NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
596082 | 2n0c | 25520 | cing | 4-filtered-FRED | STAR | entry | full | 73 |
data_FRED_restraints_with_modified_coordinates_PDB_code_2n0c # This FRED archive file contains, for PDB entry <2n0c>: # # - 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_2n0c _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 2n0c _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 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 QB . 2 ASN QB 1 1 1 1 2 1 1 3 HIS H . 3 HIS H 1 1 2 1 1 1 1 3 HIS H . 3 HIS H 1 1 2 1 2 1 1 4 TRP H . 4 TRP H 1 1 3 1 1 1 1 3 HIS HA . 3 HIS HA 1 1 3 1 2 1 1 4 TRP H . 4 TRP H 1 1 4 1 1 1 1 3 HIS HB2 . 3 HIS HB2 1 1 4 1 2 1 1 4 TRP H . 4 TRP H 1 1 5 1 1 1 1 3 HIS HB3 . 3 HIS HB3 1 1 5 1 2 1 1 4 TRP H . 4 TRP H 1 1 6 1 1 1 1 4 TRP H . 4 TRP H 1 1 6 1 2 1 1 4 TRP HB2 . 4 TRP HB2 1 1 7 1 1 1 1 4 TRP H . 4 TRP H 1 1 7 1 2 1 1 4 TRP QB . 4 TRP QB 1 1 8 1 1 1 1 4 TRP H . 4 TRP H 1 1 8 1 2 1 1 4 TRP HB3 . 4 TRP HB3 1 1 9 1 1 1 1 4 TRP H . 4 TRP H 1 1 9 1 2 1 1 4 TRP HD1 . 4 TRP HD1 1 1 10 1 1 1 1 4 TRP H . 4 TRP H 1 1 10 1 2 1 1 4 TRP HE3 . 4 TRP HE3 1 1 11 1 1 1 1 4 TRP H . 4 TRP H 1 1 11 1 2 1 1 5 ALA H . 5 ALA H 1 1 12 1 1 1 1 4 TRP HA . 4 TRP HA 1 1 12 1 2 1 1 4 TRP HD1 . 4 TRP HD1 1 1 13 1 1 1 1 4 TRP HA . 4 TRP HA 1 1 13 1 2 1 1 4 TRP HE3 . 4 TRP HE3 1 1 14 1 1 1 1 4 TRP HA . 4 TRP HA 1 1 14 1 2 1 1 5 ALA HA . 5 ALA HA 1 1 15 1 1 1 1 4 TRP HA . 4 TRP HA 1 1 15 1 2 1 1 5 ALA MB . 5 ALA QB 1 1 16 1 1 1 1 4 TRP QB . 4 TRP QB 1 1 16 1 2 1 1 4 TRP HD1 . 4 TRP HD1 1 1 17 1 1 1 1 4 TRP QB . 4 TRP QB 1 1 17 1 2 1 1 4 TRP HE3 . 4 TRP HE3 1 1 18 1 1 1 1 4 TRP QB . 4 TRP QB 1 1 18 1 2 1 1 5 ALA H . 5 ALA H 1 1 19 1 1 1 1 4 TRP HB2 . 4 TRP HB2 1 1 19 1 2 1 1 4 TRP HD1 . 4 TRP HD1 1 1 20 1 1 1 1 4 TRP HB2 . 4 TRP HB2 1 1 20 1 2 1 1 5 ALA H . 5 ALA H 1 1 21 1 1 1 1 4 TRP HB3 . 4 TRP HB3 1 1 21 1 2 1 1 4 TRP HD1 . 4 TRP HD1 1 1 22 1 1 1 1 4 TRP HB3 . 4 TRP HB3 1 1 22 1 2 1 1 5 ALA H . 5 ALA H 1 1 23 1 1 1 1 4 TRP HD1 . 4 TRP HD1 1 1 23 1 2 1 1 5 ALA H . 5 ALA H 1 1 24 1 1 1 1 4 TRP HE3 . 4 TRP HE3 1 1 24 1 2 1 1 5 ALA H . 5 ALA H 1 1 25 1 1 1 1 4 TRP HE3 . 4 TRP HE3 1 1 25 1 2 1 1 5 ALA HA . 5 ALA HA 1 1 26 1 1 1 1 5 ALA H . 5 ALA H 1 1 26 1 2 1 1 5 ALA MB . 5 ALA QB 1 1 27 1 1 1 1 5 ALA H . 5 ALA H 1 1 27 1 2 1 1 6 VAL H . 6 VAL H 1 1 28 1 1 1 1 5 ALA HA . 5 ALA HA 1 1 28 1 2 1 1 6 VAL H . 6 VAL H 1 1 29 1 1 1 1 5 ALA HA . 5 ALA HA 1 1 29 1 2 1 1 6 VAL HA . 6 VAL HA 1 1 30 1 1 1 1 5 ALA HA . 5 ALA HA 1 1 30 1 2 1 1 6 VAL HB . 6 VAL HB 1 1 31 1 1 1 1 5 ALA HA . 5 ALA HA 1 1 31 1 2 1 1 6 VAL QG . 6 VAL QQG 1 1 32 1 1 1 1 5 ALA HA . 5 ALA HA 1 1 32 1 2 1 1 8 HIS HE1 . 8 HIS HE1 1 1 33 1 1 1 1 5 ALA MB . 5 ALA QB 1 1 33 1 2 1 1 6 VAL H . 6 VAL H 1 1 34 1 1 1 1 5 ALA MB . 5 ALA QB 1 1 34 1 2 1 1 6 VAL HA . 6 VAL HA 1 1 35 1 1 1 1 5 ALA MB . 5 ALA QB 1 1 35 1 2 1 1 6 VAL HB . 6 VAL HB 1 1 36 1 1 1 1 5 ALA MB . 5 ALA QB 1 1 36 1 2 1 1 6 VAL MG1 . 6 VAL QG1 1 1 37 1 1 1 1 5 ALA MB . 5 ALA QB 1 1 37 1 2 1 1 6 VAL QG . 6 VAL QQG 1 1 38 1 1 1 1 5 ALA MB . 5 ALA QB 1 1 38 1 2 1 1 6 VAL MG2 . 6 VAL QG2 1 1 39 1 1 1 1 5 ALA MB . 5 ALA QB 1 1 39 1 2 1 1 8 HIS HE1 . 8 HIS HE1 1 1 40 1 1 1 1 6 VAL H . 6 VAL H 1 1 40 1 2 1 1 6 VAL HB . 6 VAL HB 1 1 41 1 1 1 1 6 VAL H . 6 VAL H 1 1 41 1 2 1 1 6 VAL MG1 . 6 VAL QG1 1 1 42 1 1 1 1 6 VAL H . 6 VAL H 1 1 42 1 2 1 1 6 VAL QG . 6 VAL QQG 1 1 43 1 1 1 1 6 VAL H . 6 VAL H 1 1 43 1 2 1 1 6 VAL MG2 . 6 VAL QG2 1 1 44 1 1 1 1 6 VAL H . 6 VAL H 1 1 44 1 2 1 1 7 GLY H . 7 GLY H 1 1 45 1 1 1 1 6 VAL HA . 6 VAL HA 1 1 45 1 2 1 1 6 VAL MG1 . 6 VAL QG1 1 1 46 1 1 1 1 6 VAL HA . 6 VAL HA 1 1 46 1 2 1 1 6 VAL MG2 . 6 VAL QG2 1 1 47 1 1 1 1 6 VAL HA . 6 VAL HA 1 1 47 1 2 1 1 7 GLY H . 7 GLY H 1 1 48 1 1 1 1 6 VAL HB . 6 VAL HB 1 1 48 1 2 1 1 7 GLY H . 7 GLY H 1 1 49 1 1 1 1 6 VAL QG . 6 VAL QQG 1 1 49 1 2 1 1 7 GLY H . 7 GLY H 1 1 50 1 1 1 1 6 VAL MG1 . 6 VAL QG1 1 1 50 1 2 1 1 7 GLY H . 7 GLY H 1 1 51 1 1 1 1 6 VAL MG2 . 6 VAL QG2 1 1 51 1 2 1 1 7 GLY H . 7 GLY H 1 1 52 1 1 1 1 7 GLY H . 7 GLY H 1 1 52 1 2 1 1 8 HIS H . 8 HIS H 1 1 53 1 1 1 1 7 GLY H . 7 GLY H 1 1 53 1 2 1 1 8 HIS HA . 8 HIS HA 1 1 54 1 1 1 1 7 GLY QA . 7 GLY QA 1 1 54 1 2 1 1 8 HIS H . 8 HIS H 1 1 55 1 1 1 1 8 HIS H . 8 HIS H 1 1 55 1 2 1 1 8 HIS HB2 . 8 HIS HB2 1 1 56 1 1 1 1 8 HIS H . 8 HIS H 1 1 56 1 2 1 1 8 HIS QB . 8 HIS QB 1 1 57 1 1 1 1 8 HIS H . 8 HIS H 1 1 57 1 2 1 1 8 HIS HB3 . 8 HIS HB3 1 1 58 1 1 1 1 8 HIS H . 8 HIS H 1 1 58 1 2 1 1 8 HIS HD2 . 8 HIS HD2 1 1 59 1 1 1 1 8 HIS H . 8 HIS H 1 1 59 1 2 1 1 9 LEU H . 9 LEU H 1 1 60 1 1 1 1 8 HIS HA . 8 HIS HA 1 1 60 1 2 1 1 8 HIS HE1 . 8 HIS HE1 1 1 61 1 1 1 1 8 HIS HA . 8 HIS HA 1 1 61 1 2 1 1 9 LEU H . 9 LEU H 1 1 62 1 1 1 1 8 HIS QB . 8 HIS QB 1 1 62 1 2 1 1 9 LEU H . 9 LEU H 1 1 63 1 1 1 1 8 HIS HB2 . 8 HIS HB2 1 1 63 1 2 1 1 9 LEU H . 9 LEU H 1 1 64 1 1 1 1 8 HIS HB3 . 8 HIS HB3 1 1 64 1 2 1 1 9 LEU H . 9 LEU H 1 1 65 1 1 1 1 9 LEU H . 9 LEU H 1 1 65 1 2 1 1 9 LEU HB2 . 9 LEU HB2 1 1 66 1 1 1 1 9 LEU H . 9 LEU H 1 1 66 1 2 1 1 9 LEU QB . 9 LEU QB 1 1 67 1 1 1 1 9 LEU H . 9 LEU H 1 1 67 1 2 1 1 9 LEU HB3 . 9 LEU HB3 1 1 68 1 1 1 1 9 LEU H . 9 LEU H 1 1 68 1 2 1 1 9 LEU MD1 . 9 LEU QD1 1 1 69 1 1 1 1 9 LEU H . 9 LEU H 1 1 69 1 2 1 1 9 LEU MD2 . 9 LEU QD2 1 1 70 1 1 1 1 9 LEU HA . 9 LEU HA 1 1 70 1 2 1 1 10 MET H . 10 MET H 1 1 71 1 1 1 1 9 LEU QB . 9 LEU QB 1 1 71 1 2 1 1 10 MET H . 10 MET H 1 1 72 1 1 1 1 9 LEU MD1 . 9 LEU QD1 1 1 72 1 2 1 1 10 MET H . 10 MET H 1 1 73 1 1 1 1 9 LEU MD2 . 9 LEU QD2 1 1 73 1 2 1 1 10 MET H . 10 MET H 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 . . . . . . . 4.98 1 1 2 1 . . . . . . . 4.11 1 1 3 1 . . . . . . . 2.95 1 1 4 1 . . . . . . . 4.66 1 1 5 1 . . . . . . . 4.66 1 1 6 1 . . . . . . . 3.56 1 1 7 1 . . . . . . . 3.05 1 1 8 1 . . . . . . . 3.56 1 1 9 1 . . . . . . . 4.32 1 1 10 1 . . . . . . . 4.95 1 1 11 1 . . . . . . . 3.47 1 1 12 1 . . . . . . . 4.46 1 1 13 1 . . . . . . . 3.89 1 1 14 1 . . . . . . . 4.7 1 1 15 1 . . . . . . . 4.67 1 1 16 1 . . . . . . . 3.28 1 1 17 1 . . . . . . . 3.58 1 1 18 1 . . . . . . . 3.49 1 1 19 1 . . . . . . . 3.77 1 1 20 1 . . . . . . . 3.99 1 1 21 1 . . . . . . . 3.77 1 1 22 1 . . . . . . . 3.99 1 1 23 1 . . . . . . . 5.38 1 1 24 1 . . . . . . . 4.75 1 1 25 1 . . . . . . . 5.04 1 1 26 1 . . . . . . . 3.3 1 1 27 1 . . . . . . . 4.1 1 1 28 1 . . . . . . . 2.82 1 1 29 1 . . . . . . . 4.6 1 1 30 1 . . . . . . . 5.07 1 1 31 1 . . . . . . . 5.44 1 1 32 1 . . . . . . . 5.07 1 1 33 1 . . . . . . . 3.86 1 1 34 1 . . . . . . . 5.24 1 1 35 1 . . . . . . . 5.4 1 1 36 1 . . . . . . . 5.38 1 1 37 1 . . . . . . . 4.53 1 1 38 1 . . . . . . . 5.38 1 1 39 1 . . . . . . . 5.26 1 1 40 1 . . . . . . . 3.34 1 1 41 1 . . . . . . . 4.14 1 1 42 1 . . . . . . . 3.4 1 1 43 1 . . . . . . . 4.14 1 1 44 1 . . . . . . . 4.53 1 1 45 1 . . . . . . . 3.73 1 1 46 1 . . . . . . . 3.73 1 1 47 1 . . . . . . . 2.8 1 1 48 1 . . . . . . . 4.25 1 1 49 1 . . . . . . . 3.81 1 1 50 1 . . . . . . . 4.35 1 1 51 1 . . . . . . . 4.35 1 1 52 1 . . . . . . . 3.63 1 1 53 1 . . . . . . . 5.5 1 1 54 1 . . . . . . . 3.29 1 1 55 1 . . . . . . . 3.85 1 1 56 1 . . . . . . . 3.38 1 1 57 1 . . . . . . . 3.85 1 1 58 1 . . . . . . . 5.14 1 1 59 1 . . . . . . . 3.36 1 1 60 1 . . . . . . . 5.5 1 1 61 1 . . . . . . . 3.07 1 1 62 1 . . . . . . . 4.13 1 1 63 1 . . . . . . . 4.8 1 1 64 1 . . . . . . . 4.8 1 1 65 1 . . . . . . . 3.9 1 1 66 1 . . . . . . . 3.34 1 1 67 1 . . . . . . . 3.9 1 1 68 1 . . . . . . . 5.5 1 1 69 1 . . . . . . . 5.5 1 1 70 1 . . . . . . . 3.53 1 1 71 1 . . . . . . . 4.14 1 1 72 1 . . . . . . . 5.5 1 1 73 1 . . . . . . . 5.5 1 1 stop_ save_ save_conformer_family_coord_set_1 _Conformer_family_coord_set.Sf_category conformer_family_coord_set _Conformer_family_coord_set.Entry_ID 1 _Conformer_family_coord_set.ID 1 loop_ _Atom_site.Model_ID _Atom_site.ID _Atom_site.Label_entity_assembly_ID _Atom_site.Label_entity_ID _Atom_site.Label_comp_index_ID _Atom_site.Label_comp_ID _Atom_site.Label_atom_ID _Atom_site.Type_symbol _Atom_site.Cartn_x _Atom_site.Cartn_y _Atom_site.Cartn_z _Atom_site.Occupancy _Atom_site.Uncertainty _Atom_site.PDBX_label_asym_ID _Atom_site.PDB_strand_ID _Atom_site.PDB_ins_code _Atom_site.PDB_residue_no _Atom_site.PDB_residue_name _Atom_site.PDB_atom_name _Atom_site.Entry_ID _Atom_site.Conformer_family_coord_set_ID 1 1 1 1 1 GLY C C -8.128 5.588 2.211 1.00 . A A . 1 GLY C 1 1 1 2 1 1 1 GLY CA C -9.051 5.601 3.414 1.00 . A A . 1 GLY CA 1 1 1 3 1 1 1 GLY H1 H -10.425 4.099 3.188 1.00 . A A . 1 GLY H1 1 1 1 4 1 1 1 GLY H2 H -9.776 4.230 4.753 1.00 . A A . 1 GLY H2 1 1 1 5 1 1 1 GLY H3 H -8.847 3.566 3.495 1.00 . A A . 1 GLY H3 1 1 1 6 1 1 1 GLY HA2 H -9.892 6.262 3.206 1.00 . A A . 1 GLY HA2 1 1 1 7 1 1 1 GLY HA3 H -8.503 5.986 4.274 1.00 . A A . 1 GLY HA3 1 1 1 8 1 1 1 GLY N N -9.561 4.281 3.736 1.00 . A A . 1 GLY N 1 1 1 9 1 1 1 GLY O O -8.535 5.215 1.113 1.00 . A A . 1 GLY O 1 1 1 10 1 1 2 ASN C C -5.111 4.729 1.281 1.00 . A A . 2 ASN C 1 1 1 11 1 1 2 ASN CA C -5.899 6.035 1.344 1.00 . A A . 2 ASN CA 1 1 1 12 1 1 2 ASN CB C -4.940 7.213 1.539 1.00 . A A . 2 ASN CB 1 1 1 13 1 1 2 ASN CG C -5.559 8.535 1.129 1.00 . A A . 2 ASN CG 1 1 1 14 1 1 2 ASN H H -6.605 6.301 3.354 1.00 . A A . 2 ASN H 1 1 1 15 1 1 2 ASN HA H -6.414 6.171 0.390 1.00 . A A . 2 ASN HA 1 1 1 16 1 1 2 ASN HB2 H -4.658 7.266 2.590 1.00 . A A . 2 ASN HB2 1 1 1 17 1 1 2 ASN HB3 H -4.041 7.054 0.938 1.00 . A A . 2 ASN HB3 1 1 1 18 1 1 2 ASN HD21 H -7.035 8.320 2.528 1.00 . A A . 2 ASN HD21 1 1 1 19 1 1 2 ASN HD22 H -7.108 9.784 1.541 1.00 . A A . 2 ASN HD22 1 1 1 20 1 1 2 ASN N N -6.881 5.999 2.420 1.00 . A A . 2 ASN N 1 1 1 21 1 1 2 ASN ND2 N -6.652 8.905 1.785 1.00 . A A . 2 ASN ND2 1 1 1 22 1 1 2 ASN O O -4.975 4.026 2.282 1.00 . A A . 2 ASN O 1 1 1 23 1 1 2 ASN OD1 O -5.060 9.215 0.232 1.00 . A A . 2 ASN OD1 1 1 1 24 1 1 3 HIS C C -2.326 3.464 0.075 1.00 . A A . 3 HIS C 1 1 1 25 1 1 3 HIS CA C -3.818 3.193 -0.094 1.00 . A A . 3 HIS CA 1 1 1 26 1 1 3 HIS CB C -4.087 2.604 -1.482 1.00 . A A . 3 HIS CB 1 1 1 27 1 1 3 HIS CD2 C -5.751 0.672 -1.972 1.00 . A A . 3 HIS CD2 1 1 1 28 1 1 3 HIS CE1 C -7.603 1.748 -1.519 1.00 . A A . 3 HIS CE1 1 1 1 29 1 1 3 HIS CG C -5.433 1.944 -1.599 1.00 . A A . 3 HIS CG 1 1 1 30 1 1 3 HIS H H -4.740 5.037 -0.695 1.00 . A A . 3 HIS H 1 1 1 31 1 1 3 HIS HA H -4.121 2.451 0.647 1.00 . A A . 3 HIS HA 1 1 1 32 1 1 3 HIS HB2 H -4.038 3.412 -2.210 1.00 . A A . 3 HIS HB2 1 1 1 33 1 1 3 HIS HB3 H -3.313 1.870 -1.718 1.00 . A A . 3 HIS HB3 1 1 1 34 1 1 3 HIS HD1 H -6.711 3.579 -1.012 1.00 . A A . 3 HIS HD1 1 1 1 35 1 1 3 HIS HD2 H -5.086 -0.028 -2.456 1.00 . A A . 3 HIS HD2 1 1 1 36 1 1 3 HIS HE1 H -8.649 1.977 -1.382 1.00 . A A . 3 HIS HE1 1 1 1 37 1 1 3 HIS N N -4.593 4.413 0.098 1.00 . A A . 3 HIS N 1 1 1 38 1 1 3 HIS ND1 N -6.615 2.609 -1.317 1.00 . A A . 3 HIS ND1 1 1 1 39 1 1 3 HIS NE2 N -7.130 0.566 -1.915 1.00 . A A . 3 HIS NE2 1 1 1 40 1 1 3 HIS O O -1.536 3.234 -0.841 1.00 . A A . 3 HIS O 1 1 1 41 1 1 4 TRP C C 0.337 3.055 1.248 1.00 . A A . 4 TRP C 1 1 1 42 1 1 4 TRP CA C -0.552 4.259 1.538 1.00 . A A . 4 TRP CA 1 1 1 43 1 1 4 TRP CB C -0.393 4.687 2.998 1.00 . A A . 4 TRP CB 1 1 1 44 1 1 4 TRP CD1 C -1.190 6.919 3.972 1.00 . A A . 4 TRP CD1 1 1 1 45 1 1 4 TRP CD2 C 0.538 7.096 2.558 1.00 . A A . 4 TRP CD2 1 1 1 46 1 1 4 TRP CE2 C 0.200 8.384 3.019 1.00 . A A . 4 TRP CE2 1 1 1 47 1 1 4 TRP CE3 C 1.597 6.959 1.657 1.00 . A A . 4 TRP CE3 1 1 1 48 1 1 4 TRP CG C -0.363 6.174 3.181 1.00 . A A . 4 TRP CG 1 1 1 49 1 1 4 TRP CH2 C 1.918 9.361 1.725 1.00 . A A . 4 TRP CH2 1 1 1 50 1 1 4 TRP CZ2 C 0.885 9.525 2.607 1.00 . A A . 4 TRP CZ2 1 1 1 51 1 1 4 TRP CZ3 C 2.276 8.092 1.250 1.00 . A A . 4 TRP CZ3 1 1 1 52 1 1 4 TRP H H -2.652 4.122 1.969 1.00 . A A . 4 TRP H 1 1 1 53 1 1 4 TRP HA H -0.241 5.079 0.891 1.00 . A A . 4 TRP HA 1 1 1 54 1 1 4 TRP HB2 H -1.237 4.296 3.562 1.00 . A A . 4 TRP HB2 1 1 1 55 1 1 4 TRP HB3 H 0.529 4.270 3.415 1.00 . A A . 4 TRP HB3 1 1 1 56 1 1 4 TRP HD1 H -1.988 6.521 4.582 1.00 . A A . 4 TRP HD1 1 1 1 57 1 1 4 TRP HE1 H -1.314 9.021 4.365 1.00 . A A . 4 TRP HE1 1 1 1 58 1 1 4 TRP HE3 H 1.882 5.985 1.290 1.00 . A A . 4 TRP HE3 1 1 1 59 1 1 4 TRP HH2 H 2.467 10.230 1.389 1.00 . A A . 4 TRP HH2 1 1 1 60 1 1 4 TRP HZ2 H 0.611 10.505 2.970 1.00 . A A . 4 TRP HZ2 1 1 1 61 1 1 4 TRP HZ3 H 3.096 7.993 0.554 1.00 . A A . 4 TRP HZ3 1 1 1 62 1 1 4 TRP N N -1.949 3.956 1.250 1.00 . A A . 4 TRP N 1 1 1 63 1 1 4 TRP NE1 N -0.856 8.250 3.879 1.00 . A A . 4 TRP NE1 1 1 1 64 1 1 4 TRP O O 1.065 3.034 0.256 1.00 . A A . 4 TRP O 1 1 1 65 1 1 5 ALA C C 0.185 -0.372 1.728 1.00 . A A . 5 ALA C 1 1 1 66 1 1 5 ALA CA C 1.073 0.846 1.957 1.00 . A A . 5 ALA CA 1 1 1 67 1 1 5 ALA CB C 1.962 0.632 3.173 1.00 . A A . 5 ALA CB 1 1 1 68 1 1 5 ALA H H -0.346 2.136 2.927 1.00 . A A . 5 ALA H 1 1 1 69 1 1 5 ALA HA H 1.724 0.950 1.085 1.00 . A A . 5 ALA HA 1 1 1 70 1 1 5 ALA HB1 H 1.336 0.434 4.042 1.00 . A A . 5 ALA HB1 1 1 1 71 1 1 5 ALA HB2 H 2.558 1.528 3.349 1.00 . A A . 5 ALA HB2 1 1 1 72 1 1 5 ALA HB3 H 2.623 -0.217 3.001 1.00 . A A . 5 ALA HB3 1 1 1 73 1 1 5 ALA N N 0.274 2.055 2.121 1.00 . A A . 5 ALA N 1 1 1 74 1 1 5 ALA O O -0.271 -1.008 2.679 1.00 . A A . 5 ALA O 1 1 1 75 1 1 6 VAL C C -0.442 -2.457 -1.208 1.00 . A A . 6 VAL C 1 1 1 76 1 1 6 VAL CA C -0.894 -1.835 0.106 1.00 . A A . 6 VAL CA 1 1 1 77 1 1 6 VAL CB C -2.373 -1.433 -0.007 1.00 . A A . 6 VAL CB 1 1 1 78 1 1 6 VAL CG1 C -3.225 -2.635 -0.392 1.00 . A A . 6 VAL CG1 1 1 1 79 1 1 6 VAL CG2 C -2.863 -0.819 1.296 1.00 . A A . 6 VAL CG2 1 1 1 80 1 1 6 VAL H H 0.351 -0.127 -0.283 1.00 . A A . 6 VAL H 1 1 1 81 1 1 6 VAL HA H -0.812 -2.593 0.888 1.00 . A A . 6 VAL HA 1 1 1 82 1 1 6 VAL HB H -2.462 -0.686 -0.798 1.00 . A A . 6 VAL HB 1 1 1 83 1 1 6 VAL HG11 H -3.013 -2.929 -1.419 1.00 . A A . 6 VAL HG11 1 1 1 84 1 1 6 VAL HG12 H -4.282 -2.383 -0.301 1.00 . A A . 6 VAL HG12 1 1 1 85 1 1 6 VAL HG13 H -2.990 -3.464 0.277 1.00 . A A . 6 VAL HG13 1 1 1 86 1 1 6 VAL HG21 H -3.942 -0.675 1.255 1.00 . A A . 6 VAL HG21 1 1 1 87 1 1 6 VAL HG22 H -2.378 0.144 1.455 1.00 . A A . 6 VAL HG22 1 1 1 88 1 1 6 VAL HG23 H -2.616 -1.490 2.119 1.00 . A A . 6 VAL HG23 1 1 1 89 1 1 6 VAL N N -0.059 -0.691 0.461 1.00 . A A . 6 VAL N 1 1 1 90 1 1 6 VAL O O -0.271 -1.762 -2.211 1.00 . A A . 6 VAL O 1 1 1 91 1 1 7 GLY C C 1.641 -4.232 -2.716 1.00 . A A . 7 GLY C 1 1 1 92 1 1 7 GLY CA C 0.177 -4.468 -2.401 1.00 . A A . 7 GLY CA 1 1 1 93 1 1 7 GLY H H -0.411 -4.300 -0.343 1.00 . A A . 7 GLY H 1 1 1 94 1 1 7 GLY HA2 H 0.017 -5.538 -2.262 1.00 . A A . 7 GLY HA2 1 1 1 95 1 1 7 GLY HA3 H -0.425 -4.129 -3.244 1.00 . A A . 7 GLY HA3 1 1 1 96 1 1 7 GLY N N -0.252 -3.773 -1.201 1.00 . A A . 7 GLY N 1 1 1 97 1 1 7 GLY O O 1.976 -3.425 -3.584 1.00 . A A . 7 GLY O 1 1 1 98 1 1 8 HIS C C 4.579 -6.141 -2.594 1.00 . A A . 8 HIS C 1 1 1 99 1 1 8 HIS CA C 3.955 -4.801 -2.216 1.00 . A A . 8 HIS CA 1 1 1 100 1 1 8 HIS CB C 4.624 -4.253 -0.953 1.00 . A A . 8 HIS CB 1 1 1 101 1 1 8 HIS CD2 C 3.489 -2.722 0.812 1.00 . A A . 8 HIS CD2 1 1 1 102 1 1 8 HIS CE1 C 3.184 -0.970 -0.462 1.00 . A A . 8 HIS CE1 1 1 1 103 1 1 8 HIS CG C 3.973 -3.001 -0.430 1.00 . A A . 8 HIS CG 1 1 1 104 1 1 8 HIS H H 2.179 -5.592 -1.303 1.00 . A A . 8 HIS H 1 1 1 105 1 1 8 HIS HA H 4.148 -4.098 -3.029 1.00 . A A . 8 HIS HA 1 1 1 106 1 1 8 HIS HB2 H 4.579 -5.018 -0.180 1.00 . A A . 8 HIS HB2 1 1 1 107 1 1 8 HIS HB3 H 5.670 -4.038 -1.175 1.00 . A A . 8 HIS HB3 1 1 1 108 1 1 8 HIS HD1 H 4.027 -1.779 -2.205 1.00 . A A . 8 HIS HD1 1 1 1 109 1 1 8 HIS HD2 H 3.683 -3.295 1.707 1.00 . A A . 8 HIS HD2 1 1 1 110 1 1 8 HIS HE1 H 2.901 0.015 -0.801 1.00 . A A . 8 HIS HE1 1 1 1 111 1 1 8 HIS N N 2.518 -4.938 -2.008 1.00 . A A . 8 HIS N 1 1 1 112 1 1 8 HIS ND1 N 3.772 -1.882 -1.222 1.00 . A A . 8 HIS ND1 1 1 1 113 1 1 8 HIS NE2 N 2.993 -1.432 0.774 1.00 . A A . 8 HIS NE2 1 1 1 114 1 1 8 HIS O O 5.681 -6.471 -2.153 1.00 . A A . 8 HIS O 1 1 1 115 1 1 9 LEU C C 4.766 -8.176 -5.320 1.00 . A A . 9 LEU C 1 1 1 116 1 1 9 LEU CA C 4.353 -8.213 -3.852 1.00 . A A . 9 LEU CA 1 1 1 117 1 1 9 LEU CB C 3.274 -9.277 -3.641 1.00 . A A . 9 LEU CB 1 1 1 118 1 1 9 LEU CD1 C 1.622 -10.194 -1.994 1.00 . A A . 9 LEU CD1 1 1 1 119 1 1 9 LEU CD2 C 4.031 -10.848 -1.840 1.00 . A A . 9 LEU CD2 1 1 1 120 1 1 9 LEU CG C 3.058 -9.735 -2.198 1.00 . A A . 9 LEU CG 1 1 1 121 1 1 9 LEU H H 2.964 -6.579 -3.748 1.00 . A A . 9 LEU H 1 1 1 122 1 1 9 LEU HA H 5.222 -8.503 -3.257 1.00 . A A . 9 LEU HA 1 1 1 123 1 1 9 LEU HB2 H 2.338 -8.860 -4.018 1.00 . A A . 9 LEU HB2 1 1 1 124 1 1 9 LEU HB3 H 3.523 -10.156 -4.247 1.00 . A A . 9 LEU HB3 1 1 1 125 1 1 9 LEU HD11 H 0.938 -9.364 -2.166 1.00 . A A . 9 LEU HD11 1 1 1 126 1 1 9 LEU HD12 H 1.500 -10.560 -0.974 1.00 . A A . 9 LEU HD12 1 1 1 127 1 1 9 LEU HD13 H 1.402 -10.998 -2.698 1.00 . A A . 9 LEU HD13 1 1 1 128 1 1 9 LEU HD21 H 3.791 -11.732 -2.431 1.00 . A A . 9 LEU HD21 1 1 1 129 1 1 9 LEU HD22 H 3.940 -11.084 -0.780 1.00 . A A . 9 LEU HD22 1 1 1 130 1 1 9 LEU HD23 H 5.052 -10.535 -2.055 1.00 . A A . 9 LEU HD23 1 1 1 131 1 1 9 LEU HG H 3.244 -8.882 -1.543 1.00 . A A . 9 LEU HG 1 1 1 132 1 1 9 LEU N N 3.869 -6.908 -3.414 1.00 . A A . 9 LEU N 1 1 1 133 1 1 9 LEU O O 3.962 -7.848 -6.193 1.00 . A A . 9 LEU O 1 1 1 134 1 1 10 MET C C 6.066 -9.761 -7.702 1.00 . A A . 10 MET C 1 1 1 135 1 1 10 MET CA C 6.541 -8.524 -6.947 1.00 . A A . 10 MET CA 1 1 1 136 1 1 10 MET CB C 8.071 -8.477 -6.935 1.00 . A A . 10 MET CB 1 1 1 137 1 1 10 MET CE C 10.659 -8.167 -4.682 1.00 . A A . 10 MET CE 1 1 1 138 1 1 10 MET CG C 8.634 -7.209 -6.313 1.00 . A A . 10 MET CG 1 1 1 139 1 1 10 MET H H 6.640 -8.782 -4.816 1.00 . A A . 10 MET H 1 1 1 140 1 1 10 MET HA H 6.179 -7.636 -7.467 1.00 . A A . 10 MET HA 1 1 1 141 1 1 10 MET HB2 H 8.440 -9.333 -6.370 1.00 . A A . 10 MET HB2 1 1 1 142 1 1 10 MET HB3 H 8.432 -8.549 -7.961 1.00 . A A . 10 MET HB3 1 1 1 143 1 1 10 MET HE1 H 10.078 -7.702 -3.884 1.00 . A A . 10 MET HE1 1 1 1 144 1 1 10 MET HE2 H 11.714 -8.174 -4.407 1.00 . A A . 10 MET HE2 1 1 1 145 1 1 10 MET HE3 H 10.315 -9.191 -4.831 1.00 . A A . 10 MET HE3 1 1 1 146 1 1 10 MET HG2 H 8.325 -6.356 -6.916 1.00 . A A . 10 MET HG2 1 1 1 147 1 1 10 MET HG3 H 8.219 -7.104 -5.309 1.00 . A A . 10 MET HG3 1 1 1 148 1 1 10 MET N N 6.024 -8.515 -5.584 1.00 . A A . 10 MET N 1 1 1 149 1 1 10 MET O O 4.908 -10.112 -7.551 1.00 . A A . 10 MET O 1 1 1 150 1 1 10 MET SD S 10.433 -7.234 -6.194 1.00 . A A . 10 MET SD 1 1 2 151 1 1 1 GLY C C -6.695 1.669 5.423 1.00 . A A . 1 GLY C 1 1 2 152 1 1 1 GLY CA C -6.730 0.750 6.628 1.00 . A A . 1 GLY CA 1 1 2 153 1 1 1 GLY H1 H -8.476 -0.308 6.788 1.00 . A A . 1 GLY H1 1 1 2 154 1 1 1 GLY H2 H -8.663 1.380 6.859 1.00 . A A . 1 GLY H2 1 1 2 155 1 1 1 GLY H3 H -8.036 0.533 8.192 1.00 . A A . 1 GLY H3 1 1 2 156 1 1 1 GLY HA2 H -6.097 1.171 7.408 1.00 . A A . 1 GLY HA2 1 1 2 157 1 1 1 GLY HA3 H -6.335 -0.224 6.340 1.00 . A A . 1 GLY HA3 1 1 2 158 1 1 1 GLY N N -8.071 0.576 7.154 1.00 . A A . 1 GLY N 1 1 2 159 1 1 1 GLY O O -7.552 1.584 4.545 1.00 . A A . 1 GLY O 1 1 2 160 1 1 2 ASN C C -4.896 2.823 3.075 1.00 . A A . 2 ASN C 1 1 2 161 1 1 2 ASN CA C -5.560 3.491 4.276 1.00 . A A . 2 ASN CA 1 1 2 162 1 1 2 ASN CB C -4.742 4.708 4.715 1.00 . A A . 2 ASN CB 1 1 2 163 1 1 2 ASN CG C -5.573 5.718 5.481 1.00 . A A . 2 ASN CG 1 1 2 164 1 1 2 ASN H H -5.022 2.571 6.142 1.00 . A A . 2 ASN H 1 1 2 165 1 1 2 ASN HA H -6.551 3.835 3.973 1.00 . A A . 2 ASN HA 1 1 2 166 1 1 2 ASN HB2 H -3.933 4.368 5.360 1.00 . A A . 2 ASN HB2 1 1 2 167 1 1 2 ASN HB3 H -4.313 5.199 3.838 1.00 . A A . 2 ASN HB3 1 1 2 168 1 1 2 ASN HD21 H -6.808 5.977 3.872 1.00 . A A . 2 ASN HD21 1 1 2 169 1 1 2 ASN HD22 H -7.199 6.926 5.310 1.00 . A A . 2 ASN HD22 1 1 2 170 1 1 2 ASN N N -5.701 2.551 5.382 1.00 . A A . 2 ASN N 1 1 2 171 1 1 2 ASN ND2 N -6.606 6.245 4.835 1.00 . A A . 2 ASN ND2 1 1 2 172 1 1 2 ASN O O -4.502 1.658 3.138 1.00 . A A . 2 ASN O 1 1 2 173 1 1 2 ASN OD1 O -5.289 6.021 6.640 1.00 . A A . 2 ASN OD1 1 1 2 174 1 1 3 HIS C C -2.711 3.532 0.645 1.00 . A A . 3 HIS C 1 1 2 175 1 1 3 HIS CA C -4.155 3.052 0.768 1.00 . A A . 3 HIS CA 1 1 2 176 1 1 3 HIS CB C -4.954 3.485 -0.464 1.00 . A A . 3 HIS CB 1 1 2 177 1 1 3 HIS CD2 C -4.441 2.648 -2.868 1.00 . A A . 3 HIS CD2 1 1 2 178 1 1 3 HIS CE1 C -5.147 0.590 -2.626 1.00 . A A . 3 HIS CE1 1 1 2 179 1 1 3 HIS CG C -4.896 2.493 -1.592 1.00 . A A . 3 HIS CG 1 1 2 180 1 1 3 HIS H H -5.119 4.529 1.993 1.00 . A A . 3 HIS H 1 1 2 181 1 1 3 HIS HA H -4.149 1.958 0.807 1.00 . A A . 3 HIS HA 1 1 2 182 1 1 3 HIS HB2 H -5.996 3.595 -0.168 1.00 . A A . 3 HIS HB2 1 1 2 183 1 1 3 HIS HB3 H -4.589 4.453 -0.817 1.00 . A A . 3 HIS HB3 1 1 2 184 1 1 3 HIS HD1 H -5.736 0.764 -0.620 1.00 . A A . 3 HIS HD1 1 1 2 185 1 1 3 HIS HD2 H -4.231 3.591 -3.352 1.00 . A A . 3 HIS HD2 1 1 2 186 1 1 3 HIS HE1 H -5.433 -0.426 -2.844 1.00 . A A . 3 HIS HE1 1 1 2 187 1 1 3 HIS N N -4.773 3.570 1.983 1.00 . A A . 3 HIS N 1 1 2 188 1 1 3 HIS ND1 N -5.338 1.188 -1.459 1.00 . A A . 3 HIS ND1 1 1 2 189 1 1 3 HIS NE2 N -4.607 1.434 -3.509 1.00 . A A . 3 HIS NE2 1 1 2 190 1 1 3 HIS O O -2.183 3.663 -0.459 1.00 . A A . 3 HIS O 1 1 2 191 1 1 4 TRP C C 0.203 3.322 1.006 1.00 . A A . 4 TRP C 1 1 2 192 1 1 4 TRP CA C -0.699 4.258 1.803 1.00 . A A . 4 TRP CA 1 1 2 193 1 1 4 TRP CB C -0.195 4.366 3.244 1.00 . A A . 4 TRP CB 1 1 2 194 1 1 4 TRP CD1 C -0.932 6.131 4.950 1.00 . A A . 4 TRP CD1 1 1 2 195 1 1 4 TRP CD2 C 0.267 6.945 3.241 1.00 . A A . 4 TRP CD2 1 1 2 196 1 1 4 TRP CE2 C -0.073 8.009 4.100 1.00 . A A . 4 TRP CE2 1 1 2 197 1 1 4 TRP CE3 C 1.021 7.218 2.097 1.00 . A A . 4 TRP CE3 1 1 2 198 1 1 4 TRP CG C -0.292 5.753 3.803 1.00 . A A . 4 TRP CG 1 1 2 199 1 1 4 TRP CH2 C 1.055 9.561 2.720 1.00 . A A . 4 TRP CH2 1 1 2 200 1 1 4 TRP CZ2 C 0.316 9.322 3.848 1.00 . A A . 4 TRP CZ2 1 1 2 201 1 1 4 TRP CZ3 C 1.407 8.521 1.848 1.00 . A A . 4 TRP CZ3 1 1 2 202 1 1 4 TRP H H -2.573 3.658 2.666 1.00 . A A . 4 TRP H 1 1 2 203 1 1 4 TRP HA H -0.670 5.241 1.340 1.00 . A A . 4 TRP HA 1 1 2 204 1 1 4 TRP HB2 H -0.797 3.708 3.868 1.00 . A A . 4 TRP HB2 1 1 2 205 1 1 4 TRP HB3 H 0.849 4.043 3.302 1.00 . A A . 4 TRP HB3 1 1 2 206 1 1 4 TRP HD1 H -1.460 5.463 5.614 1.00 . A A . 4 TRP HD1 1 1 2 207 1 1 4 TRP HE1 H -1.187 8.028 5.909 1.00 . A A . 4 TRP HE1 1 1 2 208 1 1 4 TRP HE3 H 1.305 6.423 1.424 1.00 . A A . 4 TRP HE3 1 1 2 209 1 1 4 TRP HH2 H 1.371 10.570 2.501 1.00 . A A . 4 TRP HH2 1 1 2 210 1 1 4 TRP HZ2 H 0.046 10.125 4.517 1.00 . A A . 4 TRP HZ2 1 1 2 211 1 1 4 TRP HZ3 H 1.990 8.737 0.965 1.00 . A A . 4 TRP HZ3 1 1 2 212 1 1 4 TRP N N -2.081 3.791 1.784 1.00 . A A . 4 TRP N 1 1 2 213 1 1 4 TRP NE1 N -0.804 7.487 5.133 1.00 . A A . 4 TRP NE1 1 1 2 214 1 1 4 TRP O O 0.625 3.648 -0.103 1.00 . A A . 4 TRP O 1 1 2 215 1 1 5 ALA C C 0.560 -0.092 0.585 1.00 . A A . 5 ALA C 1 1 2 216 1 1 5 ALA CA C 1.343 1.174 0.918 1.00 . A A . 5 ALA CA 1 1 2 217 1 1 5 ALA CB C 2.541 0.840 1.794 1.00 . A A . 5 ALA CB 1 1 2 218 1 1 5 ALA H H 0.113 1.947 2.500 1.00 . A A . 5 ALA H 1 1 2 219 1 1 5 ALA HA H 1.723 1.585 -0.021 1.00 . A A . 5 ALA HA 1 1 2 220 1 1 5 ALA HB1 H 2.191 0.558 2.787 1.00 . A A . 5 ALA HB1 1 1 2 221 1 1 5 ALA HB2 H 3.191 1.712 1.872 1.00 . A A . 5 ALA HB2 1 1 2 222 1 1 5 ALA HB3 H 3.096 0.010 1.357 1.00 . A A . 5 ALA HB3 1 1 2 223 1 1 5 ALA N N 0.493 2.158 1.577 1.00 . A A . 5 ALA N 1 1 2 224 1 1 5 ALA O O 0.308 -0.925 1.455 1.00 . A A . 5 ALA O 1 1 2 225 1 1 6 VAL C C 0.190 -2.169 -2.194 1.00 . A A . 6 VAL C 1 1 2 226 1 1 6 VAL CA C -0.578 -1.395 -1.129 1.00 . A A . 6 VAL CA 1 1 2 227 1 1 6 VAL CB C -1.951 -0.990 -1.691 1.00 . A A . 6 VAL CB 1 1 2 228 1 1 6 VAL CG1 C -1.787 -0.137 -2.942 1.00 . A A . 6 VAL CG1 1 1 2 229 1 1 6 VAL CG2 C -2.790 -2.225 -1.986 1.00 . A A . 6 VAL CG2 1 1 2 230 1 1 6 VAL H H 0.420 0.493 -1.356 1.00 . A A . 6 VAL H 1 1 2 231 1 1 6 VAL HA H -0.746 -2.069 -0.285 1.00 . A A . 6 VAL HA 1 1 2 232 1 1 6 VAL HB H -2.468 -0.394 -0.936 1.00 . A A . 6 VAL HB 1 1 2 233 1 1 6 VAL HG11 H -2.746 -0.026 -3.427 1.00 . A A . 6 VAL HG11 1 1 2 234 1 1 6 VAL HG12 H -1.100 -0.609 -3.638 1.00 . A A . 6 VAL HG12 1 1 2 235 1 1 6 VAL HG13 H -1.408 0.847 -2.669 1.00 . A A . 6 VAL HG13 1 1 2 236 1 1 6 VAL HG21 H -3.806 -1.933 -2.230 1.00 . A A . 6 VAL HG21 1 1 2 237 1 1 6 VAL HG22 H -2.802 -2.877 -1.113 1.00 . A A . 6 VAL HG22 1 1 2 238 1 1 6 VAL HG23 H -2.354 -2.758 -2.831 1.00 . A A . 6 VAL HG23 1 1 2 239 1 1 6 VAL N N 0.177 -0.230 -0.680 1.00 . A A . 6 VAL N 1 1 2 240 1 1 6 VAL O O 0.953 -1.590 -2.969 1.00 . A A . 6 VAL O 1 1 2 241 1 1 7 GLY C C 2.050 -4.721 -2.755 1.00 . A A . 7 GLY C 1 1 2 242 1 1 7 GLY CA C 0.660 -4.314 -3.207 1.00 . A A . 7 GLY CA 1 1 2 243 1 1 7 GLY H H -0.663 -3.906 -1.567 1.00 . A A . 7 GLY H 1 1 2 244 1 1 7 GLY HA2 H 0.068 -5.216 -3.364 1.00 . A A . 7 GLY HA2 1 1 2 245 1 1 7 GLY HA3 H 0.737 -3.777 -4.154 1.00 . A A . 7 GLY HA3 1 1 2 246 1 1 7 GLY N N -0.017 -3.481 -2.231 1.00 . A A . 7 GLY N 1 1 2 247 1 1 7 GLY O O 2.957 -4.872 -3.574 1.00 . A A . 7 GLY O 1 1 2 248 1 1 8 HIS C C 3.469 -6.731 -0.392 1.00 . A A . 8 HIS C 1 1 2 249 1 1 8 HIS CA C 3.507 -5.290 -0.890 1.00 . A A . 8 HIS CA 1 1 2 250 1 1 8 HIS CB C 3.898 -4.354 0.253 1.00 . A A . 8 HIS CB 1 1 2 251 1 1 8 HIS CD2 C 5.747 -2.921 -0.874 1.00 . A A . 8 HIS CD2 1 1 2 252 1 1 8 HIS CE1 C 4.871 -0.950 -0.495 1.00 . A A . 8 HIS CE1 1 1 2 253 1 1 8 HIS CG C 4.574 -3.090 -0.202 1.00 . A A . 8 HIS CG 1 1 2 254 1 1 8 HIS H H 1.427 -4.759 -0.821 1.00 . A A . 8 HIS H 1 1 2 255 1 1 8 HIS HA H 4.281 -5.221 -1.661 1.00 . A A . 8 HIS HA 1 1 2 256 1 1 8 HIS HB2 H 2.993 -4.077 0.789 1.00 . A A . 8 HIS HB2 1 1 2 257 1 1 8 HIS HB3 H 4.570 -4.867 0.946 1.00 . A A . 8 HIS HB3 1 1 2 258 1 1 8 HIS HD1 H 3.160 -1.629 0.509 1.00 . A A . 8 HIS HD1 1 1 2 259 1 1 8 HIS HD2 H 6.301 -3.696 -1.382 1.00 . A A . 8 HIS HD2 1 1 2 260 1 1 8 HIS HE1 H 4.722 0.120 -0.473 1.00 . A A . 8 HIS HE1 1 1 2 261 1 1 8 HIS N N 2.218 -4.898 -1.449 1.00 . A A . 8 HIS N 1 1 2 262 1 1 8 HIS ND1 N 4.035 -1.835 0.028 1.00 . A A . 8 HIS ND1 1 1 2 263 1 1 8 HIS NE2 N 5.921 -1.560 -1.052 1.00 . A A . 8 HIS NE2 1 1 2 264 1 1 8 HIS O O 4.218 -7.109 0.509 1.00 . A A . 8 HIS O 1 1 2 265 1 1 9 LEU C C 3.135 -9.846 -1.614 1.00 . A A . 9 LEU C 1 1 2 266 1 1 9 LEU CA C 2.452 -8.934 -0.600 1.00 . A A . 9 LEU CA 1 1 2 267 1 1 9 LEU CB C 0.974 -9.306 -0.476 1.00 . A A . 9 LEU CB 1 1 2 268 1 1 9 LEU CD1 C 0.901 -9.996 1.933 1.00 . A A . 9 LEU CD1 1 1 2 269 1 1 9 LEU CD2 C 0.527 -7.603 1.308 1.00 . A A . 9 LEU CD2 1 1 2 270 1 1 9 LEU CG C 0.329 -9.052 0.887 1.00 . A A . 9 LEU CG 1 1 2 271 1 1 9 LEU H H 1.996 -7.162 -1.726 1.00 . A A . 9 LEU H 1 1 2 272 1 1 9 LEU HA H 2.921 -9.094 0.370 1.00 . A A . 9 LEU HA 1 1 2 273 1 1 9 LEU HB2 H 0.428 -8.719 -1.211 1.00 . A A . 9 LEU HB2 1 1 2 274 1 1 9 LEU HB3 H 0.845 -10.364 -0.723 1.00 . A A . 9 LEU HB3 1 1 2 275 1 1 9 LEU HD11 H 0.187 -10.103 2.752 1.00 . A A . 9 LEU HD11 1 1 2 276 1 1 9 LEU HD12 H 1.834 -9.594 2.331 1.00 . A A . 9 LEU HD12 1 1 2 277 1 1 9 LEU HD13 H 1.087 -10.977 1.495 1.00 . A A . 9 LEU HD13 1 1 2 278 1 1 9 LEU HD21 H 0.038 -7.429 2.266 1.00 . A A . 9 LEU HD21 1 1 2 279 1 1 9 LEU HD22 H 0.097 -6.942 0.555 1.00 . A A . 9 LEU HD22 1 1 2 280 1 1 9 LEU HD23 H 1.593 -7.399 1.403 1.00 . A A . 9 LEU HD23 1 1 2 281 1 1 9 LEU HG H -0.744 -9.241 0.803 1.00 . A A . 9 LEU HG 1 1 2 282 1 1 9 LEU N N 2.589 -7.533 -0.984 1.00 . A A . 9 LEU N 1 1 2 283 1 1 9 LEU O O 2.482 -10.420 -2.484 1.00 . A A . 9 LEU O 1 1 2 284 1 1 10 MET C C 4.820 -12.284 -2.250 1.00 . A A . 10 MET C 1 1 2 285 1 1 10 MET CA C 5.223 -10.821 -2.397 1.00 . A A . 10 MET CA 1 1 2 286 1 1 10 MET CB C 6.720 -10.662 -2.126 1.00 . A A . 10 MET CB 1 1 2 287 1 1 10 MET CE C 9.465 -9.495 -4.236 1.00 . A A . 10 MET CE 1 1 2 288 1 1 10 MET CG C 7.275 -9.311 -2.547 1.00 . A A . 10 MET CG 1 1 2 289 1 1 10 MET H H 4.934 -9.478 -0.744 1.00 . A A . 10 MET H 1 1 2 290 1 1 10 MET HA H 5.027 -10.505 -3.421 1.00 . A A . 10 MET HA 1 1 2 291 1 1 10 MET HB2 H 6.895 -10.785 -1.058 1.00 . A A . 10 MET HB2 1 1 2 292 1 1 10 MET HB3 H 7.262 -11.441 -2.666 1.00 . A A . 10 MET HB3 1 1 2 293 1 1 10 MET HE1 H 9.336 -8.552 -4.768 1.00 . A A . 10 MET HE1 1 1 2 294 1 1 10 MET HE2 H 8.793 -10.243 -4.656 1.00 . A A . 10 MET HE2 1 1 2 295 1 1 10 MET HE3 H 10.496 -9.833 -4.339 1.00 . A A . 10 MET HE3 1 1 2 296 1 1 10 MET HG2 H 6.948 -9.105 -3.565 1.00 . A A . 10 MET HG2 1 1 2 297 1 1 10 MET HG3 H 6.874 -8.543 -1.883 1.00 . A A . 10 MET HG3 1 1 2 298 1 1 10 MET N N 4.452 -9.975 -1.493 1.00 . A A . 10 MET N 1 1 2 299 1 1 10 MET O O 4.634 -12.712 -1.123 1.00 . A A . 10 MET O 1 1 2 300 1 1 10 MET SD S 9.077 -9.256 -2.504 1.00 . A A . 10 MET SD 1 1 3 301 1 1 1 GLY C C -8.051 0.800 4.262 1.00 . A A . 1 GLY C 1 1 3 302 1 1 1 GLY CA C -8.535 -0.587 4.637 1.00 . A A . 1 GLY CA 1 1 3 303 1 1 1 GLY H1 H -8.002 -1.740 3.031 1.00 . A A . 1 GLY H1 1 1 3 304 1 1 1 GLY H2 H -7.906 -2.535 4.529 1.00 . A A . 1 GLY H2 1 1 3 305 1 1 1 GLY H3 H -6.730 -1.387 4.092 1.00 . A A . 1 GLY H3 1 1 3 306 1 1 1 GLY HA2 H -9.569 -0.699 4.312 1.00 . A A . 1 GLY HA2 1 1 3 307 1 1 1 GLY HA3 H -8.492 -0.693 5.721 1.00 . A A . 1 GLY HA3 1 1 3 308 1 1 1 GLY N N -7.737 -1.636 4.030 1.00 . A A . 1 GLY N 1 1 3 309 1 1 1 GLY O O -8.849 1.669 3.911 1.00 . A A . 1 GLY O 1 1 3 310 1 1 2 ASN C C -5.599 2.296 2.583 1.00 . A A . 2 ASN C 1 1 3 311 1 1 2 ASN CA C -6.152 2.301 4.005 1.00 . A A . 2 ASN CA 1 1 3 312 1 1 2 ASN CB C -5.039 2.647 4.996 1.00 . A A . 2 ASN CB 1 1 3 313 1 1 2 ASN CG C -5.579 3.207 6.298 1.00 . A A . 2 ASN CG 1 1 3 314 1 1 2 ASN H H -6.131 0.249 4.638 1.00 . A A . 2 ASN H 1 1 3 315 1 1 2 ASN HA H -6.920 3.076 4.070 1.00 . A A . 2 ASN HA 1 1 3 316 1 1 2 ASN HB2 H -4.467 1.745 5.206 1.00 . A A . 2 ASN HB2 1 1 3 317 1 1 2 ASN HB3 H -4.375 3.392 4.551 1.00 . A A . 2 ASN HB3 1 1 3 318 1 1 2 ASN HD21 H -4.548 1.802 7.371 1.00 . A A . 2 ASN HD21 1 1 3 319 1 1 2 ASN HD22 H -5.528 2.934 8.312 1.00 . A A . 2 ASN HD22 1 1 3 320 1 1 2 ASN N N -6.741 1.009 4.337 1.00 . A A . 2 ASN N 1 1 3 321 1 1 2 ASN ND2 N -5.186 2.598 7.411 1.00 . A A . 2 ASN ND2 1 1 3 322 1 1 2 ASN O O -5.700 1.298 1.868 1.00 . A A . 2 ASN O 1 1 3 323 1 1 2 ASN OD1 O -6.338 4.176 6.303 1.00 . A A . 2 ASN OD1 1 1 3 324 1 1 3 HIS C C -3.037 4.136 0.905 1.00 . A A . 3 HIS C 1 1 3 325 1 1 3 HIS CA C -4.442 3.545 0.842 1.00 . A A . 3 HIS CA 1 1 3 326 1 1 3 HIS CB C -5.336 4.417 -0.037 1.00 . A A . 3 HIS CB 1 1 3 327 1 1 3 HIS CD2 C -4.416 3.244 -2.164 1.00 . A A . 3 HIS CD2 1 1 3 328 1 1 3 HIS CE1 C -5.737 4.196 -3.627 1.00 . A A . 3 HIS CE1 1 1 3 329 1 1 3 HIS CG C -5.247 4.099 -1.505 1.00 . A A . 3 HIS CG 1 1 3 330 1 1 3 HIS H H -4.960 4.212 2.816 1.00 . A A . 3 HIS H 1 1 3 331 1 1 3 HIS HA H -4.372 2.555 0.386 1.00 . A A . 3 HIS HA 1 1 3 332 1 1 3 HIS HB2 H -6.368 4.269 0.277 1.00 . A A . 3 HIS HB2 1 1 3 333 1 1 3 HIS HB3 H -5.075 5.468 0.113 1.00 . A A . 3 HIS HB3 1 1 3 334 1 1 3 HIS HD1 H -6.805 5.378 -2.264 1.00 . A A . 3 HIS HD1 1 1 3 335 1 1 3 HIS HD2 H -3.493 2.845 -1.774 1.00 . A A . 3 HIS HD2 1 1 3 336 1 1 3 HIS HE1 H -6.208 4.470 -4.559 1.00 . A A . 3 HIS HE1 1 1 3 337 1 1 3 HIS N N -5.012 3.419 2.178 1.00 . A A . 3 HIS N 1 1 3 338 1 1 3 HIS ND1 N -6.074 4.691 -2.445 1.00 . A A . 3 HIS ND1 1 1 3 339 1 1 3 HIS NE2 N -4.739 3.317 -3.507 1.00 . A A . 3 HIS NE2 1 1 3 340 1 1 3 HIS O O -2.592 4.804 -0.028 1.00 . A A . 3 HIS O 1 1 3 341 1 1 4 TRP C C -0.009 3.674 1.275 1.00 . A A . 4 TRP C 1 1 3 342 1 1 4 TRP CA C -0.990 4.394 2.194 1.00 . A A . 4 TRP CA 1 1 3 343 1 1 4 TRP CB C -0.555 4.231 3.652 1.00 . A A . 4 TRP CB 1 1 3 344 1 1 4 TRP CD1 C -0.675 5.950 5.548 1.00 . A A . 4 TRP CD1 1 1 3 345 1 1 4 TRP CD2 C 0.592 6.581 3.812 1.00 . A A . 4 TRP CD2 1 1 3 346 1 1 4 TRP CE2 C 0.610 7.606 4.778 1.00 . A A . 4 TRP CE2 1 1 3 347 1 1 4 TRP CE3 C 1.320 6.754 2.632 1.00 . A A . 4 TRP CE3 1 1 3 348 1 1 4 TRP CG C -0.235 5.531 4.325 1.00 . A A . 4 TRP CG 1 1 3 349 1 1 4 TRP CH2 C 2.030 8.929 3.433 1.00 . A A . 4 TRP CH2 1 1 3 350 1 1 4 TRP CZ2 C 1.326 8.786 4.597 1.00 . A A . 4 TRP CZ2 1 1 3 351 1 1 4 TRP CZ3 C 2.031 7.925 2.454 1.00 . A A . 4 TRP CZ3 1 1 3 352 1 1 4 TRP H H -2.768 3.321 2.747 1.00 . A A . 4 TRP H 1 1 3 353 1 1 4 TRP HA H -0.987 5.453 1.935 1.00 . A A . 4 TRP HA 1 1 3 354 1 1 4 TRP HB2 H -1.370 3.764 4.203 1.00 . A A . 4 TRP HB2 1 1 3 355 1 1 4 TRP HB3 H 0.322 3.579 3.718 1.00 . A A . 4 TRP HB3 1 1 3 356 1 1 4 TRP HD1 H -1.324 5.383 6.200 1.00 . A A . 4 TRP HD1 1 1 3 357 1 1 4 TRP HE1 H -0.344 7.741 6.674 1.00 . A A . 4 TRP HE1 1 1 3 358 1 1 4 TRP HE3 H 1.326 5.983 1.876 1.00 . A A . 4 TRP HE3 1 1 3 359 1 1 4 TRP HH2 H 2.596 9.834 3.267 1.00 . A A . 4 TRP HH2 1 1 3 360 1 1 4 TRP HZ2 H 1.327 9.562 5.349 1.00 . A A . 4 TRP HZ2 1 1 3 361 1 1 4 TRP HZ3 H 2.595 8.063 1.544 1.00 . A A . 4 TRP HZ3 1 1 3 362 1 1 4 TRP N N -2.344 3.885 2.010 1.00 . A A . 4 TRP N 1 1 3 363 1 1 4 TRP NE1 N -0.172 7.197 5.827 1.00 . A A . 4 TRP NE1 1 1 3 364 1 1 4 TRP O O 0.555 4.276 0.361 1.00 . A A . 4 TRP O 1 1 3 365 1 1 5 ALA C C 0.490 0.228 0.377 1.00 . A A . 5 ALA C 1 1 3 366 1 1 5 ALA CA C 1.102 1.583 0.715 1.00 . A A . 5 ALA CA 1 1 3 367 1 1 5 ALA CB C 2.427 1.399 1.440 1.00 . A A . 5 ALA CB 1 1 3 368 1 1 5 ALA H H -0.305 1.941 2.297 1.00 . A A . 5 ALA H 1 1 3 369 1 1 5 ALA HA H 1.303 2.101 -0.226 1.00 . A A . 5 ALA HA 1 1 3 370 1 1 5 ALA HB1 H 3.058 0.707 0.881 1.00 . A A . 5 ALA HB1 1 1 3 371 1 1 5 ALA HB2 H 2.238 0.996 2.435 1.00 . A A . 5 ALA HB2 1 1 3 372 1 1 5 ALA HB3 H 2.933 2.360 1.526 1.00 . A A . 5 ALA HB3 1 1 3 373 1 1 5 ALA N N 0.190 2.383 1.522 1.00 . A A . 5 ALA N 1 1 3 374 1 1 5 ALA O O 0.286 -0.609 1.256 1.00 . A A . 5 ALA O 1 1 3 375 1 1 6 VAL C C 0.563 -1.992 -2.272 1.00 . A A . 6 VAL C 1 1 3 376 1 1 6 VAL CA C -0.393 -1.237 -1.358 1.00 . A A . 6 VAL CA 1 1 3 377 1 1 6 VAL CB C -1.718 -0.996 -2.101 1.00 . A A . 6 VAL CB 1 1 3 378 1 1 6 VAL CG1 C -1.479 -0.196 -3.373 1.00 . A A . 6 VAL CG1 1 1 3 379 1 1 6 VAL CG2 C -2.401 -2.318 -2.414 1.00 . A A . 6 VAL CG2 1 1 3 380 1 1 6 VAL H H 0.390 0.752 -1.585 1.00 . A A . 6 VAL H 1 1 3 381 1 1 6 VAL HA H -0.604 -1.876 -0.497 1.00 . A A . 6 VAL HA 1 1 3 382 1 1 6 VAL HB H -2.372 -0.414 -1.452 1.00 . A A . 6 VAL HB 1 1 3 383 1 1 6 VAL HG11 H -0.981 -0.833 -4.104 1.00 . A A . 6 VAL HG11 1 1 3 384 1 1 6 VAL HG12 H -0.849 0.665 -3.152 1.00 . A A . 6 VAL HG12 1 1 3 385 1 1 6 VAL HG13 H -2.431 0.144 -3.778 1.00 . A A . 6 VAL HG13 1 1 3 386 1 1 6 VAL HG21 H -1.805 -2.861 -3.149 1.00 . A A . 6 VAL HG21 1 1 3 387 1 1 6 VAL HG22 H -3.395 -2.131 -2.820 1.00 . A A . 6 VAL HG22 1 1 3 388 1 1 6 VAL HG23 H -2.486 -2.913 -1.505 1.00 . A A . 6 VAL HG23 1 1 3 389 1 1 6 VAL N N 0.197 0.019 -0.903 1.00 . A A . 6 VAL N 1 1 3 390 1 1 6 VAL O O 1.334 -1.388 -3.018 1.00 . A A . 6 VAL O 1 1 3 391 1 1 7 GLY C C 2.520 -4.743 -2.263 1.00 . A A . 7 GLY C 1 1 3 392 1 1 7 GLY CA C 1.370 -4.136 -3.045 1.00 . A A . 7 GLY CA 1 1 3 393 1 1 7 GLY H H -0.154 -3.766 -1.579 1.00 . A A . 7 GLY H 1 1 3 394 1 1 7 GLY HA2 H 0.774 -4.948 -3.461 1.00 . A A . 7 GLY HA2 1 1 3 395 1 1 7 GLY HA3 H 1.776 -3.544 -3.871 1.00 . A A . 7 GLY HA3 1 1 3 396 1 1 7 GLY N N 0.506 -3.319 -2.215 1.00 . A A . 7 GLY N 1 1 3 397 1 1 7 GLY O O 3.628 -4.207 -2.259 1.00 . A A . 7 GLY O 1 1 3 398 1 1 8 HIS C C 3.615 -7.901 -1.413 1.00 . A A . 8 HIS C 1 1 3 399 1 1 8 HIS CA C 3.276 -6.543 -0.808 1.00 . A A . 8 HIS CA 1 1 3 400 1 1 8 HIS CB C 2.799 -6.718 0.635 1.00 . A A . 8 HIS CB 1 1 3 401 1 1 8 HIS CD2 C 1.372 -5.204 2.189 1.00 . A A . 8 HIS CD2 1 1 3 402 1 1 8 HIS CE1 C 2.338 -3.296 1.716 1.00 . A A . 8 HIS CE1 1 1 3 403 1 1 8 HIS CG C 2.359 -5.432 1.276 1.00 . A A . 8 HIS CG 1 1 3 404 1 1 8 HIS H H 1.316 -6.259 -1.642 1.00 . A A . 8 HIS H 1 1 3 405 1 1 8 HIS HA H 4.190 -5.944 -0.786 1.00 . A A . 8 HIS HA 1 1 3 406 1 1 8 HIS HB2 H 1.962 -7.414 0.639 1.00 . A A . 8 HIS HB2 1 1 3 407 1 1 8 HIS HB3 H 3.613 -7.144 1.224 1.00 . A A . 8 HIS HB3 1 1 3 408 1 1 8 HIS HD1 H 3.728 -4.056 0.342 1.00 . A A . 8 HIS HD1 1 1 3 409 1 1 8 HIS HD2 H 0.588 -5.896 2.455 1.00 . A A . 8 HIS HD2 1 1 3 410 1 1 8 HIS HE1 H 2.586 -2.245 1.710 1.00 . A A . 8 HIS HE1 1 1 3 411 1 1 8 HIS N N 2.255 -5.863 -1.598 1.00 . A A . 8 HIS N 1 1 3 412 1 1 8 HIS ND1 N 2.957 -4.216 0.990 1.00 . A A . 8 HIS ND1 1 1 3 413 1 1 8 HIS NE2 N 1.372 -3.846 2.457 1.00 . A A . 8 HIS NE2 1 1 3 414 1 1 8 HIS O O 3.609 -8.921 -0.721 1.00 . A A . 8 HIS O 1 1 3 415 1 1 9 LEU C C 5.711 -9.518 -3.171 1.00 . A A . 9 LEU C 1 1 3 416 1 1 9 LEU CA C 4.252 -9.145 -3.408 1.00 . A A . 9 LEU CA 1 1 3 417 1 1 9 LEU CB C 3.988 -8.994 -4.907 1.00 . A A . 9 LEU CB 1 1 3 418 1 1 9 LEU CD1 C 2.194 -10.735 -5.079 1.00 . A A . 9 LEU CD1 1 1 3 419 1 1 9 LEU CD2 C 1.576 -8.341 -4.702 1.00 . A A . 9 LEU CD2 1 1 3 420 1 1 9 LEU CG C 2.561 -9.289 -5.371 1.00 . A A . 9 LEU CG 1 1 3 421 1 1 9 LEU H H 3.899 -7.033 -3.228 1.00 . A A . 9 LEU H 1 1 3 422 1 1 9 LEU HA H 3.628 -9.948 -3.029 1.00 . A A . 9 LEU HA 1 1 3 423 1 1 9 LEU HB2 H 4.220 -7.968 -5.183 1.00 . A A . 9 LEU HB2 1 1 3 424 1 1 9 LEU HB3 H 4.663 -9.657 -5.457 1.00 . A A . 9 LEU HB3 1 1 3 425 1 1 9 LEU HD11 H 1.776 -10.824 -4.074 1.00 . A A . 9 LEU HD11 1 1 3 426 1 1 9 LEU HD12 H 3.078 -11.370 -5.159 1.00 . A A . 9 LEU HD12 1 1 3 427 1 1 9 LEU HD13 H 1.448 -11.073 -5.802 1.00 . A A . 9 LEU HD13 1 1 3 428 1 1 9 LEU HD21 H 1.590 -8.508 -3.625 1.00 . A A . 9 LEU HD21 1 1 3 429 1 1 9 LEU HD22 H 0.572 -8.526 -5.086 1.00 . A A . 9 LEU HD22 1 1 3 430 1 1 9 LEU HD23 H 1.862 -7.311 -4.913 1.00 . A A . 9 LEU HD23 1 1 3 431 1 1 9 LEU HG H 2.510 -9.130 -6.451 1.00 . A A . 9 LEU HG 1 1 3 432 1 1 9 LEU N N 3.910 -7.911 -2.709 1.00 . A A . 9 LEU N 1 1 3 433 1 1 9 LEU O O 6.614 -8.719 -3.418 1.00 . A A . 9 LEU O 1 1 3 434 1 1 10 MET C C 8.097 -11.300 -3.715 1.00 . A A . 10 MET C 1 1 3 435 1 1 10 MET CA C 7.286 -11.219 -2.426 1.00 . A A . 10 MET CA 1 1 3 436 1 1 10 MET CB C 7.237 -12.591 -1.751 1.00 . A A . 10 MET CB 1 1 3 437 1 1 10 MET CE C 7.208 -14.127 -5.227 1.00 . A A . 10 MET CE 1 1 3 438 1 1 10 MET CG C 6.532 -13.652 -2.582 1.00 . A A . 10 MET CG 1 1 3 439 1 1 10 MET H H 5.143 -11.356 -2.513 1.00 . A A . 10 MET H 1 1 3 440 1 1 10 MET HA H 7.775 -10.515 -1.754 1.00 . A A . 10 MET HA 1 1 3 441 1 1 10 MET HB2 H 8.259 -12.922 -1.568 1.00 . A A . 10 MET HB2 1 1 3 442 1 1 10 MET HB3 H 6.727 -12.483 -0.790 1.00 . A A . 10 MET HB3 1 1 3 443 1 1 10 MET HE1 H 7.660 -14.805 -5.951 1.00 . A A . 10 MET HE1 1 1 3 444 1 1 10 MET HE2 H 7.548 -13.117 -5.426 1.00 . A A . 10 MET HE2 1 1 3 445 1 1 10 MET HE3 H 6.122 -14.172 -5.324 1.00 . A A . 10 MET HE3 1 1 3 446 1 1 10 MET HG2 H 5.984 -14.328 -1.920 1.00 . A A . 10 MET HG2 1 1 3 447 1 1 10 MET HG3 H 5.818 -13.161 -3.244 1.00 . A A . 10 MET HG3 1 1 3 448 1 1 10 MET N N 5.934 -10.738 -2.692 1.00 . A A . 10 MET N 1 1 3 449 1 1 10 MET O O 7.716 -10.648 -4.674 1.00 . A A . 10 MET O 1 1 3 450 1 1 10 MET SD S 7.677 -14.630 -3.574 1.00 . A A . 10 MET SD 1 1 4 451 1 1 1 GLY C C -7.536 5.224 0.161 1.00 . A A . 1 GLY C 1 1 4 452 1 1 1 GLY CA C -8.018 6.330 -0.757 1.00 . A A . 1 GLY CA 1 1 4 453 1 1 1 GLY H1 H -6.553 6.712 -2.135 1.00 . A A . 1 GLY H1 1 1 4 454 1 1 1 GLY H2 H -6.177 7.199 -0.551 1.00 . A A . 1 GLY H2 1 1 4 455 1 1 1 GLY H3 H -7.279 8.097 -1.483 1.00 . A A . 1 GLY H3 1 1 4 456 1 1 1 GLY HA2 H -8.706 6.970 -0.205 1.00 . A A . 1 GLY HA2 1 1 4 457 1 1 1 GLY HA3 H -8.548 5.883 -1.599 1.00 . A A . 1 GLY HA3 1 1 4 458 1 1 1 GLY N N -6.930 7.142 -1.268 1.00 . A A . 1 GLY N 1 1 4 459 1 1 1 GLY O O -7.780 4.047 -0.093 1.00 . A A . 1 GLY O 1 1 4 460 1 1 2 ASN C C -5.492 3.572 1.488 1.00 . A A . 2 ASN C 1 1 4 461 1 1 2 ASN CA C -6.326 4.638 2.190 1.00 . A A . 2 ASN CA 1 1 4 462 1 1 2 ASN CB C -7.476 3.979 2.956 1.00 . A A . 2 ASN CB 1 1 4 463 1 1 2 ASN CG C -8.606 4.947 3.250 1.00 . A A . 2 ASN CG 1 1 4 464 1 1 2 ASN H H -6.679 6.601 1.386 1.00 . A A . 2 ASN H 1 1 4 465 1 1 2 ASN HA H -5.692 5.165 2.905 1.00 . A A . 2 ASN HA 1 1 4 466 1 1 2 ASN HB2 H -7.883 3.162 2.357 1.00 . A A . 2 ASN HB2 1 1 4 467 1 1 2 ASN HB3 H -7.097 3.574 3.895 1.00 . A A . 2 ASN HB3 1 1 4 468 1 1 2 ASN HD21 H -7.619 5.654 4.898 1.00 . A A . 2 ASN HD21 1 1 4 469 1 1 2 ASN HD22 H -9.182 6.400 4.550 1.00 . A A . 2 ASN HD22 1 1 4 470 1 1 2 ASN N N -6.847 5.606 1.232 1.00 . A A . 2 ASN N 1 1 4 471 1 1 2 ASN ND2 N -8.454 5.726 4.316 1.00 . A A . 2 ASN ND2 1 1 4 472 1 1 2 ASN O O -5.595 2.384 1.796 1.00 . A A . 2 ASN O 1 1 4 473 1 1 2 ASN OD1 O -9.601 4.994 2.528 1.00 . A A . 2 ASN OD1 1 1 4 474 1 1 3 HIS C C -2.335 3.428 0.004 1.00 . A A . 3 HIS C 1 1 4 475 1 1 3 HIS CA C -3.808 3.087 -0.203 1.00 . A A . 3 HIS CA 1 1 4 476 1 1 3 HIS CB C -4.148 3.136 -1.693 1.00 . A A . 3 HIS CB 1 1 4 477 1 1 3 HIS CD2 C -2.635 1.434 -2.940 1.00 . A A . 3 HIS CD2 1 1 4 478 1 1 3 HIS CE1 C -4.161 -0.082 -3.348 1.00 . A A . 3 HIS CE1 1 1 4 479 1 1 3 HIS CG C -3.821 1.865 -2.428 1.00 . A A . 3 HIS CG 1 1 4 480 1 1 3 HIS H H -4.622 5.002 0.333 1.00 . A A . 3 HIS H 1 1 4 481 1 1 3 HIS HA H -3.970 2.065 0.151 1.00 . A A . 3 HIS HA 1 1 4 482 1 1 3 HIS HB2 H -5.217 3.316 -1.791 1.00 . A A . 3 HIS HB2 1 1 4 483 1 1 3 HIS HB3 H -3.611 3.966 -2.159 1.00 . A A . 3 HIS HB3 1 1 4 484 1 1 3 HIS HD1 H -5.761 0.926 -2.439 1.00 . A A . 3 HIS HD1 1 1 4 485 1 1 3 HIS HD2 H -1.754 2.042 -3.086 1.00 . A A . 3 HIS HD2 1 1 4 486 1 1 3 HIS HE1 H -4.646 -0.982 -3.694 1.00 . A A . 3 HIS HE1 1 1 4 487 1 1 3 HIS N N -4.663 4.005 0.543 1.00 . A A . 3 HIS N 1 1 4 488 1 1 3 HIS ND1 N -4.773 0.894 -2.695 1.00 . A A . 3 HIS ND1 1 1 4 489 1 1 3 HIS NE2 N -2.866 0.199 -3.520 1.00 . A A . 3 HIS NE2 1 1 4 490 1 1 3 HIS O O -1.513 3.237 -0.891 1.00 . A A . 3 HIS O 1 1 4 491 1 1 4 TRP C C 0.313 3.137 1.252 1.00 . A A . 4 TRP C 1 1 4 492 1 1 4 TRP CA C -0.638 4.300 1.513 1.00 . A A . 4 TRP CA 1 1 4 493 1 1 4 TRP CB C -0.536 4.739 2.975 1.00 . A A . 4 TRP CB 1 1 4 494 1 1 4 TRP CD1 C -1.350 6.980 3.912 1.00 . A A . 4 TRP CD1 1 1 4 495 1 1 4 TRP CD2 C 0.412 7.143 2.540 1.00 . A A . 4 TRP CD2 1 1 4 496 1 1 4 TRP CE2 C 0.066 8.435 2.982 1.00 . A A . 4 TRP CE2 1 1 4 497 1 1 4 TRP CE3 C 1.493 6.997 1.667 1.00 . A A . 4 TRP CE3 1 1 4 498 1 1 4 TRP CG C -0.506 6.228 3.147 1.00 . A A . 4 TRP CG 1 1 4 499 1 1 4 TRP CH2 C 1.817 9.398 1.724 1.00 . A A . 4 TRP CH2 1 1 4 500 1 1 4 TRP CZ2 C 0.764 9.571 2.579 1.00 . A A . 4 TRP CZ2 1 1 4 501 1 1 4 TRP CZ3 C 2.184 8.125 1.267 1.00 . A A . 4 TRP CZ3 1 1 4 502 1 1 4 TRP H H -2.740 4.063 1.892 1.00 . A A . 4 TRP H 1 1 4 503 1 1 4 TRP HA H -0.347 5.131 0.871 1.00 . A A . 4 TRP HA 1 1 4 504 1 1 4 TRP HB2 H -1.405 4.356 3.507 1.00 . A A . 4 TRP HB2 1 1 4 505 1 1 4 TRP HB3 H 0.365 4.319 3.434 1.00 . A A . 4 TRP HB3 1 1 4 506 1 1 4 TRP HD1 H -2.164 6.589 4.505 1.00 . A A . 4 TRP HD1 1 1 4 507 1 1 4 TRP HE1 H -1.479 9.085 4.287 1.00 . A A . 4 TRP HE1 1 1 4 508 1 1 4 TRP HE3 H 1.784 6.019 1.315 1.00 . A A . 4 TRP HE3 1 1 4 509 1 1 4 TRP HH2 H 2.376 10.262 1.396 1.00 . A A . 4 TRP HH2 1 1 4 510 1 1 4 TRP HZ2 H 0.482 10.553 2.927 1.00 . A A . 4 TRP HZ2 1 1 4 511 1 1 4 TRP HZ3 H 3.020 8.018 0.592 1.00 . A A . 4 TRP HZ3 1 1 4 512 1 1 4 TRP N N -2.011 3.933 1.189 1.00 . A A . 4 TRP N 1 1 4 513 1 1 4 TRP NE1 N -1.012 8.309 3.817 1.00 . A A . 4 TRP NE1 1 1 4 514 1 1 4 TRP O O 1.083 3.156 0.291 1.00 . A A . 4 TRP O 1 1 4 515 1 1 5 ALA C C 0.282 -0.302 1.721 1.00 . A A . 5 ALA C 1 1 4 516 1 1 5 ALA CA C 1.110 0.953 1.971 1.00 . A A . 5 ALA CA 1 1 4 517 1 1 5 ALA CB C 1.975 0.780 3.211 1.00 . A A . 5 ALA CB 1 1 4 518 1 1 5 ALA H H -0.402 2.171 2.890 1.00 . A A . 5 ALA H 1 1 4 519 1 1 5 ALA HA H 1.779 1.085 1.117 1.00 . A A . 5 ALA HA 1 1 4 520 1 1 5 ALA HB1 H 2.532 -0.154 3.143 1.00 . A A . 5 ALA HB1 1 1 4 521 1 1 5 ALA HB2 H 1.334 0.758 4.093 1.00 . A A . 5 ALA HB2 1 1 4 522 1 1 5 ALA HB3 H 2.673 1.613 3.290 1.00 . A A . 5 ALA HB3 1 1 4 523 1 1 5 ALA N N 0.255 2.126 2.111 1.00 . A A . 5 ALA N 1 1 4 524 1 1 5 ALA O O -0.095 -1.007 2.658 1.00 . A A . 5 ALA O 1 1 4 525 1 1 6 VAL C C -0.364 -2.276 -1.290 1.00 . A A . 6 VAL C 1 1 4 526 1 1 6 VAL CA C -0.782 -1.750 0.076 1.00 . A A . 6 VAL CA 1 1 4 527 1 1 6 VAL CB C -2.289 -1.433 0.056 1.00 . A A . 6 VAL CB 1 1 4 528 1 1 6 VAL CG1 C -3.086 -2.661 -0.357 1.00 . A A . 6 VAL CG1 1 1 4 529 1 1 6 VAL CG2 C -2.745 -0.922 1.413 1.00 . A A . 6 VAL CG2 1 1 4 530 1 1 6 VAL H H 0.347 0.043 -0.282 1.00 . A A . 6 VAL H 1 1 4 531 1 1 6 VAL HA H -0.618 -2.541 0.812 1.00 . A A . 6 VAL HA 1 1 4 532 1 1 6 VAL HB H -2.462 -0.649 -0.684 1.00 . A A . 6 VAL HB 1 1 4 533 1 1 6 VAL HG11 H -4.149 -2.481 -0.201 1.00 . A A . 6 VAL HG11 1 1 4 534 1 1 6 VAL HG12 H -2.770 -3.510 0.250 1.00 . A A . 6 VAL HG12 1 1 4 535 1 1 6 VAL HG13 H -2.911 -2.883 -1.410 1.00 . A A . 6 VAL HG13 1 1 4 536 1 1 6 VAL HG21 H -2.406 -1.614 2.184 1.00 . A A . 6 VAL HG21 1 1 4 537 1 1 6 VAL HG22 H -3.833 -0.854 1.438 1.00 . A A . 6 VAL HG22 1 1 4 538 1 1 6 VAL HG23 H -2.320 0.065 1.597 1.00 . A A . 6 VAL HG23 1 1 4 539 1 1 6 VAL N N 0.002 -0.577 0.451 1.00 . A A . 6 VAL N 1 1 4 540 1 1 6 VAL O O -0.240 -1.515 -2.250 1.00 . A A . 6 VAL O 1 1 4 541 1 1 7 GLY C C 1.758 -4.225 -2.803 1.00 . A A . 7 GLY C 1 1 4 542 1 1 7 GLY CA C 0.253 -4.192 -2.630 1.00 . A A . 7 GLY CA 1 1 4 543 1 1 7 GLY H H -0.269 -4.168 -0.548 1.00 . A A . 7 GLY H 1 1 4 544 1 1 7 GLY HA2 H -0.118 -5.216 -2.652 1.00 . A A . 7 GLY HA2 1 1 4 545 1 1 7 GLY HA3 H -0.188 -3.642 -3.465 1.00 . A A . 7 GLY HA3 1 1 4 546 1 1 7 GLY N N -0.148 -3.584 -1.375 1.00 . A A . 7 GLY N 1 1 4 547 1 1 7 GLY O O 2.300 -3.587 -3.705 1.00 . A A . 7 GLY O 1 1 4 548 1 1 8 HIS C C 4.308 -6.475 -2.457 1.00 . A A . 8 HIS C 1 1 4 549 1 1 8 HIS CA C 3.889 -5.082 -1.995 1.00 . A A . 8 HIS CA 1 1 4 550 1 1 8 HIS CB C 4.501 -4.779 -0.628 1.00 . A A . 8 HIS CB 1 1 4 551 1 1 8 HIS CD2 C 3.404 -2.585 0.227 1.00 . A A . 8 HIS CD2 1 1 4 552 1 1 8 HIS CE1 C 5.157 -1.285 0.051 1.00 . A A . 8 HIS CE1 1 1 4 553 1 1 8 HIS CG C 4.445 -3.324 -0.251 1.00 . A A . 8 HIS CG 1 1 4 554 1 1 8 HIS H H 1.929 -5.477 -1.210 1.00 . A A . 8 HIS H 1 1 4 555 1 1 8 HIS HA H 4.287 -4.353 -2.705 1.00 . A A . 8 HIS HA 1 1 4 556 1 1 8 HIS HB2 H 3.963 -5.352 0.125 1.00 . A A . 8 HIS HB2 1 1 4 557 1 1 8 HIS HB3 H 5.548 -5.093 -0.628 1.00 . A A . 8 HIS HB3 1 1 4 558 1 1 8 HIS HD1 H 6.475 -2.744 -0.680 1.00 . A A . 8 HIS HD1 1 1 4 559 1 1 8 HIS HD2 H 2.366 -2.883 0.228 1.00 . A A . 8 HIS HD2 1 1 4 560 1 1 8 HIS HE1 H 5.798 -0.417 0.086 1.00 . A A . 8 HIS HE1 1 1 4 561 1 1 8 HIS N N 2.436 -4.970 -1.935 1.00 . A A . 8 HIS N 1 1 4 562 1 1 8 HIS ND1 N 5.543 -2.486 -0.355 1.00 . A A . 8 HIS ND1 1 1 4 563 1 1 8 HIS NE2 N 3.871 -1.297 0.413 1.00 . A A . 8 HIS NE2 1 1 4 564 1 1 8 HIS O O 5.371 -6.971 -2.081 1.00 . A A . 8 HIS O 1 1 4 565 1 1 9 LEU C C 3.836 -8.431 -5.305 1.00 . A A . 9 LEU C 1 1 4 566 1 1 9 LEU CA C 3.748 -8.439 -3.782 1.00 . A A . 9 LEU CA 1 1 4 567 1 1 9 LEU CB C 2.665 -9.419 -3.327 1.00 . A A . 9 LEU CB 1 1 4 568 1 1 9 LEU CD1 C 3.942 -11.575 -3.265 1.00 . A A . 9 LEU CD1 1 1 4 569 1 1 9 LEU CD2 C 1.470 -11.599 -3.649 1.00 . A A . 9 LEU CD2 1 1 4 570 1 1 9 LEU CG C 2.766 -10.838 -3.887 1.00 . A A . 9 LEU CG 1 1 4 571 1 1 9 LEU H H 2.600 -6.637 -3.547 1.00 . A A . 9 LEU H 1 1 4 572 1 1 9 LEU HA H 4.705 -8.791 -3.389 1.00 . A A . 9 LEU HA 1 1 4 573 1 1 9 LEU HB2 H 2.696 -9.483 -2.241 1.00 . A A . 9 LEU HB2 1 1 4 574 1 1 9 LEU HB3 H 1.700 -8.999 -3.619 1.00 . A A . 9 LEU HB3 1 1 4 575 1 1 9 LEU HD11 H 4.879 -11.141 -3.610 1.00 . A A . 9 LEU HD11 1 1 4 576 1 1 9 LEU HD12 H 3.903 -12.626 -3.551 1.00 . A A . 9 LEU HD12 1 1 4 577 1 1 9 LEU HD13 H 3.882 -11.494 -2.180 1.00 . A A . 9 LEU HD13 1 1 4 578 1 1 9 LEU HD21 H 1.298 -11.678 -2.575 1.00 . A A . 9 LEU HD21 1 1 4 579 1 1 9 LEU HD22 H 1.547 -12.598 -4.079 1.00 . A A . 9 LEU HD22 1 1 4 580 1 1 9 LEU HD23 H 0.639 -11.068 -4.112 1.00 . A A . 9 LEU HD23 1 1 4 581 1 1 9 LEU HG H 2.931 -10.783 -4.962 1.00 . A A . 9 LEU HG 1 1 4 582 1 1 9 LEU N N 3.465 -7.102 -3.270 1.00 . A A . 9 LEU N 1 1 4 583 1 1 9 LEU O O 2.828 -8.573 -5.995 1.00 . A A . 9 LEU O 1 1 4 584 1 1 10 MET C C 4.692 -9.494 -7.920 1.00 . A A . 10 MET C 1 1 4 585 1 1 10 MET CA C 5.270 -8.246 -7.262 1.00 . A A . 10 MET CA 1 1 4 586 1 1 10 MET CB C 6.765 -8.139 -7.570 1.00 . A A . 10 MET CB 1 1 4 587 1 1 10 MET CE C 9.757 -7.053 -8.938 1.00 . A A . 10 MET CE 1 1 4 588 1 1 10 MET CG C 7.063 -7.699 -8.993 1.00 . A A . 10 MET CG 1 1 4 589 1 1 10 MET H H 5.848 -8.167 -5.194 1.00 . A A . 10 MET H 1 1 4 590 1 1 10 MET HA H 4.774 -7.369 -7.679 1.00 . A A . 10 MET HA 1 1 4 591 1 1 10 MET HB2 H 7.215 -7.428 -6.876 1.00 . A A . 10 MET HB2 1 1 4 592 1 1 10 MET HB3 H 7.223 -9.118 -7.413 1.00 . A A . 10 MET HB3 1 1 4 593 1 1 10 MET HE1 H 10.793 -7.352 -9.102 1.00 . A A . 10 MET HE1 1 1 4 594 1 1 10 MET HE2 H 9.578 -6.934 -7.869 1.00 . A A . 10 MET HE2 1 1 4 595 1 1 10 MET HE3 H 9.567 -6.107 -9.444 1.00 . A A . 10 MET HE3 1 1 4 596 1 1 10 MET HG2 H 6.278 -8.072 -9.651 1.00 . A A . 10 MET HG2 1 1 4 597 1 1 10 MET HG3 H 7.068 -6.608 -9.032 1.00 . A A . 10 MET HG3 1 1 4 598 1 1 10 MET N N 5.050 -8.268 -5.821 1.00 . A A . 10 MET N 1 1 4 599 1 1 10 MET O O 3.649 -9.384 -8.543 1.00 . A A . 10 MET O 1 1 4 600 1 1 10 MET SD S 8.653 -8.303 -9.590 1.00 . A A . 10 MET SD 1 1 5 601 1 1 1 GLY C C -4.864 7.679 1.662 1.00 . A A . 1 GLY C 1 1 5 602 1 1 1 GLY CA C -4.351 8.835 0.825 1.00 . A A . 1 GLY CA 1 1 5 603 1 1 1 GLY H1 H -4.656 8.596 -1.186 1.00 . A A . 1 GLY H1 1 1 5 604 1 1 1 GLY H2 H -3.691 7.394 -0.471 1.00 . A A . 1 GLY H2 1 1 5 605 1 1 1 GLY H3 H -3.054 8.943 -0.756 1.00 . A A . 1 GLY H3 1 1 5 606 1 1 1 GLY HA2 H -3.517 9.305 1.345 1.00 . A A . 1 GLY HA2 1 1 5 607 1 1 1 GLY HA3 H -5.151 9.567 0.708 1.00 . A A . 1 GLY HA3 1 1 5 608 1 1 1 GLY N N -3.906 8.413 -0.490 1.00 . A A . 1 GLY N 1 1 5 609 1 1 1 GLY O O -4.719 7.675 2.883 1.00 . A A . 1 GLY O 1 1 5 610 1 1 2 ASN C C -5.177 4.285 1.387 1.00 . A A . 2 ASN C 1 1 5 611 1 1 2 ASN CA C -6.004 5.528 1.694 1.00 . A A . 2 ASN CA 1 1 5 612 1 1 2 ASN CB C -7.462 5.298 1.290 1.00 . A A . 2 ASN CB 1 1 5 613 1 1 2 ASN CG C -8.426 6.155 2.087 1.00 . A A . 2 ASN CG 1 1 5 614 1 1 2 ASN H H -5.559 6.757 -0.012 1.00 . A A . 2 ASN H 1 1 5 615 1 1 2 ASN HA H -5.973 5.693 2.775 1.00 . A A . 2 ASN HA 1 1 5 616 1 1 2 ASN HB2 H -7.573 5.533 0.232 1.00 . A A . 2 ASN HB2 1 1 5 617 1 1 2 ASN HB3 H -7.726 4.249 1.450 1.00 . A A . 2 ASN HB3 1 1 5 618 1 1 2 ASN HD21 H -7.436 7.855 1.524 1.00 . A A . 2 ASN HD21 1 1 5 619 1 1 2 ASN HD22 H -8.829 8.083 2.588 1.00 . A A . 2 ASN HD22 1 1 5 620 1 1 2 ASN N N -5.467 6.695 1.002 1.00 . A A . 2 ASN N 1 1 5 621 1 1 2 ASN ND2 N -8.211 7.465 2.062 1.00 . A A . 2 ASN ND2 1 1 5 622 1 1 2 ASN O O -5.075 3.374 2.210 1.00 . A A . 2 ASN O 1 1 5 623 1 1 2 ASN OD1 O -9.352 5.645 2.717 1.00 . A A . 2 ASN OD1 1 1 5 624 1 1 3 HIS C C -2.284 3.414 -0.002 1.00 . A A . 3 HIS C 1 1 5 625 1 1 3 HIS CA C -3.765 3.120 -0.219 1.00 . A A . 3 HIS CA 1 1 5 626 1 1 3 HIS CB C -4.020 2.790 -1.691 1.00 . A A . 3 HIS CB 1 1 5 627 1 1 3 HIS CD2 C -2.757 4.378 -3.312 1.00 . A A . 3 HIS CD2 1 1 5 628 1 1 3 HIS CE1 C -4.400 5.768 -3.710 1.00 . A A . 3 HIS CE1 1 1 5 629 1 1 3 HIS CG C -3.850 3.969 -2.609 1.00 . A A . 3 HIS CG 1 1 5 630 1 1 3 HIS H H -4.709 5.037 -0.443 1.00 . A A . 3 HIS H 1 1 5 631 1 1 3 HIS HA H -4.029 2.244 0.382 1.00 . A A . 3 HIS HA 1 1 5 632 1 1 3 HIS HB2 H -3.330 2.007 -2.000 1.00 . A A . 3 HIS HB2 1 1 5 633 1 1 3 HIS HB3 H -5.040 2.417 -1.789 1.00 . A A . 3 HIS HB3 1 1 5 634 1 1 3 HIS HD1 H -5.825 4.822 -2.496 1.00 . A A . 3 HIS HD1 1 1 5 635 1 1 3 HIS HD2 H -1.746 4.028 -3.167 1.00 . A A . 3 HIS HD2 1 1 5 636 1 1 3 HIS HE1 H -4.971 6.596 -4.102 1.00 . A A . 3 HIS HE1 1 1 5 637 1 1 3 HIS N N -4.586 4.252 0.196 1.00 . A A . 3 HIS N 1 1 5 638 1 1 3 HIS ND1 N -4.878 4.859 -2.873 1.00 . A A . 3 HIS ND1 1 1 5 639 1 1 3 HIS NE2 N -3.122 5.519 -4.004 1.00 . A A . 3 HIS NE2 1 1 5 640 1 1 3 HIS O O -1.459 3.182 -0.886 1.00 . A A . 3 HIS O 1 1 5 641 1 1 4 TRP C C 0.343 3.057 1.264 1.00 . A A . 4 TRP C 1 1 5 642 1 1 4 TRP CA C -0.573 4.251 1.511 1.00 . A A . 4 TRP CA 1 1 5 643 1 1 4 TRP CB C -0.469 4.696 2.971 1.00 . A A . 4 TRP CB 1 1 5 644 1 1 4 TRP CD1 C -1.339 6.924 3.891 1.00 . A A . 4 TRP CD1 1 1 5 645 1 1 4 TRP CD2 C 0.436 7.117 2.540 1.00 . A A . 4 TRP CD2 1 1 5 646 1 1 4 TRP CE2 C 0.059 8.403 2.974 1.00 . A A . 4 TRP CE2 1 1 5 647 1 1 4 TRP CE3 C 1.531 6.990 1.680 1.00 . A A . 4 TRP CE3 1 1 5 648 1 1 4 TRP CG C -0.472 6.186 3.138 1.00 . A A . 4 TRP CG 1 1 5 649 1 1 4 TRP CH2 C 1.806 9.398 1.734 1.00 . A A . 4 TRP CH2 1 1 5 650 1 1 4 TRP CZ2 C 0.738 9.552 2.576 1.00 . A A . 4 TRP CZ2 1 1 5 651 1 1 4 TRP CZ3 C 2.203 8.131 1.286 1.00 . A A . 4 TRP CZ3 1 1 5 652 1 1 4 TRP H H -2.685 4.092 1.870 1.00 . A A . 4 TRP H 1 1 5 653 1 1 4 TRP HA H -0.251 5.069 0.867 1.00 . A A . 4 TRP HA 1 1 5 654 1 1 4 TRP HB2 H -1.323 4.294 3.512 1.00 . A A . 4 TRP HB2 1 1 5 655 1 1 4 TRP HB3 H 0.446 4.300 3.421 1.00 . A A . 4 TRP HB3 1 1 5 656 1 1 4 TRP HD1 H -2.152 6.519 4.475 1.00 . A A . 4 TRP HD1 1 1 5 657 1 1 4 TRP HE1 H -1.514 9.026 4.257 1.00 . A A . 4 TRP HE1 1 1 5 658 1 1 4 TRP HE3 H 1.846 6.016 1.334 1.00 . A A . 4 TRP HE3 1 1 5 659 1 1 4 TRP HH2 H 2.351 10.271 1.410 1.00 . A A . 4 TRP HH2 1 1 5 660 1 1 4 TRP HZ2 H 0.435 10.530 2.920 1.00 . A A . 4 TRP HZ2 1 1 5 661 1 1 4 TRP HZ3 H 3.050 8.039 0.622 1.00 . A A . 4 TRP HZ3 1 1 5 662 1 1 4 TRP N N -1.954 3.925 1.179 1.00 . A A . 4 TRP N 1 1 5 663 1 1 4 TRP NE1 N -1.026 8.258 3.796 1.00 . A A . 4 TRP NE1 1 1 5 664 1 1 4 TRP O O 1.102 3.034 0.295 1.00 . A A . 4 TRP O 1 1 5 665 1 1 5 ALA C C 0.225 -0.366 1.778 1.00 . A A . 5 ALA C 1 1 5 666 1 1 5 ALA CA C 1.088 0.868 2.023 1.00 . A A . 5 ALA CA 1 1 5 667 1 1 5 ALA CB C 1.939 0.680 3.270 1.00 . A A . 5 ALA CB 1 1 5 668 1 1 5 ALA H H -0.379 2.146 2.932 1.00 . A A . 5 ALA H 1 1 5 669 1 1 5 ALA HA H 1.767 0.973 1.172 1.00 . A A . 5 ALA HA 1 1 5 670 1 1 5 ALA HB1 H 1.293 0.688 4.148 1.00 . A A . 5 ALA HB1 1 1 5 671 1 1 5 ALA HB2 H 2.663 1.491 3.343 1.00 . A A . 5 ALA HB2 1 1 5 672 1 1 5 ALA HB3 H 2.465 -0.273 3.216 1.00 . A A . 5 ALA HB3 1 1 5 673 1 1 5 ALA N N 0.267 2.066 2.147 1.00 . A A . 5 ALA N 1 1 5 674 1 1 5 ALA O O -0.212 -1.027 2.719 1.00 . A A . 5 ALA O 1 1 5 675 1 1 6 VAL C C -0.373 -2.410 -1.193 1.00 . A A . 6 VAL C 1 1 5 676 1 1 6 VAL CA C -0.829 -1.823 0.137 1.00 . A A . 6 VAL CA 1 1 5 677 1 1 6 VAL CB C -2.319 -1.453 0.041 1.00 . A A . 6 VAL CB 1 1 5 678 1 1 6 VAL CG1 C -3.145 -2.666 -0.359 1.00 . A A . 6 VAL CG1 1 1 5 679 1 1 6 VAL CG2 C -2.811 -0.875 1.360 1.00 . A A . 6 VAL CG2 1 1 5 680 1 1 6 VAL H H 0.375 -0.083 -0.230 1.00 . A A . 6 VAL H 1 1 5 681 1 1 6 VAL HA H -0.725 -2.594 0.903 1.00 . A A . 6 VAL HA 1 1 5 682 1 1 6 VAL HB H -2.432 -0.693 -0.734 1.00 . A A . 6 VAL HB 1 1 5 683 1 1 6 VAL HG11 H -2.884 -3.502 0.291 1.00 . A A . 6 VAL HG11 1 1 5 684 1 1 6 VAL HG12 H -2.937 -2.932 -1.395 1.00 . A A . 6 VAL HG12 1 1 5 685 1 1 6 VAL HG13 H -4.205 -2.442 -0.252 1.00 . A A . 6 VAL HG13 1 1 5 686 1 1 6 VAL HG21 H -3.895 -0.762 1.335 1.00 . A A . 6 VAL HG21 1 1 5 687 1 1 6 VAL HG22 H -2.352 0.100 1.529 1.00 . A A . 6 VAL HG22 1 1 5 688 1 1 6 VAL HG23 H -2.534 -1.551 2.170 1.00 . A A . 6 VAL HG23 1 1 5 689 1 1 6 VAL N N -0.018 -0.669 0.507 1.00 . A A . 6 VAL N 1 1 5 690 1 1 6 VAL O O -0.113 -1.681 -2.149 1.00 . A A . 6 VAL O 1 1 5 691 1 1 7 GLY C C 1.617 -4.213 -2.748 1.00 . A A . 7 GLY C 1 1 5 692 1 1 7 GLY CA C 0.140 -4.400 -2.469 1.00 . A A . 7 GLY CA 1 1 5 693 1 1 7 GLY H H -0.514 -4.292 -0.426 1.00 . A A . 7 GLY H 1 1 5 694 1 1 7 GLY HA2 H -0.068 -5.467 -2.378 1.00 . A A . 7 GLY HA2 1 1 5 695 1 1 7 GLY HA3 H -0.432 -3.999 -3.306 1.00 . A A . 7 GLY HA3 1 1 5 696 1 1 7 GLY N N -0.283 -3.737 -1.250 1.00 . A A . 7 GLY N 1 1 5 697 1 1 7 GLY O O 1.998 -3.470 -3.654 1.00 . A A . 7 GLY O 1 1 5 698 1 1 8 HIS C C 4.481 -6.121 -2.616 1.00 . A A . 8 HIS C 1 1 5 699 1 1 8 HIS CA C 3.901 -4.794 -2.135 1.00 . A A . 8 HIS CA 1 1 5 700 1 1 8 HIS CB C 4.561 -4.383 -0.817 1.00 . A A . 8 HIS CB 1 1 5 701 1 1 8 HIS CD2 C 3.490 -2.525 0.647 1.00 . A A . 8 HIS CD2 1 1 5 702 1 1 8 HIS CE1 C 4.243 -0.796 -0.468 1.00 . A A . 8 HIS CE1 1 1 5 703 1 1 8 HIS CG C 4.238 -2.975 -0.400 1.00 . A A . 8 HIS CG 1 1 5 704 1 1 8 HIS H H 2.080 -5.489 -1.233 1.00 . A A . 8 HIS H 1 1 5 705 1 1 8 HIS HA H 4.140 -4.030 -2.879 1.00 . A A . 8 HIS HA 1 1 5 706 1 1 8 HIS HB2 H 4.227 -5.063 -0.035 1.00 . A A . 8 HIS HB2 1 1 5 707 1 1 8 HIS HB3 H 5.644 -4.473 -0.923 1.00 . A A . 8 HIS HB3 1 1 5 708 1 1 8 HIS HD1 H 5.292 -1.877 -1.925 1.00 . A A . 8 HIS HD1 1 1 5 709 1 1 8 HIS HD2 H 2.819 -3.122 1.247 1.00 . A A . 8 HIS HD2 1 1 5 710 1 1 8 HIS HE1 H 4.444 0.220 -0.773 1.00 . A A . 8 HIS HE1 1 1 5 711 1 1 8 HIS N N 2.456 -4.889 -1.967 1.00 . A A . 8 HIS N 1 1 5 712 1 1 8 HIS ND1 N 4.704 -1.869 -1.091 1.00 . A A . 8 HIS ND1 1 1 5 713 1 1 8 HIS NE2 N 3.503 -1.141 0.589 1.00 . A A . 8 HIS NE2 1 1 5 714 1 1 8 HIS O O 5.325 -6.720 -1.949 1.00 . A A . 8 HIS O 1 1 5 715 1 1 9 LEU C C 5.249 -7.587 -5.652 1.00 . A A . 9 LEU C 1 1 5 716 1 1 9 LEU CA C 4.495 -7.830 -4.349 1.00 . A A . 9 LEU CA 1 1 5 717 1 1 9 LEU CB C 3.318 -8.775 -4.596 1.00 . A A . 9 LEU CB 1 1 5 718 1 1 9 LEU CD1 C 2.467 -8.514 -6.941 1.00 . A A . 9 LEU CD1 1 1 5 719 1 1 9 LEU CD2 C 0.853 -8.822 -5.054 1.00 . A A . 9 LEU CD2 1 1 5 720 1 1 9 LEU CG C 2.190 -8.227 -5.473 1.00 . A A . 9 LEU CG 1 1 5 721 1 1 9 LEU H H 3.326 -6.028 -4.285 1.00 . A A . 9 LEU H 1 1 5 722 1 1 9 LEU HA H 5.186 -8.312 -3.652 1.00 . A A . 9 LEU HA 1 1 5 723 1 1 9 LEU HB2 H 3.704 -9.686 -5.057 1.00 . A A . 9 LEU HB2 1 1 5 724 1 1 9 LEU HB3 H 2.908 -9.039 -3.616 1.00 . A A . 9 LEU HB3 1 1 5 725 1 1 9 LEU HD11 H 1.931 -7.792 -7.560 1.00 . A A . 9 LEU HD11 1 1 5 726 1 1 9 LEU HD12 H 2.113 -9.519 -7.180 1.00 . A A . 9 LEU HD12 1 1 5 727 1 1 9 LEU HD13 H 3.521 -8.459 -7.165 1.00 . A A . 9 LEU HD13 1 1 5 728 1 1 9 LEU HD21 H 0.569 -8.441 -4.072 1.00 . A A . 9 LEU HD21 1 1 5 729 1 1 9 LEU HD22 H 0.941 -9.907 -5.011 1.00 . A A . 9 LEU HD22 1 1 5 730 1 1 9 LEU HD23 H 0.090 -8.548 -5.783 1.00 . A A . 9 LEU HD23 1 1 5 731 1 1 9 LEU HG H 2.150 -7.146 -5.331 1.00 . A A . 9 LEU HG 1 1 5 732 1 1 9 LEU N N 4.022 -6.574 -3.778 1.00 . A A . 9 LEU N 1 1 5 733 1 1 9 LEU O O 6.163 -8.334 -6.001 1.00 . A A . 9 LEU O 1 1 5 734 1 1 10 MET C C 5.322 -7.305 -8.653 1.00 . A A . 10 MET C 1 1 5 735 1 1 10 MET CA C 5.505 -6.191 -7.629 1.00 . A A . 10 MET CA 1 1 5 736 1 1 10 MET CB C 6.995 -5.922 -7.410 1.00 . A A . 10 MET CB 1 1 5 737 1 1 10 MET CE C 7.511 -2.280 -5.507 1.00 . A A . 10 MET CE 1 1 5 738 1 1 10 MET CG C 7.277 -4.927 -6.297 1.00 . A A . 10 MET CG 1 1 5 739 1 1 10 MET H H 4.099 -5.954 -6.021 1.00 . A A . 10 MET H 1 1 5 740 1 1 10 MET HA H 5.043 -5.283 -8.017 1.00 . A A . 10 MET HA 1 1 5 741 1 1 10 MET HB2 H 7.499 -6.859 -7.188 1.00 . A A . 10 MET HB2 1 1 5 742 1 1 10 MET HB3 H 7.406 -5.517 -8.335 1.00 . A A . 10 MET HB3 1 1 5 743 1 1 10 MET HE1 H 7.530 -2.735 -4.517 1.00 . A A . 10 MET HE1 1 1 5 744 1 1 10 MET HE2 H 7.065 -1.288 -5.443 1.00 . A A . 10 MET HE2 1 1 5 745 1 1 10 MET HE3 H 8.530 -2.197 -5.888 1.00 . A A . 10 MET HE3 1 1 5 746 1 1 10 MET HG2 H 6.861 -5.320 -5.371 1.00 . A A . 10 MET HG2 1 1 5 747 1 1 10 MET HG3 H 8.355 -4.811 -6.180 1.00 . A A . 10 MET HG3 1 1 5 748 1 1 10 MET N N 4.863 -6.534 -6.366 1.00 . A A . 10 MET N 1 1 5 749 1 1 10 MET O O 6.088 -8.253 -8.606 1.00 . A A . 10 MET O 1 1 5 750 1 1 10 MET SD S 6.545 -3.309 -6.611 1.00 . A A . 10 MET SD 1 1 6 751 1 1 1 GLY C C -5.110 6.371 3.719 1.00 . A A . 1 GLY C 1 1 6 752 1 1 1 GLY CA C -5.363 7.838 3.438 1.00 . A A . 1 GLY CA 1 1 6 753 1 1 1 GLY H1 H -4.739 9.118 1.966 1.00 . A A . 1 GLY H1 1 1 6 754 1 1 1 GLY H2 H -6.092 8.177 1.554 1.00 . A A . 1 GLY H2 1 1 6 755 1 1 1 GLY H3 H -4.545 7.476 1.595 1.00 . A A . 1 GLY H3 1 1 6 756 1 1 1 GLY HA2 H -4.680 8.436 4.042 1.00 . A A . 1 GLY HA2 1 1 6 757 1 1 1 GLY HA3 H -6.388 8.079 3.721 1.00 . A A . 1 GLY HA3 1 1 6 758 1 1 1 GLY N N -5.171 8.177 2.039 1.00 . A A . 1 GLY N 1 1 6 759 1 1 1 GLY O O -4.002 5.984 4.087 1.00 . A A . 1 GLY O 1 1 6 760 1 1 2 ASN C C -5.121 3.462 2.748 1.00 . A A . 2 ASN C 1 1 6 761 1 1 2 ASN CA C -6.026 4.117 3.787 1.00 . A A . 2 ASN CA 1 1 6 762 1 1 2 ASN CB C -7.410 3.462 3.760 1.00 . A A . 2 ASN CB 1 1 6 763 1 1 2 ASN CG C -8.346 4.046 4.800 1.00 . A A . 2 ASN CG 1 1 6 764 1 1 2 ASN H H -7.037 5.934 3.241 1.00 . A A . 2 ASN H 1 1 6 765 1 1 2 ASN HA H -5.592 3.964 4.775 1.00 . A A . 2 ASN HA 1 1 6 766 1 1 2 ASN HB2 H -7.844 3.599 2.770 1.00 . A A . 2 ASN HB2 1 1 6 767 1 1 2 ASN HB3 H -7.296 2.395 3.954 1.00 . A A . 2 ASN HB3 1 1 6 768 1 1 2 ASN HD21 H -9.586 4.761 3.338 1.00 . A A . 2 ASN HD21 1 1 6 769 1 1 2 ASN HD22 H -10.073 5.098 5.002 1.00 . A A . 2 ASN HD22 1 1 6 770 1 1 2 ASN N N -6.142 5.551 3.546 1.00 . A A . 2 ASN N 1 1 6 771 1 1 2 ASN ND2 N -9.416 4.685 4.340 1.00 . A A . 2 ASN ND2 1 1 6 772 1 1 2 ASN O O -4.423 2.490 3.040 1.00 . A A . 2 ASN O 1 1 6 773 1 1 2 ASN OD1 O -8.111 3.925 6.002 1.00 . A A . 2 ASN OD1 1 1 6 774 1 1 3 HIS C C -2.902 4.039 0.511 1.00 . A A . 3 HIS C 1 1 6 775 1 1 3 HIS CA C -4.317 3.470 0.451 1.00 . A A . 3 HIS CA 1 1 6 776 1 1 3 HIS CB C -4.949 3.791 -0.904 1.00 . A A . 3 HIS CB 1 1 6 777 1 1 3 HIS CD2 C -6.352 1.670 -1.431 1.00 . A A . 3 HIS CD2 1 1 6 778 1 1 3 HIS CE1 C -8.321 2.626 -1.519 1.00 . A A . 3 HIS CE1 1 1 6 779 1 1 3 HIS CG C -6.198 3.002 -1.191 1.00 . A A . 3 HIS CG 1 1 6 780 1 1 3 HIS H H -5.738 4.806 1.353 1.00 . A A . 3 HIS H 1 1 6 781 1 1 3 HIS HA H -4.261 2.383 0.547 1.00 . A A . 3 HIS HA 1 1 6 782 1 1 3 HIS HB2 H -5.203 4.850 -0.921 1.00 . A A . 3 HIS HB2 1 1 6 783 1 1 3 HIS HB3 H -4.220 3.592 -1.693 1.00 . A A . 3 HIS HB3 1 1 6 784 1 1 3 HIS HD1 H -7.666 4.578 -1.114 1.00 . A A . 3 HIS HD1 1 1 6 785 1 1 3 HIS HD2 H -5.613 0.906 -1.245 1.00 . A A . 3 HIS HD2 1 1 6 786 1 1 3 HIS HE1 H -9.385 2.778 -1.630 1.00 . A A . 3 HIS HE1 1 1 6 787 1 1 3 HIS N N -5.138 4.001 1.533 1.00 . A A . 3 HIS N 1 1 6 788 1 1 3 HIS ND1 N -7.451 3.590 -1.250 1.00 . A A . 3 HIS ND1 1 1 6 789 1 1 3 HIS NE2 N -7.703 1.448 -1.637 1.00 . A A . 3 HIS NE2 1 1 6 790 1 1 3 HIS O O -2.431 4.660 -0.441 1.00 . A A . 3 HIS O 1 1 6 791 1 1 4 TRP C C 0.142 3.369 1.185 1.00 . A A . 4 TRP C 1 1 6 792 1 1 4 TRP CA C -0.871 4.315 1.822 1.00 . A A . 4 TRP CA 1 1 6 793 1 1 4 TRP CB C -0.566 4.481 3.311 1.00 . A A . 4 TRP CB 1 1 6 794 1 1 4 TRP CD1 C -0.951 6.520 4.815 1.00 . A A . 4 TRP CD1 1 1 6 795 1 1 4 TRP CD2 C 0.381 6.912 3.059 1.00 . A A . 4 TRP CD2 1 1 6 796 1 1 4 TRP CE2 C 0.252 8.103 3.798 1.00 . A A . 4 TRP CE2 1 1 6 797 1 1 4 TRP CE3 C 1.175 6.916 1.908 1.00 . A A . 4 TRP CE3 1 1 6 798 1 1 4 TRP CG C -0.396 5.911 3.727 1.00 . A A . 4 TRP CG 1 1 6 799 1 1 4 TRP CH2 C 1.656 9.260 2.293 1.00 . A A . 4 TRP CH2 1 1 6 800 1 1 4 TRP CZ2 C 0.885 9.284 3.424 1.00 . A A . 4 TRP CZ2 1 1 6 801 1 1 4 TRP CZ3 C 1.803 8.089 1.538 1.00 . A A . 4 TRP CZ3 1 1 6 802 1 1 4 TRP H H -2.677 3.299 2.391 1.00 . A A . 4 TRP H 1 1 6 803 1 1 4 TRP HA H -0.800 5.284 1.332 1.00 . A A . 4 TRP HA 1 1 6 804 1 1 4 TRP HB2 H -1.396 4.065 3.880 1.00 . A A . 4 TRP HB2 1 1 6 805 1 1 4 TRP HB3 H 0.343 3.932 3.575 1.00 . A A . 4 TRP HB3 1 1 6 806 1 1 4 TRP HD1 H -1.599 6.037 5.532 1.00 . A A . 4 TRP HD1 1 1 6 807 1 1 4 TRP HE1 H -0.840 8.518 5.574 1.00 . A A . 4 TRP HE1 1 1 6 808 1 1 4 TRP HE3 H 1.311 6.019 1.325 1.00 . A A . 4 TRP HE3 1 1 6 809 1 1 4 TRP HH2 H 2.159 10.163 1.978 1.00 . A A . 4 TRP HH2 1 1 6 810 1 1 4 TRP HZ2 H 0.772 10.189 4.003 1.00 . A A . 4 TRP HZ2 1 1 6 811 1 1 4 TRP HZ3 H 2.417 8.099 0.650 1.00 . A A . 4 TRP HZ3 1 1 6 812 1 1 4 TRP N N -2.232 3.823 1.637 1.00 . A A . 4 TRP N 1 1 6 813 1 1 4 TRP NE1 N -0.567 7.838 4.865 1.00 . A A . 4 TRP NE1 1 1 6 814 1 1 4 TRP O O 0.736 3.684 0.155 1.00 . A A . 4 TRP O 1 1 6 815 1 1 5 ALA C C 0.563 -0.095 0.973 1.00 . A A . 5 ALA C 1 1 6 816 1 1 5 ALA CA C 1.271 1.217 1.296 1.00 . A A . 5 ALA CA 1 1 6 817 1 1 5 ALA CB C 2.387 0.982 2.302 1.00 . A A . 5 ALA CB 1 1 6 818 1 1 5 ALA H H -0.190 2.008 2.656 1.00 . A A . 5 ALA H 1 1 6 819 1 1 5 ALA HA H 1.721 1.584 0.367 1.00 . A A . 5 ALA HA 1 1 6 820 1 1 5 ALA HB1 H 2.123 0.171 2.983 1.00 . A A . 5 ALA HB1 1 1 6 821 1 1 5 ALA HB2 H 2.533 1.896 2.878 1.00 . A A . 5 ALA HB2 1 1 6 822 1 1 5 ALA HB3 H 3.317 0.735 1.788 1.00 . A A . 5 ALA HB3 1 1 6 823 1 1 5 ALA N N 0.332 2.209 1.804 1.00 . A A . 5 ALA N 1 1 6 824 1 1 5 ALA O O 0.388 -0.948 1.843 1.00 . A A . 5 ALA O 1 1 6 825 1 1 6 VAL C C 0.203 -2.120 -1.878 1.00 . A A . 6 VAL C 1 1 6 826 1 1 6 VAL CA C -0.535 -1.456 -0.722 1.00 . A A . 6 VAL CA 1 1 6 827 1 1 6 VAL CB C -1.979 -1.151 -1.154 1.00 . A A . 6 VAL CB 1 1 6 828 1 1 6 VAL CG1 C -1.992 -0.237 -2.371 1.00 . A A . 6 VAL CG1 1 1 6 829 1 1 6 VAL CG2 C -2.734 -2.441 -1.440 1.00 . A A . 6 VAL CG2 1 1 6 830 1 1 6 VAL H H 0.333 0.495 -0.959 1.00 . A A . 6 VAL H 1 1 6 831 1 1 6 VAL HA H -0.575 -2.175 0.100 1.00 . A A . 6 VAL HA 1 1 6 832 1 1 6 VAL HB H -2.478 -0.632 -0.334 1.00 . A A . 6 VAL HB 1 1 6 833 1 1 6 VAL HG11 H -1.650 -0.798 -3.240 1.00 . A A . 6 VAL HG11 1 1 6 834 1 1 6 VAL HG12 H -1.327 0.610 -2.201 1.00 . A A . 6 VAL HG12 1 1 6 835 1 1 6 VAL HG13 H -3.004 0.125 -2.549 1.00 . A A . 6 VAL HG13 1 1 6 836 1 1 6 VAL HG21 H -3.783 -2.217 -1.633 1.00 . A A . 6 VAL HG21 1 1 6 837 1 1 6 VAL HG22 H -2.657 -3.109 -0.582 1.00 . A A . 6 VAL HG22 1 1 6 838 1 1 6 VAL HG23 H -2.299 -2.922 -2.316 1.00 . A A . 6 VAL HG23 1 1 6 839 1 1 6 VAL N N 0.155 -0.248 -0.283 1.00 . A A . 6 VAL N 1 1 6 840 1 1 6 VAL O O 0.808 -1.447 -2.711 1.00 . A A . 6 VAL O 1 1 6 841 1 1 7 GLY C C 2.228 -4.576 -2.616 1.00 . A A . 7 GLY C 1 1 6 842 1 1 7 GLY CA C 0.812 -4.182 -2.985 1.00 . A A . 7 GLY CA 1 1 6 843 1 1 7 GLY H H -0.371 -3.956 -1.208 1.00 . A A . 7 GLY H 1 1 6 844 1 1 7 GLY HA2 H 0.243 -5.090 -3.185 1.00 . A A . 7 GLY HA2 1 1 6 845 1 1 7 GLY HA3 H 0.837 -3.578 -3.896 1.00 . A A . 7 GLY HA3 1 1 6 846 1 1 7 GLY N N 0.147 -3.448 -1.926 1.00 . A A . 7 GLY N 1 1 6 847 1 1 7 GLY O O 3.192 -4.059 -3.183 1.00 . A A . 7 GLY O 1 1 6 848 1 1 8 HIS C C 3.974 -7.339 -1.778 1.00 . A A . 8 HIS C 1 1 6 849 1 1 8 HIS CA C 3.667 -5.954 -1.217 1.00 . A A . 8 HIS CA 1 1 6 850 1 1 8 HIS CB C 3.727 -5.985 0.311 1.00 . A A . 8 HIS CB 1 1 6 851 1 1 8 HIS CD2 C 2.634 -4.417 2.069 1.00 . A A . 8 HIS CD2 1 1 6 852 1 1 8 HIS CE1 C 3.286 -2.509 1.215 1.00 . A A . 8 HIS CE1 1 1 6 853 1 1 8 HIS CG C 3.365 -4.672 0.948 1.00 . A A . 8 HIS CG 1 1 6 854 1 1 8 HIS H H 1.521 -5.884 -1.231 1.00 . A A . 8 HIS H 1 1 6 855 1 1 8 HIS HA H 4.438 -5.263 -1.568 1.00 . A A . 8 HIS HA 1 1 6 856 1 1 8 HIS HB2 H 3.037 -6.747 0.668 1.00 . A A . 8 HIS HB2 1 1 6 857 1 1 8 HIS HB3 H 4.739 -6.256 0.616 1.00 . A A . 8 HIS HB3 1 1 6 858 1 1 8 HIS HD1 H 4.331 -3.312 -0.418 1.00 . A A . 8 HIS HD1 1 1 6 859 1 1 8 HIS HD2 H 2.005 -5.126 2.587 1.00 . A A . 8 HIS HD2 1 1 6 860 1 1 8 HIS HE1 H 3.433 -1.456 1.058 1.00 . A A . 8 HIS HE1 1 1 6 861 1 1 8 HIS N N 2.357 -5.492 -1.662 1.00 . A A . 8 HIS N 1 1 6 862 1 1 8 HIS ND1 N 3.768 -3.455 0.422 1.00 . A A . 8 HIS ND1 1 1 6 863 1 1 8 HIS NE2 N 2.593 -3.044 2.224 1.00 . A A . 8 HIS NE2 1 1 6 864 1 1 8 HIS O O 4.666 -8.138 -1.146 1.00 . A A . 8 HIS O 1 1 6 865 1 1 9 LEU C C 4.682 -8.783 -4.753 1.00 . A A . 9 LEU C 1 1 6 866 1 1 9 LEU CA C 3.673 -8.908 -3.616 1.00 . A A . 9 LEU CA 1 1 6 867 1 1 9 LEU CB C 2.351 -9.463 -4.150 1.00 . A A . 9 LEU CB 1 1 6 868 1 1 9 LEU CD1 C 2.182 -11.342 -2.500 1.00 . A A . 9 LEU CD1 1 1 6 869 1 1 9 LEU CD2 C 0.999 -9.182 -2.058 1.00 . A A . 9 LEU CD2 1 1 6 870 1 1 9 LEU CG C 1.456 -10.163 -3.128 1.00 . A A . 9 LEU CG 1 1 6 871 1 1 9 LEU H H 2.889 -6.915 -3.445 1.00 . A A . 9 LEU H 1 1 6 872 1 1 9 LEU HA H 4.073 -9.615 -2.895 1.00 . A A . 9 LEU HA 1 1 6 873 1 1 9 LEU HB2 H 1.787 -8.632 -4.567 1.00 . A A . 9 LEU HB2 1 1 6 874 1 1 9 LEU HB3 H 2.554 -10.174 -4.954 1.00 . A A . 9 LEU HB3 1 1 6 875 1 1 9 LEU HD11 H 2.854 -11.799 -3.228 1.00 . A A . 9 LEU HD11 1 1 6 876 1 1 9 LEU HD12 H 1.451 -12.085 -2.176 1.00 . A A . 9 LEU HD12 1 1 6 877 1 1 9 LEU HD13 H 2.759 -11.016 -1.633 1.00 . A A . 9 LEU HD13 1 1 6 878 1 1 9 LEU HD21 H 0.540 -8.314 -2.532 1.00 . A A . 9 LEU HD21 1 1 6 879 1 1 9 LEU HD22 H 1.855 -8.862 -1.468 1.00 . A A . 9 LEU HD22 1 1 6 880 1 1 9 LEU HD23 H 0.270 -9.665 -1.408 1.00 . A A . 9 LEU HD23 1 1 6 881 1 1 9 LEU HG H 0.570 -10.538 -3.647 1.00 . A A . 9 LEU HG 1 1 6 882 1 1 9 LEU N N 3.454 -7.618 -2.969 1.00 . A A . 9 LEU N 1 1 6 883 1 1 9 LEU O O 4.665 -9.569 -5.700 1.00 . A A . 9 LEU O 1 1 6 884 1 1 10 MET C C 7.521 -8.764 -5.772 1.00 . A A . 10 MET C 1 1 6 885 1 1 10 MET CA C 6.581 -7.567 -5.669 1.00 . A A . 10 MET CA 1 1 6 886 1 1 10 MET CB C 7.379 -6.302 -5.351 1.00 . A A . 10 MET CB 1 1 6 887 1 1 10 MET CE C 10.601 -4.833 -6.677 1.00 . A A . 10 MET CE 1 1 6 888 1 1 10 MET CG C 7.942 -5.611 -6.583 1.00 . A A . 10 MET CG 1 1 6 889 1 1 10 MET H H 5.527 -7.178 -3.838 1.00 . A A . 10 MET H 1 1 6 890 1 1 10 MET HA H 6.077 -7.441 -6.625 1.00 . A A . 10 MET HA 1 1 6 891 1 1 10 MET HB2 H 6.718 -5.610 -4.826 1.00 . A A . 10 MET HB2 1 1 6 892 1 1 10 MET HB3 H 8.208 -6.557 -4.686 1.00 . A A . 10 MET HB3 1 1 6 893 1 1 10 MET HE1 H 10.360 -4.018 -7.360 1.00 . A A . 10 MET HE1 1 1 6 894 1 1 10 MET HE2 H 11.651 -5.104 -6.791 1.00 . A A . 10 MET HE2 1 1 6 895 1 1 10 MET HE3 H 10.419 -4.513 -5.651 1.00 . A A . 10 MET HE3 1 1 6 896 1 1 10 MET HG2 H 7.260 -5.738 -7.421 1.00 . A A . 10 MET HG2 1 1 6 897 1 1 10 MET HG3 H 8.037 -4.542 -6.378 1.00 . A A . 10 MET HG3 1 1 6 898 1 1 10 MET N N 5.561 -7.792 -4.651 1.00 . A A . 10 MET N 1 1 6 899 1 1 10 MET O O 8.314 -8.945 -4.864 1.00 . A A . 10 MET O 1 1 6 900 1 1 10 MET SD S 9.564 -6.245 -7.054 1.00 . A A . 10 MET SD 1 1 7 901 1 1 1 GLY C C -7.402 0.708 3.284 1.00 . A A . 1 GLY C 1 1 7 902 1 1 1 GLY CA C -7.786 -0.622 3.901 1.00 . A A . 1 GLY CA 1 1 7 903 1 1 1 GLY H1 H -7.535 -0.374 5.918 1.00 . A A . 1 GLY H1 1 1 7 904 1 1 1 GLY H2 H -8.878 -1.323 5.486 1.00 . A A . 1 GLY H2 1 1 7 905 1 1 1 GLY H3 H -8.924 0.364 5.287 1.00 . A A . 1 GLY H3 1 1 7 906 1 1 1 GLY HA2 H -6.904 -1.259 3.939 1.00 . A A . 1 GLY HA2 1 1 7 907 1 1 1 GLY HA3 H -8.538 -1.098 3.272 1.00 . A A . 1 GLY HA3 1 1 7 908 1 1 1 GLY N N -8.319 -0.479 5.243 1.00 . A A . 1 GLY N 1 1 7 909 1 1 1 GLY O O -8.084 1.205 2.389 1.00 . A A . 1 GLY O 1 1 7 910 1 1 2 ASN C C -5.020 2.382 1.980 1.00 . A A . 2 ASN C 1 1 7 911 1 1 2 ASN CA C -5.833 2.569 3.257 1.00 . A A . 2 ASN CA 1 1 7 912 1 1 2 ASN CB C -4.986 3.280 4.315 1.00 . A A . 2 ASN CB 1 1 7 913 1 1 2 ASN CG C -4.862 4.768 4.052 1.00 . A A . 2 ASN CG 1 1 7 914 1 1 2 ASN H H -5.783 0.822 4.508 1.00 . A A . 2 ASN H 1 1 7 915 1 1 2 ASN HA H -6.695 3.199 3.031 1.00 . A A . 2 ASN HA 1 1 7 916 1 1 2 ASN HB2 H -5.446 3.132 5.292 1.00 . A A . 2 ASN HB2 1 1 7 917 1 1 2 ASN HB3 H -3.986 2.842 4.325 1.00 . A A . 2 ASN HB3 1 1 7 918 1 1 2 ASN HD21 H -6.893 4.994 4.146 1.00 . A A . 2 ASN HD21 1 1 7 919 1 1 2 ASN HD22 H -5.964 6.461 3.822 1.00 . A A . 2 ASN HD22 1 1 7 920 1 1 2 ASN N N -6.306 1.286 3.765 1.00 . A A . 2 ASN N 1 1 7 921 1 1 2 ASN ND2 N -5.996 5.458 4.004 1.00 . A A . 2 ASN ND2 1 1 7 922 1 1 2 ASN O O -4.605 1.269 1.653 1.00 . A A . 2 ASN O 1 1 7 923 1 1 2 ASN OD1 O -3.759 5.292 3.894 1.00 . A A . 2 ASN OD1 1 1 7 924 1 1 3 HIS C C -2.619 3.974 0.233 1.00 . A A . 3 HIS C 1 1 7 925 1 1 3 HIS CA C -4.030 3.435 0.020 1.00 . A A . 3 HIS CA 1 1 7 926 1 1 3 HIS CB C -4.738 4.240 -1.070 1.00 . A A . 3 HIS CB 1 1 7 927 1 1 3 HIS CD2 C -6.232 2.589 -2.406 1.00 . A A . 3 HIS CD2 1 1 7 928 1 1 3 HIS CE1 C -8.177 3.311 -1.705 1.00 . A A . 3 HIS CE1 1 1 7 929 1 1 3 HIS CG C -6.025 3.620 -1.539 1.00 . A A . 3 HIS CG 1 1 7 930 1 1 3 HIS H H -5.167 4.370 1.584 1.00 . A A . 3 HIS H 1 1 7 931 1 1 3 HIS HA H -3.955 2.402 -0.329 1.00 . A A . 3 HIS HA 1 1 7 932 1 1 3 HIS HB2 H -4.962 5.229 -0.673 1.00 . A A . 3 HIS HB2 1 1 7 933 1 1 3 HIS HB3 H -4.066 4.348 -1.924 1.00 . A A . 3 HIS HB3 1 1 7 934 1 1 3 HIS HD1 H -7.444 4.826 -0.454 1.00 . A A . 3 HIS HD1 1 1 7 935 1 1 3 HIS HD2 H -5.494 2.169 -3.074 1.00 . A A . 3 HIS HD2 1 1 7 936 1 1 3 HIS HE1 H -9.243 3.418 -1.566 1.00 . A A . 3 HIS HE1 1 1 7 937 1 1 3 HIS N N -4.795 3.477 1.262 1.00 . A A . 3 HIS N 1 1 7 938 1 1 3 HIS ND1 N -7.265 4.063 -1.107 1.00 . A A . 3 HIS ND1 1 1 7 939 1 1 3 HIS NE2 N -7.601 2.406 -2.500 1.00 . A A . 3 HIS NE2 1 1 7 940 1 1 3 HIS O O -2.038 4.591 -0.660 1.00 . A A . 3 HIS O 1 1 7 941 1 1 4 TRP C C 0.324 3.234 1.223 1.00 . A A . 4 TRP C 1 1 7 942 1 1 4 TRP CA C -0.731 4.201 1.751 1.00 . A A . 4 TRP CA 1 1 7 943 1 1 4 TRP CB C -0.581 4.360 3.264 1.00 . A A . 4 TRP CB 1 1 7 944 1 1 4 TRP CD1 C -1.128 6.388 4.735 1.00 . A A . 4 TRP CD1 1 1 7 945 1 1 4 TRP CD2 C 0.366 6.799 3.118 1.00 . A A . 4 TRP CD2 1 1 7 946 1 1 4 TRP CE2 C 0.155 7.985 3.848 1.00 . A A . 4 TRP CE2 1 1 7 947 1 1 4 TRP CE3 C 1.267 6.817 2.050 1.00 . A A . 4 TRP CE3 1 1 7 948 1 1 4 TRP CG C -0.464 5.789 3.702 1.00 . A A . 4 TRP CG 1 1 7 949 1 1 4 TRP CH2 C 1.690 9.163 2.492 1.00 . A A . 4 TRP CH2 1 1 7 950 1 1 4 TRP CZ2 C 0.813 9.174 3.542 1.00 . A A . 4 TRP CZ2 1 1 7 951 1 1 4 TRP CZ3 C 1.919 7.997 1.748 1.00 . A A . 4 TRP CZ3 1 1 7 952 1 1 4 TRP H H -2.605 3.216 2.118 1.00 . A A . 4 TRP H 1 1 7 953 1 1 4 TRP HA H -0.592 5.166 1.272 1.00 . A A . 4 TRP HA 1 1 7 954 1 1 4 TRP HB2 H -1.461 3.935 3.743 1.00 . A A . 4 TRP HB2 1 1 7 955 1 1 4 TRP HB3 H 0.300 3.816 3.618 1.00 . A A . 4 TRP HB3 1 1 7 956 1 1 4 TRP HD1 H -1.837 5.895 5.383 1.00 . A A . 4 TRP HD1 1 1 7 957 1 1 4 TRP HE1 H -1.106 8.384 5.510 1.00 . A A . 4 TRP HE1 1 1 7 958 1 1 4 TRP HE3 H 1.469 5.926 1.480 1.00 . A A . 4 TRP HE3 1 1 7 959 1 1 4 TRP HH2 H 2.213 10.072 2.233 1.00 . A A . 4 TRP HH2 1 1 7 960 1 1 4 TRP HZ2 H 0.637 10.075 4.111 1.00 . A A . 4 TRP HZ2 1 1 7 961 1 1 4 TRP HZ3 H 2.616 8.017 0.924 1.00 . A A . 4 TRP HZ3 1 1 7 962 1 1 4 TRP N N -2.073 3.737 1.421 1.00 . A A . 4 TRP N 1 1 7 963 1 1 4 TRP NE1 N -0.760 7.709 4.828 1.00 . A A . 4 TRP NE1 1 1 7 964 1 1 4 TRP O O 1.064 3.555 0.293 1.00 . A A . 4 TRP O 1 1 7 965 1 1 5 ALA C C 0.667 -0.310 1.185 1.00 . A A . 5 ALA C 1 1 7 966 1 1 5 ALA CA C 1.350 1.035 1.410 1.00 . A A . 5 ALA CA 1 1 7 967 1 1 5 ALA CB C 2.453 0.902 2.448 1.00 . A A . 5 ALA CB 1 1 7 968 1 1 5 ALA H H -0.253 1.844 2.589 1.00 . A A . 5 ALA H 1 1 7 969 1 1 5 ALA HA H 1.814 1.332 0.465 1.00 . A A . 5 ALA HA 1 1 7 970 1 1 5 ALA HB1 H 2.015 0.605 3.400 1.00 . A A . 5 ALA HB1 1 1 7 971 1 1 5 ALA HB2 H 2.961 1.860 2.563 1.00 . A A . 5 ALA HB2 1 1 7 972 1 1 5 ALA HB3 H 3.171 0.147 2.127 1.00 . A A . 5 ALA HB3 1 1 7 973 1 1 5 ALA N N 0.387 2.049 1.822 1.00 . A A . 5 ALA N 1 1 7 974 1 1 5 ALA O O 0.721 -1.195 2.039 1.00 . A A . 5 ALA O 1 1 7 975 1 1 6 VAL C C -0.204 -2.233 -1.656 1.00 . A A . 6 VAL C 1 1 7 976 1 1 6 VAL CA C -0.667 -1.696 -0.308 1.00 . A A . 6 VAL CA 1 1 7 977 1 1 6 VAL CB C -2.192 -1.493 -0.342 1.00 . A A . 6 VAL CB 1 1 7 978 1 1 6 VAL CG1 C -2.569 -0.447 -1.381 1.00 . A A . 6 VAL CG1 1 1 7 979 1 1 6 VAL CG2 C -2.898 -2.811 -0.621 1.00 . A A . 6 VAL CG2 1 1 7 980 1 1 6 VAL H H 0.022 0.311 -0.640 1.00 . A A . 6 VAL H 1 1 7 981 1 1 6 VAL HA H -0.445 -2.457 0.444 1.00 . A A . 6 VAL HA 1 1 7 982 1 1 6 VAL HB H -2.510 -1.131 0.636 1.00 . A A . 6 VAL HB 1 1 7 983 1 1 6 VAL HG11 H -2.384 -0.852 -2.376 1.00 . A A . 6 VAL HG11 1 1 7 984 1 1 6 VAL HG12 H -1.965 0.449 -1.236 1.00 . A A . 6 VAL HG12 1 1 7 985 1 1 6 VAL HG13 H -3.624 -0.195 -1.282 1.00 . A A . 6 VAL HG13 1 1 7 986 1 1 6 VAL HG21 H -2.723 -3.096 -1.659 1.00 . A A . 6 VAL HG21 1 1 7 987 1 1 6 VAL HG22 H -3.968 -2.698 -0.450 1.00 . A A . 6 VAL HG22 1 1 7 988 1 1 6 VAL HG23 H -2.504 -3.585 0.039 1.00 . A A . 6 VAL HG23 1 1 7 989 1 1 6 VAL N N 0.026 -0.458 0.030 1.00 . A A . 6 VAL N 1 1 7 990 1 1 6 VAL O O 0.002 -1.473 -2.602 1.00 . A A . 6 VAL O 1 1 7 991 1 1 7 GLY C C 1.850 -4.580 -2.939 1.00 . A A . 7 GLY C 1 1 7 992 1 1 7 GLY CA C 0.391 -4.168 -2.979 1.00 . A A . 7 GLY CA 1 1 7 993 1 1 7 GLY H H -0.232 -4.132 -0.924 1.00 . A A . 7 GLY H 1 1 7 994 1 1 7 GLY HA2 H -0.211 -5.061 -3.145 1.00 . A A . 7 GLY HA2 1 1 7 995 1 1 7 GLY HA3 H 0.239 -3.486 -3.819 1.00 . A A . 7 GLY HA3 1 1 7 996 1 1 7 GLY N N -0.045 -3.550 -1.741 1.00 . A A . 7 GLY N 1 1 7 997 1 1 7 GLY O O 2.492 -4.717 -3.981 1.00 . A A . 7 GLY O 1 1 7 998 1 1 8 HIS C C 3.878 -6.669 -1.293 1.00 . A A . 8 HIS C 1 1 7 999 1 1 8 HIS CA C 3.769 -5.172 -1.563 1.00 . A A . 8 HIS CA 1 1 7 1000 1 1 8 HIS CB C 4.410 -4.386 -0.419 1.00 . A A . 8 HIS CB 1 1 7 1001 1 1 8 HIS CD2 C 5.923 -2.670 -1.648 1.00 . A A . 8 HIS CD2 1 1 7 1002 1 1 8 HIS CE1 C 4.980 -0.845 -0.892 1.00 . A A . 8 HIS CE1 1 1 7 1003 1 1 8 HIS CG C 4.900 -3.022 -0.819 1.00 . A A . 8 HIS CG 1 1 7 1004 1 1 8 HIS H H 1.792 -4.647 -0.907 1.00 . A A . 8 HIS H 1 1 7 1005 1 1 8 HIS HA H 4.326 -4.952 -2.478 1.00 . A A . 8 HIS HA 1 1 7 1006 1 1 8 HIS HB2 H 3.666 -4.260 0.364 1.00 . A A . 8 HIS HB2 1 1 7 1007 1 1 8 HIS HB3 H 5.255 -4.945 -0.011 1.00 . A A . 8 HIS HB3 1 1 7 1008 1 1 8 HIS HD1 H 3.525 -1.789 0.289 1.00 . A A . 8 HIS HD1 1 1 7 1009 1 1 8 HIS HD2 H 6.431 -3.328 -2.337 1.00 . A A . 8 HIS HD2 1 1 7 1010 1 1 8 HIS HE1 H 4.756 0.196 -0.713 1.00 . A A . 8 HIS HE1 1 1 7 1011 1 1 8 HIS N N 2.376 -4.775 -1.734 1.00 . A A . 8 HIS N 1 1 7 1012 1 1 8 HIS ND1 N 4.316 -1.857 -0.351 1.00 . A A . 8 HIS ND1 1 1 7 1013 1 1 8 HIS NE2 N 5.961 -1.288 -1.683 1.00 . A A . 8 HIS NE2 1 1 7 1014 1 1 8 HIS O O 4.831 -7.129 -0.663 1.00 . A A . 8 HIS O 1 1 7 1015 1 1 9 LEU C C 2.345 -9.579 -2.820 1.00 . A A . 9 LEU C 1 1 7 1016 1 1 9 LEU CA C 2.880 -8.871 -1.580 1.00 . A A . 9 LEU CA 1 1 7 1017 1 1 9 LEU CB C 2.029 -9.235 -0.363 1.00 . A A . 9 LEU CB 1 1 7 1018 1 1 9 LEU CD1 C -0.332 -9.517 0.432 1.00 . A A . 9 LEU CD1 1 1 7 1019 1 1 9 LEU CD2 C 0.698 -7.239 0.362 1.00 . A A . 9 LEU CD2 1 1 7 1020 1 1 9 LEU CG C 0.637 -8.605 -0.305 1.00 . A A . 9 LEU CG 1 1 7 1021 1 1 9 LEU H H 2.135 -6.982 -2.289 1.00 . A A . 9 LEU H 1 1 7 1022 1 1 9 LEU HA H 3.903 -9.220 -1.413 1.00 . A A . 9 LEU HA 1 1 7 1023 1 1 9 LEU HB2 H 1.921 -10.322 -0.356 1.00 . A A . 9 LEU HB2 1 1 7 1024 1 1 9 LEU HB3 H 2.584 -8.946 0.532 1.00 . A A . 9 LEU HB3 1 1 7 1025 1 1 9 LEU HD11 H 0.100 -9.792 1.394 1.00 . A A . 9 LEU HD11 1 1 7 1026 1 1 9 LEU HD12 H -0.515 -10.417 -0.155 1.00 . A A . 9 LEU HD12 1 1 7 1027 1 1 9 LEU HD13 H -1.272 -8.991 0.594 1.00 . A A . 9 LEU HD13 1 1 7 1028 1 1 9 LEU HD21 H -0.309 -6.827 0.425 1.00 . A A . 9 LEU HD21 1 1 7 1029 1 1 9 LEU HD22 H 1.327 -6.562 -0.211 1.00 . A A . 9 LEU HD22 1 1 7 1030 1 1 9 LEU HD23 H 1.104 -7.349 1.367 1.00 . A A . 9 LEU HD23 1 1 7 1031 1 1 9 LEU HG H 0.280 -8.479 -1.328 1.00 . A A . 9 LEU HG 1 1 7 1032 1 1 9 LEU N N 2.895 -7.424 -1.771 1.00 . A A . 9 LEU N 1 1 7 1033 1 1 9 LEU O O 1.634 -8.982 -3.628 1.00 . A A . 9 LEU O 1 1 7 1034 1 1 10 MET C C 2.084 -13.113 -3.719 1.00 . A A . 10 MET C 1 1 7 1035 1 1 10 MET CA C 2.239 -11.644 -4.103 1.00 . A A . 10 MET CA 1 1 7 1036 1 1 10 MET CB C 3.227 -11.509 -5.264 1.00 . A A . 10 MET CB 1 1 7 1037 1 1 10 MET CE C 7.274 -11.757 -4.990 1.00 . A A . 10 MET CE 1 1 7 1038 1 1 10 MET CG C 4.544 -12.232 -5.029 1.00 . A A . 10 MET CG 1 1 7 1039 1 1 10 MET H H 3.281 -11.291 -2.257 1.00 . A A . 10 MET H 1 1 7 1040 1 1 10 MET HA H 1.264 -11.276 -4.430 1.00 . A A . 10 MET HA 1 1 7 1041 1 1 10 MET HB2 H 2.767 -11.913 -6.166 1.00 . A A . 10 MET HB2 1 1 7 1042 1 1 10 MET HB3 H 3.436 -10.450 -5.420 1.00 . A A . 10 MET HB3 1 1 7 1043 1 1 10 MET HE1 H 7.137 -11.083 -4.144 1.00 . A A . 10 MET HE1 1 1 7 1044 1 1 10 MET HE2 H 7.350 -12.782 -4.630 1.00 . A A . 10 MET HE2 1 1 7 1045 1 1 10 MET HE3 H 8.186 -11.490 -5.524 1.00 . A A . 10 MET HE3 1 1 7 1046 1 1 10 MET HG2 H 4.841 -12.082 -3.991 1.00 . A A . 10 MET HG2 1 1 7 1047 1 1 10 MET HG3 H 4.402 -13.299 -5.209 1.00 . A A . 10 MET HG3 1 1 7 1048 1 1 10 MET N N 2.689 -10.854 -2.963 1.00 . A A . 10 MET N 1 1 7 1049 1 1 10 MET O O 2.770 -13.539 -2.804 1.00 . A A . 10 MET O 1 1 7 1050 1 1 10 MET SD S 5.868 -11.623 -6.092 1.00 . A A . 10 MET SD 1 1 8 1051 1 1 1 GLY C C -7.745 5.614 0.003 1.00 . A A . 1 GLY C 1 1 8 1052 1 1 1 GLY CA C -8.267 6.662 -0.959 1.00 . A A . 1 GLY CA 1 1 8 1053 1 1 1 GLY H1 H -10.109 5.999 -0.363 1.00 . A A . 1 GLY H1 1 1 8 1054 1 1 1 GLY H2 H -9.967 6.278 -2.034 1.00 . A A . 1 GLY H2 1 1 8 1055 1 1 1 GLY H3 H -10.095 7.586 -0.956 1.00 . A A . 1 GLY H3 1 1 8 1056 1 1 1 GLY HA2 H -7.822 6.492 -1.939 1.00 . A A . 1 GLY HA2 1 1 8 1057 1 1 1 GLY HA3 H -7.967 7.647 -0.602 1.00 . A A . 1 GLY HA3 1 1 8 1058 1 1 1 GLY N N -9.712 6.629 -1.087 1.00 . A A . 1 GLY N 1 1 8 1059 1 1 1 GLY O O -8.015 4.425 -0.159 1.00 . A A . 1 GLY O 1 1 8 1060 1 1 2 ASN C C -5.501 4.130 1.339 1.00 . A A . 2 ASN C 1 1 8 1061 1 1 2 ASN CA C -6.431 5.145 1.998 1.00 . A A . 2 ASN CA 1 1 8 1062 1 1 2 ASN CB C -7.550 4.418 2.747 1.00 . A A . 2 ASN CB 1 1 8 1063 1 1 2 ASN CG C -8.691 5.344 3.123 1.00 . A A . 2 ASN CG 1 1 8 1064 1 1 2 ASN H H -6.805 7.055 1.084 1.00 . A A . 2 ASN H 1 1 8 1065 1 1 2 ASN HA H -5.859 5.727 2.721 1.00 . A A . 2 ASN HA 1 1 8 1066 1 1 2 ASN HB2 H -7.948 3.629 2.107 1.00 . A A . 2 ASN HB2 1 1 8 1067 1 1 2 ASN HB3 H -7.140 3.969 3.652 1.00 . A A . 2 ASN HB3 1 1 8 1068 1 1 2 ASN HD21 H -7.508 6.311 4.483 1.00 . A A . 2 ASN HD21 1 1 8 1069 1 1 2 ASN HD22 H -9.165 6.906 4.333 1.00 . A A . 2 ASN HD22 1 1 8 1070 1 1 2 ASN N N -6.994 6.055 1.007 1.00 . A A . 2 ASN N 1 1 8 1071 1 1 2 ASN ND2 N -8.431 6.257 4.051 1.00 . A A . 2 ASN ND2 1 1 8 1072 1 1 2 ASN O O -5.468 2.961 1.725 1.00 . A A . 2 ASN O 1 1 8 1073 1 1 2 ASN OD1 O -9.793 5.239 2.583 1.00 . A A . 2 ASN OD1 1 1 8 1074 1 1 3 HIS C C -2.372 4.086 -0.042 1.00 . A A . 3 HIS C 1 1 8 1075 1 1 3 HIS CA C -3.817 3.718 -0.369 1.00 . A A . 3 HIS CA 1 1 8 1076 1 1 3 HIS CB C -4.051 3.814 -1.878 1.00 . A A . 3 HIS CB 1 1 8 1077 1 1 3 HIS CD2 C -6.105 3.403 -3.414 1.00 . A A . 3 HIS CD2 1 1 8 1078 1 1 3 HIS CE1 C -7.010 1.767 -2.273 1.00 . A A . 3 HIS CE1 1 1 8 1079 1 1 3 HIS CG C -5.327 3.152 -2.325 1.00 . A A . 3 HIS CG 1 1 8 1080 1 1 3 HIS H H -4.822 5.566 0.068 1.00 . A A . 3 HIS H 1 1 8 1081 1 1 3 HIS HA H -3.980 2.678 -0.074 1.00 . A A . 3 HIS HA 1 1 8 1082 1 1 3 HIS HB2 H -4.088 4.866 -2.154 1.00 . A A . 3 HIS HB2 1 1 8 1083 1 1 3 HIS HB3 H -3.214 3.343 -2.398 1.00 . A A . 3 HIS HB3 1 1 8 1084 1 1 3 HIS HD1 H -5.568 1.700 -0.752 1.00 . A A . 3 HIS HD1 1 1 8 1085 1 1 3 HIS HD2 H -6.041 4.274 -4.049 1.00 . A A . 3 HIS HD2 1 1 8 1086 1 1 3 HIS HE1 H -7.684 0.982 -1.963 1.00 . A A . 3 HIS HE1 1 1 8 1087 1 1 3 HIS N N -4.748 4.586 0.343 1.00 . A A . 3 HIS N 1 1 8 1088 1 1 3 HIS ND1 N -5.913 2.117 -1.616 1.00 . A A . 3 HIS ND1 1 1 8 1089 1 1 3 HIS NE2 N -7.168 2.517 -3.367 1.00 . A A . 3 HIS NE2 1 1 8 1090 1 1 3 HIS O O -1.618 4.513 -0.916 1.00 . A A . 3 HIS O 1 1 8 1091 1 1 4 TRP C C 0.312 3.087 1.354 1.00 . A A . 4 TRP C 1 1 8 1092 1 1 4 TRP CA C -0.643 4.235 1.662 1.00 . A A . 4 TRP CA 1 1 8 1093 1 1 4 TRP CB C -0.631 4.536 3.162 1.00 . A A . 4 TRP CB 1 1 8 1094 1 1 4 TRP CD1 C -1.111 6.768 4.326 1.00 . A A . 4 TRP CD1 1 1 8 1095 1 1 4 TRP CD2 C 0.648 6.812 2.940 1.00 . A A . 4 TRP CD2 1 1 8 1096 1 1 4 TRP CE2 C 0.493 8.091 3.511 1.00 . A A . 4 TRP CE2 1 1 8 1097 1 1 4 TRP CE3 C 1.691 6.601 2.034 1.00 . A A . 4 TRP CE3 1 1 8 1098 1 1 4 TRP CG C -0.388 5.982 3.475 1.00 . A A . 4 TRP CG 1 1 8 1099 1 1 4 TRP CH2 C 2.357 8.915 2.314 1.00 . A A . 4 TRP CH2 1 1 8 1100 1 1 4 TRP CZ2 C 1.343 9.150 3.204 1.00 . A A . 4 TRP CZ2 1 1 8 1101 1 1 4 TRP CZ3 C 2.534 7.653 1.731 1.00 . A A . 4 TRP CZ3 1 1 8 1102 1 1 4 TRP H H -2.668 3.560 1.898 1.00 . A A . 4 TRP H 1 1 8 1103 1 1 4 TRP HA H -0.308 5.118 1.119 1.00 . A A . 4 TRP HA 1 1 8 1104 1 1 4 TRP HB2 H -1.601 4.263 3.573 1.00 . A A . 4 TRP HB2 1 1 8 1105 1 1 4 TRP HB3 H 0.137 3.939 3.663 1.00 . A A . 4 TRP HB3 1 1 8 1106 1 1 4 TRP HD1 H -1.969 6.440 4.894 1.00 . A A . 4 TRP HD1 1 1 8 1107 1 1 4 TRP HE1 H -0.935 8.822 4.904 1.00 . A A . 4 TRP HE1 1 1 8 1108 1 1 4 TRP HE3 H 1.847 5.632 1.587 1.00 . A A . 4 TRP HE3 1 1 8 1109 1 1 4 TRP HH2 H 3.031 9.719 2.057 1.00 . A A . 4 TRP HH2 1 1 8 1110 1 1 4 TRP HZ2 H 1.208 10.125 3.651 1.00 . A A . 4 TRP HZ2 1 1 8 1111 1 1 4 TRP HZ3 H 3.342 7.495 1.033 1.00 . A A . 4 TRP HZ3 1 1 8 1112 1 1 4 TRP N N -1.996 3.920 1.220 1.00 . A A . 4 TRP N 1 1 8 1113 1 1 4 TRP NE1 N -0.587 8.038 4.353 1.00 . A A . 4 TRP NE1 1 1 8 1114 1 1 4 TRP O O 1.165 3.196 0.473 1.00 . A A . 4 TRP O 1 1 8 1115 1 1 5 ALA C C 0.175 -0.444 1.709 1.00 . A A . 5 ALA C 1 1 8 1116 1 1 5 ALA CA C 1.012 0.818 1.887 1.00 . A A . 5 ALA CA 1 1 8 1117 1 1 5 ALA CB C 1.970 0.658 3.058 1.00 . A A . 5 ALA CB 1 1 8 1118 1 1 5 ALA H H -0.562 1.960 2.801 1.00 . A A . 5 ALA H 1 1 8 1119 1 1 5 ALA HA H 1.610 0.948 0.980 1.00 . A A . 5 ALA HA 1 1 8 1120 1 1 5 ALA HB1 H 2.558 1.568 3.176 1.00 . A A . 5 ALA HB1 1 1 8 1121 1 1 5 ALA HB2 H 2.638 -0.184 2.873 1.00 . A A . 5 ALA HB2 1 1 8 1122 1 1 5 ALA HB3 H 1.398 0.476 3.967 1.00 . A A . 5 ALA HB3 1 1 8 1123 1 1 5 ALA N N 0.163 1.987 2.084 1.00 . A A . 5 ALA N 1 1 8 1124 1 1 5 ALA O O -0.213 -1.087 2.685 1.00 . A A . 5 ALA O 1 1 8 1125 1 1 6 VAL C C -0.411 -2.647 -1.129 1.00 . A A . 6 VAL C 1 1 8 1126 1 1 6 VAL CA C -0.895 -1.981 0.151 1.00 . A A . 6 VAL CA 1 1 8 1127 1 1 6 VAL CB C -2.388 -1.636 0.008 1.00 . A A . 6 VAL CB 1 1 8 1128 1 1 6 VAL CG1 C -3.193 -2.881 -0.332 1.00 . A A . 6 VAL CG1 1 1 8 1129 1 1 6 VAL CG2 C -2.910 -0.983 1.278 1.00 . A A . 6 VAL CG2 1 1 8 1130 1 1 6 VAL H H 0.251 -0.222 -0.311 1.00 . A A . 6 VAL H 1 1 8 1131 1 1 6 VAL HA H -0.796 -2.700 0.967 1.00 . A A . 6 VAL HA 1 1 8 1132 1 1 6 VAL HB H -2.495 -0.927 -0.815 1.00 . A A . 6 VAL HB 1 1 8 1133 1 1 6 VAL HG11 H -4.259 -2.667 -0.240 1.00 . A A . 6 VAL HG11 1 1 8 1134 1 1 6 VAL HG12 H -2.922 -3.678 0.360 1.00 . A A . 6 VAL HG12 1 1 8 1135 1 1 6 VAL HG13 H -2.976 -3.197 -1.352 1.00 . A A . 6 VAL HG13 1 1 8 1136 1 1 6 VAL HG21 H -2.412 -0.025 1.433 1.00 . A A . 6 VAL HG21 1 1 8 1137 1 1 6 VAL HG22 H -2.705 -1.639 2.123 1.00 . A A . 6 VAL HG22 1 1 8 1138 1 1 6 VAL HG23 H -3.984 -0.822 1.196 1.00 . A A . 6 VAL HG23 1 1 8 1139 1 1 6 VAL N N -0.102 -0.794 0.457 1.00 . A A . 6 VAL N 1 1 8 1140 1 1 6 VAL O O -0.242 -1.993 -2.158 1.00 . A A . 6 VAL O 1 1 8 1141 1 1 7 GLY C C 1.703 -4.357 -2.593 1.00 . A A . 7 GLY C 1 1 8 1142 1 1 7 GLY CA C 0.272 -4.693 -2.224 1.00 . A A . 7 GLY CA 1 1 8 1143 1 1 7 GLY H H -0.348 -4.450 -0.183 1.00 . A A . 7 GLY H 1 1 8 1144 1 1 7 GLY HA2 H 0.207 -5.760 -2.011 1.00 . A A . 7 GLY HA2 1 1 8 1145 1 1 7 GLY HA3 H -0.375 -4.461 -3.070 1.00 . A A . 7 GLY HA3 1 1 8 1146 1 1 7 GLY N N -0.190 -3.957 -1.062 1.00 . A A . 7 GLY N 1 1 8 1147 1 1 7 GLY O O 1.952 -3.446 -3.383 1.00 . A A . 7 GLY O 1 1 8 1148 1 1 8 HIS C C 4.680 -6.070 -3.000 1.00 . A A . 8 HIS C 1 1 8 1149 1 1 8 HIS CA C 4.064 -4.867 -2.289 1.00 . A A . 8 HIS CA 1 1 8 1150 1 1 8 HIS CB C 4.815 -4.590 -0.986 1.00 . A A . 8 HIS CB 1 1 8 1151 1 1 8 HIS CD2 C 3.941 -2.773 0.652 1.00 . A A . 8 HIS CD2 1 1 8 1152 1 1 8 HIS CE1 C 4.749 -1.022 -0.383 1.00 . A A . 8 HIS CE1 1 1 8 1153 1 1 8 HIS CG C 4.606 -3.196 -0.460 1.00 . A A . 8 HIS CG 1 1 8 1154 1 1 8 HIS H H 2.381 -5.835 -1.371 1.00 . A A . 8 HIS H 1 1 8 1155 1 1 8 HIS HA H 4.184 -3.993 -2.937 1.00 . A A . 8 HIS HA 1 1 8 1156 1 1 8 HIS HB2 H 4.476 -5.300 -0.234 1.00 . A A . 8 HIS HB2 1 1 8 1157 1 1 8 HIS HB3 H 5.886 -4.734 -1.145 1.00 . A A . 8 HIS HB3 1 1 8 1158 1 1 8 HIS HD1 H 5.654 -2.064 -1.963 1.00 . A A . 8 HIS HD1 1 1 8 1159 1 1 8 HIS HD2 H 3.266 -3.369 1.249 1.00 . A A . 8 HIS HD2 1 1 8 1160 1 1 8 HIS HE1 H 4.997 -0.001 -0.633 1.00 . A A . 8 HIS HE1 1 1 8 1161 1 1 8 HIS N N 2.649 -5.093 -2.018 1.00 . A A . 8 HIS N 1 1 8 1162 1 1 8 HIS ND1 N 5.109 -2.077 -1.101 1.00 . A A . 8 HIS ND1 1 1 8 1163 1 1 8 HIS NE2 N 4.041 -1.395 0.686 1.00 . A A . 8 HIS NE2 1 1 8 1164 1 1 8 HIS O O 5.840 -6.413 -2.769 1.00 . A A . 8 HIS O 1 1 8 1165 1 1 9 LEU C C 5.192 -7.447 -5.816 1.00 . A A . 9 LEU C 1 1 8 1166 1 1 9 LEU CA C 4.363 -7.869 -4.608 1.00 . A A . 9 LEU CA 1 1 8 1167 1 1 9 LEU CB C 3.175 -8.719 -5.061 1.00 . A A . 9 LEU CB 1 1 8 1168 1 1 9 LEU CD1 C 2.215 -11.010 -5.402 1.00 . A A . 9 LEU CD1 1 1 8 1169 1 1 9 LEU CD2 C 4.176 -10.265 -6.764 1.00 . A A . 9 LEU CD2 1 1 8 1170 1 1 9 LEU CG C 3.487 -10.176 -5.410 1.00 . A A . 9 LEU CG 1 1 8 1171 1 1 9 LEU H H 2.944 -6.368 -4.014 1.00 . A A . 9 LEU H 1 1 8 1172 1 1 9 LEU HA H 4.986 -8.480 -3.955 1.00 . A A . 9 LEU HA 1 1 8 1173 1 1 9 LEU HB2 H 2.445 -8.711 -4.251 1.00 . A A . 9 LEU HB2 1 1 8 1174 1 1 9 LEU HB3 H 2.722 -8.241 -5.932 1.00 . A A . 9 LEU HB3 1 1 8 1175 1 1 9 LEU HD11 H 1.753 -10.972 -4.415 1.00 . A A . 9 LEU HD11 1 1 8 1176 1 1 9 LEU HD12 H 2.454 -12.043 -5.652 1.00 . A A . 9 LEU HD12 1 1 8 1177 1 1 9 LEU HD13 H 1.522 -10.609 -6.142 1.00 . A A . 9 LEU HD13 1 1 8 1178 1 1 9 LEU HD21 H 4.190 -11.305 -7.094 1.00 . A A . 9 LEU HD21 1 1 8 1179 1 1 9 LEU HD22 H 5.200 -9.902 -6.687 1.00 . A A . 9 LEU HD22 1 1 8 1180 1 1 9 LEU HD23 H 3.631 -9.665 -7.492 1.00 . A A . 9 LEU HD23 1 1 8 1181 1 1 9 LEU HG H 4.160 -10.573 -4.649 1.00 . A A . 9 LEU HG 1 1 8 1182 1 1 9 LEU N N 3.895 -6.705 -3.863 1.00 . A A . 9 LEU N 1 1 8 1183 1 1 9 LEU O O 4.717 -6.709 -6.679 1.00 . A A . 9 LEU O 1 1 8 1184 1 1 10 MET C C 6.980 -8.414 -8.217 1.00 . A A . 10 MET C 1 1 8 1185 1 1 10 MET CA C 7.325 -7.594 -6.978 1.00 . A A . 10 MET CA 1 1 8 1186 1 1 10 MET CB C 8.780 -7.845 -6.577 1.00 . A A . 10 MET CB 1 1 8 1187 1 1 10 MET CE C 11.254 -5.193 -5.761 1.00 . A A . 10 MET CE 1 1 8 1188 1 1 10 MET CG C 9.225 -7.039 -5.367 1.00 . A A . 10 MET CG 1 1 8 1189 1 1 10 MET H H 6.767 -8.532 -5.128 1.00 . A A . 10 MET H 1 1 8 1190 1 1 10 MET HA H 7.213 -6.537 -7.218 1.00 . A A . 10 MET HA 1 1 8 1191 1 1 10 MET HB2 H 8.901 -8.906 -6.359 1.00 . A A . 10 MET HB2 1 1 8 1192 1 1 10 MET HB3 H 9.421 -7.583 -7.419 1.00 . A A . 10 MET HB3 1 1 8 1193 1 1 10 MET HE1 H 11.619 -5.149 -4.734 1.00 . A A . 10 MET HE1 1 1 8 1194 1 1 10 MET HE2 H 11.662 -6.076 -6.254 1.00 . A A . 10 MET HE2 1 1 8 1195 1 1 10 MET HE3 H 11.571 -4.299 -6.297 1.00 . A A . 10 MET HE3 1 1 8 1196 1 1 10 MET HG2 H 8.461 -7.126 -4.596 1.00 . A A . 10 MET HG2 1 1 8 1197 1 1 10 MET HG3 H 10.161 -7.450 -4.986 1.00 . A A . 10 MET HG3 1 1 8 1198 1 1 10 MET N N 6.432 -7.921 -5.873 1.00 . A A . 10 MET N 1 1 8 1199 1 1 10 MET O O 7.480 -9.522 -8.325 1.00 . A A . 10 MET O 1 1 8 1200 1 1 10 MET SD S 9.466 -5.293 -5.748 1.00 . A A . 10 MET SD 1 1 9 1201 1 1 1 GLY C C -8.411 4.818 1.461 1.00 . A A . 1 GLY C 1 1 9 1202 1 1 1 GLY CA C -9.760 4.632 2.127 1.00 . A A . 1 GLY CA 1 1 9 1203 1 1 1 GLY H1 H -10.720 3.094 1.174 1.00 . A A . 1 GLY H1 1 1 9 1204 1 1 1 GLY H2 H -10.593 4.522 0.262 1.00 . A A . 1 GLY H2 1 1 9 1205 1 1 1 GLY H3 H -11.710 4.422 1.538 1.00 . A A . 1 GLY H3 1 1 9 1206 1 1 1 GLY HA2 H -10.092 5.591 2.526 1.00 . A A . 1 GLY HA2 1 1 9 1207 1 1 1 GLY HA3 H -9.653 3.925 2.950 1.00 . A A . 1 GLY HA3 1 1 9 1208 1 1 1 GLY N N -10.767 4.132 1.211 1.00 . A A . 1 GLY N 1 1 9 1209 1 1 1 GLY O O -8.165 4.278 0.383 1.00 . A A . 1 GLY O 1 1 9 1210 1 1 2 ASN C C -5.426 4.540 1.395 1.00 . A A . 2 ASN C 1 1 9 1211 1 1 2 ASN CA C -6.205 5.841 1.565 1.00 . A A . 2 ASN CA 1 1 9 1212 1 1 2 ASN CB C -5.436 6.793 2.483 1.00 . A A . 2 ASN CB 1 1 9 1213 1 1 2 ASN CG C -5.850 8.239 2.294 1.00 . A A . 2 ASN CG 1 1 9 1214 1 1 2 ASN H H -7.802 6.004 2.995 1.00 . A A . 2 ASN H 1 1 9 1215 1 1 2 ASN HA H -6.307 6.314 0.587 1.00 . A A . 2 ASN HA 1 1 9 1216 1 1 2 ASN HB2 H -5.633 6.512 3.517 1.00 . A A . 2 ASN HB2 1 1 9 1217 1 1 2 ASN HB3 H -4.364 6.704 2.290 1.00 . A A . 2 ASN HB3 1 1 9 1218 1 1 2 ASN HD21 H -4.123 8.640 1.271 1.00 . A A . 2 ASN HD21 1 1 9 1219 1 1 2 ASN HD22 H -5.242 9.993 1.463 1.00 . A A . 2 ASN HD22 1 1 9 1220 1 1 2 ASN N N -7.536 5.584 2.104 1.00 . A A . 2 ASN N 1 1 9 1221 1 1 2 ASN ND2 N -5.004 9.014 1.623 1.00 . A A . 2 ASN ND2 1 1 9 1222 1 1 2 ASN O O -5.484 3.653 2.247 1.00 . A A . 2 ASN O 1 1 9 1223 1 1 2 ASN OD1 O -6.918 8.655 2.744 1.00 . A A . 2 ASN OD1 1 1 9 1224 1 1 3 HIS C C -2.415 3.533 0.147 1.00 . A A . 3 HIS C 1 1 9 1225 1 1 3 HIS CA C -3.905 3.241 0.007 1.00 . A A . 3 HIS CA 1 1 9 1226 1 1 3 HIS CB C -4.205 2.722 -1.400 1.00 . A A . 3 HIS CB 1 1 9 1227 1 1 3 HIS CD2 C -5.650 0.605 -1.816 1.00 . A A . 3 HIS CD2 1 1 9 1228 1 1 3 HIS CE1 C -7.605 1.485 -1.372 1.00 . A A . 3 HIS CE1 1 1 9 1229 1 1 3 HIS CG C -5.471 1.914 -1.483 1.00 . A A . 3 HIS CG 1 1 9 1230 1 1 3 HIS H H -4.689 5.203 -0.381 1.00 . A A . 3 HIS H 1 1 9 1231 1 1 3 HIS HA H -4.160 2.451 0.718 1.00 . A A . 3 HIS HA 1 1 9 1232 1 1 3 HIS HB2 H -4.303 3.577 -2.067 1.00 . A A . 3 HIS HB2 1 1 9 1233 1 1 3 HIS HB3 H -3.377 2.099 -1.748 1.00 . A A . 3 HIS HB3 1 1 9 1234 1 1 3 HIS HD1 H -6.914 3.414 -0.927 1.00 . A A . 3 HIS HD1 1 1 9 1235 1 1 3 HIS HD2 H -4.872 -0.142 -1.876 1.00 . A A . 3 HIS HD2 1 1 9 1236 1 1 3 HIS HE1 H -8.669 1.603 -1.228 1.00 . A A . 3 HIS HE1 1 1 9 1237 1 1 3 HIS N N -4.697 4.434 0.289 1.00 . A A . 3 HIS N 1 1 9 1238 1 1 3 HIS ND1 N -6.716 2.453 -1.206 1.00 . A A . 3 HIS ND1 1 1 9 1239 1 1 3 HIS NE2 N -7.008 0.349 -1.740 1.00 . A A . 3 HIS NE2 1 1 9 1240 1 1 3 HIS O O -1.645 3.345 -0.795 1.00 . A A . 3 HIS O 1 1 9 1241 1 1 4 TRP C C 0.285 3.136 1.243 1.00 . A A . 4 TRP C 1 1 9 1242 1 1 4 TRP CA C -0.617 4.315 1.588 1.00 . A A . 4 TRP CA 1 1 9 1243 1 1 4 TRP CB C -0.428 4.707 3.055 1.00 . A A . 4 TRP CB 1 1 9 1244 1 1 4 TRP CD1 C -1.246 6.895 4.109 1.00 . A A . 4 TRP CD1 1 1 9 1245 1 1 4 TRP CD2 C 0.447 7.145 2.663 1.00 . A A . 4 TRP CD2 1 1 9 1246 1 1 4 TRP CE2 C 0.094 8.412 3.167 1.00 . A A . 4 TRP CE2 1 1 9 1247 1 1 4 TRP CE3 C 1.489 7.054 1.737 1.00 . A A . 4 TRP CE3 1 1 9 1248 1 1 4 TRP CG C -0.423 6.189 3.279 1.00 . A A . 4 TRP CG 1 1 9 1249 1 1 4 TRP CH2 C 1.765 9.459 1.864 1.00 . A A . 4 TRP CH2 1 1 9 1250 1 1 4 TRP CZ2 C 0.748 9.577 2.773 1.00 . A A . 4 TRP CZ2 1 1 9 1251 1 1 4 TRP CZ3 C 2.136 8.211 1.347 1.00 . A A . 4 TRP CZ3 1 1 9 1252 1 1 4 TRP H H -2.702 4.127 2.068 1.00 . A A . 4 TRP H 1 1 9 1253 1 1 4 TRP HA H -0.335 5.157 0.956 1.00 . A A . 4 TRP HA 1 1 9 1254 1 1 4 TRP HB2 H -1.249 4.282 3.629 1.00 . A A . 4 TRP HB2 1 1 9 1255 1 1 4 TRP HB3 H 0.512 4.297 3.437 1.00 . A A . 4 TRP HB3 1 1 9 1256 1 1 4 TRP HD1 H -2.022 6.466 4.725 1.00 . A A . 4 TRP HD1 1 1 9 1257 1 1 4 TRP HE1 H -1.400 8.981 4.564 1.00 . A A . 4 TRP HE1 1 1 9 1258 1 1 4 TRP HE3 H 1.783 6.096 1.337 1.00 . A A . 4 TRP HE3 1 1 9 1259 1 1 4 TRP HH2 H 2.289 10.346 1.542 1.00 . A A . 4 TRP HH2 1 1 9 1260 1 1 4 TRP HZ2 H 0.464 10.540 3.170 1.00 . A A . 4 TRP HZ2 1 1 9 1261 1 1 4 TRP HZ3 H 2.943 8.147 0.632 1.00 . A A . 4 TRP HZ3 1 1 9 1262 1 1 4 TRP N N -2.015 3.997 1.326 1.00 . A A . 4 TRP N 1 1 9 1263 1 1 4 TRP NE1 N -0.940 8.233 4.046 1.00 . A A . 4 TRP NE1 1 1 9 1264 1 1 4 TRP O O 0.991 3.155 0.235 1.00 . A A . 4 TRP O 1 1 9 1265 1 1 5 ALA C C 0.196 -0.307 1.629 1.00 . A A . 5 ALA C 1 1 9 1266 1 1 5 ALA CA C 1.071 0.919 1.869 1.00 . A A . 5 ALA CA 1 1 9 1267 1 1 5 ALA CB C 1.996 0.688 3.054 1.00 . A A . 5 ALA CB 1 1 9 1268 1 1 5 ALA H H -0.348 2.155 2.906 1.00 . A A . 5 ALA H 1 1 9 1269 1 1 5 ALA HA H 1.688 1.059 0.973 1.00 . A A . 5 ALA HA 1 1 9 1270 1 1 5 ALA HB1 H 3.018 0.518 2.709 1.00 . A A . 5 ALA HB1 1 1 9 1271 1 1 5 ALA HB2 H 1.670 -0.171 3.646 1.00 . A A . 5 ALA HB2 1 1 9 1272 1 1 5 ALA HB3 H 1.983 1.576 3.685 1.00 . A A . 5 ALA HB3 1 1 9 1273 1 1 5 ALA N N 0.257 2.109 2.086 1.00 . A A . 5 ALA N 1 1 9 1274 1 1 5 ALA O O -0.271 -0.942 2.575 1.00 . A A . 5 ALA O 1 1 9 1275 1 1 6 VAL C C -0.364 -2.406 -1.312 1.00 . A A . 6 VAL C 1 1 9 1276 1 1 6 VAL CA C -0.839 -1.787 -0.004 1.00 . A A . 6 VAL CA 1 1 9 1277 1 1 6 VAL CB C -2.322 -1.400 -0.138 1.00 . A A . 6 VAL CB 1 1 9 1278 1 1 6 VAL CG1 C -3.156 -2.610 -0.531 1.00 . A A . 6 VAL CG1 1 1 9 1279 1 1 6 VAL CG2 C -2.833 -0.788 1.157 1.00 . A A . 6 VAL CG2 1 1 9 1280 1 1 6 VAL H H 0.401 -0.071 -0.380 1.00 . A A . 6 VAL H 1 1 9 1281 1 1 6 VAL HA H -0.761 -2.544 0.779 1.00 . A A . 6 VAL HA 1 1 9 1282 1 1 6 VAL HB H -2.408 -0.655 -0.931 1.00 . A A . 6 VAL HB 1 1 9 1283 1 1 6 VAL HG11 H -2.921 -3.436 0.141 1.00 . A A . 6 VAL HG11 1 1 9 1284 1 1 6 VAL HG12 H -2.929 -2.901 -1.557 1.00 . A A . 6 VAL HG12 1 1 9 1285 1 1 6 VAL HG13 H -4.217 -2.371 -0.453 1.00 . A A . 6 VAL HG13 1 1 9 1286 1 1 6 VAL HG21 H -3.915 -0.666 1.109 1.00 . A A . 6 VAL HG21 1 1 9 1287 1 1 6 VAL HG22 H -2.369 0.185 1.313 1.00 . A A . 6 VAL HG22 1 1 9 1288 1 1 6 VAL HG23 H -2.579 -1.449 1.986 1.00 . A A . 6 VAL HG23 1 1 9 1289 1 1 6 VAL N N -0.020 -0.634 0.360 1.00 . A A . 6 VAL N 1 1 9 1290 1 1 6 VAL O O -0.188 -1.711 -2.312 1.00 . A A . 6 VAL O 1 1 9 1291 1 1 7 GLY C C 1.794 -4.329 -2.678 1.00 . A A . 7 GLY C 1 1 9 1292 1 1 7 GLY CA C 0.292 -4.412 -2.492 1.00 . A A . 7 GLY CA 1 1 9 1293 1 1 7 GLY H H -0.326 -4.247 -0.444 1.00 . A A . 7 GLY H 1 1 9 1294 1 1 7 GLY HA2 H 0.011 -5.461 -2.411 1.00 . A A . 7 GLY HA2 1 1 9 1295 1 1 7 GLY HA3 H -0.198 -3.983 -3.370 1.00 . A A . 7 GLY HA3 1 1 9 1296 1 1 7 GLY N N -0.160 -3.720 -1.301 1.00 . A A . 7 GLY N 1 1 9 1297 1 1 7 GLY O O 2.283 -3.574 -3.519 1.00 . A A . 7 GLY O 1 1 9 1298 1 1 8 HIS C C 4.478 -6.329 -2.755 1.00 . A A . 8 HIS C 1 1 9 1299 1 1 8 HIS CA C 3.986 -5.117 -1.970 1.00 . A A . 8 HIS CA 1 1 9 1300 1 1 8 HIS CB C 4.596 -5.122 -0.568 1.00 . A A . 8 HIS CB 1 1 9 1301 1 1 8 HIS CD2 C 5.300 -2.669 -0.090 1.00 . A A . 8 HIS CD2 1 1 9 1302 1 1 8 HIS CE1 C 3.866 -2.252 1.511 1.00 . A A . 8 HIS CE1 1 1 9 1303 1 1 8 HIS CG C 4.546 -3.784 0.117 1.00 . A A . 8 HIS CG 1 1 9 1304 1 1 8 HIS H H 2.065 -5.712 -1.212 1.00 . A A . 8 HIS H 1 1 9 1305 1 1 8 HIS HA H 4.329 -4.214 -2.482 1.00 . A A . 8 HIS HA 1 1 9 1306 1 1 8 HIS HB2 H 4.048 -5.837 0.043 1.00 . A A . 8 HIS HB2 1 1 9 1307 1 1 8 HIS HB3 H 5.640 -5.438 -0.626 1.00 . A A . 8 HIS HB3 1 1 9 1308 1 1 8 HIS HD1 H 2.946 -4.136 1.517 1.00 . A A . 8 HIS HD1 1 1 9 1309 1 1 8 HIS HD2 H 6.221 -2.626 -0.653 1.00 . A A . 8 HIS HD2 1 1 9 1310 1 1 8 HIS HE1 H 3.322 -1.752 2.295 1.00 . A A . 8 HIS HE1 1 1 9 1311 1 1 8 HIS N N 2.529 -5.107 -1.889 1.00 . A A . 8 HIS N 1 1 9 1312 1 1 8 HIS ND1 N 3.646 -3.502 1.132 1.00 . A A . 8 HIS ND1 1 1 9 1313 1 1 8 HIS NE2 N 4.857 -1.707 0.801 1.00 . A A . 8 HIS NE2 1 1 9 1314 1 1 8 HIS O O 5.422 -7.006 -2.346 1.00 . A A . 8 HIS O 1 1 9 1315 1 1 9 LEU C C 3.785 -7.488 -6.176 1.00 . A A . 9 LEU C 1 1 9 1316 1 1 9 LEU CA C 4.204 -7.727 -4.729 1.00 . A A . 9 LEU CA 1 1 9 1317 1 1 9 LEU CB C 3.560 -9.013 -4.206 1.00 . A A . 9 LEU CB 1 1 9 1318 1 1 9 LEU CD1 C 5.435 -10.675 -4.112 1.00 . A A . 9 LEU CD1 1 1 9 1319 1 1 9 LEU CD2 C 3.105 -11.447 -4.597 1.00 . A A . 9 LEU CD2 1 1 9 1320 1 1 9 LEU CG C 4.112 -10.320 -4.775 1.00 . A A . 9 LEU CG 1 1 9 1321 1 1 9 LEU H H 3.061 -5.995 -4.175 1.00 . A A . 9 LEU H 1 1 9 1322 1 1 9 LEU HA H 5.284 -7.848 -4.699 1.00 . A A . 9 LEU HA 1 1 9 1323 1 1 9 LEU HB2 H 3.678 -9.035 -3.123 1.00 . A A . 9 LEU HB2 1 1 9 1324 1 1 9 LEU HB3 H 2.491 -8.957 -4.432 1.00 . A A . 9 LEU HB3 1 1 9 1325 1 1 9 LEU HD11 H 6.201 -9.949 -4.378 1.00 . A A . 9 LEU HD11 1 1 9 1326 1 1 9 LEU HD12 H 5.749 -11.664 -4.446 1.00 . A A . 9 LEU HD12 1 1 9 1327 1 1 9 LEU HD13 H 5.305 -10.685 -3.030 1.00 . A A . 9 LEU HD13 1 1 9 1328 1 1 9 LEU HD21 H 3.554 -12.391 -4.906 1.00 . A A . 9 LEU HD21 1 1 9 1329 1 1 9 LEU HD22 H 2.219 -11.250 -5.201 1.00 . A A . 9 LEU HD22 1 1 9 1330 1 1 9 LEU HD23 H 2.821 -11.508 -3.546 1.00 . A A . 9 LEU HD23 1 1 9 1331 1 1 9 LEU HG H 4.288 -10.176 -5.842 1.00 . A A . 9 LEU HG 1 1 9 1332 1 1 9 LEU N N 3.832 -6.597 -3.886 1.00 . A A . 9 LEU N 1 1 9 1333 1 1 9 LEU O O 2.601 -7.330 -6.472 1.00 . A A . 9 LEU O 1 1 9 1334 1 1 10 MET C C 3.631 -8.369 -9.058 1.00 . A A . 10 MET C 1 1 9 1335 1 1 10 MET CA C 4.497 -7.248 -8.491 1.00 . A A . 10 MET CA 1 1 9 1336 1 1 10 MET CB C 5.810 -7.157 -9.272 1.00 . A A . 10 MET CB 1 1 9 1337 1 1 10 MET CE C 8.573 -10.122 -10.247 1.00 . A A . 10 MET CE 1 1 9 1338 1 1 10 MET CG C 6.644 -8.426 -9.209 1.00 . A A . 10 MET CG 1 1 9 1339 1 1 10 MET H H 5.727 -7.605 -6.766 1.00 . A A . 10 MET H 1 1 9 1340 1 1 10 MET HA H 3.961 -6.307 -8.599 1.00 . A A . 10 MET HA 1 1 9 1341 1 1 10 MET HB2 H 5.580 -6.952 -10.318 1.00 . A A . 10 MET HB2 1 1 9 1342 1 1 10 MET HB3 H 6.399 -6.330 -8.873 1.00 . A A . 10 MET HB3 1 1 9 1343 1 1 10 MET HE1 H 8.861 -10.292 -9.210 1.00 . A A . 10 MET HE1 1 1 9 1344 1 1 10 MET HE2 H 9.437 -10.277 -10.894 1.00 . A A . 10 MET HE2 1 1 9 1345 1 1 10 MET HE3 H 7.783 -10.820 -10.524 1.00 . A A . 10 MET HE3 1 1 9 1346 1 1 10 MET HG2 H 7.083 -8.506 -8.216 1.00 . A A . 10 MET HG2 1 1 9 1347 1 1 10 MET HG3 H 6.004 -9.289 -9.383 1.00 . A A . 10 MET HG3 1 1 9 1348 1 1 10 MET N N 4.765 -7.464 -7.074 1.00 . A A . 10 MET N 1 1 9 1349 1 1 10 MET O O 3.575 -9.419 -8.440 1.00 . A A . 10 MET O 1 1 9 1350 1 1 10 MET SD S 7.973 -8.444 -10.427 1.00 . A A . 10 MET SD 1 1 10 1351 1 1 1 GLY C C -8.335 3.304 4.535 1.00 . A A . 1 GLY C 1 1 10 1352 1 1 1 GLY CA C -9.277 2.235 5.052 1.00 . A A . 1 GLY CA 1 1 10 1353 1 1 1 GLY H1 H -9.789 3.557 6.530 1.00 . A A . 1 GLY H1 1 1 10 1354 1 1 1 GLY H2 H -9.148 2.086 7.091 1.00 . A A . 1 GLY H2 1 1 10 1355 1 1 1 GLY H3 H -10.737 2.152 6.488 1.00 . A A . 1 GLY H3 1 1 10 1356 1 1 1 GLY HA2 H -8.749 1.282 5.075 1.00 . A A . 1 GLY HA2 1 1 10 1357 1 1 1 GLY HA3 H -10.125 2.153 4.371 1.00 . A A . 1 GLY HA3 1 1 10 1358 1 1 1 GLY N N -9.773 2.528 6.384 1.00 . A A . 1 GLY N 1 1 10 1359 1 1 1 GLY O O -8.685 4.481 4.494 1.00 . A A . 1 GLY O 1 1 10 1360 1 1 2 ASN C C -5.324 3.185 2.503 1.00 . A A . 2 ASN C 1 1 10 1361 1 1 2 ASN CA C -6.137 3.823 3.626 1.00 . A A . 2 ASN CA 1 1 10 1362 1 1 2 ASN CB C -5.206 4.277 4.751 1.00 . A A . 2 ASN CB 1 1 10 1363 1 1 2 ASN CG C -4.572 5.626 4.468 1.00 . A A . 2 ASN CG 1 1 10 1364 1 1 2 ASN H H -6.903 1.900 4.199 1.00 . A A . 2 ASN H 1 1 10 1365 1 1 2 ASN HA H -6.646 4.703 3.221 1.00 . A A . 2 ASN HA 1 1 10 1366 1 1 2 ASN HB2 H -5.786 4.352 5.670 1.00 . A A . 2 ASN HB2 1 1 10 1367 1 1 2 ASN HB3 H -4.419 3.533 4.894 1.00 . A A . 2 ASN HB3 1 1 10 1368 1 1 2 ASN HD21 H -3.580 5.580 6.256 1.00 . A A . 2 ASN HD21 1 1 10 1369 1 1 2 ASN HD22 H -3.305 7.008 5.254 1.00 . A A . 2 ASN HD22 1 1 10 1370 1 1 2 ASN N N -7.134 2.891 4.141 1.00 . A A . 2 ASN N 1 1 10 1371 1 1 2 ASN ND2 N -3.757 6.105 5.401 1.00 . A A . 2 ASN ND2 1 1 10 1372 1 1 2 ASN O O -5.028 1.990 2.539 1.00 . A A . 2 ASN O 1 1 10 1373 1 1 2 ASN OD1 O -4.812 6.230 3.422 1.00 . A A . 2 ASN OD1 1 1 10 1374 1 1 3 HIS C C -2.742 3.988 0.463 1.00 . A A . 3 HIS C 1 1 10 1375 1 1 3 HIS CA C -4.187 3.505 0.375 1.00 . A A . 3 HIS CA 1 1 10 1376 1 1 3 HIS CB C -4.815 3.969 -0.940 1.00 . A A . 3 HIS CB 1 1 10 1377 1 1 3 HIS CD2 C -5.075 1.946 -2.547 1.00 . A A . 3 HIS CD2 1 1 10 1378 1 1 3 HIS CE1 C -3.401 2.406 -3.881 1.00 . A A . 3 HIS CE1 1 1 10 1379 1 1 3 HIS CG C -4.477 3.090 -2.112 1.00 . A A . 3 HIS CG 1 1 10 1380 1 1 3 HIS H H -5.243 4.972 1.537 1.00 . A A . 3 HIS H 1 1 10 1381 1 1 3 HIS HA H -4.182 2.411 0.379 1.00 . A A . 3 HIS HA 1 1 10 1382 1 1 3 HIS HB2 H -5.897 3.979 -0.818 1.00 . A A . 3 HIS HB2 1 1 10 1383 1 1 3 HIS HB3 H -4.480 4.986 -1.155 1.00 . A A . 3 HIS HB3 1 1 10 1384 1 1 3 HIS HD1 H -2.782 4.156 -2.906 1.00 . A A . 3 HIS HD1 1 1 10 1385 1 1 3 HIS HD2 H -6.041 1.581 -2.232 1.00 . A A . 3 HIS HD2 1 1 10 1386 1 1 3 HIS HE1 H -2.686 2.347 -4.688 1.00 . A A . 3 HIS HE1 1 1 10 1387 1 1 3 HIS N N -4.967 3.990 1.508 1.00 . A A . 3 HIS N 1 1 10 1388 1 1 3 HIS ND1 N -3.423 3.365 -2.968 1.00 . A A . 3 HIS ND1 1 1 10 1389 1 1 3 HIS NE2 N -4.382 1.525 -3.667 1.00 . A A . 3 HIS NE2 1 1 10 1390 1 1 3 HIS O O -2.143 4.368 -0.543 1.00 . A A . 3 HIS O 1 1 10 1391 1 1 4 TRP C C 0.170 3.455 1.224 1.00 . A A . 4 TRP C 1 1 10 1392 1 1 4 TRP CA C -0.817 4.408 1.890 1.00 . A A . 4 TRP CA 1 1 10 1393 1 1 4 TRP CB C -0.522 4.502 3.388 1.00 . A A . 4 TRP CB 1 1 10 1394 1 1 4 TRP CD1 C -0.572 6.532 4.953 1.00 . A A . 4 TRP CD1 1 1 10 1395 1 1 4 TRP CD2 C 0.750 6.781 3.163 1.00 . A A . 4 TRP CD2 1 1 10 1396 1 1 4 TRP CE2 C 0.812 7.958 3.935 1.00 . A A . 4 TRP CE2 1 1 10 1397 1 1 4 TRP CE3 C 1.503 6.708 1.988 1.00 . A A . 4 TRP CE3 1 1 10 1398 1 1 4 TRP CG C -0.140 5.882 3.832 1.00 . A A . 4 TRP CG 1 1 10 1399 1 1 4 TRP CH2 C 2.321 8.949 2.412 1.00 . A A . 4 TRP CH2 1 1 10 1400 1 1 4 TRP CZ2 C 1.595 9.049 3.568 1.00 . A A . 4 TRP CZ2 1 1 10 1401 1 1 4 TRP CZ3 C 2.279 7.791 1.624 1.00 . A A . 4 TRP CZ3 1 1 10 1402 1 1 4 TRP H H -2.740 3.639 2.465 1.00 . A A . 4 TRP H 1 1 10 1403 1 1 4 TRP HA H -0.717 5.393 1.438 1.00 . A A . 4 TRP HA 1 1 10 1404 1 1 4 TRP HB2 H -1.420 4.214 3.934 1.00 . A A . 4 TRP HB2 1 1 10 1405 1 1 4 TRP HB3 H 0.282 3.811 3.662 1.00 . A A . 4 TRP HB3 1 1 10 1406 1 1 4 TRP HD1 H -1.260 6.124 5.679 1.00 . A A . 4 TRP HD1 1 1 10 1407 1 1 4 TRP HE1 H -0.155 8.472 5.754 1.00 . A A . 4 TRP HE1 1 1 10 1408 1 1 4 TRP HE3 H 1.492 5.818 1.379 1.00 . A A . 4 TRP HE3 1 1 10 1409 1 1 4 TRP HH2 H 2.936 9.781 2.103 1.00 . A A . 4 TRP HH2 1 1 10 1410 1 1 4 TRP HZ2 H 1.627 9.944 4.171 1.00 . A A . 4 TRP HZ2 1 1 10 1411 1 1 4 TRP HZ3 H 2.862 7.739 0.716 1.00 . A A . 4 TRP HZ3 1 1 10 1412 1 1 4 TRP N N -2.191 3.971 1.671 1.00 . A A . 4 TRP N 1 1 10 1413 1 1 4 TRP NE1 N -0.003 7.780 5.020 1.00 . A A . 4 TRP NE1 1 1 10 1414 1 1 4 TRP O O 0.842 3.817 0.259 1.00 . A A . 4 TRP O 1 1 10 1415 1 1 5 ALA C C 0.451 -0.112 1.040 1.00 . A A . 5 ALA C 1 1 10 1416 1 1 5 ALA CA C 1.156 1.231 1.201 1.00 . A A . 5 ALA CA 1 1 10 1417 1 1 5 ALA CB C 2.381 1.083 2.092 1.00 . A A . 5 ALA CB 1 1 10 1418 1 1 5 ALA H H -0.329 1.998 2.549 1.00 . A A . 5 ALA H 1 1 10 1419 1 1 5 ALA HA H 1.497 1.547 0.211 1.00 . A A . 5 ALA HA 1 1 10 1420 1 1 5 ALA HB1 H 2.837 2.060 2.249 1.00 . A A . 5 ALA HB1 1 1 10 1421 1 1 5 ALA HB2 H 3.102 0.416 1.618 1.00 . A A . 5 ALA HB2 1 1 10 1422 1 1 5 ALA HB3 H 2.077 0.666 3.052 1.00 . A A . 5 ALA HB3 1 1 10 1423 1 1 5 ALA N N 0.253 2.236 1.747 1.00 . A A . 5 ALA N 1 1 10 1424 1 1 5 ALA O O 0.147 -0.786 2.024 1.00 . A A . 5 ALA O 1 1 10 1425 1 1 6 VAL C C -0.012 -2.331 -1.830 1.00 . A A . 6 VAL C 1 1 10 1426 1 1 6 VAL CA C -0.476 -1.758 -0.498 1.00 . A A . 6 VAL CA 1 1 10 1427 1 1 6 VAL CB C -2.005 -1.587 -0.527 1.00 . A A . 6 VAL CB 1 1 10 1428 1 1 6 VAL CG1 C -2.423 -0.719 -1.705 1.00 . A A . 6 VAL CG1 1 1 10 1429 1 1 6 VAL CG2 C -2.691 -2.943 -0.585 1.00 . A A . 6 VAL CG2 1 1 10 1430 1 1 6 VAL H H 0.476 0.109 -0.981 1.00 . A A . 6 VAL H 1 1 10 1431 1 1 6 VAL HA H -0.227 -2.480 0.284 1.00 . A A . 6 VAL HA 1 1 10 1432 1 1 6 VAL HB H -2.310 -1.084 0.392 1.00 . A A . 6 VAL HB 1 1 10 1433 1 1 6 VAL HG11 H -2.321 -1.295 -2.625 1.00 . A A . 6 VAL HG11 1 1 10 1434 1 1 6 VAL HG12 H -1.785 0.163 -1.755 1.00 . A A . 6 VAL HG12 1 1 10 1435 1 1 6 VAL HG13 H -3.461 -0.411 -1.585 1.00 . A A . 6 VAL HG13 1 1 10 1436 1 1 6 VAL HG21 H -3.769 -2.811 -0.501 1.00 . A A . 6 VAL HG21 1 1 10 1437 1 1 6 VAL HG22 H -2.336 -3.570 0.232 1.00 . A A . 6 VAL HG22 1 1 10 1438 1 1 6 VAL HG23 H -2.457 -3.420 -1.537 1.00 . A A . 6 VAL HG23 1 1 10 1439 1 1 6 VAL N N 0.195 -0.494 -0.207 1.00 . A A . 6 VAL N 1 1 10 1440 1 1 6 VAL O O 0.157 -1.602 -2.807 1.00 . A A . 6 VAL O 1 1 10 1441 1 1 7 GLY C C 2.052 -4.821 -2.979 1.00 . A A . 7 GLY C 1 1 10 1442 1 1 7 GLY CA C 0.635 -4.295 -3.083 1.00 . A A . 7 GLY CA 1 1 10 1443 1 1 7 GLY H H 0.037 -4.199 -1.024 1.00 . A A . 7 GLY H 1 1 10 1444 1 1 7 GLY HA2 H -0.027 -5.140 -3.276 1.00 . A A . 7 GLY HA2 1 1 10 1445 1 1 7 GLY HA3 H 0.577 -3.608 -3.931 1.00 . A A . 7 GLY HA3 1 1 10 1446 1 1 7 GLY N N 0.193 -3.644 -1.865 1.00 . A A . 7 GLY N 1 1 10 1447 1 1 7 GLY O O 2.740 -4.981 -3.988 1.00 . A A . 7 GLY O 1 1 10 1448 1 1 8 HIS C C 3.810 -7.102 -1.239 1.00 . A A . 8 HIS C 1 1 10 1449 1 1 8 HIS CA C 3.839 -5.603 -1.521 1.00 . A A . 8 HIS CA 1 1 10 1450 1 1 8 HIS CB C 4.494 -4.865 -0.353 1.00 . A A . 8 HIS CB 1 1 10 1451 1 1 8 HIS CD2 C 6.096 -3.155 -1.474 1.00 . A A . 8 HIS CD2 1 1 10 1452 1 1 8 HIS CE1 C 5.118 -1.326 -0.775 1.00 . A A . 8 HIS CE1 1 1 10 1453 1 1 8 HIS CG C 5.018 -3.503 -0.716 1.00 . A A . 8 HIS CG 1 1 10 1454 1 1 8 HIS H H 1.875 -4.942 -0.957 1.00 . A A . 8 HIS H 1 1 10 1455 1 1 8 HIS HA H 4.454 -5.435 -2.409 1.00 . A A . 8 HIS HA 1 1 10 1456 1 1 8 HIS HB2 H 3.752 -4.743 0.434 1.00 . A A . 8 HIS HB2 1 1 10 1457 1 1 8 HIS HB3 H 5.326 -5.456 0.037 1.00 . A A . 8 HIS HB3 1 1 10 1458 1 1 8 HIS HD1 H 3.581 -2.261 0.303 1.00 . A A . 8 HIS HD1 1 1 10 1459 1 1 8 HIS HD2 H 6.650 -3.816 -2.124 1.00 . A A . 8 HIS HD2 1 1 10 1460 1 1 8 HIS HE1 H 4.891 -0.283 -0.609 1.00 . A A . 8 HIS HE1 1 1 10 1461 1 1 8 HIS N N 2.493 -5.092 -1.754 1.00 . A A . 8 HIS N 1 1 10 1462 1 1 8 HIS ND1 N 4.413 -2.334 -0.283 1.00 . A A . 8 HIS ND1 1 1 10 1463 1 1 8 HIS NE2 N 6.146 -1.774 -1.501 1.00 . A A . 8 HIS NE2 1 1 10 1464 1 1 8 HIS O O 4.511 -7.591 -0.351 1.00 . A A . 8 HIS O 1 1 10 1465 1 1 9 LEU C C 3.272 -10.003 -3.106 1.00 . A A . 9 LEU C 1 1 10 1466 1 1 9 LEU CA C 2.873 -9.270 -1.829 1.00 . A A . 9 LEU CA 1 1 10 1467 1 1 9 LEU CB C 1.440 -9.640 -1.443 1.00 . A A . 9 LEU CB 1 1 10 1468 1 1 9 LEU CD1 C 1.645 -10.616 0.857 1.00 . A A . 9 LEU CD1 1 1 10 1469 1 1 9 LEU CD2 C -0.146 -11.429 -0.687 1.00 . A A . 9 LEU CD2 1 1 10 1470 1 1 9 LEU CG C 1.278 -10.899 -0.591 1.00 . A A . 9 LEU CG 1 1 10 1471 1 1 9 LEU H H 2.442 -7.363 -2.718 1.00 . A A . 9 LEU H 1 1 10 1472 1 1 9 LEU HA H 3.535 -9.605 -1.032 1.00 . A A . 9 LEU HA 1 1 10 1473 1 1 9 LEU HB2 H 1.020 -8.801 -0.890 1.00 . A A . 9 LEU HB2 1 1 10 1474 1 1 9 LEU HB3 H 0.858 -9.761 -2.362 1.00 . A A . 9 LEU HB3 1 1 10 1475 1 1 9 LEU HD11 H 2.713 -10.433 0.953 1.00 . A A . 9 LEU HD11 1 1 10 1476 1 1 9 LEU HD12 H 1.374 -11.479 1.467 1.00 . A A . 9 LEU HD12 1 1 10 1477 1 1 9 LEU HD13 H 1.093 -9.744 1.208 1.00 . A A . 9 LEU HD13 1 1 10 1478 1 1 9 LEU HD21 H -0.837 -10.656 -0.352 1.00 . A A . 9 LEU HD21 1 1 10 1479 1 1 9 LEU HD22 H -0.251 -12.310 -0.052 1.00 . A A . 9 LEU HD22 1 1 10 1480 1 1 9 LEU HD23 H -0.373 -11.697 -1.719 1.00 . A A . 9 LEU HD23 1 1 10 1481 1 1 9 LEU HG H 1.959 -11.656 -0.978 1.00 . A A . 9 LEU HG 1 1 10 1482 1 1 9 LEU N N 2.994 -7.826 -1.997 1.00 . A A . 9 LEU N 1 1 10 1483 1 1 9 LEU O O 2.780 -9.693 -4.190 1.00 . A A . 9 LEU O 1 1 10 1484 1 1 10 MET C C 4.258 -13.227 -3.950 1.00 . A A . 10 MET C 1 1 10 1485 1 1 10 MET CA C 4.629 -11.756 -4.109 1.00 . A A . 10 MET CA 1 1 10 1486 1 1 10 MET CB C 6.144 -11.615 -4.270 1.00 . A A . 10 MET CB 1 1 10 1487 1 1 10 MET CE C 8.457 -13.613 -6.704 1.00 . A A . 10 MET CE 1 1 10 1488 1 1 10 MET CG C 6.623 -11.793 -5.702 1.00 . A A . 10 MET CG 1 1 10 1489 1 1 10 MET H H 4.533 -11.189 -2.040 1.00 . A A . 10 MET H 1 1 10 1490 1 1 10 MET HA H 4.147 -11.389 -5.016 1.00 . A A . 10 MET HA 1 1 10 1491 1 1 10 MET HB2 H 6.424 -10.618 -3.930 1.00 . A A . 10 MET HB2 1 1 10 1492 1 1 10 MET HB3 H 6.651 -12.347 -3.637 1.00 . A A . 10 MET HB3 1 1 10 1493 1 1 10 MET HE1 H 9.105 -13.391 -5.856 1.00 . A A . 10 MET HE1 1 1 10 1494 1 1 10 MET HE2 H 8.678 -14.613 -7.078 1.00 . A A . 10 MET HE2 1 1 10 1495 1 1 10 MET HE3 H 8.630 -12.882 -7.495 1.00 . A A . 10 MET HE3 1 1 10 1496 1 1 10 MET HG2 H 5.938 -11.287 -6.380 1.00 . A A . 10 MET HG2 1 1 10 1497 1 1 10 MET HG3 H 7.609 -11.334 -5.803 1.00 . A A . 10 MET HG3 1 1 10 1498 1 1 10 MET N N 4.167 -10.977 -2.967 1.00 . A A . 10 MET N 1 1 10 1499 1 1 10 MET O O 5.137 -14.066 -4.049 1.00 . A A . 10 MET O 1 1 10 1500 1 1 10 MET SD S 6.745 -13.525 -6.184 1.00 . A A . 10 MET SD 1 1 11 1501 1 1 1 GLY C C -8.546 5.251 -0.001 1.00 . A A . 1 GLY C 1 1 11 1502 1 1 1 GLY CA C -10.011 4.949 0.239 1.00 . A A . 1 GLY CA 1 1 11 1503 1 1 1 GLY H1 H -10.262 5.418 -1.738 1.00 . A A . 1 GLY H1 1 1 11 1504 1 1 1 GLY H2 H -11.703 5.371 -0.837 1.00 . A A . 1 GLY H2 1 1 11 1505 1 1 1 GLY H3 H -10.926 3.927 -1.282 1.00 . A A . 1 GLY H3 1 1 11 1506 1 1 1 GLY HA2 H -10.426 5.718 0.891 1.00 . A A . 1 GLY HA2 1 1 11 1507 1 1 1 GLY HA3 H -10.095 3.982 0.735 1.00 . A A . 1 GLY HA3 1 1 11 1508 1 1 1 GLY N N -10.780 4.914 -0.991 1.00 . A A . 1 GLY N 1 1 11 1509 1 1 1 GLY O O -8.057 5.138 -1.124 1.00 . A A . 1 GLY O 1 1 11 1510 1 1 2 ASN C C -5.565 4.723 1.222 1.00 . A A . 2 ASN C 1 1 11 1511 1 1 2 ASN CA C -6.422 5.957 0.957 1.00 . A A . 2 ASN CA 1 1 11 1512 1 1 2 ASN CB C -6.057 7.068 1.944 1.00 . A A . 2 ASN CB 1 1 11 1513 1 1 2 ASN CG C -4.806 7.820 1.532 1.00 . A A . 2 ASN CG 1 1 11 1514 1 1 2 ASN H H -8.303 5.713 1.964 1.00 . A A . 2 ASN H 1 1 11 1515 1 1 2 ASN HA H -6.209 6.315 -0.054 1.00 . A A . 2 ASN HA 1 1 11 1516 1 1 2 ASN HB2 H -6.885 7.775 1.989 1.00 . A A . 2 ASN HB2 1 1 11 1517 1 1 2 ASN HB3 H -5.909 6.635 2.936 1.00 . A A . 2 ASN HB3 1 1 11 1518 1 1 2 ASN HD21 H -4.117 7.805 3.458 1.00 . A A . 2 ASN HD21 1 1 11 1519 1 1 2 ASN HD22 H -3.076 8.590 2.267 1.00 . A A . 2 ASN HD22 1 1 11 1520 1 1 2 ASN N N -7.841 5.637 1.058 1.00 . A A . 2 ASN N 1 1 11 1521 1 1 2 ASN ND2 N -3.934 8.090 2.496 1.00 . A A . 2 ASN ND2 1 1 11 1522 1 1 2 ASN O O -5.509 4.224 2.346 1.00 . A A . 2 ASN O 1 1 11 1523 1 1 2 ASN OD1 O -4.627 8.154 0.361 1.00 . A A . 2 ASN OD1 1 1 11 1524 1 1 3 HIS C C -2.571 3.465 0.350 1.00 . A A . 3 HIS C 1 1 11 1525 1 1 3 HIS CA C -4.042 3.063 0.301 1.00 . A A . 3 HIS CA 1 1 11 1526 1 1 3 HIS CB C -4.284 2.108 -0.870 1.00 . A A . 3 HIS CB 1 1 11 1527 1 1 3 HIS CD2 C -6.470 0.994 -1.722 1.00 . A A . 3 HIS CD2 1 1 11 1528 1 1 3 HIS CE1 C -7.191 0.239 0.202 1.00 . A A . 3 HIS CE1 1 1 11 1529 1 1 3 HIS CG C -5.573 1.343 -0.757 1.00 . A A . 3 HIS CG 1 1 11 1530 1 1 3 HIS H H -4.982 4.698 -0.726 1.00 . A A . 3 HIS H 1 1 11 1531 1 1 3 HIS HA H -4.282 2.527 1.224 1.00 . A A . 3 HIS HA 1 1 11 1532 1 1 3 HIS HB2 H -4.309 2.692 -1.788 1.00 . A A . 3 HIS HB2 1 1 11 1533 1 1 3 HIS HB3 H -3.461 1.399 -0.928 1.00 . A A . 3 HIS HB3 1 1 11 1534 1 1 3 HIS HD1 H -5.597 0.956 1.362 1.00 . A A . 3 HIS HD1 1 1 11 1535 1 1 3 HIS HD2 H -6.507 1.397 -2.723 1.00 . A A . 3 HIS HD2 1 1 11 1536 1 1 3 HIS HE1 H -7.799 -0.245 0.951 1.00 . A A . 3 HIS HE1 1 1 11 1537 1 1 3 HIS N N -4.897 4.238 0.180 1.00 . A A . 3 HIS N 1 1 11 1538 1 1 3 HIS ND1 N -6.045 0.857 0.451 1.00 . A A . 3 HIS ND1 1 1 11 1539 1 1 3 HIS NE2 N -7.488 0.296 -1.099 1.00 . A A . 3 HIS NE2 1 1 11 1540 1 1 3 HIS O O -1.855 3.358 -0.646 1.00 . A A . 3 HIS O 1 1 11 1541 1 1 4 TRP C C 0.220 3.252 1.242 1.00 . A A . 4 TRP C 1 1 11 1542 1 1 4 TRP CA C -0.742 4.347 1.690 1.00 . A A . 4 TRP CA 1 1 11 1543 1 1 4 TRP CB C -0.479 4.705 3.154 1.00 . A A . 4 TRP CB 1 1 11 1544 1 1 4 TRP CD1 C -1.387 6.785 4.345 1.00 . A A . 4 TRP CD1 1 1 11 1545 1 1 4 TRP CD2 C 0.166 7.218 2.791 1.00 . A A . 4 TRP CD2 1 1 11 1546 1 1 4 TRP CE2 C -0.247 8.437 3.366 1.00 . A A . 4 TRP CE2 1 1 11 1547 1 1 4 TRP CE3 C 1.138 7.243 1.788 1.00 . A A . 4 TRP CE3 1 1 11 1548 1 1 4 TRP CG C -0.575 6.175 3.432 1.00 . A A . 4 TRP CG 1 1 11 1549 1 1 4 TRP CH2 C 1.230 9.657 1.985 1.00 . A A . 4 TRP CH2 1 1 11 1550 1 1 4 TRP CZ2 C 0.280 9.662 2.969 1.00 . A A . 4 TRP CZ2 1 1 11 1551 1 1 4 TRP CZ3 C 1.661 8.460 1.395 1.00 . A A . 4 TRP CZ3 1 1 11 1552 1 1 4 TRP H H -2.771 3.990 2.302 1.00 . A A . 4 TRP H 1 1 11 1553 1 1 4 TRP HA H -0.571 5.227 1.071 1.00 . A A . 4 TRP HA 1 1 11 1554 1 1 4 TRP HB2 H -1.220 4.198 3.768 1.00 . A A . 4 TRP HB2 1 1 11 1555 1 1 4 TRP HB3 H 0.516 4.361 3.453 1.00 . A A . 4 TRP HB3 1 1 11 1556 1 1 4 TRP HD1 H -2.077 6.273 4.999 1.00 . A A . 4 TRP HD1 1 1 11 1557 1 1 4 TRP HE1 H -1.674 8.836 4.890 1.00 . A A . 4 TRP HE1 1 1 11 1558 1 1 4 TRP HE3 H 1.479 6.326 1.333 1.00 . A A . 4 TRP HE3 1 1 11 1559 1 1 4 TRP HH2 H 1.655 10.594 1.658 1.00 . A A . 4 TRP HH2 1 1 11 1560 1 1 4 TRP HZ2 H -0.050 10.587 3.421 1.00 . A A . 4 TRP HZ2 1 1 11 1561 1 1 4 TRP HZ3 H 2.413 8.485 0.620 1.00 . A A . 4 TRP HZ3 1 1 11 1562 1 1 4 TRP N N -2.128 3.928 1.513 1.00 . A A . 4 TRP N 1 1 11 1563 1 1 4 TRP NE1 N -1.195 8.145 4.311 1.00 . A A . 4 TRP NE1 1 1 11 1564 1 1 4 TRP O O 0.844 3.356 0.187 1.00 . A A . 4 TRP O 1 1 11 1565 1 1 5 ALA C C 0.424 -0.196 1.513 1.00 . A A . 5 ALA C 1 1 11 1566 1 1 5 ALA CA C 1.217 1.088 1.735 1.00 . A A . 5 ALA CA 1 1 11 1567 1 1 5 ALA CB C 2.239 0.894 2.845 1.00 . A A . 5 ALA CB 1 1 11 1568 1 1 5 ALA H H -0.209 2.177 2.914 1.00 . A A . 5 ALA H 1 1 11 1569 1 1 5 ALA HA H 1.763 1.303 0.811 1.00 . A A . 5 ALA HA 1 1 11 1570 1 1 5 ALA HB1 H 3.122 0.384 2.461 1.00 . A A . 5 ALA HB1 1 1 11 1571 1 1 5 ALA HB2 H 1.800 0.304 3.652 1.00 . A A . 5 ALA HB2 1 1 11 1572 1 1 5 ALA HB3 H 2.530 1.870 3.233 1.00 . A A . 5 ALA HB3 1 1 11 1573 1 1 5 ALA N N 0.333 2.202 2.050 1.00 . A A . 5 ALA N 1 1 11 1574 1 1 5 ALA O O 0.117 -0.920 2.460 1.00 . A A . 5 ALA O 1 1 11 1575 1 1 6 VAL C C -0.257 -2.199 -1.461 1.00 . A A . 6 VAL C 1 1 11 1576 1 1 6 VAL CA C -0.664 -1.670 -0.092 1.00 . A A . 6 VAL CA 1 1 11 1577 1 1 6 VAL CB C -2.178 -1.395 -0.086 1.00 . A A . 6 VAL CB 1 1 11 1578 1 1 6 VAL CG1 C -2.951 -2.658 -0.433 1.00 . A A . 6 VAL CG1 1 1 11 1579 1 1 6 VAL CG2 C -2.617 -0.845 1.261 1.00 . A A . 6 VAL CG2 1 1 11 1580 1 1 6 VAL H H 0.381 0.164 -0.488 1.00 . A A . 6 VAL H 1 1 11 1581 1 1 6 VAL HA H -0.463 -2.449 0.647 1.00 . A A . 6 VAL HA 1 1 11 1582 1 1 6 VAL HB H -2.386 -0.653 -0.853 1.00 . A A . 6 VAL HB 1 1 11 1583 1 1 6 VAL HG11 H -2.607 -3.470 0.207 1.00 . A A . 6 VAL HG11 1 1 11 1584 1 1 6 VAL HG12 H -2.784 -2.921 -1.477 1.00 . A A . 6 VAL HG12 1 1 11 1585 1 1 6 VAL HG13 H -4.016 -2.494 -0.269 1.00 . A A . 6 VAL HG13 1 1 11 1586 1 1 6 VAL HG21 H -3.704 -0.775 1.294 1.00 . A A . 6 VAL HG21 1 1 11 1587 1 1 6 VAL HG22 H -2.187 0.145 1.411 1.00 . A A . 6 VAL HG22 1 1 11 1588 1 1 6 VAL HG23 H -2.271 -1.515 2.048 1.00 . A A . 6 VAL HG23 1 1 11 1589 1 1 6 VAL N N 0.094 -0.473 0.255 1.00 . A A . 6 VAL N 1 1 11 1590 1 1 6 VAL O O -0.241 -1.460 -2.445 1.00 . A A . 6 VAL O 1 1 11 1591 1 1 7 GLY C C 1.955 -4.402 -2.821 1.00 . A A . 7 GLY C 1 1 11 1592 1 1 7 GLY CA C 0.472 -4.094 -2.774 1.00 . A A . 7 GLY CA 1 1 11 1593 1 1 7 GLY H H 0.035 -4.053 -0.672 1.00 . A A . 7 GLY H 1 1 11 1594 1 1 7 GLY HA2 H -0.073 -5.031 -2.888 1.00 . A A . 7 GLY HA2 1 1 11 1595 1 1 7 GLY HA3 H 0.220 -3.441 -3.614 1.00 . A A . 7 GLY HA3 1 1 11 1596 1 1 7 GLY N N 0.070 -3.486 -1.520 1.00 . A A . 7 GLY N 1 1 11 1597 1 1 7 GLY O O 2.658 -3.971 -3.735 1.00 . A A . 7 GLY O 1 1 11 1598 1 1 8 HIS C C 4.090 -6.867 -2.424 1.00 . A A . 8 HIS C 1 1 11 1599 1 1 8 HIS CA C 3.846 -5.514 -1.763 1.00 . A A . 8 HIS CA 1 1 11 1600 1 1 8 HIS CB C 4.316 -5.551 -0.308 1.00 . A A . 8 HIS CB 1 1 11 1601 1 1 8 HIS CD2 C 5.280 -3.241 0.382 1.00 . A A . 8 HIS CD2 1 1 11 1602 1 1 8 HIS CE1 C 3.563 -2.535 1.544 1.00 . A A . 8 HIS CE1 1 1 11 1603 1 1 8 HIS CG C 4.316 -4.204 0.360 1.00 . A A . 8 HIS CG 1 1 11 1604 1 1 8 HIS H H 1.801 -5.479 -1.104 1.00 . A A . 8 HIS H 1 1 11 1605 1 1 8 HIS HA H 4.439 -4.760 -2.286 1.00 . A A . 8 HIS HA 1 1 11 1606 1 1 8 HIS HB2 H 3.649 -6.208 0.249 1.00 . A A . 8 HIS HB2 1 1 11 1607 1 1 8 HIS HB3 H 5.326 -5.964 -0.274 1.00 . A A . 8 HIS HB3 1 1 11 1608 1 1 8 HIS HD1 H 2.363 -4.233 1.268 1.00 . A A . 8 HIS HD1 1 1 11 1609 1 1 8 HIS HD2 H 6.311 -3.374 0.091 1.00 . A A . 8 HIS HD2 1 1 11 1610 1 1 8 HIS HE1 H 2.924 -1.925 2.161 1.00 . A A . 8 HIS HE1 1 1 11 1611 1 1 8 HIS N N 2.435 -5.149 -1.832 1.00 . A A . 8 HIS N 1 1 11 1612 1 1 8 HIS ND1 N 3.240 -3.740 1.098 1.00 . A A . 8 HIS ND1 1 1 11 1613 1 1 8 HIS NE2 N 4.787 -2.190 1.137 1.00 . A A . 8 HIS NE2 1 1 11 1614 1 1 8 HIS O O 4.732 -7.745 -1.846 1.00 . A A . 8 HIS O 1 1 11 1615 1 1 9 LEU C C 4.813 -8.135 -5.451 1.00 . A A . 9 LEU C 1 1 11 1616 1 1 9 LEU CA C 3.737 -8.275 -4.378 1.00 . A A . 9 LEU CA 1 1 11 1617 1 1 9 LEU CB C 2.411 -8.685 -5.020 1.00 . A A . 9 LEU CB 1 1 11 1618 1 1 9 LEU CD1 C 0.712 -10.525 -5.149 1.00 . A A . 9 LEU CD1 1 1 11 1619 1 1 9 LEU CD2 C 2.794 -10.650 -6.530 1.00 . A A . 9 LEU CD2 1 1 11 1620 1 1 9 LEU CG C 2.194 -10.187 -5.210 1.00 . A A . 9 LEU CG 1 1 11 1621 1 1 9 LEU H H 3.056 -6.262 -4.066 1.00 . A A . 9 LEU H 1 1 11 1622 1 1 9 LEU HA H 4.043 -9.063 -3.689 1.00 . A A . 9 LEU HA 1 1 11 1623 1 1 9 LEU HB2 H 1.624 -8.306 -4.363 1.00 . A A . 9 LEU HB2 1 1 11 1624 1 1 9 LEU HB3 H 2.311 -8.176 -5.982 1.00 . A A . 9 LEU HB3 1 1 11 1625 1 1 9 LEU HD11 H 0.574 -11.596 -5.293 1.00 . A A . 9 LEU HD11 1 1 11 1626 1 1 9 LEU HD12 H 0.191 -9.982 -5.938 1.00 . A A . 9 LEU HD12 1 1 11 1627 1 1 9 LEU HD13 H 0.306 -10.236 -4.180 1.00 . A A . 9 LEU HD13 1 1 11 1628 1 1 9 LEU HD21 H 2.562 -9.938 -7.320 1.00 . A A . 9 LEU HD21 1 1 11 1629 1 1 9 LEU HD22 H 2.375 -11.622 -6.797 1.00 . A A . 9 LEU HD22 1 1 11 1630 1 1 9 LEU HD23 H 3.867 -10.752 -6.439 1.00 . A A . 9 LEU HD23 1 1 11 1631 1 1 9 LEU HG H 2.687 -10.720 -4.397 1.00 . A A . 9 LEU HG 1 1 11 1632 1 1 9 LEU N N 3.576 -7.028 -3.638 1.00 . A A . 9 LEU N 1 1 11 1633 1 1 9 LEU O O 5.043 -7.045 -5.975 1.00 . A A . 9 LEU O 1 1 11 1634 1 1 10 MET C C 5.953 -9.642 -8.150 1.00 . A A . 10 MET C 1 1 11 1635 1 1 10 MET CA C 6.515 -9.248 -6.787 1.00 . A A . 10 MET CA 1 1 11 1636 1 1 10 MET CB C 7.637 -10.208 -6.388 1.00 . A A . 10 MET CB 1 1 11 1637 1 1 10 MET CE C 7.379 -14.257 -5.414 1.00 . A A . 10 MET CE 1 1 11 1638 1 1 10 MET CG C 7.218 -11.669 -6.393 1.00 . A A . 10 MET CG 1 1 11 1639 1 1 10 MET H H 5.228 -10.119 -5.303 1.00 . A A . 10 MET H 1 1 11 1640 1 1 10 MET HA H 6.936 -8.243 -6.871 1.00 . A A . 10 MET HA 1 1 11 1641 1 1 10 MET HB2 H 8.471 -10.081 -7.078 1.00 . A A . 10 MET HB2 1 1 11 1642 1 1 10 MET HB3 H 7.971 -9.949 -5.383 1.00 . A A . 10 MET HB3 1 1 11 1643 1 1 10 MET HE1 H 6.331 -14.111 -5.152 1.00 . A A . 10 MET HE1 1 1 11 1644 1 1 10 MET HE2 H 7.448 -14.640 -6.432 1.00 . A A . 10 MET HE2 1 1 11 1645 1 1 10 MET HE3 H 7.831 -14.971 -4.726 1.00 . A A . 10 MET HE3 1 1 11 1646 1 1 10 MET HG2 H 6.185 -11.737 -6.053 1.00 . A A . 10 MET HG2 1 1 11 1647 1 1 10 MET HG3 H 7.284 -12.056 -7.411 1.00 . A A . 10 MET HG3 1 1 11 1648 1 1 10 MET N N 5.466 -9.246 -5.774 1.00 . A A . 10 MET N 1 1 11 1649 1 1 10 MET O O 4.850 -9.221 -8.457 1.00 . A A . 10 MET O 1 1 11 1650 1 1 10 MET SD S 8.239 -12.688 -5.311 1.00 . A A . 10 MET SD 1 1 12 1651 1 1 1 GLY C C -8.303 5.736 2.058 1.00 . A A . 1 GLY C 1 1 12 1652 1 1 1 GLY CA C -9.779 5.394 2.000 1.00 . A A . 1 GLY CA 1 1 12 1653 1 1 1 GLY H1 H -11.071 6.238 0.653 1.00 . A A . 1 GLY H1 1 1 12 1654 1 1 1 GLY H2 H -10.720 4.601 0.363 1.00 . A A . 1 GLY H2 1 1 12 1655 1 1 1 GLY H3 H -9.569 5.798 0.005 1.00 . A A . 1 GLY H3 1 1 12 1656 1 1 1 GLY HA2 H -10.323 6.064 2.665 1.00 . A A . 1 GLY HA2 1 1 12 1657 1 1 1 GLY HA3 H -9.915 4.369 2.343 1.00 . A A . 1 GLY HA3 1 1 12 1658 1 1 1 GLY N N -10.324 5.516 0.661 1.00 . A A . 1 GLY N 1 1 12 1659 1 1 1 GLY O O -7.914 6.877 1.814 1.00 . A A . 1 GLY O 1 1 12 1660 1 1 2 ASN C C -5.285 3.823 1.769 1.00 . A A . 2 ASN C 1 1 12 1661 1 1 2 ASN CA C -6.038 4.947 2.474 1.00 . A A . 2 ASN CA 1 1 12 1662 1 1 2 ASN CB C -5.605 5.026 3.939 1.00 . A A . 2 ASN CB 1 1 12 1663 1 1 2 ASN CG C -6.528 5.899 4.768 1.00 . A A . 2 ASN CG 1 1 12 1664 1 1 2 ASN H H -7.863 3.820 2.576 1.00 . A A . 2 ASN H 1 1 12 1665 1 1 2 ASN HA H -5.767 5.890 1.993 1.00 . A A . 2 ASN HA 1 1 12 1666 1 1 2 ASN HB2 H -5.616 4.021 4.362 1.00 . A A . 2 ASN HB2 1 1 12 1667 1 1 2 ASN HB3 H -4.591 5.423 3.992 1.00 . A A . 2 ASN HB3 1 1 12 1668 1 1 2 ASN HD21 H -5.106 7.366 4.874 1.00 . A A . 2 ASN HD21 1 1 12 1669 1 1 2 ASN HD22 H -6.636 7.709 5.687 1.00 . A A . 2 ASN HD22 1 1 12 1670 1 1 2 ASN N N -7.479 4.745 2.383 1.00 . A A . 2 ASN N 1 1 12 1671 1 1 2 ASN ND2 N -6.050 7.083 5.136 1.00 . A A . 2 ASN ND2 1 1 12 1672 1 1 2 ASN O O -5.353 2.664 2.180 1.00 . A A . 2 ASN O 1 1 12 1673 1 1 2 ASN OD1 O -7.657 5.514 5.074 1.00 . A A . 2 ASN OD1 1 1 12 1674 1 1 3 HIS C C -2.302 3.463 0.071 1.00 . A A . 3 HIS C 1 1 12 1675 1 1 3 HIS CA C -3.799 3.195 -0.053 1.00 . A A . 3 HIS CA 1 1 12 1676 1 1 3 HIS CB C -4.215 3.223 -1.524 1.00 . A A . 3 HIS CB 1 1 12 1677 1 1 3 HIS CD2 C -5.095 5.446 -2.538 1.00 . A A . 3 HIS CD2 1 1 12 1678 1 1 3 HIS CE1 C -3.155 6.365 -2.974 1.00 . A A . 3 HIS CE1 1 1 12 1679 1 1 3 HIS CG C -4.111 4.587 -2.151 1.00 . A A . 3 HIS CG 1 1 12 1680 1 1 3 HIS H H -4.550 5.152 0.418 1.00 . A A . 3 HIS H 1 1 12 1681 1 1 3 HIS HA H -3.992 2.192 0.337 1.00 . A A . 3 HIS HA 1 1 12 1682 1 1 3 HIS HB2 H -3.572 2.543 -2.081 1.00 . A A . 3 HIS HB2 1 1 12 1683 1 1 3 HIS HB3 H -5.246 2.874 -1.602 1.00 . A A . 3 HIS HB3 1 1 12 1684 1 1 3 HIS HD1 H -1.969 4.791 -2.261 1.00 . A A . 3 HIS HD1 1 1 12 1685 1 1 3 HIS HD2 H -6.137 5.377 -2.263 1.00 . A A . 3 HIS HD2 1 1 12 1686 1 1 3 HIS HE1 H -2.403 7.065 -3.304 1.00 . A A . 3 HIS HE1 1 1 12 1687 1 1 3 HIS N N -4.566 4.174 0.707 1.00 . A A . 3 HIS N 1 1 12 1688 1 1 3 HIS ND1 N -2.894 5.184 -2.434 1.00 . A A . 3 HIS ND1 1 1 12 1689 1 1 3 HIS NE2 N -4.472 6.568 -3.057 1.00 . A A . 3 HIS NE2 1 1 12 1690 1 1 3 HIS O O -1.544 3.259 -0.878 1.00 . A A . 3 HIS O 1 1 12 1691 1 1 4 TRP C C 0.402 3.020 1.141 1.00 . A A . 4 TRP C 1 1 12 1692 1 1 4 TRP CA C -0.476 4.216 1.493 1.00 . A A . 4 TRP CA 1 1 12 1693 1 1 4 TRP CB C -0.266 4.606 2.957 1.00 . A A . 4 TRP CB 1 1 12 1694 1 1 4 TRP CD1 C -1.025 6.814 4.013 1.00 . A A . 4 TRP CD1 1 1 12 1695 1 1 4 TRP CD2 C 0.658 7.024 2.550 1.00 . A A . 4 TRP CD2 1 1 12 1696 1 1 4 TRP CE2 C 0.339 8.300 3.054 1.00 . A A . 4 TRP CE2 1 1 12 1697 1 1 4 TRP CE3 C 1.688 6.908 1.613 1.00 . A A . 4 TRP CE3 1 1 12 1698 1 1 4 TRP CG C -0.226 6.088 3.177 1.00 . A A . 4 TRP CG 1 1 12 1699 1 1 4 TRP CH2 C 2.018 9.306 1.732 1.00 . A A . 4 TRP CH2 1 1 12 1700 1 1 4 TRP CZ2 C 1.014 9.449 2.650 1.00 . A A . 4 TRP CZ2 1 1 12 1701 1 1 4 TRP CZ3 C 2.357 8.050 1.214 1.00 . A A . 4 TRP CZ3 1 1 12 1702 1 1 4 TRP H H -2.561 4.065 1.993 1.00 . A A . 4 TRP H 1 1 12 1703 1 1 4 TRP HA H -0.186 5.052 0.857 1.00 . A A . 4 TRP HA 1 1 12 1704 1 1 4 TRP HB2 H -1.091 4.201 3.540 1.00 . A A . 4 TRP HB2 1 1 12 1705 1 1 4 TRP HB3 H 0.669 4.177 3.331 1.00 . A A . 4 TRP HB3 1 1 12 1706 1 1 4 TRP HD1 H -1.805 6.402 4.637 1.00 . A A . 4 TRP HD1 1 1 12 1707 1 1 4 TRP HE1 H -1.129 8.904 4.466 1.00 . A A . 4 TRP HE1 1 1 12 1708 1 1 4 TRP HE3 H 1.957 5.942 1.212 1.00 . A A . 4 TRP HE3 1 1 12 1709 1 1 4 TRP HH2 H 2.559 10.181 1.402 1.00 . A A . 4 TRP HH2 1 1 12 1710 1 1 4 TRP HZ2 H 0.755 10.420 3.047 1.00 . A A . 4 TRP HZ2 1 1 12 1711 1 1 4 TRP HZ3 H 3.154 7.966 0.489 1.00 . A A . 4 TRP HZ3 1 1 12 1712 1 1 4 TRP N N -1.883 3.920 1.245 1.00 . A A . 4 TRP N 1 1 12 1713 1 1 4 TRP NE1 N -0.691 8.145 3.944 1.00 . A A . 4 TRP NE1 1 1 12 1714 1 1 4 TRP O O 1.103 3.031 0.130 1.00 . A A . 4 TRP O 1 1 12 1715 1 1 5 ALA C C 0.250 -0.422 1.522 1.00 . A A . 5 ALA C 1 1 12 1716 1 1 5 ALA CA C 1.148 0.788 1.756 1.00 . A A . 5 ALA CA 1 1 12 1717 1 1 5 ALA CB C 2.077 0.538 2.936 1.00 . A A . 5 ALA CB 1 1 12 1718 1 1 5 ALA H H -0.242 2.045 2.805 1.00 . A A . 5 ALA H 1 1 12 1719 1 1 5 ALA HA H 1.771 0.916 0.867 1.00 . A A . 5 ALA HA 1 1 12 1720 1 1 5 ALA HB1 H 2.572 -0.425 2.816 1.00 . A A . 5 ALA HB1 1 1 12 1721 1 1 5 ALA HB2 H 1.492 0.535 3.856 1.00 . A A . 5 ALA HB2 1 1 12 1722 1 1 5 ALA HB3 H 2.827 1.328 2.984 1.00 . A A . 5 ALA HB3 1 1 12 1723 1 1 5 ALA N N 0.358 1.991 1.981 1.00 . A A . 5 ALA N 1 1 12 1724 1 1 5 ALA O O -0.196 -1.070 2.469 1.00 . A A . 5 ALA O 1 1 12 1725 1 1 6 VAL C C -0.393 -2.495 -1.409 1.00 . A A . 6 VAL C 1 1 12 1726 1 1 6 VAL CA C -0.858 -1.856 -0.107 1.00 . A A . 6 VAL CA 1 1 12 1727 1 1 6 VAL CB C -2.330 -1.433 -0.248 1.00 . A A . 6 VAL CB 1 1 12 1728 1 1 6 VAL CG1 C -3.191 -2.625 -0.642 1.00 . A A . 6 VAL CG1 1 1 12 1729 1 1 6 VAL CG2 C -2.833 -0.807 1.044 1.00 . A A . 6 VAL CG2 1 1 12 1730 1 1 6 VAL H H 0.391 -0.149 -0.489 1.00 . A A . 6 VAL H 1 1 12 1731 1 1 6 VAL HA H -0.800 -2.609 0.681 1.00 . A A . 6 VAL HA 1 1 12 1732 1 1 6 VAL HB H -2.395 -0.688 -1.042 1.00 . A A . 6 VAL HB 1 1 12 1733 1 1 6 VAL HG11 H -4.245 -2.363 -0.557 1.00 . A A . 6 VAL HG11 1 1 12 1734 1 1 6 VAL HG12 H -2.969 -3.458 0.025 1.00 . A A . 6 VAL HG12 1 1 12 1735 1 1 6 VAL HG13 H -2.974 -2.916 -1.670 1.00 . A A . 6 VAL HG13 1 1 12 1736 1 1 6 VAL HG21 H -3.902 -0.612 0.968 1.00 . A A . 6 VAL HG21 1 1 12 1737 1 1 6 VAL HG22 H -2.309 0.131 1.227 1.00 . A A . 6 VAL HG22 1 1 12 1738 1 1 6 VAL HG23 H -2.645 -1.494 1.869 1.00 . A A . 6 VAL HG23 1 1 12 1739 1 1 6 VAL N N -0.012 -0.722 0.253 1.00 . A A . 6 VAL N 1 1 12 1740 1 1 6 VAL O O -0.091 -1.802 -2.380 1.00 . A A . 6 VAL O 1 1 12 1741 1 1 7 GLY C C 1.575 -4.404 -2.867 1.00 . A A . 7 GLY C 1 1 12 1742 1 1 7 GLY CA C 0.087 -4.535 -2.615 1.00 . A A . 7 GLY CA 1 1 12 1743 1 1 7 GLY H H -0.606 -4.347 -0.592 1.00 . A A . 7 GLY H 1 1 12 1744 1 1 7 GLY HA2 H -0.157 -5.591 -2.498 1.00 . A A . 7 GLY HA2 1 1 12 1745 1 1 7 GLY HA3 H -0.454 -4.141 -3.476 1.00 . A A . 7 GLY HA3 1 1 12 1746 1 1 7 GLY N N -0.341 -3.823 -1.426 1.00 . A A . 7 GLY N 1 1 12 1747 1 1 7 GLY O O 2.001 -4.126 -3.989 1.00 . A A . 7 GLY O 1 1 12 1748 1 1 8 HIS C C 4.472 -5.875 -1.796 1.00 . A A . 8 HIS C 1 1 12 1749 1 1 8 HIS CA C 3.821 -4.501 -1.933 1.00 . A A . 8 HIS CA 1 1 12 1750 1 1 8 HIS CB C 4.371 -3.555 -0.869 1.00 . A A . 8 HIS CB 1 1 12 1751 1 1 8 HIS CD2 C 3.171 -1.385 -1.643 1.00 . A A . 8 HIS CD2 1 1 12 1752 1 1 8 HIS CE1 C 4.899 -0.043 -1.566 1.00 . A A . 8 HIS CE1 1 1 12 1753 1 1 8 HIS CG C 4.256 -2.099 -1.233 1.00 . A A . 8 HIS CG 1 1 12 1754 1 1 8 HIS H H 1.958 -4.829 -0.916 1.00 . A A . 8 HIS H 1 1 12 1755 1 1 8 HIS HA H 4.090 -4.097 -2.914 1.00 . A A . 8 HIS HA 1 1 12 1756 1 1 8 HIS HB2 H 3.820 -3.720 0.054 1.00 . A A . 8 HIS HB2 1 1 12 1757 1 1 8 HIS HB3 H 5.426 -3.774 -0.691 1.00 . A A . 8 HIS HB3 1 1 12 1758 1 1 8 HIS HD1 H 6.293 -1.472 -0.920 1.00 . A A . 8 HIS HD1 1 1 12 1759 1 1 8 HIS HD2 H 2.143 -1.704 -1.569 1.00 . A A . 8 HIS HD2 1 1 12 1760 1 1 8 HIS HE1 H 5.516 0.842 -1.630 1.00 . A A . 8 HIS HE1 1 1 12 1761 1 1 8 HIS N N 2.370 -4.602 -1.820 1.00 . A A . 8 HIS N 1 1 12 1762 1 1 8 HIS ND1 N 5.338 -1.236 -1.190 1.00 . A A . 8 HIS ND1 1 1 12 1763 1 1 8 HIS NE2 N 3.595 -0.084 -1.850 1.00 . A A . 8 HIS NE2 1 1 12 1764 1 1 8 HIS O O 5.626 -5.988 -1.382 1.00 . A A . 8 HIS O 1 1 12 1765 1 1 9 LEU C C 4.012 -9.026 -3.374 1.00 . A A . 9 LEU C 1 1 12 1766 1 1 9 LEU CA C 4.228 -8.282 -2.060 1.00 . A A . 9 LEU CA 1 1 12 1767 1 1 9 LEU CB C 3.539 -9.031 -0.919 1.00 . A A . 9 LEU CB 1 1 12 1768 1 1 9 LEU CD1 C 1.532 -10.402 -0.303 1.00 . A A . 9 LEU CD1 1 1 12 1769 1 1 9 LEU CD2 C 1.348 -7.911 -0.435 1.00 . A A . 9 LEU CD2 1 1 12 1770 1 1 9 LEU CG C 2.017 -9.149 -1.015 1.00 . A A . 9 LEU CG 1 1 12 1771 1 1 9 LEU H H 2.776 -6.755 -2.484 1.00 . A A . 9 LEU H 1 1 12 1772 1 1 9 LEU HA H 5.303 -8.264 -1.866 1.00 . A A . 9 LEU HA 1 1 12 1773 1 1 9 LEU HB2 H 3.963 -10.037 -0.892 1.00 . A A . 9 LEU HB2 1 1 12 1774 1 1 9 LEU HB3 H 3.797 -8.530 0.017 1.00 . A A . 9 LEU HB3 1 1 12 1775 1 1 9 LEU HD11 H 1.949 -11.286 -0.785 1.00 . A A . 9 LEU HD11 1 1 12 1776 1 1 9 LEU HD12 H 0.443 -10.445 -0.344 1.00 . A A . 9 LEU HD12 1 1 12 1777 1 1 9 LEU HD13 H 1.857 -10.369 0.737 1.00 . A A . 9 LEU HD13 1 1 12 1778 1 1 9 LEU HD21 H 1.616 -7.030 -1.015 1.00 . A A . 9 LEU HD21 1 1 12 1779 1 1 9 LEU HD22 H 1.671 -7.779 0.598 1.00 . A A . 9 LEU HD22 1 1 12 1780 1 1 9 LEU HD23 H 0.266 -8.043 -0.459 1.00 . A A . 9 LEU HD23 1 1 12 1781 1 1 9 LEU HG H 1.741 -9.231 -2.062 1.00 . A A . 9 LEU HG 1 1 12 1782 1 1 9 LEU N N 3.725 -6.916 -2.145 1.00 . A A . 9 LEU N 1 1 12 1783 1 1 9 LEU O O 2.963 -8.899 -4.005 1.00 . A A . 9 LEU O 1 1 12 1784 1 1 10 MET C C 4.821 -12.062 -4.728 1.00 . A A . 10 MET C 1 1 12 1785 1 1 10 MET CA C 4.928 -10.568 -5.019 1.00 . A A . 10 MET CA 1 1 12 1786 1 1 10 MET CB C 6.150 -10.294 -5.897 1.00 . A A . 10 MET CB 1 1 12 1787 1 1 10 MET CE C 5.536 -6.336 -6.856 1.00 . A A . 10 MET CE 1 1 12 1788 1 1 10 MET CG C 5.999 -9.068 -6.783 1.00 . A A . 10 MET CG 1 1 12 1789 1 1 10 MET H H 5.856 -9.866 -3.214 1.00 . A A . 10 MET H 1 1 12 1790 1 1 10 MET HA H 4.032 -10.282 -5.570 1.00 . A A . 10 MET HA 1 1 12 1791 1 1 10 MET HB2 H 7.006 -10.133 -5.244 1.00 . A A . 10 MET HB2 1 1 12 1792 1 1 10 MET HB3 H 6.351 -11.166 -6.528 1.00 . A A . 10 MET HB3 1 1 12 1793 1 1 10 MET HE1 H 6.000 -5.354 -6.764 1.00 . A A . 10 MET HE1 1 1 12 1794 1 1 10 MET HE2 H 4.525 -6.300 -6.450 1.00 . A A . 10 MET HE2 1 1 12 1795 1 1 10 MET HE3 H 5.496 -6.623 -7.907 1.00 . A A . 10 MET HE3 1 1 12 1796 1 1 10 MET HG2 H 6.621 -9.188 -7.671 1.00 . A A . 10 MET HG2 1 1 12 1797 1 1 10 MET HG3 H 4.962 -8.967 -7.098 1.00 . A A . 10 MET HG3 1 1 12 1798 1 1 10 MET N N 5.011 -9.802 -3.781 1.00 . A A . 10 MET N 1 1 12 1799 1 1 10 MET O O 3.718 -12.524 -4.492 1.00 . A A . 10 MET O 1 1 12 1800 1 1 10 MET SD S 6.501 -7.546 -5.954 1.00 . A A . 10 MET SD 1 1 13 1801 1 1 1 GLY C C -6.062 6.060 3.160 1.00 . A A . 1 GLY C 1 1 13 1802 1 1 1 GLY CA C -6.711 7.346 2.689 1.00 . A A . 1 GLY CA 1 1 13 1803 1 1 1 GLY H1 H -4.977 7.627 1.640 1.00 . A A . 1 GLY H1 1 1 13 1804 1 1 1 GLY H2 H -5.476 8.973 2.550 1.00 . A A . 1 GLY H2 1 1 13 1805 1 1 1 GLY H3 H -6.278 8.572 1.105 1.00 . A A . 1 GLY H3 1 1 13 1806 1 1 1 GLY HA2 H -7.069 7.898 3.557 1.00 . A A . 1 GLY HA2 1 1 13 1807 1 1 1 GLY HA3 H -7.560 7.098 2.052 1.00 . A A . 1 GLY HA3 1 1 13 1808 1 1 1 GLY N N -5.796 8.189 1.943 1.00 . A A . 1 GLY N 1 1 13 1809 1 1 1 GLY O O -5.145 6.083 3.979 1.00 . A A . 1 GLY O 1 1 13 1810 1 1 2 ASN C C -5.233 3.006 1.854 1.00 . A A . 2 ASN C 1 1 13 1811 1 1 2 ASN CA C -6.001 3.631 3.015 1.00 . A A . 2 ASN CA 1 1 13 1812 1 1 2 ASN CB C -7.130 2.696 3.456 1.00 . A A . 2 ASN CB 1 1 13 1813 1 1 2 ASN CG C -8.224 3.426 4.210 1.00 . A A . 2 ASN CG 1 1 13 1814 1 1 2 ASN H H -7.306 4.979 1.970 1.00 . A A . 2 ASN H 1 1 13 1815 1 1 2 ASN HA H -5.312 3.746 3.858 1.00 . A A . 2 ASN HA 1 1 13 1816 1 1 2 ASN HB2 H -7.580 2.240 2.572 1.00 . A A . 2 ASN HB2 1 1 13 1817 1 1 2 ASN HB3 H -6.722 1.906 4.090 1.00 . A A . 2 ASN HB3 1 1 13 1818 1 1 2 ASN HD21 H -7.552 2.675 5.991 1.00 . A A . 2 ASN HD21 1 1 13 1819 1 1 2 ASN HD22 H -8.953 3.749 6.080 1.00 . A A . 2 ASN HD22 1 1 13 1820 1 1 2 ASN N N -6.540 4.933 2.642 1.00 . A A . 2 ASN N 1 1 13 1821 1 1 2 ASN ND2 N -8.241 3.270 5.529 1.00 . A A . 2 ASN ND2 1 1 13 1822 1 1 2 ASN O O -5.160 1.783 1.730 1.00 . A A . 2 ASN O 1 1 13 1823 1 1 2 ASN OD1 O -9.044 4.124 3.614 1.00 . A A . 2 ASN OD1 1 1 13 1824 1 1 3 HIS C C -2.428 3.776 -0.018 1.00 . A A . 3 HIS C 1 1 13 1825 1 1 3 HIS CA C -3.898 3.386 -0.146 1.00 . A A . 3 HIS CA 1 1 13 1826 1 1 3 HIS CB C -4.481 3.961 -1.437 1.00 . A A . 3 HIS CB 1 1 13 1827 1 1 3 HIS CD2 C -5.452 6.311 -0.912 1.00 . A A . 3 HIS CD2 1 1 13 1828 1 1 3 HIS CE1 C -3.919 7.502 -1.924 1.00 . A A . 3 HIS CE1 1 1 13 1829 1 1 3 HIS CG C -4.536 5.463 -1.458 1.00 . A A . 3 HIS CG 1 1 13 1830 1 1 3 HIS H H -4.757 4.857 1.164 1.00 . A A . 3 HIS H 1 1 13 1831 1 1 3 HIS HA H -3.950 2.296 -0.204 1.00 . A A . 3 HIS HA 1 1 13 1832 1 1 3 HIS HB2 H -3.867 3.631 -2.274 1.00 . A A . 3 HIS HB2 1 1 13 1833 1 1 3 HIS HB3 H -5.490 3.568 -1.567 1.00 . A A . 3 HIS HB3 1 1 13 1834 1 1 3 HIS HD1 H -2.757 5.889 -2.596 1.00 . A A . 3 HIS HD1 1 1 13 1835 1 1 3 HIS HD2 H -6.203 6.045 -0.182 1.00 . A A . 3 HIS HD2 1 1 13 1836 1 1 3 HIS HE1 H -3.361 8.342 -2.310 1.00 . A A . 3 HIS HE1 1 1 13 1837 1 1 3 HIS N N -4.661 3.855 1.005 1.00 . A A . 3 HIS N 1 1 13 1838 1 1 3 HIS ND1 N -3.575 6.233 -2.093 1.00 . A A . 3 HIS ND1 1 1 13 1839 1 1 3 HIS NE2 N -5.045 7.599 -1.217 1.00 . A A . 3 HIS NE2 1 1 13 1840 1 1 3 HIS O O -1.758 4.042 -1.015 1.00 . A A . 3 HIS O 1 1 13 1841 1 1 4 TRP C C 0.388 3.014 1.126 1.00 . A A . 4 TRP C 1 1 13 1842 1 1 4 TRP CA C -0.546 4.168 1.473 1.00 . A A . 4 TRP CA 1 1 13 1843 1 1 4 TRP CB C -0.363 4.565 2.939 1.00 . A A . 4 TRP CB 1 1 13 1844 1 1 4 TRP CD1 C -1.106 6.744 4.067 1.00 . A A . 4 TRP CD1 1 1 13 1845 1 1 4 TRP CD2 C 0.419 7.017 2.450 1.00 . A A . 4 TRP CD2 1 1 13 1846 1 1 4 TRP CE2 C 0.099 8.280 2.985 1.00 . A A . 4 TRP CE2 1 1 13 1847 1 1 4 TRP CE3 C 1.359 6.941 1.418 1.00 . A A . 4 TRP CE3 1 1 13 1848 1 1 4 TRP CG C -0.361 6.048 3.156 1.00 . A A . 4 TRP CG 1 1 13 1849 1 1 4 TRP CH2 C 1.602 9.351 1.509 1.00 . A A . 4 TRP CH2 1 1 13 1850 1 1 4 TRP CZ2 C 0.686 9.456 2.521 1.00 . A A . 4 TRP CZ2 1 1 13 1851 1 1 4 TRP CZ3 C 1.940 8.108 0.959 1.00 . A A . 4 TRP CZ3 1 1 13 1852 1 1 4 TRP H H -2.541 3.576 2.001 1.00 . A A . 4 TRP H 1 1 13 1853 1 1 4 TRP HA H -0.305 5.012 0.839 1.00 . A A . 4 TRP HA 1 1 13 1854 1 1 4 TRP HB2 H -1.184 4.142 3.514 1.00 . A A . 4 TRP HB2 1 1 13 1855 1 1 4 TRP HB3 H 0.577 4.158 3.324 1.00 . A A . 4 TRP HB3 1 1 13 1856 1 1 4 TRP HD1 H -1.804 6.303 4.762 1.00 . A A . 4 TRP HD1 1 1 13 1857 1 1 4 TRP HE1 H -1.251 8.829 4.530 1.00 . A A . 4 TRP HE1 1 1 13 1858 1 1 4 TRP HE3 H 1.647 5.992 0.996 1.00 . A A . 4 TRP HE3 1 1 13 1859 1 1 4 TRP HH2 H 2.072 10.246 1.130 1.00 . A A . 4 TRP HH2 1 1 13 1860 1 1 4 TRP HZ2 H 0.425 10.416 2.941 1.00 . A A . 4 TRP HZ2 1 1 13 1861 1 1 4 TRP HZ3 H 2.666 8.057 0.160 1.00 . A A . 4 TRP HZ3 1 1 13 1862 1 1 4 TRP N N -1.935 3.809 1.215 1.00 . A A . 4 TRP N 1 1 13 1863 1 1 4 TRP NE1 N -0.833 8.087 3.969 1.00 . A A . 4 TRP NE1 1 1 13 1864 1 1 4 TRP O O 1.089 3.053 0.116 1.00 . A A . 4 TRP O 1 1 13 1865 1 1 5 ALA C C 0.397 -0.433 1.534 1.00 . A A . 5 ALA C 1 1 13 1866 1 1 5 ALA CA C 1.238 0.821 1.751 1.00 . A A . 5 ALA CA 1 1 13 1867 1 1 5 ALA CB C 2.185 0.628 2.925 1.00 . A A . 5 ALA CB 1 1 13 1868 1 1 5 ALA H H -0.211 2.016 2.793 1.00 . A A . 5 ALA H 1 1 13 1869 1 1 5 ALA HA H 1.847 0.970 0.855 1.00 . A A . 5 ALA HA 1 1 13 1870 1 1 5 ALA HB1 H 2.816 1.510 3.033 1.00 . A A . 5 ALA HB1 1 1 13 1871 1 1 5 ALA HB2 H 2.809 -0.249 2.753 1.00 . A A . 5 ALA HB2 1 1 13 1872 1 1 5 ALA HB3 H 1.602 0.486 3.835 1.00 . A A . 5 ALA HB3 1 1 13 1873 1 1 5 ALA N N 0.392 1.987 1.970 1.00 . A A . 5 ALA N 1 1 13 1874 1 1 5 ALA O O 0.060 -1.139 2.485 1.00 . A A . 5 ALA O 1 1 13 1875 1 1 6 VAL C C -0.366 -2.414 -1.441 1.00 . A A . 6 VAL C 1 1 13 1876 1 1 6 VAL CA C -0.739 -1.877 -0.065 1.00 . A A . 6 VAL CA 1 1 13 1877 1 1 6 VAL CB C -2.242 -1.553 -0.040 1.00 . A A . 6 VAL CB 1 1 13 1878 1 1 6 VAL CG1 C -3.061 -2.784 -0.400 1.00 . A A . 6 VAL CG1 1 1 13 1879 1 1 6 VAL CG2 C -2.651 -1.010 1.321 1.00 . A A . 6 VAL CG2 1 1 13 1880 1 1 6 VAL H H 0.377 -0.085 -0.469 1.00 . A A . 6 VAL H 1 1 13 1881 1 1 6 VAL HA H -0.555 -2.665 0.669 1.00 . A A . 6 VAL HA 1 1 13 1882 1 1 6 VAL HB H -2.435 -0.785 -0.791 1.00 . A A . 6 VAL HB 1 1 13 1883 1 1 6 VAL HG11 H -4.119 -2.589 -0.224 1.00 . A A . 6 VAL HG11 1 1 13 1884 1 1 6 VAL HG12 H -2.738 -3.618 0.224 1.00 . A A . 6 VAL HG12 1 1 13 1885 1 1 6 VAL HG13 H -2.913 -3.038 -1.449 1.00 . A A . 6 VAL HG13 1 1 13 1886 1 1 6 VAL HG21 H -2.202 -0.030 1.478 1.00 . A A . 6 VAL HG21 1 1 13 1887 1 1 6 VAL HG22 H -2.305 -1.695 2.095 1.00 . A A . 6 VAL HG22 1 1 13 1888 1 1 6 VAL HG23 H -3.736 -0.920 1.374 1.00 . A A . 6 VAL HG23 1 1 13 1889 1 1 6 VAL N N 0.063 -0.706 0.277 1.00 . A A . 6 VAL N 1 1 13 1890 1 1 6 VAL O O -0.218 -1.653 -2.398 1.00 . A A . 6 VAL O 1 1 13 1891 1 1 7 GLY C C 1.635 -4.504 -2.972 1.00 . A A . 7 GLY C 1 1 13 1892 1 1 7 GLY CA C 0.137 -4.348 -2.801 1.00 . A A . 7 GLY CA 1 1 13 1893 1 1 7 GLY H H -0.354 -4.313 -0.712 1.00 . A A . 7 GLY H 1 1 13 1894 1 1 7 GLY HA2 H -0.319 -5.337 -2.839 1.00 . A A . 7 GLY HA2 1 1 13 1895 1 1 7 GLY HA3 H -0.255 -3.752 -3.628 1.00 . A A . 7 GLY HA3 1 1 13 1896 1 1 7 GLY N N -0.216 -3.730 -1.537 1.00 . A A . 7 GLY N 1 1 13 1897 1 1 7 GLY O O 2.133 -4.602 -4.094 1.00 . A A . 7 GLY O 1 1 13 1898 1 1 8 HIS C C 4.225 -6.078 -1.482 1.00 . A A . 8 HIS C 1 1 13 1899 1 1 8 HIS CA C 3.809 -4.668 -1.889 1.00 . A A . 8 HIS CA 1 1 13 1900 1 1 8 HIS CB C 4.466 -3.642 -0.964 1.00 . A A . 8 HIS CB 1 1 13 1901 1 1 8 HIS CD2 C 5.055 -1.498 -2.305 1.00 . A A . 8 HIS CD2 1 1 13 1902 1 1 8 HIS CE1 C 3.425 -0.231 -1.575 1.00 . A A . 8 HIS CE1 1 1 13 1903 1 1 8 HIS CG C 4.304 -2.221 -1.428 1.00 . A A . 8 HIS CG 1 1 13 1904 1 1 8 HIS H H 1.887 -4.440 -0.956 1.00 . A A . 8 HIS H 1 1 13 1905 1 1 8 HIS HA H 4.174 -4.481 -2.902 1.00 . A A . 8 HIS HA 1 1 13 1906 1 1 8 HIS HB2 H 4.013 -3.732 0.021 1.00 . A A . 8 HIS HB2 1 1 13 1907 1 1 8 HIS HB3 H 5.531 -3.869 -0.885 1.00 . A A . 8 HIS HB3 1 1 13 1908 1 1 8 HIS HD1 H 2.550 -1.656 -0.312 1.00 . A A . 8 HIS HD1 1 1 13 1909 1 1 8 HIS HD2 H 6.039 -1.765 -2.661 1.00 . A A . 8 HIS HD2 1 1 13 1910 1 1 8 HIS HE1 H 2.774 0.617 -1.423 1.00 . A A . 8 HIS HE1 1 1 13 1911 1 1 8 HIS N N 2.358 -4.525 -1.857 1.00 . A A . 8 HIS N 1 1 13 1912 1 1 8 HIS ND1 N 3.279 -1.404 -0.978 1.00 . A A . 8 HIS ND1 1 1 13 1913 1 1 8 HIS NE2 N 4.485 -0.241 -2.387 1.00 . A A . 8 HIS NE2 1 1 13 1914 1 1 8 HIS O O 5.299 -6.279 -0.912 1.00 . A A . 8 HIS O 1 1 13 1915 1 1 9 LEU C C 4.584 -9.073 -2.464 1.00 . A A . 9 LEU C 1 1 13 1916 1 1 9 LEU CA C 3.647 -8.442 -1.440 1.00 . A A . 9 LEU CA 1 1 13 1917 1 1 9 LEU CB C 2.343 -9.239 -1.365 1.00 . A A . 9 LEU CB 1 1 13 1918 1 1 9 LEU CD1 C 0.063 -9.396 -0.336 1.00 . A A . 9 LEU CD1 1 1 13 1919 1 1 9 LEU CD2 C 2.085 -9.958 1.022 1.00 . A A . 9 LEU CD2 1 1 13 1920 1 1 9 LEU CG C 1.528 -9.074 -0.082 1.00 . A A . 9 LEU CG 1 1 13 1921 1 1 9 LEU H H 2.495 -6.818 -2.251 1.00 . A A . 9 LEU H 1 1 13 1922 1 1 9 LEU HA H 4.123 -8.480 -0.462 1.00 . A A . 9 LEU HA 1 1 13 1923 1 1 9 LEU HB2 H 1.726 -8.923 -2.208 1.00 . A A . 9 LEU HB2 1 1 13 1924 1 1 9 LEU HB3 H 2.571 -10.302 -1.491 1.00 . A A . 9 LEU HB3 1 1 13 1925 1 1 9 LEU HD11 H -0.358 -8.682 -1.044 1.00 . A A . 9 LEU HD11 1 1 13 1926 1 1 9 LEU HD12 H -0.488 -9.343 0.603 1.00 . A A . 9 LEU HD12 1 1 13 1927 1 1 9 LEU HD13 H -0.015 -10.402 -0.747 1.00 . A A . 9 LEU HD13 1 1 13 1928 1 1 9 LEU HD21 H 3.101 -9.659 1.271 1.00 . A A . 9 LEU HD21 1 1 13 1929 1 1 9 LEU HD22 H 2.083 -10.995 0.685 1.00 . A A . 9 LEU HD22 1 1 13 1930 1 1 9 LEU HD23 H 1.455 -9.866 1.907 1.00 . A A . 9 LEU HD23 1 1 13 1931 1 1 9 LEU HG H 1.605 -8.032 0.231 1.00 . A A . 9 LEU HG 1 1 13 1932 1 1 9 LEU N N 3.369 -7.050 -1.777 1.00 . A A . 9 LEU N 1 1 13 1933 1 1 9 LEU O O 4.852 -8.492 -3.515 1.00 . A A . 9 LEU O 1 1 13 1934 1 1 10 MET C C 5.226 -12.003 -3.883 1.00 . A A . 10 MET C 1 1 13 1935 1 1 10 MET CA C 5.984 -10.978 -3.046 1.00 . A A . 10 MET CA 1 1 13 1936 1 1 10 MET CB C 7.088 -11.671 -2.245 1.00 . A A . 10 MET CB 1 1 13 1937 1 1 10 MET CE C 9.141 -14.797 -2.198 1.00 . A A . 10 MET CE 1 1 13 1938 1 1 10 MET CG C 8.104 -12.395 -3.112 1.00 . A A . 10 MET CG 1 1 13 1939 1 1 10 MET H H 4.819 -10.697 -1.264 1.00 . A A . 10 MET H 1 1 13 1940 1 1 10 MET HA H 6.459 -10.265 -3.724 1.00 . A A . 10 MET HA 1 1 13 1941 1 1 10 MET HB2 H 7.614 -10.924 -1.651 1.00 . A A . 10 MET HB2 1 1 13 1942 1 1 10 MET HB3 H 6.624 -12.394 -1.573 1.00 . A A . 10 MET HB3 1 1 13 1943 1 1 10 MET HE1 H 9.264 -15.167 -3.216 1.00 . A A . 10 MET HE1 1 1 13 1944 1 1 10 MET HE2 H 9.825 -15.325 -1.534 1.00 . A A . 10 MET HE2 1 1 13 1945 1 1 10 MET HE3 H 8.115 -14.966 -1.871 1.00 . A A . 10 MET HE3 1 1 13 1946 1 1 10 MET HG2 H 7.606 -13.225 -3.612 1.00 . A A . 10 MET HG2 1 1 13 1947 1 1 10 MET HG3 H 8.477 -11.699 -3.864 1.00 . A A . 10 MET HG3 1 1 13 1948 1 1 10 MET N N 5.079 -10.266 -2.151 1.00 . A A . 10 MET N 1 1 13 1949 1 1 10 MET O O 5.160 -13.146 -3.459 1.00 . A A . 10 MET O 1 1 13 1950 1 1 10 MET SD S 9.493 -13.042 -2.161 1.00 . A A . 10 MET SD 1 1 14 1951 1 1 1 GLY C C -8.598 5.273 3.512 1.00 . A A . 1 GLY C 1 1 14 1952 1 1 1 GLY CA C -9.238 5.388 4.880 1.00 . A A . 1 GLY CA 1 1 14 1953 1 1 1 GLY H1 H -9.508 3.372 5.105 1.00 . A A . 1 GLY H1 1 1 14 1954 1 1 1 GLY H2 H -10.881 4.212 4.556 1.00 . A A . 1 GLY H2 1 1 14 1955 1 1 1 GLY H3 H -10.405 4.323 6.185 1.00 . A A . 1 GLY H3 1 1 14 1956 1 1 1 GLY HA2 H -9.854 6.287 4.906 1.00 . A A . 1 GLY HA2 1 1 14 1957 1 1 1 GLY HA3 H -8.451 5.477 5.629 1.00 . A A . 1 GLY HA3 1 1 14 1958 1 1 1 GLY N N -10.067 4.243 5.205 1.00 . A A . 1 GLY N 1 1 14 1959 1 1 1 GLY O O -9.217 4.780 2.570 1.00 . A A . 1 GLY O 1 1 14 1960 1 1 2 ASN C C -5.684 4.480 2.100 1.00 . A A . 2 ASN C 1 1 14 1961 1 1 2 ASN CA C -6.631 5.676 2.135 1.00 . A A . 2 ASN CA 1 1 14 1962 1 1 2 ASN CB C -5.844 6.971 1.920 1.00 . A A . 2 ASN CB 1 1 14 1963 1 1 2 ASN CG C -4.727 7.143 2.931 1.00 . A A . 2 ASN CG 1 1 14 1964 1 1 2 ASN H H -6.895 6.128 4.219 1.00 . A A . 2 ASN H 1 1 14 1965 1 1 2 ASN HA H -7.345 5.568 1.315 1.00 . A A . 2 ASN HA 1 1 14 1966 1 1 2 ASN HB2 H -5.419 6.967 0.917 1.00 . A A . 2 ASN HB2 1 1 14 1967 1 1 2 ASN HB3 H -6.530 7.815 2.012 1.00 . A A . 2 ASN HB3 1 1 14 1968 1 1 2 ASN HD21 H -3.427 6.122 1.724 1.00 . A A . 2 ASN HD21 1 1 14 1969 1 1 2 ASN HD22 H -2.771 6.694 3.262 1.00 . A A . 2 ASN HD22 1 1 14 1970 1 1 2 ASN N N -7.354 5.729 3.400 1.00 . A A . 2 ASN N 1 1 14 1971 1 1 2 ASN ND2 N -3.553 6.610 2.612 1.00 . A A . 2 ASN ND2 1 1 14 1972 1 1 2 ASN O O -5.520 3.775 3.096 1.00 . A A . 2 ASN O 1 1 14 1973 1 1 2 ASN OD1 O -4.917 7.749 3.986 1.00 . A A . 2 ASN OD1 1 1 14 1974 1 1 3 HIS C C -2.700 3.655 0.656 1.00 . A A . 3 HIS C 1 1 14 1975 1 1 3 HIS CA C -4.133 3.147 0.779 1.00 . A A . 3 HIS CA 1 1 14 1976 1 1 3 HIS CB C -4.503 2.323 -0.453 1.00 . A A . 3 HIS CB 1 1 14 1977 1 1 3 HIS CD2 C -5.573 0.394 0.916 1.00 . A A . 3 HIS CD2 1 1 14 1978 1 1 3 HIS CE1 C -7.130 -0.164 -0.519 1.00 . A A . 3 HIS CE1 1 1 14 1979 1 1 3 HIS CG C -5.470 1.207 -0.173 1.00 . A A . 3 HIS CG 1 1 14 1980 1 1 3 HIS H H -5.245 4.874 0.153 1.00 . A A . 3 HIS H 1 1 14 1981 1 1 3 HIS HA H -4.178 2.497 1.654 1.00 . A A . 3 HIS HA 1 1 14 1982 1 1 3 HIS HB2 H -4.960 2.989 -1.183 1.00 . A A . 3 HIS HB2 1 1 14 1983 1 1 3 HIS HB3 H -3.600 1.891 -0.893 1.00 . A A . 3 HIS HB3 1 1 14 1984 1 1 3 HIS HD1 H -6.643 1.261 -1.979 1.00 . A A . 3 HIS HD1 1 1 14 1985 1 1 3 HIS HD2 H -4.799 0.235 1.652 1.00 . A A . 3 HIS HD2 1 1 14 1986 1 1 3 HIS HE1 H -7.966 -0.665 -0.983 1.00 . A A . 3 HIS HE1 1 1 14 1987 1 1 3 HIS N N -5.065 4.257 0.944 1.00 . A A . 3 HIS N 1 1 14 1988 1 1 3 HIS ND1 N -6.461 0.840 -1.068 1.00 . A A . 3 HIS ND1 1 1 14 1989 1 1 3 HIS NE2 N -6.629 -0.469 0.681 1.00 . A A . 3 HIS NE2 1 1 14 1990 1 1 3 HIS O O -2.214 3.909 -0.447 1.00 . A A . 3 HIS O 1 1 14 1991 1 1 4 TRP C C 0.275 3.296 1.104 1.00 . A A . 4 TRP C 1 1 14 1992 1 1 4 TRP CA C -0.651 4.278 1.812 1.00 . A A . 4 TRP CA 1 1 14 1993 1 1 4 TRP CB C -0.183 4.492 3.253 1.00 . A A . 4 TRP CB 1 1 14 1994 1 1 4 TRP CD1 C -0.186 6.645 4.643 1.00 . A A . 4 TRP CD1 1 1 14 1995 1 1 4 TRP CD2 C 1.003 6.774 2.749 1.00 . A A . 4 TRP CD2 1 1 14 1996 1 1 4 TRP CE2 C 1.082 8.012 3.415 1.00 . A A . 4 TRP CE2 1 1 14 1997 1 1 4 TRP CE3 C 1.674 6.618 1.534 1.00 . A A . 4 TRP CE3 1 1 14 1998 1 1 4 TRP CG C 0.187 5.914 3.552 1.00 . A A . 4 TRP CG 1 1 14 1999 1 1 4 TRP CH2 C 2.453 8.906 1.711 1.00 . A A . 4 TRP CH2 1 1 14 2000 1 1 4 TRP CZ2 C 1.805 9.087 2.903 1.00 . A A . 4 TRP CZ2 1 1 14 2001 1 1 4 TRP CZ3 C 2.391 7.685 1.027 1.00 . A A . 4 TRP CZ3 1 1 14 2002 1 1 4 TRP H H -2.487 3.567 2.674 1.00 . A A . 4 TRP H 1 1 14 2003 1 1 4 TRP HA H -0.621 5.227 1.279 1.00 . A A . 4 TRP HA 1 1 14 2004 1 1 4 TRP HB2 H -0.995 4.213 3.922 1.00 . A A . 4 TRP HB2 1 1 14 2005 1 1 4 TRP HB3 H 0.678 3.854 3.473 1.00 . A A . 4 TRP HB3 1 1 14 2006 1 1 4 TRP HD1 H -0.810 6.282 5.447 1.00 . A A . 4 TRP HD1 1 1 14 2007 1 1 4 TRP HE1 H 0.226 8.657 5.250 1.00 . A A . 4 TRP HE1 1 1 14 2008 1 1 4 TRP HE3 H 1.638 5.679 1.003 1.00 . A A . 4 TRP HE3 1 1 14 2009 1 1 4 TRP HH2 H 3.022 9.724 1.290 1.00 . A A . 4 TRP HH2 1 1 14 2010 1 1 4 TRP HZ2 H 1.853 10.030 3.427 1.00 . A A . 4 TRP HZ2 1 1 14 2011 1 1 4 TRP HZ3 H 2.912 7.571 0.088 1.00 . A A . 4 TRP HZ3 1 1 14 2012 1 1 4 TRP N N -2.029 3.801 1.793 1.00 . A A . 4 TRP N 1 1 14 2013 1 1 4 TRP NE1 N 0.348 7.909 4.567 1.00 . A A . 4 TRP NE1 1 1 14 2014 1 1 4 TRP O O 0.810 3.593 0.037 1.00 . A A . 4 TRP O 1 1 14 2015 1 1 5 ALA C C 0.557 -0.203 0.921 1.00 . A A . 5 ALA C 1 1 14 2016 1 1 5 ALA CA C 1.322 1.100 1.130 1.00 . A A . 5 ALA CA 1 1 14 2017 1 1 5 ALA CB C 2.532 0.867 2.021 1.00 . A A . 5 ALA CB 1 1 14 2018 1 1 5 ALA H H -0.010 1.941 2.592 1.00 . A A . 5 ALA H 1 1 14 2019 1 1 5 ALA HA H 1.686 1.429 0.153 1.00 . A A . 5 ALA HA 1 1 14 2020 1 1 5 ALA HB1 H 3.141 1.771 2.052 1.00 . A A . 5 ALA HB1 1 1 14 2021 1 1 5 ALA HB2 H 3.125 0.042 1.626 1.00 . A A . 5 ALA HB2 1 1 14 2022 1 1 5 ALA HB3 H 2.194 0.623 3.028 1.00 . A A . 5 ALA HB3 1 1 14 2023 1 1 5 ALA N N 0.460 2.126 1.705 1.00 . A A . 5 ALA N 1 1 14 2024 1 1 5 ALA O O 0.347 -0.969 1.862 1.00 . A A . 5 ALA O 1 1 14 2025 1 1 6 VAL C C -0.031 -2.324 -1.899 1.00 . A A . 6 VAL C 1 1 14 2026 1 1 6 VAL CA C -0.599 -1.660 -0.652 1.00 . A A . 6 VAL CA 1 1 14 2027 1 1 6 VAL CB C -2.091 -1.360 -0.874 1.00 . A A . 6 VAL CB 1 1 14 2028 1 1 6 VAL CG1 C -2.280 -0.452 -2.080 1.00 . A A . 6 VAL CG1 1 1 14 2029 1 1 6 VAL CG2 C -2.875 -2.653 -1.043 1.00 . A A . 6 VAL CG2 1 1 14 2030 1 1 6 VAL H H 0.352 0.224 -1.056 1.00 . A A . 6 VAL H 1 1 14 2031 1 1 6 VAL HA H -0.516 -2.374 0.171 1.00 . A A . 6 VAL HA 1 1 14 2032 1 1 6 VAL HB H -2.469 -0.840 0.006 1.00 . A A . 6 VAL HB 1 1 14 2033 1 1 6 VAL HG11 H -1.618 0.409 -2.000 1.00 . A A . 6 VAL HG11 1 1 14 2034 1 1 6 VAL HG12 H -3.315 -0.113 -2.126 1.00 . A A . 6 VAL HG12 1 1 14 2035 1 1 6 VAL HG13 H -2.041 -1.010 -2.986 1.00 . A A . 6 VAL HG13 1 1 14 2036 1 1 6 VAL HG21 H -2.682 -3.314 -0.198 1.00 . A A . 6 VAL HG21 1 1 14 2037 1 1 6 VAL HG22 H -2.560 -3.141 -1.965 1.00 . A A . 6 VAL HG22 1 1 14 2038 1 1 6 VAL HG23 H -3.942 -2.433 -1.097 1.00 . A A . 6 VAL HG23 1 1 14 2039 1 1 6 VAL N N 0.143 -0.449 -0.318 1.00 . A A . 6 VAL N 1 1 14 2040 1 1 6 VAL O O 0.420 -1.649 -2.825 1.00 . A A . 6 VAL O 1 1 14 2041 1 1 7 GLY C C 1.915 -4.760 -2.904 1.00 . A A . 7 GLY C 1 1 14 2042 1 1 7 GLY CA C 0.454 -4.387 -3.063 1.00 . A A . 7 GLY CA 1 1 14 2043 1 1 7 GLY H H -0.445 -4.162 -1.127 1.00 . A A . 7 GLY H 1 1 14 2044 1 1 7 GLY HA2 H -0.126 -5.303 -3.171 1.00 . A A . 7 GLY HA2 1 1 14 2045 1 1 7 GLY HA3 H 0.339 -3.791 -3.971 1.00 . A A . 7 GLY HA3 1 1 14 2046 1 1 7 GLY N N -0.058 -3.653 -1.922 1.00 . A A . 7 GLY N 1 1 14 2047 1 1 7 GLY O O 2.623 -4.965 -3.891 1.00 . A A . 7 GLY O 1 1 14 2048 1 1 8 HIS C C 3.868 -6.646 -0.913 1.00 . A A . 8 HIS C 1 1 14 2049 1 1 8 HIS CA C 3.757 -5.197 -1.373 1.00 . A A . 8 HIS CA 1 1 14 2050 1 1 8 HIS CB C 4.332 -4.265 -0.306 1.00 . A A . 8 HIS CB 1 1 14 2051 1 1 8 HIS CD2 C 5.860 -2.651 -1.648 1.00 . A A . 8 HIS CD2 1 1 14 2052 1 1 8 HIS CE1 C 4.806 -0.788 -1.187 1.00 . A A . 8 HIS CE1 1 1 14 2053 1 1 8 HIS CG C 4.798 -2.941 -0.845 1.00 . A A . 8 HIS CG 1 1 14 2054 1 1 8 HIS H H 1.735 -4.666 -0.881 1.00 . A A . 8 HIS H 1 1 14 2055 1 1 8 HIS HA H 4.358 -5.081 -2.280 1.00 . A A . 8 HIS HA 1 1 14 2056 1 1 8 HIS HB2 H 3.557 -4.073 0.432 1.00 . A A . 8 HIS HB2 1 1 14 2057 1 1 8 HIS HB3 H 5.177 -4.746 0.192 1.00 . A A . 8 HIS HB3 1 1 14 2058 1 1 8 HIS HD1 H 3.312 -1.637 0.014 1.00 . A A . 8 HIS HD1 1 1 14 2059 1 1 8 HIS HD2 H 6.441 -3.367 -2.210 1.00 . A A . 8 HIS HD2 1 1 14 2060 1 1 8 HIS HE1 H 4.535 0.257 -1.156 1.00 . A A . 8 HIS HE1 1 1 14 2061 1 1 8 HIS N N 2.370 -4.847 -1.658 1.00 . A A . 8 HIS N 1 1 14 2062 1 1 8 HIS ND1 N 4.145 -1.752 -0.564 1.00 . A A . 8 HIS ND1 1 1 14 2063 1 1 8 HIS NE2 N 5.851 -1.283 -1.855 1.00 . A A . 8 HIS NE2 1 1 14 2064 1 1 8 HIS O O 4.774 -7.001 -0.157 1.00 . A A . 8 HIS O 1 1 14 2065 1 1 9 LEU C C 3.531 -9.746 -2.124 1.00 . A A . 9 LEU C 1 1 14 2066 1 1 9 LEU CA C 2.936 -8.894 -1.008 1.00 . A A . 9 LEU CA 1 1 14 2067 1 1 9 LEU CB C 1.510 -9.355 -0.702 1.00 . A A . 9 LEU CB 1 1 14 2068 1 1 9 LEU CD1 C -0.650 -8.736 0.409 1.00 . A A . 9 LEU CD1 1 1 14 2069 1 1 9 LEU CD2 C 1.279 -9.533 1.788 1.00 . A A . 9 LEU CD2 1 1 14 2070 1 1 9 LEU CG C 0.864 -8.755 0.548 1.00 . A A . 9 LEU CG 1 1 14 2071 1 1 9 LEU H H 2.219 -7.128 -1.999 1.00 . A A . 9 LEU H 1 1 14 2072 1 1 9 LEU HA H 3.533 -9.039 -0.105 1.00 . A A . 9 LEU HA 1 1 14 2073 1 1 9 LEU HB2 H 0.898 -9.096 -1.567 1.00 . A A . 9 LEU HB2 1 1 14 2074 1 1 9 LEU HB3 H 1.514 -10.445 -0.601 1.00 . A A . 9 LEU HB3 1 1 14 2075 1 1 9 LEU HD11 H -1.095 -8.434 1.356 1.00 . A A . 9 LEU HD11 1 1 14 2076 1 1 9 LEU HD12 H -0.996 -9.736 0.147 1.00 . A A . 9 LEU HD12 1 1 14 2077 1 1 9 LEU HD13 H -0.943 -8.035 -0.372 1.00 . A A . 9 LEU HD13 1 1 14 2078 1 1 9 LEU HD21 H 0.811 -9.091 2.667 1.00 . A A . 9 LEU HD21 1 1 14 2079 1 1 9 LEU HD22 H 2.363 -9.506 1.902 1.00 . A A . 9 LEU HD22 1 1 14 2080 1 1 9 LEU HD23 H 0.951 -10.567 1.684 1.00 . A A . 9 LEU HD23 1 1 14 2081 1 1 9 LEU HG H 1.215 -7.726 0.648 1.00 . A A . 9 LEU HG 1 1 14 2082 1 1 9 LEU N N 2.943 -7.481 -1.373 1.00 . A A . 9 LEU N 1 1 14 2083 1 1 9 LEU O O 2.957 -9.856 -3.207 1.00 . A A . 9 LEU O 1 1 14 2084 1 1 10 MET C C 4.454 -12.356 -3.253 1.00 . A A . 10 MET C 1 1 14 2085 1 1 10 MET CA C 5.353 -11.198 -2.830 1.00 . A A . 10 MET CA 1 1 14 2086 1 1 10 MET CB C 6.664 -11.737 -2.258 1.00 . A A . 10 MET CB 1 1 14 2087 1 1 10 MET CE C 9.020 -12.414 0.298 1.00 . A A . 10 MET CE 1 1 14 2088 1 1 10 MET CG C 6.514 -12.369 -0.884 1.00 . A A . 10 MET CG 1 1 14 2089 1 1 10 MET H H 5.106 -10.226 -0.930 1.00 . A A . 10 MET H 1 1 14 2090 1 1 10 MET HA H 5.574 -10.596 -3.710 1.00 . A A . 10 MET HA 1 1 14 2091 1 1 10 MET HB2 H 7.065 -12.475 -2.958 1.00 . A A . 10 MET HB2 1 1 14 2092 1 1 10 MET HB3 H 7.369 -10.907 -2.190 1.00 . A A . 10 MET HB3 1 1 14 2093 1 1 10 MET HE1 H 8.938 -13.329 0.885 1.00 . A A . 10 MET HE1 1 1 14 2094 1 1 10 MET HE2 H 9.232 -12.666 -0.741 1.00 . A A . 10 MET HE2 1 1 14 2095 1 1 10 MET HE3 H 9.828 -11.800 0.695 1.00 . A A . 10 MET HE3 1 1 14 2096 1 1 10 MET HG2 H 5.464 -12.355 -0.590 1.00 . A A . 10 MET HG2 1 1 14 2097 1 1 10 MET HG3 H 6.850 -13.409 -0.923 1.00 . A A . 10 MET HG3 1 1 14 2098 1 1 10 MET N N 4.683 -10.351 -1.850 1.00 . A A . 10 MET N 1 1 14 2099 1 1 10 MET O O 3.855 -12.261 -4.311 1.00 . A A . 10 MET O 1 1 14 2100 1 1 10 MET SD S 7.473 -11.515 0.382 1.00 . A A . 10 MET SD 1 1 15 2101 1 1 1 GLY C C -9.346 5.448 1.527 1.00 . A A . 1 GLY C 1 1 15 2102 1 1 1 GLY CA C -10.738 4.904 1.782 1.00 . A A . 1 GLY CA 1 1 15 2103 1 1 1 GLY H1 H -11.444 2.997 1.532 1.00 . A A . 1 GLY H1 1 1 15 2104 1 1 1 GLY H2 H -10.177 3.425 0.484 1.00 . A A . 1 GLY H2 1 1 15 2105 1 1 1 GLY H3 H -11.743 4.033 0.226 1.00 . A A . 1 GLY H3 1 1 15 2106 1 1 1 GLY HA2 H -11.466 5.691 1.584 1.00 . A A . 1 GLY HA2 1 1 15 2107 1 1 1 GLY HA3 H -10.814 4.608 2.828 1.00 . A A . 1 GLY HA3 1 1 15 2108 1 1 1 GLY N N -11.048 3.759 0.947 1.00 . A A . 1 GLY N 1 1 15 2109 1 1 1 GLY O O -9.182 6.453 0.837 1.00 . A A . 1 GLY O 1 1 15 2110 1 1 2 ASN C C -6.026 4.001 1.818 1.00 . A A . 2 ASN C 1 1 15 2111 1 1 2 ASN CA C -6.955 5.207 1.919 1.00 . A A . 2 ASN CA 1 1 15 2112 1 1 2 ASN CB C -6.527 6.099 3.086 1.00 . A A . 2 ASN CB 1 1 15 2113 1 1 2 ASN CG C -5.324 6.958 2.747 1.00 . A A . 2 ASN CG 1 1 15 2114 1 1 2 ASN H H -8.541 3.957 2.652 1.00 . A A . 2 ASN H 1 1 15 2115 1 1 2 ASN HA H -6.865 5.784 0.994 1.00 . A A . 2 ASN HA 1 1 15 2116 1 1 2 ASN HB2 H -7.358 6.754 3.343 1.00 . A A . 2 ASN HB2 1 1 15 2117 1 1 2 ASN HB3 H -6.292 5.472 3.949 1.00 . A A . 2 ASN HB3 1 1 15 2118 1 1 2 ASN HD21 H -4.532 6.649 4.608 1.00 . A A . 2 ASN HD21 1 1 15 2119 1 1 2 ASN HD22 H -3.581 7.663 3.519 1.00 . A A . 2 ASN HD22 1 1 15 2120 1 1 2 ASN N N -8.341 4.783 2.088 1.00 . A A . 2 ASN N 1 1 15 2121 1 1 2 ASN ND2 N -4.410 7.098 3.700 1.00 . A A . 2 ASN ND2 1 1 15 2122 1 1 2 ASN O O -6.120 3.064 2.611 1.00 . A A . 2 ASN O 1 1 15 2123 1 1 2 ASN OD1 O -5.218 7.488 1.641 1.00 . A A . 2 ASN OD1 1 1 15 2124 1 1 3 HIS C C -2.748 3.469 0.603 1.00 . A A . 3 HIS C 1 1 15 2125 1 1 3 HIS CA C -4.180 2.944 0.634 1.00 . A A . 3 HIS CA 1 1 15 2126 1 1 3 HIS CB C -4.495 2.206 -0.667 1.00 . A A . 3 HIS CB 1 1 15 2127 1 1 3 HIS CD2 C -5.857 3.769 -2.231 1.00 . A A . 3 HIS CD2 1 1 15 2128 1 1 3 HIS CE1 C -4.254 4.254 -3.639 1.00 . A A . 3 HIS CE1 1 1 15 2129 1 1 3 HIS CG C -4.725 3.119 -1.839 1.00 . A A . 3 HIS CG 1 1 15 2130 1 1 3 HIS H H -5.100 4.839 0.216 1.00 . A A . 3 HIS H 1 1 15 2131 1 1 3 HIS HA H -4.254 2.232 1.461 1.00 . A A . 3 HIS HA 1 1 15 2132 1 1 3 HIS HB2 H -3.663 1.550 -0.904 1.00 . A A . 3 HIS HB2 1 1 15 2133 1 1 3 HIS HB3 H -5.388 1.598 -0.515 1.00 . A A . 3 HIS HB3 1 1 15 2134 1 1 3 HIS HD1 H -2.758 3.108 -2.719 1.00 . A A . 3 HIS HD1 1 1 15 2135 1 1 3 HIS HD2 H -6.748 3.902 -1.634 1.00 . A A . 3 HIS HD2 1 1 15 2136 1 1 3 HIS HE1 H -3.715 4.675 -4.476 1.00 . A A . 3 HIS HE1 1 1 15 2137 1 1 3 HIS N N -5.128 4.033 0.839 1.00 . A A . 3 HIS N 1 1 15 2138 1 1 3 HIS ND1 N -3.723 3.438 -2.741 1.00 . A A . 3 HIS ND1 1 1 15 2139 1 1 3 HIS NE2 N -5.541 4.482 -3.372 1.00 . A A . 3 HIS NE2 1 1 15 2140 1 1 3 HIS O O -2.127 3.544 -0.457 1.00 . A A . 3 HIS O 1 1 15 2141 1 1 4 TRP C C 0.125 3.403 1.218 1.00 . A A . 4 TRP C 1 1 15 2142 1 1 4 TRP CA C -0.872 4.351 1.877 1.00 . A A . 4 TRP CA 1 1 15 2143 1 1 4 TRP CB C -0.499 4.564 3.345 1.00 . A A . 4 TRP CB 1 1 15 2144 1 1 4 TRP CD1 C -1.457 6.404 4.850 1.00 . A A . 4 TRP CD1 1 1 15 2145 1 1 4 TRP CD2 C -0.092 7.150 3.238 1.00 . A A . 4 TRP CD2 1 1 15 2146 1 1 4 TRP CE2 C -0.546 8.252 3.987 1.00 . A A . 4 TRP CE2 1 1 15 2147 1 1 4 TRP CE3 C 0.780 7.375 2.169 1.00 . A A . 4 TRP CE3 1 1 15 2148 1 1 4 TRP CG C -0.686 5.977 3.805 1.00 . A A . 4 TRP CG 1 1 15 2149 1 1 4 TRP CH2 C 0.697 9.750 2.649 1.00 . A A . 4 TRP CH2 1 1 15 2150 1 1 4 TRP CZ2 C -0.157 9.558 3.700 1.00 . A A . 4 TRP CZ2 1 1 15 2151 1 1 4 TRP CZ3 C 1.165 8.672 1.886 1.00 . A A . 4 TRP CZ3 1 1 15 2152 1 1 4 TRP H H -2.797 3.744 2.615 1.00 . A A . 4 TRP H 1 1 15 2153 1 1 4 TRP HA H -0.830 5.308 1.357 1.00 . A A . 4 TRP HA 1 1 15 2154 1 1 4 TRP HB2 H -1.134 3.924 3.955 1.00 . A A . 4 TRP HB2 1 1 15 2155 1 1 4 TRP HB3 H 0.545 4.281 3.514 1.00 . A A . 4 TRP HB3 1 1 15 2156 1 1 4 TRP HD1 H -2.043 5.762 5.491 1.00 . A A . 4 TRP HD1 1 1 15 2157 1 1 4 TRP HE1 H -1.854 8.346 5.659 1.00 . A A . 4 TRP HE1 1 1 15 2158 1 1 4 TRP HE3 H 1.147 6.550 1.579 1.00 . A A . 4 TRP HE3 1 1 15 2159 1 1 4 TRP HH2 H 1.015 10.753 2.404 1.00 . A A . 4 TRP HH2 1 1 15 2160 1 1 4 TRP HZ2 H -0.516 10.391 4.287 1.00 . A A . 4 TRP HZ2 1 1 15 2161 1 1 4 TRP HZ3 H 1.839 8.852 1.061 1.00 . A A . 4 TRP HZ3 1 1 15 2162 1 1 4 TRP N N -2.231 3.832 1.771 1.00 . A A . 4 TRP N 1 1 15 2163 1 1 4 TRP NE1 N -1.377 7.771 4.964 1.00 . A A . 4 TRP NE1 1 1 15 2164 1 1 4 TRP O O 0.637 3.683 0.135 1.00 . A A . 4 TRP O 1 1 15 2165 1 1 5 ALA C C 0.621 -0.020 1.043 1.00 . A A . 5 ALA C 1 1 15 2166 1 1 5 ALA CA C 1.330 1.294 1.356 1.00 . A A . 5 ALA CA 1 1 15 2167 1 1 5 ALA CB C 2.461 1.062 2.346 1.00 . A A . 5 ALA CB 1 1 15 2168 1 1 5 ALA H H -0.058 2.111 2.776 1.00 . A A . 5 ALA H 1 1 15 2169 1 1 5 ALA HA H 1.773 1.661 0.427 1.00 . A A . 5 ALA HA 1 1 15 2170 1 1 5 ALA HB1 H 2.904 2.018 2.623 1.00 . A A . 5 ALA HB1 1 1 15 2171 1 1 5 ALA HB2 H 3.223 0.428 1.892 1.00 . A A . 5 ALA HB2 1 1 15 2172 1 1 5 ALA HB3 H 2.063 0.574 3.237 1.00 . A A . 5 ALA HB3 1 1 15 2173 1 1 5 ALA N N 0.396 2.283 1.879 1.00 . A A . 5 ALA N 1 1 15 2174 1 1 5 ALA O O 0.474 -0.880 1.910 1.00 . A A . 5 ALA O 1 1 15 2175 1 1 6 VAL C C 0.180 -2.010 -1.831 1.00 . A A . 6 VAL C 1 1 15 2176 1 1 6 VAL CA C -0.513 -1.376 -0.634 1.00 . A A . 6 VAL CA 1 1 15 2177 1 1 6 VAL CB C -1.979 -1.081 -0.996 1.00 . A A . 6 VAL CB 1 1 15 2178 1 1 6 VAL CG1 C -2.055 -0.151 -2.198 1.00 . A A . 6 VAL CG1 1 1 15 2179 1 1 6 VAL CG2 C -2.731 -2.376 -1.267 1.00 . A A . 6 VAL CG2 1 1 15 2180 1 1 6 VAL H H 0.337 0.583 -0.878 1.00 . A A . 6 VAL H 1 1 15 2181 1 1 6 VAL HA H -0.509 -2.109 0.177 1.00 . A A . 6 VAL HA 1 1 15 2182 1 1 6 VAL HB H -2.447 -0.581 -0.147 1.00 . A A . 6 VAL HB 1 1 15 2183 1 1 6 VAL HG11 H -3.096 -0.034 -2.495 1.00 . A A . 6 VAL HG11 1 1 15 2184 1 1 6 VAL HG12 H -1.498 -0.571 -3.034 1.00 . A A . 6 VAL HG12 1 1 15 2185 1 1 6 VAL HG13 H -1.642 0.824 -1.939 1.00 . A A . 6 VAL HG13 1 1 15 2186 1 1 6 VAL HG21 H -2.629 -3.045 -0.412 1.00 . A A . 6 VAL HG21 1 1 15 2187 1 1 6 VAL HG22 H -2.314 -2.853 -2.154 1.00 . A A . 6 VAL HG22 1 1 15 2188 1 1 6 VAL HG23 H -3.787 -2.158 -1.434 1.00 . A A . 6 VAL HG23 1 1 15 2189 1 1 6 VAL N N 0.181 -0.166 -0.203 1.00 . A A . 6 VAL N 1 1 15 2190 1 1 6 VAL O O 0.760 -1.317 -2.667 1.00 . A A . 6 VAL O 1 1 15 2191 1 1 7 GLY C C 2.161 -4.471 -2.699 1.00 . A A . 7 GLY C 1 1 15 2192 1 1 7 GLY CA C 0.741 -4.043 -3.015 1.00 . A A . 7 GLY CA 1 1 15 2193 1 1 7 GLY H H -0.379 -3.858 -1.193 1.00 . A A . 7 GLY H 1 1 15 2194 1 1 7 GLY HA2 H 0.152 -4.935 -3.228 1.00 . A A . 7 GLY HA2 1 1 15 2195 1 1 7 GLY HA3 H 0.750 -3.410 -3.905 1.00 . A A . 7 GLY HA3 1 1 15 2196 1 1 7 GLY N N 0.117 -3.335 -1.913 1.00 . A A . 7 GLY N 1 1 15 2197 1 1 7 GLY O O 3.114 -3.973 -3.298 1.00 . A A . 7 GLY O 1 1 15 2198 1 1 8 HIS C C 3.756 -7.374 -1.672 1.00 . A A . 8 HIS C 1 1 15 2199 1 1 8 HIS CA C 3.617 -5.888 -1.358 1.00 . A A . 8 HIS CA 1 1 15 2200 1 1 8 HIS CB C 3.847 -5.645 0.136 1.00 . A A . 8 HIS CB 1 1 15 2201 1 1 8 HIS CD2 C 3.311 -3.634 1.690 1.00 . A A . 8 HIS CD2 1 1 15 2202 1 1 8 HIS CE1 C 3.894 -2.032 0.317 1.00 . A A . 8 HIS CE1 1 1 15 2203 1 1 8 HIS CG C 3.744 -4.197 0.526 1.00 . A A . 8 HIS CG 1 1 15 2204 1 1 8 HIS H H 1.472 -5.769 -1.295 1.00 . A A . 8 HIS H 1 1 15 2205 1 1 8 HIS HA H 4.396 -5.352 -1.906 1.00 . A A . 8 HIS HA 1 1 15 2206 1 1 8 HIS HB2 H 3.103 -6.210 0.695 1.00 . A A . 8 HIS HB2 1 1 15 2207 1 1 8 HIS HB3 H 4.840 -6.010 0.401 1.00 . A A . 8 HIS HB3 1 1 15 2208 1 1 8 HIS HD1 H 4.472 -3.267 -1.276 1.00 . A A . 8 HIS HD1 1 1 15 2209 1 1 8 HIS HD2 H 3.159 -4.155 2.624 1.00 . A A . 8 HIS HD2 1 1 15 2210 1 1 8 HIS HE1 H 4.085 -1.051 -0.095 1.00 . A A . 8 HIS HE1 1 1 15 2211 1 1 8 HIS N N 2.302 -5.394 -1.754 1.00 . A A . 8 HIS N 1 1 15 2212 1 1 8 HIS ND1 N 4.107 -3.169 -0.329 1.00 . A A . 8 HIS ND1 1 1 15 2213 1 1 8 HIS NE2 N 3.413 -2.262 1.541 1.00 . A A . 8 HIS NE2 1 1 15 2214 1 1 8 HIS O O 4.055 -8.180 -0.789 1.00 . A A . 8 HIS O 1 1 15 2215 1 1 9 LEU C C 5.005 -9.401 -3.983 1.00 . A A . 9 LEU C 1 1 15 2216 1 1 9 LEU CA C 3.640 -9.120 -3.363 1.00 . A A . 9 LEU CA 1 1 15 2217 1 1 9 LEU CB C 2.534 -9.445 -4.369 1.00 . A A . 9 LEU CB 1 1 15 2218 1 1 9 LEU CD1 C 0.566 -8.546 -3.105 1.00 . A A . 9 LEU CD1 1 1 15 2219 1 1 9 LEU CD2 C 0.229 -10.299 -4.856 1.00 . A A . 9 LEU CD2 1 1 15 2220 1 1 9 LEU CG C 1.163 -9.772 -3.778 1.00 . A A . 9 LEU CG 1 1 15 2221 1 1 9 LEU H H 3.297 -7.016 -3.619 1.00 . A A . 9 LEU H 1 1 15 2222 1 1 9 LEU HA H 3.507 -9.779 -2.501 1.00 . A A . 9 LEU HA 1 1 15 2223 1 1 9 LEU HB2 H 2.409 -8.579 -5.017 1.00 . A A . 9 LEU HB2 1 1 15 2224 1 1 9 LEU HB3 H 2.851 -10.293 -4.985 1.00 . A A . 9 LEU HB3 1 1 15 2225 1 1 9 LEU HD11 H 0.519 -7.733 -3.829 1.00 . A A . 9 LEU HD11 1 1 15 2226 1 1 9 LEU HD12 H 1.187 -8.245 -2.260 1.00 . A A . 9 LEU HD12 1 1 15 2227 1 1 9 LEU HD13 H -0.439 -8.776 -2.753 1.00 . A A . 9 LEU HD13 1 1 15 2228 1 1 9 LEU HD21 H 0.076 -9.523 -5.605 1.00 . A A . 9 LEU HD21 1 1 15 2229 1 1 9 LEU HD22 H -0.729 -10.568 -4.410 1.00 . A A . 9 LEU HD22 1 1 15 2230 1 1 9 LEU HD23 H 0.669 -11.177 -5.328 1.00 . A A . 9 LEU HD23 1 1 15 2231 1 1 9 LEU HG H 1.298 -10.548 -3.024 1.00 . A A . 9 LEU HG 1 1 15 2232 1 1 9 LEU N N 3.539 -7.730 -2.933 1.00 . A A . 9 LEU N 1 1 15 2233 1 1 9 LEU O O 5.255 -9.062 -5.140 1.00 . A A . 9 LEU O 1 1 15 2234 1 1 10 MET C C 7.160 -11.258 -4.906 1.00 . A A . 10 MET C 1 1 15 2235 1 1 10 MET CA C 7.225 -10.353 -3.680 1.00 . A A . 10 MET CA 1 1 15 2236 1 1 10 MET CB C 8.028 -11.035 -2.571 1.00 . A A . 10 MET CB 1 1 15 2237 1 1 10 MET CE C 7.131 -14.331 -0.172 1.00 . A A . 10 MET CE 1 1 15 2238 1 1 10 MET CG C 7.385 -12.308 -2.049 1.00 . A A . 10 MET CG 1 1 15 2239 1 1 10 MET H H 5.614 -10.287 -2.258 1.00 . A A . 10 MET H 1 1 15 2240 1 1 10 MET HA H 7.727 -9.428 -3.960 1.00 . A A . 10 MET HA 1 1 15 2241 1 1 10 MET HB2 H 9.017 -11.282 -2.957 1.00 . A A . 10 MET HB2 1 1 15 2242 1 1 10 MET HB3 H 8.138 -10.338 -1.740 1.00 . A A . 10 MET HB3 1 1 15 2243 1 1 10 MET HE1 H 7.109 -14.972 -1.053 1.00 . A A . 10 MET HE1 1 1 15 2244 1 1 10 MET HE2 H 6.117 -14.015 0.073 1.00 . A A . 10 MET HE2 1 1 15 2245 1 1 10 MET HE3 H 7.554 -14.882 0.668 1.00 . A A . 10 MET HE3 1 1 15 2246 1 1 10 MET HG2 H 6.329 -12.116 -1.869 1.00 . A A . 10 MET HG2 1 1 15 2247 1 1 10 MET HG3 H 7.482 -13.086 -2.807 1.00 . A A . 10 MET HG3 1 1 15 2248 1 1 10 MET N N 5.885 -10.024 -3.206 1.00 . A A . 10 MET N 1 1 15 2249 1 1 10 MET O O 6.067 -11.678 -5.250 1.00 . A A . 10 MET O 1 1 15 2250 1 1 10 MET SD S 8.135 -12.888 -0.516 1.00 . A A . 10 MET SD 1 1 16 2251 1 1 1 GLY C C -8.878 4.604 3.056 1.00 . A A . 1 GLY C 1 1 16 2252 1 1 1 GLY CA C -10.183 3.923 3.417 1.00 . A A . 1 GLY CA 1 1 16 2253 1 1 1 GLY H1 H -9.587 2.366 2.230 1.00 . A A . 1 GLY H1 1 1 16 2254 1 1 1 GLY H2 H -11.169 2.223 2.836 1.00 . A A . 1 GLY H2 1 1 16 2255 1 1 1 GLY H3 H -9.835 1.953 3.854 1.00 . A A . 1 GLY H3 1 1 16 2256 1 1 1 GLY HA2 H -10.998 4.426 2.897 1.00 . A A . 1 GLY HA2 1 1 16 2257 1 1 1 GLY HA3 H -10.342 4.013 4.492 1.00 . A A . 1 GLY HA3 1 1 16 2258 1 1 1 GLY N N -10.194 2.516 3.059 1.00 . A A . 1 GLY N 1 1 16 2259 1 1 1 GLY O O -8.862 5.554 2.276 1.00 . A A . 1 GLY O 1 1 16 2260 1 1 2 ASN C C -5.664 3.791 2.418 1.00 . A A . 2 ASN C 1 1 16 2261 1 1 2 ASN CA C -6.465 4.687 3.361 1.00 . A A . 2 ASN CA 1 1 16 2262 1 1 2 ASN CB C -5.697 4.882 4.670 1.00 . A A . 2 ASN CB 1 1 16 2263 1 1 2 ASN CG C -5.645 3.616 5.505 1.00 . A A . 2 ASN CG 1 1 16 2264 1 1 2 ASN H H -7.861 3.327 4.266 1.00 . A A . 2 ASN H 1 1 16 2265 1 1 2 ASN HA H -6.580 5.664 2.883 1.00 . A A . 2 ASN HA 1 1 16 2266 1 1 2 ASN HB2 H -4.676 5.184 4.438 1.00 . A A . 2 ASN HB2 1 1 16 2267 1 1 2 ASN HB3 H -6.178 5.673 5.247 1.00 . A A . 2 ASN HB3 1 1 16 2268 1 1 2 ASN HD21 H -7.489 4.019 6.297 1.00 . A A . 2 ASN HD21 1 1 16 2269 1 1 2 ASN HD22 H -6.715 2.531 6.850 1.00 . A A . 2 ASN HD22 1 1 16 2270 1 1 2 ASN N N -7.781 4.116 3.626 1.00 . A A . 2 ASN N 1 1 16 2271 1 1 2 ASN ND2 N -6.700 3.373 6.275 1.00 . A A . 2 ASN ND2 1 1 16 2272 1 1 2 ASN O O -5.625 2.572 2.587 1.00 . A A . 2 ASN O 1 1 16 2273 1 1 2 ASN OD1 O -4.670 2.868 5.457 1.00 . A A . 2 ASN OD1 1 1 16 2274 1 1 3 HIS C C -2.778 4.144 0.472 1.00 . A A . 3 HIS C 1 1 16 2275 1 1 3 HIS CA C -4.226 3.665 0.458 1.00 . A A . 3 HIS CA 1 1 16 2276 1 1 3 HIS CB C -4.813 3.818 -0.944 1.00 . A A . 3 HIS CB 1 1 16 2277 1 1 3 HIS CD2 C -6.576 1.912 -0.872 1.00 . A A . 3 HIS CD2 1 1 16 2278 1 1 3 HIS CE1 C -8.295 3.066 -1.579 1.00 . A A . 3 HIS CE1 1 1 16 2279 1 1 3 HIS CG C -6.171 3.192 -1.106 1.00 . A A . 3 HIS CG 1 1 16 2280 1 1 3 HIS H H -5.097 5.419 1.340 1.00 . A A . 3 HIS H 1 1 16 2281 1 1 3 HIS HA H -4.233 2.601 0.704 1.00 . A A . 3 HIS HA 1 1 16 2282 1 1 3 HIS HB2 H -4.899 4.882 -1.163 1.00 . A A . 3 HIS HB2 1 1 16 2283 1 1 3 HIS HB3 H -4.128 3.366 -1.662 1.00 . A A . 3 HIS HB3 1 1 16 2284 1 1 3 HIS HD1 H -7.290 4.893 -1.810 1.00 . A A . 3 HIS HD1 1 1 16 2285 1 1 3 HIS HD2 H -5.927 1.062 -0.720 1.00 . A A . 3 HIS HD2 1 1 16 2286 1 1 3 HIS HE1 H -9.294 3.333 -1.888 1.00 . A A . 3 HIS HE1 1 1 16 2287 1 1 3 HIS N N -5.027 4.406 1.427 1.00 . A A . 3 HIS N 1 1 16 2288 1 1 3 HIS ND1 N -7.271 3.907 -1.552 1.00 . A A . 3 HIS ND1 1 1 16 2289 1 1 3 HIS NE2 N -7.923 1.851 -1.177 1.00 . A A . 3 HIS NE2 1 1 16 2290 1 1 3 HIS O O -2.295 4.720 -0.503 1.00 . A A . 3 HIS O 1 1 16 2291 1 1 4 TRP C C 0.237 3.277 1.101 1.00 . A A . 4 TRP C 1 1 16 2292 1 1 4 TRP CA C -0.698 4.309 1.723 1.00 . A A . 4 TRP CA 1 1 16 2293 1 1 4 TRP CB C -0.348 4.507 3.199 1.00 . A A . 4 TRP CB 1 1 16 2294 1 1 4 TRP CD1 C -0.567 6.616 4.637 1.00 . A A . 4 TRP CD1 1 1 16 2295 1 1 4 TRP CD2 C 0.747 6.859 2.840 1.00 . A A . 4 TRP CD2 1 1 16 2296 1 1 4 TRP CE2 C 0.711 8.081 3.539 1.00 . A A . 4 TRP CE2 1 1 16 2297 1 1 4 TRP CE3 C 1.512 6.773 1.674 1.00 . A A . 4 TRP CE3 1 1 16 2298 1 1 4 TRP CG C -0.077 5.936 3.559 1.00 . A A . 4 TRP CG 1 1 16 2299 1 1 4 TRP CH2 C 2.152 9.093 1.965 1.00 . A A . 4 TRP CH2 1 1 16 2300 1 1 4 TRP CZ2 C 1.411 9.206 3.109 1.00 . A A . 4 TRP CZ2 1 1 16 2301 1 1 4 TRP CZ3 C 2.206 7.889 1.248 1.00 . A A . 4 TRP CZ3 1 1 16 2302 1 1 4 TRP H H -2.545 3.416 2.355 1.00 . A A . 4 TRP H 1 1 16 2303 1 1 4 TRP HA H -0.575 5.253 1.196 1.00 . A A . 4 TRP HA 1 1 16 2304 1 1 4 TRP HB2 H -1.190 4.166 3.800 1.00 . A A . 4 TRP HB2 1 1 16 2305 1 1 4 TRP HB3 H 0.530 3.910 3.465 1.00 . A A . 4 TRP HB3 1 1 16 2306 1 1 4 TRP HD1 H -1.227 6.200 5.385 1.00 . A A . 4 TRP HD1 1 1 16 2307 1 1 4 TRP HE1 H -0.309 8.628 5.321 1.00 . A A . 4 TRP HE1 1 1 16 2308 1 1 4 TRP HE3 H 1.576 5.850 1.121 1.00 . A A . 4 TRP HE3 1 1 16 2309 1 1 4 TRP HH2 H 2.704 9.950 1.608 1.00 . A A . 4 TRP HH2 1 1 16 2310 1 1 4 TRP HZ2 H 1.370 10.135 3.658 1.00 . A A . 4 TRP HZ2 1 1 16 2311 1 1 4 TRP HZ3 H 2.799 7.829 0.347 1.00 . A A . 4 TRP HZ3 1 1 16 2312 1 1 4 TRP N N -2.091 3.902 1.583 1.00 . A A . 4 TRP N 1 1 16 2313 1 1 4 TRP NE1 N -0.097 7.907 4.632 1.00 . A A . 4 TRP NE1 1 1 16 2314 1 1 4 TRP O O 0.869 3.537 0.077 1.00 . A A . 4 TRP O 1 1 16 2315 1 1 5 ALA C C 0.392 -0.264 1.074 1.00 . A A . 5 ALA C 1 1 16 2316 1 1 5 ALA CA C 1.174 1.035 1.230 1.00 . A A . 5 ALA CA 1 1 16 2317 1 1 5 ALA CB C 2.359 0.833 2.162 1.00 . A A . 5 ALA CB 1 1 16 2318 1 1 5 ALA H H -0.230 1.955 2.572 1.00 . A A . 5 ALA H 1 1 16 2319 1 1 5 ALA HA H 1.566 1.303 0.246 1.00 . A A . 5 ALA HA 1 1 16 2320 1 1 5 ALA HB1 H 2.884 -0.086 1.901 1.00 . A A . 5 ALA HB1 1 1 16 2321 1 1 5 ALA HB2 H 1.999 0.768 3.188 1.00 . A A . 5 ALA HB2 1 1 16 2322 1 1 5 ALA HB3 H 3.042 1.678 2.072 1.00 . A A . 5 ALA HB3 1 1 16 2323 1 1 5 ALA N N 0.318 2.107 1.725 1.00 . A A . 5 ALA N 1 1 16 2324 1 1 5 ALA O O 0.072 -0.929 2.059 1.00 . A A . 5 ALA O 1 1 16 2325 1 1 6 VAL C C -0.223 -2.454 -1.779 1.00 . A A . 6 VAL C 1 1 16 2326 1 1 6 VAL CA C -0.660 -1.843 -0.454 1.00 . A A . 6 VAL CA 1 1 16 2327 1 1 6 VAL CB C -2.173 -1.576 -0.495 1.00 . A A . 6 VAL CB 1 1 16 2328 1 1 6 VAL CG1 C -2.935 -2.866 -0.769 1.00 . A A . 6 VAL CG1 1 1 16 2329 1 1 6 VAL CG2 C -2.641 -0.939 0.804 1.00 . A A . 6 VAL CG2 1 1 16 2330 1 1 6 VAL H H 0.382 -0.030 -0.946 1.00 . A A . 6 VAL H 1 1 16 2331 1 1 6 VAL HA H -0.470 -2.573 0.336 1.00 . A A . 6 VAL HA 1 1 16 2332 1 1 6 VAL HB H -2.373 -0.883 -1.314 1.00 . A A . 6 VAL HB 1 1 16 2333 1 1 6 VAL HG11 H -2.749 -3.197 -1.791 1.00 . A A . 6 VAL HG11 1 1 16 2334 1 1 6 VAL HG12 H -4.003 -2.698 -0.633 1.00 . A A . 6 VAL HG12 1 1 16 2335 1 1 6 VAL HG13 H -2.596 -3.633 -0.073 1.00 . A A . 6 VAL HG13 1 1 16 2336 1 1 6 VAL HG21 H -2.312 -1.556 1.641 1.00 . A A . 6 VAL HG21 1 1 16 2337 1 1 6 VAL HG22 H -3.728 -0.869 0.810 1.00 . A A . 6 VAL HG22 1 1 16 2338 1 1 6 VAL HG23 H -2.215 0.059 0.900 1.00 . A A . 6 VAL HG23 1 1 16 2339 1 1 6 VAL N N 0.086 -0.621 -0.170 1.00 . A A . 6 VAL N 1 1 16 2340 1 1 6 VAL O O -0.204 -1.782 -2.810 1.00 . A A . 6 VAL O 1 1 16 2341 1 1 7 GLY C C 2.027 -4.780 -2.922 1.00 . A A . 7 GLY C 1 1 16 2342 1 1 7 GLY CA C 0.555 -4.421 -2.953 1.00 . A A . 7 GLY CA 1 1 16 2343 1 1 7 GLY H H 0.086 -4.246 -0.865 1.00 . A A . 7 GLY H 1 1 16 2344 1 1 7 GLY HA2 H -0.018 -5.343 -3.044 1.00 . A A . 7 GLY HA2 1 1 16 2345 1 1 7 GLY HA3 H 0.362 -3.805 -3.835 1.00 . A A . 7 GLY HA3 1 1 16 2346 1 1 7 GLY N N 0.125 -3.737 -1.747 1.00 . A A . 7 GLY N 1 1 16 2347 1 1 7 GLY O O 2.676 -4.860 -3.966 1.00 . A A . 7 GLY O 1 1 16 2348 1 1 8 HIS C C 4.126 -6.850 -1.342 1.00 . A A . 8 HIS C 1 1 16 2349 1 1 8 HIS CA C 3.963 -5.349 -1.560 1.00 . A A . 8 HIS CA 1 1 16 2350 1 1 8 HIS CB C 4.572 -4.582 -0.385 1.00 . A A . 8 HIS CB 1 1 16 2351 1 1 8 HIS CD2 C 5.650 -2.381 -1.243 1.00 . A A . 8 HIS CD2 1 1 16 2352 1 1 8 HIS CE1 C 4.097 -0.999 -0.558 1.00 . A A . 8 HIS CE1 1 1 16 2353 1 1 8 HIS CG C 4.674 -3.100 -0.621 1.00 . A A . 8 HIS CG 1 1 16 2354 1 1 8 HIS H H 1.967 -4.918 -0.894 1.00 . A A . 8 HIS H 1 1 16 2355 1 1 8 HIS HA H 4.515 -5.069 -2.460 1.00 . A A . 8 HIS HA 1 1 16 2356 1 1 8 HIS HB2 H 3.945 -4.743 0.491 1.00 . A A . 8 HIS HB2 1 1 16 2357 1 1 8 HIS HB3 H 5.568 -4.977 -0.182 1.00 . A A . 8 HIS HB3 1 1 16 2358 1 1 8 HIS HD1 H 2.844 -2.442 0.305 1.00 . A A . 8 HIS HD1 1 1 16 2359 1 1 8 HIS HD2 H 6.634 -2.744 -1.499 1.00 . A A . 8 HIS HD2 1 1 16 2360 1 1 8 HIS HE1 H 3.541 -0.093 -0.368 1.00 . A A . 8 HIS HE1 1 1 16 2361 1 1 8 HIS N N 2.557 -4.996 -1.722 1.00 . A A . 8 HIS N 1 1 16 2362 1 1 8 HIS ND1 N 3.702 -2.211 -0.195 1.00 . A A . 8 HIS ND1 1 1 16 2363 1 1 8 HIS NE2 N 5.269 -1.052 -1.195 1.00 . A A . 8 HIS NE2 1 1 16 2364 1 1 8 HIS O O 5.030 -7.290 -0.631 1.00 . A A . 8 HIS O 1 1 16 2365 1 1 9 LEU C C 4.539 -9.650 -2.494 1.00 . A A . 9 LEU C 1 1 16 2366 1 1 9 LEU CA C 3.289 -9.084 -1.829 1.00 . A A . 9 LEU CA 1 1 16 2367 1 1 9 LEU CB C 2.039 -9.709 -2.450 1.00 . A A . 9 LEU CB 1 1 16 2368 1 1 9 LEU CD1 C 2.642 -12.098 -1.990 1.00 . A A . 9 LEU CD1 1 1 16 2369 1 1 9 LEU CD2 C 1.215 -10.836 -0.368 1.00 . A A . 9 LEU CD2 1 1 16 2370 1 1 9 LEU CG C 1.572 -11.029 -1.835 1.00 . A A . 9 LEU CG 1 1 16 2371 1 1 9 LEU H H 2.519 -7.206 -2.535 1.00 . A A . 9 LEU H 1 1 16 2372 1 1 9 LEU HA H 3.314 -9.333 -0.775 1.00 . A A . 9 LEU HA 1 1 16 2373 1 1 9 LEU HB2 H 1.227 -8.991 -2.349 1.00 . A A . 9 LEU HB2 1 1 16 2374 1 1 9 LEU HB3 H 2.218 -9.869 -3.517 1.00 . A A . 9 LEU HB3 1 1 16 2375 1 1 9 LEU HD11 H 2.922 -12.182 -3.039 1.00 . A A . 9 LEU HD11 1 1 16 2376 1 1 9 LEU HD12 H 2.254 -13.055 -1.641 1.00 . A A . 9 LEU HD12 1 1 16 2377 1 1 9 LEU HD13 H 3.518 -11.825 -1.403 1.00 . A A . 9 LEU HD13 1 1 16 2378 1 1 9 LEU HD21 H 2.095 -10.978 0.261 1.00 . A A . 9 LEU HD21 1 1 16 2379 1 1 9 LEU HD22 H 0.459 -11.570 -0.081 1.00 . A A . 9 LEU HD22 1 1 16 2380 1 1 9 LEU HD23 H 0.814 -9.834 -0.206 1.00 . A A . 9 LEU HD23 1 1 16 2381 1 1 9 LEU HG H 0.682 -11.364 -2.373 1.00 . A A . 9 LEU HG 1 1 16 2382 1 1 9 LEU N N 3.244 -7.631 -1.957 1.00 . A A . 9 LEU N 1 1 16 2383 1 1 9 LEU O O 4.602 -9.772 -3.718 1.00 . A A . 9 LEU O 1 1 16 2384 1 1 10 MET C C 6.758 -12.078 -2.130 1.00 . A A . 10 MET C 1 1 16 2385 1 1 10 MET CA C 6.778 -10.554 -2.193 1.00 . A A . 10 MET CA 1 1 16 2386 1 1 10 MET CB C 7.967 -10.016 -1.394 1.00 . A A . 10 MET CB 1 1 16 2387 1 1 10 MET CE C 10.019 -12.083 -3.796 1.00 . A A . 10 MET CE 1 1 16 2388 1 1 10 MET CG C 9.258 -9.953 -2.195 1.00 . A A . 10 MET CG 1 1 16 2389 1 1 10 MET H H 5.417 -9.878 -0.675 1.00 . A A . 10 MET H 1 1 16 2390 1 1 10 MET HA H 6.889 -10.257 -3.236 1.00 . A A . 10 MET HA 1 1 16 2391 1 1 10 MET HB2 H 7.714 -9.011 -1.051 1.00 . A A . 10 MET HB2 1 1 16 2392 1 1 10 MET HB3 H 8.132 -10.647 -0.518 1.00 . A A . 10 MET HB3 1 1 16 2393 1 1 10 MET HE1 H 8.966 -12.271 -4.004 1.00 . A A . 10 MET HE1 1 1 16 2394 1 1 10 MET HE2 H 10.395 -11.326 -4.485 1.00 . A A . 10 MET HE2 1 1 16 2395 1 1 10 MET HE3 H 10.586 -13.005 -3.925 1.00 . A A . 10 MET HE3 1 1 16 2396 1 1 10 MET HG2 H 9.039 -9.731 -3.237 1.00 . A A . 10 MET HG2 1 1 16 2397 1 1 10 MET HG3 H 9.882 -9.147 -1.798 1.00 . A A . 10 MET HG3 1 1 16 2398 1 1 10 MET N N 5.531 -9.997 -1.681 1.00 . A A . 10 MET N 1 1 16 2399 1 1 10 MET O O 7.756 -12.652 -1.729 1.00 . A A . 10 MET O 1 1 16 2400 1 1 10 MET SD S 10.199 -11.489 -2.116 1.00 . A A . 10 MET SD 1 1 17 2401 1 1 1 GLY C C -8.776 4.229 3.534 1.00 . A A . 1 GLY C 1 1 17 2402 1 1 1 GLY CA C -9.642 3.531 4.562 1.00 . A A . 1 GLY CA 1 1 17 2403 1 1 1 GLY H1 H -11.542 4.241 4.849 1.00 . A A . 1 GLY H1 1 1 17 2404 1 1 1 GLY H2 H -11.464 2.623 4.335 1.00 . A A . 1 GLY H2 1 1 17 2405 1 1 1 GLY H3 H -11.160 3.884 3.236 1.00 . A A . 1 GLY H3 1 1 17 2406 1 1 1 GLY HA2 H -9.498 4.013 5.528 1.00 . A A . 1 GLY HA2 1 1 17 2407 1 1 1 GLY HA3 H -9.330 2.489 4.636 1.00 . A A . 1 GLY HA3 1 1 17 2408 1 1 1 GLY N N -11.052 3.573 4.222 1.00 . A A . 1 GLY N 1 1 17 2409 1 1 1 GLY O O -9.285 4.814 2.578 1.00 . A A . 1 GLY O 1 1 17 2410 1 1 2 ASN C C -5.713 3.761 2.054 1.00 . A A . 2 ASN C 1 1 17 2411 1 1 2 ASN CA C -6.524 4.807 2.812 1.00 . A A . 2 ASN CA 1 1 17 2412 1 1 2 ASN CB C -5.584 5.741 3.576 1.00 . A A . 2 ASN CB 1 1 17 2413 1 1 2 ASN CG C -4.734 5.003 4.592 1.00 . A A . 2 ASN CG 1 1 17 2414 1 1 2 ASN H H -7.103 3.673 4.544 1.00 . A A . 2 ASN H 1 1 17 2415 1 1 2 ASN HA H -7.073 5.401 2.077 1.00 . A A . 2 ASN HA 1 1 17 2416 1 1 2 ASN HB2 H -4.922 6.233 2.864 1.00 . A A . 2 ASN HB2 1 1 17 2417 1 1 2 ASN HB3 H -6.179 6.498 4.087 1.00 . A A . 2 ASN HB3 1 1 17 2418 1 1 2 ASN HD21 H -5.490 6.147 6.111 1.00 . A A . 2 ASN HD21 1 1 17 2419 1 1 2 ASN HD22 H -4.311 4.916 6.578 1.00 . A A . 2 ASN HD22 1 1 17 2420 1 1 2 ASN N N -7.463 4.171 3.730 1.00 . A A . 2 ASN N 1 1 17 2421 1 1 2 ASN ND2 N -4.858 5.387 5.857 1.00 . A A . 2 ASN ND2 1 1 17 2422 1 1 2 ASN O O -5.780 2.568 2.355 1.00 . A A . 2 ASN O 1 1 17 2423 1 1 2 ASN OD1 O -3.976 4.098 4.242 1.00 . A A . 2 ASN OD1 1 1 17 2424 1 1 3 HIS C C -2.645 3.702 0.369 1.00 . A A . 3 HIS C 1 1 17 2425 1 1 3 HIS CA C -4.119 3.318 0.268 1.00 . A A . 3 HIS CA 1 1 17 2426 1 1 3 HIS CB C -4.567 3.349 -1.195 1.00 . A A . 3 HIS CB 1 1 17 2427 1 1 3 HIS CD2 C -7.065 3.405 -1.901 1.00 . A A . 3 HIS CD2 1 1 17 2428 1 1 3 HIS CE1 C -7.563 1.331 -1.403 1.00 . A A . 3 HIS CE1 1 1 17 2429 1 1 3 HIS CG C -5.950 2.797 -1.407 1.00 . A A . 3 HIS CG 1 1 17 2430 1 1 3 HIS H H -4.932 5.214 0.864 1.00 . A A . 3 HIS H 1 1 17 2431 1 1 3 HIS HA H -4.226 2.292 0.628 1.00 . A A . 3 HIS HA 1 1 17 2432 1 1 3 HIS HB2 H -4.547 4.382 -1.541 1.00 . A A . 3 HIS HB2 1 1 17 2433 1 1 3 HIS HB3 H -3.862 2.766 -1.789 1.00 . A A . 3 HIS HB3 1 1 17 2434 1 1 3 HIS HD1 H -5.663 0.779 -0.711 1.00 . A A . 3 HIS HD1 1 1 17 2435 1 1 3 HIS HD2 H -7.088 4.348 -2.427 1.00 . A A . 3 HIS HD2 1 1 17 2436 1 1 3 HIS HE1 H -8.112 0.410 -1.275 1.00 . A A . 3 HIS HE1 1 1 17 2437 1 1 3 HIS N N -4.945 4.215 1.068 1.00 . A A . 3 HIS N 1 1 17 2438 1 1 3 HIS ND1 N -6.284 1.489 -1.098 1.00 . A A . 3 HIS ND1 1 1 17 2439 1 1 3 HIS NE2 N -8.079 2.462 -1.891 1.00 . A A . 3 HIS NE2 1 1 17 2440 1 1 3 HIS O O -1.919 3.681 -0.626 1.00 . A A . 3 HIS O 1 1 17 2441 1 1 4 TRP C C 0.133 3.380 1.273 1.00 . A A . 4 TRP C 1 1 17 2442 1 1 4 TRP CA C -0.825 4.441 1.804 1.00 . A A . 4 TRP CA 1 1 17 2443 1 1 4 TRP CB C -0.578 4.668 3.296 1.00 . A A . 4 TRP CB 1 1 17 2444 1 1 4 TRP CD1 C -1.461 6.659 4.647 1.00 . A A . 4 TRP CD1 1 1 17 2445 1 1 4 TRP CD2 C 0.128 7.187 3.158 1.00 . A A . 4 TRP CD2 1 1 17 2446 1 1 4 TRP CE2 C -0.269 8.361 3.829 1.00 . A A . 4 TRP CE2 1 1 17 2447 1 1 4 TRP CE3 C 1.117 7.275 2.175 1.00 . A A . 4 TRP CE3 1 1 17 2448 1 1 4 TRP CG C -0.647 6.110 3.697 1.00 . A A . 4 TRP CG 1 1 17 2449 1 1 4 TRP CH2 C 1.258 9.660 2.579 1.00 . A A . 4 TRP CH2 1 1 17 2450 1 1 4 TRP CZ2 C 0.291 9.604 3.545 1.00 . A A . 4 TRP CZ2 1 1 17 2451 1 1 4 TRP CZ3 C 1.671 8.508 1.896 1.00 . A A . 4 TRP CZ3 1 1 17 2452 1 1 4 TRP H H -2.863 4.046 2.359 1.00 . A A . 4 TRP H 1 1 17 2453 1 1 4 TRP HA H -0.637 5.371 1.268 1.00 . A A . 4 TRP HA 1 1 17 2454 1 1 4 TRP HB2 H -1.339 4.126 3.854 1.00 . A A . 4 TRP HB2 1 1 17 2455 1 1 4 TRP HB3 H 0.405 4.278 3.578 1.00 . A A . 4 TRP HB3 1 1 17 2456 1 1 4 TRP HD1 H -2.174 6.110 5.244 1.00 . A A . 4 TRP HD1 1 1 17 2457 1 1 4 TRP HE1 H -1.711 8.663 5.358 1.00 . A A . 4 TRP HE1 1 1 17 2458 1 1 4 TRP HE3 H 1.443 6.391 1.649 1.00 . A A . 4 TRP HE3 1 1 17 2459 1 1 4 TRP HH2 H 1.710 10.612 2.340 1.00 . A A . 4 TRP HH2 1 1 17 2460 1 1 4 TRP HZ2 H -0.025 10.494 4.068 1.00 . A A . 4 TRP HZ2 1 1 17 2461 1 1 4 TRP HZ3 H 2.436 8.580 1.137 1.00 . A A . 4 TRP HZ3 1 1 17 2462 1 1 4 TRP N N -2.212 4.052 1.574 1.00 . A A . 4 TRP N 1 1 17 2463 1 1 4 TRP NE1 N -1.238 8.013 4.731 1.00 . A A . 4 TRP NE1 1 1 17 2464 1 1 4 TRP O O 0.786 3.579 0.249 1.00 . A A . 4 TRP O 1 1 17 2465 1 1 5 ALA C C 0.286 -0.085 1.223 1.00 . A A . 5 ALA C 1 1 17 2466 1 1 5 ALA CA C 1.089 1.163 1.572 1.00 . A A . 5 ALA CA 1 1 17 2467 1 1 5 ALA CB C 2.091 0.857 2.675 1.00 . A A . 5 ALA CB 1 1 17 2468 1 1 5 ALA H H -0.354 2.153 2.818 1.00 . A A . 5 ALA H 1 1 17 2469 1 1 5 ALA HA H 1.654 1.454 0.682 1.00 . A A . 5 ALA HA 1 1 17 2470 1 1 5 ALA HB1 H 2.739 1.720 2.830 1.00 . A A . 5 ALA HB1 1 1 17 2471 1 1 5 ALA HB2 H 2.694 -0.006 2.394 1.00 . A A . 5 ALA HB2 1 1 17 2472 1 1 5 ALA HB3 H 1.552 0.639 3.597 1.00 . A A . 5 ALA HB3 1 1 17 2473 1 1 5 ALA N N 0.211 2.255 1.975 1.00 . A A . 5 ALA N 1 1 17 2474 1 1 5 ALA O O -0.114 -0.845 2.105 1.00 . A A . 5 ALA O 1 1 17 2475 1 1 6 VAL C C 0.045 -2.182 -1.642 1.00 . A A . 6 VAL C 1 1 17 2476 1 1 6 VAL CA C -0.703 -1.448 -0.536 1.00 . A A . 6 VAL CA 1 1 17 2477 1 1 6 VAL CB C -2.093 -1.039 -1.053 1.00 . A A . 6 VAL CB 1 1 17 2478 1 1 6 VAL CG1 C -1.966 -0.114 -2.254 1.00 . A A . 6 VAL CG1 1 1 17 2479 1 1 6 VAL CG2 C -2.915 -2.271 -1.404 1.00 . A A . 6 VAL CG2 1 1 17 2480 1 1 6 VAL H H 0.414 0.374 -0.755 1.00 . A A . 6 VAL H 1 1 17 2481 1 1 6 VAL HA H -0.843 -2.150 0.290 1.00 . A A . 6 VAL HA 1 1 17 2482 1 1 6 VAL HB H -2.607 -0.497 -0.258 1.00 . A A . 6 VAL HB 1 1 17 2483 1 1 6 VAL HG11 H -2.929 0.353 -2.463 1.00 . A A . 6 VAL HG11 1 1 17 2484 1 1 6 VAL HG12 H -1.649 -0.697 -3.120 1.00 . A A . 6 VAL HG12 1 1 17 2485 1 1 6 VAL HG13 H -1.226 0.660 -2.046 1.00 . A A . 6 VAL HG13 1 1 17 2486 1 1 6 VAL HG21 H -2.933 -2.955 -0.556 1.00 . A A . 6 VAL HG21 1 1 17 2487 1 1 6 VAL HG22 H -2.462 -2.768 -2.261 1.00 . A A . 6 VAL HG22 1 1 17 2488 1 1 6 VAL HG23 H -3.934 -1.973 -1.653 1.00 . A A . 6 VAL HG23 1 1 17 2489 1 1 6 VAL N N 0.052 -0.291 -0.070 1.00 . A A . 6 VAL N 1 1 17 2490 1 1 6 VAL O O 0.694 -1.563 -2.484 1.00 . A A . 6 VAL O 1 1 17 2491 1 1 7 GLY C C 2.101 -4.458 -2.374 1.00 . A A . 7 GLY C 1 1 17 2492 1 1 7 GLY CA C 0.618 -4.306 -2.647 1.00 . A A . 7 GLY CA 1 1 17 2493 1 1 7 GLY H H -0.605 -3.970 -0.916 1.00 . A A . 7 GLY H 1 1 17 2494 1 1 7 GLY HA2 H 0.164 -5.296 -2.667 1.00 . A A . 7 GLY HA2 1 1 17 2495 1 1 7 GLY HA3 H 0.484 -3.838 -3.624 1.00 . A A . 7 GLY HA3 1 1 17 2496 1 1 7 GLY N N -0.052 -3.509 -1.638 1.00 . A A . 7 GLY N 1 1 17 2497 1 1 7 GLY O O 2.870 -3.510 -2.534 1.00 . A A . 7 GLY O 1 1 17 2498 1 1 8 HIS C C 4.407 -7.131 -2.453 1.00 . A A . 8 HIS C 1 1 17 2499 1 1 8 HIS CA C 3.908 -5.927 -1.661 1.00 . A A . 8 HIS CA 1 1 17 2500 1 1 8 HIS CB C 4.093 -6.174 -0.163 1.00 . A A . 8 HIS CB 1 1 17 2501 1 1 8 HIS CD2 C 2.683 -4.815 1.541 1.00 . A A . 8 HIS CD2 1 1 17 2502 1 1 8 HIS CE1 C 3.899 -2.993 1.551 1.00 . A A . 8 HIS CE1 1 1 17 2503 1 1 8 HIS CG C 3.731 -4.989 0.688 1.00 . A A . 8 HIS CG 1 1 17 2504 1 1 8 HIS H H 1.821 -6.402 -1.845 1.00 . A A . 8 HIS H 1 1 17 2505 1 1 8 HIS HA H 4.520 -5.064 -1.936 1.00 . A A . 8 HIS HA 1 1 17 2506 1 1 8 HIS HB2 H 3.467 -7.016 0.128 1.00 . A A . 8 HIS HB2 1 1 17 2507 1 1 8 HIS HB3 H 5.137 -6.431 0.022 1.00 . A A . 8 HIS HB3 1 1 17 2508 1 1 8 HIS HD1 H 5.339 -3.649 0.176 1.00 . A A . 8 HIS HD1 1 1 17 2509 1 1 8 HIS HD2 H 1.802 -5.437 1.593 1.00 . A A . 8 HIS HD2 1 1 17 2510 1 1 8 HIS HE1 H 4.259 -2.001 1.777 1.00 . A A . 8 HIS HE1 1 1 17 2511 1 1 8 HIS N N 2.506 -5.655 -1.958 1.00 . A A . 8 HIS N 1 1 17 2512 1 1 8 HIS ND1 N 4.488 -3.828 0.708 1.00 . A A . 8 HIS ND1 1 1 17 2513 1 1 8 HIS NE2 N 2.804 -3.545 2.080 1.00 . A A . 8 HIS NE2 1 1 17 2514 1 1 8 HIS O O 5.081 -8.009 -1.911 1.00 . A A . 8 HIS O 1 1 17 2515 1 1 9 LEU C C 5.408 -7.767 -5.714 1.00 . A A . 9 LEU C 1 1 17 2516 1 1 9 LEU CA C 4.485 -8.266 -4.606 1.00 . A A . 9 LEU CA 1 1 17 2517 1 1 9 LEU CB C 3.260 -8.949 -5.216 1.00 . A A . 9 LEU CB 1 1 17 2518 1 1 9 LEU CD1 C 3.912 -11.326 -4.760 1.00 . A A . 9 LEU CD1 1 1 17 2519 1 1 9 LEU CD2 C 2.251 -10.812 -6.556 1.00 . A A . 9 LEU CD2 1 1 17 2520 1 1 9 LEU CG C 3.498 -10.329 -5.831 1.00 . A A . 9 LEU CG 1 1 17 2521 1 1 9 LEU H H 3.514 -6.410 -4.130 1.00 . A A . 9 LEU H 1 1 17 2522 1 1 9 LEU HA H 5.027 -9.008 -4.023 1.00 . A A . 9 LEU HA 1 1 17 2523 1 1 9 LEU HB2 H 2.507 -9.055 -4.437 1.00 . A A . 9 LEU HB2 1 1 17 2524 1 1 9 LEU HB3 H 2.860 -8.292 -5.991 1.00 . A A . 9 LEU HB3 1 1 17 2525 1 1 9 LEU HD11 H 3.356 -11.134 -3.841 1.00 . A A . 9 LEU HD11 1 1 17 2526 1 1 9 LEU HD12 H 4.981 -11.245 -4.560 1.00 . A A . 9 LEU HD12 1 1 17 2527 1 1 9 LEU HD13 H 3.697 -12.340 -5.102 1.00 . A A . 9 LEU HD13 1 1 17 2528 1 1 9 LEU HD21 H 2.468 -11.742 -7.079 1.00 . A A . 9 LEU HD21 1 1 17 2529 1 1 9 LEU HD22 H 1.928 -10.057 -7.272 1.00 . A A . 9 LEU HD22 1 1 17 2530 1 1 9 LEU HD23 H 1.459 -10.983 -5.827 1.00 . A A . 9 LEU HD23 1 1 17 2531 1 1 9 LEU HG H 4.309 -10.241 -6.556 1.00 . A A . 9 LEU HG 1 1 17 2532 1 1 9 LEU N N 4.072 -7.169 -3.738 1.00 . A A . 9 LEU N 1 1 17 2533 1 1 9 LEU O O 6.369 -8.441 -6.085 1.00 . A A . 9 LEU O 1 1 17 2534 1 1 10 MET C C 6.212 -4.524 -7.004 1.00 . A A . 10 MET C 1 1 17 2535 1 1 10 MET CA C 5.915 -5.991 -7.298 1.00 . A A . 10 MET CA 1 1 17 2536 1 1 10 MET CB C 5.196 -6.119 -8.642 1.00 . A A . 10 MET CB 1 1 17 2537 1 1 10 MET CE C 1.369 -5.225 -9.931 1.00 . A A . 10 MET CE 1 1 17 2538 1 1 10 MET CG C 3.816 -5.482 -8.656 1.00 . A A . 10 MET CG 1 1 17 2539 1 1 10 MET H H 4.300 -6.073 -5.882 1.00 . A A . 10 MET H 1 1 17 2540 1 1 10 MET HA H 6.871 -6.517 -7.366 1.00 . A A . 10 MET HA 1 1 17 2541 1 1 10 MET HB2 H 5.800 -5.638 -9.411 1.00 . A A . 10 MET HB2 1 1 17 2542 1 1 10 MET HB3 H 5.095 -7.177 -8.884 1.00 . A A . 10 MET HB3 1 1 17 2543 1 1 10 MET HE1 H 0.879 -4.624 -10.697 1.00 . A A . 10 MET HE1 1 1 17 2544 1 1 10 MET HE2 H 1.258 -4.738 -8.963 1.00 . A A . 10 MET HE2 1 1 17 2545 1 1 10 MET HE3 H 0.911 -6.213 -9.896 1.00 . A A . 10 MET HE3 1 1 17 2546 1 1 10 MET HG2 H 3.150 -6.076 -8.030 1.00 . A A . 10 MET HG2 1 1 17 2547 1 1 10 MET HG3 H 3.889 -4.476 -8.243 1.00 . A A . 10 MET HG3 1 1 17 2548 1 1 10 MET N N 5.110 -6.582 -6.235 1.00 . A A . 10 MET N 1 1 17 2549 1 1 10 MET O O 6.301 -4.182 -5.836 1.00 . A A . 10 MET O 1 1 17 2550 1 1 10 MET SD S 3.112 -5.386 -10.313 1.00 . A A . 10 MET SD 1 1 stop_ save_
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