 1 1 8 HIS C C -0.942 -5.242 -0.683 1.00 . A A . 8 HIS C 1 1 4 549 1 1 8 HIS CA C -1.586 -4.743 0.605 1.00 . A A . 8 HIS CA 1 1 4 550 1 1 8 HIS CB C -3.036 -4.333 0.341 1.00 . A A . 8 HIS CB 1 1 4 551 1 1 8 HIS CD2 C -4.756 -2.951 1.711 1.00 . A A . 8 HIS CD2 1 1 4 552 1 1 8 HIS CE1 C -4.279 -3.757 3.690 1.00 . A A . 8 HIS CE1 1 1 4 553 1 1 8 HIS CG C -3.760 -3.870 1.576 1.00 . A A . 8 HIS CG 1 1 4 554 1 1 8 HIS H H -1.121 -2.669 0.925 1.00 . A A . 8 HIS H 1 1 4 555 1 1 8 HIS HA H -1.592 -5.560 1.330 1.00 . A A . 8 HIS HA 1 1 4 556 1 1 8 HIS HB2 H -3.038 -3.526 -0.389 1.00 . A A . 8 HIS HB2 1 1 4 557 1 1 8 HIS HB3 H -3.568 -5.188 -0.079 1.00 . A A . 8 HIS HB3 1 1 4 558 1 1 8 HIS HD1 H -2.769 -5.072 3.066 1.00 . A A . 8 HIS HD1 1 1 4 559 1 1 8 HIS HD2 H -5.349 -2.542 0.907 1.00 . A A . 8 HIS HD2 1 1 4 560 1 1 8 HIS HE1 H -4.291 -3.938 4.756 1.00 . A A . 8 HIS HE1 1 1 4 561 1 1 8 HIS N N -0.837 -3.620 1.160 1.00 . A A . 8 HIS N 1 1 4 562 1 1 8 HIS ND1 N -3.471 -4.368 2.836 1.00 . A A . 8 HIS ND1 1 1 4 563 1 1 8 HIS NE2 N -5.074 -2.890 3.057 1.00 . A A . 8 HIS NE2 1 1 4 564 1 1 8 HIS O O -1.033 -6.424 -1.018 1.00 . A A . 8 HIS O 1 1 4 565 1 1 9 LEU C C 1.554 -5.611 -2.410 1.00 . A A . 9 LEU C 1 1 4 566 1 1 9 LEU CA C 0.368 -4.684 -2.657 1.00 . A A . 9 LEU CA 1 1 4 567 1 1 9 LEU CB C 0.837 -3.419 -3.378 1.00 . A A . 9 LEU CB 1 1 4 568 1 1 9 LEU CD1 C 0.276 -1.095 -4.133 1.00 . A A . 9 LEU CD1 1 1 4 569 1 1 9 LEU CD2 C -0.860 -3.058 -5.187 1.00 . A A . 9 LEU CD2 1 1 4 570 1 1 9 LEU CG C -0.265 -2.498 -3.904 1.00 . A A . 9 LEU CG 1 1 4 571 1 1 9 LEU H H -0.252 -3.371 -1.073 1.00 . A A . 9 LEU H 1 1 4 572 1 1 9 LEU HA H -0.346 -5.201 -3.291 1.00 . A A . 9 LEU HA 1 1 4 573 1 1 9 LEU HB2 H 1.466 -2.878 -2.686 1.00 . A A . 9 LEU HB2 1 1 4 574 1 1 9 LEU HB3 H 1.454 -3.726 -4.227 1.00 . A A . 9 LEU HB3 1 1 4 575 1 1 9 LEU HD11 H 0.012 -0.752 -5.137 1.00 . A A . 9 LEU HD11 1 1 4 576 1 1 9 LEU HD12 H 1.363 -1.066 -4.039 1.00 . A A . 9 LEU HD12 1 1 4 577 1 1 9 LEU HD13 H -0.163 -0.403 -3.411 1.00 . A A . 9 LEU HD13 1 1 4 578 1 1 9 LEU HD21 H -0.068 -3.181 -5.925 1.00 . A A . 9 LEU HD21 1 1 4 579 1 1 9 LEU HD22 H -1.609 -2.364 -5.572 1.00 . A A . 9 LEU HD22 1 1 4 580 1 1 9 LEU HD23 H -1.332 -4.018 -4.997 1.00 . A A . 9 LEU HD23 1 1 4 581 1 1 9 LEU HG H -1.053 -2.461 -3.145 1.00 . A A . 9 LEU HG 1 1 4 582 1 1 9 LEU N N -0.292 -4.336 -1.404 1.00 . A A . 9 LEU N 1 1 4 583 1 1 9 LEU O O 1.877 -6.457 -3.244 1.00 . A A . 9 LEU O 1 1 4 584 1 1 10 MET C C 2.905 -7.692 -0.552 1.00 . A A . 10 MET C 1 1 4 585 1 1 10 MET CA C 3.343 -6.273 -0.899 1.00 . A A . 10 MET CA 1 1 4 586 1 1 10 MET CB C 4.093 -5.655 0.282 1.00 . A A . 10 MET CB 1 1 4 587 1 1 10 MET CE C 5.866 -7.135 2.970 1.00 . A A . 10 MET CE 1 1 4 588 1 1 10 MET CG C 5.530 -6.135 0.407 1.00 . A A . 10 MET CG 1 1 4 589 1 1 10 MET H H 1.876 -4.730 -0.606 1.00 . A A . 10 MET H 1 1 4 590 1 1 10 MET HA H 4.013 -6.314 -1.754 1.00 . A A . 10 MET HA 1 1 4 591 1 1 10 MET HB2 H 4.089 -4.572 0.160 1.00 . A A . 10 MET HB2 1 1 4 592 1 1 10 MET HB3 H 3.563 -5.903 1.204 1.00 . A A . 10 MET HB3 1 1 4 593 1 1 10 MET HE1 H 6.733 -6.476 3.024 1.00 . A A . 10 MET HE1 1 1 4 594 1 1 10 MET HE2 H 4.974 -6.587 3.277 1.00 . A A . 10 MET HE2 1 1 4 595 1 1 10 MET HE3 H 6.014 -7.987 3.633 1.00 . A A . 10 MET HE3 1 1 4 596 1 1 10 MET HG2 H 5.963 -6.247 -0.585 1.00 . A A . 10 MET HG2 1 1 4 597 1 1 10 MET HG3 H 6.109 -5.389 0.956 1.00 . A A . 10 MET HG3 1 1 4 598 1 1 10 MET N N 2.195 -5.448 -1.258 1.00 . A A . 10 MET N 1 1 4 599 1 1 10 MET O O 2.155 -7.840 0.399 1.00 . A A . 10 MET O 1 1 4 600 1 1 10 MET SD S 5.665 -7.705 1.284 1.00 . A A . 10 MET SD 1 1 5 601 1 1 1 GLY C C 2.305 6.508 -2.777 1.00 . A A . 1 GLY C 1 1 5 602 1 1 1 GLY CA C 3.039 6.620 -4.098 1.00 . A A . 1 GLY CA 1 1 5 603 1 1 1 GLY H1 H 1.291 7.346 -4.878 1.00 . A A . 1 GLY H1 1 1 5 604 1 1 1 GLY H2 H 2.506 7.048 -6.029 1.00 . A A . 1 GLY H2 1 1 5 605 1 1 1 GLY H3 H 2.610 8.403 -5.009 1.00 . A A . 1 GLY H3 1 1 5 606 1 1 1 GLY HA2 H 3.193 5.619 -4.501 1.00 . A A . 1 GLY HA2 1 1 5 607 1 1 1 GLY HA3 H 4.011 7.083 -3.924 1.00 . A A . 1 GLY HA3 1 1 5 608 1 1 1 GLY N N 2.310 7.410 -5.072 1.00 . A A . 1 GLY N 1 1 5 609 1 1 1 GLY O O 2.568 7.269 -1.847 1.00 . A A . 1 GLY O 1 1 5 610 1 1 2 ASN C C 1.255 4.293 -0.589 1.00 . A A . 2 ASN C 1 1 5 611 1 1 2 ASN CA C 0.603 5.349 -1.477 1.00 . A A . 2 ASN CA 1 1 5 612 1 1 2 ASN CB C -0.825 4.928 -1.825 1.00 . A A . 2 ASN CB 1 1 5 613 1 1 2 ASN CG C -1.402 5.732 -2.974 1.00 . A A . 2 ASN CG 1 1 5 614 1 1 2 ASN H H 1.208 4.958 -3.500 1.00 . A A . 2 ASN H 1 1 5 615 1 1 2 ASN HA H 0.551 6.287 -0.918 1.00 . A A . 2 ASN HA 1 1 5 616 1 1 2 ASN HB2 H -0.795 3.895 -2.128 1.00 . A A . 2 ASN HB2 1 1 5 617 1 1 2 ASN HB3 H -1.465 5.035 -0.949 1.00 . A A . 2 ASN HB3 1 1 5 618 1 1 2 ASN HD21 H -2.223 4.045 -3.792 1.00 . A A . 2 ASN HD21 1 1 5 619 1 1 2 ASN HD22 H -2.502 5.551 -4.674 1.00 . A A . 2 ASN HD22 1 1 5 620 1 1 2 ASN N N 1.381 5.557 -2.694 1.00 . A A . 2 ASN N 1 1 5 621 1 1 2 ASN ND2 N -2.095 5.054 -3.882 1.00 . A A . 2 ASN ND2 1 1 5 622 1 1 2 ASN O O 1.013 3.096 -0.749 1.00 . A A . 2 ASN O 1 1 5 623 1 1 2 ASN OD1 O -1.226 6.948 -3.045 1.00 . A A . 2 ASN OD1 1 1 5 624 1 1 3 HIS C C 1.770 2.969 2.016 1.00 . A A . 3 HIS C 1 1 5 625 1 1 3 HIS CA C 2.770 3.839 1.262 1.00 . A A . 3 HIS CA 1 1 5 626 1 1 3 HIS CB C 3.626 4.630 2.251 1.00 . A A . 3 HIS CB 1 1 5 627 1 1 3 HIS CD2 C 5.198 2.837 3.279 1.00 . A A . 3 HIS CD2 1 1 5 628 1 1 3 HIS CE1 C 4.534 3.012 5.357 1.00 . A A . 3 HIS CE1 1 1 5 629 1 1 3 HIS CG C 4.222 3.786 3.344 1.00 . A A . 3 HIS CG 1 1 5 630 1 1 3 HIS H H 2.241 5.748 0.431 1.00 . A A . 3 HIS H 1 1 5 631 1 1 3 HIS HA H 3.428 3.192 0.683 1.00 . A A . 3 HIS HA 1 1 5 632 1 1 3 HIS HB2 H 4.435 5.115 1.706 1.00 . A A . 3 HIS HB2 1 1 5 633 1 1 3 HIS HB3 H 3.000 5.398 2.709 1.00 . A A . 3 HIS HB3 1 1 5 634 1 1 3 HIS HD1 H 3.098 4.506 5.035 1.00 . A A . 3 HIS HD1 1 1 5 635 1 1 3 HIS HD2 H 5.867 2.676 2.446 1.00 . A A . 3 HIS HD2 1 1 5 636 1 1 3 HIS HE1 H 4.443 2.857 6.422 1.00 . A A . 3 HIS HE1 1 1 5 637 1 1 3 HIS N N 2.083 4.744 0.347 1.00 . A A . 3 HIS N 1 1 5 638 1 1 3 HIS ND1 N 3.815 3.883 4.664 1.00 . A A . 3 HIS ND1 1 1 5 639 1 1 3 HIS NE2 N 5.382 2.357 4.563 1.00 . A A . 3 HIS NE2 1 1 5 640 1 1 3 HIS O O 2.051 1.811 2.327 1.00 . A A . 3 HIS O 1 1 5 641 1 1 4 TRP C C -1.059 1.732 2.147 1.00 . A A . 4 TRP C 1 1 5 642 1 1 4 TRP CA C -0.437 2.809 3.028 1.00 . A A . 4 TRP CA 1 1 5 643 1 1 4 TRP CB C -1.519 3.776 3.513 1.00 . A A . 4 TRP CB 1 1 5 644 1 1 4 TRP CD1 C -2.063 3.786 6.018 1.00 . A A . 4 TRP CD1 1 1 5 645 1 1 4 TRP CD2 C -3.202 2.265 4.834 1.00 . A A . 4 TRP CD2 1 1 5 646 1 1 4 TRP CE2 C -3.590 2.167 6.185 1.00 . A A . 4 TRP CE2 1 1 5 647 1 1 4 TRP CE3 C -3.789 1.405 3.901 1.00 . A A . 4 TRP CE3 1 1 5 648 1 1 4 TRP CG C -2.224 3.307 4.749 1.00 . A A . 4 TRP CG 1 1 5 649 1 1 4 TRP CH2 C -5.095 0.415 5.686 1.00 . A A . 4 TRP CH2 1 1 5 650 1 1 4 TRP CZ2 C -4.537 1.243 6.622 1.00 . A A . 4 TRP CZ2 1 1 5 651 1 1 4 TRP CZ3 C -4.728 0.490 4.336 1.00 . A A . 4 TRP CZ3 1 1 5 652 1 1 4 TRP H H 0.434 4.498 2.025 1.00 . A A . 4 TRP H 1 1 5 653 1 1 4 TRP HA H 0.018 2.328 3.896 1.00 . A A . 4 TRP HA 1 1 5 654 1 1 4 TRP HB2 H -1.047 4.731 3.737 1.00 . A A . 4 TRP HB2 1 1 5 655 1 1 4 TRP HB3 H -2.253 3.929 2.719 1.00 . A A . 4 TRP HB3 1 1 5 656 1 1 4 TRP HD1 H -1.391 4.584 6.298 1.00 . A A . 4 TRP HD1 1 1 5 657 1 1 4 TRP HE1 H -2.957 3.262 7.891 1.00 . A A . 4 TRP HE1 1 1 5 658 1 1 4 TRP HE3 H -3.521 1.462 2.860 1.00 . A A . 4 TRP HE3 1 1 5 659 1 1 4 TRP HH2 H -5.832 -0.311 5.998 1.00 . A A . 4 TRP HH2 1 1 5 660 1 1 4 TRP HZ2 H -4.821 1.181 7.662 1.00 . A A . 4 TRP HZ2 1 1 5 661 1 1 4 TRP HZ3 H -5.184 -0.177 3.619 1.00 . A A . 4 TRP HZ3 1 1 5 662 1 1 4 TRP N N 0.605 3.533 2.309 1.00 . A A . 4 TRP N 1 1 5 663 1 1 4 TRP NE1 N -2.881 3.105 6.886 1.00 . A A . 4 TRP NE1 1 1 5 664 1 1 4 TRP O O -1.309 0.615 2.599 1.00 . A A . 4 TRP O 1 1 5 665 1 1 5 ALA C C -0.921 0.016 -0.403 1.00 . A A . 5 ALA C 1 1 5 666 1 1 5 ALA CA C -1.897 1.135 -0.059 1.00 . A A . 5 ALA CA 1 1 5 667 1 1 5 ALA CB C -2.336 1.862 -1.320 1.00 . A A . 5 ALA CB 1 1 5 668 1 1 5 ALA H H -1.077 3.018 0.573 1.00 . A A . 5 ALA H 1 1 5 669 1 1 5 ALA HA H -2.773 0.689 0.416 1.00 . A A . 5 ALA HA 1 1 5 670 1 1 5 ALA HB1 H -2.553 2.900 -1.080 1.00 . A A . 5 ALA HB1 1 1 5 671 1 1 5 ALA HB2 H -3.239 1.391 -1.717 1.00 . A A . 5 ALA HB2 1 1 5 672 1 1 5 ALA HB3 H -1.553 1.813 -2.077 1.00 . A A . 5 ALA HB3 1 1 5 673 1 1 5 ALA N N -1.307 2.075 0.887 1.00 . A A . 5 ALA N 1 1 5 674 1 1 5 ALA O O -1.294 -1.157 -0.447 1.00 . A A . 5 ALA O 1 1 5 675 1 1 6 VAL C C 1.448 -1.689 0.062 1.00 . A A . 6 VAL C 1 1 5 676 1 1 6 VAL CA C 1.365 -0.589 -0.989 1.00 . A A . 6 VAL CA 1 1 5 677 1 1 6 VAL CB C 2.742 0.081 -1.130 1.00 . A A . 6 VAL CB 1 1 5 678 1 1 6 VAL CG1 C 3.805 -0.951 -1.475 1.00 . A A . 6 VAL CG1 1 1 5 679 1 1 6 VAL CG2 C 2.696 1.181 -2.180 1.00 . A A . 6 VAL CG2 1 1 5 680 1 1 6 VAL H H 0.580 1.371 -0.595 1.00 . A A . 6 VAL H 1 1 5 681 1 1 6 VAL HA H 1.110 -1.043 -1.941 1.00 . A A . 6 VAL HA 1 1 5 682 1 1 6 VAL HB H 2.998 0.525 -0.165 1.00 . A A . 6 VAL HB 1 1 5 683 1 1 6 VAL HG11 H 4.724 -0.445 -1.769 1.00 . A A . 6 VAL HG11 1 1 5 684 1 1 6 VAL HG12 H 3.449 -1.568 -2.301 1.00 . A A . 6 VAL HG12 1 1 5 685 1 1 6 VAL HG13 H 4.001 -1.582 -0.608 1.00 . A A . 6 VAL HG13 1 1 5 686 1 1 6 VAL HG21 H 3.050 0.791 -3.138 1.00 . A A . 6 VAL HG21 1 1 5 687 1 1 6 VAL HG22 H 3.335 2.013 -1.878 1.00 . A A . 6 VAL HG22 1 1 5 688 1 1 6 VAL HG23 H 1.677 1.543 -2.308 1.00 . A A . 6 VAL HG23 1 1 5 689 1 1 6 VAL N N 0.333 0.386 -0.648 1.00 . A A . 6 VAL N 1 1 5 690 1 1 6 VAL O O 1.845 -2.815 -0.234 1.00 . A A . 6 VAL O 1 1 5 691 1 1 7 GLY C C 0.321 -3.573 2.060 1.00 . A A . 7 GLY C 1 1 5 692 1 1 7 GLY CA C 1.120 -2.323 2.372 1.00 . A A . 7 GLY CA 1 1 5 693 1 1 7 GLY H H 0.758 -0.404 1.482 1.00 . A A . 7 GLY H 1 1 5 694 1 1 7 GLY HA2 H 2.157 -2.603 2.553 1.00 . A A . 7 GLY HA2 1 1 5 695 1 1 7 GLY HA3 H 0.716 -1.863 3.273 1.00 . A A . 7 GLY HA3 1 1 5 696 1 1 7 GLY N N 1.077 -1.354 1.294 1.00 . A A . 7 GLY N 1 1 5 697 1 1 7 GLY O O 0.630 -4.657 2.555 1.00 . A A . 7 GLY O 1 1 5 698 1 1 8 HIS C C -1.027 -5.231 -0.397 1.00 . A A . 8 HIS C 1 1 5 699 1 1 8 HIS CA C -1.559 -4.547 0.859 1.00 . A A . 8 HIS CA 1 1 5 700 1 1 8 HIS CB C -2.996 -4.075 0.629 1.00 . A A . 8 HIS CB 1 1 5 701 1 1 8 HIS CD2 C -4.252 -2.644 2.394 1.00 . A A . 8 HIS CD2 1 1 5 702 1 1 8 HIS CE1 C -4.714 -4.251 3.809 1.00 . A A . 8 HIS CE1 1 1 5 703 1 1 8 HIS CG C -3.750 -3.812 1.903 1.00 . A A . 8 HIS CG 1 1 5 704 1 1 8 HIS H H -0.920 -2.496 0.861 1.00 . A A . 8 HIS H 1 1 5 705 1 1 8 HIS HA H -1.569 -5.278 1.672 1.00 . A A . 8 HIS HA 1 1 5 706 1 1 8 HIS HB2 H -2.969 -3.157 0.044 1.00 . A A . 8 HIS HB2 1 1 5 707 1 1 8 HIS HB3 H -3.536 -4.837 0.061 1.00 . A A . 8 HIS HB3 1 1 5 708 1 1 8 HIS HD1 H -3.812 -5.802 2.724 1.00 . A A . 8 HIS HD1 1 1 5 709 1 1 8 HIS HD2 H -4.371 -1.726 1.838 1.00 . A A . 8 HIS HD2 1 1 5 710 1 1 8 HIS HE1 H -5.086 -4.783 4.672 1.00 . A A . 8 HIS HE1 1 1 5 711 1 1 8 HIS N N -0.712 -3.422 1.236 1.00 . A A . 8 HIS N 1 1 5 712 1 1 8 HIS ND1 N -4.052 -4.815 2.809 1.00 . A A . 8 HIS ND1 1 1 5 713 1 1 8 HIS NE2 N -4.860 -2.939 3.602 1.00 . A A . 8 HIS NE2 1 1 5 714 1 1 8 HIS O O -1.147 -6.447 -0.554 1.00 . A A . 8 HIS O 1 1 5 715 1 1 9 LEU C C 1.326 -5.850 -2.261 1.00 . A A . 9 LEU C 1 1 5 716 1 1 9 LEU CA C 0.109 -4.970 -2.534 1.00 . A A . 9 LEU CA 1 1 5 717 1 1 9 LEU CB C 0.494 -3.825 -3.472 1.00 . A A . 9 LEU CB 1 1 5 718 1 1 9 LEU CD1 C -0.001 -1.599 -4.513 1.00 . A A . 9 LEU CD1 1 1 5 719 1 1 9 LEU CD2 C -1.823 -3.295 -4.270 1.00 . A A . 9 LEU CD2 1 1 5 720 1 1 9 LEU CG C -0.553 -2.726 -3.654 1.00 . A A . 9 LEU CG 1 1 5 721 1 1 9 LEU H H -0.375 -3.442 -1.103 1.00 . A A . 9 LEU H 1 1 5 722 1 1 9 LEU HA H -0.655 -5.573 -3.023 1.00 . A A . 9 LEU HA 1 1 5 723 1 1 9 LEU HB2 H 1.404 -3.368 -3.088 1.00 . A A . 9 LEU HB2 1 1 5 724 1 1 9 LEU HB3 H 0.709 -4.250 -4.453 1.00 . A A . 9 LEU HB3 1 1 5 725 1 1 9 LEU HD11 H 1.027 -1.372 -4.234 1.00 . A A . 9 LEU HD11 1 1 5 726 1 1 9 LEU HD12 H -0.614 -0.709 -4.382 1.00 . A A . 9 LEU HD12 1 1 5 727 1 1 9 LEU HD13 H -0.029 -1.904 -5.561 1.00 . A A . 9 LEU HD13 1 1 5 728 1 1 9 LEU HD21 H -2.494 -2.479 -4.539 1.00 . A A . 9 LEU HD21 1 1 5 729 1 1 9 LEU HD22 H -2.320 -3.952 -3.556 1.00 . A A . 9 LEU HD22 1 1 5 730 1 1 9 LEU HD23 H -1.561 -3.859 -5.164 1.00 . A A . 9 LEU HD23 1 1 5 731 1 1 9 LEU HG H -0.793 -2.322 -2.669 1.00 . A A . 9 LEU HG 1 1 5 732 1 1 9 LEU N N -0.440 -4.442 -1.291 1.00 . A A . 9 LEU N 1 1 5 733 1 1 9 LEU O O 1.550 -6.845 -2.949 1.00 . A A . 9 LEU O 1 1 5 734 1 1 10 MET C C 2.944 -7.687 -0.577 1.00 . A A . 10 MET C 1 1 5 735 1 1 10 MET CA C 3.295 -6.234 -0.886 1.00 . A A . 10 MET CA 1 1 5 736 1 1 10 MET CB C 3.980 -5.596 0.326 1.00 . A A . 10 MET CB 1 1 5 737 1 1 10 MET CE C 6.718 -8.376 0.002 1.00 . A A . 10 MET CE 1 1 5 738 1 1 10 MET CG C 5.453 -5.951 0.448 1.00 . A A . 10 MET CG 1 1 5 739 1 1 10 MET H H 1.863 -4.643 -0.718 1.00 . A A . 10 MET H 1 1 5 740 1 1 10 MET HA H 3.982 -6.213 -1.729 1.00 . A A . 10 MET HA 1 1 5 741 1 1 10 MET HB2 H 3.882 -4.513 0.243 1.00 . A A . 10 MET HB2 1 1 5 742 1 1 10 MET HB3 H 3.470 -5.922 1.236 1.00 . A A . 10 MET HB3 1 1 5 743 1 1 10 MET HE1 H 7.139 -9.290 0.421 1.00 . A A . 10 MET HE1 1 1 5 744 1 1 10 MET HE2 H 6.100 -8.623 -0.861 1.00 . A A . 10 MET HE2 1 1 5 745 1 1 10 MET HE3 H 7.525 -7.711 -0.306 1.00 . A A . 10 MET HE3 1 1 5 746 1 1 10 MET HG2 H 5.899 -5.972 -0.543 1.00 . A A . 10 MET HG2 1 1 5 747 1 1 10 MET HG3 H 5.957 -5.183 1.038 1.00 . A A . 10 MET HG3 1 1 5 748 1 1 10 MET N N 2.104 -5.477 -1.251 1.00 . A A . 10 MET N 1 1 5 749 1 1 10 MET O O 2.140 -7.901 0.315 1.00 . A A . 10 MET O 1 1 5 750 1 1 10 MET SD S 5.718 -7.550 1.238 1.00 . A A . 10 MET SD 1 1 6 751 1 1 1 GLY C C 1.646 8.260 -0.867 1.00 . A A . 1 GLY C 1 1 6 752 1 1 1 GLY CA C 2.303 9.607 -1.096 1.00 . A A . 1 GLY CA 1 1 6 753 1 1 1 GLY H1 H 3.222 9.486 0.731 1.00 . A A . 1 GLY H1 1 1 6 754 1 1 1 GLY H2 H 3.675 10.835 -0.195 1.00 . A A . 1 GLY H2 1 1 6 755 1 1 1 GLY H3 H 4.264 9.292 -0.591 1.00 . A A . 1 GLY H3 1 1 6 756 1 1 1 GLY HA2 H 1.571 10.393 -0.913 1.00 . A A . 1 GLY HA2 1 1 6 757 1 1 1 GLY HA3 H 2.633 9.666 -2.133 1.00 . A A . 1 GLY HA3 1 1 6 758 1 1 1 GLY N N 3.447 9.820 -0.227 1.00 . A A . 1 GLY N 1 1 6 759 1 1 1 GLY O O 1.053 8.022 0.185 1.00 . A A . 1 GLY O 1 1 6 760 1 1 2 ASN C C 2.071 5.101 -0.986 1.00 . A A . 2 ASN C 1 1 6 761 1 1 2 ASN CA C 1.157 6.048 -1.758 1.00 . A A . 2 ASN CA 1 1 6 762 1 1 2 ASN CB C 0.883 5.485 -3.154 1.00 . A A . 2 ASN CB 1 1 6 763 1 1 2 ASN CG C -0.420 5.997 -3.738 1.00 . A A . 2 ASN CG 1 1 6 764 1 1 2 ASN H H 2.251 7.636 -2.704 1.00 . A A . 2 ASN H 1 1 6 765 1 1 2 ASN HA H 0.207 6.121 -1.224 1.00 . A A . 2 ASN HA 1 1 6 766 1 1 2 ASN HB2 H 1.696 5.784 -3.814 1.00 . A A . 2 ASN HB2 1 1 6 767 1 1 2 ASN HB3 H 0.845 4.392 -3.111 1.00 . A A . 2 ASN HB3 1 1 6 768 1 1 2 ASN HD21 H -1.280 4.152 -3.530 1.00 . A A . 2 ASN HD21 1 1 6 769 1 1 2 ASN HD22 H -2.310 5.415 -4.212 1.00 . A A . 2 ASN HD22 1 1 6 770 1 1 2 ASN N N 1.749 7.377 -1.855 1.00 . A A . 2 ASN N 1 1 6 771 1 1 2 ASN ND2 N -1.411 5.117 -3.833 1.00 . A A . 2 ASN ND2 1 1 6 772 1 1 2 ASN O O 2.988 4.505 -1.553 1.00 . A A . 2 ASN O 1 1 6 773 1 1 2 ASN OD1 O -0.534 7.168 -4.101 1.00 . A A . 2 ASN OD1 1 1 6 774 1 1 3 HIS C C 1.730 3.058 1.858 1.00 . A A . 3 HIS C 1 1 6 775 1 1 3 HIS CA C 2.611 4.089 1.162 1.00 . A A . 3 HIS CA 1 1 6 776 1 1 3 HIS CB C 3.375 4.909 2.203 1.00 . A A . 3 HIS CB 1 1 6 777 1 1 3 HIS CD2 C 4.839 3.163 3.448 1.00 . A A . 3 HIS CD2 1 1 6 778 1 1 3 HIS CE1 C 6.799 3.957 2.883 1.00 . A A . 3 HIS CE1 1 1 6 779 1 1 3 HIS CG C 4.651 4.262 2.665 1.00 . A A . 3 HIS CG 1 1 6 780 1 1 3 HIS H H 1.035 5.481 0.722 1.00 . A A . 3 HIS H 1 1 6 781 1 1 3 HIS HA H 3.340 3.549 0.550 1.00 . A A . 3 HIS HA 1 1 6 782 1 1 3 HIS HB2 H 3.628 5.870 1.758 1.00 . A A . 3 HIS HB2 1 1 6 783 1 1 3 HIS HB3 H 2.731 5.084 3.068 1.00 . A A . 3 HIS HB3 1 1 6 784 1 1 3 HIS HD1 H 6.093 5.567 1.738 1.00 . A A . 3 HIS HD1 1 1 6 785 1 1 3 HIS HD2 H 4.083 2.436 3.708 1.00 . A A . 3 HIS HD2 1 1 6 786 1 1 3 HIS HE1 H 7.869 4.085 2.794 1.00 . A A . 3 HIS HE1 1 1 6 787 1 1 3 HIS N N 1.813 4.965 0.311 1.00 . A A . 3 HIS N 1 1 6 788 1 1 3 HIS ND1 N 5.900 4.750 2.317 1.00 . A A . 3 HIS ND1 1 1 6 789 1 1 3 HIS NE2 N 6.205 2.985 3.576 1.00 . A A . 3 HIS NE2 1 1 6 790 1 1 3 HIS O O 2.096 1.887 1.969 1.00 . A A . 3 HIS O 1 1 6 791 1 1 4 TRP C C -0.856 1.511 2.080 1.00 . A A . 4 TRP C 1 1 6 792 1 1 4 TRP CA C -0.365 2.613 3.012 1.00 . A A . 4 TRP CA 1 1 6 793 1 1 4 TRP CB C -1.556 3.410 3.550 1.00 . A A . 4 TRP CB 1 1 6 794 1 1 4 TRP CD1 C -2.149 3.133 6.027 1.00 . A A . 4 TRP CD1 1 1 6 795 1 1 4 TRP CD2 C -3.086 1.608 4.680 1.00 . A A . 4 TRP CD2 1 1 6 796 1 1 4 TRP CE2 C -3.489 1.345 6.004 1.00 . A A . 4 TRP CE2 1 1 6 797 1 1 4 TRP CE3 C -3.551 0.778 3.657 1.00 . A A . 4 TRP CE3 1 1 6 798 1 1 4 TRP CG C -2.229 2.755 4.717 1.00 . A A . 4 TRP CG 1 1 6 799 1 1 4 TRP CH2 C -4.774 -0.509 5.307 1.00 . A A . 4 TRP CH2 1 1 6 800 1 1 4 TRP CZ2 C -4.334 0.288 6.329 1.00 . A A . 4 TRP CZ2 1 1 6 801 1 1 4 TRP CZ3 C -4.390 -0.272 3.982 1.00 . A A . 4 TRP CZ3 1 1 6 802 1 1 4 TRP H H 0.323 4.482 2.204 1.00 . A A . 4 TRP H 1 1 6 803 1 1 4 TRP HA H 0.154 2.152 3.852 1.00 . A A . 4 TRP HA 1 1 6 804 1 1 4 TRP HB2 H -1.197 4.387 3.871 1.00 . A A . 4 TRP HB2 1 1 6 805 1 1 4 TRP HB3 H -2.286 3.551 2.750 1.00 . A A . 4 TRP HB3 1 1 6 806 1 1 4 TRP HD1 H -1.577 3.972 6.396 1.00 . A A . 4 TRP HD1 1 1 6 807 1 1 4 TRP HE1 H -3.018 2.345 7.818 1.00 . A A . 4 TRP HE1 1 1 6 808 1 1 4 TRP HE3 H -3.274 0.957 2.635 1.00 . A A . 4 TRP HE3 1 1 6 809 1 1 4 TRP HH2 H -5.430 -1.337 5.531 1.00 . A A . 4 TRP HH2 1 1 6 810 1 1 4 TRP HZ2 H -4.631 0.101 7.351 1.00 . A A . 4 TRP HZ2 1 1 6 811 1 1 4 TRP HZ3 H -4.752 -0.917 3.195 1.00 . A A . 4 TRP HZ3 1 1 6 812 1 1 4 TRP N N 0.568 3.499 2.326 1.00 . A A . 4 TRP N 1 1 6 813 1 1 4 TRP NE1 N -2.904 2.289 6.807 1.00 . A A . 4 TRP NE1 1 1 6 814 1 1 4 TRP O O -0.799 0.329 2.417 1.00 . A A . 4 TRP O 1 1 6 815 1 1 5 ALA C C -0.767 -0.078 -0.432 1.00 . A A . 5 ALA C 1 1 6 816 1 1 5 ALA CA C -1.836 0.950 -0.075 1.00 . A A . 5 ALA CA 1 1 6 817 1 1 5 ALA CB C -2.310 1.676 -1.325 1.00 . A A . 5 ALA CB 1 1 6 818 1 1 5 ALA H H -1.361 2.901 0.687 1.00 . A A . 5 ALA H 1 1 6 819 1 1 5 ALA HA H -2.687 0.426 0.359 1.00 . A A . 5 ALA HA 1 1 6 820 1 1 5 ALA HB1 H -1.520 2.340 -1.677 1.00 . A A . 5 ALA HB1 1 1 6 821 1 1 5 ALA HB2 H -3.200 2.261 -1.091 1.00 . A A . 5 ALA HB2 1 1 6 822 1 1 5 ALA HB3 H -2.546 0.949 -2.101 1.00 . A A . 5 ALA HB3 1 1 6 823 1 1 5 ALA N N -1.338 1.905 0.906 1.00 . A A . 5 ALA N 1 1 6 824 1 1 5 ALA O O -1.068 -1.256 -0.632 1.00 . A A . 5 ALA O 1 1 6 825 1 1 6 VAL C C 1.675 -1.679 0.131 1.00 . A A . 6 VAL C 1 1 6 826 1 1 6 VAL CA C 1.595 -0.508 -0.841 1.00 . A A . 6 VAL CA 1 1 6 827 1 1 6 VAL CB C 2.931 0.251 -0.828 1.00 . A A . 6 VAL CB 1 1 6 828 1 1 6 VAL CG1 C 4.083 -0.689 -1.155 1.00 . A A . 6 VAL CG1 1 1 6 829 1 1 6 VAL CG2 C 2.894 1.418 -1.803 1.00 . A A . 6 VAL CG2 1 1 6 830 1 1 6 VAL H H 0.664 1.361 -0.331 1.00 . A A . 6 VAL H 1 1 6 831 1 1 6 VAL HA H 1.443 -0.901 -1.844 1.00 . A A . 6 VAL HA 1 1 6 832 1 1 6 VAL HB H 3.088 0.646 0.177 1.00 . A A . 6 VAL HB 1 1 6 833 1 1 6 VAL HG11 H 3.831 -1.264 -2.046 1.00 . A A . 6 VAL HG11 1 1 6 834 1 1 6 VAL HG12 H 4.256 -1.369 -0.321 1.00 . A A . 6 VAL HG12 1 1 6 835 1 1 6 VAL HG13 H 4.987 -0.108 -1.343 1.00 . A A . 6 VAL HG13 1 1 6 836 1 1 6 VAL HG21 H 2.007 2.024 -1.618 1.00 . A A . 6 VAL HG21 1 1 6 837 1 1 6 VAL HG22 H 2.863 1.029 -2.821 1.00 . A A . 6 VAL HG22 1 1 6 838 1 1 6 VAL HG23 H 3.786 2.032 -1.677 1.00 . A A . 6 VAL HG23 1 1 6 839 1 1 6 VAL N N 0.480 0.374 -0.510 1.00 . A A . 6 VAL N 1 1 6 840 1 1 6 VAL O O 2.161 -2.755 -0.217 1.00 . A A . 6 VAL O 1 1 6 841 1 1 7 GLY C C 0.260 -3.637 2.046 1.00 . A A . 7 GLY C 1 1 6 842 1 1 7 GLY CA C 1.224 -2.510 2.356 1.00 . A A . 7 GLY CA 1 1 6 843 1 1 7 GLY H H 0.804 -0.550 1.584 1.00 . A A . 7 GLY H 1 1 6 844 1 1 7 GLY HA2 H 2.233 -2.904 2.432 1.00 . A A . 7 GLY HA2 1 1 6 845 1 1 7 GLY HA3 H 0.947 -2.074 3.315 1.00 . A A . 7 GLY HA3 1 1 6 846 1 1 7 GLY N N 1.197 -1.463 1.352 1.00 . A A . 7 GLY N 1 1 6 847 1 1 7 GLY O O 0.448 -4.767 2.499 1.00 . A A . 7 GLY O 1 1 6 848 1 1 8 HIS C C -1.469 -4.919 -0.471 1.00 . A A . 8 HIS C 1 1 6 849 1 1 8 HIS CA C -1.774 -4.328 0.901 1.00 . A A . 8 HIS CA 1 1 6 850 1 1 8 HIS CB C -3.172 -3.708 0.905 1.00 . A A . 8 HIS CB 1 1 6 851 1 1 8 HIS CD2 C -5.165 -5.364 1.075 1.00 . A A . 8 HIS CD2 1 1 6 852 1 1 8 HIS CE1 C -5.438 -5.726 -1.067 1.00 . A A . 8 HIS CE1 1 1 6 853 1 1 8 HIS CG C -4.240 -4.633 0.392 1.00 . A A . 8 HIS CG 1 1 6 854 1 1 8 HIS H H -0.879 -2.375 0.931 1.00 . A A . 8 HIS H 1 1 6 855 1 1 8 HIS HA H -1.767 -5.139 1.634 1.00 . A A . 8 HIS HA 1 1 6 856 1 1 8 HIS HB2 H -3.423 -3.414 1.923 1.00 . A A . 8 HIS HB2 1 1 6 857 1 1 8 HIS HB3 H -3.152 -2.816 0.276 1.00 . A A . 8 HIS HB3 1 1 6 858 1 1 8 HIS HD1 H -3.892 -4.473 -1.728 1.00 . A A . 8 HIS HD1 1 1 6 859 1 1 8 HIS HD2 H -5.423 -5.238 2.116 1.00 . A A . 8 HIS HD2 1 1 6 860 1 1 8 HIS HE1 H -5.820 -6.103 -2.004 1.00 . A A . 8 HIS HE1 1 1 6 861 1 1 8 HIS N N -0.776 -3.331 1.272 1.00 . A A . 8 HIS N 1 1 6 862 1 1 8 HIS ND1 N -4.428 -4.875 -0.959 1.00 . A A . 8 HIS ND1 1 1 6 863 1 1 8 HIS NE2 N -5.916 -6.050 0.138 1.00 . A A . 8 HIS NE2 1 1 6 864 1 1 8 HIS O O -1.604 -6.125 -0.684 1.00 . A A . 8 HIS O 1 1 6 865 1 1 9 LEU C C 0.463 -5.443 -2.750 1.00 . A A . 9 LEU C 1 1 6 866 1 1 9 LEU CA C -0.735 -4.499 -2.754 1.00 . A A . 9 LEU CA 1 1 6 867 1 1 9 LEU CB C -0.445 -3.291 -3.646 1.00 . A A . 9 LEU CB 1 1 6 868 1 1 9 LEU CD1 C -0.959 -0.890 -4.149 1.00 . A A . 9 LEU CD1 1 1 6 869 1 1 9 LEU CD2 C -2.652 -2.661 -4.652 1.00 . A A . 9 LEU CD2 1 1 6 870 1 1 9 LEU CG C -1.539 -2.225 -3.710 1.00 . A A . 9 LEU CG 1 1 6 871 1 1 9 LEU H H -0.971 -3.075 -1.161 1.00 . A A . 9 LEU H 1 1 6 872 1 1 9 LEU HA H -1.594 -5.027 -3.164 1.00 . A A . 9 LEU HA 1 1 6 873 1 1 9 LEU HB2 H 0.470 -2.827 -3.275 1.00 . A A . 9 LEU HB2 1 1 6 874 1 1 9 LEU HB3 H -0.257 -3.655 -4.659 1.00 . A A . 9 LEU HB3 1 1 6 875 1 1 9 LEU HD11 H -0.431 -1.024 -5.093 1.00 . A A . 9 LEU HD11 1 1 6 876 1 1 9 LEU HD12 H -0.269 -0.517 -3.396 1.00 . A A . 9 LEU HD12 1 1 6 877 1 1 9 LEU HD13 H -1.768 -0.172 -4.286 1.00 . A A . 9 LEU HD13 1 1 6 878 1 1 9 LEU HD21 H -2.232 -2.826 -5.643 1.00 . A A . 9 LEU HD21 1 1 6 879 1 1 9 LEU HD22 H -3.410 -1.879 -4.704 1.00 . A A . 9 LEU HD22 1 1 6 880 1 1 9 LEU HD23 H -3.106 -3.583 -4.291 1.00 . A A . 9 LEU HD23 1 1 6 881 1 1 9 LEU HG H -1.954 -2.109 -2.707 1.00 . A A . 9 LEU HG 1 1 6 882 1 1 9 LEU N N -1.059 -4.063 -1.400 1.00 . A A . 9 LEU N 1 1 6 883 1 1 9 LEU O O 0.531 -6.379 -3.547 1.00 . A A . 9 LEU O 1 1 6 884 1 1 10 MET C C 2.227 -7.483 -1.521 1.00 . A A . 10 MET C 1 1 6 885 1 1 10 MET CA C 2.600 -6.020 -1.738 1.00 . A A . 10 MET CA 1 1 6 886 1 1 10 MET CB C 3.483 -5.531 -0.588 1.00 . A A . 10 MET CB 1 1 6 887 1 1 10 MET CE C 4.226 -6.602 2.830 1.00 . A A . 10 MET CE 1 1 6 888 1 1 10 MET CG C 2.768 -5.492 0.753 1.00 . A A . 10 MET CG 1 1 6 889 1 1 10 MET H H 1.288 -4.400 -1.213 1.00 . A A . 10 MET H 1 1 6 890 1 1 10 MET HA H 3.159 -5.941 -2.670 1.00 . A A . 10 MET HA 1 1 6 891 1 1 10 MET HB2 H 4.336 -6.204 -0.499 1.00 . A A . 10 MET HB2 1 1 6 892 1 1 10 MET HB3 H 3.850 -4.532 -0.836 1.00 . A A . 10 MET HB3 1 1 6 893 1 1 10 MET HE1 H 4.575 -7.497 3.347 1.00 . A A . 10 MET HE1 1 1 6 894 1 1 10 MET HE2 H 5.057 -6.148 2.289 1.00 . A A . 10 MET HE2 1 1 6 895 1 1 10 MET HE3 H 3.835 -5.891 3.558 1.00 . A A . 10 MET HE3 1 1 6 896 1 1 10 MET HG2 H 3.190 -4.694 1.357 1.00 . A A . 10 MET HG2 1 1 6 897 1 1 10 MET HG3 H 1.712 -5.285 0.580 1.00 . A A . 10 MET HG3 1 1 6 898 1 1 10 MET N N 1.404 -5.191 -1.847 1.00 . A A . 10 MET N 1 1 6 899 1 1 10 MET O O 1.100 -7.736 -1.128 1.00 . A A . 10 MET O 1 1 6 900 1 1 10 MET SD S 2.929 -7.033 1.672 1.00 . A A . 10 MET SD 1 1 7 901 1 1 1 GLY C C 1.221 8.297 0.034 1.00 . A A . 1 GLY C 1 1 7 902 1 1 1 GLY CA C 2.247 9.412 -0.001 1.00 . A A . 1 GLY CA 1 1 7 903 1 1 1 GLY H1 H 3.081 10.825 1.225 1.00 . A A . 1 GLY H1 1 1 7 904 1 1 1 GLY H2 H 3.072 9.252 1.866 1.00 . A A . 1 GLY H2 1 1 7 905 1 1 1 GLY H3 H 1.635 10.157 1.804 1.00 . A A . 1 GLY H3 1 1 7 906 1 1 1 GLY HA2 H 1.874 10.215 -0.638 1.00 . A A . 1 GLY HA2 1 1 7 907 1 1 1 GLY HA3 H 3.173 9.025 -0.427 1.00 . A A . 1 GLY HA3 1 1 7 908 1 1 1 GLY N N 2.529 9.950 1.316 1.00 . A A . 1 GLY N 1 1 7 909 1 1 1 GLY O O 0.375 8.251 0.927 1.00 . A A . 1 GLY O 1 1 7 910 1 1 2 ASN C C 1.028 4.982 -0.553 1.00 . A A . 2 ASN C 1 1 7 911 1 1 2 ASN CA C 0.363 6.275 -1.015 1.00 . A A . 2 ASN CA 1 1 7 912 1 1 2 ASN CB C -0.154 6.112 -2.447 1.00 . A A . 2 ASN CB 1 1 7 913 1 1 2 ASN CG C -1.408 5.261 -2.515 1.00 . A A . 2 ASN CG 1 1 7 914 1 1 2 ASN H H 2.019 7.487 -1.652 1.00 . A A . 2 ASN H 1 1 7 915 1 1 2 ASN HA H -0.496 6.469 -0.366 1.00 . A A . 2 ASN HA 1 1 7 916 1 1 2 ASN HB2 H -0.381 7.099 -2.851 1.00 . A A . 2 ASN HB2 1 1 7 917 1 1 2 ASN HB3 H 0.627 5.652 -3.055 1.00 . A A . 2 ASN HB3 1 1 7 918 1 1 2 ASN HD21 H -0.741 4.350 -4.220 1.00 . A A . 2 ASN HD21 1 1 7 919 1 1 2 ASN HD22 H -2.313 3.814 -3.616 1.00 . A A . 2 ASN HD22 1 1 7 920 1 1 2 ASN N N 1.295 7.395 -0.939 1.00 . A A . 2 ASN N 1 1 7 921 1 1 2 ASN ND2 N -1.490 4.410 -3.530 1.00 . A A . 2 ASN ND2 1 1 7 922 1 1 2 ASN O O 0.680 3.893 -1.012 1.00 . A A . 2 ASN O 1 1 7 923 1 1 2 ASN OD1 O -2.291 5.369 -1.663 1.00 . A A . 2 ASN OD1 1 1 7 924 1 1 3 HIS C C 1.764 3.053 1.686 1.00 . A A . 3 HIS C 1 1 7 925 1 1 3 HIS CA C 2.701 3.950 0.883 1.00 . A A . 3 HIS CA 1 1 7 926 1 1 3 HIS CB C 3.872 4.400 1.757 1.00 . A A . 3 HIS CB 1 1 7 927 1 1 3 HIS CD2 C 5.799 2.674 1.511 1.00 . A A . 3 HIS CD2 1 1 7 928 1 1 3 HIS CE1 C 5.596 1.717 3.469 1.00 . A A . 3 HIS CE1 1 1 7 929 1 1 3 HIS CG C 4.774 3.273 2.182 1.00 . A A . 3 HIS CG 1 1 7 930 1 1 3 HIS H H 2.228 6.039 0.702 1.00 . A A . 3 HIS H 1 1 7 931 1 1 3 HIS HA H 3.102 3.379 0.049 1.00 . A A . 3 HIS HA 1 1 7 932 1 1 3 HIS HB2 H 4.461 5.130 1.205 1.00 . A A . 3 HIS HB2 1 1 7 933 1 1 3 HIS HB3 H 3.468 4.878 2.650 1.00 . A A . 3 HIS HB3 1 1 7 934 1 1 3 HIS HD1 H 3.988 2.880 4.149 1.00 . A A . 3 HIS HD1 1 1 7 935 1 1 3 HIS HD2 H 6.278 3.054 0.620 1.00 . A A . 3 HIS HD2 1 1 7 936 1 1 3 HIS HE1 H 5.760 1.066 4.314 1.00 . A A . 3 HIS HE1 1 1 7 937 1 1 3 HIS N N 1.988 5.109 0.357 1.00 . A A . 3 HIS N 1 1 7 938 1 1 3 HIS ND1 N 4.661 2.656 3.417 1.00 . A A . 3 HIS ND1 1 1 7 939 1 1 3 HIS NE2 N 6.307 1.691 2.341 1.00 . A A . 3 HIS NE2 1 1 7 940 1 1 3 HIS O O 1.985 1.847 1.794 1.00 . A A . 3 HIS O 1 1 7 941 1 1 4 TRP C C -0.882 1.786 2.219 1.00 . A A . 4 TRP C 1 1 7 942 1 1 4 TRP CA C -0.251 2.905 3.040 1.00 . A A . 4 TRP CA 1 1 7 943 1 1 4 TRP CB C -1.339 3.843 3.566 1.00 . A A . 4 TRP CB 1 1 7 944 1 1 4 TRP CD1 C -1.753 3.844 6.095 1.00 . A A . 4 TRP CD1 1 1 7 945 1 1 4 TRP CD2 C -2.932 2.308 4.970 1.00 . A A . 4 TRP CD2 1 1 7 946 1 1 4 TRP CE2 C -3.249 2.204 6.339 1.00 . A A . 4 TRP CE2 1 1 7 947 1 1 4 TRP CE3 C -3.554 1.441 4.068 1.00 . A A . 4 TRP CE3 1 1 7 948 1 1 4 TRP CG C -1.974 3.363 4.836 1.00 . A A . 4 TRP CG 1 1 7 949 1 1 4 TRP CH2 C -4.752 0.432 5.917 1.00 . A A . 4 TRP CH2 1 1 7 950 1 1 4 TRP CZ2 C -4.159 1.267 6.823 1.00 . A A . 4 TRP CZ2 1 1 7 951 1 1 4 TRP CZ3 C -4.457 0.513 4.549 1.00 . A A . 4 TRP CZ3 1 1 7 952 1 1 4 TRP H H 0.589 4.654 2.118 1.00 . A A . 4 TRP H 1 1 7 953 1 1 4 TRP HA H 0.270 2.463 3.889 1.00 . A A . 4 TRP HA 1 1 7 954 1 1 4 TRP HB2 H -0.887 4.815 3.761 1.00 . A A . 4 TRP HB2 1 1 7 955 1 1 4 TRP HB3 H -2.113 3.966 2.804 1.00 . A A . 4 TRP HB3 1 1 7 956 1 1 4 TRP HD1 H -1.077 4.650 6.341 1.00 . A A . 4 TRP HD1 1 1 7 957 1 1 4 TRP HE1 H -2.542 3.307 8.011 1.00 . A A . 4 TRP HE1 1 1 7 958 1 1 4 TRP HE3 H -3.337 1.500 3.014 1.00 . A A . 4 TRP HE3 1 1 7 959 1 1 4 TRP HH2 H -5.462 -0.303 6.265 1.00 . A A . 4 TRP HH2 1 1 7 960 1 1 4 TRP HZ2 H -4.388 1.202 7.876 1.00 . A A . 4 TRP HZ2 1 1 7 961 1 1 4 TRP HZ3 H -4.940 -0.159 3.856 1.00 . A A . 4 TRP HZ3 1 1 7 962 1 1 4 TRP N N 0.718 3.650 2.246 1.00 . A A . 4 TRP N 1 1 7 963 1 1 4 TRP NE1 N -2.516 3.151 7.004 1.00 . A A . 4 TRP NE1 1 1 7 964 1 1 4 TRP O O -1.000 0.653 2.684 1.00 . A A . 4 TRP O 1 1 7 965 1 1 5 ALA C C -0.916 0.029 -0.262 1.00 . A A . 5 ALA C 1 1 7 966 1 1 5 ALA CA C -1.902 1.132 0.108 1.00 . A A . 5 ALA CA 1 1 7 967 1 1 5 ALA CB C -2.429 1.813 -1.145 1.00 . A A . 5 ALA CB 1 1 7 968 1 1 5 ALA H H -1.162 3.068 0.667 1.00 . A A . 5 ALA H 1 1 7 969 1 1 5 ALA HA H -2.743 0.680 0.632 1.00 . A A . 5 ALA HA 1 1 7 970 1 1 5 ALA HB1 H -1.591 2.084 -1.788 1.00 . A A . 5 ALA HB1 1 1 7 971 1 1 5 ALA HB2 H -2.978 2.713 -0.866 1.00 . A A . 5 ALA HB2 1 1 7 972 1 1 5 ALA HB3 H -3.091 1.134 -1.680 1.00 . A A . 5 ALA HB3 1 1 7 973 1 1 5 ALA N N -1.286 2.110 0.995 1.00 . A A . 5 ALA N 1 1 7 974 1 1 5 ALA O O -1.299 -1.129 -0.429 1.00 . A A . 5 ALA O 1 1 7 975 1 1 6 VAL C C 1.421 -1.729 0.243 1.00 . A A . 6 VAL C 1 1 7 976 1 1 6 VAL CA C 1.398 -0.563 -0.738 1.00 . A A . 6 VAL CA 1 1 7 977 1 1 6 VAL CB C 2.785 0.102 -0.763 1.00 . A A . 6 VAL CB 1 1 7 978 1 1 6 VAL CG1 C 3.854 -0.907 -1.156 1.00 . A A . 6 VAL CG1 1 1 7 979 1 1 6 VAL CG2 C 2.790 1.291 -1.713 1.00 . A A . 6 VAL CG2 1 1 7 980 1 1 6 VAL H H 0.609 1.372 -0.234 1.00 . A A . 6 VAL H 1 1 7 981 1 1 6 VAL HA H 1.189 -0.951 -1.723 1.00 . A A . 6 VAL HA 1 1 7 982 1 1 6 VAL HB H 3.014 0.457 0.239 1.00 . A A . 6 VAL HB 1 1 7 983 1 1 6 VAL HG11 H 3.994 -1.629 -0.352 1.00 . A A . 6 VAL HG11 1 1 7 984 1 1 6 VAL HG12 H 4.796 -0.388 -1.345 1.00 . A A . 6 VAL HG12 1 1 7 985 1 1 6 VAL HG13 H 3.537 -1.426 -2.060 1.00 . A A . 6 VAL HG13 1 1 7 986 1 1 6 VAL HG21 H 3.733 1.829 -1.625 1.00 . A A . 6 VAL HG21 1 1 7 987 1 1 6 VAL HG22 H 1.966 1.958 -1.470 1.00 . A A . 6 VAL HG22 1 1 7 988 1 1 6 VAL HG23 H 2.672 0.928 -2.735 1.00 . A A . 6 VAL HG23 1 1 7 989 1 1 6 VAL N N 0.355 0.396 -0.388 1.00 . A A . 6 VAL N 1 1 7 990 1 1 6 VAL O O 1.855 -2.830 -0.096 1.00 . A A . 6 VAL O 1 1 7 991 1 1 7 GLY C C 0.166 -3.752 2.023 1.00 . A A . 7 GLY C 1 1 7 992 1 1 7 GLY CA C 0.928 -2.521 2.474 1.00 . A A . 7 GLY CA 1 1 7 993 1 1 7 GLY H H 0.604 -0.550 1.687 1.00 . A A . 7 GLY H 1 1 7 994 1 1 7 GLY HA2 H 1.953 -2.807 2.711 1.00 . A A . 7 GLY HA2 1 1 7 995 1 1 7 GLY HA3 H 0.455 -2.124 3.372 1.00 . A A . 7 GLY HA3 1 1 7 996 1 1 7 GLY N N 0.952 -1.482 1.461 1.00 . A A . 7 GLY N 1 1 7 997 1 1 7 GLY O O 0.406 -4.854 2.515 1.00 . A A . 7 GLY O 1 1 7 998 1 1 8 HIS C C -0.867 -5.333 -0.617 1.00 . A A . 8 HIS C 1 1 7 999 1 1 8 HIS CA C -1.559 -4.668 0.569 1.00 . A A . 8 HIS CA 1 1 7 1000 1 1 8 HIS CB C -2.945 -4.170 0.153 1.00 . A A . 8 HIS CB 1 1 7 1001 1 1 8 HIS CD2 C -5.186 -3.764 1.400 1.00 . A A . 8 HIS CD2 1 1 7 1002 1 1 8 HIS CE1 C -4.349 -3.243 3.356 1.00 . A A . 8 HIS CE1 1 1 7 1003 1 1 8 HIS CG C -3.827 -3.822 1.320 1.00 . A A . 8 HIS CG 1 1 7 1004 1 1 8 HIS H H -0.912 -2.623 0.719 1.00 . A A . 8 HIS H 1 1 7 1005 1 1 8 HIS HA H -1.693 -5.413 1.357 1.00 . A A . 8 HIS HA 1 1 7 1006 1 1 8 HIS HB2 H -2.821 -3.280 -0.460 1.00 . A A . 8 HIS HB2 1 1 7 1007 1 1 8 HIS HB3 H -3.437 -4.941 -0.443 1.00 . A A . 8 HIS HB3 1 1 7 1008 1 1 8 HIS HD1 H -2.331 -3.445 2.824 1.00 . A A . 8 HIS HD1 1 1 7 1009 1 1 8 HIS HD2 H -5.867 -3.757 0.562 1.00 . A A . 8 HIS HD2 1 1 7 1010 1 1 8 HIS HE1 H -4.267 -2.956 4.394 1.00 . A A . 8 HIS HE1 1 1 7 1011 1 1 8 HIS N N -0.757 -3.563 1.085 1.00 . A A . 8 HIS N 1 1 7 1012 1 1 8 HIS ND1 N -3.316 -3.490 2.564 1.00 . A A . 8 HIS ND1 1 1 7 1013 1 1 8 HIS NE2 N -5.500 -3.395 2.697 1.00 . A A . 8 HIS NE2 1 1 7 1014 1 1 8 HIS O O -0.960 -6.547 -0.801 1.00 . A A . 8 HIS O 1 1 7 1015 1 1 9 LEU C C 1.755 -5.854 -2.172 1.00 . A A . 9 LEU C 1 1 7 1016 1 1 9 LEU CA C 0.532 -5.042 -2.587 1.00 . A A . 9 LEU CA 1 1 7 1017 1 1 9 LEU CB C 0.959 -3.887 -3.495 1.00 . A A . 9 LEU CB 1 1 7 1018 1 1 9 LEU CD1 C 0.407 -1.668 -4.523 1.00 . A A . 9 LEU CD1 1 1 7 1019 1 1 9 LEU CD2 C -0.991 -3.672 -5.056 1.00 . A A . 9 LEU CD2 1 1 7 1020 1 1 9 LEU CG C -0.164 -2.972 -3.989 1.00 . A A . 9 LEU CG 1 1 7 1021 1 1 9 LEU H H -0.137 -3.532 -1.212 1.00 . A A . 9 LEU H 1 1 7 1022 1 1 9 LEU HA H -0.141 -5.688 -3.147 1.00 . A A . 9 LEU HA 1 1 7 1023 1 1 9 LEU HB2 H 1.681 -3.293 -2.937 1.00 . A A . 9 LEU HB2 1 1 7 1024 1 1 9 LEU HB3 H 1.463 -4.309 -4.365 1.00 . A A . 9 LEU HB3 1 1 7 1025 1 1 9 LEU HD11 H -0.371 -0.903 -4.512 1.00 . A A . 9 LEU HD11 1 1 7 1026 1 1 9 LEU HD12 H 0.741 -1.822 -5.551 1.00 . A A . 9 LEU HD12 1 1 7 1027 1 1 9 LEU HD13 H 1.249 -1.328 -3.932 1.00 . A A . 9 LEU HD13 1 1 7 1028 1 1 9 LEU HD21 H -1.551 -4.496 -4.614 1.00 . A A . 9 LEU HD21 1 1 7 1029 1 1 9 LEU HD22 H -0.330 -4.057 -5.832 1.00 . A A . 9 LEU HD22 1 1 7 1030 1 1 9 LEU HD23 H -1.688 -2.959 -5.496 1.00 . A A . 9 LEU HD23 1 1 7 1031 1 1 9 LEU HG H -0.808 -2.744 -3.139 1.00 . A A . 9 LEU HG 1 1 7 1032 1 1 9 LEU N N -0.174 -4.531 -1.418 1.00 . A A . 9 LEU N 1 1 7 1033 1 1 9 LEU O O 1.885 -7.024 -2.529 1.00 . A A . 9 LEU O 1 1 7 1034 1 1 10 MET C C 3.557 -6.787 0.252 1.00 . A A . 10 MET C 1 1 7 1035 1 1 10 MET CA C 3.857 -5.892 -0.946 1.00 . A A . 10 MET CA 1 1 7 1036 1 1 10 MET CB C 4.923 -4.859 -0.573 1.00 . A A . 10 MET CB 1 1 7 1037 1 1 10 MET CE C 8.121 -4.359 -2.287 1.00 . A A . 10 MET CE 1 1 7 1038 1 1 10 MET CG C 5.419 -4.045 -1.756 1.00 . A A . 10 MET CG 1 1 7 1039 1 1 10 MET H H 2.483 -4.254 -1.152 1.00 . A A . 10 MET H 1 1 7 1040 1 1 10 MET HA H 4.250 -6.513 -1.752 1.00 . A A . 10 MET HA 1 1 7 1041 1 1 10 MET HB2 H 4.504 -4.184 0.172 1.00 . A A . 10 MET HB2 1 1 7 1042 1 1 10 MET HB3 H 5.773 -5.383 -0.135 1.00 . A A . 10 MET HB3 1 1 7 1043 1 1 10 MET HE1 H 8.916 -4.824 -2.871 1.00 . A A . 10 MET HE1 1 1 7 1044 1 1 10 MET HE2 H 8.262 -4.591 -1.232 1.00 . A A . 10 MET HE2 1 1 7 1045 1 1 10 MET HE3 H 8.149 -3.278 -2.428 1.00 . A A . 10 MET HE3 1 1 7 1046 1 1 10 MET HG2 H 4.557 -3.725 -2.340 1.00 . A A . 10 MET HG2 1 1 7 1047 1 1 10 MET HG3 H 5.945 -3.163 -1.389 1.00 . A A . 10 MET HG3 1 1 7 1048 1 1 10 MET N N 2.647 -5.226 -1.414 1.00 . A A . 10 MET N 1 1 7 1049 1 1 10 MET O O 3.238 -7.945 0.038 1.00 . A A . 10 MET O 1 1 7 1050 1 1 10 MET SD S 6.529 -4.979 -2.826 1.00 . A A . 10 MET SD 1 1 8 1051 1 1 1 GLY C C 1.839 8.142 -0.557 1.00 . A A . 1 GLY C 1 1 8 1052 1 1 1 GLY CA C 3.083 9.005 -0.628 1.00 . A A . 1 GLY CA 1 1 8 1053 1 1 1 GLY H1 H 2.281 10.792 -1.222 1.00 . A A . 1 GLY H1 1 1 8 1054 1 1 1 GLY H2 H 2.609 9.710 -2.490 1.00 . A A . 1 GLY H2 1 1 8 1055 1 1 1 GLY H3 H 3.879 10.542 -1.725 1.00 . A A . 1 GLY H3 1 1 8 1056 1 1 1 GLY HA2 H 3.928 8.380 -0.916 1.00 . A A . 1 GLY HA2 1 1 8 1057 1 1 1 GLY HA3 H 3.275 9.427 0.359 1.00 . A A . 1 GLY HA3 1 1 8 1058 1 1 1 GLY N N 2.954 10.089 -1.584 1.00 . A A . 1 GLY N 1 1 8 1059 1 1 1 GLY O O 0.793 8.588 -0.087 1.00 . A A . 1 GLY O 1 1 8 1060 1 1 2 ASN C C 1.227 4.639 -0.410 1.00 . A A . 2 ASN C 1 1 8 1061 1 1 2 ASN CA C 0.825 5.979 -1.020 1.00 . A A . 2 ASN CA 1 1 8 1062 1 1 2 ASN CB C 0.299 5.768 -2.440 1.00 . A A . 2 ASN CB 1 1 8 1063 1 1 2 ASN CG C -1.077 5.128 -2.459 1.00 . A A . 2 ASN CG 1 1 8 1064 1 1 2 ASN H H 2.845 6.594 -1.407 1.00 . A A . 2 ASN H 1 1 8 1065 1 1 2 ASN HA H 0.011 6.393 -0.418 1.00 . A A . 2 ASN HA 1 1 8 1066 1 1 2 ASN HB2 H 0.241 6.736 -2.937 1.00 . A A . 2 ASN HB2 1 1 8 1067 1 1 2 ASN HB3 H 1.000 5.133 -2.984 1.00 . A A . 2 ASN HB3 1 1 8 1068 1 1 2 ASN HD21 H -0.709 4.304 -4.296 1.00 . A A . 2 ASN HD21 1 1 8 1069 1 1 2 ASN HD22 H -2.291 3.953 -3.590 1.00 . A A . 2 ASN HD22 1 1 8 1070 1 1 2 ASN N N 1.951 6.905 -1.029 1.00 . A A . 2 ASN N 1 1 8 1071 1 1 2 ASN ND2 N -1.379 4.407 -3.533 1.00 . A A . 2 ASN ND2 1 1 8 1072 1 1 2 ASN O O 0.643 3.601 -0.723 1.00 . A A . 2 ASN O 1 1 8 1073 1 1 2 ASN OD1 O -1.857 5.280 -1.520 1.00 . A A . 2 ASN OD1 1 1 8 1074 1 1 3 HIS C C 1.569 2.737 1.830 1.00 . A A . 3 HIS C 1 1 8 1075 1 1 3 HIS CA C 2.709 3.458 1.119 1.00 . A A . 3 HIS CA 1 1 8 1076 1 1 3 HIS CB C 3.816 3.798 2.116 1.00 . A A . 3 HIS CB 1 1 8 1077 1 1 3 HIS CD2 C 5.572 4.407 0.302 1.00 . A A . 3 HIS CD2 1 1 8 1078 1 1 3 HIS CE1 C 7.344 3.634 1.330 1.00 . A A . 3 HIS CE1 1 1 8 1079 1 1 3 HIS CG C 5.185 3.885 1.500 1.00 . A A . 3 HIS CG 1 1 8 1080 1 1 3 HIS H H 2.669 5.563 0.684 1.00 . A A . 3 HIS H 1 1 8 1081 1 1 3 HIS HA H 3.120 2.802 0.359 1.00 . A A . 3 HIS HA 1 1 8 1082 1 1 3 HIS HB2 H 3.585 4.758 2.573 1.00 . A A . 3 HIS HB2 1 1 8 1083 1 1 3 HIS HB3 H 3.844 3.036 2.901 1.00 . A A . 3 HIS HB3 1 1 8 1084 1 1 3 HIS HD1 H 6.355 2.951 3.049 1.00 . A A . 3 HIS HD1 1 1 8 1085 1 1 3 HIS HD2 H 4.915 4.666 -0.516 1.00 . A A . 3 HIS HD2 1 1 8 1086 1 1 3 HIS HE1 H 8.367 3.366 1.552 1.00 . A A . 3 HIS HE1 1 1 8 1087 1 1 3 HIS N N 2.229 4.670 0.463 1.00 . A A . 3 HIS N 1 1 8 1088 1 1 3 HIS ND1 N 6.317 3.402 2.135 1.00 . A A . 3 HIS ND1 1 1 8 1089 1 1 3 HIS NE2 N 6.942 4.240 0.210 1.00 . A A . 3 HIS NE2 1 1 8 1090 1 1 3 HIS O O 1.571 1.511 1.941 1.00 . A A . 3 HIS O 1 1 8 1091 1 1 4 TRP C C -1.205 1.840 2.183 1.00 . A A . 4 TRP C 1 1 8 1092 1 1 4 TRP CA C -0.549 2.937 3.011 1.00 . A A . 4 TRP CA 1 1 8 1093 1 1 4 TRP CB C -1.568 4.032 3.331 1.00 . A A . 4 TRP CB 1 1 8 1094 1 1 4 TRP CD1 C -2.269 4.285 5.783 1.00 . A A . 4 TRP CD1 1 1 8 1095 1 1 4 TRP CD2 C -3.490 2.809 4.626 1.00 . A A . 4 TRP CD2 1 1 8 1096 1 1 4 TRP CE2 C -3.973 2.853 5.947 1.00 . A A . 4 TRP CE2 1 1 8 1097 1 1 4 TRP CE3 C -4.106 1.949 3.712 1.00 . A A . 4 TRP CE3 1 1 8 1098 1 1 4 TRP CG C -2.400 3.732 4.542 1.00 . A A . 4 TRP CG 1 1 8 1099 1 1 4 TRP CH2 C -5.627 1.237 5.461 1.00 . A A . 4 TRP CH2 1 1 8 1100 1 1 4 TRP CZ2 C -5.042 2.070 6.376 1.00 . A A . 4 TRP CZ2 1 1 8 1101 1 1 4 TRP CZ3 C -5.167 1.172 4.138 1.00 . A A . 4 TRP CZ3 1 1 8 1102 1 1 4 TRP H H 0.656 4.515 2.188 1.00 . A A . 4 TRP H 1 1 8 1103 1 1 4 TRP HA H -0.196 2.502 3.947 1.00 . A A . 4 TRP HA 1 1 8 1104 1 1 4 TRP HB2 H -1.027 4.958 3.515 1.00 . A A . 4 TRP HB2 1 1 8 1105 1 1 4 TRP HB3 H -2.227 4.178 2.472 1.00 . A A . 4 TRP HB3 1 1 8 1106 1 1 4 TRP HD1 H -1.534 5.026 6.056 1.00 . A A . 4 TRP HD1 1 1 8 1107 1 1 4 TRP HE1 H -3.335 4.000 7.619 1.00 . A A . 4 TRP HE1 1 1 8 1108 1 1 4 TRP HE3 H -3.762 1.896 2.692 1.00 . A A . 4 TRP HE3 1 1 8 1109 1 1 4 TRP HH2 H -6.459 0.619 5.767 1.00 . A A . 4 TRP HH2 1 1 8 1110 1 1 4 TRP HZ2 H -5.398 2.117 7.395 1.00 . A A . 4 TRP HZ2 1 1 8 1111 1 1 4 TRP HZ3 H -5.646 0.506 3.436 1.00 . A A . 4 TRP HZ3 1 1 8 1112 1 1 4 TRP N N 0.598 3.504 2.310 1.00 . A A . 4 TRP N 1 1 8 1113 1 1 4 TRP NE1 N -3.211 3.761 6.634 1.00 . A A . 4 TRP NE1 1 1 8 1114 1 1 4 TRP O O -1.594 0.798 2.713 1.00 . A A . 4 TRP O 1 1 8 1115 1 1 5 ALA C C -0.933 0.027 -0.419 1.00 . A A . 5 ALA C 1 1 8 1116 1 1 5 ALA CA C -1.932 1.107 -0.020 1.00 . A A . 5 ALA CA 1 1 8 1117 1 1 5 ALA CB C -2.479 1.804 -1.257 1.00 . A A . 5 ALA CB 1 1 8 1118 1 1 5 ALA H H -0.983 2.961 0.503 1.00 . A A . 5 ALA H 1 1 8 1119 1 1 5 ALA HA H -2.767 0.628 0.494 1.00 . A A . 5 ALA HA 1 1 8 1120 1 1 5 ALA HB1 H -2.894 1.064 -1.940 1.00 . A A . 5 ALA HB1 1 1 8 1121 1 1 5 ALA HB2 H -1.671 2.343 -1.752 1.00 . A A . 5 ALA HB2 1 1 8 1122 1 1 5 ALA HB3 H -3.260 2.506 -0.966 1.00 . A A . 5 ALA HB3 1 1 8 1123 1 1 5 ALA N N -1.325 2.078 0.882 1.00 . A A . 5 ALA N 1 1 8 1124 1 1 5 ALA O O -1.296 -1.137 -0.593 1.00 . A A . 5 ALA O 1 1 8 1125 1 1 6 VAL C C 1.530 -1.623 0.096 1.00 . A A . 6 VAL C 1 1 8 1126 1 1 6 VAL CA C 1.384 -0.517 -0.941 1.00 . A A . 6 VAL CA 1 1 8 1127 1 1 6 VAL CB C 2.735 0.200 -1.109 1.00 . A A . 6 VAL CB 1 1 8 1128 1 1 6 VAL CG1 C 3.802 -0.777 -1.580 1.00 . A A . 6 VAL CG1 1 1 8 1129 1 1 6 VAL CG2 C 2.604 1.366 -2.078 1.00 . A A . 6 VAL CG2 1 1 8 1130 1 1 6 VAL H H 0.567 1.398 -0.403 1.00 . A A . 6 VAL H 1 1 8 1131 1 1 6 VAL HA H 1.127 -0.951 -1.885 1.00 . A A . 6 VAL HA 1 1 8 1132 1 1 6 VAL HB H 3.037 0.579 -0.137 1.00 . A A . 6 VAL HB 1 1 8 1133 1 1 6 VAL HG11 H 4.028 -1.490 -0.787 1.00 . A A . 6 VAL HG11 1 1 8 1134 1 1 6 VAL HG12 H 4.707 -0.229 -1.845 1.00 . A A . 6 VAL HG12 1 1 8 1135 1 1 6 VAL HG13 H 3.432 -1.313 -2.454 1.00 . A A . 6 VAL HG13 1 1 8 1136 1 1 6 VAL HG21 H 2.612 0.985 -3.099 1.00 . A A . 6 VAL HG21 1 1 8 1137 1 1 6 VAL HG22 H 3.442 2.050 -1.941 1.00 . A A . 6 VAL HG22 1 1 8 1138 1 1 6 VAL HG23 H 1.675 1.899 -1.903 1.00 . A A . 6 VAL HG23 1 1 8 1139 1 1 6 VAL N N 0.330 0.419 -0.564 1.00 . A A . 6 VAL N 1 1 8 1140 1 1 6 VAL O O 1.992 -2.722 -0.215 1.00 . A A . 6 VAL O 1 1 8 1141 1 1 7 GLY C C 0.408 -3.548 2.120 1.00 . A A . 7 GLY C 1 1 8 1142 1 1 7 GLY CA C 1.237 -2.308 2.395 1.00 . A A . 7 GLY CA 1 1 8 1143 1 1 7 GLY H H 0.768 -0.400 1.533 1.00 . A A . 7 GLY H 1 1 8 1144 1 1 7 GLY HA2 H 2.281 -2.600 2.512 1.00 . A A . 7 GLY HA2 1 1 8 1145 1 1 7 GLY HA3 H 0.892 -1.853 3.323 1.00 . A A . 7 GLY HA3 1 1 8 1146 1 1 7 GLY N N 1.139 -1.328 1.331 1.00 . A A . 7 GLY N 1 1 8 1147 1 1 7 GLY O O 0.656 -4.609 2.693 1.00 . A A . 7 GLY O 1 1 8 1148 1 1 8 HIS C C -1.191 -4.993 -0.542 1.00 . A A . 8 HIS C 1 1 8 1149 1 1 8 HIS CA C -1.448 -4.533 0.890 1.00 . A A . 8 HIS CA 1 1 8 1150 1 1 8 HIS CB C -2.916 -4.138 1.056 1.00 . A A . 8 HIS CB 1 1 8 1151 1 1 8 HIS CD2 C -4.720 -4.473 2.896 1.00 . A A . 8 HIS CD2 1 1 8 1152 1 1 8 HIS CE1 C -3.368 -4.663 4.608 1.00 . A A . 8 HIS CE1 1 1 8 1153 1 1 8 HIS CG C -3.437 -4.358 2.451 1.00 . A A . 8 HIS CG 1 1 8 1154 1 1 8 HIS H H -0.736 -2.509 0.799 1.00 . A A . 8 HIS H 1 1 8 1155 1 1 8 HIS HA H -1.246 -5.381 1.554 1.00 . A A . 8 HIS HA 1 1 8 1156 1 1 8 HIS HB2 H -3.014 -3.081 0.816 1.00 . A A . 8 HIS HB2 1 1 8 1157 1 1 8 HIS HB3 H -3.535 -4.713 0.360 1.00 . A A . 8 HIS HB3 1 1 8 1158 1 1 8 HIS HD1 H -1.579 -4.437 3.538 1.00 . A A . 8 HIS HD1 1 1 8 1159 1 1 8 HIS HD2 H -5.591 -4.634 2.277 1.00 . A A . 8 HIS HD2 1 1 8 1160 1 1 8 HIS HE1 H -2.999 -4.792 5.614 1.00 . A A . 8 HIS HE1 1 1 8 1161 1 1 8 HIS N N -0.579 -3.415 1.240 1.00 . A A . 8 HIS N 1 1 8 1162 1 1 8 HIS ND1 N -2.598 -4.480 3.545 1.00 . A A . 8 HIS ND1 1 1 8 1163 1 1 8 HIS NE2 N -4.659 -4.666 4.263 1.00 . A A . 8 HIS NE2 1 1 8 1164 1 1 8 HIS O O -1.387 -6.163 -0.875 1.00 . A A . 8 HIS O 1 1 8 1165 1 1 9 LEU C C 0.766 -5.262 -2.905 1.00 . A A . 9 LEU C 1 1 8 1166 1 1 9 LEU CA C -0.469 -4.375 -2.784 1.00 . A A . 9 LEU CA 1 1 8 1167 1 1 9 LEU CB C -0.266 -3.085 -3.580 1.00 . A A . 9 LEU CB 1 1 8 1168 1 1 9 LEU CD1 C -1.105 -0.806 -4.202 1.00 . A A . 9 LEU CD1 1 1 8 1169 1 1 9 LEU CD2 C -2.453 -2.834 -4.779 1.00 . A A . 9 LEU CD2 1 1 8 1170 1 1 9 LEU CG C -1.504 -2.208 -3.767 1.00 . A A . 9 LEU CG 1 1 8 1171 1 1 9 LEU H H -0.613 -3.112 -1.050 1.00 . A A . 9 LEU H 1 1 8 1172 1 1 9 LEU HA H -1.319 -4.910 -3.198 1.00 . A A . 9 LEU HA 1 1 8 1173 1 1 9 LEU HB2 H 0.504 -2.518 -3.098 1.00 . A A . 9 LEU HB2 1 1 8 1174 1 1 9 LEU HB3 H 0.096 -3.362 -4.572 1.00 . A A . 9 LEU HB3 1 1 8 1175 1 1 9 LEU HD11 H -0.538 -0.320 -3.412 1.00 . A A . 9 LEU HD11 1 1 8 1176 1 1 9 LEU HD12 H -1.999 -0.220 -4.417 1.00 . A A . 9 LEU HD12 1 1 8 1177 1 1 9 LEU HD13 H -0.490 -0.874 -5.100 1.00 . A A . 9 LEU HD13 1 1 8 1178 1 1 9 LEU HD21 H -1.901 -3.101 -5.679 1.00 . A A . 9 LEU HD21 1 1 8 1179 1 1 9 LEU HD22 H -3.231 -2.114 -5.036 1.00 . A A . 9 LEU HD22 1 1 8 1180 1 1 9 LEU HD23 H -2.918 -3.724 -4.362 1.00 . A A . 9 LEU HD23 1 1 8 1181 1 1 9 LEU HG H -2.014 -2.140 -2.804 1.00 . A A . 9 LEU HG 1 1 8 1182 1 1 9 LEU N N -0.752 -4.065 -1.386 1.00 . A A . 9 LEU N 1 1 8 1183 1 1 9 LEU O O 0.887 -6.046 -3.846 1.00 . A A . 9 LEU O 1 1 8 1184 1 1 10 MET C C 2.584 -7.416 -2.044 1.00 . A A . 10 MET C 1 1 8 1185 1 1 10 MET CA C 2.900 -5.927 -1.946 1.00 . A A . 10 MET CA 1 1 8 1186 1 1 10 MET CB C 3.713 -5.648 -0.680 1.00 . A A . 10 MET CB 1 1 8 1187 1 1 10 MET CE C 1.436 -8.001 1.610 1.00 . A A . 10 MET CE 1 1 8 1188 1 1 10 MET CG C 2.943 -5.903 0.605 1.00 . A A . 10 MET CG 1 1 8 1189 1 1 10 MET H H 1.516 -4.468 -1.191 1.00 . A A . 10 MET H 1 1 8 1190 1 1 10 MET HA H 3.494 -5.643 -2.814 1.00 . A A . 10 MET HA 1 1 8 1191 1 1 10 MET HB2 H 4.591 -6.295 -0.684 1.00 . A A . 10 MET HB2 1 1 8 1192 1 1 10 MET HB3 H 4.045 -4.607 -0.704 1.00 . A A . 10 MET HB3 1 1 8 1193 1 1 10 MET HE1 H 0.839 -8.013 0.698 1.00 . A A . 10 MET HE1 1 1 8 1194 1 1 10 MET HE2 H 1.396 -8.982 2.084 1.00 . A A . 10 MET HE2 1 1 8 1195 1 1 10 MET HE3 H 1.040 -7.250 2.293 1.00 . A A . 10 MET HE3 1 1 8 1196 1 1 10 MET HG2 H 3.290 -5.218 1.382 1.00 . A A . 10 MET HG2 1 1 8 1197 1 1 10 MET HG3 H 1.883 -5.715 0.420 1.00 . A A . 10 MET HG3 1 1 8 1198 1 1 10 MET N N 1.677 -5.134 -1.947 1.00 . A A . 10 MET N 1 1 8 1199 1 1 10 MET O O 1.412 -7.753 -2.038 1.00 . A A . 10 MET O 1 1 8 1200 1 1 10 MET SD S 3.134 -7.592 1.206 1.00 . A A . 10 MET SD 1 1 9 1201 1 1 1 GLY C C 1.387 8.185 -1.023 1.00 . A A . 1 GLY C 1 1 9 1202 1 1 1 GLY CA C 2.461 9.085 -1.603 1.00 . A A . 1 GLY CA 1 1 9 1203 1 1 1 GLY H1 H 2.734 10.933 -0.762 1.00 . A A . 1 GLY H1 1 1 9 1204 1 1 1 GLY H2 H 1.130 10.589 -1.205 1.00 . A A . 1 GLY H2 1 1 9 1205 1 1 1 GLY H3 H 2.282 10.967 -2.395 1.00 . A A . 1 GLY H3 1 1 9 1206 1 1 1 GLY HA2 H 2.592 8.843 -2.658 1.00 . A A . 1 GLY HA2 1 1 9 1207 1 1 1 GLY HA3 H 3.398 8.898 -1.079 1.00 . A A . 1 GLY HA3 1 1 9 1208 1 1 1 GLY N N 2.128 10.493 -1.483 1.00 . A A . 1 GLY N 1 1 9 1209 1 1 1 GLY O O 0.645 8.590 -0.130 1.00 . A A . 1 GLY O 1 1 9 1210 1 1 2 ASN C C 0.985 4.779 -0.452 1.00 . A A . 2 ASN C 1 1 9 1211 1 1 2 ASN CA C 0.311 6.002 -1.064 1.00 . A A . 2 ASN CA 1 1 9 1212 1 1 2 ASN CB C -0.601 5.573 -2.216 1.00 . A A . 2 ASN CB 1 1 9 1213 1 1 2 ASN CG C 0.170 5.305 -3.494 1.00 . A A . 2 ASN CG 1 1 9 1214 1 1 2 ASN H H 1.950 6.687 -2.275 1.00 . A A . 2 ASN H 1 1 9 1215 1 1 2 ASN HA H -0.308 6.461 -0.289 1.00 . A A . 2 ASN HA 1 1 9 1216 1 1 2 ASN HB2 H -1.151 4.675 -1.933 1.00 . A A . 2 ASN HB2 1 1 9 1217 1 1 2 ASN HB3 H -1.315 6.375 -2.410 1.00 . A A . 2 ASN HB3 1 1 9 1218 1 1 2 ASN HD21 H 0.352 3.325 -3.014 1.00 . A A . 2 ASN HD21 1 1 9 1219 1 1 2 ASN HD22 H 1.100 3.828 -4.534 1.00 . A A . 2 ASN HD22 1 1 9 1220 1 1 2 ASN N N 1.304 6.962 -1.535 1.00 . A A . 2 ASN N 1 1 9 1221 1 1 2 ASN ND2 N 0.570 4.055 -3.692 1.00 . A A . 2 ASN ND2 1 1 9 1222 1 1 2 ASN O O 0.577 3.643 -0.698 1.00 . A A . 2 ASN O 1 1 9 1223 1 1 2 ASN OD1 O 0.403 6.212 -4.293 1.00 . A A . 2 ASN OD1 1 1 9 1224 1 1 3 HIS C C 1.802 3.036 1.785 1.00 . A A . 3 HIS C 1 1 9 1225 1 1 3 HIS CA C 2.750 3.935 0.998 1.00 . A A . 3 HIS CA 1 1 9 1226 1 1 3 HIS CB C 3.824 4.502 1.927 1.00 . A A . 3 HIS CB 1 1 9 1227 1 1 3 HIS CD2 C 5.637 2.642 1.931 1.00 . A A . 3 HIS CD2 1 1 9 1228 1 1 3 HIS CE1 C 5.610 2.201 4.074 1.00 . A A . 3 HIS CE1 1 1 9 1229 1 1 3 HIS CG C 4.719 3.453 2.528 1.00 . A A . 3 HIS CG 1 1 9 1230 1 1 3 HIS H H 2.307 5.983 0.515 1.00 . A A . 3 HIS H 1 1 9 1231 1 1 3 HIS HA H 3.244 3.337 0.233 1.00 . A A . 3 HIS HA 1 1 9 1232 1 1 3 HIS HB2 H 4.438 5.203 1.364 1.00 . A A . 3 HIS HB2 1 1 9 1233 1 1 3 HIS HB3 H 3.328 5.042 2.736 1.00 . A A . 3 HIS HB3 1 1 9 1234 1 1 3 HIS HD1 H 4.136 3.599 4.597 1.00 . A A . 3 HIS HD1 1 1 9 1235 1 1 3 HIS HD2 H 6.031 2.764 0.933 1.00 . A A . 3 HIS HD2 1 1 9 1236 1 1 3 HIS HE1 H 5.836 1.762 5.034 1.00 . A A . 3 HIS HE1 1 1 9 1237 1 1 3 HIS N N 2.020 5.019 0.348 1.00 . A A . 3 HIS N 1 1 9 1238 1 1 3 HIS ND1 N 4.715 3.160 3.882 1.00 . A A . 3 HIS ND1 1 1 9 1239 1 1 3 HIS NE2 N 6.192 1.856 2.925 1.00 . A A . 3 HIS NE2 1 1 9 1240 1 1 3 HIS O O 2.062 1.844 1.956 1.00 . A A . 3 HIS O 1 1 9 1241 1 1 4 TRP C C -0.919 1.770 2.176 1.00 . A A . 4 TRP C 1 1 9 1242 1 1 4 TRP CA C -0.282 2.862 3.028 1.00 . A A . 4 TRP CA 1 1 9 1243 1 1 4 TRP CB C -1.362 3.802 3.567 1.00 . A A . 4 TRP CB 1 1 9 1244 1 1 4 TRP CD1 C -1.842 3.755 6.083 1.00 . A A . 4 TRP CD1 1 1 9 1245 1 1 4 TRP CD2 C -2.974 2.227 4.902 1.00 . A A . 4 TRP CD2 1 1 9 1246 1 1 4 TRP CE2 C -3.325 2.095 6.260 1.00 . A A . 4 TRP CE2 1 1 9 1247 1 1 4 TRP CE3 C -3.563 1.369 3.969 1.00 . A A . 4 TRP CE3 1 1 9 1248 1 1 4 TRP CG C -2.024 3.293 4.811 1.00 . A A . 4 TRP CG 1 1 9 1249 1 1 4 TRP CH2 C -4.798 0.315 5.768 1.00 . A A . 4 TRP CH2 1 1 9 1250 1 1 4 TRP CZ2 C -4.238 1.142 6.704 1.00 . A A . 4 TRP CZ2 1 1 9 1251 1 1 4 TRP CZ3 C -4.468 0.423 4.411 1.00 . A A . 4 TRP CZ3 1 1 9 1252 1 1 4 TRP H H 0.546 4.604 2.083 1.00 . A A . 4 TRP H 1 1 9 1253 1 1 4 TRP HA H 0.227 2.394 3.872 1.00 . A A . 4 TRP HA 1 1 9 1254 1 1 4 TRP HB2 H -0.896 4.759 3.799 1.00 . A A . 4 TRP HB2 1 1 9 1255 1 1 4 TRP HB3 H -2.121 3.961 2.797 1.00 . A A . 4 TRP HB3 1 1 9 1256 1 1 4 TRP HD1 H -1.182 4.564 6.360 1.00 . A A . 4 TRP HD1 1 1 9 1257 1 1 4 TRP HE1 H -2.675 3.176 7.969 1.00 . A A . 4 TRP HE1 1 1 9 1258 1 1 4 TRP HE3 H -3.327 1.449 2.923 1.00 . A A . 4 TRP HE3 1 1 9 1259 1 1 4 TRP HH2 H -5.509 -0.434 6.086 1.00 . A A . 4 TRP HH2 1 1 9 1260 1 1 4 TRP HZ2 H -4.494 1.055 7.749 1.00 . A A . 4 TRP HZ2 1 1 9 1261 1 1 4 TRP HZ3 H -4.926 -0.243 3.694 1.00 . A A . 4 TRP HZ3 1 1 9 1262 1 1 4 TRP N N 0.704 3.613 2.260 1.00 . A A . 4 TRP N 1 1 9 1263 1 1 4 TRP NE1 N -2.621 3.039 6.960 1.00 . A A . 4 TRP NE1 1 1 9 1264 1 1 4 TRP O O -1.061 0.630 2.618 1.00 . A A . 4 TRP O 1 1 9 1265 1 1 5 ALA C C -0.948 0.065 -0.341 1.00 . A A . 5 ALA C 1 1 9 1266 1 1 5 ALA CA C -1.923 1.174 0.041 1.00 . A A . 5 ALA CA 1 1 9 1267 1 1 5 ALA CB C -2.426 1.889 -1.204 1.00 . A A . 5 ALA CB 1 1 9 1268 1 1 5 ALA H H -1.160 3.089 0.648 1.00 . A A . 5 ALA H 1 1 9 1269 1 1 5 ALA HA H -2.777 0.723 0.546 1.00 . A A . 5 ALA HA 1 1 9 1270 1 1 5 ALA HB1 H -3.009 1.199 -1.813 1.00 . A A . 5 ALA HB1 1 1 9 1271 1 1 5 ALA HB2 H -1.574 2.251 -1.780 1.00 . A A . 5 ALA HB2 1 1 9 1272 1 1 5 ALA HB3 H -3.052 2.732 -0.913 1.00 . A A . 5 ALA HB3 1 1 9 1273 1 1 5 ALA N N -1.302 2.126 0.954 1.00 . A A . 5 ALA N 1 1 9 1274 1 1 5 ALA O O -1.347 -1.081 -0.550 1.00 . A A . 5 ALA O 1 1 9 1275 1 1 6 VAL C C 1.400 -1.709 0.203 1.00 . A A . 6 VAL C 1 1 9 1276 1 1 6 VAL CA C 1.364 -0.554 -0.791 1.00 . A A . 6 VAL CA 1 1 9 1277 1 1 6 VAL CB C 2.753 0.106 -0.849 1.00 . A A . 6 VAL CB 1 1 9 1278 1 1 6 VAL CG1 C 3.819 -0.924 -1.196 1.00 . A A . 6 VAL CG1 1 1 9 1279 1 1 6 VAL CG2 C 2.760 1.250 -1.852 1.00 . A A . 6 VAL CG2 1 1 9 1280 1 1 6 VAL H H 0.598 1.379 -0.248 1.00 . A A . 6 VAL H 1 1 9 1281 1 1 6 VAL HA H 1.135 -0.952 -1.774 1.00 . A A . 6 VAL HA 1 1 9 1282 1 1 6 VAL HB H 2.979 0.511 0.139 1.00 . A A . 6 VAL HB 1 1 9 1283 1 1 6 VAL HG11 H 4.755 -0.417 -1.433 1.00 . A A . 6 VAL HG11 1 1 9 1284 1 1 6 VAL HG12 H 3.489 -1.499 -2.062 1.00 . A A . 6 VAL HG12 1 1 9 1285 1 1 6 VAL HG13 H 3.976 -1.596 -0.352 1.00 . A A . 6 VAL HG13 1 1 9 1286 1 1 6 VAL HG21 H 1.910 1.907 -1.666 1.00 . A A . 6 VAL HG21 1 1 9 1287 1 1 6 VAL HG22 H 2.688 0.839 -2.859 1.00 . A A . 6 VAL HG22 1 1 9 1288 1 1 6 VAL HG23 H 3.685 1.817 -1.757 1.00 . A A . 6 VAL HG23 1 1 9 1289 1 1 6 VAL N N 0.331 0.413 -0.433 1.00 . A A . 6 VAL N 1 1 9 1290 1 1 6 VAL O O 1.822 -2.815 -0.131 1.00 . A A . 6 VAL O 1 1 9 1291 1 1 7 GLY C C 0.235 -3.730 2.006 1.00 . A A . 7 GLY C 1 1 9 1292 1 1 7 GLY CA C 0.951 -2.470 2.454 1.00 . A A . 7 GLY CA 1 1 9 1293 1 1 7 GLY H H 0.621 -0.507 1.651 1.00 . A A . 7 GLY H 1 1 9 1294 1 1 7 GLY HA2 H 1.981 -2.721 2.708 1.00 . A A . 7 GLY HA2 1 1 9 1295 1 1 7 GLY HA3 H 0.454 -2.079 3.342 1.00 . A A . 7 GLY HA3 1 1 9 1296 1 1 7 GLY N N 0.958 -1.444 1.429 1.00 . A A . 7 GLY N 1 1 9 1297 1 1 7 GLY O O 0.589 -4.834 2.421 1.00 . A A . 7 GLY O 1 1 9 1298 1 1 8 HIS C C -0.852 -5.332 -0.548 1.00 . A A . 8 HIS C 1 1 9 1299 1 1 8 HIS CA C -1.543 -4.698 0.656 1.00 . A A . 8 HIS CA 1 1 9 1300 1 1 8 HIS CB C -2.957 -4.256 0.272 1.00 . A A . 8 HIS CB 1 1 9 1301 1 1 8 HIS CD2 C -5.139 -4.531 1.652 1.00 . A A . 8 HIS CD2 1 1 9 1302 1 1 8 HIS CE1 C -4.514 -3.411 3.426 1.00 . A A . 8 HIS CE1 1 1 9 1303 1 1 8 HIS CG C -3.868 -4.080 1.454 1.00 . A A . 8 HIS CG 1 1 9 1304 1 1 8 HIS H H -1.023 -2.625 0.855 1.00 . A A . 8 HIS H 1 1 9 1305 1 1 8 HIS HA H -1.626 -5.450 1.443 1.00 . A A . 8 HIS HA 1 1 9 1306 1 1 8 HIS HB2 H -2.889 -3.304 -0.251 1.00 . A A . 8 HIS HB2 1 1 9 1307 1 1 8 HIS HB3 H -3.397 -4.996 -0.402 1.00 . A A . 8 HIS HB3 1 1 9 1308 1 1 8 HIS HD1 H -2.596 -2.912 2.742 1.00 . A A . 8 HIS HD1 1 1 9 1309 1 1 8 HIS HD2 H -5.641 -5.280 1.058 1.00 . A A . 8 HIS HD2 1 1 9 1310 1 1 8 HIS HE1 H -4.520 -2.946 4.401 1.00 . A A . 8 HIS HE1 1 1 9 1311 1 1 8 HIS N N -0.775 -3.566 1.159 1.00 . A A . 8 HIS N 1 1 9 1312 1 1 8 HIS ND1 N -3.491 -3.375 2.585 1.00 . A A . 8 HIS ND1 1 1 9 1313 1 1 8 HIS NE2 N -5.533 -4.099 2.905 1.00 . A A . 8 HIS NE2 1 1 9 1314 1 1 8 HIS O O -0.921 -6.546 -0.750 1.00 . A A . 8 HIS O 1 1 9 1315 1 1 9 LEU C C 1.659 -5.919 -2.144 1.00 . A A . 9 LEU C 1 1 9 1316 1 1 9 LEU CA C 0.518 -4.983 -2.530 1.00 . A A . 9 LEU CA 1 1 9 1317 1 1 9 LEU CB C 1.063 -3.803 -3.336 1.00 . A A . 9 LEU CB 1 1 9 1318 1 1 9 LEU CD1 C 0.676 -1.554 -4.375 1.00 . A A . 9 LEU CD1 1 1 9 1319 1 1 9 LEU CD2 C -0.728 -3.506 -5.064 1.00 . A A . 9 LEU CD2 1 1 9 1320 1 1 9 LEU CG C 0.019 -2.846 -3.915 1.00 . A A . 9 LEU CG 1 1 9 1321 1 1 9 LEU H H -0.169 -3.509 -1.125 1.00 . A A . 9 LEU H 1 1 9 1322 1 1 9 LEU HA H -0.184 -5.531 -3.155 1.00 . A A . 9 LEU HA 1 1 9 1323 1 1 9 LEU HB2 H 1.717 -3.244 -2.671 1.00 . A A . 9 LEU HB2 1 1 9 1324 1 1 9 LEU HB3 H 1.663 -4.198 -4.157 1.00 . A A . 9 LEU HB3 1 1 9 1325 1 1 9 LEU HD11 H 0.741 -1.541 -5.466 1.00 . A A . 9 LEU HD11 1 1 9 1326 1 1 9 LEU HD12 H 1.684 -1.446 -3.972 1.00 . A A . 9 LEU HD12 1 1 9 1327 1 1 9 LEU HD13 H 0.076 -0.701 -4.053 1.00 . A A . 9 LEU HD13 1 1 9 1328 1 1 9 LEU HD21 H -0.015 -3.984 -5.734 1.00 . A A . 9 LEU HD21 1 1 9 1329 1 1 9 LEU HD22 H -1.288 -2.748 -5.614 1.00 . A A . 9 LEU HD22 1 1 9 1330 1 1 9 LEU HD23 H -1.422 -4.252 -4.679 1.00 . A A . 9 LEU HD23 1 1 9 1331 1 1 9 LEU HG H -0.697 -2.618 -3.120 1.00 . A A . 9 LEU HG 1 1 9 1332 1 1 9 LEU N N -0.186 -4.504 -1.345 1.00 . A A . 9 LEU N 1 1 9 1333 1 1 9 LEU O O 1.768 -7.028 -2.667 1.00 . A A . 9 LEU O 1 1 9 1334 1 1 10 MET C C 3.160 -7.595 -0.186 1.00 . A A . 10 MET C 1 1 9 1335 1 1 10 MET CA C 3.634 -6.266 -0.765 1.00 . A A . 10 MET CA 1 1 9 1336 1 1 10 MET CB C 4.438 -5.496 0.285 1.00 . A A . 10 MET CB 1 1 9 1337 1 1 10 MET CE C 8.232 -4.211 -0.708 1.00 . A A . 10 MET CE 1 1 9 1338 1 1 10 MET CG C 5.519 -4.608 -0.309 1.00 . A A . 10 MET CG 1 1 9 1339 1 1 10 MET H H 2.357 -4.539 -0.825 1.00 . A A . 10 MET H 1 1 9 1340 1 1 10 MET HA H 4.281 -6.473 -1.618 1.00 . A A . 10 MET HA 1 1 9 1341 1 1 10 MET HB2 H 3.748 -4.879 0.861 1.00 . A A . 10 MET HB2 1 1 9 1342 1 1 10 MET HB3 H 4.924 -6.204 0.964 1.00 . A A . 10 MET HB3 1 1 9 1343 1 1 10 MET HE1 H 7.737 -3.259 -0.901 1.00 . A A . 10 MET HE1 1 1 9 1344 1 1 10 MET HE2 H 8.985 -4.391 -1.476 1.00 . A A . 10 MET HE2 1 1 9 1345 1 1 10 MET HE3 H 8.711 -4.179 0.271 1.00 . A A . 10 MET HE3 1 1 9 1346 1 1 10 MET HG2 H 5.126 -4.146 -1.214 1.00 . A A . 10 MET HG2 1 1 9 1347 1 1 10 MET HG3 H 5.781 -3.824 0.405 1.00 . A A . 10 MET HG3 1 1 9 1348 1 1 10 MET N N 2.503 -5.467 -1.223 1.00 . A A . 10 MET N 1 1 9 1349 1 1 10 MET O O 2.599 -7.577 0.897 1.00 . A A . 10 MET O 1 1 9 1350 1 1 10 MET SD S 7.012 -5.523 -0.738 1.00 . A A . 10 MET SD 1 1 10 1351 1 1 1 GLY C C 1.551 8.723 -0.457 1.00 . A A . 1 GLY C 1 1 10 1352 1 1 1 GLY CA C 2.320 10.014 -0.656 1.00 . A A . 1 GLY CA 1 1 10 1353 1 1 1 GLY H1 H 1.115 10.252 -2.292 1.00 . A A . 1 GLY H1 1 1 10 1354 1 1 1 GLY H2 H 2.757 10.584 -2.575 1.00 . A A . 1 GLY H2 1 1 10 1355 1 1 1 GLY H3 H 1.797 11.690 -1.712 1.00 . A A . 1 GLY H3 1 1 10 1356 1 1 1 GLY HA2 H 3.387 9.790 -0.664 1.00 . A A . 1 GLY HA2 1 1 10 1357 1 1 1 GLY HA3 H 2.105 10.684 0.177 1.00 . A A . 1 GLY HA3 1 1 10 1358 1 1 1 GLY N N 1.973 10.682 -1.896 1.00 . A A . 1 GLY N 1 1 10 1359 1 1 1 GLY O O 0.842 8.563 0.537 1.00 . A A . 1 GLY O 1 1 10 1360 1 1 2 ASN C C 1.919 5.439 -0.768 1.00 . A A . 2 ASN C 1 1 10 1361 1 1 2 ASN CA C 0.999 6.519 -1.329 1.00 . A A . 2 ASN CA 1 1 10 1362 1 1 2 ASN CB C 0.493 6.107 -2.712 1.00 . A A . 2 ASN CB 1 1 10 1363 1 1 2 ASN CG C -0.702 5.177 -2.638 1.00 . A A . 2 ASN CG 1 1 10 1364 1 1 2 ASN H H 2.292 7.994 -2.204 1.00 . A A . 2 ASN H 1 1 10 1365 1 1 2 ASN HA H 0.136 6.617 -0.663 1.00 . A A . 2 ASN HA 1 1 10 1366 1 1 2 ASN HB2 H 0.194 7.007 -3.249 1.00 . A A . 2 ASN HB2 1 1 10 1367 1 1 2 ASN HB3 H 1.299 5.619 -3.265 1.00 . A A . 2 ASN HB3 1 1 10 1368 1 1 2 ASN HD21 H 0.159 3.901 -3.986 1.00 . A A . 2 ASN HD21 1 1 10 1369 1 1 2 ASN HD22 H -1.427 3.425 -3.370 1.00 . A A . 2 ASN HD22 1 1 10 1370 1 1 2 ASN N N 1.689 7.801 -1.404 1.00 . A A . 2 ASN N 1 1 10 1371 1 1 2 ASN ND2 N -0.649 4.084 -3.390 1.00 . A A . 2 ASN ND2 1 1 10 1372 1 1 2 ASN O O 2.790 4.923 -1.470 1.00 . A A . 2 ASN O 1 1 10 1373 1 1 2 ASN OD1 O -1.662 5.438 -1.913 1.00 . A A . 2 ASN OD1 1 1 10 1374 1 1 3 HIS C C 1.647 2.991 1.762 1.00 . A A . 3 HIS C 1 1 10 1375 1 1 3 HIS CA C 2.529 4.079 1.157 1.00 . A A . 3 HIS CA 1 1 10 1376 1 1 3 HIS CB C 3.402 4.707 2.243 1.00 . A A . 3 HIS CB 1 1 10 1377 1 1 3 HIS CD2 C 5.862 4.605 1.417 1.00 . A A . 3 HIS CD2 1 1 10 1378 1 1 3 HIS CE1 C 6.145 6.744 1.054 1.00 . A A . 3 HIS CE1 1 1 10 1379 1 1 3 HIS CG C 4.705 5.254 1.731 1.00 . A A . 3 HIS CG 1 1 10 1380 1 1 3 HIS H H 0.978 5.557 1.030 1.00 . A A . 3 HIS H 1 1 10 1381 1 1 3 HIS HA H 3.189 3.603 0.426 1.00 . A A . 3 HIS HA 1 1 10 1382 1 1 3 HIS HB2 H 2.845 5.527 2.694 1.00 . A A . 3 HIS HB2 1 1 10 1383 1 1 3 HIS HB3 H 3.619 3.964 3.018 1.00 . A A . 3 HIS HB3 1 1 10 1384 1 1 3 HIS HD1 H 4.222 7.351 1.634 1.00 . A A . 3 HIS HD1 1 1 10 1385 1 1 3 HIS HD2 H 5.971 3.539 1.287 1.00 . A A . 3 HIS HD2 1 1 10 1386 1 1 3 HIS HE1 H 6.594 7.688 0.783 1.00 . A A . 3 HIS HE1 1 1 10 1387 1 1 3 HIS N N 1.718 5.098 0.501 1.00 . A A . 3 HIS N 1 1 10 1388 1 1 3 HIS ND1 N 4.903 6.604 1.495 1.00 . A A . 3 HIS ND1 1 1 10 1389 1 1 3 HIS NE2 N 6.762 5.564 0.991 1.00 . A A . 3 HIS NE2 1 1 10 1390 1 1 3 HIS O O 1.933 1.801 1.629 1.00 . A A . 3 HIS O 1 1 10 1391 1 1 4 TRP C C -0.864 1.453 2.039 1.00 . A A . 4 TRP C 1 1 10 1392 1 1 4 TRP CA C -0.347 2.467 3.054 1.00 . A A . 4 TRP CA 1 1 10 1393 1 1 4 TRP CB C -1.520 3.217 3.687 1.00 . A A . 4 TRP CB 1 1 10 1394 1 1 4 TRP CD1 C -2.004 2.744 6.159 1.00 . A A . 4 TRP CD1 1 1 10 1395 1 1 4 TRP CD2 C -3.031 1.352 4.736 1.00 . A A . 4 TRP CD2 1 1 10 1396 1 1 4 TRP CE2 C -3.378 0.986 6.051 1.00 . A A . 4 TRP CE2 1 1 10 1397 1 1 4 TRP CE3 C -3.559 0.617 3.671 1.00 . A A . 4 TRP CE3 1 1 10 1398 1 1 4 TRP CG C -2.152 2.478 4.827 1.00 . A A . 4 TRP CG 1 1 10 1399 1 1 4 TRP CH2 C -4.731 -0.783 5.267 1.00 . A A . 4 TRP CH2 1 1 10 1400 1 1 4 TRP CZ2 C -4.228 -0.081 6.327 1.00 . A A . 4 TRP CZ2 1 1 10 1401 1 1 4 TRP CZ3 C -4.403 -0.443 3.948 1.00 . A A . 4 TRP CZ3 1 1 10 1402 1 1 4 TRP H H 0.397 4.407 2.506 1.00 . A A . 4 TRP H 1 1 10 1403 1 1 4 TRP HA H 0.190 1.931 3.838 1.00 . A A . 4 TRP HA 1 1 10 1404 1 1 4 TRP HB2 H -1.151 4.169 4.065 1.00 . A A . 4 TRP HB2 1 1 10 1405 1 1 4 TRP HB3 H -2.278 3.415 2.924 1.00 . A A . 4 TRP HB3 1 1 10 1406 1 1 4 TRP HD1 H -1.399 3.539 6.568 1.00 . A A . 4 TRP HD1 1 1 10 1407 1 1 4 TRP HE1 H -2.805 1.824 7.919 1.00 . A A . 4 TRP HE1 1 1 10 1408 1 1 4 TRP HE3 H -3.318 0.876 2.653 1.00 . A A . 4 TRP HE3 1 1 10 1409 1 1 4 TRP HH2 H -5.392 -1.616 5.453 1.00 . A A . 4 TRP HH2 1 1 10 1410 1 1 4 TRP HZ2 H -4.483 -0.346 7.342 1.00 . A A . 4 TRP HZ2 1 1 10 1411 1 1 4 TRP HZ3 H -4.815 -1.015 3.129 1.00 . A A . 4 TRP HZ3 1 1 10 1412 1 1 4 TRP N N 0.576 3.407 2.428 1.00 . A A . 4 TRP N 1 1 10 1413 1 1 4 TRP NE1 N -2.739 1.851 6.901 1.00 . A A . 4 TRP NE1 1 1 10 1414 1 1 4 TRP O O -0.927 0.257 2.322 1.00 . A A . 4 TRP O 1 1 10 1415 1 1 5 ALA C C -0.747 -0.033 -0.529 1.00 . A A . 5 ALA C 1 1 10 1416 1 1 5 ALA CA C -1.742 1.074 -0.198 1.00 . A A . 5 ALA CA 1 1 10 1417 1 1 5 ALA CB C -2.059 1.891 -1.442 1.00 . A A . 5 ALA CB 1 1 10 1418 1 1 5 ALA H H -1.158 2.942 0.688 1.00 . A A . 5 ALA H 1 1 10 1419 1 1 5 ALA HA H -2.665 0.613 0.152 1.00 . A A . 5 ALA HA 1 1 10 1420 1 1 5 ALA HB1 H -1.131 2.262 -1.872 1.00 . A A . 5 ALA HB1 1 1 10 1421 1 1 5 ALA HB2 H -2.699 2.732 -1.175 1.00 . A A . 5 ALA HB2 1 1 10 1422 1 1 5 ALA HB3 H -2.570 1.262 -2.172 1.00 . A A . 5 ALA HB3 1 1 10 1423 1 1 5 ALA N N -1.233 1.940 0.859 1.00 . A A . 5 ALA N 1 1 10 1424 1 1 5 ALA O O -1.125 -1.191 -0.701 1.00 . A A . 5 ALA O 1 1 10 1425 1 1 6 VAL C C 1.603 -1.763 0.092 1.00 . A A . 6 VAL C 1 1 10 1426 1 1 6 VAL CA C 1.581 -0.632 -0.926 1.00 . A A . 6 VAL CA 1 1 10 1427 1 1 6 VAL CB C 2.964 0.042 -0.964 1.00 . A A . 6 VAL CB 1 1 10 1428 1 1 6 VAL CG1 C 4.045 -0.977 -1.290 1.00 . A A . 6 VAL CG1 1 1 10 1429 1 1 6 VAL CG2 C 2.975 1.183 -1.970 1.00 . A A . 6 VAL CG2 1 1 10 1430 1 1 6 VAL H H 0.778 1.309 -0.463 1.00 . A A . 6 VAL H 1 1 10 1431 1 1 6 VAL HA H 1.390 -1.042 -1.906 1.00 . A A . 6 VAL HA 1 1 10 1432 1 1 6 VAL HB H 3.171 0.452 0.026 1.00 . A A . 6 VAL HB 1 1 10 1433 1 1 6 VAL HG11 H 3.739 -1.551 -2.164 1.00 . A A . 6 VAL HG11 1 1 10 1434 1 1 6 VAL HG12 H 4.187 -1.651 -0.445 1.00 . A A . 6 VAL HG12 1 1 10 1435 1 1 6 VAL HG13 H 4.982 -0.462 -1.504 1.00 . A A . 6 VAL HG13 1 1 10 1436 1 1 6 VAL HG21 H 2.943 0.767 -2.977 1.00 . A A . 6 VAL HG21 1 1 10 1437 1 1 6 VAL HG22 H 3.884 1.771 -1.849 1.00 . A A . 6 VAL HG22 1 1 10 1438 1 1 6 VAL HG23 H 2.106 1.821 -1.812 1.00 . A A . 6 VAL HG23 1 1 10 1439 1 1 6 VAL N N 0.529 0.332 -0.617 1.00 . A A . 6 VAL N 1 1 10 1440 1 1 6 VAL O O 1.933 -2.903 -0.239 1.00 . A A . 6 VAL O 1 1 10 1441 1 1 7 GLY C C 0.278 -3.579 2.092 1.00 . A A . 7 GLY C 1 1 10 1442 1 1 7 GLY CA C 1.242 -2.446 2.383 1.00 . A A . 7 GLY CA 1 1 10 1443 1 1 7 GLY H H 0.992 -0.483 1.552 1.00 . A A . 7 GLY H 1 1 10 1444 1 1 7 GLY HA2 H 2.247 -2.857 2.490 1.00 . A A . 7 GLY HA2 1 1 10 1445 1 1 7 GLY HA3 H 0.953 -1.971 3.319 1.00 . A A . 7 GLY HA3 1 1 10 1446 1 1 7 GLY N N 1.253 -1.445 1.334 1.00 . A A . 7 GLY N 1 1 10 1447 1 1 7 GLY O O 0.483 -4.709 2.538 1.00 . A A . 7 GLY O 1 1 10 1448 1 1 8 HIS C C -1.496 -4.873 -0.384 1.00 . A A . 8 HIS C 1 1 10 1449 1 1 8 HIS CA C -1.778 -4.281 0.994 1.00 . A A . 8 HIS CA 1 1 10 1450 1 1 8 HIS CB C -3.179 -3.666 1.022 1.00 . A A . 8 HIS CB 1 1 10 1451 1 1 8 HIS CD2 C -4.912 -4.922 2.491 1.00 . A A . 8 HIS CD2 1 1 10 1452 1 1 8 HIS CE1 C -5.713 -6.246 0.942 1.00 . A A . 8 HIS CE1 1 1 10 1453 1 1 8 HIS CG C -4.265 -4.661 1.320 1.00 . A A . 8 HIS CG 1 1 10 1454 1 1 8 HIS H H -0.895 -2.323 1.005 1.00 . A A . 8 HIS H 1 1 10 1455 1 1 8 HIS HA H -1.745 -5.090 1.730 1.00 . A A . 8 HIS HA 1 1 10 1456 1 1 8 HIS HB2 H -3.200 -2.896 1.791 1.00 . A A . 8 HIS HB2 1 1 10 1457 1 1 8 HIS HB3 H -3.386 -3.199 0.057 1.00 . A A . 8 HIS HB3 1 1 10 1458 1 1 8 HIS HD1 H -4.508 -5.552 -0.627 1.00 . A A . 8 HIS HD1 1 1 10 1459 1 1 8 HIS HD2 H -4.602 -4.590 3.471 1.00 . A A . 8 HIS HD2 1 1 10 1460 1 1 8 HIS HE1 H -6.298 -7.001 0.441 1.00 . A A . 8 HIS HE1 1 1 10 1461 1 1 8 HIS N N -0.778 -3.278 1.343 1.00 . A A . 8 HIS N 1 1 10 1462 1 1 8 HIS ND1 N -4.785 -5.507 0.354 1.00 . A A . 8 HIS ND1 1 1 10 1463 1 1 8 HIS NE2 N -5.826 -5.929 2.234 1.00 . A A . 8 HIS NE2 1 1 10 1464 1 1 8 HIS O O -1.828 -6.028 -0.655 1.00 . A A . 8 HIS O 1 1 10 1465 1 1 9 LEU C C 0.637 -5.475 -2.587 1.00 . A A . 9 LEU C 1 1 10 1466 1 1 9 LEU CA C -0.554 -4.521 -2.601 1.00 . A A . 9 LEU CA 1 1 10 1467 1 1 9 LEU CB C -0.248 -3.319 -3.495 1.00 . A A . 9 LEU CB 1 1 10 1468 1 1 9 LEU CD1 C -0.916 -0.986 -4.124 1.00 . A A . 9 LEU CD1 1 1 10 1469 1 1 9 LEU CD2 C -2.284 -2.927 -4.905 1.00 . A A . 9 LEU CD2 1 1 10 1470 1 1 9 LEU CG C -1.421 -2.378 -3.779 1.00 . A A . 9 LEU CG 1 1 10 1471 1 1 9 LEU H H -0.632 -3.128 -0.967 1.00 . A A . 9 LEU H 1 1 10 1472 1 1 9 LEU HA H -1.415 -5.045 -3.014 1.00 . A A . 9 LEU HA 1 1 10 1473 1 1 9 LEU HB2 H 0.548 -2.762 -3.024 1.00 . A A . 9 LEU HB2 1 1 10 1474 1 1 9 LEU HB3 H 0.125 -3.697 -4.450 1.00 . A A . 9 LEU HB3 1 1 10 1475 1 1 9 LEU HD11 H -0.494 -0.514 -3.239 1.00 . A A . 9 LEU HD11 1 1 10 1476 1 1 9 LEU HD12 H -1.744 -0.383 -4.497 1.00 . A A . 9 LEU HD12 1 1 10 1477 1 1 9 LEU HD13 H -0.149 -1.066 -4.894 1.00 . A A . 9 LEU HD13 1 1 10 1478 1 1 9 LEU HD21 H -3.104 -2.236 -5.100 1.00 . A A . 9 LEU HD21 1 1 10 1479 1 1 9 LEU HD22 H -2.688 -3.899 -4.628 1.00 . A A . 9 LEU HD22 1 1 10 1480 1 1 9 LEU HD23 H -1.676 -3.027 -5.804 1.00 . A A . 9 LEU HD23 1 1 10 1481 1 1 9 LEU HG H -2.025 -2.313 -2.873 1.00 . A A . 9 LEU HG 1 1 10 1482 1 1 9 LEU N N -0.881 -4.076 -1.251 1.00 . A A . 9 LEU N 1 1 10 1483 1 1 9 LEU O O 0.513 -6.643 -2.953 1.00 . A A . 9 LEU O 1 1 10 1484 1 1 10 MET C C 2.755 -7.063 -1.313 1.00 . A A . 10 MET C 1 1 10 1485 1 1 10 MET CA C 3.001 -5.776 -2.095 1.00 . A A . 10 MET CA 1 1 10 1486 1 1 10 MET CB C 4.136 -4.980 -1.447 1.00 . A A . 10 MET CB 1 1 10 1487 1 1 10 MET CE C 7.502 -5.435 -3.875 1.00 . A A . 10 MET CE 1 1 10 1488 1 1 10 MET CG C 5.517 -5.378 -1.942 1.00 . A A . 10 MET CG 1 1 10 1489 1 1 10 MET H H 1.826 -3.990 -1.871 1.00 . A A . 10 MET H 1 1 10 1490 1 1 10 MET HA H 3.295 -6.038 -3.112 1.00 . A A . 10 MET HA 1 1 10 1491 1 1 10 MET HB2 H 3.989 -3.926 -1.686 1.00 . A A . 10 MET HB2 1 1 10 1492 1 1 10 MET HB3 H 4.092 -5.099 -0.361 1.00 . A A . 10 MET HB3 1 1 10 1493 1 1 10 MET HE1 H 7.731 -5.431 -4.941 1.00 . A A . 10 MET HE1 1 1 10 1494 1 1 10 MET HE2 H 7.544 -6.456 -3.498 1.00 . A A . 10 MET HE2 1 1 10 1495 1 1 10 MET HE3 H 8.229 -4.821 -3.345 1.00 . A A . 10 MET HE3 1 1 10 1496 1 1 10 MET HG2 H 6.273 -4.984 -1.264 1.00 . A A . 10 MET HG2 1 1 10 1497 1 1 10 MET HG3 H 5.576 -6.467 -1.947 1.00 . A A . 10 MET HG3 1 1 10 1498 1 1 10 MET N N 1.788 -4.967 -2.160 1.00 . A A . 10 MET N 1 1 10 1499 1 1 10 MET O O 1.957 -7.023 -0.392 1.00 . A A . 10 MET O 1 1 10 1500 1 1 10 MET SD S 5.859 -4.773 -3.606 1.00 . A A . 10 MET SD 1 1 11 1501 1 1 1 GLY C C 1.526 8.546 -0.005 1.00 . A A . 1 GLY C 1 1 11 1502 1 1 1 GLY CA C 2.275 9.863 -0.047 1.00 . A A . 1 GLY CA 1 1 11 1503 1 1 1 GLY H1 H 1.751 11.844 -0.053 1.00 . A A . 1 GLY H1 1 1 11 1504 1 1 1 GLY H2 H 1.635 11.087 1.464 1.00 . A A . 1 GLY H2 1 1 11 1505 1 1 1 GLY H3 H 0.472 10.778 0.265 1.00 . A A . 1 GLY H3 1 1 11 1506 1 1 1 GLY HA2 H 2.569 10.067 -1.076 1.00 . A A . 1 GLY HA2 1 1 11 1507 1 1 1 GLY HA3 H 3.173 9.779 0.566 1.00 . A A . 1 GLY HA3 1 1 11 1508 1 1 1 GLY N N 1.478 10.972 0.442 1.00 . A A . 1 GLY N 1 1 11 1509 1 1 1 GLY O O 0.977 8.170 1.030 1.00 . A A . 1 GLY O 1 1 11 1510 1 1 2 ASN C C 1.729 5.420 -0.790 1.00 . A A . 2 ASN C 1 1 11 1511 1 1 2 ASN CA C 0.813 6.562 -1.220 1.00 . A A . 2 ASN CA 1 1 11 1512 1 1 2 ASN CB C 0.317 6.322 -2.648 1.00 . A A . 2 ASN CB 1 1 11 1513 1 1 2 ASN CG C -0.889 5.405 -2.695 1.00 . A A . 2 ASN CG 1 1 11 1514 1 1 2 ASN H H 1.978 8.210 -1.959 1.00 . A A . 2 ASN H 1 1 11 1515 1 1 2 ASN HA H -0.051 6.582 -0.552 1.00 . A A . 2 ASN HA 1 1 11 1516 1 1 2 ASN HB2 H 0.030 7.283 -3.073 1.00 . A A . 2 ASN HB2 1 1 11 1517 1 1 2 ASN HB3 H 1.120 5.900 -3.255 1.00 . A A . 2 ASN HB3 1 1 11 1518 1 1 2 ASN HD21 H -0.315 4.683 -4.522 1.00 . A A . 2 ASN HD21 1 1 11 1519 1 1 2 ASN HD22 H -1.799 3.998 -3.849 1.00 . A A . 2 ASN HD22 1 1 11 1520 1 1 2 ASN N N 1.503 7.844 -1.133 1.00 . A A . 2 ASN N 1 1 11 1521 1 1 2 ASN ND2 N -1.007 4.637 -3.773 1.00 . A A . 2 ASN ND2 1 1 11 1522 1 1 2 ASN O O 2.353 4.763 -1.623 1.00 . A A . 2 ASN O 1 1 11 1523 1 1 2 ASN OD1 O -1.705 5.386 -1.774 1.00 . A A . 2 ASN OD1 1 1 11 1524 1 1 3 HIS C C 1.795 3.062 1.746 1.00 . A A . 3 HIS C 1 1 11 1525 1 1 3 HIS CA C 2.644 4.127 1.059 1.00 . A A . 3 HIS CA 1 1 11 1526 1 1 3 HIS CB C 3.660 4.702 2.045 1.00 . A A . 3 HIS CB 1 1 11 1527 1 1 3 HIS CD2 C 5.132 2.570 2.222 1.00 . A A . 3 HIS CD2 1 1 11 1528 1 1 3 HIS CE1 C 5.492 2.633 4.379 1.00 . A A . 3 HIS CE1 1 1 11 1529 1 1 3 HIS CG C 4.493 3.658 2.736 1.00 . A A . 3 HIS CG 1 1 11 1530 1 1 3 HIS H H 1.261 5.769 1.157 1.00 . A A . 3 HIS H 1 1 11 1531 1 1 3 HIS HA H 3.202 3.645 0.252 1.00 . A A . 3 HIS HA 1 1 11 1532 1 1 3 HIS HB2 H 4.324 5.377 1.508 1.00 . A A . 3 HIS HB2 1 1 11 1533 1 1 3 HIS HB3 H 3.117 5.270 2.802 1.00 . A A . 3 HIS HB3 1 1 11 1534 1 1 3 HIS HD1 H 4.391 4.375 4.765 1.00 . A A . 3 HIS HD1 1 1 11 1535 1 1 3 HIS HD2 H 5.322 2.385 1.175 1.00 . A A . 3 HIS HD2 1 1 11 1536 1 1 3 HIS HE1 H 5.845 2.383 5.369 1.00 . A A . 3 HIS HE1 1 1 11 1537 1 1 3 HIS N N 1.805 5.190 0.517 1.00 . A A . 3 HIS N 1 1 11 1538 1 1 3 HIS ND1 N 4.732 3.681 4.100 1.00 . A A . 3 HIS ND1 1 1 11 1539 1 1 3 HIS NE2 N 5.760 1.932 3.277 1.00 . A A . 3 HIS NE2 1 1 11 1540 1 1 3 HIS O O 2.149 1.883 1.754 1.00 . A A . 3 HIS O 1 1 11 1541 1 1 4 TRP C C -0.828 1.562 2.037 1.00 . A A . 4 TRP C 1 1 11 1542 1 1 4 TRP CA C -0.223 2.566 3.011 1.00 . A A . 4 TRP CA 1 1 11 1543 1 1 4 TRP CB C -1.336 3.343 3.717 1.00 . A A . 4 TRP CB 1 1 11 1544 1 1 4 TRP CD1 C -1.641 2.908 6.224 1.00 . A A . 4 TRP CD1 1 1 11 1545 1 1 4 TRP CD2 C -2.795 1.517 4.900 1.00 . A A . 4 TRP CD2 1 1 11 1546 1 1 4 TRP CE2 C -3.048 1.173 6.243 1.00 . A A . 4 TRP CE2 1 1 11 1547 1 1 4 TRP CE3 C -3.414 0.779 3.889 1.00 . A A . 4 TRP CE3 1 1 11 1548 1 1 4 TRP CG C -1.892 2.629 4.911 1.00 . A A . 4 TRP CG 1 1 11 1549 1 1 4 TRP CH2 C -4.484 -0.581 5.584 1.00 . A A . 4 TRP CH2 1 1 11 1550 1 1 4 TRP CZ2 C -3.892 0.124 6.596 1.00 . A A . 4 TRP CZ2 1 1 11 1551 1 1 4 TRP CZ3 C -4.251 -0.262 4.241 1.00 . A A . 4 TRP CZ3 1 1 11 1552 1 1 4 TRP H H 0.437 4.475 2.278 1.00 . A A . 4 TRP H 1 1 11 1553 1 1 4 TRP HA H 0.353 2.021 3.760 1.00 . A A . 4 TRP HA 1 1 11 1554 1 1 4 TRP HB2 H -0.926 4.294 4.053 1.00 . A A . 4 TRP HB2 1 1 11 1555 1 1 4 TRP HB3 H -2.146 3.543 3.010 1.00 . A A . 4 TRP HB3 1 1 11 1556 1 1 4 TRP HD1 H -0.994 3.697 6.576 1.00 . A A . 4 TRP HD1 1 1 11 1557 1 1 4 TRP HE1 H -2.322 2.022 8.052 1.00 . A A . 4 TRP HE1 1 1 11 1558 1 1 4 TRP HE3 H -3.244 1.022 2.852 1.00 . A A . 4 TRP HE3 1 1 11 1559 1 1 4 TRP HH2 H -5.143 -1.400 5.830 1.00 . A A . 4 TRP HH2 1 1 11 1560 1 1 4 TRP HZ2 H -4.072 -0.126 7.631 1.00 . A A . 4 TRP HZ2 1 1 11 1561 1 1 4 TRP HZ3 H -4.732 -0.836 3.463 1.00 . A A . 4 TRP HZ3 1 1 11 1562 1 1 4 TRP N N 0.675 3.484 2.320 1.00 . A A . 4 TRP N 1 1 11 1563 1 1 4 TRP NE1 N -2.332 2.036 7.031 1.00 . A A . 4 TRP NE1 1 1 11 1564 1 1 4 TRP O O -0.898 0.367 2.327 1.00 . A A . 4 TRP O 1 1 11 1565 1 1 5 ALA C C -0.887 0.104 -0.575 1.00 . A A . 5 ALA C 1 1 11 1566 1 1 5 ALA CA C -1.859 1.195 -0.137 1.00 . A A . 5 ALA CA 1 1 11 1567 1 1 5 ALA CB C -2.299 2.024 -1.334 1.00 . A A . 5 ALA CB 1 1 11 1568 1 1 5 ALA H H -1.177 3.051 0.700 1.00 . A A . 5 ALA H 1 1 11 1569 1 1 5 ALA HA H -2.739 0.717 0.291 1.00 . A A . 5 ALA HA 1 1 11 1570 1 1 5 ALA HB1 H -2.951 1.427 -1.972 1.00 . A A . 5 ALA HB1 1 1 11 1571 1 1 5 ALA HB2 H -1.420 2.334 -1.900 1.00 . A A . 5 ALA HB2 1 1 11 1572 1 1 5 ALA HB3 H -2.839 2.906 -0.988 1.00 . A A . 5 ALA HB3 1 1 11 1573 1 1 5 ALA N N -1.262 2.051 0.881 1.00 . A A . 5 ALA N 1 1 11 1574 1 1 5 ALA O O -1.298 -0.959 -1.037 1.00 . A A . 5 ALA O 1 1 11 1575 1 1 6 VAL C C 1.504 -1.737 0.181 1.00 . A A . 6 VAL C 1 1 11 1576 1 1 6 VAL CA C 1.439 -0.582 -0.809 1.00 . A A . 6 VAL CA 1 1 11 1577 1 1 6 VAL CB C 2.820 0.089 -0.895 1.00 . A A . 6 VAL CB 1 1 11 1578 1 1 6 VAL CG1 C 3.887 -0.932 -1.263 1.00 . A A . 6 VAL CG1 1 1 11 1579 1 1 6 VAL CG2 C 2.799 1.234 -1.896 1.00 . A A . 6 VAL CG2 1 1 11 1580 1 1 6 VAL H H 0.685 1.278 -0.038 1.00 . A A . 6 VAL H 1 1 11 1581 1 1 6 VAL HA H 1.196 -0.980 -1.793 1.00 . A A . 6 VAL HA 1 1 11 1582 1 1 6 VAL HB H 3.064 0.491 0.086 1.00 . A A . 6 VAL HB 1 1 11 1583 1 1 6 VAL HG11 H 4.066 -1.603 -0.423 1.00 . A A . 6 VAL HG11 1 1 11 1584 1 1 6 VAL HG12 H 4.813 -0.417 -1.519 1.00 . A A . 6 VAL HG12 1 1 11 1585 1 1 6 VAL HG13 H 3.544 -1.510 -2.122 1.00 . A A . 6 VAL HG13 1 1 11 1586 1 1 6 VAL HG21 H 1.957 1.893 -1.682 1.00 . A A . 6 VAL HG21 1 1 11 1587 1 1 6 VAL HG22 H 2.693 0.825 -2.901 1.00 . A A . 6 VAL HG22 1 1 11 1588 1 1 6 VAL HG23 H 3.728 1.799 -1.830 1.00 . A A . 6 VAL HG23 1 1 11 1589 1 1 6 VAL N N 0.406 0.378 -0.428 1.00 . A A . 6 VAL N 1 1 11 1590 1 1 6 VAL O O 1.932 -2.840 -0.164 1.00 . A A . 6 VAL O 1 1 11 1591 1 1 7 GLY C C 0.231 -3.699 2.077 1.00 . A A . 7 GLY C 1 1 11 1592 1 1 7 GLY CA C 1.100 -2.510 2.436 1.00 . A A . 7 GLY CA 1 1 11 1593 1 1 7 GLY H H 0.735 -0.549 1.644 1.00 . A A . 7 GLY H 1 1 11 1594 1 1 7 GLY HA2 H 2.127 -2.851 2.573 1.00 . A A . 7 GLY HA2 1 1 11 1595 1 1 7 GLY HA3 H 0.743 -2.083 3.373 1.00 . A A . 7 GLY HA3 1 1 11 1596 1 1 7 GLY N N 1.080 -1.481 1.414 1.00 . A A . 7 GLY N 1 1 11 1597 1 1 7 GLY O O 0.470 -4.815 2.541 1.00 . A A . 7 GLY O 1 1 11 1598 1 1 8 HIS C C -1.174 -5.216 -0.427 1.00 . A A . 8 HIS C 1 1 11 1599 1 1 8 HIS CA C -1.691 -4.523 0.831 1.00 . A A . 8 HIS CA 1 1 11 1600 1 1 8 HIS CB C -3.089 -3.957 0.579 1.00 . A A . 8 HIS CB 1 1 11 1601 1 1 8 HIS CD2 C -4.969 -5.732 0.808 1.00 . A A . 8 HIS CD2 1 1 11 1602 1 1 8 HIS CE1 C -5.154 -6.249 -1.312 1.00 . A A . 8 HIS CE1 1 1 11 1603 1 1 8 HIS CG C -4.077 -4.985 0.101 1.00 . A A . 8 HIS CG 1 1 11 1604 1 1 8 HIS H H -0.929 -2.515 0.901 1.00 . A A . 8 HIS H 1 1 11 1605 1 1 8 HIS HA H -1.768 -5.266 1.628 1.00 . A A . 8 HIS HA 1 1 11 1606 1 1 8 HIS HB2 H -3.462 -3.516 1.503 1.00 . A A . 8 HIS HB2 1 1 11 1607 1 1 8 HIS HB3 H -3.010 -3.175 -0.177 1.00 . A A . 8 HIS HB3 1 1 11 1608 1 1 8 HIS HD1 H -3.677 -4.937 -2.017 1.00 . A A . 8 HIS HD1 1 1 11 1609 1 1 8 HIS HD2 H -5.264 -5.560 1.833 1.00 . A A . 8 HIS HD2 1 1 11 1610 1 1 8 HIS HE1 H -5.483 -6.710 -2.231 1.00 . A A . 8 HIS HE1 1 1 11 1611 1 1 8 HIS N N -0.782 -3.462 1.250 1.00 . A A . 8 HIS N 1 1 11 1612 1 1 8 HIS ND1 N -4.208 -5.324 -1.236 1.00 . A A . 8 HIS ND1 1 1 11 1613 1 1 8 HIS NE2 N -5.644 -6.528 -0.101 1.00 . A A . 8 HIS NE2 1 1 11 1614 1 1 8 HIS O O -1.347 -6.423 -0.599 1.00 . A A . 8 HIS O 1 1 11 1615 1 1 9 LEU C C 1.155 -5.942 -2.266 1.00 . A A . 9 LEU C 1 1 11 1616 1 1 9 LEU CA C 0.002 -4.983 -2.546 1.00 . A A . 9 LEU CA 1 1 11 1617 1 1 9 LEU CB C 0.477 -3.846 -3.453 1.00 . A A . 9 LEU CB 1 1 11 1618 1 1 9 LEU CD1 C 0.026 -1.734 -4.725 1.00 . A A . 9 LEU CD1 1 1 11 1619 1 1 9 LEU CD2 C -1.726 -3.514 -4.602 1.00 . A A . 9 LEU CD2 1 1 11 1620 1 1 9 LEU CG C -0.587 -2.828 -3.864 1.00 . A A . 9 LEU CG 1 1 11 1621 1 1 9 LEU H H -0.431 -3.450 -1.102 1.00 . A A . 9 LEU H 1 1 11 1622 1 1 9 LEU HA H -0.784 -5.529 -3.062 1.00 . A A . 9 LEU HA 1 1 11 1623 1 1 9 LEU HB2 H 1.276 -3.314 -2.940 1.00 . A A . 9 LEU HB2 1 1 11 1624 1 1 9 LEU HB3 H 0.886 -4.289 -4.363 1.00 . A A . 9 LEU HB3 1 1 11 1625 1 1 9 LEU HD11 H 0.835 -1.247 -4.180 1.00 . A A . 9 LEU HD11 1 1 11 1626 1 1 9 LEU HD12 H -0.736 -0.997 -4.978 1.00 . A A . 9 LEU HD12 1 1 11 1627 1 1 9 LEU HD13 H 0.420 -2.178 -5.639 1.00 . A A . 9 LEU HD13 1 1 11 1628 1 1 9 LEU HD21 H -2.310 -2.771 -5.148 1.00 . A A . 9 LEU HD21 1 1 11 1629 1 1 9 LEU HD22 H -2.378 -4.027 -3.894 1.00 . A A . 9 LEU HD22 1 1 11 1630 1 1 9 LEU HD23 H -1.314 -4.238 -5.307 1.00 . A A . 9 LEU HD23 1 1 11 1631 1 1 9 LEU HG H -0.984 -2.370 -2.956 1.00 . A A . 9 LEU HG 1 1 11 1632 1 1 9 LEU N N -0.540 -4.444 -1.303 1.00 . A A . 9 LEU N 1 1 11 1633 1 1 9 LEU O O 1.164 -7.074 -2.747 1.00 . A A . 9 LEU O 1 1 11 1634 1 1 10 MET C C 2.935 -7.289 -0.033 1.00 . A A . 10 MET C 1 1 11 1635 1 1 10 MET CA C 3.282 -6.297 -1.139 1.00 . A A . 10 MET CA 1 1 11 1636 1 1 10 MET CB C 4.447 -5.410 -0.696 1.00 . A A . 10 MET CB 1 1 11 1637 1 1 10 MET CE C 6.935 -2.817 -2.816 1.00 . A A . 10 MET CE 1 1 11 1638 1 1 10 MET CG C 5.052 -4.593 -1.827 1.00 . A A . 10 MET CG 1 1 11 1639 1 1 10 MET H H 2.060 -4.530 -1.117 1.00 . A A . 10 MET H 1 1 11 1640 1 1 10 MET HA H 3.596 -6.854 -2.023 1.00 . A A . 10 MET HA 1 1 11 1641 1 1 10 MET HB2 H 4.089 -4.724 0.071 1.00 . A A . 10 MET HB2 1 1 11 1642 1 1 10 MET HB3 H 5.230 -6.039 -0.270 1.00 . A A . 10 MET HB3 1 1 11 1643 1 1 10 MET HE1 H 7.977 -2.496 -2.817 1.00 . A A . 10 MET HE1 1 1 11 1644 1 1 10 MET HE2 H 6.285 -1.943 -2.809 1.00 . A A . 10 MET HE2 1 1 11 1645 1 1 10 MET HE3 H 6.736 -3.411 -3.709 1.00 . A A . 10 MET HE3 1 1 11 1646 1 1 10 MET HG2 H 5.232 -5.254 -2.675 1.00 . A A . 10 MET HG2 1 1 11 1647 1 1 10 MET HG3 H 4.341 -3.820 -2.121 1.00 . A A . 10 MET HG3 1 1 11 1648 1 1 10 MET N N 2.125 -5.479 -1.485 1.00 . A A . 10 MET N 1 1 11 1649 1 1 10 MET O O 2.817 -8.465 -0.333 1.00 . A A . 10 MET O 1 1 11 1650 1 1 10 MET SD S 6.608 -3.811 -1.363 1.00 . A A . 10 MET SD 1 1 12 1651 1 1 1 GLY C C 1.083 8.621 -0.983 1.00 . A A . 1 GLY C 1 1 12 1652 1 1 1 GLY CA C 1.748 9.974 -1.143 1.00 . A A . 1 GLY CA 1 1 12 1653 1 1 1 GLY H1 H 3.689 10.573 -1.406 1.00 . A A . 1 GLY H1 1 1 12 1654 1 1 1 GLY H2 H 3.511 8.979 -0.846 1.00 . A A . 1 GLY H2 1 1 12 1655 1 1 1 GLY H3 H 3.255 10.287 0.207 1.00 . A A . 1 GLY H3 1 1 12 1656 1 1 1 GLY HA2 H 1.228 10.699 -0.516 1.00 . A A . 1 GLY HA2 1 1 12 1657 1 1 1 GLY HA3 H 1.665 10.284 -2.184 1.00 . A A . 1 GLY HA3 1 1 12 1658 1 1 1 GLY N N 3.150 9.953 -0.771 1.00 . A A . 1 GLY N 1 1 12 1659 1 1 1 GLY O O 0.098 8.487 -0.259 1.00 . A A . 1 GLY O 1 1 12 1660 1 1 2 ASN C C 2.034 5.325 -0.871 1.00 . A A . 2 ASN C 1 1 12 1661 1 1 2 ASN CA C 1.076 6.265 -1.595 1.00 . A A . 2 ASN CA 1 1 12 1662 1 1 2 ASN CB C 0.791 5.737 -3.001 1.00 . A A . 2 ASN CB 1 1 12 1663 1 1 2 ASN CG C -0.050 4.474 -2.986 1.00 . A A . 2 ASN CG 1 1 12 1664 1 1 2 ASN H H 2.441 7.790 -2.249 1.00 . A A . 2 ASN H 1 1 12 1665 1 1 2 ASN HA H 0.130 6.275 -1.048 1.00 . A A . 2 ASN HA 1 1 12 1666 1 1 2 ASN HB2 H 0.272 6.508 -3.569 1.00 . A A . 2 ASN HB2 1 1 12 1667 1 1 2 ASN HB3 H 1.742 5.516 -3.487 1.00 . A A . 2 ASN HB3 1 1 12 1668 1 1 2 ASN HD21 H -1.729 5.541 -3.462 1.00 . A A . 2 ASN HD21 1 1 12 1669 1 1 2 ASN HD22 H -1.949 3.801 -3.248 1.00 . A A . 2 ASN HD22 1 1 12 1670 1 1 2 ASN N N 1.624 7.615 -1.663 1.00 . A A . 2 ASN N 1 1 12 1671 1 1 2 ASN ND2 N -1.342 4.621 -3.252 1.00 . A A . 2 ASN ND2 1 1 12 1672 1 1 2 ASN O O 3.024 4.868 -1.443 1.00 . A A . 2 ASN O 1 1 12 1673 1 1 2 ASN OD1 O 0.457 3.381 -2.738 1.00 . A A . 2 ASN OD1 1 1 12 1674 1 1 3 HIS C C 1.724 3.076 1.870 1.00 . A A . 3 HIS C 1 1 12 1675 1 1 3 HIS CA C 2.568 4.152 1.194 1.00 . A A . 3 HIS CA 1 1 12 1676 1 1 3 HIS CB C 3.334 4.950 2.250 1.00 . A A . 3 HIS CB 1 1 12 1677 1 1 3 HIS CD2 C 5.802 4.783 1.459 1.00 . A A . 3 HIS CD2 1 1 12 1678 1 1 3 HIS CE1 C 6.167 6.921 1.157 1.00 . A A . 3 HIS CE1 1 1 12 1679 1 1 3 HIS CG C 4.665 5.464 1.772 1.00 . A A . 3 HIS CG 1 1 12 1680 1 1 3 HIS H H 0.897 5.444 0.810 1.00 . A A . 3 HIS H 1 1 12 1681 1 1 3 HIS HA H 3.295 3.647 0.551 1.00 . A A . 3 HIS HA 1 1 12 1682 1 1 3 HIS HB2 H 2.726 5.805 2.538 1.00 . A A . 3 HIS HB2 1 1 12 1683 1 1 3 HIS HB3 H 3.503 4.329 3.135 1.00 . A A . 3 HIS HB3 1 1 12 1684 1 1 3 HIS HD1 H 4.257 7.579 1.723 1.00 . A A . 3 HIS HD1 1 1 12 1685 1 1 3 HIS HD2 H 5.877 3.717 1.304 1.00 . A A . 3 HIS HD2 1 1 12 1686 1 1 3 HIS HE1 H 6.653 7.856 0.920 1.00 . A A . 3 HIS HE1 1 1 12 1687 1 1 3 HIS N N 1.734 5.039 0.392 1.00 . A A . 3 HIS N 1 1 12 1688 1 1 3 HIS ND1 N 4.913 6.812 1.575 1.00 . A A . 3 HIS ND1 1 1 12 1689 1 1 3 HIS NE2 N 6.745 5.720 1.072 1.00 . A A . 3 HIS NE2 1 1 12 1690 1 1 3 HIS O O 2.123 1.913 1.938 1.00 . A A . 3 HIS O 1 1 12 1691 1 1 4 TRP C C -0.850 1.479 2.067 1.00 . A A . 4 TRP C 1 1 12 1692 1 1 4 TRP CA C -0.342 2.539 3.037 1.00 . A A . 4 TRP CA 1 1 12 1693 1 1 4 TRP CB C -1.523 3.292 3.653 1.00 . A A . 4 TRP CB 1 1 12 1694 1 1 4 TRP CD1 C -1.890 3.009 6.173 1.00 . A A . 4 TRP CD1 1 1 12 1695 1 1 4 TRP CD2 C -2.912 1.464 4.915 1.00 . A A . 4 TRP CD2 1 1 12 1696 1 1 4 TRP CE2 C -3.192 1.196 6.270 1.00 . A A . 4 TRP CE2 1 1 12 1697 1 1 4 TRP CE3 C -3.450 0.622 3.937 1.00 . A A . 4 TRP CE3 1 1 12 1698 1 1 4 TRP CG C -2.078 2.627 4.875 1.00 . A A . 4 TRP CG 1 1 12 1699 1 1 4 TRP CH2 C -4.497 -0.684 5.691 1.00 . A A . 4 TRP CH2 1 1 12 1700 1 1 4 TRP CZ2 C -3.984 0.123 6.669 1.00 . A A . 4 TRP CZ2 1 1 12 1701 1 1 4 TRP CZ3 C -4.236 -0.443 4.335 1.00 . A A . 4 TRP CZ3 1 1 12 1702 1 1 4 TRP H H 0.286 4.450 2.282 1.00 . A A . 4 TRP H 1 1 12 1703 1 1 4 TRP HA H 0.213 2.042 3.833 1.00 . A A . 4 TRP HA 1 1 12 1704 1 1 4 TRP HB2 H -1.181 4.286 3.937 1.00 . A A . 4 TRP HB2 1 1 12 1705 1 1 4 TRP HB3 H -2.319 3.397 2.910 1.00 . A A . 4 TRP HB3 1 1 12 1706 1 1 4 TRP HD1 H -1.304 3.858 6.490 1.00 . A A . 4 TRP HD1 1 1 12 1707 1 1 4 TRP HE1 H -2.582 2.209 8.035 1.00 . A A . 4 TRP HE1 1 1 12 1708 1 1 4 TRP HE3 H -3.254 0.805 2.892 1.00 . A A . 4 TRP HE3 1 1 12 1709 1 1 4 TRP HH2 H -5.115 -1.524 5.973 1.00 . A A . 4 TRP HH2 1 1 12 1710 1 1 4 TRP HZ2 H -4.187 -0.067 7.713 1.00 . A A . 4 TRP HZ2 1 1 12 1711 1 1 4 TRP HZ3 H -4.654 -1.097 3.584 1.00 . A A . 4 TRP HZ3 1 1 12 1712 1 1 4 TRP N N 0.558 3.471 2.367 1.00 . A A . 4 TRP N 1 1 12 1713 1 1 4 TRP NE1 N -2.557 2.153 7.017 1.00 . A A . 4 TRP NE1 1 1 12 1714 1 1 4 TRP O O -0.860 0.289 2.382 1.00 . A A . 4 TRP O 1 1 12 1715 1 1 5 ALA C C -0.755 -0.083 -0.453 1.00 . A A . 5 ALA C 1 1 12 1716 1 1 5 ALA CA C -1.777 1.004 -0.132 1.00 . A A . 5 ALA CA 1 1 12 1717 1 1 5 ALA CB C -2.146 1.772 -1.393 1.00 . A A . 5 ALA CB 1 1 12 1718 1 1 5 ALA H H -1.236 2.916 0.683 1.00 . A A . 5 ALA H 1 1 12 1719 1 1 5 ALA HA H -2.676 0.524 0.257 1.00 . A A . 5 ALA HA 1 1 12 1720 1 1 5 ALA HB1 H -3.090 2.295 -1.237 1.00 . A A . 5 ALA HB1 1 1 12 1721 1 1 5 ALA HB2 H -2.251 1.083 -2.234 1.00 . A A . 5 ALA HB2 1 1 12 1722 1 1 5 ALA HB3 H -1.369 2.496 -1.611 1.00 . A A . 5 ALA HB3 1 1 12 1723 1 1 5 ALA N N -1.269 1.917 0.884 1.00 . A A . 5 ALA N 1 1 12 1724 1 1 5 ALA O O -1.099 -1.259 -0.563 1.00 . A A . 5 ALA O 1 1 12 1725 1 1 6 VAL C C 1.602 -1.768 0.091 1.00 . A A . 6 VAL C 1 1 12 1726 1 1 6 VAL CA C 1.576 -0.620 -0.910 1.00 . A A . 6 VAL CA 1 1 12 1727 1 1 6 VAL CB C 2.948 0.078 -0.916 1.00 . A A . 6 VAL CB 1 1 12 1728 1 1 6 VAL CG1 C 4.043 -0.901 -1.313 1.00 . A A . 6 VAL CG1 1 1 12 1729 1 1 6 VAL CG2 C 2.932 1.280 -1.848 1.00 . A A . 6 VAL CG2 1 1 12 1730 1 1 6 VAL H H 0.724 1.311 -0.500 1.00 . A A . 6 VAL H 1 1 12 1731 1 1 6 VAL HA H 1.404 -1.029 -1.904 1.00 . A A . 6 VAL HA 1 1 12 1732 1 1 6 VAL HB H 3.154 0.428 0.097 1.00 . A A . 6 VAL HB 1 1 12 1733 1 1 6 VAL HG11 H 4.977 -0.360 -1.472 1.00 . A A . 6 VAL HG11 1 1 12 1734 1 1 6 VAL HG12 H 3.752 -1.404 -2.235 1.00 . A A . 6 VAL HG12 1 1 12 1735 1 1 6 VAL HG13 H 4.183 -1.640 -0.524 1.00 . A A . 6 VAL HG13 1 1 12 1736 1 1 6 VAL HG21 H 2.119 1.951 -1.571 1.00 . A A . 6 VAL HG21 1 1 12 1737 1 1 6 VAL HG22 H 2.786 0.934 -2.871 1.00 . A A . 6 VAL HG22 1 1 12 1738 1 1 6 VAL HG23 H 3.881 1.812 -1.777 1.00 . A A . 6 VAL HG23 1 1 12 1739 1 1 6 VAL N N 0.503 0.320 -0.603 1.00 . A A . 6 VAL N 1 1 12 1740 1 1 6 VAL O O 1.938 -2.900 -0.256 1.00 . A A . 6 VAL O 1 1 12 1741 1 1 7 GLY C C 0.238 -3.589 2.090 1.00 . A A . 7 GLY C 1 1 12 1742 1 1 7 GLY CA C 1.239 -2.486 2.371 1.00 . A A . 7 GLY CA 1 1 12 1743 1 1 7 GLY H H 0.979 -0.512 1.563 1.00 . A A . 7 GLY H 1 1 12 1744 1 1 7 GLY HA2 H 2.229 -2.895 2.485 1.00 . A A . 7 GLY HA2 1 1 12 1745 1 1 7 GLY HA3 H 0.957 -2.006 3.307 1.00 . A A . 7 GLY HA3 1 1 12 1746 1 1 7 GLY N N 1.248 -1.469 1.336 1.00 . A A . 7 GLY N 1 1 12 1747 1 1 7 GLY O O 0.366 -4.700 2.606 1.00 . A A . 7 GLY O 1 1 12 1748 1 1 8 HIS C C -1.471 -4.933 -0.408 1.00 . A A . 8 HIS C 1 1 12 1749 1 1 8 HIS CA C -1.791 -4.258 0.922 1.00 . A A . 8 HIS CA 1 1 12 1750 1 1 8 HIS CB C -3.161 -3.581 0.847 1.00 . A A . 8 HIS CB 1 1 12 1751 1 1 8 HIS CD2 C -5.350 -4.866 0.297 1.00 . A A . 8 HIS CD2 1 1 12 1752 1 1 8 HIS CE1 C -5.550 -5.942 2.193 1.00 . A A . 8 HIS CE1 1 1 12 1753 1 1 8 HIS CG C -4.307 -4.522 1.103 1.00 . A A . 8 HIS CG 1 1 12 1754 1 1 8 HIS H H -0.818 -2.343 0.881 1.00 . A A . 8 HIS H 1 1 12 1755 1 1 8 HIS HA H -1.832 -5.028 1.698 1.00 . A A . 8 HIS HA 1 1 12 1756 1 1 8 HIS HB2 H -3.194 -2.795 1.600 1.00 . A A . 8 HIS HB2 1 1 12 1757 1 1 8 HIS HB3 H -3.285 -3.125 -0.138 1.00 . A A . 8 HIS HB3 1 1 12 1758 1 1 8 HIS HD1 H -3.828 -5.166 3.103 1.00 . A A . 8 HIS HD1 1 1 12 1759 1 1 8 HIS HD2 H -5.421 -4.669 -0.762 1.00 . A A . 8 HIS HD2 1 1 12 1760 1 1 8 HIS HE1 H -5.926 -6.592 2.970 1.00 . A A . 8 HIS HE1 1 1 12 1761 1 1 8 HIS N N -0.762 -3.284 1.271 1.00 . A A . 8 HIS N 1 1 12 1762 1 1 8 HIS ND1 N -4.450 -5.211 2.296 1.00 . A A . 8 HIS ND1 1 1 12 1763 1 1 8 HIS NE2 N -6.128 -5.766 1.002 1.00 . A A . 8 HIS NE2 1 1 12 1764 1 1 8 HIS O O -1.764 -6.113 -0.603 1.00 . A A . 8 HIS O 1 1 12 1765 1 1 9 LEU C C 0.724 -5.591 -2.545 1.00 . A A . 9 LEU C 1 1 12 1766 1 1 9 LEU CA C -0.513 -4.702 -2.633 1.00 . A A . 9 LEU CA 1 1 12 1767 1 1 9 LEU CB C -0.261 -3.554 -3.611 1.00 . A A . 9 LEU CB 1 1 12 1768 1 1 9 LEU CD1 C -0.872 -1.254 -4.401 1.00 . A A . 9 LEU CD1 1 1 12 1769 1 1 9 LEU CD2 C -2.546 -3.107 -4.540 1.00 . A A . 9 LEU CD2 1 1 12 1770 1 1 9 LEU CG C -1.385 -2.527 -3.745 1.00 . A A . 9 LEU CG 1 1 12 1771 1 1 9 LEU H H -0.659 -3.204 -1.098 1.00 . A A . 9 LEU H 1 1 12 1772 1 1 9 LEU HA H -1.344 -5.296 -3.012 1.00 . A A . 9 LEU HA 1 1 12 1773 1 1 9 LEU HB2 H 0.641 -3.036 -3.285 1.00 . A A . 9 LEU HB2 1 1 12 1774 1 1 9 LEU HB3 H -0.073 -3.983 -4.596 1.00 . A A . 9 LEU HB3 1 1 12 1775 1 1 9 LEU HD11 H -0.093 -0.806 -3.783 1.00 . A A . 9 LEU HD11 1 1 12 1776 1 1 9 LEU HD12 H -1.695 -0.549 -4.516 1.00 . A A . 9 LEU HD12 1 1 12 1777 1 1 9 LEU HD13 H -0.462 -1.499 -5.380 1.00 . A A . 9 LEU HD13 1 1 12 1778 1 1 9 LEU HD21 H -3.006 -3.926 -3.988 1.00 . A A . 9 LEU HD21 1 1 12 1779 1 1 9 LEU HD22 H -2.175 -3.477 -5.497 1.00 . A A . 9 LEU HD22 1 1 12 1780 1 1 9 LEU HD23 H -3.288 -2.329 -4.716 1.00 . A A . 9 LEU HD23 1 1 12 1781 1 1 9 LEU HG H -1.737 -2.281 -2.743 1.00 . A A . 9 LEU HG 1 1 12 1782 1 1 9 LEU N N -0.872 -4.177 -1.320 1.00 . A A . 9 LEU N 1 1 12 1783 1 1 9 LEU O O 0.872 -6.543 -3.310 1.00 . A A . 9 LEU O 1 1 12 1784 1 1 10 MET C C 2.510 -7.503 -1.103 1.00 . A A . 10 MET C 1 1 12 1785 1 1 10 MET CA C 2.831 -6.045 -1.415 1.00 . A A . 10 MET CA 1 1 12 1786 1 1 10 MET CB C 3.670 -5.443 -0.285 1.00 . A A . 10 MET CB 1 1 12 1787 1 1 10 MET CE C 4.861 -6.690 2.487 1.00 . A A . 10 MET CE 1 1 12 1788 1 1 10 MET CG C 2.924 -5.340 1.035 1.00 . A A . 10 MET CG 1 1 12 1789 1 1 10 MET H H 1.425 -4.474 -1.000 1.00 . A A . 10 MET H 1 1 12 1790 1 1 10 MET HA H 3.407 -6.009 -2.339 1.00 . A A . 10 MET HA 1 1 12 1791 1 1 10 MET HB2 H 4.544 -6.076 -0.135 1.00 . A A . 10 MET HB2 1 1 12 1792 1 1 10 MET HB3 H 4.005 -4.451 -0.595 1.00 . A A . 10 MET HB3 1 1 12 1793 1 1 10 MET HE1 H 5.029 -7.136 3.467 1.00 . A A . 10 MET HE1 1 1 12 1794 1 1 10 MET HE2 H 5.155 -5.641 2.513 1.00 . A A . 10 MET HE2 1 1 12 1795 1 1 10 MET HE3 H 5.458 -7.216 1.742 1.00 . A A . 10 MET HE3 1 1 12 1796 1 1 10 MET HG2 H 3.322 -4.499 1.586 1.00 . A A . 10 MET HG2 1 1 12 1797 1 1 10 MET HG3 H 1.868 -5.175 0.834 1.00 . A A . 10 MET HG3 1 1 12 1798 1 1 10 MET N N 1.608 -5.273 -1.605 1.00 . A A . 10 MET N 1 1 12 1799 1 1 10 MET O O 1.353 -7.791 -0.846 1.00 . A A . 10 MET O 1 1 12 1800 1 1 10 MET SD S 3.125 -6.808 2.063 1.00 . A A . 10 MET SD 1 1 13 1801 1 1 1 GLY C C -0.194 6.621 -3.532 1.00 . A A . 1 GLY C 1 1 13 1802 1 1 1 GLY CA C -0.211 6.315 -5.016 1.00 . A A . 1 GLY CA 1 1 13 1803 1 1 1 GLY H1 H 1.746 6.677 -5.492 1.00 . A A . 1 GLY H1 1 1 13 1804 1 1 1 GLY H2 H 0.752 8.055 -5.499 1.00 . A A . 1 GLY H2 1 1 13 1805 1 1 1 GLY H3 H 0.659 6.927 -6.767 1.00 . A A . 1 GLY H3 1 1 13 1806 1 1 1 GLY HA2 H -1.189 6.578 -5.420 1.00 . A A . 1 GLY HA2 1 1 13 1807 1 1 1 GLY HA3 H -0.047 5.246 -5.156 1.00 . A A . 1 GLY HA3 1 1 13 1808 1 1 1 GLY N N 0.808 7.045 -5.746 1.00 . A A . 1 GLY N 1 1 13 1809 1 1 1 GLY O O -0.112 7.781 -3.132 1.00 . A A . 1 GLY O 1 1 13 1810 1 1 2 ASN C C 0.693 4.753 -0.609 1.00 . A A . 2 ASN C 1 1 13 1811 1 1 2 ASN CA C -0.267 5.741 -1.263 1.00 . A A . 2 ASN CA 1 1 13 1812 1 1 2 ASN CB C -1.677 5.547 -0.703 1.00 . A A . 2 ASN CB 1 1 13 1813 1 1 2 ASN CG C -1.870 6.245 0.630 1.00 . A A . 2 ASN CG 1 1 13 1814 1 1 2 ASN H H -0.337 4.639 -3.106 1.00 . A A . 2 ASN H 1 1 13 1815 1 1 2 ASN HA H 0.068 6.752 -1.013 1.00 . A A . 2 ASN HA 1 1 13 1816 1 1 2 ASN HB2 H -2.389 5.964 -1.414 1.00 . A A . 2 ASN HB2 1 1 13 1817 1 1 2 ASN HB3 H -1.879 4.481 -0.587 1.00 . A A . 2 ASN HB3 1 1 13 1818 1 1 2 ASN HD21 H -2.400 4.481 1.520 1.00 . A A . 2 ASN HD21 1 1 13 1819 1 1 2 ASN HD22 H -2.381 5.904 2.567 1.00 . A A . 2 ASN HD22 1 1 13 1820 1 1 2 ASN N N -0.272 5.578 -2.713 1.00 . A A . 2 ASN N 1 1 13 1821 1 1 2 ASN ND2 N -2.246 5.481 1.649 1.00 . A A . 2 ASN ND2 1 1 13 1822 1 1 2 ASN O O 0.616 3.547 -0.843 1.00 . A A . 2 ASN O 1 1 13 1823 1 1 2 ASN OD1 O -1.682 7.457 0.742 1.00 . A A . 2 ASN OD1 1 1 13 1824 1 1 3 HIS C C 1.876 3.360 1.734 1.00 . A A . 3 HIS C 1 1 13 1825 1 1 3 HIS CA C 2.573 4.437 0.906 1.00 . A A . 3 HIS CA 1 1 13 1826 1 1 3 HIS CB C 3.464 5.291 1.807 1.00 . A A . 3 HIS CB 1 1 13 1827 1 1 3 HIS CD2 C 5.565 5.293 0.281 1.00 . A A . 3 HIS CD2 1 1 13 1828 1 1 3 HIS CE1 C 6.075 7.412 0.472 1.00 . A A . 3 HIS CE1 1 1 13 1829 1 1 3 HIS CG C 4.652 5.884 1.101 1.00 . A A . 3 HIS CG 1 1 13 1830 1 1 3 HIS H H 1.611 6.281 0.369 1.00 . A A . 3 HIS H 1 1 13 1831 1 1 3 HIS HA H 3.202 3.947 0.162 1.00 . A A . 3 HIS HA 1 1 13 1832 1 1 3 HIS HB2 H 2.866 6.109 2.206 1.00 . A A . 3 HIS HB2 1 1 13 1833 1 1 3 HIS HB3 H 3.828 4.686 2.642 1.00 . A A . 3 HIS HB3 1 1 13 1834 1 1 3 HIS HD1 H 4.498 7.931 1.757 1.00 . A A . 3 HIS HD1 1 1 13 1835 1 1 3 HIS HD2 H 5.710 4.229 0.161 1.00 . A A . 3 HIS HD2 1 1 13 1836 1 1 3 HIS HE1 H 6.579 8.360 0.362 1.00 . A A . 3 HIS HE1 1 1 13 1837 1 1 3 HIS N N 1.599 5.273 0.215 1.00 . A A . 3 HIS N 1 1 13 1838 1 1 3 HIS ND1 N 4.990 7.223 1.211 1.00 . A A . 3 HIS ND1 1 1 13 1839 1 1 3 HIS NE2 N 6.458 6.275 -0.108 1.00 . A A . 3 HIS NE2 1 1 13 1840 1 1 3 HIS O O 2.399 2.258 1.903 1.00 . A A . 3 HIS O 1 1 13 1841 1 1 4 TRP C C -0.675 1.649 2.192 1.00 . A A . 4 TRP C 1 1 13 1842 1 1 4 TRP CA C -0.072 2.750 3.058 1.00 . A A . 4 TRP CA 1 1 13 1843 1 1 4 TRP CB C -1.179 3.484 3.815 1.00 . A A . 4 TRP CB 1 1 13 1844 1 1 4 TRP CD1 C -1.173 3.233 6.365 1.00 . A A . 4 TRP CD1 1 1 13 1845 1 1 4 TRP CD2 C -2.351 1.662 5.289 1.00 . A A . 4 TRP CD2 1 1 13 1846 1 1 4 TRP CE2 C -2.428 1.412 6.673 1.00 . A A . 4 TRP CE2 1 1 13 1847 1 1 4 TRP CE3 C -3.017 0.803 4.411 1.00 . A A . 4 TRP CE3 1 1 13 1848 1 1 4 TRP CG C -1.544 2.832 5.114 1.00 . A A . 4 TRP CG 1 1 13 1849 1 1 4 TRP CH2 C -3.786 -0.488 6.313 1.00 . A A . 4 TRP CH2 1 1 13 1850 1 1 4 TRP CZ2 C -3.143 0.338 7.196 1.00 . A A . 4 TRP CZ2 1 1 13 1851 1 1 4 TRP CZ3 C -3.726 -0.263 4.931 1.00 . A A . 4 TRP CZ3 1 1 13 1852 1 1 4 TRP H H 0.316 4.620 2.074 1.00 . A A . 4 TRP H 1 1 13 1853 1 1 4 TRP HA H 0.603 2.291 3.782 1.00 . A A . 4 TRP HA 1 1 13 1854 1 1 4 TRP HB2 H -0.831 4.493 4.031 1.00 . A A . 4 TRP HB2 1 1 13 1855 1 1 4 TRP HB3 H -2.070 3.551 3.186 1.00 . A A . 4 TRP HB3 1 1 13 1856 1 1 4 TRP HD1 H -0.555 4.092 6.582 1.00 . A A . 4 TRP HD1 1 1 13 1857 1 1 4 TRP HE1 H -1.578 2.454 8.317 1.00 . A A . 4 TRP HE1 1 1 13 1858 1 1 4 TRP HE3 H -2.974 0.973 3.345 1.00 . A A . 4 TRP HE3 1 1 13 1859 1 1 4 TRP HH2 H -4.348 -1.328 6.691 1.00 . A A . 4 TRP HH2 1 1 13 1860 1 1 4 TRP HZ2 H -3.191 0.161 8.260 1.00 . A A . 4 TRP HZ2 1 1 13 1861 1 1 4 TRP HZ3 H -4.242 -0.930 4.256 1.00 . A A . 4 TRP HZ3 1 1 13 1862 1 1 4 TRP N N 0.695 3.688 2.248 1.00 . A A . 4 TRP N 1 1 13 1863 1 1 4 TRP NE1 N -1.701 2.384 7.307 1.00 . A A . 4 TRP NE1 1 1 13 1864 1 1 4 TRP O O -0.683 0.479 2.576 1.00 . A A . 4 TRP O 1 1 13 1865 1 1 5 ALA C C -0.798 -0.033 -0.261 1.00 . A A . 5 ALA C 1 1 13 1866 1 1 5 ALA CA C -1.780 1.075 0.102 1.00 . A A . 5 ALA CA 1 1 13 1867 1 1 5 ALA CB C -2.265 1.786 -1.153 1.00 . A A . 5 ALA CB 1 1 13 1868 1 1 5 ALA H H -1.140 3.016 0.762 1.00 . A A . 5 ALA H 1 1 13 1869 1 1 5 ALA HA H -2.641 0.622 0.592 1.00 . A A . 5 ALA HA 1 1 13 1870 1 1 5 ALA HB1 H -1.445 2.364 -1.578 1.00 . A A . 5 ALA HB1 1 1 13 1871 1 1 5 ALA HB2 H -3.089 2.454 -0.899 1.00 . A A . 5 ALA HB2 1 1 13 1872 1 1 5 ALA HB3 H -2.605 1.049 -1.881 1.00 . A A . 5 ALA HB3 1 1 13 1873 1 1 5 ALA N N -1.178 2.030 1.023 1.00 . A A . 5 ALA N 1 1 13 1874 1 1 5 ALA O O -1.189 -1.181 -0.471 1.00 . A A . 5 ALA O 1 1 13 1875 1 1 6 VAL C C 1.490 -1.840 0.273 1.00 . A A . 6 VAL C 1 1 13 1876 1 1 6 VAL CA C 1.524 -0.646 -0.672 1.00 . A A . 6 VAL CA 1 1 13 1877 1 1 6 VAL CB C 2.920 -0.003 -0.622 1.00 . A A . 6 VAL CB 1 1 13 1878 1 1 6 VAL CG1 C 3.987 -1.010 -1.028 1.00 . A A . 6 VAL CG1 1 1 13 1879 1 1 6 VAL CG2 C 2.974 1.228 -1.514 1.00 . A A . 6 VAL CG2 1 1 13 1880 1 1 6 VAL H H 0.745 1.288 -0.148 1.00 . A A . 6 VAL H 1 1 13 1881 1 1 6 VAL HA H 1.348 -0.999 -1.678 1.00 . A A . 6 VAL HA 1 1 13 1882 1 1 6 VAL HB H 3.117 0.306 0.406 1.00 . A A . 6 VAL HB 1 1 13 1883 1 1 6 VAL HG11 H 4.944 -0.502 -1.146 1.00 . A A . 6 VAL HG11 1 1 13 1884 1 1 6 VAL HG12 H 3.700 -1.470 -1.974 1.00 . A A . 6 VAL HG12 1 1 13 1885 1 1 6 VAL HG13 H 4.078 -1.780 -0.262 1.00 . A A . 6 VAL HG13 1 1 13 1886 1 1 6 VAL HG21 H 2.084 1.830 -1.366 1.00 . A A . 6 VAL HG21 1 1 13 1887 1 1 6 VAL HG22 H 3.026 0.909 -2.555 1.00 . A A . 6 VAL HG22 1 1 13 1888 1 1 6 VAL HG23 H 3.857 1.819 -1.270 1.00 . A A . 6 VAL HG23 1 1 13 1889 1 1 6 VAL N N 0.483 0.320 -0.335 1.00 . A A . 6 VAL N 1 1 13 1890 1 1 6 VAL O O 1.903 -2.943 -0.089 1.00 . A A . 6 VAL O 1 1 13 1891 1 1 7 GLY C C 0.043 -3.833 2.002 1.00 . A A . 7 GLY C 1 1 13 1892 1 1 7 GLY CA C 0.919 -2.684 2.465 1.00 . A A . 7 GLY CA 1 1 13 1893 1 1 7 GLY H H 0.668 -0.683 1.731 1.00 . A A . 7 GLY H 1 1 13 1894 1 1 7 GLY HA2 H 1.923 -3.062 2.655 1.00 . A A . 7 GLY HA2 1 1 13 1895 1 1 7 GLY HA3 H 0.512 -2.281 3.393 1.00 . A A . 7 GLY HA3 1 1 13 1896 1 1 7 GLY N N 0.997 -1.617 1.486 1.00 . A A . 7 GLY N 1 1 13 1897 1 1 7 GLY O O 0.170 -4.957 2.490 1.00 . A A . 7 GLY O 1 1 13 1898 1 1 8 HIS C C -1.117 -5.300 -0.645 1.00 . A A . 8 HIS C 1 1 13 1899 1 1 8 HIS CA C -1.754 -4.567 0.533 1.00 . A A . 8 HIS CA 1 1 13 1900 1 1 8 HIS CB C -3.074 -3.933 0.101 1.00 . A A . 8 HIS CB 1 1 13 1901 1 1 8 HIS CD2 C -3.850 -3.831 2.577 1.00 . A A . 8 HIS CD2 1 1 13 1902 1 1 8 HIS CE1 C -5.873 -3.070 2.226 1.00 . A A . 8 HIS CE1 1 1 13 1903 1 1 8 HIS CG C -4.026 -3.670 1.236 1.00 . A A . 8 HIS CG 1 1 13 1904 1 1 8 HIS H H -0.912 -2.597 0.700 1.00 . A A . 8 HIS H 1 1 13 1905 1 1 8 HIS HA H -1.969 -5.297 1.317 1.00 . A A . 8 HIS HA 1 1 13 1906 1 1 8 HIS HB2 H -2.855 -2.985 -0.385 1.00 . A A . 8 HIS HB2 1 1 13 1907 1 1 8 HIS HB3 H -3.572 -4.589 -0.619 1.00 . A A . 8 HIS HB3 1 1 13 1908 1 1 8 HIS HD1 H -5.739 -2.964 0.135 1.00 . A A . 8 HIS HD1 1 1 13 1909 1 1 8 HIS HD2 H -2.905 -3.987 3.076 1.00 . A A . 8 HIS HD2 1 1 13 1910 1 1 8 HIS HE1 H -6.880 -2.716 2.392 1.00 . A A . 8 HIS HE1 1 1 13 1911 1 1 8 HIS N N -0.852 -3.550 1.061 1.00 . A A . 8 HIS N 1 1 13 1912 1 1 8 HIS ND1 N -5.309 -3.188 1.033 1.00 . A A . 8 HIS ND1 1 1 13 1913 1 1 8 HIS NE2 N -5.030 -3.447 3.191 1.00 . A A . 8 HIS NE2 1 1 13 1914 1 1 8 HIS O O -1.250 -6.517 -0.776 1.00 . A A . 8 HIS O 1 1 13 1915 1 1 9 LEU C C 1.214 -6.218 -2.253 1.00 . A A . 9 LEU C 1 1 13 1916 1 1 9 LEU CA C 0.229 -5.129 -2.665 1.00 . A A . 9 LEU CA 1 1 13 1917 1 1 9 LEU CB C 0.956 -4.041 -3.457 1.00 . A A . 9 LEU CB 1 1 13 1918 1 1 9 LEU CD1 C 0.951 -1.726 -4.417 1.00 . A A . 9 LEU CD1 1 1 13 1919 1 1 9 LEU CD2 C -0.782 -3.379 -5.138 1.00 . A A . 9 LEU CD2 1 1 13 1920 1 1 9 LEU CG C 0.086 -2.899 -3.985 1.00 . A A . 9 LEU CG 1 1 13 1921 1 1 9 LEU H H -0.360 -3.547 -1.335 1.00 . A A . 9 LEU H 1 1 13 1922 1 1 9 LEU HA H -0.528 -5.572 -3.307 1.00 . A A . 9 LEU HA 1 1 13 1923 1 1 9 LEU HB2 H 1.719 -3.629 -2.801 1.00 . A A . 9 LEU HB2 1 1 13 1924 1 1 9 LEU HB3 H 1.453 -4.514 -4.305 1.00 . A A . 9 LEU HB3 1 1 13 1925 1 1 9 LEU HD11 H 0.370 -0.804 -4.355 1.00 . A A . 9 LEU HD11 1 1 13 1926 1 1 9 LEU HD12 H 1.267 -1.877 -5.452 1.00 . A A . 9 LEU HD12 1 1 13 1927 1 1 9 LEU HD13 H 1.838 -1.631 -3.796 1.00 . A A . 9 LEU HD13 1 1 13 1928 1 1 9 LEU HD21 H -1.246 -2.520 -5.623 1.00 . A A . 9 LEU HD21 1 1 13 1929 1 1 9 LEU HD22 H -1.560 -4.044 -4.767 1.00 . A A . 9 LEU HD22 1 1 13 1930 1 1 9 LEU HD23 H -0.163 -3.910 -5.861 1.00 . A A . 9 LEU HD23 1 1 13 1931 1 1 9 LEU HG H -0.565 -2.571 -3.172 1.00 . A A . 9 LEU HG 1 1 13 1932 1 1 9 LEU N N -0.428 -4.552 -1.498 1.00 . A A . 9 LEU N 1 1 13 1933 1 1 9 LEU O O 1.156 -7.343 -2.750 1.00 . A A . 9 LEU O 1 1 13 1934 1 1 10 MET C C 2.446 -8.101 -0.348 1.00 . A A . 10 MET C 1 1 13 1935 1 1 10 MET CA C 3.112 -6.827 -0.857 1.00 . A A . 10 MET CA 1 1 13 1936 1 1 10 MET CB C 3.952 -6.197 0.255 1.00 . A A . 10 MET CB 1 1 13 1937 1 1 10 MET CE C 3.503 -6.061 4.147 1.00 . A A . 10 MET CE 1 1 13 1938 1 1 10 MET CG C 3.127 -5.689 1.427 1.00 . A A . 10 MET CG 1 1 13 1939 1 1 10 MET H H 2.111 -4.930 -0.964 1.00 . A A . 10 MET H 1 1 13 1940 1 1 10 MET HA H 3.767 -7.088 -1.688 1.00 . A A . 10 MET HA 1 1 13 1941 1 1 10 MET HB2 H 4.646 -6.950 0.630 1.00 . A A . 10 MET HB2 1 1 13 1942 1 1 10 MET HB3 H 4.527 -5.373 -0.172 1.00 . A A . 10 MET HB3 1 1 13 1943 1 1 10 MET HE1 H 2.811 -5.256 4.395 1.00 . A A . 10 MET HE1 1 1 13 1944 1 1 10 MET HE2 H 3.582 -6.746 4.990 1.00 . A A . 10 MET HE2 1 1 13 1945 1 1 10 MET HE3 H 4.484 -5.640 3.927 1.00 . A A . 10 MET HE3 1 1 13 1946 1 1 10 MET HG2 H 3.623 -4.824 1.871 1.00 . A A . 10 MET HG2 1 1 13 1947 1 1 10 MET HG3 H 2.147 -5.378 1.058 1.00 . A A . 10 MET HG3 1 1 13 1948 1 1 10 MET N N 2.116 -5.877 -1.339 1.00 . A A . 10 MET N 1 1 13 1949 1 1 10 MET O O 3.090 -9.136 -0.378 1.00 . A A . 10 MET O 1 1 13 1950 1 1 10 MET SD S 2.897 -6.937 2.707 1.00 . A A . 10 MET SD 1 1 14 1951 1 1 1 GLY C C -0.133 5.927 -3.663 1.00 . A A . 1 GLY C 1 1 14 1952 1 1 1 GLY CA C -0.779 5.336 -4.900 1.00 . A A . 1 GLY CA 1 1 14 1953 1 1 1 GLY H1 H -1.435 7.107 -5.691 1.00 . A A . 1 GLY H1 1 1 14 1954 1 1 1 GLY H2 H -1.315 5.836 -6.813 1.00 . A A . 1 GLY H2 1 1 14 1955 1 1 1 GLY H3 H 0.087 6.612 -6.248 1.00 . A A . 1 GLY H3 1 1 14 1956 1 1 1 GLY HA2 H -1.784 4.999 -4.646 1.00 . A A . 1 GLY HA2 1 1 14 1957 1 1 1 GLY HA3 H -0.192 4.480 -5.229 1.00 . A A . 1 GLY HA3 1 1 14 1958 1 1 1 GLY N N -0.867 6.290 -5.990 1.00 . A A . 1 GLY N 1 1 14 1959 1 1 1 GLY O O 0.398 7.036 -3.701 1.00 . A A . 1 GLY O 1 1 14 1960 1 1 2 ASN C C 1.050 4.485 -0.551 1.00 . A A . 2 ASN C 1 1 14 1961 1 1 2 ASN CA C 0.405 5.643 -1.306 1.00 . A A . 2 ASN CA 1 1 14 1962 1 1 2 ASN CB C -0.665 6.302 -0.433 1.00 . A A . 2 ASN CB 1 1 14 1963 1 1 2 ASN CG C -0.080 6.951 0.807 1.00 . A A . 2 ASN CG 1 1 14 1964 1 1 2 ASN H H -0.634 4.273 -2.594 1.00 . A A . 2 ASN H 1 1 14 1965 1 1 2 ASN HA H 1.179 6.385 -1.516 1.00 . A A . 2 ASN HA 1 1 14 1966 1 1 2 ASN HB2 H -1.172 7.068 -1.020 1.00 . A A . 2 ASN HB2 1 1 14 1967 1 1 2 ASN HB3 H -1.391 5.544 -0.136 1.00 . A A . 2 ASN HB3 1 1 14 1968 1 1 2 ASN HD21 H -1.009 5.579 2.008 1.00 . A A . 2 ASN HD21 1 1 14 1969 1 1 2 ASN HD22 H -0.024 6.792 2.833 1.00 . A A . 2 ASN HD22 1 1 14 1970 1 1 2 ASN N N -0.179 5.185 -2.561 1.00 . A A . 2 ASN N 1 1 14 1971 1 1 2 ASN ND2 N -0.397 6.394 1.971 1.00 . A A . 2 ASN ND2 1 1 14 1972 1 1 2 ASN O O 0.752 3.318 -0.809 1.00 . A A . 2 ASN O 1 1 14 1973 1 1 2 ASN OD1 O 0.649 7.939 0.719 1.00 . A A . 2 ASN OD1 1 1 14 1974 1 1 3 HIS C C 1.626 2.838 1.809 1.00 . A A . 3 HIS C 1 1 14 1975 1 1 3 HIS CA C 2.624 3.803 1.176 1.00 . A A . 3 HIS CA 1 1 14 1976 1 1 3 HIS CB C 3.471 4.463 2.264 1.00 . A A . 3 HIS CB 1 1 14 1977 1 1 3 HIS CD2 C 4.884 2.415 3.006 1.00 . A A . 3 HIS CD2 1 1 14 1978 1 1 3 HIS CE1 C 4.540 2.579 5.162 1.00 . A A . 3 HIS CE1 1 1 14 1979 1 1 3 HIS CG C 4.078 3.490 3.236 1.00 . A A . 3 HIS CG 1 1 14 1980 1 1 3 HIS H H 2.141 5.801 0.548 1.00 . A A . 3 HIS H 1 1 14 1981 1 1 3 HIS HA H 3.288 3.238 0.523 1.00 . A A . 3 HIS HA 1 1 14 1982 1 1 3 HIS HB2 H 4.274 5.024 1.788 1.00 . A A . 3 HIS HB2 1 1 14 1983 1 1 3 HIS HB3 H 2.837 5.157 2.817 1.00 . A A . 3 HIS HB3 1 1 14 1984 1 1 3 HIS HD1 H 3.314 4.279 5.087 1.00 . A A . 3 HIS HD1 1 1 14 1985 1 1 3 HIS HD2 H 5.396 2.197 2.080 1.00 . A A . 3 HIS HD2 1 1 14 1986 1 1 3 HIS HE1 H 4.570 2.384 6.224 1.00 . A A . 3 HIS HE1 1 1 14 1987 1 1 3 HIS N N 1.936 4.815 0.383 1.00 . A A . 3 HIS N 1 1 14 1988 1 1 3 HIS ND1 N 3.872 3.578 4.602 1.00 . A A . 3 HIS ND1 1 1 14 1989 1 1 3 HIS NE2 N 5.167 1.849 4.237 1.00 . A A . 3 HIS NE2 1 1 14 1990 1 1 3 HIS O O 1.791 1.620 1.732 1.00 . A A . 3 HIS O 1 1 14 1991 1 1 4 TRP C C -1.075 1.617 2.082 1.00 . A A . 4 TRP C 1 1 14 1992 1 1 4 TRP CA C -0.434 2.577 3.079 1.00 . A A . 4 TRP CA 1 1 14 1993 1 1 4 TRP CB C -1.505 3.473 3.704 1.00 . A A . 4 TRP CB 1 1 14 1994 1 1 4 TRP CD1 C -1.918 3.162 6.214 1.00 . A A . 4 TRP CD1 1 1 14 1995 1 1 4 TRP CD2 C -3.171 1.846 4.905 1.00 . A A . 4 TRP CD2 1 1 14 1996 1 1 4 TRP CE2 C -3.493 1.579 6.249 1.00 . A A . 4 TRP CE2 1 1 14 1997 1 1 4 TRP CE3 C -3.835 1.137 3.899 1.00 . A A . 4 TRP CE3 1 1 14 1998 1 1 4 TRP CG C -2.163 2.862 4.904 1.00 . A A . 4 TRP CG 1 1 14 1999 1 1 4 TRP CH2 C -5.082 -0.047 5.607 1.00 . A A . 4 TRP CH2 1 1 14 2000 1 1 4 TRP CZ2 C -4.448 0.633 6.612 1.00 . A A . 4 TRP CZ2 1 1 14 2001 1 1 4 TRP CZ3 C -4.783 0.198 4.261 1.00 . A A . 4 TRP CZ3 1 1 14 2002 1 1 4 TRP H H 0.509 4.406 2.462 1.00 . A A . 4 TRP H 1 1 14 2003 1 1 4 TRP HA H 0.041 1.994 3.869 1.00 . A A . 4 TRP HA 1 1 14 2004 1 1 4 TRP HB2 H -1.030 4.401 4.017 1.00 . A A . 4 TRP HB2 1 1 14 2005 1 1 4 TRP HB3 H -2.267 3.706 2.958 1.00 . A A . 4 TRP HB3 1 1 14 2006 1 1 4 TRP HD1 H -1.203 3.895 6.559 1.00 . A A . 4 TRP HD1 1 1 14 2007 1 1 4 TRP HE1 H -2.734 2.417 8.047 1.00 . A A . 4 TRP HE1 1 1 14 2008 1 1 4 TRP HE3 H -3.609 1.323 2.860 1.00 . A A . 4 TRP HE3 1 1 14 2009 1 1 4 TRP HH2 H -5.828 -0.787 5.861 1.00 . A A . 4 TRP HH2 1 1 14 2010 1 1 4 TRP HZ2 H -4.681 0.442 7.649 1.00 . A A . 4 TRP HZ2 1 1 14 2011 1 1 4 TRP HZ3 H -5.299 -0.354 3.488 1.00 . A A . 4 TRP HZ3 1 1 14 2012 1 1 4 TRP N N 0.590 3.390 2.432 1.00 . A A . 4 TRP N 1 1 14 2013 1 1 4 TRP NE1 N -2.715 2.394 7.028 1.00 . A A . 4 TRP NE1 1 1 14 2014 1 1 4 TRP O O -1.420 0.487 2.429 1.00 . A A . 4 TRP O 1 1 14 2015 1 1 5 ALA C C -0.865 0.168 -0.668 1.00 . A A . 5 ALA C 1 1 14 2016 1 1 5 ALA CA C -1.831 1.253 -0.202 1.00 . A A . 5 ALA CA 1 1 14 2017 1 1 5 ALA CB C -2.257 2.123 -1.375 1.00 . A A . 5 ALA CB 1 1 14 2018 1 1 5 ALA H H -0.928 3.020 0.621 1.00 . A A . 5 ALA H 1 1 14 2019 1 1 5 ALA HA H -2.720 0.771 0.205 1.00 . A A . 5 ALA HA 1 1 14 2020 1 1 5 ALA HB1 H -3.044 2.807 -1.056 1.00 . A A . 5 ALA HB1 1 1 14 2021 1 1 5 ALA HB2 H -2.629 1.491 -2.182 1.00 . A A . 5 ALA HB2 1 1 14 2022 1 1 5 ALA HB3 H -1.400 2.697 -1.727 1.00 . A A . 5 ALA HB3 1 1 14 2023 1 1 5 ALA N N -1.233 2.073 0.845 1.00 . A A . 5 ALA N 1 1 14 2024 1 1 5 ALA O O -1.284 -0.878 -1.163 1.00 . A A . 5 ALA O 1 1 14 2025 1 1 6 VAL C C 1.571 -1.667 0.093 1.00 . A A . 6 VAL C 1 1 14 2026 1 1 6 VAL CA C 1.456 -0.529 -0.913 1.00 . A A . 6 VAL CA 1 1 14 2027 1 1 6 VAL CB C 2.827 0.153 -1.064 1.00 . A A . 6 VAL CB 1 1 14 2028 1 1 6 VAL CG1 C 3.881 -0.857 -1.490 1.00 . A A . 6 VAL CG1 1 1 14 2029 1 1 6 VAL CG2 C 2.746 1.301 -2.059 1.00 . A A . 6 VAL CG2 1 1 14 2030 1 1 6 VAL H H 0.712 1.313 -0.091 1.00 . A A . 6 VAL H 1 1 14 2031 1 1 6 VAL HA H 1.185 -0.932 -1.875 1.00 . A A . 6 VAL HA 1 1 14 2032 1 1 6 VAL HB H 3.112 0.554 -0.088 1.00 . A A . 6 VAL HB 1 1 14 2033 1 1 6 VAL HG11 H 3.499 -1.444 -2.324 1.00 . A A . 6 VAL HG11 1 1 14 2034 1 1 6 VAL HG12 H 4.105 -1.513 -0.654 1.00 . A A . 6 VAL HG12 1 1 14 2035 1 1 6 VAL HG13 H 4.789 -0.337 -1.795 1.00 . A A . 6 VAL HG13 1 1 14 2036 1 1 6 VAL HG21 H 3.447 2.089 -1.778 1.00 . A A . 6 VAL HG21 1 1 14 2037 1 1 6 VAL HG22 H 1.741 1.709 -2.087 1.00 . A A . 6 VAL HG22 1 1 14 2038 1 1 6 VAL HG23 H 3.002 0.937 -3.057 1.00 . A A . 6 VAL HG23 1 1 14 2039 1 1 6 VAL N N 0.429 0.426 -0.509 1.00 . A A . 6 VAL N 1 1 14 2040 1 1 6 VAL O O 2.002 -2.769 -0.248 1.00 . A A . 6 VAL O 1 1 14 2041 1 1 7 GLY C C 0.384 -3.608 2.071 1.00 . A A . 7 GLY C 1 1 14 2042 1 1 7 GLY CA C 1.257 -2.406 2.374 1.00 . A A . 7 GLY CA 1 1 14 2043 1 1 7 GLY H H 0.839 -0.464 1.563 1.00 . A A . 7 GLY H 1 1 14 2044 1 1 7 GLY HA2 H 2.291 -2.737 2.475 1.00 . A A . 7 GLY HA2 1 1 14 2045 1 1 7 GLY HA3 H 0.934 -1.965 3.316 1.00 . A A . 7 GLY HA3 1 1 14 2046 1 1 7 GLY N N 1.187 -1.395 1.336 1.00 . A A . 7 GLY N 1 1 14 2047 1 1 7 GLY O O 0.696 -4.729 2.474 1.00 . A A . 7 GLY O 1 1 14 2048 1 1 8 HIS C C -1.298 -5.024 -0.367 1.00 . A A . 8 HIS C 1 1 14 2049 1 1 8 HIS CA C -1.637 -4.449 1.004 1.00 . A A . 8 HIS CA 1 1 14 2050 1 1 8 HIS CB C -3.076 -3.937 1.015 1.00 . A A . 8 HIS CB 1 1 14 2051 1 1 8 HIS CD2 C -3.979 -6.302 1.594 1.00 . A A . 8 HIS CD2 1 1 14 2052 1 1 8 HIS CE1 C -6.067 -5.974 1.029 1.00 . A A . 8 HIS CE1 1 1 14 2053 1 1 8 HIS CG C -4.109 -5.022 1.145 1.00 . A A . 8 HIS CG 1 1 14 2054 1 1 8 HIS H H -0.921 -2.423 1.056 1.00 . A A . 8 HIS H 1 1 14 2055 1 1 8 HIS HA H -1.547 -5.240 1.743 1.00 . A A . 8 HIS HA 1 1 14 2056 1 1 8 HIS HB2 H -3.191 -3.255 1.857 1.00 . A A . 8 HIS HB2 1 1 14 2057 1 1 8 HIS HB3 H -3.261 -3.386 0.091 1.00 . A A . 8 HIS HB3 1 1 14 2058 1 1 8 HIS HD1 H -5.848 -3.976 0.423 1.00 . A A . 8 HIS HD1 1 1 14 2059 1 1 8 HIS HD2 H -3.184 -6.670 2.220 1.00 . A A . 8 HIS HD2 1 1 14 2060 1 1 8 HIS HE1 H -7.120 -6.135 0.853 1.00 . A A . 8 HIS HE1 1 1 14 2061 1 1 8 HIS N N -0.715 -3.375 1.359 1.00 . A A . 8 HIS N 1 1 14 2062 1 1 8 HIS ND1 N -5.435 -4.833 0.793 1.00 . A A . 8 HIS ND1 1 1 14 2063 1 1 8 HIS NE2 N -5.228 -6.890 1.514 1.00 . A A . 8 HIS NE2 1 1 14 2064 1 1 8 HIS O O -1.596 -6.183 -0.657 1.00 . A A . 8 HIS O 1 1 14 2065 1 1 9 LEU C C 0.982 -5.462 -2.519 1.00 . A A . 9 LEU C 1 1 14 2066 1 1 9 LEU CA C -0.297 -4.633 -2.552 1.00 . A A . 9 LEU CA 1 1 14 2067 1 1 9 LEU CB C -0.108 -3.417 -3.461 1.00 . A A . 9 LEU CB 1 1 14 2068 1 1 9 LEU CD1 C -1.052 -1.345 -4.508 1.00 . A A . 9 LEU CD1 1 1 14 2069 1 1 9 LEU CD2 C -2.179 -3.549 -4.867 1.00 . A A . 9 LEU CD2 1 1 14 2070 1 1 9 LEU CG C -1.385 -2.695 -3.890 1.00 . A A . 9 LEU CG 1 1 14 2071 1 1 9 LEU H H -0.458 -3.255 -0.910 1.00 . A A . 9 LEU H 1 1 14 2072 1 1 9 LEU HA H -1.093 -5.249 -2.963 1.00 . A A . 9 LEU HA 1 1 14 2073 1 1 9 LEU HB2 H 0.527 -2.720 -2.945 1.00 . A A . 9 LEU HB2 1 1 14 2074 1 1 9 LEU HB3 H 0.411 -3.742 -4.366 1.00 . A A . 9 LEU HB3 1 1 14 2075 1 1 9 LEU HD11 H -0.463 -1.502 -5.412 1.00 . A A . 9 LEU HD11 1 1 14 2076 1 1 9 LEU HD12 H -0.478 -0.747 -3.801 1.00 . A A . 9 LEU HD12 1 1 14 2077 1 1 9 LEU HD13 H -1.974 -0.822 -4.764 1.00 . A A . 9 LEU HD13 1 1 14 2078 1 1 9 LEU HD21 H -2.705 -4.341 -4.336 1.00 . A A . 9 LEU HD21 1 1 14 2079 1 1 9 LEU HD22 H -1.508 -3.990 -5.604 1.00 . A A . 9 LEU HD22 1 1 14 2080 1 1 9 LEU HD23 H -2.911 -2.924 -5.381 1.00 . A A . 9 LEU HD23 1 1 14 2081 1 1 9 LEU HG H -1.991 -2.527 -2.998 1.00 . A A . 9 LEU HG 1 1 14 2082 1 1 9 LEU N N -0.676 -4.206 -1.209 1.00 . A A . 9 LEU N 1 1 14 2083 1 1 9 LEU O O 1.204 -6.314 -3.379 1.00 . A A . 9 LEU O 1 1 14 2084 1 1 10 MET C C 2.840 -7.316 -0.775 1.00 . A A . 10 MET C 1 1 14 2085 1 1 10 MET CA C 3.077 -5.933 -1.372 1.00 . A A . 10 MET CA 1 1 14 2086 1 1 10 MET CB C 4.047 -5.144 -0.491 1.00 . A A . 10 MET CB 1 1 14 2087 1 1 10 MET CE C 6.930 -3.672 -3.118 1.00 . A A . 10 MET CE 1 1 14 2088 1 1 10 MET CG C 4.929 -4.181 -1.269 1.00 . A A . 10 MET CG 1 1 14 2089 1 1 10 MET H H 1.581 -4.488 -0.837 1.00 . A A . 10 MET H 1 1 14 2090 1 1 10 MET HA H 3.527 -6.059 -2.359 1.00 . A A . 10 MET HA 1 1 14 2091 1 1 10 MET HB2 H 3.467 -4.579 0.239 1.00 . A A . 10 MET HB2 1 1 14 2092 1 1 10 MET HB3 H 4.702 -5.837 0.046 1.00 . A A . 10 MET HB3 1 1 14 2093 1 1 10 MET HE1 H 7.936 -3.917 -3.458 1.00 . A A . 10 MET HE1 1 1 14 2094 1 1 10 MET HE2 H 6.961 -2.764 -2.516 1.00 . A A . 10 MET HE2 1 1 14 2095 1 1 10 MET HE3 H 6.284 -3.513 -3.982 1.00 . A A . 10 MET HE3 1 1 14 2096 1 1 10 MET HG2 H 4.317 -3.665 -2.006 1.00 . A A . 10 MET HG2 1 1 14 2097 1 1 10 MET HG3 H 5.356 -3.451 -0.582 1.00 . A A . 10 MET HG3 1 1 14 2098 1 1 10 MET N N 1.821 -5.207 -1.519 1.00 . A A . 10 MET N 1 1 14 2099 1 1 10 MET O O 3.787 -8.082 -0.697 1.00 . A A . 10 MET O 1 1 14 2100 1 1 10 MET SD S 6.280 -5.013 -2.125 1.00 . A A . 10 MET SD 1 1 15 2101 1 1 1 GLY C C 2.594 8.341 -0.245 1.00 . A A . 1 GLY C 1 1 15 2102 1 1 1 GLY CA C 3.360 9.633 -0.447 1.00 . A A . 1 GLY CA 1 1 15 2103 1 1 1 GLY H1 H 4.387 9.754 1.320 1.00 . A A . 1 GLY H1 1 1 15 2104 1 1 1 GLY H2 H 5.168 10.485 0.000 1.00 . A A . 1 GLY H2 1 1 15 2105 1 1 1 GLY H3 H 5.132 8.792 0.140 1.00 . A A . 1 GLY H3 1 1 15 2106 1 1 1 GLY HA2 H 2.733 10.467 -0.132 1.00 . A A . 1 GLY HA2 1 1 15 2107 1 1 1 GLY HA3 H 3.588 9.744 -1.507 1.00 . A A . 1 GLY HA3 1 1 15 2108 1 1 1 GLY N N 4.600 9.668 0.306 1.00 . A A . 1 GLY N 1 1 15 2109 1 1 1 GLY O O 2.514 7.829 0.870 1.00 . A A . 1 GLY O 1 1 15 2110 1 1 2 ASN C C 2.120 5.433 -0.724 1.00 . A A . 2 ASN C 1 1 15 2111 1 1 2 ASN CA C 1.262 6.576 -1.260 1.00 . A A . 2 ASN CA 1 1 15 2112 1 1 2 ASN CB C 0.719 6.214 -2.643 1.00 . A A . 2 ASN CB 1 1 15 2113 1 1 2 ASN CG C -0.443 5.241 -2.573 1.00 . A A . 2 ASN CG 1 1 15 2114 1 1 2 ASN H H 2.128 8.291 -2.221 1.00 . A A . 2 ASN H 1 1 15 2115 1 1 2 ASN HA H 0.419 6.724 -0.586 1.00 . A A . 2 ASN HA 1 1 15 2116 1 1 2 ASN HB2 H 0.376 7.127 -3.129 1.00 . A A . 2 ASN HB2 1 1 15 2117 1 1 2 ASN HB3 H 1.521 5.777 -3.239 1.00 . A A . 2 ASN HB3 1 1 15 2118 1 1 2 ASN HD21 H 0.280 4.201 -4.178 1.00 . A A . 2 ASN HD21 1 1 15 2119 1 1 2 ASN HD22 H -1.216 3.587 -3.466 1.00 . A A . 2 ASN HD22 1 1 15 2120 1 1 2 ASN N N 2.028 7.815 -1.325 1.00 . A A . 2 ASN N 1 1 15 2121 1 1 2 ASN ND2 N -0.457 4.269 -3.477 1.00 . A A . 2 ASN ND2 1 1 15 2122 1 1 2 ASN O O 3.023 4.948 -1.406 1.00 . A A . 2 ASN O 1 1 15 2123 1 1 2 ASN OD1 O -1.317 5.363 -1.715 1.00 . A A . 2 ASN OD1 1 1 15 2124 1 1 3 HIS C C 1.627 2.898 1.745 1.00 . A A . 3 HIS C 1 1 15 2125 1 1 3 HIS CA C 2.577 3.923 1.130 1.00 . A A . 3 HIS CA 1 1 15 2126 1 1 3 HIS CB C 3.518 4.474 2.201 1.00 . A A . 3 HIS CB 1 1 15 2127 1 1 3 HIS CD2 C 5.725 3.113 2.061 1.00 . A A . 3 HIS CD2 1 1 15 2128 1 1 3 HIS CE1 C 5.516 2.008 3.939 1.00 . A A . 3 HIS CE1 1 1 15 2129 1 1 3 HIS CG C 4.558 3.488 2.656 1.00 . A A . 3 HIS CG 1 1 15 2130 1 1 3 HIS H H 1.071 5.451 1.018 1.00 . A A . 3 HIS H 1 1 15 2131 1 1 3 HIS HA H 3.187 3.413 0.381 1.00 . A A . 3 HIS HA 1 1 15 2132 1 1 3 HIS HB2 H 4.021 5.353 1.803 1.00 . A A . 3 HIS HB2 1 1 15 2133 1 1 3 HIS HB3 H 2.920 4.771 3.063 1.00 . A A . 3 HIS HB3 1 1 15 2134 1 1 3 HIS HD1 H 3.679 2.841 4.513 1.00 . A A . 3 HIS HD1 1 1 15 2135 1 1 3 HIS HD2 H 6.206 3.623 1.240 1.00 . A A . 3 HIS HD2 1 1 15 2136 1 1 3 HIS HE1 H 5.712 1.335 4.761 1.00 . A A . 3 HIS HE1 1 1 15 2137 1 1 3 HIS N N 1.832 5.009 0.503 1.00 . A A . 3 HIS N 1 1 15 2138 1 1 3 HIS ND1 N 4.443 2.780 3.841 1.00 . A A . 3 HIS ND1 1 1 15 2139 1 1 3 HIS NE2 N 6.319 2.176 2.885 1.00 . A A . 3 HIS NE2 1 1 15 2140 1 1 3 HIS O O 1.830 1.692 1.609 1.00 . A A . 3 HIS O 1 1 15 2141 1 1 4 TRP C C -0.952 1.512 2.057 1.00 . A A . 4 TRP C 1 1 15 2142 1 1 4 TRP CA C -0.384 2.514 3.057 1.00 . A A . 4 TRP CA 1 1 15 2143 1 1 4 TRP CB C -1.518 3.341 3.667 1.00 . A A . 4 TRP CB 1 1 15 2144 1 1 4 TRP CD1 C -1.968 2.995 6.167 1.00 . A A . 4 TRP CD1 1 1 15 2145 1 1 4 TRP CD2 C -3.102 1.605 4.825 1.00 . A A . 4 TRP CD2 1 1 15 2146 1 1 4 TRP CE2 C -3.436 1.313 6.162 1.00 . A A . 4 TRP CE2 1 1 15 2147 1 1 4 TRP CE3 C -3.693 0.858 3.804 1.00 . A A . 4 TRP CE3 1 1 15 2148 1 1 4 TRP CG C -2.161 2.685 4.851 1.00 . A A . 4 TRP CG 1 1 15 2149 1 1 4 TRP CH2 C -4.900 -0.411 5.480 1.00 . A A . 4 TRP CH2 1 1 15 2150 1 1 4 TRP CZ2 C -4.335 0.305 6.500 1.00 . A A . 4 TRP CZ2 1 1 15 2151 1 1 4 TRP CZ3 C -4.586 -0.142 4.141 1.00 . A A . 4 TRP CZ3 1 1 15 2152 1 1 4 TRP H H 0.484 4.398 2.499 1.00 . A A . 4 TRP H 1 1 15 2153 1 1 4 TRP HA H 0.117 1.963 3.855 1.00 . A A . 4 TRP HA 1 1 15 2154 1 1 4 TRP HB2 H -1.105 4.295 3.994 1.00 . A A . 4 TRP HB2 1 1 15 2155 1 1 4 TRP HB3 H -2.279 3.534 2.907 1.00 . A A . 4 TRP HB3 1 1 15 2156 1 1 4 TRP HD1 H -1.311 3.772 6.530 1.00 . A A . 4 TRP HD1 1 1 15 2157 1 1 4 TRP HE1 H -2.774 2.192 7.980 1.00 . A A . 4 TRP HE1 1 1 15 2158 1 1 4 TRP HE3 H -3.455 1.062 2.771 1.00 . A A . 4 TRP HE3 1 1 15 2159 1 1 4 TRP HH2 H -5.602 -1.198 5.714 1.00 . A A . 4 TRP HH2 1 1 15 2160 1 1 4 TRP HZ2 H -4.579 0.095 7.531 1.00 . A A . 4 TRP HZ2 1 1 15 2161 1 1 4 TRP HZ3 H -5.046 -0.721 3.355 1.00 . A A . 4 TRP HZ3 1 1 15 2162 1 1 4 TRP N N 0.595 3.387 2.421 1.00 . A A . 4 TRP N 1 1 15 2163 1 1 4 TRP NE1 N -2.731 2.174 6.961 1.00 . A A . 4 TRP NE1 1 1 15 2164 1 1 4 TRP O O -1.118 0.334 2.371 1.00 . A A . 4 TRP O 1 1 15 2165 1 1 5 ALA C C -0.820 0.018 -0.556 1.00 . A A . 5 ALA C 1 1 15 2166 1 1 5 ALA CA C -1.794 1.135 -0.195 1.00 . A A . 5 ALA CA 1 1 15 2167 1 1 5 ALA CB C -2.134 1.960 -1.426 1.00 . A A . 5 ALA CB 1 1 15 2168 1 1 5 ALA H H -1.087 2.977 0.655 1.00 . A A . 5 ALA H 1 1 15 2169 1 1 5 ALA HA H -2.714 0.682 0.178 1.00 . A A . 5 ALA HA 1 1 15 2170 1 1 5 ALA HB1 H -2.632 1.330 -2.162 1.00 . A A . 5 ALA HB1 1 1 15 2171 1 1 5 ALA HB2 H -1.216 2.364 -1.853 1.00 . A A . 5 ALA HB2 1 1 15 2172 1 1 5 ALA HB3 H -2.794 2.780 -1.144 1.00 . A A . 5 ALA HB3 1 1 15 2173 1 1 5 ALA N N -1.248 1.989 0.852 1.00 . A A . 5 ALA N 1 1 15 2174 1 1 5 ALA O O -1.227 -1.119 -0.799 1.00 . A A . 5 ALA O 1 1 15 2175 1 1 6 VAL C C 1.553 -1.741 0.114 1.00 . A A . 6 VAL C 1 1 15 2176 1 1 6 VAL CA C 1.500 -0.626 -0.924 1.00 . A A . 6 VAL CA 1 1 15 2177 1 1 6 VAL CB C 2.885 0.038 -1.024 1.00 . A A . 6 VAL CB 1 1 15 2178 1 1 6 VAL CG1 C 3.938 -0.985 -1.427 1.00 . A A . 6 VAL CG1 1 1 15 2179 1 1 6 VAL CG2 C 2.851 1.196 -2.009 1.00 . A A . 6 VAL CG2 1 1 15 2180 1 1 6 VAL H H 0.739 1.309 -0.379 1.00 . A A . 6 VAL H 1 1 15 2181 1 1 6 VAL HA H 1.273 -1.053 -1.888 1.00 . A A . 6 VAL HA 1 1 15 2182 1 1 6 VAL HB H 3.147 0.428 -0.039 1.00 . A A . 6 VAL HB 1 1 15 2183 1 1 6 VAL HG11 H 3.589 -1.524 -2.306 1.00 . A A . 6 VAL HG11 1 1 15 2184 1 1 6 VAL HG12 H 4.104 -1.688 -0.611 1.00 . A A . 6 VAL HG12 1 1 15 2185 1 1 6 VAL HG13 H 4.872 -0.475 -1.662 1.00 . A A . 6 VAL HG13 1 1 15 2186 1 1 6 VAL HG21 H 3.806 1.722 -1.990 1.00 . A A . 6 VAL HG21 1 1 15 2187 1 1 6 VAL HG22 H 2.050 1.885 -1.739 1.00 . A A . 6 VAL HG22 1 1 15 2188 1 1 6 VAL HG23 H 2.671 0.805 -3.011 1.00 . A A . 6 VAL HG23 1 1 15 2189 1 1 6 VAL N N 0.466 0.350 -0.591 1.00 . A A . 6 VAL N 1 1 15 2190 1 1 6 VAL O O 1.881 -2.883 -0.205 1.00 . A A . 6 VAL O 1 1 15 2191 1 1 7 GLY C C 0.313 -3.546 2.160 1.00 . A A . 7 GLY C 1 1 15 2192 1 1 7 GLY CA C 1.252 -2.384 2.425 1.00 . A A . 7 GLY CA 1 1 15 2193 1 1 7 GLY H H 0.970 -0.438 1.565 1.00 . A A . 7 GLY H 1 1 15 2194 1 1 7 GLY HA2 H 2.267 -2.768 2.533 1.00 . A A . 7 GLY HA2 1 1 15 2195 1 1 7 GLY HA3 H 0.957 -1.897 3.355 1.00 . A A . 7 GLY HA3 1 1 15 2196 1 1 7 GLY N N 1.232 -1.402 1.358 1.00 . A A . 7 GLY N 1 1 15 2197 1 1 7 GLY O O 0.483 -4.632 2.717 1.00 . A A . 7 GLY O 1 1 15 2198 1 1 8 HIS C C -1.441 -4.853 -0.454 1.00 . A A . 8 HIS C 1 1 15 2199 1 1 8 HIS CA C -1.653 -4.353 0.972 1.00 . A A . 8 HIS CA 1 1 15 2200 1 1 8 HIS CB C -3.079 -3.819 1.132 1.00 . A A . 8 HIS CB 1 1 15 2201 1 1 8 HIS CD2 C -4.741 -4.039 3.115 1.00 . A A . 8 HIS CD2 1 1 15 2202 1 1 8 HIS CE1 C -3.392 -3.386 4.711 1.00 . A A . 8 HIS CE1 1 1 15 2203 1 1 8 HIS CG C -3.530 -3.746 2.564 1.00 . A A . 8 HIS CG 1 1 15 2204 1 1 8 HIS H H -0.774 -2.396 0.883 1.00 . A A . 8 HIS H 1 1 15 2205 1 1 8 HIS HA H -1.538 -5.203 1.651 1.00 . A A . 8 HIS HA 1 1 15 2206 1 1 8 HIS HB2 H -3.118 -2.816 0.710 1.00 . A A . 8 HIS HB2 1 1 15 2207 1 1 8 HIS HB3 H -3.771 -4.461 0.580 1.00 . A A . 8 HIS HB3 1 1 15 2208 1 1 8 HIS HD1 H -1.717 -3.049 3.497 1.00 . A A . 8 HIS HD1 1 1 15 2209 1 1 8 HIS HD2 H -5.540 -4.580 2.630 1.00 . A A . 8 HIS HD2 1 1 15 2210 1 1 8 HIS HE1 H -3.006 -3.122 5.684 1.00 . A A . 8 HIS HE1 1 1 15 2211 1 1 8 HIS N N -0.683 -3.318 1.309 1.00 . A A . 8 HIS N 1 1 15 2212 1 1 8 HIS ND1 N -2.691 -3.335 3.588 1.00 . A A . 8 HIS ND1 1 1 15 2213 1 1 8 HIS NE2 N -4.638 -3.806 4.473 1.00 . A A . 8 HIS NE2 1 1 15 2214 1 1 8 HIS O O -1.714 -6.014 -0.763 1.00 . A A . 8 HIS O 1 1 15 2215 1 1 9 LEU C C 0.606 -5.083 -2.858 1.00 . A A . 9 LEU C 1 1 15 2216 1 1 9 LEU CA C -0.708 -4.321 -2.713 1.00 . A A . 9 LEU CA 1 1 15 2217 1 1 9 LEU CB C -0.677 -3.061 -3.579 1.00 . A A . 9 LEU CB 1 1 15 2218 1 1 9 LEU CD1 C -1.785 -0.925 -4.283 1.00 . A A . 9 LEU CD1 1 1 15 2219 1 1 9 LEU CD2 C -2.929 -3.113 -4.679 1.00 . A A . 9 LEU CD2 1 1 15 2220 1 1 9 LEU CG C -2.010 -2.332 -3.752 1.00 . A A . 9 LEU CG 1 1 15 2221 1 1 9 LEU H H -0.752 -3.022 -1.002 1.00 . A A . 9 LEU H 1 1 15 2222 1 1 9 LEU HA H -1.516 -4.959 -3.063 1.00 . A A . 9 LEU HA 1 1 15 2223 1 1 9 LEU HB2 H 0.031 -2.378 -3.141 1.00 . A A . 9 LEU HB2 1 1 15 2224 1 1 9 LEU HB3 H -0.314 -3.337 -4.570 1.00 . A A . 9 LEU HB3 1 1 15 2225 1 1 9 LEU HD11 H -1.157 -0.364 -3.590 1.00 . A A . 9 LEU HD11 1 1 15 2226 1 1 9 LEU HD12 H -2.744 -0.420 -4.394 1.00 . A A . 9 LEU HD12 1 1 15 2227 1 1 9 LEU HD13 H -1.291 -0.985 -5.253 1.00 . A A . 9 LEU HD13 1 1 15 2228 1 1 9 LEU HD21 H -3.304 -4.003 -4.178 1.00 . A A . 9 LEU HD21 1 1 15 2229 1 1 9 LEU HD22 H -2.382 -3.402 -5.576 1.00 . A A . 9 LEU HD22 1 1 15 2230 1 1 9 LEU HD23 H -3.773 -2.482 -4.962 1.00 . A A . 9 LEU HD23 1 1 15 2231 1 1 9 LEU HG H -2.483 -2.260 -2.771 1.00 . A A . 9 LEU HG 1 1 15 2232 1 1 9 LEU N N -0.955 -3.970 -1.319 1.00 . A A . 9 LEU N 1 1 15 2233 1 1 9 LEU O O 0.621 -6.238 -3.283 1.00 . A A . 9 LEU O 1 1 15 2234 1 1 10 MET C C 3.314 -5.513 -4.009 1.00 . A A . 10 MET C 1 1 15 2235 1 1 10 MET CA C 3.024 -5.048 -2.586 1.00 . A A . 10 MET CA 1 1 15 2236 1 1 10 MET CB C 3.120 -6.232 -1.621 1.00 . A A . 10 MET CB 1 1 15 2237 1 1 10 MET CE C 4.701 -6.674 1.504 1.00 . A A . 10 MET CE 1 1 15 2238 1 1 10 MET CG C 2.662 -5.904 -0.209 1.00 . A A . 10 MET CG 1 1 15 2239 1 1 10 MET H H 1.625 -3.475 -2.151 1.00 . A A . 10 MET H 1 1 15 2240 1 1 10 MET HA H 3.775 -4.311 -2.299 1.00 . A A . 10 MET HA 1 1 15 2241 1 1 10 MET HB2 H 2.499 -7.041 -2.001 1.00 . A A . 10 MET HB2 1 1 15 2242 1 1 10 MET HB3 H 4.156 -6.569 -1.582 1.00 . A A . 10 MET HB3 1 1 15 2243 1 1 10 MET HE1 H 5.382 -6.687 0.653 1.00 . A A . 10 MET HE1 1 1 15 2244 1 1 10 MET HE2 H 5.074 -7.345 2.277 1.00 . A A . 10 MET HE2 1 1 15 2245 1 1 10 MET HE3 H 4.638 -5.662 1.903 1.00 . A A . 10 MET HE3 1 1 15 2246 1 1 10 MET HG2 H 3.152 -4.985 0.106 1.00 . A A . 10 MET HG2 1 1 15 2247 1 1 10 MET HG3 H 1.583 -5.747 -0.215 1.00 . A A . 10 MET HG3 1 1 15 2248 1 1 10 MET N N 1.706 -4.430 -2.498 1.00 . A A . 10 MET N 1 1 15 2249 1 1 10 MET O O 4.145 -4.896 -4.655 1.00 . A A . 10 MET O 1 1 15 2250 1 1 10 MET SD S 3.073 -7.202 0.973 1.00 . A A . 10 MET SD 1 1 16 2251 1 1 1 GLY C C 1.102 8.656 0.104 1.00 . A A . 1 GLY C 1 1 16 2252 1 1 1 GLY CA C 2.062 9.823 0.234 1.00 . A A . 1 GLY CA 1 1 16 2253 1 1 1 GLY H1 H 1.351 9.922 2.150 1.00 . A A . 1 GLY H1 1 1 16 2254 1 1 1 GLY H2 H 1.595 11.431 1.409 1.00 . A A . 1 GLY H2 1 1 16 2255 1 1 1 GLY H3 H 2.923 10.523 1.955 1.00 . A A . 1 GLY H3 1 1 16 2256 1 1 1 GLY HA2 H 1.836 10.555 -0.542 1.00 . A A . 1 GLY HA2 1 1 16 2257 1 1 1 GLY HA3 H 3.079 9.459 0.089 1.00 . A A . 1 GLY HA3 1 1 16 2258 1 1 1 GLY N N 1.977 10.471 1.529 1.00 . A A . 1 GLY N 1 1 16 2259 1 1 1 GLY O O 0.049 8.638 0.739 1.00 . A A . 1 GLY O 1 1 16 2260 1 1 2 ASN C C 1.379 5.230 -0.569 1.00 . A A . 2 ASN C 1 1 16 2261 1 1 2 ASN CA C 0.628 6.507 -0.936 1.00 . A A . 2 ASN CA 1 1 16 2262 1 1 2 ASN CB C 0.166 6.441 -2.392 1.00 . A A . 2 ASN CB 1 1 16 2263 1 1 2 ASN CG C -0.999 5.491 -2.587 1.00 . A A . 2 ASN CG 1 1 16 2264 1 1 2 ASN H H 2.352 7.755 -1.223 1.00 . A A . 2 ASN H 1 1 16 2265 1 1 2 ASN HA H -0.262 6.567 -0.304 1.00 . A A . 2 ASN HA 1 1 16 2266 1 1 2 ASN HB2 H -0.142 7.438 -2.704 1.00 . A A . 2 ASN HB2 1 1 16 2267 1 1 2 ASN HB3 H 1.002 6.117 -3.013 1.00 . A A . 2 ASN HB3 1 1 16 2268 1 1 2 ASN HD21 H -0.312 4.968 -4.442 1.00 . A A . 2 ASN HD21 1 1 16 2269 1 1 2 ASN HD22 H -1.799 4.173 -3.912 1.00 . A A . 2 ASN HD22 1 1 16 2270 1 1 2 ASN N N 1.465 7.681 -0.723 1.00 . A A . 2 ASN N 1 1 16 2271 1 1 2 ASN ND2 N -1.036 4.827 -3.737 1.00 . A A . 2 ASN ND2 1 1 16 2272 1 1 2 ASN O O 1.493 4.311 -1.380 1.00 . A A . 2 ASN O 1 1 16 2273 1 1 2 ASN OD1 O -1.858 5.356 -1.714 1.00 . A A . 2 ASN OD1 1 1 16 2274 1 1 3 HIS C C 1.685 2.995 1.763 1.00 . A A . 3 HIS C 1 1 16 2275 1 1 3 HIS CA C 2.627 4.015 1.132 1.00 . A A . 3 HIS CA 1 1 16 2276 1 1 3 HIS CB C 3.691 4.436 2.145 1.00 . A A . 3 HIS CB 1 1 16 2277 1 1 3 HIS CD2 C 5.022 2.252 2.591 1.00 . A A . 3 HIS CD2 1 1 16 2278 1 1 3 HIS CE1 C 6.971 2.934 1.861 1.00 . A A . 3 HIS CE1 1 1 16 2279 1 1 3 HIS CG C 4.898 3.539 2.163 1.00 . A A . 3 HIS CG 1 1 16 2280 1 1 3 HIS H H 1.755 5.972 1.285 1.00 . A A . 3 HIS H 1 1 16 2281 1 1 3 HIS HA H 3.128 3.544 0.282 1.00 . A A . 3 HIS HA 1 1 16 2282 1 1 3 HIS HB2 H 4.024 5.440 1.888 1.00 . A A . 3 HIS HB2 1 1 16 2283 1 1 3 HIS HB3 H 3.250 4.462 3.145 1.00 . A A . 3 HIS HB3 1 1 16 2284 1 1 3 HIS HD1 H 6.370 4.869 1.323 1.00 . A A . 3 HIS HD1 1 1 16 2285 1 1 3 HIS HD2 H 4.206 1.575 2.799 1.00 . A A . 3 HIS HD2 1 1 16 2286 1 1 3 HIS HE1 H 8.018 2.955 1.595 1.00 . A A . 3 HIS HE1 1 1 16 2287 1 1 3 HIS N N 1.888 5.180 0.657 1.00 . A A . 3 HIS N 1 1 16 2288 1 1 3 HIS ND1 N 6.139 3.953 1.706 1.00 . A A . 3 HIS ND1 1 1 16 2289 1 1 3 HIS NE2 N 6.341 1.883 2.393 1.00 . A A . 3 HIS NE2 1 1 16 2290 1 1 3 HIS O O 1.933 1.791 1.708 1.00 . A A . 3 HIS O 1 1 16 2291 1 1 4 TRP C C -0.885 1.558 2.029 1.00 . A A . 4 TRP C 1 1 16 2292 1 1 4 TRP CA C -0.373 2.614 3.004 1.00 . A A . 4 TRP CA 1 1 16 2293 1 1 4 TRP CB C -1.543 3.439 3.542 1.00 . A A . 4 TRP CB 1 1 16 2294 1 1 4 TRP CD1 C -2.167 3.150 6.011 1.00 . A A . 4 TRP CD1 1 1 16 2295 1 1 4 TRP CD2 C -3.131 1.666 4.639 1.00 . A A . 4 TRP CD2 1 1 16 2296 1 1 4 TRP CE2 C -3.552 1.400 5.956 1.00 . A A . 4 TRP CE2 1 1 16 2297 1 1 4 TRP CE3 C -3.609 0.859 3.602 1.00 . A A . 4 TRP CE3 1 1 16 2298 1 1 4 TRP CG C -2.245 2.790 4.697 1.00 . A A . 4 TRP CG 1 1 16 2299 1 1 4 TRP CH2 C -4.881 -0.412 5.228 1.00 . A A . 4 TRP CH2 1 1 16 2300 1 1 4 TRP CZ2 C -4.428 0.362 6.261 1.00 . A A . 4 TRP CZ2 1 1 16 2301 1 1 4 TRP CZ3 C -4.478 -0.171 3.908 1.00 . A A . 4 TRP CZ3 1 1 16 2302 1 1 4 TRP H H 0.457 4.493 2.373 1.00 . A A . 4 TRP H 1 1 16 2303 1 1 4 TRP HA H 0.113 2.109 3.839 1.00 . A A . 4 TRP HA 1 1 16 2304 1 1 4 TRP HB2 H -1.156 4.400 3.879 1.00 . A A . 4 TRP HB2 1 1 16 2305 1 1 4 TRP HB3 H -2.262 3.615 2.739 1.00 . A A . 4 TRP HB3 1 1 16 2306 1 1 4 TRP HD1 H -1.576 3.969 6.394 1.00 . A A . 4 TRP HD1 1 1 16 2307 1 1 4 TRP HE1 H -3.073 2.366 7.787 1.00 . A A . 4 TRP HE1 1 1 16 2308 1 1 4 TRP HE3 H -3.317 1.041 2.583 1.00 . A A . 4 TRP HE3 1 1 16 2309 1 1 4 TRP HH2 H -5.561 -1.223 5.438 1.00 . A A . 4 TRP HH2 1 1 16 2310 1 1 4 TRP HZ2 H -4.739 0.172 7.278 1.00 . A A . 4 TRP HZ2 1 1 16 2311 1 1 4 TRP HZ3 H -4.851 -0.797 3.111 1.00 . A A . 4 TRP HZ3 1 1 16 2312 1 1 4 TRP N N 0.605 3.484 2.361 1.00 . A A . 4 TRP N 1 1 16 2313 1 1 4 TRP NE1 N -2.951 2.318 6.775 1.00 . A A . 4 TRP NE1 1 1 16 2314 1 1 4 TRP O O -0.926 0.371 2.351 1.00 . A A . 4 TRP O 1 1 16 2315 1 1 5 ALA C C -0.766 -0.002 -0.500 1.00 . A A . 5 ALA C 1 1 16 2316 1 1 5 ALA CA C -1.782 1.090 -0.184 1.00 . A A . 5 ALA CA 1 1 16 2317 1 1 5 ALA CB C -2.141 1.862 -1.445 1.00 . A A . 5 ALA CB 1 1 16 2318 1 1 5 ALA H H -1.218 2.996 0.631 1.00 . A A . 5 ALA H 1 1 16 2319 1 1 5 ALA HA H -2.666 0.626 0.223 1.00 . A A . 5 ALA HA 1 1 16 2320 1 1 5 ALA HB1 H -1.325 1.834 -2.167 1.00 . A A . 5 ALA HB1 1 1 16 2321 1 1 5 ALA HB2 H -2.334 2.900 -1.173 1.00 . A A . 5 ALA HB2 1 1 16 2322 1 1 5 ALA HB3 H -3.043 1.443 -1.892 1.00 . A A . 5 ALA HB3 1 1 16 2323 1 1 5 ALA N N -1.275 1.998 0.837 1.00 . A A . 5 ALA N 1 1 16 2324 1 1 5 ALA O O -1.119 -1.175 -0.624 1.00 . A A . 5 ALA O 1 1 16 2325 1 1 6 VAL C C 1.605 -1.683 0.093 1.00 . A A . 6 VAL C 1 1 16 2326 1 1 6 VAL CA C 1.566 -0.556 -0.932 1.00 . A A . 6 VAL CA 1 1 16 2327 1 1 6 VAL CB C 2.937 0.141 -0.969 1.00 . A A . 6 VAL CB 1 1 16 2328 1 1 6 VAL CG1 C 4.032 -0.854 -1.325 1.00 . A A . 6 VAL CG1 1 1 16 2329 1 1 6 VAL CG2 C 2.921 1.301 -1.953 1.00 . A A . 6 VAL CG2 1 1 16 2330 1 1 6 VAL H H 0.724 1.379 -0.517 1.00 . A A . 6 VAL H 1 1 16 2331 1 1 6 VAL HA H 1.397 -0.966 -1.909 1.00 . A A . 6 VAL HA 1 1 16 2332 1 1 6 VAL HB H 3.147 0.535 0.026 1.00 . A A . 6 VAL HB 1 1 16 2333 1 1 6 VAL HG11 H 4.991 -0.335 -1.336 1.00 . A A . 6 VAL HG11 1 1 16 2334 1 1 6 VAL HG12 H 3.830 -1.244 -2.319 1.00 . A A . 6 VAL HG12 1 1 16 2335 1 1 6 VAL HG13 H 4.076 -1.669 -0.606 1.00 . A A . 6 VAL HG13 1 1 16 2336 1 1 6 VAL HG21 H 2.673 0.920 -2.944 1.00 . A A . 6 VAL HG21 1 1 16 2337 1 1 6 VAL HG22 H 3.904 1.772 -1.982 1.00 . A A . 6 VAL HG22 1 1 16 2338 1 1 6 VAL HG23 H 2.176 2.034 -1.647 1.00 . A A . 6 VAL HG23 1 1 16 2339 1 1 6 VAL N N 0.497 0.391 -0.631 1.00 . A A . 6 VAL N 1 1 16 2340 1 1 6 VAL O O 2.073 -2.783 -0.197 1.00 . A A . 6 VAL O 1 1 16 2341 1 1 7 GLY C C 0.361 -3.661 1.941 1.00 . A A . 7 GLY C 1 1 16 2342 1 1 7 GLY CA C 1.101 -2.401 2.347 1.00 . A A . 7 GLY CA 1 1 16 2343 1 1 7 GLY H H 0.741 -0.469 1.481 1.00 . A A . 7 GLY H 1 1 16 2344 1 1 7 GLY HA2 H 2.129 -2.661 2.598 1.00 . A A . 7 GLY HA2 1 1 16 2345 1 1 7 GLY HA3 H 0.619 -1.979 3.229 1.00 . A A . 7 GLY HA3 1 1 16 2346 1 1 7 GLY N N 1.112 -1.401 1.295 1.00 . A A . 7 GLY N 1 1 16 2347 1 1 7 GLY O O 0.899 -4.764 2.035 1.00 . A A . 7 GLY O 1 1 16 2348 1 1 8 HIS C C -1.420 -4.987 -0.388 1.00 . A A . 8 HIS C 1 1 16 2349 1 1 8 HIS CA C -1.695 -4.630 1.070 1.00 . A A . 8 HIS CA 1 1 16 2350 1 1 8 HIS CB C -3.180 -4.314 1.256 1.00 . A A . 8 HIS CB 1 1 16 2351 1 1 8 HIS CD2 C -4.360 -3.527 -0.919 1.00 . A A . 8 HIS CD2 1 1 16 2352 1 1 8 HIS CE1 C -4.165 -1.369 -0.603 1.00 . A A . 8 HIS CE1 1 1 16 2353 1 1 8 HIS CG C -3.713 -3.320 0.262 1.00 . A A . 8 HIS CG 1 1 16 2354 1 1 8 HIS H H -1.269 -2.555 1.439 1.00 . A A . 8 HIS H 1 1 16 2355 1 1 8 HIS HA H -1.444 -5.495 1.687 1.00 . A A . 8 HIS HA 1 1 16 2356 1 1 8 HIS HB2 H -3.750 -5.237 1.163 1.00 . A A . 8 HIS HB2 1 1 16 2357 1 1 8 HIS HB3 H -3.324 -3.913 2.260 1.00 . A A . 8 HIS HB3 1 1 16 2358 1 1 8 HIS HD1 H -3.160 -1.477 1.233 1.00 . A A . 8 HIS HD1 1 1 16 2359 1 1 8 HIS HD2 H -4.794 -4.462 -1.242 1.00 . A A . 8 HIS HD2 1 1 16 2360 1 1 8 HIS HE1 H -4.303 -0.312 -0.731 1.00 . A A . 8 HIS HE1 1 1 16 2361 1 1 8 HIS N N -0.878 -3.497 1.490 1.00 . A A . 8 HIS N 1 1 16 2362 1 1 8 HIS ND1 N -3.598 -1.952 0.445 1.00 . A A . 8 HIS ND1 1 1 16 2363 1 1 8 HIS NE2 N -4.640 -2.283 -1.454 1.00 . A A . 8 HIS NE2 1 1 16 2364 1 1 8 HIS O O -1.494 -6.153 -0.778 1.00 . A A . 8 HIS O 1 1 16 2365 1 1 9 LEU C C 0.427 -5.046 -2.789 1.00 . A A . 9 LEU C 1 1 16 2366 1 1 9 LEU CA C -0.818 -4.183 -2.606 1.00 . A A . 9 LEU CA 1 1 16 2367 1 1 9 LEU CB C -0.629 -2.838 -3.310 1.00 . A A . 9 LEU CB 1 1 16 2368 1 1 9 LEU CD1 C -1.462 -0.509 -3.711 1.00 . A A . 9 LEU CD1 1 1 16 2369 1 1 9 LEU CD2 C -2.850 -2.468 -4.410 1.00 . A A . 9 LEU CD2 1 1 16 2370 1 1 9 LEU CG C -1.863 -1.939 -3.381 1.00 . A A . 9 LEU CG 1 1 16 2371 1 1 9 LEU H H -1.061 -3.032 -0.807 1.00 . A A . 9 LEU H 1 1 16 2372 1 1 9 LEU HA H -1.663 -4.697 -3.059 1.00 . A A . 9 LEU HA 1 1 16 2373 1 1 9 LEU HB2 H 0.152 -2.324 -2.797 1.00 . A A . 9 LEU HB2 1 1 16 2374 1 1 9 LEU HB3 H -0.293 -3.035 -4.329 1.00 . A A . 9 LEU HB3 1 1 16 2375 1 1 9 LEU HD11 H -0.659 -0.180 -3.063 1.00 . A A . 9 LEU HD11 1 1 16 2376 1 1 9 LEU HD12 H -2.319 0.145 -3.601 1.00 . A A . 9 LEU HD12 1 1 16 2377 1 1 9 LEU HD13 H -1.122 -0.478 -4.746 1.00 . A A . 9 LEU HD13 1 1 16 2378 1 1 9 LEU HD21 H -2.330 -2.657 -5.349 1.00 . A A . 9 LEU HD21 1 1 16 2379 1 1 9 LEU HD22 H -3.629 -1.722 -4.575 1.00 . A A . 9 LEU HD22 1 1 16 2380 1 1 9 LEU HD23 H -3.307 -3.389 -4.056 1.00 . A A . 9 LEU HD23 1 1 16 2381 1 1 9 LEU HG H -2.346 -1.948 -2.408 1.00 . A A . 9 LEU HG 1 1 16 2382 1 1 9 LEU N N -1.104 -3.976 -1.190 1.00 . A A . 9 LEU N 1 1 16 2383 1 1 9 LEU O O 0.385 -6.076 -3.461 1.00 . A A . 9 LEU O 1 1 16 2384 1 1 10 MET C C 3.150 -5.984 -0.941 1.00 . A A . 10 MET C 1 1 16 2385 1 1 10 MET CA C 2.787 -5.354 -2.282 1.00 . A A . 10 MET CA 1 1 16 2386 1 1 10 MET CB C 3.913 -4.427 -2.744 1.00 . A A . 10 MET CB 1 1 16 2387 1 1 10 MET CE C 4.561 -4.693 -6.860 1.00 . A A . 10 MET CE 1 1 16 2388 1 1 10 MET CG C 3.879 -4.127 -4.235 1.00 . A A . 10 MET CG 1 1 16 2389 1 1 10 MET H H 1.503 -3.756 -1.645 1.00 . A A . 10 MET H 1 1 16 2390 1 1 10 MET HA H 2.691 -6.156 -3.018 1.00 . A A . 10 MET HA 1 1 16 2391 1 1 10 MET HB2 H 3.842 -3.504 -2.183 1.00 . A A . 10 MET HB2 1 1 16 2392 1 1 10 MET HB3 H 4.875 -4.898 -2.521 1.00 . A A . 10 MET HB3 1 1 16 2393 1 1 10 MET HE1 H 4.402 -3.616 -6.790 1.00 . A A . 10 MET HE1 1 1 16 2394 1 1 10 MET HE2 H 3.703 -5.156 -7.347 1.00 . A A . 10 MET HE2 1 1 16 2395 1 1 10 MET HE3 H 5.460 -4.891 -7.443 1.00 . A A . 10 MET HE3 1 1 16 2396 1 1 10 MET HG2 H 2.839 -4.098 -4.563 1.00 . A A . 10 MET HG2 1 1 16 2397 1 1 10 MET HG3 H 4.335 -3.151 -4.421 1.00 . A A . 10 MET HG3 1 1 16 2398 1 1 10 MET N N 1.532 -4.619 -2.187 1.00 . A A . 10 MET N 1 1 16 2399 1 1 10 MET O O 3.387 -5.235 -0.007 1.00 . A A . 10 MET O 1 1 16 2400 1 1 10 MET SD S 4.749 -5.368 -5.211 1.00 . A A . 10 MET SD 1 1 17 2401 1 1 1 GLY C C 1.833 8.696 -1.369 1.00 . A A . 1 GLY C 1 1 17 2402 1 1 1 GLY CA C 2.713 9.855 -1.793 1.00 . A A . 1 GLY CA 1 1 17 2403 1 1 1 GLY H1 H 2.607 11.571 -2.909 1.00 . A A . 1 GLY H1 1 1 17 2404 1 1 1 GLY H2 H 1.105 10.841 -2.587 1.00 . A A . 1 GLY H2 1 1 17 2405 1 1 1 GLY H3 H 2.154 10.163 -3.739 1.00 . A A . 1 GLY H3 1 1 17 2406 1 1 1 GLY HA2 H 3.657 9.460 -2.167 1.00 . A A . 1 GLY HA2 1 1 17 2407 1 1 1 GLY HA3 H 2.911 10.485 -0.926 1.00 . A A . 1 GLY HA3 1 1 17 2408 1 1 1 GLY N N 2.102 10.665 -2.830 1.00 . A A . 1 GLY N 1 1 17 2409 1 1 1 GLY O O 0.850 8.884 -0.653 1.00 . A A . 1 GLY O 1 1 17 2410 1 1 2 ASN C C 2.294 5.275 -0.757 1.00 . A A . 2 ASN C 1 1 17 2411 1 1 2 ASN CA C 1.419 6.299 -1.473 1.00 . A A . 2 ASN CA 1 1 17 2412 1 1 2 ASN CB C 0.820 5.679 -2.737 1.00 . A A . 2 ASN CB 1 1 17 2413 1 1 2 ASN CG C -0.430 6.401 -3.198 1.00 . A A . 2 ASN CG 1 1 17 2414 1 1 2 ASN H H 3.013 7.401 -2.401 1.00 . A A . 2 ASN H 1 1 17 2415 1 1 2 ASN HA H 0.596 6.561 -0.804 1.00 . A A . 2 ASN HA 1 1 17 2416 1 1 2 ASN HB2 H 1.563 5.732 -3.531 1.00 . A A . 2 ASN HB2 1 1 17 2417 1 1 2 ASN HB3 H 0.574 4.630 -2.551 1.00 . A A . 2 ASN HB3 1 1 17 2418 1 1 2 ASN HD21 H -1.397 4.622 -3.492 1.00 . A A . 2 ASN HD21 1 1 17 2419 1 1 2 ASN HD22 H -2.329 6.079 -3.850 1.00 . A A . 2 ASN HD22 1 1 17 2420 1 1 2 ASN N N 2.186 7.493 -1.811 1.00 . A A . 2 ASN N 1 1 17 2421 1 1 2 ASN ND2 N -1.463 5.639 -3.539 1.00 . A A . 2 ASN ND2 1 1 17 2422 1 1 2 ASN O O 3.292 4.804 -1.304 1.00 . A A . 2 ASN O 1 1 17 2423 1 1 2 ASN OD1 O -0.468 7.632 -3.248 1.00 . A A . 2 ASN OD1 1 1 17 2424 1 1 3 HIS C C 1.732 2.915 1.857 1.00 . A A . 3 HIS C 1 1 17 2425 1 1 3 HIS CA C 2.662 3.967 1.263 1.00 . A A . 3 HIS CA 1 1 17 2426 1 1 3 HIS CB C 3.433 4.674 2.379 1.00 . A A . 3 HIS CB 1 1 17 2427 1 1 3 HIS CD2 C 5.672 3.376 2.592 1.00 . A A . 3 HIS CD2 1 1 17 2428 1 1 3 HIS CE1 C 5.367 2.579 4.606 1.00 . A A . 3 HIS CE1 1 1 17 2429 1 1 3 HIS CG C 4.462 3.806 3.048 1.00 . A A . 3 HIS CG 1 1 17 2430 1 1 3 HIS H H 1.074 5.359 0.868 1.00 . A A . 3 HIS H 1 1 17 2431 1 1 3 HIS HA H 3.390 3.454 0.629 1.00 . A A . 3 HIS HA 1 1 17 2432 1 1 3 HIS HB2 H 3.932 5.548 1.961 1.00 . A A . 3 HIS HB2 1 1 17 2433 1 1 3 HIS HB3 H 2.716 5.006 3.132 1.00 . A A . 3 HIS HB3 1 1 17 2434 1 1 3 HIS HD1 H 3.478 3.433 4.928 1.00 . A A . 3 HIS HD1 1 1 17 2435 1 1 3 HIS HD2 H 6.012 3.421 1.568 1.00 . A A . 3 HIS HD2 1 1 17 2436 1 1 3 HIS HE1 H 5.523 2.052 5.536 1.00 . A A . 3 HIS HE1 1 1 17 2437 1 1 3 HIS N N 1.913 4.936 0.471 1.00 . A A . 3 HIS N 1 1 17 2438 1 1 3 HIS ND1 N 4.286 3.292 4.322 1.00 . A A . 3 HIS ND1 1 1 17 2439 1 1 3 HIS NE2 N 6.231 2.601 3.591 1.00 . A A . 3 HIS NE2 1 1 17 2440 1 1 3 HIS O O 2.027 1.721 1.822 1.00 . A A . 3 HIS O 1 1 17 2441 1 1 4 TRP C C -0.900 1.473 1.973 1.00 . A A . 4 TRP C 1 1 17 2442 1 1 4 TRP CA C -0.366 2.463 3.003 1.00 . A A . 4 TRP CA 1 1 17 2443 1 1 4 TRP CB C -1.523 3.258 3.611 1.00 . A A . 4 TRP CB 1 1 17 2444 1 1 4 TRP CD1 C -2.054 2.850 6.084 1.00 . A A . 4 TRP CD1 1 1 17 2445 1 1 4 TRP CD2 C -3.089 1.449 4.676 1.00 . A A . 4 TRP CD2 1 1 17 2446 1 1 4 TRP CE2 C -3.463 1.119 5.993 1.00 . A A . 4 TRP CE2 1 1 17 2447 1 1 4 TRP CE3 C -3.616 0.701 3.619 1.00 . A A . 4 TRP CE3 1 1 17 2448 1 1 4 TRP CG C -2.188 2.558 4.757 1.00 . A A . 4 TRP CG 1 1 17 2449 1 1 4 TRP CH2 C -4.841 -0.639 5.225 1.00 . A A . 4 TRP CH2 1 1 17 2450 1 1 4 TRP CZ2 C -4.340 0.075 6.279 1.00 . A A . 4 TRP CZ2 1 1 17 2451 1 1 4 TRP CZ3 C -4.486 -0.335 3.905 1.00 . A A . 4 TRP CZ3 1 1 17 2452 1 1 4 TRP H H 0.420 4.369 2.400 1.00 . A A . 4 TRP H 1 1 17 2453 1 1 4 TRP HA H 0.131 1.905 3.797 1.00 . A A . 4 TRP HA 1 1 17 2454 1 1 4 TRP HB2 H -1.129 4.205 3.977 1.00 . A A . 4 TRP HB2 1 1 17 2455 1 1 4 TRP HB3 H -2.267 3.466 2.838 1.00 . A A . 4 TRP HB3 1 1 17 2456 1 1 4 TRP HD1 H -1.439 3.642 6.486 1.00 . A A . 4 TRP HD1 1 1 17 2457 1 1 4 TRP HE1 H -2.902 1.984 7.850 1.00 . A A . 4 TRP HE1 1 1 17 2458 1 1 4 TRP HE3 H -3.355 0.932 2.600 1.00 . A A . 4 TRP HE3 1 1 17 2459 1 1 4 TRP HH2 H -5.523 -1.453 5.419 1.00 . A A . 4 TRP HH2 1 1 17 2460 1 1 4 TRP HZ2 H -4.615 -0.162 7.296 1.00 . A A . 4 TRP HZ2 1 1 17 2461 1 1 4 TRP HZ3 H -4.897 -0.915 3.092 1.00 . A A . 4 TRP HZ3 1 1 17 2462 1 1 4 TRP N N 0.607 3.366 2.401 1.00 . A A . 4 TRP N 1 1 17 2463 1 1 4 TRP NE1 N -2.819 1.987 6.833 1.00 . A A . 4 TRP NE1 1 1 17 2464 1 1 4 TRP O O -0.903 0.264 2.204 1.00 . A A . 4 TRP O 1 1 17 2465 1 1 5 ALA C C -0.870 0.100 -0.658 1.00 . A A . 5 ALA C 1 1 17 2466 1 1 5 ALA CA C -1.884 1.154 -0.229 1.00 . A A . 5 ALA CA 1 1 17 2467 1 1 5 ALA CB C -2.294 2.010 -1.420 1.00 . A A . 5 ALA CB 1 1 17 2468 1 1 5 ALA H H -1.323 3.006 0.706 1.00 . A A . 5 ALA H 1 1 17 2469 1 1 5 ALA HA H -2.770 0.646 0.148 1.00 . A A . 5 ALA HA 1 1 17 2470 1 1 5 ALA HB1 H -3.138 2.641 -1.143 1.00 . A A . 5 ALA HB1 1 1 17 2471 1 1 5 ALA HB2 H -2.579 1.364 -2.251 1.00 . A A . 5 ALA HB2 1 1 17 2472 1 1 5 ALA HB3 H -1.455 2.637 -1.720 1.00 . A A . 5 ALA HB3 1 1 17 2473 1 1 5 ALA N N -1.351 1.994 0.836 1.00 . A A . 5 ALA N 1 1 17 2474 1 1 5 ALA O O -1.239 -0.992 -1.088 1.00 . A A . 5 ALA O 1 1 17 2475 1 1 6 VAL C C 1.587 -1.636 0.079 1.00 . A A . 6 VAL C 1 1 17 2476 1 1 6 VAL CA C 1.481 -0.485 -0.913 1.00 . A A . 6 VAL CA 1 1 17 2477 1 1 6 VAL CB C 2.836 0.238 -0.996 1.00 . A A . 6 VAL CB 1 1 17 2478 1 1 6 VAL CG1 C 3.935 -0.734 -1.404 1.00 . A A . 6 VAL CG1 1 1 17 2479 1 1 6 VAL CG2 C 2.761 1.407 -1.966 1.00 . A A . 6 VAL CG2 1 1 17 2480 1 1 6 VAL H H 0.653 1.357 -0.174 1.00 . A A . 6 VAL H 1 1 17 2481 1 1 6 VAL HA H 1.257 -0.890 -1.885 1.00 . A A . 6 VAL HA 1 1 17 2482 1 1 6 VAL HB H 3.079 0.624 -0.006 1.00 . A A . 6 VAL HB 1 1 17 2483 1 1 6 VAL HG11 H 3.610 -1.286 -2.285 1.00 . A A . 6 VAL HG11 1 1 17 2484 1 1 6 VAL HG12 H 4.134 -1.430 -0.590 1.00 . A A . 6 VAL HG12 1 1 17 2485 1 1 6 VAL HG13 H 4.844 -0.179 -1.637 1.00 . A A . 6 VAL HG13 1 1 17 2486 1 1 6 VAL HG21 H 1.958 2.081 -1.668 1.00 . A A . 6 VAL HG21 1 1 17 2487 1 1 6 VAL HG22 H 2.562 1.026 -2.967 1.00 . A A . 6 VAL HG22 1 1 17 2488 1 1 6 VAL HG23 H 3.708 1.947 -1.964 1.00 . A A . 6 VAL HG23 1 1 17 2489 1 1 6 VAL N N 0.411 0.435 -0.539 1.00 . A A . 6 VAL N 1 1 17 2490 1 1 6 VAL O O 2.034 -2.728 -0.267 1.00 . A A . 6 VAL O 1 1 17 2491 1 1 7 GLY C C 0.311 -3.575 2.050 1.00 . A A . 7 GLY C 1 1 17 2492 1 1 7 GLY CA C 1.233 -2.408 2.344 1.00 . A A . 7 GLY CA 1 1 17 2493 1 1 7 GLY H H 0.814 -0.458 1.550 1.00 . A A . 7 GLY H 1 1 17 2494 1 1 7 GLY HA2 H 2.257 -2.776 2.419 1.00 . A A . 7 GLY HA2 1 1 17 2495 1 1 7 GLY HA3 H 0.947 -1.966 3.298 1.00 . A A . 7 GLY HA3 1 1 17 2496 1 1 7 GLY N N 1.175 -1.384 1.318 1.00 . A A . 7 GLY N 1 1 17 2497 1 1 7 GLY O O 0.577 -4.705 2.462 1.00 . A A . 7 GLY O 1 1 17 2498 1 1 8 HIS C C -1.250 -5.165 -0.196 1.00 . A A . 8 HIS C 1 1 17 2499 1 1 8 HIS CA C -1.742 -4.339 0.988 1.00 . A A . 8 HIS CA 1 1 17 2500 1 1 8 HIS CB C -3.100 -3.713 0.663 1.00 . A A . 8 HIS CB 1 1 17 2501 1 1 8 HIS CD2 C -5.202 -4.944 1.561 1.00 . A A . 8 HIS CD2 1 1 17 2502 1 1 8 HIS CE1 C -5.494 -6.309 -0.125 1.00 . A A . 8 HIS CE1 1 1 17 2503 1 1 8 HIS CG C -4.228 -4.708 0.639 1.00 . A A . 8 HIS CG 1 1 17 2504 1 1 8 HIS H H -0.942 -2.345 1.024 1.00 . A A . 8 HIS H 1 1 17 2505 1 1 8 HIS HA H -1.873 -5.001 1.845 1.00 . A A . 8 HIS HA 1 1 17 2506 1 1 8 HIS HB2 H -3.322 -2.952 1.408 1.00 . A A . 8 HIS HB2 1 1 17 2507 1 1 8 HIS HB3 H -3.035 -3.237 -0.317 1.00 . A A . 8 HIS HB3 1 1 17 2508 1 1 8 HIS HD1 H -3.865 -5.646 -1.266 1.00 . A A . 8 HIS HD1 1 1 17 2509 1 1 8 HIS HD2 H -5.205 -4.587 2.580 1.00 . A A . 8 HIS HD2 1 1 17 2510 1 1 8 HIS HE1 H -5.901 -7.081 -0.763 1.00 . A A . 8 HIS HE1 1 1 17 2511 1 1 8 HIS N N -0.777 -3.303 1.336 1.00 . A A . 8 HIS N 1 1 17 2512 1 1 8 HIS ND1 N -4.428 -5.579 -0.419 1.00 . A A . 8 HIS ND1 1 1 17 2513 1 1 8 HIS NE2 N -5.996 -5.961 1.063 1.00 . A A . 8 HIS NE2 1 1 17 2514 1 1 8 HIS O O -1.434 -6.382 -0.238 1.00 . A A . 8 HIS O 1 1 17 2515 1 1 9 LEU C C 0.989 -6.162 -1.972 1.00 . A A . 9 LEU C 1 1 17 2516 1 1 9 LEU CA C -0.106 -5.167 -2.345 1.00 . A A . 9 LEU CA 1 1 17 2517 1 1 9 LEU CB C 0.439 -4.140 -3.339 1.00 . A A . 9 LEU CB 1 1 17 2518 1 1 9 LEU CD1 C 0.111 -1.952 -4.517 1.00 . A A . 9 LEU CD1 1 1 17 2519 1 1 9 LEU CD2 C -1.427 -3.866 -4.990 1.00 . A A . 9 LEU CD2 1 1 17 2520 1 1 9 LEU CG C -0.584 -3.171 -3.931 1.00 . A A . 9 LEU CG 1 1 17 2521 1 1 9 LEU H H -0.505 -3.487 -1.066 1.00 . A A . 9 LEU H 1 1 17 2522 1 1 9 LEU HA H -0.919 -5.708 -2.823 1.00 . A A . 9 LEU HA 1 1 17 2523 1 1 9 LEU HB2 H 1.205 -3.573 -2.815 1.00 . A A . 9 LEU HB2 1 1 17 2524 1 1 9 LEU HB3 H 0.915 -4.681 -4.158 1.00 . A A . 9 LEU HB3 1 1 17 2525 1 1 9 LEU HD11 H -0.587 -1.113 -4.536 1.00 . A A . 9 LEU HD11 1 1 17 2526 1 1 9 LEU HD12 H 0.424 -2.178 -5.538 1.00 . A A . 9 LEU HD12 1 1 17 2527 1 1 9 LEU HD13 H 0.985 -1.674 -3.943 1.00 . A A . 9 LEU HD13 1 1 17 2528 1 1 9 LEU HD21 H -2.036 -3.124 -5.505 1.00 . A A . 9 LEU HD21 1 1 17 2529 1 1 9 LEU HD22 H -2.078 -4.606 -4.526 1.00 . A A . 9 LEU HD22 1 1 17 2530 1 1 9 LEU HD23 H -0.773 -4.357 -5.711 1.00 . A A . 9 LEU HD23 1 1 17 2531 1 1 9 LEU HG H -1.240 -2.842 -3.122 1.00 . A A . 9 LEU HG 1 1 17 2532 1 1 9 LEU N N -0.624 -4.496 -1.158 1.00 . A A . 9 LEU N 1 1 17 2533 1 1 9 LEU O O 0.891 -7.350 -2.278 1.00 . A A . 9 LEU O 1 1 17 2534 1 1 10 MET C C 2.648 -7.678 -0.036 1.00 . A A . 10 MET C 1 1 17 2535 1 1 10 MET CA C 3.141 -6.516 -0.893 1.00 . A A . 10 MET CA 1 1 17 2536 1 1 10 MET CB C 4.172 -5.695 -0.115 1.00 . A A . 10 MET CB 1 1 17 2537 1 1 10 MET CE C 4.803 -4.995 3.592 1.00 . A A . 10 MET CE 1 1 17 2538 1 1 10 MET CG C 3.593 -4.985 1.098 1.00 . A A . 10 MET CG 1 1 17 2539 1 1 10 MET H H 2.052 -4.673 -1.086 1.00 . A A . 10 MET H 1 1 17 2540 1 1 10 MET HA H 3.616 -6.923 -1.785 1.00 . A A . 10 MET HA 1 1 17 2541 1 1 10 MET HB2 H 4.959 -6.368 0.229 1.00 . A A . 10 MET HB2 1 1 17 2542 1 1 10 MET HB3 H 4.610 -4.960 -0.793 1.00 . A A . 10 MET HB3 1 1 17 2543 1 1 10 MET HE1 H 4.361 -4.012 3.756 1.00 . A A . 10 MET HE1 1 1 17 2544 1 1 10 MET HE2 H 5.753 -4.884 3.071 1.00 . A A . 10 MET HE2 1 1 17 2545 1 1 10 MET HE3 H 4.970 -5.482 4.552 1.00 . A A . 10 MET HE3 1 1 17 2546 1 1 10 MET HG2 H 4.134 -4.053 1.265 1.00 . A A . 10 MET HG2 1 1 17 2547 1 1 10 MET HG3 H 2.545 -4.749 0.898 1.00 . A A . 10 MET HG3 1 1 17 2548 1 1 10 MET N N 2.030 -5.668 -1.310 1.00 . A A . 10 MET N 1 1 17 2549 1 1 10 MET O O 1.503 -7.636 0.381 1.00 . A A . 10 MET O 1 1 17 2550 1 1 10 MET SD S 3.689 -5.983 2.597 1.00 . A A . 10 MET SD 1 1 18 2551 1 1 1 GLY C C 1.395 8.646 -0.253 1.00 . A A . 1 GLY C 1 1 18 2552 1 1 1 GLY CA C 2.098 9.977 -0.443 1.00 . A A . 1 GLY CA 1 1 18 2553 1 1 1 GLY H1 H 1.580 11.959 -0.489 1.00 . A A . 1 GLY H1 1 1 18 2554 1 1 1 GLY H2 H 0.273 10.892 -0.288 1.00 . A A . 1 GLY H2 1 1 18 2555 1 1 1 GLY H3 H 1.016 11.054 -1.807 1.00 . A A . 1 GLY H3 1 1 18 2556 1 1 1 GLY HA2 H 2.831 9.878 -1.244 1.00 . A A . 1 GLY HA2 1 1 18 2557 1 1 1 GLY HA3 H 2.617 10.237 0.480 1.00 . A A . 1 GLY HA3 1 1 18 2558 1 1 1 GLY N N 1.177 11.046 -0.781 1.00 . A A . 1 GLY N 1 1 18 2559 1 1 1 GLY O O 0.942 8.327 0.845 1.00 . A A . 1 GLY O 1 1 18 2560 1 1 2 ASN C C 1.621 5.489 -0.806 1.00 . A A . 2 ASN C 1 1 18 2561 1 1 2 ASN CA C 0.650 6.567 -1.276 1.00 . A A . 2 ASN CA 1 1 18 2562 1 1 2 ASN CB C 0.090 6.199 -2.652 1.00 . A A . 2 ASN CB 1 1 18 2563 1 1 2 ASN CG C -1.318 6.722 -2.862 1.00 . A A . 2 ASN CG 1 1 18 2564 1 1 2 ASN H H 1.700 8.191 -2.211 1.00 . A A . 2 ASN H 1 1 18 2565 1 1 2 ASN HA H -0.179 6.611 -0.566 1.00 . A A . 2 ASN HA 1 1 18 2566 1 1 2 ASN HB2 H 0.734 6.635 -3.414 1.00 . A A . 2 ASN HB2 1 1 18 2567 1 1 2 ASN HB3 H 0.083 5.112 -2.776 1.00 . A A . 2 ASN HB3 1 1 18 2568 1 1 2 ASN HD21 H -2.108 5.067 -1.957 1.00 . A A . 2 ASN HD21 1 1 18 2569 1 1 2 ASN HD22 H -3.271 6.271 -2.520 1.00 . A A . 2 ASN HD22 1 1 18 2570 1 1 2 ASN N N 1.304 7.869 -1.328 1.00 . A A . 2 ASN N 1 1 18 2571 1 1 2 ASN ND2 N -2.306 5.959 -2.410 1.00 . A A . 2 ASN ND2 1 1 18 2572 1 1 2 ASN O O 2.338 4.891 -1.608 1.00 . A A . 2 ASN O 1 1 18 2573 1 1 2 ASN OD1 O -1.514 7.800 -3.423 1.00 . A A . 2 ASN OD1 1 1 18 2574 1 1 3 HIS C C 1.715 3.139 1.765 1.00 . A A . 3 HIS C 1 1 18 2575 1 1 3 HIS CA C 2.521 4.239 1.080 1.00 . A A . 3 HIS CA 1 1 18 2576 1 1 3 HIS CB C 3.479 4.882 2.081 1.00 . A A . 3 HIS CB 1 1 18 2577 1 1 3 HIS CD2 C 5.087 2.867 2.394 1.00 . A A . 3 HIS CD2 1 1 18 2578 1 1 3 HIS CE1 C 6.976 3.960 2.214 1.00 . A A . 3 HIS CE1 1 1 18 2579 1 1 3 HIS CG C 4.807 4.184 2.187 1.00 . A A . 3 HIS CG 1 1 18 2580 1 1 3 HIS H H 1.016 5.770 1.116 1.00 . A A . 3 HIS H 1 1 18 2581 1 1 3 HIS HA H 3.117 3.775 0.288 1.00 . A A . 3 HIS HA 1 1 18 2582 1 1 3 HIS HB2 H 3.664 5.906 1.760 1.00 . A A . 3 HIS HB2 1 1 18 2583 1 1 3 HIS HB3 H 3.012 4.907 3.068 1.00 . A A . 3 HIS HB3 1 1 18 2584 1 1 3 HIS HD1 H 6.136 5.858 1.918 1.00 . A A . 3 HIS HD1 1 1 18 2585 1 1 3 HIS HD2 H 4.384 2.118 2.729 1.00 . A A . 3 HIS HD2 1 1 18 2586 1 1 3 HIS HE1 H 8.032 4.186 2.178 1.00 . A A . 3 HIS HE1 1 1 18 2587 1 1 3 HIS N N 1.639 5.245 0.502 1.00 . A A . 3 HIS N 1 1 18 2588 1 1 3 HIS ND1 N 6.012 4.859 2.076 1.00 . A A . 3 HIS ND1 1 1 18 2589 1 1 3 HIS NE2 N 6.465 2.741 2.409 1.00 . A A . 3 HIS NE2 1 1 18 2590 1 1 3 HIS O O 2.123 1.979 1.788 1.00 . A A . 3 HIS O 1 1 18 2591 1 1 4 TRP C C -0.796 1.489 2.049 1.00 . A A . 4 TRP C 1 1 18 2592 1 1 4 TRP CA C -0.293 2.559 3.012 1.00 . A A . 4 TRP CA 1 1 18 2593 1 1 4 TRP CB C -1.478 3.282 3.655 1.00 . A A . 4 TRP CB 1 1 18 2594 1 1 4 TRP CD1 C -1.962 2.828 6.130 1.00 . A A . 4 TRP CD1 1 1 18 2595 1 1 4 TRP CD2 C -2.894 1.355 4.724 1.00 . A A . 4 TRP CD2 1 1 18 2596 1 1 4 TRP CE2 C -3.234 0.996 6.043 1.00 . A A . 4 TRP CE2 1 1 18 2597 1 1 4 TRP CE3 C -3.370 0.573 3.669 1.00 . A A . 4 TRP CE3 1 1 18 2598 1 1 4 TRP CG C -2.080 2.529 4.802 1.00 . A A . 4 TRP CG 1 1 18 2599 1 1 4 TRP CH2 C -4.478 -0.861 5.278 1.00 . A A . 4 TRP CH2 1 1 18 2600 1 1 4 TRP CZ2 C -4.027 -0.112 6.331 1.00 . A A . 4 TRP CZ2 1 1 18 2601 1 1 4 TRP CZ3 C -4.156 -0.527 3.956 1.00 . A A . 4 TRP CZ3 1 1 18 2602 1 1 4 TRP H H 0.288 4.493 2.273 1.00 . A A . 4 TRP H 1 1 18 2603 1 1 4 TRP HA H 0.288 2.075 3.797 1.00 . A A . 4 TRP HA 1 1 18 2604 1 1 4 TRP HB2 H -1.132 4.246 4.026 1.00 . A A . 4 TRP HB2 1 1 18 2605 1 1 4 TRP HB3 H -2.248 3.455 2.900 1.00 . A A . 4 TRP HB3 1 1 18 2606 1 1 4 TRP HD1 H -1.407 3.663 6.530 1.00 . A A . 4 TRP HD1 1 1 18 2607 1 1 4 TRP HE1 H -2.729 1.897 7.899 1.00 . A A . 4 TRP HE1 1 1 18 2608 1 1 4 TRP HE3 H -3.146 0.825 2.650 1.00 . A A . 4 TRP HE3 1 1 18 2609 1 1 4 TRP HH2 H -5.095 -1.726 5.473 1.00 . A A . 4 TRP HH2 1 1 18 2610 1 1 4 TRP HZ2 H -4.275 -0.374 7.349 1.00 . A A . 4 TRP HZ2 1 1 18 2611 1 1 4 TRP HZ3 H -4.526 -1.135 3.144 1.00 . A A . 4 TRP HZ3 1 1 18 2612 1 1 4 TRP N N 0.570 3.514 2.324 1.00 . A A . 4 TRP N 1 1 18 2613 1 1 4 TRP NE1 N -2.653 1.909 6.882 1.00 . A A . 4 TRP NE1 1 1 18 2614 1 1 4 TRP O O -0.783 0.301 2.365 1.00 . A A . 4 TRP O 1 1 18 2615 1 1 5 ALA C C -0.707 -0.067 -0.478 1.00 . A A . 5 ALA C 1 1 18 2616 1 1 5 ALA CA C -1.746 0.997 -0.138 1.00 . A A . 5 ALA CA 1 1 18 2617 1 1 5 ALA CB C -2.155 1.759 -1.390 1.00 . A A . 5 ALA CB 1 1 18 2618 1 1 5 ALA H H -1.229 2.919 0.671 1.00 . A A . 5 ALA H 1 1 18 2619 1 1 5 ALA HA H -2.629 0.501 0.264 1.00 . A A . 5 ALA HA 1 1 18 2620 1 1 5 ALA HB1 H -3.006 2.401 -1.165 1.00 . A A . 5 ALA HB1 1 1 18 2621 1 1 5 ALA HB2 H -2.429 1.052 -2.174 1.00 . A A . 5 ALA HB2 1 1 18 2622 1 1 5 ALA HB3 H -1.319 2.371 -1.728 1.00 . A A . 5 ALA HB3 1 1 18 2623 1 1 5 ALA N N -1.240 1.919 0.872 1.00 . A A . 5 ALA N 1 1 18 2624 1 1 5 ALA O O -1.048 -1.226 -0.717 1.00 . A A . 5 ALA O 1 1 18 2625 1 1 6 VAL C C 1.630 -1.790 0.122 1.00 . A A . 6 VAL C 1 1 18 2626 1 1 6 VAL CA C 1.649 -0.586 -0.810 1.00 . A A . 6 VAL CA 1 1 18 2627 1 1 6 VAL CB C 3.016 0.111 -0.707 1.00 . A A . 6 VAL CB 1 1 18 2628 1 1 6 VAL CG1 C 4.140 -0.872 -1.005 1.00 . A A . 6 VAL CG1 1 1 18 2629 1 1 6 VAL CG2 C 3.079 1.305 -1.646 1.00 . A A . 6 VAL CG2 1 1 18 2630 1 1 6 VAL H H 0.777 1.310 -0.291 1.00 . A A . 6 VAL H 1 1 18 2631 1 1 6 VAL HA H 1.525 -0.936 -1.834 1.00 . A A . 6 VAL HA 1 1 18 2632 1 1 6 VAL HB H 3.142 0.464 0.314 1.00 . A A . 6 VAL HB 1 1 18 2633 1 1 6 VAL HG11 H 4.241 -1.580 -0.183 1.00 . A A . 6 VAL HG11 1 1 18 2634 1 1 6 VAL HG12 H 5.077 -0.328 -1.132 1.00 . A A . 6 VAL HG12 1 1 18 2635 1 1 6 VAL HG13 H 3.905 -1.412 -1.922 1.00 . A A . 6 VAL HG13 1 1 18 2636 1 1 6 VAL HG21 H 2.200 1.933 -1.500 1.00 . A A . 6 VAL HG21 1 1 18 2637 1 1 6 VAL HG22 H 3.101 0.946 -2.676 1.00 . A A . 6 VAL HG22 1 1 18 2638 1 1 6 VAL HG23 H 3.979 1.885 -1.443 1.00 . A A . 6 VAL HG23 1 1 18 2639 1 1 6 VAL N N 0.560 0.335 -0.499 1.00 . A A . 6 VAL N 1 1 18 2640 1 1 6 VAL O O 1.937 -2.910 -0.287 1.00 . A A . 6 VAL O 1 1 18 2641 1 1 7 GLY C C 0.263 -3.736 1.945 1.00 . A A . 7 GLY C 1 1 18 2642 1 1 7 GLY CA C 1.220 -2.631 2.351 1.00 . A A . 7 GLY CA 1 1 18 2643 1 1 7 GLY H H 1.027 -0.608 1.665 1.00 . A A . 7 GLY H 1 1 18 2644 1 1 7 GLY HA2 H 2.219 -3.052 2.461 1.00 . A A . 7 GLY HA2 1 1 18 2645 1 1 7 GLY HA3 H 0.901 -2.224 3.310 1.00 . A A . 7 GLY HA3 1 1 18 2646 1 1 7 GLY N N 1.270 -1.556 1.380 1.00 . A A . 7 GLY N 1 1 18 2647 1 1 7 GLY O O 0.550 -4.918 2.138 1.00 . A A . 7 GLY O 1 1 18 2648 1 1 8 HIS C C -1.525 -4.891 -0.421 1.00 . A A . 8 HIS C 1 1 18 2649 1 1 8 HIS CA C -1.880 -4.317 0.946 1.00 . A A . 8 HIS CA 1 1 18 2650 1 1 8 HIS CB C -3.260 -3.664 0.895 1.00 . A A . 8 HIS CB 1 1 18 2651 1 1 8 HIS CD2 C -4.464 -5.964 0.816 1.00 . A A . 8 HIS CD2 1 1 18 2652 1 1 8 HIS CE1 C -6.394 -5.319 1.621 1.00 . A A . 8 HIS CE1 1 1 18 2653 1 1 8 HIS CG C -4.399 -4.629 1.081 1.00 . A A . 8 HIS CG 1 1 18 2654 1 1 8 HIS H H -1.056 -2.356 1.249 1.00 . A A . 8 HIS H 1 1 18 2655 1 1 8 HIS HA H -1.913 -5.134 1.668 1.00 . A A . 8 HIS HA 1 1 18 2656 1 1 8 HIS HB2 H -3.314 -2.922 1.691 1.00 . A A . 8 HIS HB2 1 1 18 2657 1 1 8 HIS HB3 H -3.382 -3.155 -0.064 1.00 . A A . 8 HIS HB3 1 1 18 2658 1 1 8 HIS HD1 H -5.893 -3.299 1.882 1.00 . A A . 8 HIS HD1 1 1 18 2659 1 1 8 HIS HD2 H -3.758 -6.525 0.222 1.00 . A A . 8 HIS HD2 1 1 18 2660 1 1 8 HIS HE1 H -7.417 -5.331 1.971 1.00 . A A . 8 HIS HE1 1 1 18 2661 1 1 8 HIS N N -0.877 -3.351 1.381 1.00 . A A . 8 HIS N 1 1 18 2662 1 1 8 HIS ND1 N -5.627 -4.239 1.588 1.00 . A A . 8 HIS ND1 1 1 18 2663 1 1 8 HIS NE2 N -5.735 -6.384 1.164 1.00 . A A . 8 HIS NE2 1 1 18 2664 1 1 8 HIS O O -1.329 -6.099 -0.567 1.00 . A A . 8 HIS O 1 1 18 2665 1 1 9 LEU C C 0.168 -5.270 -2.793 1.00 . A A . 9 LEU C 1 1 18 2666 1 1 9 LEU CA C -1.112 -4.440 -2.777 1.00 . A A . 9 LEU CA 1 1 18 2667 1 1 9 LEU CB C -0.953 -3.220 -3.686 1.00 . A A . 9 LEU CB 1 1 18 2668 1 1 9 LEU CD1 C -1.838 -1.006 -4.462 1.00 . A A . 9 LEU CD1 1 1 18 2669 1 1 9 LEU CD2 C -3.199 -3.078 -4.793 1.00 . A A . 9 LEU CD2 1 1 18 2670 1 1 9 LEU CG C -2.206 -2.365 -3.887 1.00 . A A . 9 LEU CG 1 1 18 2671 1 1 9 LEU H H -1.620 -3.033 -1.233 1.00 . A A . 9 LEU H 1 1 18 2672 1 1 9 LEU HA H -1.925 -5.051 -3.162 1.00 . A A . 9 LEU HA 1 1 18 2673 1 1 9 LEU HB2 H -0.175 -2.589 -3.255 1.00 . A A . 9 LEU HB2 1 1 18 2674 1 1 9 LEU HB3 H -0.612 -3.566 -4.661 1.00 . A A . 9 LEU HB3 1 1 18 2675 1 1 9 LEU HD11 H -1.356 -1.148 -5.429 1.00 . A A . 9 LEU HD11 1 1 18 2676 1 1 9 LEU HD12 H -1.154 -0.492 -3.787 1.00 . A A . 9 LEU HD12 1 1 18 2677 1 1 9 LEU HD13 H -2.741 -0.408 -4.591 1.00 . A A . 9 LEU HD13 1 1 18 2678 1 1 9 LEU HD21 H -3.644 -3.925 -4.272 1.00 . A A . 9 LEU HD21 1 1 18 2679 1 1 9 LEU HD22 H -2.685 -3.429 -5.687 1.00 . A A . 9 LEU HD22 1 1 18 2680 1 1 9 LEU HD23 H -3.987 -2.382 -5.081 1.00 . A A . 9 LEU HD23 1 1 18 2681 1 1 9 LEU HG H -2.670 -2.213 -2.911 1.00 . A A . 9 LEU HG 1 1 18 2682 1 1 9 LEU N N -1.443 -4.020 -1.420 1.00 . A A . 9 LEU N 1 1 18 2683 1 1 9 LEU O O 0.140 -6.465 -3.087 1.00 . A A . 9 LEU O 1 1 18 2684 1 1 10 MET C C 2.666 -6.259 -1.258 1.00 . A A . 10 MET C 1 1 18 2685 1 1 10 MET CA C 2.577 -5.309 -2.448 1.00 . A A . 10 MET CA 1 1 18 2686 1 1 10 MET CB C 3.715 -4.288 -2.389 1.00 . A A . 10 MET CB 1 1 18 2687 1 1 10 MET CE C 7.817 -4.531 -2.948 1.00 . A A . 10 MET CE 1 1 18 2688 1 1 10 MET CG C 5.080 -4.883 -2.691 1.00 . A A . 10 MET CG 1 1 18 2689 1 1 10 MET H H 1.244 -3.637 -2.240 1.00 . A A . 10 MET H 1 1 18 2690 1 1 10 MET HA H 2.685 -5.886 -3.366 1.00 . A A . 10 MET HA 1 1 18 2691 1 1 10 MET HB2 H 3.512 -3.490 -3.103 1.00 . A A . 10 MET HB2 1 1 18 2692 1 1 10 MET HB3 H 3.748 -3.864 -1.388 1.00 . A A . 10 MET HB3 1 1 18 2693 1 1 10 MET HE1 H 7.945 -5.593 -2.741 1.00 . A A . 10 MET HE1 1 1 18 2694 1 1 10 MET HE2 H 8.725 -3.994 -2.672 1.00 . A A . 10 MET HE2 1 1 18 2695 1 1 10 MET HE3 H 7.622 -4.390 -4.012 1.00 . A A . 10 MET HE3 1 1 18 2696 1 1 10 MET HG2 H 5.128 -5.887 -2.267 1.00 . A A . 10 MET HG2 1 1 18 2697 1 1 10 MET HG3 H 5.208 -4.947 -3.773 1.00 . A A . 10 MET HG3 1 1 18 2698 1 1 10 MET N N 1.287 -4.629 -2.474 1.00 . A A . 10 MET N 1 1 18 2699 1 1 10 MET O O 2.721 -5.769 -0.142 1.00 . A A . 10 MET O 1 1 18 2700 1 1 10 MET SD S 6.430 -3.907 -2.001 1.00 . A A . 10 MET SD 1 1 19 2701 1 1 1 GLY C C 1.166 4.774 -3.590 1.00 . A A . 1 GLY C 1 1 19 2702 1 1 1 GLY CA C 0.945 4.318 -5.018 1.00 . A A . 1 GLY CA 1 1 19 2703 1 1 1 GLY H1 H 2.544 3.221 -5.678 1.00 . A A . 1 GLY H1 1 1 19 2704 1 1 1 GLY H2 H 2.888 4.856 -5.371 1.00 . A A . 1 GLY H2 1 1 19 2705 1 1 1 GLY H3 H 2.018 4.413 -6.762 1.00 . A A . 1 GLY H3 1 1 19 2706 1 1 1 GLY HA2 H 0.304 5.040 -5.523 1.00 . A A . 1 GLY HA2 1 1 19 2707 1 1 1 GLY HA3 H 0.443 3.351 -5.004 1.00 . A A . 1 GLY HA3 1 1 19 2708 1 1 1 GLY N N 2.186 4.193 -5.760 1.00 . A A . 1 GLY N 1 1 19 2709 1 1 1 GLY O O 2.305 4.932 -3.152 1.00 . A A . 1 GLY O 1 1 19 2710 1 1 2 ASN C C 1.010 4.473 -0.648 1.00 . A A . 2 ASN C 1 1 19 2711 1 1 2 ASN CA C 0.155 5.428 -1.475 1.00 . A A . 2 ASN CA 1 1 19 2712 1 1 2 ASN CB C -1.246 5.533 -0.870 1.00 . A A . 2 ASN CB 1 1 19 2713 1 1 2 ASN CG C -1.278 6.410 0.367 1.00 . A A . 2 ASN CG 1 1 19 2714 1 1 2 ASN H H -0.841 4.837 -3.285 1.00 . A A . 2 ASN H 1 1 19 2715 1 1 2 ASN HA H 0.616 6.416 -1.452 1.00 . A A . 2 ASN HA 1 1 19 2716 1 1 2 ASN HB2 H -1.915 5.962 -1.615 1.00 . A A . 2 ASN HB2 1 1 19 2717 1 1 2 ASN HB3 H -1.599 4.535 -0.611 1.00 . A A . 2 ASN HB3 1 1 19 2718 1 1 2 ASN HD21 H -1.955 4.848 1.503 1.00 . A A . 2 ASN HD21 1 1 19 2719 1 1 2 ASN HD22 H -1.710 6.378 2.353 1.00 . A A . 2 ASN HD22 1 1 19 2720 1 1 2 ASN N N 0.075 4.986 -2.863 1.00 . A A . 2 ASN N 1 1 19 2721 1 1 2 ASN ND2 N -1.679 5.831 1.493 1.00 . A A . 2 ASN ND2 1 1 19 2722 1 1 2 ASN O O 0.905 3.254 -0.784 1.00 . A A . 2 ASN O 1 1 19 2723 1 1 2 ASN OD1 O -0.946 7.595 0.310 1.00 . A A . 2 ASN OD1 1 1 19 2724 1 1 3 HIS C C 1.918 3.226 1.872 1.00 . A A . 3 HIS C 1 1 19 2725 1 1 3 HIS CA C 2.727 4.234 1.061 1.00 . A A . 3 HIS CA 1 1 19 2726 1 1 3 HIS CB C 3.529 5.135 2.000 1.00 . A A . 3 HIS CB 1 1 19 2727 1 1 3 HIS CD2 C 5.888 5.185 0.916 1.00 . A A . 3 HIS CD2 1 1 19 2728 1 1 3 HIS CE1 C 5.999 7.340 0.540 1.00 . A A . 3 HIS CE1 1 1 19 2729 1 1 3 HIS CG C 4.735 5.762 1.355 1.00 . A A . 3 HIS CG 1 1 19 2730 1 1 3 HIS H H 1.893 6.053 0.275 1.00 . A A . 3 HIS H 1 1 19 2731 1 1 3 HIS HA H 3.427 3.687 0.427 1.00 . A A . 3 HIS HA 1 1 19 2732 1 1 3 HIS HB2 H 2.877 5.934 2.349 1.00 . A A . 3 HIS HB2 1 1 19 2733 1 1 3 HIS HB3 H 3.863 4.553 2.864 1.00 . A A . 3 HIS HB3 1 1 19 2734 1 1 3 HIS HD1 H 4.118 7.825 1.328 1.00 . A A . 3 HIS HD1 1 1 19 2735 1 1 3 HIS HD2 H 6.045 4.128 0.760 1.00 . A A . 3 HIS HD2 1 1 19 2736 1 1 3 HIS HE1 H 6.358 8.312 0.231 1.00 . A A . 3 HIS HE1 1 1 19 2737 1 1 3 HIS N N 1.854 5.036 0.210 1.00 . A A . 3 HIS N 1 1 19 2738 1 1 3 HIS ND1 N 4.824 7.122 1.110 1.00 . A A . 3 HIS ND1 1 1 19 2739 1 1 3 HIS NE2 N 6.678 6.198 0.403 1.00 . A A . 3 HIS NE2 1 1 19 2740 1 1 3 HIS O O 2.384 2.120 2.147 1.00 . A A . 3 HIS O 1 1 19 2741 1 1 4 TRP C C -0.819 1.692 2.142 1.00 . A A . 4 TRP C 1 1 19 2742 1 1 4 TRP CA C -0.166 2.745 3.030 1.00 . A A . 4 TRP CA 1 1 19 2743 1 1 4 TRP CB C -1.243 3.570 3.739 1.00 . A A . 4 TRP CB 1 1 19 2744 1 1 4 TRP CD1 C -1.423 3.288 6.280 1.00 . A A . 4 TRP CD1 1 1 19 2745 1 1 4 TRP CD2 C -2.652 1.833 5.102 1.00 . A A . 4 TRP CD2 1 1 19 2746 1 1 4 TRP CE2 C -2.839 1.573 6.474 1.00 . A A . 4 TRP CE2 1 1 19 2747 1 1 4 TRP CE3 C -3.327 1.042 4.169 1.00 . A A . 4 TRP CE3 1 1 19 2748 1 1 4 TRP CG C -1.743 2.935 5.000 1.00 . A A . 4 TRP CG 1 1 19 2749 1 1 4 TRP CH2 C -4.320 -0.204 5.995 1.00 . A A . 4 TRP CH2 1 1 19 2750 1 1 4 TRP CZ2 C -3.672 0.555 6.932 1.00 . A A . 4 TRP CZ2 1 1 19 2751 1 1 4 TRP CZ3 C -4.154 0.032 4.624 1.00 . A A . 4 TRP CZ3 1 1 19 2752 1 1 4 TRP H H 0.377 4.545 1.993 1.00 . A A . 4 TRP H 1 1 19 2753 1 1 4 TRP HA H 0.437 2.237 3.785 1.00 . A A . 4 TRP HA 1 1 19 2754 1 1 4 TRP HB2 H -0.816 4.539 3.995 1.00 . A A . 4 TRP HB2 1 1 19 2755 1 1 4 TRP HB3 H -2.085 3.729 3.060 1.00 . A A . 4 TRP HB3 1 1 19 2756 1 1 4 TRP HD1 H -0.753 4.090 6.551 1.00 . A A . 4 TRP HD1 1 1 19 2757 1 1 4 TRP HE1 H -2.016 2.521 8.188 1.00 . A A . 4 TRP HE1 1 1 19 2758 1 1 4 TRP HE3 H -3.206 1.220 3.112 1.00 . A A . 4 TRP HE3 1 1 19 2759 1 1 4 TRP HH2 H -4.972 -1.001 6.323 1.00 . A A . 4 TRP HH2 1 1 19 2760 1 1 4 TRP HZ2 H -3.803 0.370 7.988 1.00 . A A . 4 TRP HZ2 1 1 19 2761 1 1 4 TRP HZ3 H -4.678 -0.582 3.906 1.00 . A A . 4 TRP HZ3 1 1 19 2762 1 1 4 TRP N N 0.706 3.615 2.251 1.00 . A A . 4 TRP N 1 1 19 2763 1 1 4 TRP NE1 N -2.078 2.474 7.171 1.00 . A A . 4 TRP NE1 1 1 19 2764 1 1 4 TRP O O -0.923 0.525 2.522 1.00 . A A . 4 TRP O 1 1 19 2765 1 1 5 ALA C C -0.951 0.079 -0.393 1.00 . A A . 5 ALA C 1 1 19 2766 1 1 5 ALA CA C -1.898 1.201 0.017 1.00 . A A . 5 ALA CA 1 1 19 2767 1 1 5 ALA CB C -2.379 1.963 -1.208 1.00 . A A . 5 ALA CB 1 1 19 2768 1 1 5 ALA H H -1.143 3.091 0.705 1.00 . A A . 5 ALA H 1 1 19 2769 1 1 5 ALA HA H -2.765 0.757 0.506 1.00 . A A . 5 ALA HA 1 1 19 2770 1 1 5 ALA HB1 H -3.097 2.725 -0.907 1.00 . A A . 5 ALA HB1 1 1 19 2771 1 1 5 ALA HB2 H -2.856 1.270 -1.902 1.00 . A A . 5 ALA HB2 1 1 19 2772 1 1 5 ALA HB3 H -1.528 2.437 -1.696 1.00 . A A . 5 ALA HB3 1 1 19 2773 1 1 5 ALA N N -1.258 2.110 0.960 1.00 . A A . 5 ALA N 1 1 19 2774 1 1 5 ALA O O -1.385 -1.030 -0.709 1.00 . A A . 5 ALA O 1 1 19 2775 1 1 6 VAL C C 1.381 -1.770 0.231 1.00 . A A . 6 VAL C 1 1 19 2776 1 1 6 VAL CA C 1.356 -0.612 -0.759 1.00 . A A . 6 VAL CA 1 1 19 2777 1 1 6 VAL CB C 2.755 0.022 -0.831 1.00 . A A . 6 VAL CB 1 1 19 2778 1 1 6 VAL CG1 C 3.788 -1.013 -1.255 1.00 . A A . 6 VAL CG1 1 1 19 2779 1 1 6 VAL CG2 C 2.757 1.208 -1.784 1.00 . A A . 6 VAL CG2 1 1 19 2780 1 1 6 VAL H H 0.644 1.309 -0.113 1.00 . A A . 6 VAL H 1 1 19 2781 1 1 6 VAL HA H 1.109 -1.005 -1.735 1.00 . A A . 6 VAL HA 1 1 19 2782 1 1 6 VAL HB H 3.017 0.371 0.171 1.00 . A A . 6 VAL HB 1 1 19 2783 1 1 6 VAL HG11 H 3.939 -1.732 -0.451 1.00 . A A . 6 VAL HG11 1 1 19 2784 1 1 6 VAL HG12 H 4.732 -0.516 -1.481 1.00 . A A . 6 VAL HG12 1 1 19 2785 1 1 6 VAL HG13 H 3.428 -1.533 -2.144 1.00 . A A . 6 VAL HG13 1 1 19 2786 1 1 6 VAL HG21 H 3.295 0.953 -2.701 1.00 . A A . 6 VAL HG21 1 1 19 2787 1 1 6 VAL HG22 H 3.247 2.066 -1.316 1.00 . A A . 6 VAL HG22 1 1 19 2788 1 1 6 VAL HG23 H 1.735 1.485 -2.048 1.00 . A A . 6 VAL HG23 1 1 19 2789 1 1 6 VAL N N 0.346 0.373 -0.387 1.00 . A A . 6 VAL N 1 1 19 2790 1 1 6 VAL O O 1.786 -2.881 -0.109 1.00 . A A . 6 VAL O 1 1 19 2791 1 1 7 GLY C C 0.172 -3.769 2.046 1.00 . A A . 7 GLY C 1 1 19 2792 1 1 7 GLY CA C 0.933 -2.533 2.482 1.00 . A A . 7 GLY CA 1 1 19 2793 1 1 7 GLY H H 0.627 -0.563 1.685 1.00 . A A . 7 GLY H 1 1 19 2794 1 1 7 GLY HA2 H 1.951 -2.803 2.732 1.00 . A A . 7 GLY HA2 1 1 19 2795 1 1 7 GLY HA3 H 0.451 -2.127 3.371 1.00 . A A . 7 GLY HA3 1 1 19 2796 1 1 7 GLY N N 0.951 -1.503 1.460 1.00 . A A . 7 GLY N 1 1 19 2797 1 1 7 GLY O O 0.433 -4.871 2.530 1.00 . A A . 7 GLY O 1 1 19 2798 1 1 8 HIS C C -0.927 -5.329 -0.597 1.00 . A A . 8 HIS C 1 1 19 2799 1 1 8 HIS CA C -1.578 -4.697 0.629 1.00 . A A . 8 HIS CA 1 1 19 2800 1 1 8 HIS CB C -2.990 -4.219 0.284 1.00 . A A . 8 HIS CB 1 1 19 2801 1 1 8 HIS CD2 C -5.102 -4.967 1.597 1.00 . A A . 8 HIS CD2 1 1 19 2802 1 1 8 HIS CE1 C -4.739 -3.821 3.427 1.00 . A A . 8 HIS CE1 1 1 19 2803 1 1 8 HIS CG C -3.940 -4.271 1.449 1.00 . A A . 8 HIS CG 1 1 19 2804 1 1 8 HIS H H -0.947 -2.648 0.770 1.00 . A A . 8 HIS H 1 1 19 2805 1 1 8 HIS HA H -1.654 -5.464 1.406 1.00 . A A . 8 HIS HA 1 1 19 2806 1 1 8 HIS HB2 H -2.927 -3.188 -0.057 1.00 . A A . 8 HIS HB2 1 1 19 2807 1 1 8 HIS HB3 H -3.400 -4.830 -0.526 1.00 . A A . 8 HIS HB3 1 1 19 2808 1 1 8 HIS HD1 H -2.940 -2.935 2.811 1.00 . A A . 8 HIS HD1 1 1 19 2809 1 1 8 HIS HD2 H -5.436 -5.777 0.965 1.00 . A A . 8 HIS HD2 1 1 19 2810 1 1 8 HIS HE1 H -4.854 -3.404 4.418 1.00 . A A . 8 HIS HE1 1 1 19 2811 1 1 8 HIS N N -0.774 -3.587 1.130 1.00 . A A . 8 HIS N 1 1 19 2812 1 1 8 HIS ND1 N -3.727 -3.553 2.614 1.00 . A A . 8 HIS ND1 1 1 19 2813 1 1 8 HIS NE2 N -5.595 -4.671 2.855 1.00 . A A . 8 HIS NE2 1 1 19 2814 1 1 8 HIS O O -1.127 -6.510 -0.880 1.00 . A A . 8 HIS O 1 1 19 2815 1 1 9 LEU C C 1.771 -5.823 -2.157 1.00 . A A . 9 LEU C 1 1 19 2816 1 1 9 LEU CA C 0.530 -5.014 -2.522 1.00 . A A . 9 LEU CA 1 1 19 2817 1 1 9 LEU CB C 0.920 -3.837 -3.418 1.00 . A A . 9 LEU CB 1 1 19 2818 1 1 9 LEU CD1 C 0.330 -1.644 -4.480 1.00 . A A . 9 LEU CD1 1 1 19 2819 1 1 9 LEU CD2 C -1.157 -3.628 -4.806 1.00 . A A . 9 LEU CD2 1 1 19 2820 1 1 9 LEU CG C -0.220 -2.911 -3.844 1.00 . A A . 9 LEU CG 1 1 19 2821 1 1 9 LEU H H -0.027 -3.562 -1.039 1.00 . A A . 9 LEU H 1 1 19 2822 1 1 9 LEU HA H -0.151 -5.656 -3.079 1.00 . A A . 9 LEU HA 1 1 19 2823 1 1 9 LEU HB2 H 1.659 -3.251 -2.877 1.00 . A A . 9 LEU HB2 1 1 19 2824 1 1 9 LEU HB3 H 1.389 -4.236 -4.318 1.00 . A A . 9 LEU HB3 1 1 19 2825 1 1 9 LEU HD11 H 0.563 -1.843 -5.527 1.00 . A A . 9 LEU HD11 1 1 19 2826 1 1 9 LEU HD12 H 1.233 -1.309 -3.977 1.00 . A A . 9 LEU HD12 1 1 19 2827 1 1 9 LEU HD13 H -0.422 -0.857 -4.428 1.00 . A A . 9 LEU HD13 1 1 19 2828 1 1 9 LEU HD21 H -1.836 -2.905 -5.258 1.00 . A A . 9 LEU HD21 1 1 19 2829 1 1 9 LEU HD22 H -1.737 -4.379 -4.270 1.00 . A A . 9 LEU HD22 1 1 19 2830 1 1 9 LEU HD23 H -0.571 -4.111 -5.588 1.00 . A A . 9 LEU HD23 1 1 19 2831 1 1 9 LEU HG H -0.781 -2.635 -2.950 1.00 . A A . 9 LEU HG 1 1 19 2832 1 1 9 LEU N N -0.149 -4.533 -1.324 1.00 . A A . 9 LEU N 1 1 19 2833 1 1 9 LEU O O 2.080 -6.826 -2.798 1.00 . A A . 9 LEU O 1 1 19 2834 1 1 10 MET C C 3.359 -7.484 -0.209 1.00 . A A . 10 MET C 1 1 19 2835 1 1 10 MET CA C 3.681 -6.066 -0.669 1.00 . A A . 10 MET CA 1 1 19 2836 1 1 10 MET CB C 4.341 -5.286 0.470 1.00 . A A . 10 MET CB 1 1 19 2837 1 1 10 MET CE C 4.749 -5.682 4.002 1.00 . A A . 10 MET CE 1 1 19 2838 1 1 10 MET CG C 3.420 -5.045 1.655 1.00 . A A . 10 MET CG 1 1 19 2839 1 1 10 MET H H 2.166 -4.546 -0.629 1.00 . A A . 10 MET H 1 1 19 2840 1 1 10 MET HA H 4.377 -6.125 -1.505 1.00 . A A . 10 MET HA 1 1 19 2841 1 1 10 MET HB2 H 5.203 -5.855 0.819 1.00 . A A . 10 MET HB2 1 1 19 2842 1 1 10 MET HB3 H 4.690 -4.329 0.075 1.00 . A A . 10 MET HB3 1 1 19 2843 1 1 10 MET HE1 H 4.981 -6.409 4.781 1.00 . A A . 10 MET HE1 1 1 19 2844 1 1 10 MET HE2 H 5.655 -5.449 3.442 1.00 . A A . 10 MET HE2 1 1 19 2845 1 1 10 MET HE3 H 4.359 -4.773 4.457 1.00 . A A . 10 MET HE3 1 1 19 2846 1 1 10 MET HG2 H 3.711 -4.115 2.140 1.00 . A A . 10 MET HG2 1 1 19 2847 1 1 10 MET HG3 H 2.399 -4.955 1.294 1.00 . A A . 10 MET HG3 1 1 19 2848 1 1 10 MET N N 2.476 -5.380 -1.121 1.00 . A A . 10 MET N 1 1 19 2849 1 1 10 MET O O 2.407 -8.050 -0.722 1.00 . A A . 10 MET O 1 1 19 2850 1 1 10 MET SD S 3.517 -6.355 2.889 1.00 . A A . 10 MET SD 1 1 20 2851 1 1 1 GLY C C 1.501 8.497 -1.289 1.00 . A A . 1 GLY C 1 1 20 2852 1 1 1 GLY CA C 2.391 9.383 -2.140 1.00 . A A . 1 GLY CA 1 1 20 2853 1 1 1 GLY H1 H 4.436 9.490 -2.095 1.00 . A A . 1 GLY H1 1 1 20 2854 1 1 1 GLY H2 H 3.712 9.178 -0.591 1.00 . A A . 1 GLY H2 1 1 20 2855 1 1 1 GLY H3 H 3.650 10.738 -1.260 1.00 . A A . 1 GLY H3 1 1 20 2856 1 1 1 GLY HA2 H 1.854 10.302 -2.371 1.00 . A A . 1 GLY HA2 1 1 20 2857 1 1 1 GLY HA3 H 2.619 8.862 -3.070 1.00 . A A . 1 GLY HA3 1 1 20 2858 1 1 1 GLY N N 3.636 9.721 -1.475 1.00 . A A . 1 GLY N 1 1 20 2859 1 1 1 GLY O O 1.051 8.903 -0.219 1.00 . A A . 1 GLY O 1 1 20 2860 1 1 2 ASN C C 1.200 5.104 -0.632 1.00 . A A . 2 ASN C 1 1 20 2861 1 1 2 ASN CA C 0.404 6.338 -1.045 1.00 . A A . 2 ASN CA 1 1 20 2862 1 1 2 ASN CB C -0.789 5.923 -1.909 1.00 . A A . 2 ASN CB 1 1 20 2863 1 1 2 ASN CG C -0.426 5.802 -3.376 1.00 . A A . 2 ASN CG 1 1 20 2864 1 1 2 ASN H H 1.650 7.007 -2.663 1.00 . A A . 2 ASN H 1 1 20 2865 1 1 2 ASN HA H 0.024 6.805 -0.131 1.00 . A A . 2 ASN HA 1 1 20 2866 1 1 2 ASN HB2 H -1.187 4.969 -1.559 1.00 . A A . 2 ASN HB2 1 1 20 2867 1 1 2 ASN HB3 H -1.569 6.682 -1.815 1.00 . A A . 2 ASN HB3 1 1 20 2868 1 1 2 ASN HD21 H -0.434 3.759 -3.249 1.00 . A A . 2 ASN HD21 1 1 20 2869 1 1 2 ASN HD22 H -0.034 4.438 -4.831 1.00 . A A . 2 ASN HD22 1 1 20 2870 1 1 2 ASN N N 1.247 7.284 -1.768 1.00 . A A . 2 ASN N 1 1 20 2871 1 1 2 ASN ND2 N -0.288 4.570 -3.852 1.00 . A A . 2 ASN ND2 1 1 20 2872 1 1 2 ASN O O 1.243 4.109 -1.356 1.00 . A A . 2 ASN O 1 1 20 2873 1 1 2 ASN OD1 O -0.272 6.804 -4.074 1.00 . A A . 2 ASN OD1 1 1 20 2874 1 1 3 HIS C C 1.728 3.000 1.673 1.00 . A A . 3 HIS C 1 1 20 2875 1 1 3 HIS CA C 2.624 4.066 1.048 1.00 . A A . 3 HIS CA 1 1 20 2876 1 1 3 HIS CB C 3.636 4.564 2.079 1.00 . A A . 3 HIS CB 1 1 20 2877 1 1 3 HIS CD2 C 5.945 4.556 0.890 1.00 . A A . 3 HIS CD2 1 1 20 2878 1 1 3 HIS CE1 C 6.256 6.723 0.826 1.00 . A A . 3 HIS CE1 1 1 20 2879 1 1 3 HIS CG C 4.872 5.166 1.470 1.00 . A A . 3 HIS CG 1 1 20 2880 1 1 3 HIS H H 1.753 6.029 1.092 1.00 . A A . 3 HIS H 1 1 20 2881 1 1 3 HIS HA H 3.174 3.613 0.220 1.00 . A A . 3 HIS HA 1 1 20 2882 1 1 3 HIS HB2 H 3.155 5.325 2.692 1.00 . A A . 3 HIS HB2 1 1 20 2883 1 1 3 HIS HB3 H 3.937 3.734 2.724 1.00 . A A . 3 HIS HB3 1 1 20 2884 1 1 3 HIS HD1 H 4.464 7.259 1.773 1.00 . A A . 3 HIS HD1 1 1 20 2885 1 1 3 HIS HD2 H 6.188 3.506 0.962 1.00 . A A . 3 HIS HD2 1 1 20 2886 1 1 3 HIS HE1 H 6.698 7.692 0.643 1.00 . A A . 3 HIS HE1 1 1 20 2887 1 1 3 HIS N N 1.829 5.177 0.537 1.00 . A A . 3 HIS N 1 1 20 2888 1 1 3 HIS ND1 N 5.087 6.533 1.420 1.00 . A A . 3 HIS ND1 1 1 20 2889 1 1 3 HIS NE2 N 6.813 5.557 0.488 1.00 . A A . 3 HIS NE2 1 1 20 2890 1 1 3 HIS O O 1.964 1.802 1.509 1.00 . A A . 3 HIS O 1 1 20 2891 1 1 4 TRP C C -0.841 1.562 2.026 1.00 . A A . 4 TRP C 1 1 20 2892 1 1 4 TRP CA C -0.230 2.526 3.038 1.00 . A A . 4 TRP CA 1 1 20 2893 1 1 4 TRP CB C -1.336 3.308 3.748 1.00 . A A . 4 TRP CB 1 1 20 2894 1 1 4 TRP CD1 C -1.628 2.906 6.262 1.00 . A A . 4 TRP CD1 1 1 20 2895 1 1 4 TRP CD2 C -2.766 1.480 4.965 1.00 . A A . 4 TRP CD2 1 1 20 2896 1 1 4 TRP CE2 C -3.010 1.153 6.312 1.00 . A A . 4 TRP CE2 1 1 20 2897 1 1 4 TRP CE3 C -3.378 0.718 3.965 1.00 . A A . 4 TRP CE3 1 1 20 2898 1 1 4 TRP CG C -1.880 2.604 4.955 1.00 . A A . 4 TRP CG 1 1 20 2899 1 1 4 TRP CH2 C -4.425 -0.632 5.685 1.00 . A A . 4 TRP CH2 1 1 20 2900 1 1 4 TRP CZ2 C -3.840 0.097 6.684 1.00 . A A . 4 TRP CZ2 1 1 20 2901 1 1 4 TRP CZ3 C -4.200 -0.329 4.335 1.00 . A A . 4 TRP CZ3 1 1 20 2902 1 1 4 TRP H H 0.559 4.448 2.487 1.00 . A A . 4 TRP H 1 1 20 2903 1 1 4 TRP HA H 0.324 1.948 3.779 1.00 . A A . 4 TRP HA 1 1 20 2904 1 1 4 TRP HB2 H -0.921 4.262 4.073 1.00 . A A . 4 TRP HB2 1 1 20 2905 1 1 4 TRP HB3 H -2.153 3.505 3.049 1.00 . A A . 4 TRP HB3 1 1 20 2906 1 1 4 TRP HD1 H -0.990 3.710 6.601 1.00 . A A . 4 TRP HD1 1 1 20 2907 1 1 4 TRP HE1 H -2.293 2.039 8.104 1.00 . A A . 4 TRP HE1 1 1 20 2908 1 1 4 TRP HE3 H -3.214 0.947 2.925 1.00 . A A . 4 TRP HE3 1 1 20 2909 1 1 4 TRP HH2 H -5.072 -1.457 5.945 1.00 . A A . 4 TRP HH2 1 1 20 2910 1 1 4 TRP HZ2 H -4.015 -0.140 7.723 1.00 . A A . 4 TRP HZ2 1 1 20 2911 1 1 4 TRP HZ3 H -4.676 -0.920 3.567 1.00 . A A . 4 TRP HZ3 1 1 20 2912 1 1 4 TRP N N 0.700 3.443 2.388 1.00 . A A . 4 TRP N 1 1 20 2913 1 1 4 TRP NE1 N -2.305 2.037 7.084 1.00 . A A . 4 TRP NE1 1 1 20 2914 1 1 4 TRP O O -0.950 0.364 2.285 1.00 . A A . 4 TRP O 1 1 20 2915 1 1 5 ALA C C -0.884 0.173 -0.622 1.00 . A A . 5 ALA C 1 1 20 2916 1 1 5 ALA CA C -1.835 1.280 -0.176 1.00 . A A . 5 ALA CA 1 1 20 2917 1 1 5 ALA CB C -2.226 2.151 -1.360 1.00 . A A . 5 ALA CB 1 1 20 2918 1 1 5 ALA H H -1.121 3.096 0.722 1.00 . A A . 5 ALA H 1 1 20 2919 1 1 5 ALA HA H -2.738 0.817 0.221 1.00 . A A . 5 ALA HA 1 1 20 2920 1 1 5 ALA HB1 H -1.324 2.510 -1.856 1.00 . A A . 5 ALA HB1 1 1 20 2921 1 1 5 ALA HB2 H -2.812 3.002 -1.010 1.00 . A A . 5 ALA HB2 1 1 20 2922 1 1 5 ALA HB3 H -2.818 1.566 -2.063 1.00 . A A . 5 ALA HB3 1 1 20 2923 1 1 5 ALA N N -1.238 2.094 0.875 1.00 . A A . 5 ALA N 1 1 20 2924 1 1 5 ALA O O -1.316 -0.866 -1.122 1.00 . A A . 5 ALA O 1 1 20 2925 1 1 6 VAL C C 1.479 -1.725 0.176 1.00 . A A . 6 VAL C 1 1 20 2926 1 1 6 VAL CA C 1.425 -0.574 -0.821 1.00 . A A . 6 VAL CA 1 1 20 2927 1 1 6 VAL CB C 2.818 0.073 -0.920 1.00 . A A . 6 VAL CB 1 1 20 2928 1 1 6 VAL CG1 C 3.844 -0.942 -1.401 1.00 . A A . 6 VAL CG1 1 1 20 2929 1 1 6 VAL CG2 C 2.781 1.283 -1.840 1.00 . A A . 6 VAL CG2 1 1 20 2930 1 1 6 VAL H H 0.706 1.286 -0.015 1.00 . A A . 6 VAL H 1 1 20 2931 1 1 6 VAL HA H 1.175 -0.977 -1.791 1.00 . A A . 6 VAL HA 1 1 20 2932 1 1 6 VAL HB H 3.118 0.400 0.072 1.00 . A A . 6 VAL HB 1 1 20 2933 1 1 6 VAL HG11 H 3.474 -1.416 -2.310 1.00 . A A . 6 VAL HG11 1 1 20 2934 1 1 6 VAL HG12 H 4.004 -1.701 -0.634 1.00 . A A . 6 VAL HG12 1 1 20 2935 1 1 6 VAL HG13 H 4.786 -0.436 -1.613 1.00 . A A . 6 VAL HG13 1 1 20 2936 1 1 6 VAL HG21 H 3.680 1.882 -1.695 1.00 . A A . 6 VAL HG21 1 1 20 2937 1 1 6 VAL HG22 H 1.905 1.886 -1.621 1.00 . A A . 6 VAL HG22 1 1 20 2938 1 1 6 VAL HG23 H 2.736 0.943 -2.875 1.00 . A A . 6 VAL HG23 1 1 20 2939 1 1 6 VAL N N 0.412 0.405 -0.437 1.00 . A A . 6 VAL N 1 1 20 2940 1 1 6 VAL O O 1.887 -2.836 -0.164 1.00 . A A . 6 VAL O 1 1 20 2941 1 1 7 GLY C C 0.259 -3.697 2.051 1.00 . A A . 7 GLY C 1 1 20 2942 1 1 7 GLY CA C 1.075 -2.478 2.438 1.00 . A A . 7 GLY CA 1 1 20 2943 1 1 7 GLY H H 0.736 -0.516 1.636 1.00 . A A . 7 GLY H 1 1 20 2944 1 1 7 GLY HA2 H 2.105 -2.785 2.619 1.00 . A A . 7 GLY HA2 1 1 20 2945 1 1 7 GLY HA3 H 0.666 -2.058 3.357 1.00 . A A . 7 GLY HA3 1 1 20 2946 1 1 7 GLY N N 1.065 -1.455 1.410 1.00 . A A . 7 GLY N 1 1 20 2947 1 1 7 GLY O O 0.590 -4.821 2.429 1.00 . A A . 7 GLY O 1 1 20 2948 1 1 8 HIS C C -1.105 -5.251 -0.375 1.00 . A A . 8 HIS C 1 1 20 2949 1 1 8 HIS CA C -1.680 -4.562 0.858 1.00 . A A . 8 HIS CA 1 1 20 2950 1 1 8 HIS CB C -3.081 -4.034 0.557 1.00 . A A . 8 HIS CB 1 1 20 2951 1 1 8 HIS CD2 C -3.670 -4.108 3.084 1.00 . A A . 8 HIS CD2 1 1 20 2952 1 1 8 HIS CE1 C -5.790 -3.586 2.913 1.00 . A A . 8 HIS CE1 1 1 20 2953 1 1 8 HIS CG C -3.967 -3.925 1.767 1.00 . A A . 8 HIS CG 1 1 20 2954 1 1 8 HIS H H -1.037 -2.518 1.018 1.00 . A A . 8 HIS H 1 1 20 2955 1 1 8 HIS HA H -1.756 -5.300 1.659 1.00 . A A . 8 HIS HA 1 1 20 2956 1 1 8 HIS HB2 H -2.987 -3.044 0.115 1.00 . A A . 8 HIS HB2 1 1 20 2957 1 1 8 HIS HB3 H -3.571 -4.694 -0.164 1.00 . A A . 8 HIS HB3 1 1 20 2958 1 1 8 HIS HD1 H -5.830 -3.397 0.824 1.00 . A A . 8 HIS HD1 1 1 20 2959 1 1 8 HIS HD2 H -2.677 -4.139 3.507 1.00 . A A . 8 HIS HD2 1 1 20 2960 1 1 8 HIS HE1 H -6.817 -3.365 3.165 1.00 . A A . 8 HIS HE1 1 1 20 2961 1 1 8 HIS N N -0.812 -3.473 1.296 1.00 . A A . 8 HIS N 1 1 20 2962 1 1 8 HIS ND1 N -5.309 -3.596 1.678 1.00 . A A . 8 HIS ND1 1 1 20 2963 1 1 8 HIS NE2 N -4.837 -3.890 3.797 1.00 . A A . 8 HIS NE2 1 1 20 2964 1 1 8 HIS O O -1.371 -6.429 -0.621 1.00 . A A . 8 HIS O 1 1 20 2965 1 1 9 LEU C C 1.499 -5.925 -2.014 1.00 . A A . 9 LEU C 1 1 20 2966 1 1 9 LEU CA C 0.295 -5.052 -2.356 1.00 . A A . 9 LEU CA 1 1 20 2967 1 1 9 LEU CB C 0.724 -3.916 -3.287 1.00 . A A . 9 LEU CB 1 1 20 2968 1 1 9 LEU CD1 C 0.099 -1.853 -4.566 1.00 . A A . 9 LEU CD1 1 1 20 2969 1 1 9 LEU CD2 C -1.000 -4.035 -5.103 1.00 . A A . 9 LEU CD2 1 1 20 2970 1 1 9 LEU CG C -0.405 -3.171 -4.000 1.00 . A A . 9 LEU CG 1 1 20 2971 1 1 9 LEU H H -0.138 -3.542 -0.892 1.00 . A A . 9 LEU H 1 1 20 2972 1 1 9 LEU HA H -0.435 -5.667 -2.872 1.00 . A A . 9 LEU HA 1 1 20 2973 1 1 9 LEU HB2 H 1.283 -3.195 -2.691 1.00 . A A . 9 LEU HB2 1 1 20 2974 1 1 9 LEU HB3 H 1.393 -4.324 -4.048 1.00 . A A . 9 LEU HB3 1 1 20 2975 1 1 9 LEU HD11 H -0.583 -1.489 -5.336 1.00 . A A . 9 LEU HD11 1 1 20 2976 1 1 9 LEU HD12 H 1.086 -1.999 -5.005 1.00 . A A . 9 LEU HD12 1 1 20 2977 1 1 9 LEU HD13 H 0.162 -1.110 -3.780 1.00 . A A . 9 LEU HD13 1 1 20 2978 1 1 9 LEU HD21 H -1.549 -4.871 -4.676 1.00 . A A . 9 LEU HD21 1 1 20 2979 1 1 9 LEU HD22 H -0.199 -4.414 -5.736 1.00 . A A . 9 LEU HD22 1 1 20 2980 1 1 9 LEU HD23 H -1.684 -3.440 -5.709 1.00 . A A . 9 LEU HD23 1 1 20 2981 1 1 9 LEU HG H -1.185 -2.958 -3.265 1.00 . A A . 9 LEU HG 1 1 20 2982 1 1 9 LEU N N -0.317 -4.512 -1.148 1.00 . A A . 9 LEU N 1 1 20 2983 1 1 9 LEU O O 1.606 -7.060 -2.478 1.00 . A A . 9 LEU O 1 1 20 2984 1 1 10 MET C C 3.346 -6.885 0.507 1.00 . A A . 10 MET C 1 1 20 2985 1 1 10 MET CA C 3.594 -6.121 -0.790 1.00 . A A . 10 MET CA 1 1 20 2986 1 1 10 MET CB C 4.771 -5.160 -0.614 1.00 . A A . 10 MET CB 1 1 20 2987 1 1 10 MET CE C 4.903 -5.472 -4.401 1.00 . A A . 10 MET CE 1 1 20 2988 1 1 10 MET CG C 5.101 -4.366 -1.868 1.00 . A A . 10 MET CG 1 1 20 2989 1 1 10 MET H H 2.255 -4.444 -0.848 1.00 . A A . 10 MET H 1 1 20 2990 1 1 10 MET HA H 3.858 -6.840 -1.569 1.00 . A A . 10 MET HA 1 1 20 2991 1 1 10 MET HB2 H 4.534 -4.469 0.196 1.00 . A A . 10 MET HB2 1 1 20 2992 1 1 10 MET HB3 H 5.653 -5.738 -0.336 1.00 . A A . 10 MET HB3 1 1 20 2993 1 1 10 MET HE1 H 4.773 -4.501 -4.880 1.00 . A A . 10 MET HE1 1 1 20 2994 1 1 10 MET HE2 H 3.946 -5.816 -4.011 1.00 . A A . 10 MET HE2 1 1 20 2995 1 1 10 MET HE3 H 5.276 -6.189 -5.130 1.00 . A A . 10 MET HE3 1 1 20 2996 1 1 10 MET HG2 H 4.165 -4.071 -2.340 1.00 . A A . 10 MET HG2 1 1 20 2997 1 1 10 MET HG3 H 5.654 -3.465 -1.591 1.00 . A A . 10 MET HG3 1 1 20 2998 1 1 10 MET N N 2.400 -5.389 -1.197 1.00 . A A . 10 MET N 1 1 20 2999 1 1 10 MET O O 3.576 -6.311 1.560 1.00 . A A . 10 MET O 1 1 20 3000 1 1 10 MET SD S 6.073 -5.314 -3.054 1.00 . A A . 10 MET SD 1 1 stop_ save_
Contact the webmaster for help, if required. Monday, May 20, 2024 7:46:44 PM GMT (wattos1)