NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
606939 | 2ndm | 26065 | cing | 4-filtered-FRED | STAR | entry | full | 112 |
data_FRED_restraints_with_modified_coordinates_PDB_code_2ndm # This FRED archive file contains, for PDB entry <2ndm>: # # - 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_2ndm _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 2ndm _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "all disulfide bound" _Assembly.Molecular_mass 1466.64 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 $PawS_derived_peptide_21 A . 1 1 stop_ save_ save_PawS_derived_peptide_21 _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name "PawS derived peptide 21" _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code GRPCYTLQSCFPD _Entity.Number_of_monomers 13 loop_ _Entity_comp_index.ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 GLY . 1 1 2 ARG . 1 1 3 PRO . 1 1 4 CYS . 1 1 5 TYR . 1 1 6 THR . 1 1 7 LEU . 1 1 8 GLN . 1 1 9 SER . 1 1 10 CYS . 1 1 11 PHE . 1 1 12 PRO . 1 1 13 ASP . 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 ARG 2 2 1 1 PRO 3 3 1 1 CYS 4 4 1 1 TYR 5 5 1 1 THR 6 6 1 1 LEU 7 7 1 1 GLN 8 8 1 1 SER 9 9 1 1 CYS 10 10 1 1 PHE 11 11 1 1 PRO 12 12 1 1 ASP 13 13 1 1 stop_ save_ save_DYANA/DIANA_distance_constraints_4_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID . _Distance_constraint_list.Block_ID . loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . 1 1 2 1 . . . 1 1 3 1 . . . 1 1 4 1 . . . 1 1 5 1 . . . 1 1 6 1 . . . 1 1 7 1 . . . 1 1 8 1 . . . 1 1 9 1 . . . 1 1 10 1 . . . 1 1 11 1 . . . 1 1 12 1 . . . 1 1 13 1 . . . 1 1 14 1 . . . 1 1 15 1 . . . 1 1 16 1 . . . 1 1 17 1 . . . 1 1 18 1 . . . 1 1 19 1 . . . 1 1 20 1 . . . 1 1 21 1 . . . 1 1 22 1 . . . 1 1 23 1 . . . 1 1 24 1 . . . 1 1 25 1 . . . 1 1 26 1 . . . 1 1 27 1 . . . 1 1 28 1 . . . 1 1 29 1 . . . 1 1 30 1 . . . 1 1 31 1 . . . 1 1 32 1 . . . 1 1 33 1 . . . 1 1 34 1 . . . 1 1 35 1 . . . 1 1 36 1 . . . 1 1 37 1 . . . 1 1 38 1 . . . 1 1 39 1 . . . 1 1 40 1 . . . 1 1 41 1 . . . 1 1 42 1 . . . 1 1 43 1 . . . 1 1 44 1 . . . 1 1 45 1 . . . 1 1 46 1 . . . 1 1 47 1 . . . 1 1 48 1 . . . 1 1 49 1 . . . 1 1 50 1 . . . 1 1 51 1 . . . 1 1 52 1 . . . 1 1 53 1 . . . 1 1 54 1 . . . 1 1 55 1 . . . 1 1 56 1 . . . 1 1 57 1 . . . 1 1 58 1 . . . 1 1 59 1 . . . 1 1 60 1 . . . 1 1 61 1 . . . 1 1 62 1 . . . 1 1 63 1 . . . 1 1 64 1 . . . 1 1 65 1 . . . 1 1 66 1 . . . 1 1 67 1 . . . 1 1 68 1 . . . 1 1 69 1 . . . 1 1 70 1 . . . 1 1 71 1 . . . 1 1 72 1 . . . 1 1 73 1 . . . 1 1 74 1 . . . 1 1 75 1 . . . 1 1 76 1 . . . 1 1 77 1 . . . 1 1 78 1 . . . 1 1 79 1 . . . 1 1 80 1 . . . 1 1 81 1 . . . 1 1 82 1 . . . 1 1 83 1 . . . 1 1 84 1 . . . 1 1 85 1 . . . 1 1 86 1 . . . 1 1 87 1 . . . 1 1 88 1 . . . 1 1 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 ARG H . 2 ARG H 1 1 1 1 2 1 1 2 ARG HG3 . 2 ARG HG3 1 1 2 1 1 1 1 2 ARG H . 2 ARG H 1 1 2 1 2 1 1 2 ARG HG2 . 2 ARG HG2 1 1 3 1 1 1 1 3 PRO HA . 3 PRO HA 1 1 3 1 2 1 1 4 CYS H . 4 CYSS H 1 1 4 1 1 1 1 4 CYS H . 4 CYSS H 1 1 4 1 2 1 1 4 CYS HB3 . 4 CYSS HB3 1 1 5 1 1 1 1 4 CYS H . 4 CYSS H 1 1 5 1 2 1 1 4 CYS HB2 . 4 CYSS HB2 1 1 6 1 1 1 1 4 CYS HA . 4 CYSS HA 1 1 6 1 2 1 1 5 TYR H . 5 TYR H 1 1 7 1 1 1 1 4 CYS HB2 . 4 CYSS HB2 1 1 7 1 2 1 1 5 TYR H . 5 TYR H 1 1 8 1 1 1 1 4 CYS HB3 . 4 CYSS HB3 1 1 8 1 2 1 1 5 TYR H . 5 TYR H 1 1 9 1 1 1 1 5 TYR HA . 5 TYR HA 1 1 9 1 2 1 1 5 TYR QD . 5 TYR QD 1 1 10 1 1 1 1 6 THR H . 6 THR H 1 1 10 1 2 1 1 6 THR MG . 6 THR QG2 1 1 11 1 1 1 1 6 THR HA . 6 THR HA 1 1 11 1 2 1 1 7 LEU H . 7 LEU H 1 1 12 1 1 1 1 6 THR HB . 6 THR HB 1 1 12 1 2 1 1 7 LEU H . 7 LEU H 1 1 13 1 1 1 1 7 LEU H . 7 LEU H 1 1 13 1 2 1 1 7 LEU HB3 . 7 LEU HB3 1 1 14 1 1 1 1 7 LEU H . 7 LEU H 1 1 14 1 2 1 1 7 LEU HB2 . 7 LEU HB2 1 1 15 1 1 1 1 7 LEU H . 7 LEU H 1 1 15 1 2 1 1 7 LEU MD2 . 7 LEU QD2 1 1 16 1 1 1 1 7 LEU H . 7 LEU H 1 1 16 1 2 1 1 7 LEU MD1 . 7 LEU QD1 1 1 17 1 1 1 1 8 GLN H . 8 GLN H 1 1 17 1 2 1 1 8 GLN QG . 8 GLN QG 1 1 18 1 1 1 1 7 LEU HB3 . 7 LEU HB3 1 1 18 1 2 1 1 8 GLN H . 8 GLN H 1 1 19 1 1 1 1 7 LEU HB2 . 7 LEU HB2 1 1 19 1 2 1 1 8 GLN H . 8 GLN H 1 1 20 1 1 1 1 6 THR MG . 6 THR QG2 1 1 20 1 2 1 1 7 LEU H . 7 LEU H 1 1 21 1 1 1 1 6 THR MG . 6 THR QG2 1 1 21 1 2 1 1 8 GLN H . 8 GLN H 1 1 22 1 1 1 1 9 SER H . 9 SER H 1 1 22 1 2 1 1 9 SER QB . 9 SER QB 1 1 23 1 1 1 1 8 GLN QG . 8 GLN QG 1 1 23 1 2 1 1 9 SER H . 9 SER H 1 1 24 1 1 1 1 8 GLN HB3 . 8 GLN HB3 1 1 24 1 2 1 1 9 SER H . 9 SER H 1 1 25 1 1 1 1 8 GLN HB2 . 8 GLN HB2 1 1 25 1 2 1 1 9 SER H . 9 SER H 1 1 26 1 1 1 1 6 THR MG . 6 THR QG2 1 1 26 1 2 1 1 9 SER H . 9 SER H 1 1 27 1 1 1 1 7 LEU H . 7 LEU H 1 1 27 1 2 1 1 8 GLN QG . 8 GLN QG 1 1 28 1 1 1 1 9 SER HA . 9 SER HA 1 1 28 1 2 1 1 10 CYS H . 10 CYSS H 1 1 29 1 1 1 1 10 CYS H . 10 CYSS H 1 1 29 1 2 1 1 10 CYS HB2 . 10 CYSS HB2 1 1 30 1 1 1 1 10 CYS H . 10 CYSS H 1 1 30 1 2 1 1 10 CYS HB3 . 10 CYSS HB3 1 1 31 1 1 1 1 9 SER QB . 9 SER QB 1 1 31 1 2 1 1 10 CYS H . 10 CYSS H 1 1 32 1 1 1 1 10 CYS HA . 10 CYSS HA 1 1 32 1 2 1 1 11 PHE H . 11 PHE H 1 1 33 1 1 1 1 11 PHE H . 11 PHE H 1 1 33 1 2 1 1 11 PHE HB2 . 11 PHE HB2 1 1 34 1 1 1 1 11 PHE H . 11 PHE H 1 1 34 1 2 1 1 11 PHE HB3 . 11 PHE HB3 1 1 35 1 1 1 1 2 ARG HA . 2 ARG HA 1 1 35 1 2 1 1 3 PRO HD2 . 3 PRO HD2 1 1 36 1 1 1 1 2 ARG HA . 2 ARG HA 1 1 36 1 2 1 1 3 PRO HD3 . 3 PRO HD3 1 1 37 1 1 1 1 2 ARG QB . 2 ARG QB 1 1 37 1 2 1 1 3 PRO HA . 3 PRO HA 1 1 38 1 1 1 1 11 PHE HA . 11 PHE HA 1 1 38 1 2 1 1 12 PRO HD2 . 12 PRO HD2 1 1 39 1 1 1 1 11 PHE HA . 11 PHE HA 1 1 39 1 2 1 1 12 PRO HD3 . 12 PRO HD3 1 1 40 1 1 1 1 11 PHE HA . 11 PHE HA 1 1 40 1 2 1 1 12 PRO HG3 . 12 PRO HG3 1 1 41 1 1 1 1 11 PHE HA . 11 PHE HA 1 1 41 1 2 1 1 12 PRO HG2 . 12 PRO HG2 1 1 42 1 1 1 1 12 PRO HA . 12 PRO HA 1 1 42 1 2 1 1 13 ASP H . 13 ASP H 1 1 43 1 1 1 1 13 ASP H . 13 ASP H 1 1 43 1 2 1 1 13 ASP HB2 . 13 ASP HB2 1 1 44 1 1 1 1 13 ASP H . 13 ASP H 1 1 44 1 2 1 1 13 ASP HB3 . 13 ASP HB3 1 1 45 1 1 1 1 12 PRO HG2 . 12 PRO HG2 1 1 45 1 2 1 1 13 ASP H . 13 ASP H 1 1 46 1 1 1 1 12 PRO HG3 . 12 PRO HG3 1 1 46 1 2 1 1 13 ASP H . 13 ASP H 1 1 47 1 1 1 1 2 ARG H . 2 ARG H 1 1 47 1 2 1 1 13 ASP H . 13 ASP H 1 1 48 1 1 1 1 5 TYR H . 5 TYR H 1 1 48 1 2 1 1 5 TYR QD . 5 TYR QD 1 1 49 1 1 1 1 5 TYR H . 5 TYR H 1 1 49 1 2 1 1 5 TYR QE . 5 TYR QE 1 1 50 1 1 1 1 5 TYR H . 5 TYR H 1 1 50 1 2 1 1 6 THR H . 6 THR H 1 1 51 1 1 1 1 11 PHE H . 11 PHE H 1 1 51 1 2 1 1 11 PHE QD . 11 PHE QD 1 1 52 1 1 1 1 10 CYS H . 10 CYSS H 1 1 52 1 2 1 1 11 PHE H . 11 PHE H 1 1 53 1 1 1 1 7 LEU H . 7 LEU H 1 1 53 1 2 1 1 8 GLN H . 8 GLN H 1 1 54 1 1 1 1 4 CYS H . 4 CYSS H 1 1 54 1 2 1 1 5 TYR H . 5 TYR H 1 1 55 1 1 1 1 9 SER H . 9 SER H 1 1 55 1 2 1 1 10 CYS H . 10 CYSS H 1 1 56 1 1 1 1 6 THR H . 6 THR H 1 1 56 1 2 1 1 7 LEU H . 7 LEU H 1 1 57 1 1 1 1 5 TYR H . 5 TYR H 1 1 57 1 2 1 1 6 THR MG . 6 THR QG2 1 1 58 1 1 1 1 6 THR HA . 6 THR HA 1 1 58 1 2 1 1 6 THR HB . 6 THR HB 1 1 59 1 1 1 1 5 TYR QD . 5 TYR QD 1 1 59 1 2 1 1 6 THR MG . 6 THR QG2 1 1 60 1 1 1 1 6 THR HA . 6 THR HA 1 1 60 1 2 1 1 6 THR MG . 6 THR QG2 1 1 61 1 1 1 1 11 PHE HA . 11 PHE HA 1 1 61 1 2 1 1 11 PHE QD . 11 PHE QD 1 1 62 1 1 1 1 11 PHE HA . 11 PHE HA 1 1 62 1 2 1 1 11 PHE QE . 11 PHE QE 1 1 63 1 1 1 1 1 GLY QA . 1 GLY QA 1 1 63 1 2 1 1 13 ASP H . 13 ASP H 1 1 64 1 1 1 1 2 ARG H . 2 ARG H 1 1 64 1 2 1 1 2 ARG QG . 2 ARG QG 1 1 65 1 1 1 1 2 ARG H . 2 ARG H 1 1 65 1 2 1 1 2 ARG QD . 2 ARG QD 1 1 66 1 1 1 1 2 ARG HA . 2 ARG HA 1 1 66 1 2 1 1 3 PRO QD . 3 PRO QD 1 1 67 1 1 1 1 2 ARG QB . 2 ARG QB 1 1 67 1 2 1 1 3 PRO QD . 3 PRO QD 1 1 68 1 1 1 1 3 PRO QB . 3 PRO QB 1 1 68 1 2 1 1 5 TYR QD . 5 TYR QD 1 1 69 1 1 1 1 3 PRO QG . 3 PRO QG 1 1 69 1 2 1 1 4 CYS H . 4 CYSS H 1 1 70 1 1 1 1 3 PRO QG . 3 PRO QG 1 1 70 1 2 1 1 5 TYR QD . 5 TYR QD 1 1 71 1 1 1 1 4 CYS QB . 4 CYSS QB 1 1 71 1 2 1 1 5 TYR H . 5 TYR H 1 1 72 1 1 1 1 5 TYR H . 5 TYR H 1 1 72 1 2 1 1 5 TYR QB . 5 TYR QB 1 1 73 1 1 1 1 5 TYR QB . 5 TYR QB 1 1 73 1 2 1 1 6 THR H . 6 THR H 1 1 74 1 1 1 1 7 LEU H . 7 LEU H 1 1 74 1 2 1 1 7 LEU QD . 7 LEU QQD 1 1 75 1 1 1 1 7 LEU H . 7 LEU H 1 1 75 1 2 1 1 8 GLN QB . 8 GLN QB 1 1 76 1 1 1 1 7 LEU HA . 7 LEU HA 1 1 76 1 2 1 1 7 LEU QD . 7 LEU QQD 1 1 77 1 1 1 1 7 LEU QB . 7 LEU QB 1 1 77 1 2 1 1 8 GLN H . 8 GLN H 1 1 78 1 1 1 1 7 LEU QB . 7 LEU QB 1 1 78 1 2 1 1 9 SER H . 9 SER H 1 1 79 1 1 1 1 7 LEU QD . 7 LEU QQD 1 1 79 1 2 1 1 8 GLN H . 8 GLN H 1 1 80 1 1 1 1 8 GLN H . 8 GLN H 1 1 80 1 2 1 1 8 GLN QB . 8 GLN QB 1 1 81 1 1 1 1 8 GLN QB . 8 GLN QB 1 1 81 1 2 1 1 9 SER H . 9 SER H 1 1 82 1 1 1 1 10 CYS H . 10 CYSS H 1 1 82 1 2 1 1 10 CYS QB . 10 CYSS QB 1 1 83 1 1 1 1 10 CYS QB . 10 CYSS QB 1 1 83 1 2 1 1 11 PHE H . 11 PHE H 1 1 84 1 1 1 1 11 PHE H . 11 PHE H 1 1 84 1 2 1 1 11 PHE QB . 11 PHE QB 1 1 85 1 1 1 1 11 PHE H . 11 PHE H 1 1 85 1 2 1 1 12 PRO QD . 12 PRO QD 1 1 86 1 1 1 1 11 PHE HA . 11 PHE HA 1 1 86 1 2 1 1 12 PRO QG . 12 PRO QG 1 1 87 1 1 1 1 11 PHE HA . 11 PHE HA 1 1 87 1 2 1 1 12 PRO QD . 12 PRO QD 1 1 88 1 1 1 1 12 PRO QG . 12 PRO QG 1 1 88 1 2 1 1 13 ASP H . 13 ASP 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 . . . . . . . 3.88 1 1 2 1 . . . . . . . 3.88 1 1 3 1 . . . . . . . 3.16 1 1 4 1 . . . . . . . 4.05 1 1 5 1 . . . . . . . 4.05 1 1 6 1 . . . . . . . 3.15 1 1 7 1 . . . . . . . 4.84 1 1 8 1 . . . . . . . 4.84 1 1 9 1 . . . . . . . 3.63 1 1 10 1 . . . . . . . 4.16 1 1 11 1 . . . . . . . 3.32 1 1 12 1 . . . . . . . 3.82 1 1 13 1 . . . . . . . 3.8 1 1 14 1 . . . . . . . 3.8 1 1 15 1 . . . . . . . 5.38 1 1 16 1 . . . . . . . 5.38 1 1 17 1 . . . . . . . 4.28 1 1 18 1 . . . . . . . 4.7 1 1 19 1 . . . . . . . 4.7 1 1 20 1 . . . . . . . 4.8 1 1 21 1 . . . . . . . 5.29 1 1 22 1 . . . . . . . 3.77 1 1 23 1 . . . . . . . 5.03 1 1 24 1 . . . . . . . 4.44 1 1 25 1 . . . . . . . 4.44 1 1 26 1 . . . . . . . 5.5 1 1 27 1 . . . . . . . 5.5 1 1 28 1 . . . . . . . 3.46 1 1 29 1 . . . . . . . 4.2 1 1 30 1 . . . . . . . 4.2 1 1 31 1 . . . . . . . 4.63 1 1 32 1 . . . . . . . 3.03 1 1 33 1 . . . . . . . 3.77 1 1 34 1 . . . . . . . 3.77 1 1 35 1 . . . . . . . 3.75 1 1 36 1 . . . . . . . 3.75 1 1 37 1 . . . . . . . 4.98 1 1 38 1 . . . . . . . 3.5 1 1 39 1 . . . . . . . 3.5 1 1 40 1 . . . . . . . 5.2 1 1 41 1 . . . . . . . 5.2 1 1 42 1 . . . . . . . 3.46 1 1 43 1 . . . . . . . 4.12 1 1 44 1 . . . . . . . 4.12 1 1 45 1 . . . . . . . 5.5 1 1 46 1 . . . . . . . 5.5 1 1 47 1 . . . . . . . 3.62 1 1 48 1 . . . . . . . 4.41 1 1 49 1 . . . . . . . 4.94 1 1 50 1 . . . . . . . 5.23 1 1 51 1 . . . . . . . 4.84 1 1 52 1 . . . . . . . 5.39 1 1 53 1 . . . . . . . 4.0 1 1 54 1 . . . . . . . 4.95 1 1 55 1 . . . . . . . 4.73 1 1 56 1 . . . . . . . 4.75 1 1 57 1 . . . . . . . 5.5 1 1 58 1 . . . . . . . 2.82 1 1 59 1 . . . . . . . 5.5 1 1 60 1 . . . . . . . 3.64 1 1 61 1 . . . . . . . 3.92 1 1 62 1 . . . . . . . 4.82 1 1 63 1 . . . . . . . 4.66 1 1 64 1 . . . . . . . 3.32 1 1 65 1 . . . . . . . 4.91 1 1 66 1 . . . . . . . 3.1 1 1 67 1 . . . . . . . 3.93 1 1 68 1 . . . . . . . 5.34 1 1 69 1 . . . . . . . 4.7 1 1 70 1 . . . . . . . 5.35 1 1 71 1 . . . . . . . 4.21 1 1 72 1 . . . . . . . 3.48 1 1 73 1 . . . . . . . 4.31 1 1 74 1 . . . . . . . 4.57 1 1 75 1 . . . . . . . 5.34 1 1 76 1 . . . . . . . 3.55 1 1 77 1 . . . . . . . 4.11 1 1 78 1 . . . . . . . 5.21 1 1 79 1 . . . . . . . 5.44 1 1 80 1 . . . . . . . 3.55 1 1 81 1 . . . . . . . 3.85 1 1 82 1 . . . . . . . 3.55 1 1 83 1 . . . . . . . 3.4 1 1 84 1 . . . . . . . 3.13 1 1 85 1 . . . . . . . 5.35 1 1 86 1 . . . . . . . 4.58 1 1 87 1 . . . . . . . 3.06 1 1 88 1 . . . . . . . 4.75 1 1 stop_ save_ save_DYANA/DIANA_distance_constraints_3_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 2 _Distance_constraint_list.Constraint_type "hydrogen bond" _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 2 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 ARG O . 2 ARG O 1 2 1 1 2 1 1 13 ASP H . 13 ASP H 1 2 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . . . 2.3 1 2 stop_ save_ save_DYANA/DIANA_dihedral_2 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID 1 _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID . _Torsion_angle_constraint_list.Block_ID . loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 PHI 1 1 1 GLY C 1 1 2 ARG N 1 1 2 ARG CA 1 1 2 ARG C -90.8 -50.8 . 2 ARG . . 2 ARG . . 2 ARG . . 2 ARG . 1 1 2 PSI 1 1 2 ARG N 1 1 2 ARG CA 1 1 2 ARG C 1 1 3 PRO N 117.3 158.8 . 2 ARG . . 2 ARG . . 2 ARG . . 2 ARG . 1 1 3 PSI 1 1 3 PRO N 1 1 3 PRO CA 1 1 3 PRO C 1 1 4 CYS N 123.200005 163.2 . 3 PRO . . 3 PRO . . 3 PRO . . 3 PRO . 1 1 4 PHI 1 1 3 PRO C 1 1 4 CYS N 1 1 4 CYS CA 1 1 4 CYS C -119.6 -57.500004 . 4 CYSS . . 4 CYSS . . 4 CYSS . . 4 CYSS . 1 1 5 PSI 1 1 4 CYS N 1 1 4 CYS CA 1 1 4 CYS C 1 1 5 TYR N 94.3 162.8 . 4 CYSS . . 4 CYSS . . 4 CYSS . . 4 CYSS . 1 1 6 PHI 1 1 4 CYS C 1 1 5 TYR N 1 1 5 TYR CA 1 1 5 TYR C -119.8 -38.1 . 5 TYR . . 5 TYR . . 5 TYR . . 5 TYR . 1 1 7 PSI 1 1 5 TYR N 1 1 5 TYR CA 1 1 5 TYR C 1 1 6 THR N 107.7 176.0 . 5 TYR . . 5 TYR . . 5 TYR . . 5 TYR . 1 1 8 PHI 1 1 5 TYR C 1 1 6 THR N 1 1 6 THR CA 1 1 6 THR C -176.3 -42.9 . 6 THR . . 6 THR . . 6 THR . . 6 THR . 1 1 9 PSI 1 1 6 THR N 1 1 6 THR CA 1 1 6 THR C 1 1 7 LEU N 138.5 196.6 . 6 THR . . 6 THR . . 6 THR . . 6 THR . 1 1 10 PHI 1 1 6 THR C 1 1 7 LEU N 1 1 7 LEU CA 1 1 7 LEU C -84.8 -44.8 . 7 LEU . . 7 LEU . . 7 LEU . . 7 LEU . 1 1 11 PSI 1 1 7 LEU N 1 1 7 LEU CA 1 1 7 LEU C 1 1 8 GLN N -42.2 -2.2 . 7 LEU . . 7 LEU . . 7 LEU . . 7 LEU . 1 1 12 PHI 1 1 7 LEU C 1 1 8 GLN N 1 1 8 GLN CA 1 1 8 GLN C -108.5 -68.5 . 8 GLN . . 8 GLN . . 8 GLN . . 8 GLN . 1 1 13 PSI 1 1 8 GLN N 1 1 8 GLN CA 1 1 8 GLN C 1 1 9 SER N -23.8 16.199999 . 8 GLN . . 8 GLN . . 8 GLN . . 8 GLN . 1 1 14 PHI 1 1 9 SER C 1 1 10 CYS N 1 1 10 CYS CA 1 1 10 CYS C -111.9 -61.3 . 10 CYSS . . 10 CYSS . . 10 CYSS . . 10 CYSS . 1 1 15 PSI 1 1 10 CYS N 1 1 10 CYS CA 1 1 10 CYS C 1 1 11 PHE N 91.8 151.8 . 10 CYSS . . 10 CYSS . . 10 CYSS . . 10 CYSS . 1 1 16 PHI 1 1 10 CYS C 1 1 11 PHE N 1 1 11 PHE CA 1 1 11 PHE C -91.8 -51.8 . 11 PHE . . 11 PHE . . 11 PHE . . 11 PHE . 1 1 17 PSI 1 1 11 PHE N 1 1 11 PHE CA 1 1 11 PHE C 1 1 12 PRO N 114.5 154.5 . 11 PHE . . 11 PHE . . 11 PHE . . 11 PHE . 1 1 18 PSI 1 1 12 PRO N 1 1 12 PRO CA 1 1 12 PRO C 1 1 13 ASP N 123.59999 165.7 . 12 PRO . . 12 PRO . . 12 PRO . . 12 PRO . 1 1 19 CHI1 1 1 2 ARG N 1 1 2 ARG CA 1 1 2 ARG CB 1 1 2 ARG CG -89.99999 -30.0 . 2 ARG . . 2 ARG . . 2 ARG . . 2 ARG . 1 1 20 CHI1 1 1 5 TYR N 1 1 5 TYR CA 1 1 5 TYR CB 1 1 5 TYR CG -89.99999 -30.0 . 5 TYR . . 5 TYR . . 5 TYR . . 5 TYR . 1 1 21 CHI1 1 1 6 THR N 1 1 6 THR CA 1 1 6 THR CB 1 1 6 THR OG1 30.0 89.99999 . 6 THR . . 6 THR . . 6 THR . . 6 THR . 1 1 22 CHI1 1 1 8 GLN N 1 1 8 GLN CA 1 1 8 GLN CB 1 1 8 GLN CG -89.99999 -30.0 . 8 GLN . . 8 GLN . . 8 GLN . . 8 GLN . 1 1 23 CHI1 1 1 11 PHE N 1 1 11 PHE CA 1 1 11 PHE CB 1 1 11 PHE CG -89.99999 -30.0 . 11 PHE . . 11 PHE . . 11 PHE . . 11 PHE . 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 9.150 -1.241 -0.436 1.00 . A A . 1 GLY C 1 1 1 2 1 1 1 GLY CA C 9.965 -0.017 -0.071 1.00 . A A . 1 GLY CA 1 1 1 3 1 1 1 GLY H1 H 9.512 2.009 0.348 1.00 . A A . 1 GLY H1 1 1 1 4 1 1 1 GLY HA2 H 10.560 0.275 -0.924 1.00 . A A . 1 GLY HA2 1 1 1 5 1 1 1 GLY HA3 H 10.626 -0.270 0.746 1.00 . A A . 1 GLY HA3 1 1 1 6 1 1 1 GLY N N 9.135 1.104 0.330 1.00 . A A . 1 GLY N 1 1 1 7 1 1 1 GLY O O 9.198 -1.710 -1.574 1.00 . A A . 1 GLY O 1 1 1 8 1 1 2 ARG C C 6.185 -2.545 -0.188 1.00 . A A . 2 ARG C 1 1 1 9 1 1 2 ARG CA C 7.574 -2.941 0.304 1.00 . A A . 2 ARG CA 1 1 1 10 1 1 2 ARG CB C 7.456 -3.762 1.590 1.00 . A A . 2 ARG CB 1 1 1 11 1 1 2 ARG CD C 8.476 -6.007 1.108 1.00 . A A . 2 ARG CD 1 1 1 12 1 1 2 ARG CG C 8.640 -4.682 1.835 1.00 . A A . 2 ARG CG 1 1 1 13 1 1 2 ARG CZ C 10.655 -7.063 1.530 1.00 . A A . 2 ARG CZ 1 1 1 14 1 1 2 ARG H H 8.405 -1.343 1.417 1.00 . A A . 2 ARG H 1 1 1 15 1 1 2 ARG HA H 8.053 -3.542 -0.453 1.00 . A A . 2 ARG HA 1 1 1 16 1 1 2 ARG HB2 H 7.374 -3.086 2.428 1.00 . A A . 2 ARG HB2 1 1 1 17 1 1 2 ARG HB3 H 6.563 -4.365 1.536 1.00 . A A . 2 ARG HB3 1 1 1 18 1 1 2 ARG HD2 H 7.446 -6.322 1.189 1.00 . A A . 2 ARG HD2 1 1 1 19 1 1 2 ARG HD3 H 8.728 -5.866 0.067 1.00 . A A . 2 ARG HD3 1 1 1 20 1 1 2 ARG HE H 8.903 -7.772 2.167 1.00 . A A . 2 ARG HE 1 1 1 21 1 1 2 ARG HG2 H 9.540 -4.200 1.481 1.00 . A A . 2 ARG HG2 1 1 1 22 1 1 2 ARG HG3 H 8.724 -4.871 2.895 1.00 . A A . 2 ARG HG3 1 1 1 23 1 1 2 ARG HH11 H 10.732 -5.356 0.454 1.00 . A A . 2 ARG HH11 1 1 1 24 1 1 2 ARG HH12 H 12.262 -6.109 0.759 1.00 . A A . 2 ARG HH12 1 1 1 25 1 1 2 ARG HH21 H 10.911 -8.774 2.575 1.00 . A A . 2 ARG HH21 1 1 1 26 1 1 2 ARG HH22 H 12.362 -8.055 1.965 1.00 . A A . 2 ARG HH22 1 1 1 27 1 1 2 ARG N N 8.401 -1.762 0.530 1.00 . A A . 2 ARG N 1 1 1 28 1 1 2 ARG NE N 9.334 -7.049 1.666 1.00 . A A . 2 ARG NE 1 1 1 29 1 1 2 ARG NH1 N 11.267 -6.097 0.859 1.00 . A A . 2 ARG NH1 1 1 1 30 1 1 2 ARG NH2 N 11.368 -8.045 2.067 1.00 . A A . 2 ARG NH2 1 1 1 31 1 1 2 ARG O O 5.731 -1.416 0.001 1.00 . A A . 2 ARG O 1 1 1 32 1 1 3 PRO C C 3.104 -3.121 -0.265 1.00 . A A . 3 PRO C 1 1 1 33 1 1 3 PRO CA C 4.146 -3.268 -1.368 1.00 . A A . 3 PRO CA 1 1 1 34 1 1 3 PRO CB C 3.876 -4.526 -2.196 1.00 . A A . 3 PRO CB 1 1 1 35 1 1 3 PRO CD C 5.972 -4.861 -1.097 1.00 . A A . 3 PRO CD 1 1 1 36 1 1 3 PRO CG C 4.741 -5.574 -1.586 1.00 . A A . 3 PRO CG 1 1 1 37 1 1 3 PRO HA H 4.114 -2.398 -2.009 1.00 . A A . 3 PRO HA 1 1 1 38 1 1 3 PRO HB2 H 2.829 -4.787 -2.128 1.00 . A A . 3 PRO HB2 1 1 1 39 1 1 3 PRO HB3 H 4.141 -4.346 -3.227 1.00 . A A . 3 PRO HB3 1 1 1 40 1 1 3 PRO HD2 H 6.339 -5.322 -0.192 1.00 . A A . 3 PRO HD2 1 1 1 41 1 1 3 PRO HD3 H 6.736 -4.862 -1.859 1.00 . A A . 3 PRO HD3 1 1 1 42 1 1 3 PRO HG2 H 4.226 -6.042 -0.761 1.00 . A A . 3 PRO HG2 1 1 1 43 1 1 3 PRO HG3 H 5.006 -6.310 -2.331 1.00 . A A . 3 PRO HG3 1 1 1 44 1 1 3 PRO N N 5.493 -3.493 -0.836 1.00 . A A . 3 PRO N 1 1 1 45 1 1 3 PRO O O 3.007 -3.964 0.628 1.00 . A A . 3 PRO O 1 1 1 46 1 1 4 CYS C C -0.092 -1.743 0.007 1.00 . A A . 4 CYS C 1 1 1 47 1 1 4 CYS CA C 1.287 -1.792 0.660 1.00 . A A . 4 CYS CA 1 1 1 48 1 1 4 CYS CB C 1.564 -0.477 1.390 1.00 . A A . 4 CYS CB 1 1 1 49 1 1 4 CYS H H 2.447 -1.412 -1.069 1.00 . A A . 4 CYS H 1 1 1 50 1 1 4 CYS HA H 1.304 -2.601 1.375 1.00 . A A . 4 CYS HA 1 1 1 51 1 1 4 CYS HB2 H 2.629 -0.290 1.386 1.00 . A A . 4 CYS HB2 1 1 1 52 1 1 4 CYS HB3 H 1.062 0.327 0.872 1.00 . A A . 4 CYS HB3 1 1 1 53 1 1 4 CYS N N 2.323 -2.048 -0.333 1.00 . A A . 4 CYS N 1 1 1 54 1 1 4 CYS O O -0.456 -0.751 -0.625 1.00 . A A . 4 CYS O 1 1 1 55 1 1 4 CYS SG S 1.004 -0.455 3.123 1.00 . A A . 4 CYS SG 1 1 1 56 1 1 5 TYR C C -3.242 -3.090 0.680 1.00 . A A . 5 TYR C 1 1 1 57 1 1 5 TYR CA C -2.191 -2.900 -0.409 1.00 . A A . 5 TYR CA 1 1 1 58 1 1 5 TYR CB C -2.268 -4.052 -1.414 1.00 . A A . 5 TYR CB 1 1 1 59 1 1 5 TYR CD1 C -0.828 -2.880 -3.126 1.00 . A A . 5 TYR CD1 1 1 1 60 1 1 5 TYR CD2 C -0.421 -5.190 -2.706 1.00 . A A . 5 TYR CD2 1 1 1 61 1 1 5 TYR CE1 C 0.191 -2.866 -4.060 1.00 . A A . 5 TYR CE1 1 1 1 62 1 1 5 TYR CE2 C 0.600 -5.186 -3.635 1.00 . A A . 5 TYR CE2 1 1 1 63 1 1 5 TYR CG C -1.152 -4.041 -2.434 1.00 . A A . 5 TYR CG 1 1 1 64 1 1 5 TYR CZ C 0.903 -4.020 -4.311 1.00 . A A . 5 TYR CZ 1 1 1 65 1 1 5 TYR H H -0.509 -3.578 0.680 1.00 . A A . 5 TYR H 1 1 1 66 1 1 5 TYR HA H -2.388 -1.972 -0.926 1.00 . A A . 5 TYR HA 1 1 1 67 1 1 5 TYR HB2 H -2.221 -4.989 -0.882 1.00 . A A . 5 TYR HB2 1 1 1 68 1 1 5 TYR HB3 H -3.206 -3.993 -1.948 1.00 . A A . 5 TYR HB3 1 1 1 69 1 1 5 TYR HD1 H -1.387 -1.977 -2.928 1.00 . A A . 5 TYR HD1 1 1 1 70 1 1 5 TYR HD2 H -0.661 -6.102 -2.176 1.00 . A A . 5 TYR HD2 1 1 1 71 1 1 5 TYR HE1 H 0.428 -1.954 -4.588 1.00 . A A . 5 TYR HE1 1 1 1 72 1 1 5 TYR HE2 H 1.157 -6.090 -3.832 1.00 . A A . 5 TYR HE2 1 1 1 73 1 1 5 TYR HH H 2.228 -4.909 -5.382 1.00 . A A . 5 TYR HH 1 1 1 74 1 1 5 TYR N N -0.854 -2.819 0.165 1.00 . A A . 5 TYR N 1 1 1 75 1 1 5 TYR O O -3.244 -4.097 1.391 1.00 . A A . 5 TYR O 1 1 1 76 1 1 5 TYR OH O 1.918 -4.011 -5.239 1.00 . A A . 5 TYR OH 1 1 1 77 1 1 6 THR C C -6.524 -1.698 1.232 1.00 . A A . 6 THR C 1 1 1 78 1 1 6 THR CA C -5.195 -2.174 1.807 1.00 . A A . 6 THR CA 1 1 1 79 1 1 6 THR CB C -4.847 -1.318 3.040 1.00 . A A . 6 THR CB 1 1 1 80 1 1 6 THR CG2 C -3.584 -1.831 3.715 1.00 . A A . 6 THR CG2 1 1 1 81 1 1 6 THR H H -4.084 -1.340 0.209 1.00 . A A . 6 THR H 1 1 1 82 1 1 6 THR HA H -5.298 -3.201 2.124 1.00 . A A . 6 THR HA 1 1 1 83 1 1 6 THR HB H -5.664 -1.381 3.745 1.00 . A A . 6 THR HB 1 1 1 84 1 1 6 THR HG1 H -5.218 0.611 3.202 1.00 . A A . 6 THR HG1 1 1 1 85 1 1 6 THR HG21 H -2.718 -1.479 3.174 1.00 . A A . 6 THR HG21 1 1 1 86 1 1 6 THR HG22 H -3.591 -2.911 3.720 1.00 . A A . 6 THR HG22 1 1 1 87 1 1 6 THR HG23 H -3.545 -1.467 4.731 1.00 . A A . 6 THR HG23 1 1 1 88 1 1 6 THR N N -4.138 -2.116 0.806 1.00 . A A . 6 THR N 1 1 1 89 1 1 6 THR O O -6.626 -1.399 0.042 1.00 . A A . 6 THR O 1 1 1 90 1 1 6 THR OG1 O -4.666 0.048 2.654 1.00 . A A . 6 THR OG1 1 1 1 91 1 1 7 LEU C C -8.861 0.296 1.314 1.00 . A A . 7 LEU C 1 1 1 92 1 1 7 LEU CA C -8.866 -1.190 1.660 1.00 . A A . 7 LEU CA 1 1 1 93 1 1 7 LEU CB C -9.892 -1.465 2.760 1.00 . A A . 7 LEU CB 1 1 1 94 1 1 7 LEU CD1 C -9.675 -3.858 3.478 1.00 . A A . 7 LEU CD1 1 1 1 95 1 1 7 LEU CD2 C -11.935 -2.794 3.350 1.00 . A A . 7 LEU CD2 1 1 1 96 1 1 7 LEU CG C -10.542 -2.850 2.740 1.00 . A A . 7 LEU CG 1 1 1 97 1 1 7 LEU H H -7.399 -1.882 3.019 1.00 . A A . 7 LEU H 1 1 1 98 1 1 7 LEU HA H -9.136 -1.751 0.778 1.00 . A A . 7 LEU HA 1 1 1 99 1 1 7 LEU HB2 H -9.398 -1.347 3.711 1.00 . A A . 7 LEU HB2 1 1 1 100 1 1 7 LEU HB3 H -10.678 -0.729 2.669 1.00 . A A . 7 LEU HB3 1 1 1 101 1 1 7 LEU HD11 H -8.810 -4.096 2.876 1.00 . A A . 7 LEU HD11 1 1 1 102 1 1 7 LEU HD12 H -10.244 -4.756 3.661 1.00 . A A . 7 LEU HD12 1 1 1 103 1 1 7 LEU HD13 H -9.355 -3.436 4.418 1.00 . A A . 7 LEU HD13 1 1 1 104 1 1 7 LEU HD21 H -12.596 -2.252 2.690 1.00 . A A . 7 LEU HD21 1 1 1 105 1 1 7 LEU HD22 H -11.889 -2.291 4.305 1.00 . A A . 7 LEU HD22 1 1 1 106 1 1 7 LEU HD23 H -12.307 -3.798 3.490 1.00 . A A . 7 LEU HD23 1 1 1 107 1 1 7 LEU HG H -10.639 -3.181 1.715 1.00 . A A . 7 LEU HG 1 1 1 108 1 1 7 LEU N N -7.541 -1.630 2.084 1.00 . A A . 7 LEU N 1 1 1 109 1 1 7 LEU O O -9.571 0.734 0.409 1.00 . A A . 7 LEU O 1 1 1 110 1 1 8 GLN C C -6.821 2.819 0.838 1.00 . A A . 8 GLN C 1 1 1 111 1 1 8 GLN CA C -7.956 2.500 1.806 1.00 . A A . 8 GLN CA 1 1 1 112 1 1 8 GLN CB C -7.737 3.238 3.128 1.00 . A A . 8 GLN CB 1 1 1 113 1 1 8 GLN CD C -8.387 3.349 5.567 1.00 . A A . 8 GLN CD 1 1 1 114 1 1 8 GLN CG C -8.813 2.960 4.165 1.00 . A A . 8 GLN CG 1 1 1 115 1 1 8 GLN H H -7.513 0.656 2.746 1.00 . A A . 8 GLN H 1 1 1 116 1 1 8 GLN HA H -8.887 2.830 1.371 1.00 . A A . 8 GLN HA 1 1 1 117 1 1 8 GLN HB2 H -6.784 2.940 3.540 1.00 . A A . 8 GLN HB2 1 1 1 118 1 1 8 GLN HB3 H -7.719 4.301 2.935 1.00 . A A . 8 GLN HB3 1 1 1 119 1 1 8 GLN HE21 H -10.254 3.144 6.219 1.00 . A A . 8 GLN HE21 1 1 1 120 1 1 8 GLN HE22 H -9.092 3.622 7.405 1.00 . A A . 8 GLN HE22 1 1 1 121 1 1 8 GLN HG2 H -9.698 3.523 3.907 1.00 . A A . 8 GLN HG2 1 1 1 122 1 1 8 GLN HG3 H -9.043 1.905 4.154 1.00 . A A . 8 GLN HG3 1 1 1 123 1 1 8 GLN N N -8.055 1.064 2.038 1.00 . A A . 8 GLN N 1 1 1 124 1 1 8 GLN NE2 N -9.340 3.375 6.491 1.00 . A A . 8 GLN NE2 1 1 1 125 1 1 8 GLN O O -6.362 3.958 0.760 1.00 . A A . 8 GLN O 1 1 1 126 1 1 8 GLN OE1 O -7.213 3.623 5.818 1.00 . A A . 8 GLN OE1 1 1 1 127 1 1 9 SER C C -4.036 2.509 -0.171 1.00 . A A . 9 SER C 1 1 1 128 1 1 9 SER CA C -5.291 1.977 -0.857 1.00 . A A . 9 SER CA 1 1 1 129 1 1 9 SER CB C -5.717 2.931 -1.974 1.00 . A A . 9 SER CB 1 1 1 130 1 1 9 SER H H -6.782 0.921 0.212 1.00 . A A . 9 SER H 1 1 1 131 1 1 9 SER HA H -5.071 1.010 -1.284 1.00 . A A . 9 SER HA 1 1 1 132 1 1 9 SER HB2 H -6.710 2.668 -2.309 1.00 . A A . 9 SER HB2 1 1 1 133 1 1 9 SER HB3 H -5.721 3.943 -1.597 1.00 . A A . 9 SER HB3 1 1 1 134 1 1 9 SER HG H -5.280 2.460 -3.825 1.00 . A A . 9 SER HG 1 1 1 135 1 1 9 SER N N -6.375 1.806 0.103 1.00 . A A . 9 SER N 1 1 1 136 1 1 9 SER O O -3.720 3.695 -0.263 1.00 . A A . 9 SER O 1 1 1 137 1 1 9 SER OG O -4.829 2.855 -3.076 1.00 . A A . 9 SER OG 1 1 1 138 1 1 10 CYS C C -1.031 2.457 0.240 1.00 . A A . 10 CYS C 1 1 1 139 1 1 10 CYS CA C -2.106 2.000 1.222 1.00 . A A . 10 CYS CA 1 1 1 140 1 1 10 CYS CB C -1.586 0.824 2.052 1.00 . A A . 10 CYS CB 1 1 1 141 1 1 10 CYS H H -3.630 0.690 0.555 1.00 . A A . 10 CYS H 1 1 1 142 1 1 10 CYS HA H -2.344 2.819 1.883 1.00 . A A . 10 CYS HA 1 1 1 143 1 1 10 CYS HB2 H -2.400 0.420 2.638 1.00 . A A . 10 CYS HB2 1 1 1 144 1 1 10 CYS HB3 H -1.214 0.060 1.386 1.00 . A A . 10 CYS HB3 1 1 1 145 1 1 10 CYS N N -3.326 1.623 0.519 1.00 . A A . 10 CYS N 1 1 1 146 1 1 10 CYS O O -1.005 2.027 -0.913 1.00 . A A . 10 CYS O 1 1 1 147 1 1 10 CYS SG S -0.242 1.262 3.201 1.00 . A A . 10 CYS SG 1 1 1 148 1 1 11 PHE C C 2.173 2.970 -0.024 1.00 . A A . 11 PHE C 1 1 1 149 1 1 11 PHE CA C 0.930 3.850 -0.131 1.00 . A A . 11 PHE CA 1 1 1 150 1 1 11 PHE CB C 1.272 5.286 0.271 1.00 . A A . 11 PHE CB 1 1 1 151 1 1 11 PHE CD1 C -0.066 6.327 -1.579 1.00 . A A . 11 PHE CD1 1 1 1 152 1 1 11 PHE CD2 C -0.277 7.229 0.619 1.00 . A A . 11 PHE CD2 1 1 1 153 1 1 11 PHE CE1 C -0.969 7.261 -2.051 1.00 . A A . 11 PHE CE1 1 1 1 154 1 1 11 PHE CE2 C -1.181 8.164 0.152 1.00 . A A . 11 PHE CE2 1 1 1 155 1 1 11 PHE CG C 0.290 6.301 -0.240 1.00 . A A . 11 PHE CG 1 1 1 156 1 1 11 PHE CZ C -1.528 8.180 -1.184 1.00 . A A . 11 PHE CZ 1 1 1 157 1 1 11 PHE H H -0.219 3.638 1.634 1.00 . A A . 11 PHE H 1 1 1 158 1 1 11 PHE HA H 0.586 3.843 -1.154 1.00 . A A . 11 PHE HA 1 1 1 159 1 1 11 PHE HB2 H 1.291 5.356 1.348 1.00 . A A . 11 PHE HB2 1 1 1 160 1 1 11 PHE HB3 H 2.246 5.539 -0.119 1.00 . A A . 11 PHE HB3 1 1 1 161 1 1 11 PHE HD1 H 0.370 5.609 -2.258 1.00 . A A . 11 PHE HD1 1 1 1 162 1 1 11 PHE HD2 H -0.006 7.217 1.665 1.00 . A A . 11 PHE HD2 1 1 1 163 1 1 11 PHE HE1 H -1.238 7.271 -3.097 1.00 . A A . 11 PHE HE1 1 1 1 164 1 1 11 PHE HE2 H -1.616 8.881 0.832 1.00 . A A . 11 PHE HE2 1 1 1 165 1 1 11 PHE HZ H -2.234 8.910 -1.552 1.00 . A A . 11 PHE HZ 1 1 1 166 1 1 11 PHE N N -0.146 3.332 0.706 1.00 . A A . 11 PHE N 1 1 1 167 1 1 11 PHE O O 2.381 2.265 0.963 1.00 . A A . 11 PHE O 1 1 1 168 1 1 12 PRO C C 5.298 2.724 -0.120 1.00 . A A . 12 PRO C 1 1 1 169 1 1 12 PRO CA C 4.253 2.225 -1.112 1.00 . A A . 12 PRO CA 1 1 1 170 1 1 12 PRO CB C 4.744 2.421 -2.549 1.00 . A A . 12 PRO CB 1 1 1 171 1 1 12 PRO CD C 2.832 3.829 -2.275 1.00 . A A . 12 PRO CD 1 1 1 172 1 1 12 PRO CG C 4.159 3.724 -2.974 1.00 . A A . 12 PRO CG 1 1 1 173 1 1 12 PRO HA H 4.064 1.176 -0.935 1.00 . A A . 12 PRO HA 1 1 1 174 1 1 12 PRO HB2 H 5.824 2.450 -2.563 1.00 . A A . 12 PRO HB2 1 1 1 175 1 1 12 PRO HB3 H 4.392 1.610 -3.168 1.00 . A A . 12 PRO HB3 1 1 1 176 1 1 12 PRO HD2 H 2.621 4.856 -2.018 1.00 . A A . 12 PRO HD2 1 1 1 177 1 1 12 PRO HD3 H 2.045 3.424 -2.896 1.00 . A A . 12 PRO HD3 1 1 1 178 1 1 12 PRO HG2 H 4.806 4.533 -2.673 1.00 . A A . 12 PRO HG2 1 1 1 179 1 1 12 PRO HG3 H 4.019 3.731 -4.045 1.00 . A A . 12 PRO HG3 1 1 1 180 1 1 12 PRO N N 3.018 3.011 -1.065 1.00 . A A . 12 PRO N 1 1 1 181 1 1 12 PRO O O 5.356 3.916 0.186 1.00 . A A . 12 PRO O 1 1 1 182 1 1 13 ASP C C 8.266 1.103 1.345 1.00 . A A . 13 ASP C 1 1 1 183 1 1 13 ASP CA C 7.163 2.156 1.337 1.00 . A A . 13 ASP CA 1 1 1 184 1 1 13 ASP CB C 6.570 2.302 2.739 1.00 . A A . 13 ASP CB 1 1 1 185 1 1 13 ASP CG C 6.108 3.718 3.028 1.00 . A A . 13 ASP CG 1 1 1 186 1 1 13 ASP H H 6.022 0.875 0.096 1.00 . A A . 13 ASP H 1 1 1 187 1 1 13 ASP HA H 7.587 3.102 1.035 1.00 . A A . 13 ASP HA 1 1 1 188 1 1 13 ASP HB2 H 5.722 1.641 2.835 1.00 . A A . 13 ASP HB2 1 1 1 189 1 1 13 ASP HB3 H 7.318 2.030 3.469 1.00 . A A . 13 ASP HB3 1 1 1 190 1 1 13 ASP N N 6.119 1.808 0.379 1.00 . A A . 13 ASP N 1 1 1 191 1 1 13 ASP O O 8.416 0.354 2.311 1.00 . A A . 13 ASP O 1 1 1 192 1 1 13 ASP OD1 O 6.838 4.664 2.669 1.00 . A A . 13 ASP OD1 1 1 1 193 1 1 13 ASP OD2 O 5.015 3.877 3.612 1.00 . A A . 13 ASP OD2 1 1 2 194 1 1 1 GLY C C 8.848 -1.184 -0.611 1.00 . A A . 1 GLY C 1 1 2 195 1 1 1 GLY CA C 9.680 0.065 -0.398 1.00 . A A . 1 GLY CA 1 1 2 196 1 1 1 GLY H1 H 9.037 2.070 -0.178 1.00 . A A . 1 GLY H1 1 1 2 197 1 1 1 GLY HA2 H 10.093 0.376 -1.346 1.00 . A A . 1 GLY HA2 1 1 2 198 1 1 1 GLY HA3 H 10.490 -0.167 0.279 1.00 . A A . 1 GLY HA3 1 1 2 199 1 1 1 GLY N N 8.905 1.159 0.158 1.00 . A A . 1 GLY N 1 1 2 200 1 1 1 GLY O O 8.700 -1.654 -1.739 1.00 . A A . 1 GLY O 1 1 2 201 1 1 2 ARG C C 6.109 -2.616 -0.172 1.00 . A A . 2 ARG C 1 1 2 202 1 1 2 ARG CA C 7.487 -2.929 0.402 1.00 . A A . 2 ARG CA 1 1 2 203 1 1 2 ARG CB C 7.343 -3.558 1.789 1.00 . A A . 2 ARG CB 1 1 2 204 1 1 2 ARG CD C 8.152 -5.322 3.387 1.00 . A A . 2 ARG CD 1 1 2 205 1 1 2 ARG CG C 8.485 -4.493 2.157 1.00 . A A . 2 ARG CG 1 1 2 206 1 1 2 ARG CZ C 8.587 -5.183 5.803 1.00 . A A . 2 ARG CZ 1 1 2 207 1 1 2 ARG H H 8.461 -1.304 1.348 1.00 . A A . 2 ARG H 1 1 2 208 1 1 2 ARG HA H 7.986 -3.630 -0.251 1.00 . A A . 2 ARG HA 1 1 2 209 1 1 2 ARG HB2 H 7.302 -2.770 2.527 1.00 . A A . 2 ARG HB2 1 1 2 210 1 1 2 ARG HB3 H 6.422 -4.120 1.822 1.00 . A A . 2 ARG HB3 1 1 2 211 1 1 2 ARG HD2 H 7.106 -5.589 3.353 1.00 . A A . 2 ARG HD2 1 1 2 212 1 1 2 ARG HD3 H 8.753 -6.219 3.373 1.00 . A A . 2 ARG HD3 1 1 2 213 1 1 2 ARG HE H 8.466 -3.616 4.575 1.00 . A A . 2 ARG HE 1 1 2 214 1 1 2 ARG HG2 H 8.672 -5.159 1.328 1.00 . A A . 2 ARG HG2 1 1 2 215 1 1 2 ARG HG3 H 9.368 -3.905 2.357 1.00 . A A . 2 ARG HG3 1 1 2 216 1 1 2 ARG HH11 H 8.347 -7.057 5.088 1.00 . A A . 2 ARG HH11 1 1 2 217 1 1 2 ARG HH12 H 8.654 -6.945 6.790 1.00 . A A . 2 ARG HH12 1 1 2 218 1 1 2 ARG HH21 H 8.871 -3.456 6.814 1.00 . A A . 2 ARG HH21 1 1 2 219 1 1 2 ARG HH22 H 8.951 -4.896 7.770 1.00 . A A . 2 ARG HH22 1 1 2 220 1 1 2 ARG N N 8.306 -1.725 0.475 1.00 . A A . 2 ARG N 1 1 2 221 1 1 2 ARG NE N 8.415 -4.593 4.625 1.00 . A A . 2 ARG NE 1 1 2 222 1 1 2 ARG NH1 N 8.523 -6.504 5.902 1.00 . A A . 2 ARG NH1 1 1 2 223 1 1 2 ARG NH2 N 8.823 -4.451 6.884 1.00 . A A . 2 ARG NH2 1 1 2 224 1 1 2 ARG O O 5.653 -1.473 -0.167 1.00 . A A . 2 ARG O 1 1 2 225 1 1 3 PRO C C 3.030 -3.204 -0.220 1.00 . A A . 3 PRO C 1 1 2 226 1 1 3 PRO CA C 4.093 -3.515 -1.267 1.00 . A A . 3 PRO CA 1 1 2 227 1 1 3 PRO CB C 3.839 -4.886 -1.898 1.00 . A A . 3 PRO CB 1 1 2 228 1 1 3 PRO CD C 5.912 -5.045 -0.719 1.00 . A A . 3 PRO CD 1 1 2 229 1 1 3 PRO CG C 4.690 -5.827 -1.118 1.00 . A A . 3 PRO CG 1 1 2 230 1 1 3 PRO HA H 4.075 -2.755 -2.034 1.00 . A A . 3 PRO HA 1 1 2 231 1 1 3 PRO HB2 H 2.791 -5.136 -1.811 1.00 . A A . 3 PRO HB2 1 1 2 232 1 1 3 PRO HB3 H 4.124 -4.866 -2.939 1.00 . A A . 3 PRO HB3 1 1 2 233 1 1 3 PRO HD2 H 6.261 -5.360 0.253 1.00 . A A . 3 PRO HD2 1 1 2 234 1 1 3 PRO HD3 H 6.692 -5.161 -1.458 1.00 . A A . 3 PRO HD3 1 1 2 235 1 1 3 PRO HG2 H 4.158 -6.164 -0.241 1.00 . A A . 3 PRO HG2 1 1 2 236 1 1 3 PRO HG3 H 4.970 -6.667 -1.736 1.00 . A A . 3 PRO HG3 1 1 2 237 1 1 3 PRO N N 5.429 -3.654 -0.679 1.00 . A A . 3 PRO N 1 1 2 238 1 1 3 PRO O O 2.852 -3.954 0.741 1.00 . A A . 3 PRO O 1 1 2 239 1 1 4 CYS C C -0.098 -1.772 -0.143 1.00 . A A . 4 CYS C 1 1 2 240 1 1 4 CYS CA C 1.275 -1.685 0.515 1.00 . A A . 4 CYS CA 1 1 2 241 1 1 4 CYS CB C 1.530 -0.258 1.005 1.00 . A A . 4 CYS CB 1 1 2 242 1 1 4 CYS H H 2.510 -1.539 -1.198 1.00 . A A . 4 CYS H 1 1 2 243 1 1 4 CYS HA H 1.299 -2.356 1.360 1.00 . A A . 4 CYS HA 1 1 2 244 1 1 4 CYS HB2 H 2.595 -0.092 1.067 1.00 . A A . 4 CYS HB2 1 1 2 245 1 1 4 CYS HB3 H 1.103 0.438 0.298 1.00 . A A . 4 CYS HB3 1 1 2 246 1 1 4 CYS N N 2.322 -2.095 -0.412 1.00 . A A . 4 CYS N 1 1 2 247 1 1 4 CYS O O -0.513 -0.862 -0.863 1.00 . A A . 4 CYS O 1 1 2 248 1 1 4 CYS SG S 0.815 0.105 2.641 1.00 . A A . 4 CYS SG 1 1 2 249 1 1 5 TYR C C -3.173 -3.234 0.638 1.00 . A A . 5 TYR C 1 1 2 250 1 1 5 TYR CA C -2.126 -3.079 -0.461 1.00 . A A . 5 TYR CA 1 1 2 251 1 1 5 TYR CB C -2.130 -4.314 -1.363 1.00 . A A . 5 TYR CB 1 1 2 252 1 1 5 TYR CD1 C -1.585 -3.477 -3.681 1.00 . A A . 5 TYR CD1 1 1 2 253 1 1 5 TYR CD2 C 0.041 -4.805 -2.554 1.00 . A A . 5 TYR CD2 1 1 2 254 1 1 5 TYR CE1 C -0.745 -3.368 -4.773 1.00 . A A . 5 TYR CE1 1 1 2 255 1 1 5 TYR CE2 C 0.888 -4.700 -3.640 1.00 . A A . 5 TYR CE2 1 1 2 256 1 1 5 TYR CG C -1.208 -4.197 -2.554 1.00 . A A . 5 TYR CG 1 1 2 257 1 1 5 TYR CZ C 0.490 -3.981 -4.748 1.00 . A A . 5 TYR CZ 1 1 2 258 1 1 5 TYR H H -0.417 -3.561 0.689 1.00 . A A . 5 TYR H 1 1 2 259 1 1 5 TYR HA H -2.371 -2.210 -1.056 1.00 . A A . 5 TYR HA 1 1 2 260 1 1 5 TYR HB2 H -1.819 -5.172 -0.787 1.00 . A A . 5 TYR HB2 1 1 2 261 1 1 5 TYR HB3 H -3.132 -4.478 -1.732 1.00 . A A . 5 TYR HB3 1 1 2 262 1 1 5 TYR HD1 H -2.553 -2.997 -3.698 1.00 . A A . 5 TYR HD1 1 1 2 263 1 1 5 TYR HD2 H 0.351 -5.368 -1.685 1.00 . A A . 5 TYR HD2 1 1 2 264 1 1 5 TYR HE1 H -1.057 -2.804 -5.641 1.00 . A A . 5 TYR HE1 1 1 2 265 1 1 5 TYR HE2 H 1.855 -5.180 -3.621 1.00 . A A . 5 TYR HE2 1 1 2 266 1 1 5 TYR HH H 1.447 -2.947 -6.055 1.00 . A A . 5 TYR HH 1 1 2 267 1 1 5 TYR N N -0.800 -2.872 0.109 1.00 . A A . 5 TYR N 1 1 2 268 1 1 5 TYR O O -3.225 -4.255 1.324 1.00 . A A . 5 TYR O 1 1 2 269 1 1 5 TYR OH O 1.329 -3.873 -5.833 1.00 . A A . 5 TYR OH 1 1 2 270 1 1 6 THR C C -6.378 -1.734 1.250 1.00 . A A . 6 THR C 1 1 2 271 1 1 6 THR CA C -5.054 -2.233 1.816 1.00 . A A . 6 THR CA 1 1 2 272 1 1 6 THR CB C -4.671 -1.373 3.034 1.00 . A A . 6 THR CB 1 1 2 273 1 1 6 THR CG2 C -3.496 -1.985 3.781 1.00 . A A . 6 THR CG2 1 1 2 274 1 1 6 THR H H -3.917 -1.426 0.223 1.00 . A A . 6 THR H 1 1 2 275 1 1 6 THR HA H -5.176 -3.254 2.146 1.00 . A A . 6 THR HA 1 1 2 276 1 1 6 THR HB H -5.518 -1.325 3.702 1.00 . A A . 6 THR HB 1 1 2 277 1 1 6 THR HG1 H -5.125 0.401 2.300 1.00 . A A . 6 THR HG1 1 1 2 278 1 1 6 THR HG21 H -3.092 -1.261 4.474 1.00 . A A . 6 THR HG21 1 1 2 279 1 1 6 THR HG22 H -2.731 -2.273 3.076 1.00 . A A . 6 THR HG22 1 1 2 280 1 1 6 THR HG23 H -3.830 -2.854 4.327 1.00 . A A . 6 THR HG23 1 1 2 281 1 1 6 THR N N -4.009 -2.213 0.800 1.00 . A A . 6 THR N 1 1 2 282 1 1 6 THR O O -6.481 -1.419 0.064 1.00 . A A . 6 THR O 1 1 2 283 1 1 6 THR OG1 O -4.335 -0.046 2.611 1.00 . A A . 6 THR OG1 1 1 2 284 1 1 7 LEU C C -8.670 0.272 1.287 1.00 . A A . 7 LEU C 1 1 2 285 1 1 7 LEU CA C -8.711 -1.198 1.693 1.00 . A A . 7 LEU CA 1 1 2 286 1 1 7 LEU CB C -9.722 -1.398 2.824 1.00 . A A . 7 LEU CB 1 1 2 287 1 1 7 LEU CD1 C -9.637 -3.829 3.433 1.00 . A A . 7 LEU CD1 1 1 2 288 1 1 7 LEU CD2 C -11.804 -2.586 3.558 1.00 . A A . 7 LEU CD2 1 1 2 289 1 1 7 LEU CG C -10.482 -2.725 2.816 1.00 . A A . 7 LEU CG 1 1 2 290 1 1 7 LEU H H -7.249 -1.925 3.040 1.00 . A A . 7 LEU H 1 1 2 291 1 1 7 LEU HA H -9.016 -1.785 0.840 1.00 . A A . 7 LEU HA 1 1 2 292 1 1 7 LEU HB2 H -9.189 -1.329 3.759 1.00 . A A . 7 LEU HB2 1 1 2 293 1 1 7 LEU HB3 H -10.447 -0.600 2.764 1.00 . A A . 7 LEU HB3 1 1 2 294 1 1 7 LEU HD11 H -8.651 -3.816 2.993 1.00 . A A . 7 LEU HD11 1 1 2 295 1 1 7 LEU HD12 H -10.102 -4.785 3.246 1.00 . A A . 7 LEU HD12 1 1 2 296 1 1 7 LEU HD13 H -9.558 -3.669 4.498 1.00 . A A . 7 LEU HD13 1 1 2 297 1 1 7 LEU HD21 H -12.025 -3.508 4.076 1.00 . A A . 7 LEU HD21 1 1 2 298 1 1 7 LEU HD22 H -12.593 -2.373 2.851 1.00 . A A . 7 LEU HD22 1 1 2 299 1 1 7 LEU HD23 H -11.733 -1.779 4.271 1.00 . A A . 7 LEU HD23 1 1 2 300 1 1 7 LEU HG H -10.699 -3.003 1.794 1.00 . A A . 7 LEU HG 1 1 2 301 1 1 7 LEU N N -7.391 -1.661 2.107 1.00 . A A . 7 LEU N 1 1 2 302 1 1 7 LEU O O -9.372 0.691 0.367 1.00 . A A . 7 LEU O 1 1 2 303 1 1 8 GLN C C -6.563 2.724 0.717 1.00 . A A . 8 GLN C 1 1 2 304 1 1 8 GLN CA C -7.709 2.472 1.690 1.00 . A A . 8 GLN CA 1 1 2 305 1 1 8 GLN CB C -7.481 3.258 2.982 1.00 . A A . 8 GLN CB 1 1 2 306 1 1 8 GLN CD C -9.580 4.660 3.067 1.00 . A A . 8 GLN CD 1 1 2 307 1 1 8 GLN CG C -8.762 3.574 3.737 1.00 . A A . 8 GLN CG 1 1 2 308 1 1 8 GLN H H -7.310 0.656 2.701 1.00 . A A . 8 GLN H 1 1 2 309 1 1 8 GLN HA H -8.630 2.804 1.234 1.00 . A A . 8 GLN HA 1 1 2 310 1 1 8 GLN HB2 H -6.839 2.681 3.631 1.00 . A A . 8 GLN HB2 1 1 2 311 1 1 8 GLN HB3 H -6.991 4.190 2.740 1.00 . A A . 8 GLN HB3 1 1 2 312 1 1 8 GLN HE21 H -8.267 6.038 3.642 1.00 . A A . 8 GLN HE21 1 1 2 313 1 1 8 GLN HE22 H -9.615 6.619 2.732 1.00 . A A . 8 GLN HE22 1 1 2 314 1 1 8 GLN HG2 H -9.362 2.678 3.794 1.00 . A A . 8 GLN HG2 1 1 2 315 1 1 8 GLN HG3 H -8.506 3.899 4.734 1.00 . A A . 8 GLN HG3 1 1 2 316 1 1 8 GLN N N -7.842 1.049 1.979 1.00 . A A . 8 GLN N 1 1 2 317 1 1 8 GLN NE2 N -9.107 5.898 3.155 1.00 . A A . 8 GLN NE2 1 1 2 318 1 1 8 GLN O O -6.078 3.849 0.591 1.00 . A A . 8 GLN O 1 1 2 319 1 1 8 GLN OE1 O -10.626 4.391 2.476 1.00 . A A . 8 GLN OE1 1 1 2 320 1 1 9 SER C C -3.859 2.536 -0.325 1.00 . A A . 9 SER C 1 1 2 321 1 1 9 SER CA C -5.038 1.776 -0.927 1.00 . A A . 9 SER CA 1 1 2 322 1 1 9 SER CB C -5.514 2.477 -2.200 1.00 . A A . 9 SER CB 1 1 2 323 1 1 9 SER H H -6.558 0.799 0.176 1.00 . A A . 9 SER H 1 1 2 324 1 1 9 SER HA H -4.716 0.776 -1.175 1.00 . A A . 9 SER HA 1 1 2 325 1 1 9 SER HB2 H -4.751 2.396 -2.960 1.00 . A A . 9 SER HB2 1 1 2 326 1 1 9 SER HB3 H -6.422 2.006 -2.550 1.00 . A A . 9 SER HB3 1 1 2 327 1 1 9 SER HG H -6.711 4.023 -2.084 1.00 . A A . 9 SER HG 1 1 2 328 1 1 9 SER N N -6.131 1.670 0.031 1.00 . A A . 9 SER N 1 1 2 329 1 1 9 SER O O -3.469 3.594 -0.820 1.00 . A A . 9 SER O 1 1 2 330 1 1 9 SER OG O -5.775 3.850 -1.961 1.00 . A A . 9 SER OG 1 1 2 331 1 1 10 CYS C C -0.968 2.726 0.479 1.00 . A A . 10 CYS C 1 1 2 332 1 1 10 CYS CA C -2.164 2.614 1.420 1.00 . A A . 10 CYS CA 1 1 2 333 1 1 10 CYS CB C -1.776 1.812 2.664 1.00 . A A . 10 CYS CB 1 1 2 334 1 1 10 CYS H H -3.654 1.146 1.097 1.00 . A A . 10 CYS H 1 1 2 335 1 1 10 CYS HA H -2.463 3.607 1.722 1.00 . A A . 10 CYS HA 1 1 2 336 1 1 10 CYS HB2 H -0.957 2.309 3.161 1.00 . A A . 10 CYS HB2 1 1 2 337 1 1 10 CYS HB3 H -2.622 1.767 3.332 1.00 . A A . 10 CYS HB3 1 1 2 338 1 1 10 CYS N N -3.297 1.990 0.748 1.00 . A A . 10 CYS N 1 1 2 339 1 1 10 CYS O O -0.668 1.800 -0.273 1.00 . A A . 10 CYS O 1 1 2 340 1 1 10 CYS SG S -1.254 0.103 2.312 1.00 . A A . 10 CYS SG 1 1 2 341 1 1 11 PHE C C 1.997 3.122 0.014 1.00 . A A . 11 PHE C 1 1 2 342 1 1 11 PHE CA C 0.875 4.101 -0.319 1.00 . A A . 11 PHE CA 1 1 2 343 1 1 11 PHE CB C 1.372 5.539 -0.153 1.00 . A A . 11 PHE CB 1 1 2 344 1 1 11 PHE CD1 C -0.643 6.615 -1.191 1.00 . A A . 11 PHE CD1 1 1 2 345 1 1 11 PHE CD2 C 1.517 7.311 -1.924 1.00 . A A . 11 PHE CD2 1 1 2 346 1 1 11 PHE CE1 C -1.232 7.504 -2.069 1.00 . A A . 11 PHE CE1 1 1 2 347 1 1 11 PHE CE2 C 0.934 8.203 -2.806 1.00 . A A . 11 PHE CE2 1 1 2 348 1 1 11 PHE CG C 0.735 6.507 -1.109 1.00 . A A . 11 PHE CG 1 1 2 349 1 1 11 PHE CZ C -0.442 8.300 -2.877 1.00 . A A . 11 PHE CZ 1 1 2 350 1 1 11 PHE H H -0.576 4.568 1.150 1.00 . A A . 11 PHE H 1 1 2 351 1 1 11 PHE HA H 0.573 3.950 -1.344 1.00 . A A . 11 PHE HA 1 1 2 352 1 1 11 PHE HB2 H 1.157 5.874 0.850 1.00 . A A . 11 PHE HB2 1 1 2 353 1 1 11 PHE HB3 H 2.440 5.564 -0.315 1.00 . A A . 11 PHE HB3 1 1 2 354 1 1 11 PHE HD1 H -1.262 5.994 -0.559 1.00 . A A . 11 PHE HD1 1 1 2 355 1 1 11 PHE HD2 H 2.593 7.235 -1.868 1.00 . A A . 11 PHE HD2 1 1 2 356 1 1 11 PHE HE1 H -2.307 7.579 -2.123 1.00 . A A . 11 PHE HE1 1 1 2 357 1 1 11 PHE HE2 H 1.553 8.823 -3.435 1.00 . A A . 11 PHE HE2 1 1 2 358 1 1 11 PHE HZ H -0.899 8.996 -3.565 1.00 . A A . 11 PHE HZ 1 1 2 359 1 1 11 PHE N N -0.288 3.868 0.529 1.00 . A A . 11 PHE N 1 1 2 360 1 1 11 PHE O O 2.080 2.587 1.120 1.00 . A A . 11 PHE O 1 1 2 361 1 1 12 PRO C C 5.070 2.514 0.150 1.00 . A A . 12 PRO C 1 1 2 362 1 1 12 PRO CA C 4.014 1.964 -0.801 1.00 . A A . 12 PRO CA 1 1 2 363 1 1 12 PRO CB C 4.580 1.844 -2.218 1.00 . A A . 12 PRO CB 1 1 2 364 1 1 12 PRO CD C 2.843 3.483 -2.308 1.00 . A A . 12 PRO CD 1 1 2 365 1 1 12 PRO CG C 4.174 3.106 -2.897 1.00 . A A . 12 PRO CG 1 1 2 366 1 1 12 PRO HA H 3.691 0.993 -0.457 1.00 . A A . 12 PRO HA 1 1 2 367 1 1 12 PRO HB2 H 5.656 1.749 -2.171 1.00 . A A . 12 PRO HB2 1 1 2 368 1 1 12 PRO HB3 H 4.157 0.979 -2.706 1.00 . A A . 12 PRO HB3 1 1 2 369 1 1 12 PRO HD2 H 2.748 4.557 -2.246 1.00 . A A . 12 PRO HD2 1 1 2 370 1 1 12 PRO HD3 H 2.039 3.065 -2.896 1.00 . A A . 12 PRO HD3 1 1 2 371 1 1 12 PRO HG2 H 4.903 3.879 -2.703 1.00 . A A . 12 PRO HG2 1 1 2 372 1 1 12 PRO HG3 H 4.079 2.936 -3.959 1.00 . A A . 12 PRO HG3 1 1 2 373 1 1 12 PRO N N 2.881 2.880 -0.965 1.00 . A A . 12 PRO N 1 1 2 374 1 1 12 PRO O O 5.064 3.700 0.482 1.00 . A A . 12 PRO O 1 1 2 375 1 1 13 ASP C C 8.265 1.151 1.331 1.00 . A A . 13 ASP C 1 1 2 376 1 1 13 ASP CA C 7.041 2.045 1.499 1.00 . A A . 13 ASP CA 1 1 2 377 1 1 13 ASP CB C 6.549 1.990 2.946 1.00 . A A . 13 ASP CB 1 1 2 378 1 1 13 ASP CG C 5.637 3.150 3.293 1.00 . A A . 13 ASP CG 1 1 2 379 1 1 13 ASP H H 5.928 0.714 0.287 1.00 . A A . 13 ASP H 1 1 2 380 1 1 13 ASP HA H 7.318 3.062 1.262 1.00 . A A . 13 ASP HA 1 1 2 381 1 1 13 ASP HB2 H 6.004 1.070 3.099 1.00 . A A . 13 ASP HB2 1 1 2 382 1 1 13 ASP HB3 H 7.400 2.013 3.610 1.00 . A A . 13 ASP HB3 1 1 2 383 1 1 13 ASP N N 5.976 1.646 0.586 1.00 . A A . 13 ASP N 1 1 2 384 1 1 13 ASP O O 8.656 0.436 2.255 1.00 . A A . 13 ASP O 1 1 2 385 1 1 13 ASP OD1 O 6.142 4.285 3.422 1.00 . A A . 13 ASP OD1 1 1 2 386 1 1 13 ASP OD2 O 4.417 2.924 3.436 1.00 . A A . 13 ASP OD2 1 1 3 387 1 1 1 GLY C C 9.104 -0.790 -0.584 1.00 . A A . 1 GLY C 1 1 3 388 1 1 1 GLY CA C 9.865 0.277 0.178 1.00 . A A . 1 GLY CA 1 1 3 389 1 1 1 GLY H1 H 9.282 2.216 0.796 1.00 . A A . 1 GLY H1 1 1 3 390 1 1 1 GLY HA2 H 10.557 0.761 -0.495 1.00 . A A . 1 GLY HA2 1 1 3 391 1 1 1 GLY HA3 H 10.423 -0.195 0.974 1.00 . A A . 1 GLY HA3 1 1 3 392 1 1 1 GLY N N 8.989 1.282 0.752 1.00 . A A . 1 GLY N 1 1 3 393 1 1 1 GLY O O 9.088 -0.790 -1.815 1.00 . A A . 1 GLY O 1 1 3 394 1 1 2 ARG C C 6.248 -2.374 -0.651 1.00 . A A . 2 ARG C 1 1 3 395 1 1 2 ARG CA C 7.708 -2.779 -0.466 1.00 . A A . 2 ARG CA 1 1 3 396 1 1 2 ARG CB C 7.791 -4.045 0.389 1.00 . A A . 2 ARG CB 1 1 3 397 1 1 2 ARG CD C 8.881 -6.299 0.600 1.00 . A A . 2 ARG CD 1 1 3 398 1 1 2 ARG CG C 9.055 -4.856 0.152 1.00 . A A . 2 ARG CG 1 1 3 399 1 1 2 ARG CZ C 8.760 -8.537 -0.411 1.00 . A A . 2 ARG CZ 1 1 3 400 1 1 2 ARG H H 8.521 -1.647 1.126 1.00 . A A . 2 ARG H 1 1 3 401 1 1 2 ARG HA H 8.138 -2.981 -1.435 1.00 . A A . 2 ARG HA 1 1 3 402 1 1 2 ARG HB2 H 7.760 -3.764 1.431 1.00 . A A . 2 ARG HB2 1 1 3 403 1 1 2 ARG HB3 H 6.941 -4.671 0.168 1.00 . A A . 2 ARG HB3 1 1 3 404 1 1 2 ARG HD2 H 9.733 -6.580 1.201 1.00 . A A . 2 ARG HD2 1 1 3 405 1 1 2 ARG HD3 H 7.982 -6.373 1.192 1.00 . A A . 2 ARG HD3 1 1 3 406 1 1 2 ARG HE H 8.722 -6.823 -1.430 1.00 . A A . 2 ARG HE 1 1 3 407 1 1 2 ARG HG2 H 9.288 -4.844 -0.903 1.00 . A A . 2 ARG HG2 1 1 3 408 1 1 2 ARG HG3 H 9.867 -4.411 0.707 1.00 . A A . 2 ARG HG3 1 1 3 409 1 1 2 ARG HH11 H 8.906 -8.521 1.604 1.00 . A A . 2 ARG HH11 1 1 3 410 1 1 2 ARG HH12 H 8.820 -10.092 0.880 1.00 . A A . 2 ARG HH12 1 1 3 411 1 1 2 ARG HH21 H 8.609 -8.886 -2.396 1.00 . A A . 2 ARG HH21 1 1 3 412 1 1 2 ARG HH22 H 8.652 -10.299 -1.395 1.00 . A A . 2 ARG HH22 1 1 3 413 1 1 2 ARG N N 8.471 -1.700 0.149 1.00 . A A . 2 ARG N 1 1 3 414 1 1 2 ARG NE N 8.779 -7.215 -0.533 1.00 . A A . 2 ARG NE 1 1 3 415 1 1 2 ARG NH1 N 8.835 -9.095 0.790 1.00 . A A . 2 ARG NH1 1 1 3 416 1 1 2 ARG NH2 N 8.665 -9.304 -1.490 1.00 . A A . 2 ARG NH2 1 1 3 417 1 1 2 ARG O O 5.739 -1.470 0.013 1.00 . A A . 2 ARG O 1 1 3 418 1 1 3 PRO C C 3.225 -3.206 -0.731 1.00 . A A . 3 PRO C 1 1 3 419 1 1 3 PRO CA C 4.146 -2.785 -1.871 1.00 . A A . 3 PRO CA 1 1 3 420 1 1 3 PRO CB C 3.875 -3.631 -3.117 1.00 . A A . 3 PRO CB 1 1 3 421 1 1 3 PRO CD C 6.099 -4.146 -2.406 1.00 . A A . 3 PRO CD 1 1 3 422 1 1 3 PRO CG C 4.875 -4.734 -3.051 1.00 . A A . 3 PRO CG 1 1 3 423 1 1 3 PRO HA H 3.982 -1.742 -2.099 1.00 . A A . 3 PRO HA 1 1 3 424 1 1 3 PRO HB2 H 2.864 -4.011 -3.085 1.00 . A A . 3 PRO HB2 1 1 3 425 1 1 3 PRO HB3 H 4.011 -3.029 -4.003 1.00 . A A . 3 PRO HB3 1 1 3 426 1 1 3 PRO HD2 H 6.595 -4.885 -1.795 1.00 . A A . 3 PRO HD2 1 1 3 427 1 1 3 PRO HD3 H 6.772 -3.759 -3.157 1.00 . A A . 3 PRO HD3 1 1 3 428 1 1 3 PRO HG2 H 4.488 -5.545 -2.453 1.00 . A A . 3 PRO HG2 1 1 3 429 1 1 3 PRO HG3 H 5.106 -5.079 -4.049 1.00 . A A . 3 PRO HG3 1 1 3 430 1 1 3 PRO N N 5.556 -3.056 -1.576 1.00 . A A . 3 PRO N 1 1 3 431 1 1 3 PRO O O 3.414 -4.259 -0.122 1.00 . A A . 3 PRO O 1 1 3 432 1 1 4 CYS C C -0.146 -2.755 0.072 1.00 . A A . 4 CYS C 1 1 3 433 1 1 4 CYS CA C 1.276 -2.661 0.621 1.00 . A A . 4 CYS CA 1 1 3 434 1 1 4 CYS CB C 1.347 -1.578 1.699 1.00 . A A . 4 CYS CB 1 1 3 435 1 1 4 CYS H H 2.127 -1.551 -0.967 1.00 . A A . 4 CYS H 1 1 3 436 1 1 4 CYS HA H 1.542 -3.611 1.059 1.00 . A A . 4 CYS HA 1 1 3 437 1 1 4 CYS HB2 H 0.810 -1.917 2.573 1.00 . A A . 4 CYS HB2 1 1 3 438 1 1 4 CYS HB3 H 2.381 -1.409 1.961 1.00 . A A . 4 CYS HB3 1 1 3 439 1 1 4 CYS N N 2.227 -2.376 -0.447 1.00 . A A . 4 CYS N 1 1 3 440 1 1 4 CYS O O -0.498 -2.071 -0.890 1.00 . A A . 4 CYS O 1 1 3 441 1 1 4 CYS SG S 0.632 0.021 1.196 1.00 . A A . 4 CYS SG 1 1 3 442 1 1 5 TYR C C -3.308 -3.443 1.387 1.00 . A A . 5 TYR C 1 1 3 443 1 1 5 TYR CA C -2.339 -3.791 0.262 1.00 . A A . 5 TYR CA 1 1 3 444 1 1 5 TYR CB C -2.565 -5.234 -0.194 1.00 . A A . 5 TYR CB 1 1 3 445 1 1 5 TYR CD1 C -1.507 -5.146 -2.485 1.00 . A A . 5 TYR CD1 1 1 3 446 1 1 5 TYR CD2 C -0.661 -6.728 -0.915 1.00 . A A . 5 TYR CD2 1 1 3 447 1 1 5 TYR CE1 C -0.590 -5.579 -3.422 1.00 . A A . 5 TYR CE1 1 1 3 448 1 1 5 TYR CE2 C 0.260 -7.166 -1.846 1.00 . A A . 5 TYR CE2 1 1 3 449 1 1 5 TYR CG C -1.559 -5.711 -1.216 1.00 . A A . 5 TYR CG 1 1 3 450 1 1 5 TYR CZ C 0.292 -6.589 -3.098 1.00 . A A . 5 TYR CZ 1 1 3 451 1 1 5 TYR H H -0.619 -4.124 1.450 1.00 . A A . 5 TYR H 1 1 3 452 1 1 5 TYR HA H -2.520 -3.129 -0.572 1.00 . A A . 5 TYR HA 1 1 3 453 1 1 5 TYR HB2 H -2.502 -5.889 0.663 1.00 . A A . 5 TYR HB2 1 1 3 454 1 1 5 TYR HB3 H -3.549 -5.315 -0.632 1.00 . A A . 5 TYR HB3 1 1 3 455 1 1 5 TYR HD1 H -2.199 -4.355 -2.736 1.00 . A A . 5 TYR HD1 1 1 3 456 1 1 5 TYR HD2 H -0.689 -7.177 0.067 1.00 . A A . 5 TYR HD2 1 1 3 457 1 1 5 TYR HE1 H -0.565 -5.127 -4.404 1.00 . A A . 5 TYR HE1 1 1 3 458 1 1 5 TYR HE2 H 0.951 -7.957 -1.593 1.00 . A A . 5 TYR HE2 1 1 3 459 1 1 5 TYR HH H 0.884 -6.827 -4.912 1.00 . A A . 5 TYR HH 1 1 3 460 1 1 5 TYR N N -0.958 -3.606 0.689 1.00 . A A . 5 TYR N 1 1 3 461 1 1 5 TYR O O -3.180 -3.934 2.509 1.00 . A A . 5 TYR O 1 1 3 462 1 1 5 TYR OH O 1.207 -7.023 -4.030 1.00 . A A . 5 TYR OH 1 1 3 463 1 1 6 THR C C -6.595 -1.817 1.392 1.00 . A A . 6 THR C 1 1 3 464 1 1 6 THR CA C -5.273 -2.175 2.062 1.00 . A A . 6 THR CA 1 1 3 465 1 1 6 THR CB C -4.782 -0.967 2.880 1.00 . A A . 6 THR CB 1 1 3 466 1 1 6 THR CG2 C -3.660 -1.373 3.823 1.00 . A A . 6 THR CG2 1 1 3 467 1 1 6 THR H H -4.331 -2.234 0.168 1.00 . A A . 6 THR H 1 1 3 468 1 1 6 THR HA H -5.436 -3.000 2.740 1.00 . A A . 6 THR HA 1 1 3 469 1 1 6 THR HB H -5.607 -0.589 3.467 1.00 . A A . 6 THR HB 1 1 3 470 1 1 6 THR HG1 H -4.211 0.882 2.496 1.00 . A A . 6 THR HG1 1 1 3 471 1 1 6 THR HG21 H -4.024 -2.113 4.519 1.00 . A A . 6 THR HG21 1 1 3 472 1 1 6 THR HG22 H -3.315 -0.505 4.367 1.00 . A A . 6 THR HG22 1 1 3 473 1 1 6 THR HG23 H -2.842 -1.788 3.253 1.00 . A A . 6 THR HG23 1 1 3 474 1 1 6 THR N N -4.282 -2.591 1.079 1.00 . A A . 6 THR N 1 1 3 475 1 1 6 THR O O -6.736 -1.932 0.173 1.00 . A A . 6 THR O 1 1 3 476 1 1 6 THR OG1 O -4.323 0.066 2.001 1.00 . A A . 6 THR OG1 1 1 3 477 1 1 7 LEU C C -8.872 0.441 1.193 1.00 . A A . 7 LEU C 1 1 3 478 1 1 7 LEU CA C -8.872 -1.006 1.679 1.00 . A A . 7 LEU CA 1 1 3 479 1 1 7 LEU CB C -9.939 -1.193 2.757 1.00 . A A . 7 LEU CB 1 1 3 480 1 1 7 LEU CD1 C -11.469 -2.739 1.512 1.00 . A A . 7 LEU CD1 1 1 3 481 1 1 7 LEU CD2 C -9.633 -3.675 2.930 1.00 . A A . 7 LEU CD2 1 1 3 482 1 1 7 LEU CG C -10.645 -2.549 2.776 1.00 . A A . 7 LEU CG 1 1 3 483 1 1 7 LEU H H -7.389 -1.312 3.156 1.00 . A A . 7 LEU H 1 1 3 484 1 1 7 LEU HA H -9.098 -1.653 0.844 1.00 . A A . 7 LEU HA 1 1 3 485 1 1 7 LEU HB2 H -9.467 -1.053 3.718 1.00 . A A . 7 LEU HB2 1 1 3 486 1 1 7 LEU HB3 H -10.692 -0.429 2.615 1.00 . A A . 7 LEU HB3 1 1 3 487 1 1 7 LEU HD11 H -12.061 -3.636 1.599 1.00 . A A . 7 LEU HD11 1 1 3 488 1 1 7 LEU HD12 H -10.808 -2.826 0.662 1.00 . A A . 7 LEU HD12 1 1 3 489 1 1 7 LEU HD13 H -12.120 -1.888 1.375 1.00 . A A . 7 LEU HD13 1 1 3 490 1 1 7 LEU HD21 H -8.960 -3.445 3.742 1.00 . A A . 7 LEU HD21 1 1 3 491 1 1 7 LEU HD22 H -9.069 -3.779 2.013 1.00 . A A . 7 LEU HD22 1 1 3 492 1 1 7 LEU HD23 H -10.151 -4.599 3.142 1.00 . A A . 7 LEU HD23 1 1 3 493 1 1 7 LEU HG H -11.319 -2.587 3.621 1.00 . A A . 7 LEU HG 1 1 3 494 1 1 7 LEU N N -7.561 -1.382 2.194 1.00 . A A . 7 LEU N 1 1 3 495 1 1 7 LEU O O -9.540 0.777 0.216 1.00 . A A . 7 LEU O 1 1 3 496 1 1 8 GLN C C -6.843 2.950 0.590 1.00 . A A . 8 GLN C 1 1 3 497 1 1 8 GLN CA C -8.027 2.700 1.518 1.00 . A A . 8 GLN CA 1 1 3 498 1 1 8 GLN CB C -7.897 3.564 2.773 1.00 . A A . 8 GLN CB 1 1 3 499 1 1 8 GLN CD C -9.923 5.045 3.064 1.00 . A A . 8 GLN CD 1 1 3 500 1 1 8 GLN CG C -9.213 3.780 3.502 1.00 . A A . 8 GLN CG 1 1 3 501 1 1 8 GLN H H -7.606 0.961 2.650 1.00 . A A . 8 GLN H 1 1 3 502 1 1 8 GLN HA H -8.937 2.967 1.001 1.00 . A A . 8 GLN HA 1 1 3 503 1 1 8 GLN HB2 H -7.207 3.088 3.454 1.00 . A A . 8 GLN HB2 1 1 3 504 1 1 8 GLN HB3 H -7.505 4.530 2.492 1.00 . A A . 8 GLN HB3 1 1 3 505 1 1 8 GLN HE21 H -9.686 5.835 4.874 1.00 . A A . 8 GLN HE21 1 1 3 506 1 1 8 GLN HE22 H -10.505 6.829 3.722 1.00 . A A . 8 GLN HE22 1 1 3 507 1 1 8 GLN HG2 H -9.860 2.937 3.307 1.00 . A A . 8 GLN HG2 1 1 3 508 1 1 8 GLN HG3 H -9.016 3.843 4.563 1.00 . A A . 8 GLN HG3 1 1 3 509 1 1 8 GLN N N -8.115 1.290 1.881 1.00 . A A . 8 GLN N 1 1 3 510 1 1 8 GLN NE2 N -10.052 5.999 3.979 1.00 . A A . 8 GLN NE2 1 1 3 511 1 1 8 GLN O O -6.403 4.087 0.422 1.00 . A A . 8 GLN O 1 1 3 512 1 1 8 GLN OE1 O -10.350 5.166 1.916 1.00 . A A . 8 GLN OE1 1 1 3 513 1 1 9 SER C C -4.053 2.760 -0.275 1.00 . A A . 9 SER C 1 1 3 514 1 1 9 SER CA C -5.197 1.983 -0.920 1.00 . A A . 9 SER CA 1 1 3 515 1 1 9 SER CB C -5.620 2.664 -2.223 1.00 . A A . 9 SER CB 1 1 3 516 1 1 9 SER H H -6.727 1.000 0.163 1.00 . A A . 9 SER H 1 1 3 517 1 1 9 SER HA H -4.856 0.982 -1.141 1.00 . A A . 9 SER HA 1 1 3 518 1 1 9 SER HB2 H -6.193 3.549 -1.995 1.00 . A A . 9 SER HB2 1 1 3 519 1 1 9 SER HB3 H -4.738 2.940 -2.784 1.00 . A A . 9 SER HB3 1 1 3 520 1 1 9 SER HG H -6.031 0.916 -3.008 1.00 . A A . 9 SER HG 1 1 3 521 1 1 9 SER N N -6.332 1.880 -0.011 1.00 . A A . 9 SER N 1 1 3 522 1 1 9 SER O O -3.954 3.979 -0.421 1.00 . A A . 9 SER O 1 1 3 523 1 1 9 SER OG O -6.412 1.798 -3.017 1.00 . A A . 9 SER OG 1 1 3 524 1 1 10 CYS C C -0.866 2.792 0.160 1.00 . A A . 10 CYS C 1 1 3 525 1 1 10 CYS CA C -2.053 2.667 1.110 1.00 . A A . 10 CYS CA 1 1 3 526 1 1 10 CYS CB C -1.653 1.851 2.341 1.00 . A A . 10 CYS CB 1 1 3 527 1 1 10 CYS H H -3.322 1.077 0.521 1.00 . A A . 10 CYS H 1 1 3 528 1 1 10 CYS HA H -2.353 3.654 1.425 1.00 . A A . 10 CYS HA 1 1 3 529 1 1 10 CYS HB2 H -0.788 2.308 2.799 1.00 . A A . 10 CYS HB2 1 1 3 530 1 1 10 CYS HB3 H -2.471 1.851 3.046 1.00 . A A . 10 CYS HB3 1 1 3 531 1 1 10 CYS N N -3.191 2.046 0.441 1.00 . A A . 10 CYS N 1 1 3 532 1 1 10 CYS O O -0.713 1.999 -0.768 1.00 . A A . 10 CYS O 1 1 3 533 1 1 10 CYS SG S -1.233 0.115 1.979 1.00 . A A . 10 CYS SG 1 1 3 534 1 1 11 PHE C C 2.275 3.067 -0.060 1.00 . A A . 11 PHE C 1 1 3 535 1 1 11 PHE CA C 1.147 4.025 -0.433 1.00 . A A . 11 PHE CA 1 1 3 536 1 1 11 PHE CB C 1.624 5.473 -0.291 1.00 . A A . 11 PHE CB 1 1 3 537 1 1 11 PHE CD1 C -0.482 6.785 -0.665 1.00 . A A . 11 PHE CD1 1 1 3 538 1 1 11 PHE CD2 C 1.308 7.046 -2.219 1.00 . A A . 11 PHE CD2 1 1 3 539 1 1 11 PHE CE1 C -1.242 7.688 -1.385 1.00 . A A . 11 PHE CE1 1 1 3 540 1 1 11 PHE CE2 C 0.553 7.950 -2.943 1.00 . A A . 11 PHE CE2 1 1 3 541 1 1 11 PHE CG C 0.800 6.454 -1.074 1.00 . A A . 11 PHE CG 1 1 3 542 1 1 11 PHE CZ C -0.722 8.272 -2.524 1.00 . A A . 11 PHE CZ 1 1 3 543 1 1 11 PHE H H -0.202 4.393 1.157 1.00 . A A . 11 PHE H 1 1 3 544 1 1 11 PHE HA H 0.864 3.848 -1.459 1.00 . A A . 11 PHE HA 1 1 3 545 1 1 11 PHE HB2 H 1.579 5.758 0.750 1.00 . A A . 11 PHE HB2 1 1 3 546 1 1 11 PHE HB3 H 2.644 5.543 -0.635 1.00 . A A . 11 PHE HB3 1 1 3 547 1 1 11 PHE HD1 H -0.888 6.330 0.226 1.00 . A A . 11 PHE HD1 1 1 3 548 1 1 11 PHE HD2 H 2.308 6.795 -2.547 1.00 . A A . 11 PHE HD2 1 1 3 549 1 1 11 PHE HE1 H -2.239 7.938 -1.057 1.00 . A A . 11 PHE HE1 1 1 3 550 1 1 11 PHE HE2 H 0.962 8.405 -3.833 1.00 . A A . 11 PHE HE2 1 1 3 551 1 1 11 PHE HZ H -1.315 8.977 -3.089 1.00 . A A . 11 PHE HZ 1 1 3 552 1 1 11 PHE N N -0.027 3.794 0.401 1.00 . A A . 11 PHE N 1 1 3 553 1 1 11 PHE O O 2.349 2.561 1.059 1.00 . A A . 11 PHE O 1 1 3 554 1 1 12 PRO C C 5.353 2.500 0.133 1.00 . A A . 12 PRO C 1 1 3 555 1 1 12 PRO CA C 4.316 1.915 -0.819 1.00 . A A . 12 PRO CA 1 1 3 556 1 1 12 PRO CB C 4.905 1.766 -2.225 1.00 . A A . 12 PRO CB 1 1 3 557 1 1 12 PRO CD C 3.149 3.382 -2.379 1.00 . A A . 12 PRO CD 1 1 3 558 1 1 12 PRO CG C 4.493 3.006 -2.940 1.00 . A A . 12 PRO CG 1 1 3 559 1 1 12 PRO HA H 4.000 0.948 -0.455 1.00 . A A . 12 PRO HA 1 1 3 560 1 1 12 PRO HB2 H 5.980 1.685 -2.160 1.00 . A A . 12 PRO HB2 1 1 3 561 1 1 12 PRO HB3 H 4.498 0.884 -2.698 1.00 . A A . 12 PRO HB3 1 1 3 562 1 1 12 PRO HD2 H 3.042 4.456 -2.345 1.00 . A A . 12 PRO HD2 1 1 3 563 1 1 12 PRO HD3 H 2.359 2.940 -2.967 1.00 . A A . 12 PRO HD3 1 1 3 564 1 1 12 PRO HG2 H 5.210 3.792 -2.755 1.00 . A A . 12 PRO HG2 1 1 3 565 1 1 12 PRO HG3 H 4.415 2.810 -3.999 1.00 . A A . 12 PRO HG3 1 1 3 566 1 1 12 PRO N N 3.175 2.812 -1.022 1.00 . A A . 12 PRO N 1 1 3 567 1 1 12 PRO O O 5.587 3.708 0.144 1.00 . A A . 12 PRO O 1 1 3 568 1 1 13 ASP C C 8.206 1.153 1.834 1.00 . A A . 13 ASP C 1 1 3 569 1 1 13 ASP CA C 6.986 2.068 1.886 1.00 . A A . 13 ASP CA 1 1 3 570 1 1 13 ASP CB C 6.407 2.088 3.302 1.00 . A A . 13 ASP CB 1 1 3 571 1 1 13 ASP CG C 7.077 3.122 4.186 1.00 . A A . 13 ASP CG 1 1 3 572 1 1 13 ASP H H 5.742 0.685 0.875 1.00 . A A . 13 ASP H 1 1 3 573 1 1 13 ASP HA H 7.290 3.068 1.617 1.00 . A A . 13 ASP HA 1 1 3 574 1 1 13 ASP HB2 H 5.353 2.316 3.249 1.00 . A A . 13 ASP HB2 1 1 3 575 1 1 13 ASP HB3 H 6.539 1.115 3.751 1.00 . A A . 13 ASP HB3 1 1 3 576 1 1 13 ASP N N 5.972 1.636 0.930 1.00 . A A . 13 ASP N 1 1 3 577 1 1 13 ASP O O 8.274 0.153 2.550 1.00 . A A . 13 ASP O 1 1 3 578 1 1 13 ASP OD1 O 8.293 2.989 4.435 1.00 . A A . 13 ASP OD1 1 1 3 579 1 1 13 ASP OD2 O 6.385 4.063 4.628 1.00 . A A . 13 ASP OD2 1 1 4 580 1 1 1 GLY C C 9.107 -0.839 -0.659 1.00 . A A . 1 GLY C 1 1 4 581 1 1 1 GLY CA C 9.853 0.337 -0.057 1.00 . A A . 1 GLY CA 1 1 4 582 1 1 1 GLY H1 H 9.082 2.278 0.287 1.00 . A A . 1 GLY H1 1 1 4 583 1 1 1 GLY HA2 H 10.451 0.802 -0.827 1.00 . A A . 1 GLY HA2 1 1 4 584 1 1 1 GLY HA3 H 10.507 -0.028 0.721 1.00 . A A . 1 GLY HA3 1 1 4 585 1 1 1 GLY N N 8.960 1.331 0.508 1.00 . A A . 1 GLY N 1 1 4 586 1 1 1 GLY O O 9.085 -1.010 -1.877 1.00 . A A . 1 GLY O 1 1 4 587 1 1 2 ARG C C 6.281 -2.464 -0.490 1.00 . A A . 2 ARG C 1 1 4 588 1 1 2 ARG CA C 7.748 -2.816 -0.255 1.00 . A A . 2 ARG CA 1 1 4 589 1 1 2 ARG CB C 7.854 -3.947 0.770 1.00 . A A . 2 ARG CB 1 1 4 590 1 1 2 ARG CD C 9.278 -5.712 1.853 1.00 . A A . 2 ARG CD 1 1 4 591 1 1 2 ARG CG C 9.228 -4.595 0.821 1.00 . A A . 2 ARG CG 1 1 4 592 1 1 2 ARG CZ C 9.592 -4.441 3.934 1.00 . A A . 2 ARG CZ 1 1 4 593 1 1 2 ARG H H 8.550 -1.460 1.159 1.00 . A A . 2 ARG H 1 1 4 594 1 1 2 ARG HA H 8.180 -3.146 -1.188 1.00 . A A . 2 ARG HA 1 1 4 595 1 1 2 ARG HB2 H 7.630 -3.551 1.750 1.00 . A A . 2 ARG HB2 1 1 4 596 1 1 2 ARG HB3 H 7.129 -4.709 0.524 1.00 . A A . 2 ARG HB3 1 1 4 597 1 1 2 ARG HD2 H 8.621 -6.507 1.536 1.00 . A A . 2 ARG HD2 1 1 4 598 1 1 2 ARG HD3 H 10.291 -6.082 1.912 1.00 . A A . 2 ARG HD3 1 1 4 599 1 1 2 ARG HE H 8.000 -5.568 3.515 1.00 . A A . 2 ARG HE 1 1 4 600 1 1 2 ARG HG2 H 9.458 -5.008 -0.150 1.00 . A A . 2 ARG HG2 1 1 4 601 1 1 2 ARG HG3 H 9.960 -3.844 1.079 1.00 . A A . 2 ARG HG3 1 1 4 602 1 1 2 ARG HH11 H 11.102 -4.277 2.603 1.00 . A A . 2 ARG HH11 1 1 4 603 1 1 2 ARG HH12 H 11.310 -3.386 4.074 1.00 . A A . 2 ARG HH12 1 1 4 604 1 1 2 ARG HH21 H 8.262 -4.399 5.456 1.00 . A A . 2 ARG HH21 1 1 4 605 1 1 2 ARG HH22 H 9.694 -3.457 5.697 1.00 . A A . 2 ARG HH22 1 1 4 606 1 1 2 ARG N N 8.496 -1.649 0.199 1.00 . A A . 2 ARG N 1 1 4 607 1 1 2 ARG NE N 8.864 -5.253 3.176 1.00 . A A . 2 ARG NE 1 1 4 608 1 1 2 ARG NH1 N 10.764 -3.998 3.502 1.00 . A A . 2 ARG NH1 1 1 4 609 1 1 2 ARG NH2 N 9.146 -4.068 5.127 1.00 . A A . 2 ARG NH2 1 1 4 610 1 1 2 ARG O O 5.747 -1.513 0.081 1.00 . A A . 2 ARG O 1 1 4 611 1 1 3 PRO C C 3.279 -3.369 -0.513 1.00 . A A . 3 PRO C 1 1 4 612 1 1 3 PRO CA C 4.202 -3.038 -1.681 1.00 . A A . 3 PRO CA 1 1 4 613 1 1 3 PRO CB C 3.963 -4.006 -2.843 1.00 . A A . 3 PRO CB 1 1 4 614 1 1 3 PRO CD C 6.190 -4.398 -2.068 1.00 . A A . 3 PRO CD 1 1 4 615 1 1 3 PRO CG C 4.985 -5.074 -2.663 1.00 . A A . 3 PRO CG 1 1 4 616 1 1 3 PRO HA H 4.017 -2.026 -2.009 1.00 . A A . 3 PRO HA 1 1 4 617 1 1 3 PRO HB2 H 2.959 -4.404 -2.781 1.00 . A A . 3 PRO HB2 1 1 4 618 1 1 3 PRO HB3 H 4.094 -3.487 -3.780 1.00 . A A . 3 PRO HB3 1 1 4 619 1 1 3 PRO HD2 H 6.696 -5.064 -1.385 1.00 . A A . 3 PRO HD2 1 1 4 620 1 1 3 PRO HD3 H 6.862 -4.071 -2.847 1.00 . A A . 3 PRO HD3 1 1 4 621 1 1 3 PRO HG2 H 4.610 -5.832 -1.993 1.00 . A A . 3 PRO HG2 1 1 4 622 1 1 3 PRO HG3 H 5.234 -5.508 -3.621 1.00 . A A . 3 PRO HG3 1 1 4 623 1 1 3 PRO N N 5.615 -3.247 -1.351 1.00 . A A . 3 PRO N 1 1 4 624 1 1 3 PRO O O 3.528 -4.309 0.242 1.00 . A A . 3 PRO O 1 1 4 625 1 1 4 CYS C C -0.141 -3.076 0.145 1.00 . A A . 4 CYS C 1 1 4 626 1 1 4 CYS CA C 1.251 -2.800 0.705 1.00 . A A . 4 CYS CA 1 1 4 627 1 1 4 CYS CB C 1.207 -1.577 1.625 1.00 . A A . 4 CYS CB 1 1 4 628 1 1 4 CYS H H 2.067 -1.855 -1.004 1.00 . A A . 4 CYS H 1 1 4 629 1 1 4 CYS HA H 1.573 -3.658 1.276 1.00 . A A . 4 CYS HA 1 1 4 630 1 1 4 CYS HB2 H 0.496 -1.758 2.418 1.00 . A A . 4 CYS HB2 1 1 4 631 1 1 4 CYS HB3 H 2.187 -1.426 2.056 1.00 . A A . 4 CYS HB3 1 1 4 632 1 1 4 CYS N N 2.212 -2.590 -0.370 1.00 . A A . 4 CYS N 1 1 4 633 1 1 4 CYS O O -0.476 -2.642 -0.957 1.00 . A A . 4 CYS O 1 1 4 634 1 1 4 CYS SG S 0.725 -0.034 0.788 1.00 . A A . 4 CYS SG 1 1 4 635 1 1 5 TYR C C -3.331 -3.595 1.477 1.00 . A A . 5 TYR C 1 1 4 636 1 1 5 TYR CA C -2.302 -4.140 0.491 1.00 . A A . 5 TYR CA 1 1 4 637 1 1 5 TYR CB C -2.457 -5.656 0.362 1.00 . A A . 5 TYR CB 1 1 4 638 1 1 5 TYR CD1 C -1.612 -6.067 -1.983 1.00 . A A . 5 TYR CD1 1 1 4 639 1 1 5 TYR CD2 C -0.447 -7.088 -0.171 1.00 . A A . 5 TYR CD2 1 1 4 640 1 1 5 TYR CE1 C -0.729 -6.638 -2.878 1.00 . A A . 5 TYR CE1 1 1 4 641 1 1 5 TYR CE2 C 0.442 -7.662 -1.059 1.00 . A A . 5 TYR CE2 1 1 4 642 1 1 5 TYR CG C -1.488 -6.282 -0.615 1.00 . A A . 5 TYR CG 1 1 4 643 1 1 5 TYR CZ C 0.296 -7.435 -2.412 1.00 . A A . 5 TYR CZ 1 1 4 644 1 1 5 TYR H H -0.624 -4.121 1.780 1.00 . A A . 5 TYR H 1 1 4 645 1 1 5 TYR HA H -2.473 -3.687 -0.475 1.00 . A A . 5 TYR HA 1 1 4 646 1 1 5 TYR HB2 H -2.295 -6.110 1.327 1.00 . A A . 5 TYR HB2 1 1 4 647 1 1 5 TYR HB3 H -3.459 -5.882 0.027 1.00 . A A . 5 TYR HB3 1 1 4 648 1 1 5 TYR HD1 H -2.416 -5.442 -2.343 1.00 . A A . 5 TYR HD1 1 1 4 649 1 1 5 TYR HD2 H -0.335 -7.265 0.889 1.00 . A A . 5 TYR HD2 1 1 4 650 1 1 5 TYR HE1 H -0.843 -6.459 -3.937 1.00 . A A . 5 TYR HE1 1 1 4 651 1 1 5 TYR HE2 H 1.245 -8.286 -0.694 1.00 . A A . 5 TYR HE2 1 1 4 652 1 1 5 TYR HH H 0.893 -7.818 -4.198 1.00 . A A . 5 TYR HH 1 1 4 653 1 1 5 TYR N N -0.948 -3.802 0.911 1.00 . A A . 5 TYR N 1 1 4 654 1 1 5 TYR O O -3.411 -4.044 2.621 1.00 . A A . 5 TYR O 1 1 4 655 1 1 5 TYR OH O 1.178 -8.004 -3.301 1.00 . A A . 5 TYR OH 1 1 4 656 1 1 6 THR C C -6.360 -1.612 1.047 1.00 . A A . 6 THR C 1 1 4 657 1 1 6 THR CA C -5.140 -2.015 1.868 1.00 . A A . 6 THR CA 1 1 4 658 1 1 6 THR CB C -4.599 -0.774 2.604 1.00 . A A . 6 THR CB 1 1 4 659 1 1 6 THR CG2 C -3.271 -1.083 3.279 1.00 . A A . 6 THR CG2 1 1 4 660 1 1 6 THR H H -4.005 -2.307 0.106 1.00 . A A . 6 THR H 1 1 4 661 1 1 6 THR HA H -5.441 -2.743 2.606 1.00 . A A . 6 THR HA 1 1 4 662 1 1 6 THR HB H -5.313 -0.484 3.362 1.00 . A A . 6 THR HB 1 1 4 663 1 1 6 THR HG1 H -4.799 1.111 2.059 1.00 . A A . 6 THR HG1 1 1 4 664 1 1 6 THR HG21 H -2.997 -0.263 3.926 1.00 . A A . 6 THR HG21 1 1 4 665 1 1 6 THR HG22 H -2.508 -1.219 2.526 1.00 . A A . 6 THR HG22 1 1 4 666 1 1 6 THR HG23 H -3.366 -1.986 3.863 1.00 . A A . 6 THR HG23 1 1 4 667 1 1 6 THR N N -4.117 -2.622 1.026 1.00 . A A . 6 THR N 1 1 4 668 1 1 6 THR O O -6.261 -1.386 -0.160 1.00 . A A . 6 THR O 1 1 4 669 1 1 6 THR OG1 O -4.431 0.308 1.681 1.00 . A A . 6 THR OG1 1 1 4 670 1 1 7 LEU C C -8.887 0.372 0.961 1.00 . A A . 7 LEU C 1 1 4 671 1 1 7 LEU CA C -8.749 -1.145 1.037 1.00 . A A . 7 LEU CA 1 1 4 672 1 1 7 LEU CB C -9.951 -1.742 1.772 1.00 . A A . 7 LEU CB 1 1 4 673 1 1 7 LEU CD1 C -11.263 -2.506 -0.222 1.00 . A A . 7 LEU CD1 1 1 4 674 1 1 7 LEU CD2 C -12.424 -2.105 1.957 1.00 . A A . 7 LEU CD2 1 1 4 675 1 1 7 LEU CG C -11.291 -1.662 1.042 1.00 . A A . 7 LEU CG 1 1 4 676 1 1 7 LEU H H -7.525 -1.714 2.668 1.00 . A A . 7 LEU H 1 1 4 677 1 1 7 LEU HA H -8.717 -1.543 0.034 1.00 . A A . 7 LEU HA 1 1 4 678 1 1 7 LEU HB2 H -9.739 -2.783 1.961 1.00 . A A . 7 LEU HB2 1 1 4 679 1 1 7 LEU HB3 H -10.053 -1.221 2.714 1.00 . A A . 7 LEU HB3 1 1 4 680 1 1 7 LEU HD11 H -10.932 -1.900 -1.052 1.00 . A A . 7 LEU HD11 1 1 4 681 1 1 7 LEU HD12 H -12.254 -2.883 -0.425 1.00 . A A . 7 LEU HD12 1 1 4 682 1 1 7 LEU HD13 H -10.583 -3.335 -0.086 1.00 . A A . 7 LEU HD13 1 1 4 683 1 1 7 LEU HD21 H -12.028 -2.737 2.738 1.00 . A A . 7 LEU HD21 1 1 4 684 1 1 7 LEU HD22 H -13.154 -2.658 1.383 1.00 . A A . 7 LEU HD22 1 1 4 685 1 1 7 LEU HD23 H -12.892 -1.237 2.397 1.00 . A A . 7 LEU HD23 1 1 4 686 1 1 7 LEU HG H -11.476 -0.636 0.753 1.00 . A A . 7 LEU HG 1 1 4 687 1 1 7 LEU N N -7.509 -1.523 1.707 1.00 . A A . 7 LEU N 1 1 4 688 1 1 7 LEU O O -9.567 0.899 0.081 1.00 . A A . 7 LEU O 1 1 4 689 1 1 8 GLN C C -7.155 3.129 1.099 1.00 . A A . 8 GLN C 1 1 4 690 1 1 8 GLN CA C -8.286 2.524 1.924 1.00 . A A . 8 GLN CA 1 1 4 691 1 1 8 GLN CB C -8.202 3.023 3.368 1.00 . A A . 8 GLN CB 1 1 4 692 1 1 8 GLN CD C -9.313 3.007 5.638 1.00 . A A . 8 GLN CD 1 1 4 693 1 1 8 GLN CG C -9.504 2.877 4.139 1.00 . A A . 8 GLN CG 1 1 4 694 1 1 8 GLN H H -7.711 0.590 2.563 1.00 . A A . 8 GLN H 1 1 4 695 1 1 8 GLN HA H -9.230 2.834 1.501 1.00 . A A . 8 GLN HA 1 1 4 696 1 1 8 GLN HB2 H -7.437 2.462 3.885 1.00 . A A . 8 GLN HB2 1 1 4 697 1 1 8 GLN HB3 H -7.929 4.068 3.361 1.00 . A A . 8 GLN HB3 1 1 4 698 1 1 8 GLN HE21 H -10.256 4.757 5.630 1.00 . A A . 8 GLN HE21 1 1 4 699 1 1 8 GLN HE22 H -9.695 4.212 7.171 1.00 . A A . 8 GLN HE22 1 1 4 700 1 1 8 GLN HG2 H -10.190 3.644 3.811 1.00 . A A . 8 GLN HG2 1 1 4 701 1 1 8 GLN HG3 H -9.926 1.905 3.927 1.00 . A A . 8 GLN HG3 1 1 4 702 1 1 8 GLN N N -8.237 1.067 1.889 1.00 . A A . 8 GLN N 1 1 4 703 1 1 8 GLN NE2 N -9.803 4.103 6.203 1.00 . A A . 8 GLN NE2 1 1 4 704 1 1 8 GLN O O -6.817 4.302 1.256 1.00 . A A . 8 GLN O 1 1 4 705 1 1 8 GLN OE1 O -8.731 2.131 6.279 1.00 . A A . 8 GLN OE1 1 1 4 706 1 1 9 SER C C -4.260 3.147 0.212 1.00 . A A . 9 SER C 1 1 4 707 1 1 9 SER CA C -5.477 2.772 -0.628 1.00 . A A . 9 SER CA 1 1 4 708 1 1 9 SER CB C -5.919 3.971 -1.471 1.00 . A A . 9 SER CB 1 1 4 709 1 1 9 SER H H -6.888 1.394 0.140 1.00 . A A . 9 SER H 1 1 4 710 1 1 9 SER HA H -5.210 1.960 -1.287 1.00 . A A . 9 SER HA 1 1 4 711 1 1 9 SER HB2 H -6.946 3.838 -1.771 1.00 . A A . 9 SER HB2 1 1 4 712 1 1 9 SER HB3 H -5.829 4.873 -0.883 1.00 . A A . 9 SER HB3 1 1 4 713 1 1 9 SER HG H -5.596 4.599 -3.298 1.00 . A A . 9 SER HG 1 1 4 714 1 1 9 SER N N -6.574 2.319 0.220 1.00 . A A . 9 SER N 1 1 4 715 1 1 9 SER O O -4.237 4.193 0.859 1.00 . A A . 9 SER O 1 1 4 716 1 1 9 SER OG O -5.116 4.101 -2.632 1.00 . A A . 9 SER OG 1 1 4 717 1 1 10 CYS C C -0.848 2.772 0.021 1.00 . A A . 10 CYS C 1 1 4 718 1 1 10 CYS CA C -2.029 2.522 0.955 1.00 . A A . 10 CYS CA 1 1 4 719 1 1 10 CYS CB C -1.729 1.329 1.866 1.00 . A A . 10 CYS CB 1 1 4 720 1 1 10 CYS H H -3.327 1.467 -0.341 1.00 . A A . 10 CYS H 1 1 4 721 1 1 10 CYS HA H -2.182 3.399 1.564 1.00 . A A . 10 CYS HA 1 1 4 722 1 1 10 CYS HB2 H -2.334 1.405 2.757 1.00 . A A . 10 CYS HB2 1 1 4 723 1 1 10 CYS HB3 H -1.979 0.417 1.344 1.00 . A A . 10 CYS HB3 1 1 4 724 1 1 10 CYS N N -3.249 2.284 0.196 1.00 . A A . 10 CYS N 1 1 4 725 1 1 10 CYS O O -0.714 2.125 -1.017 1.00 . A A . 10 CYS O 1 1 4 726 1 1 10 CYS SG S 0.012 1.212 2.388 1.00 . A A . 10 CYS SG 1 1 4 727 1 1 11 PHE C C 2.332 3.101 -0.110 1.00 . A A . 11 PHE C 1 1 4 728 1 1 11 PHE CA C 1.178 4.054 -0.403 1.00 . A A . 11 PHE CA 1 1 4 729 1 1 11 PHE CB C 1.611 5.497 -0.132 1.00 . A A . 11 PHE CB 1 1 4 730 1 1 11 PHE CD1 C -0.493 6.818 -0.481 1.00 . A A . 11 PHE CD1 1 1 4 731 1 1 11 PHE CD2 C 1.330 7.174 -1.976 1.00 . A A . 11 PHE CD2 1 1 4 732 1 1 11 PHE CE1 C -1.243 7.756 -1.167 1.00 . A A . 11 PHE CE1 1 1 4 733 1 1 11 PHE CE2 C 0.586 8.113 -2.665 1.00 . A A . 11 PHE CE2 1 1 4 734 1 1 11 PHE CG C 0.800 6.516 -0.878 1.00 . A A . 11 PHE CG 1 1 4 735 1 1 11 PHE CZ C -0.701 8.405 -2.259 1.00 . A A . 11 PHE CZ 1 1 4 736 1 1 11 PHE H H -0.151 4.198 1.238 1.00 . A A . 11 PHE H 1 1 4 737 1 1 11 PHE HA H 0.903 3.959 -1.443 1.00 . A A . 11 PHE HA 1 1 4 738 1 1 11 PHE HB2 H 1.511 5.701 0.924 1.00 . A A . 11 PHE HB2 1 1 4 739 1 1 11 PHE HB3 H 2.644 5.615 -0.421 1.00 . A A . 11 PHE HB3 1 1 4 740 1 1 11 PHE HD1 H -0.917 6.312 0.374 1.00 . A A . 11 PHE HD1 1 1 4 741 1 1 11 PHE HD2 H 2.338 6.946 -2.294 1.00 . A A . 11 PHE HD2 1 1 4 742 1 1 11 PHE HE1 H -2.248 7.983 -0.847 1.00 . A A . 11 PHE HE1 1 1 4 743 1 1 11 PHE HE2 H 1.012 8.619 -3.519 1.00 . A A . 11 PHE HE2 1 1 4 744 1 1 11 PHE HZ H -1.284 9.138 -2.796 1.00 . A A . 11 PHE HZ 1 1 4 745 1 1 11 PHE N N 0.008 3.717 0.399 1.00 . A A . 11 PHE N 1 1 4 746 1 1 11 PHE O O 2.421 2.504 0.964 1.00 . A A . 11 PHE O 1 1 4 747 1 1 12 PRO C C 5.425 2.605 0.041 1.00 . A A . 12 PRO C 1 1 4 748 1 1 12 PRO CA C 4.405 2.071 -0.958 1.00 . A A . 12 PRO CA 1 1 4 749 1 1 12 PRO CB C 4.996 2.057 -2.370 1.00 . A A . 12 PRO CB 1 1 4 750 1 1 12 PRO CD C 3.196 3.630 -2.393 1.00 . A A . 12 PRO CD 1 1 4 751 1 1 12 PRO CG C 4.550 3.341 -2.981 1.00 . A A . 12 PRO CG 1 1 4 752 1 1 12 PRO HA H 4.116 1.070 -0.676 1.00 . A A . 12 PRO HA 1 1 4 753 1 1 12 PRO HB2 H 6.073 2.000 -2.311 1.00 . A A . 12 PRO HB2 1 1 4 754 1 1 12 PRO HB3 H 4.614 1.207 -2.916 1.00 . A A . 12 PRO HB3 1 1 4 755 1 1 12 PRO HD2 H 3.058 4.694 -2.270 1.00 . A A . 12 PRO HD2 1 1 4 756 1 1 12 PRO HD3 H 2.417 3.217 -3.017 1.00 . A A . 12 PRO HD3 1 1 4 757 1 1 12 PRO HG2 H 5.244 4.128 -2.730 1.00 . A A . 12 PRO HG2 1 1 4 758 1 1 12 PRO HG3 H 4.476 3.230 -4.052 1.00 . A A . 12 PRO HG3 1 1 4 759 1 1 12 PRO N N 3.238 2.951 -1.087 1.00 . A A . 12 PRO N 1 1 4 760 1 1 12 PRO O O 5.658 3.811 0.121 1.00 . A A . 12 PRO O 1 1 4 761 1 1 13 ASP C C 8.288 1.231 1.652 1.00 . A A . 13 ASP C 1 1 4 762 1 1 13 ASP CA C 7.028 2.079 1.795 1.00 . A A . 13 ASP CA 1 1 4 763 1 1 13 ASP CB C 6.456 1.930 3.205 1.00 . A A . 13 ASP CB 1 1 4 764 1 1 13 ASP CG C 5.588 3.107 3.605 1.00 . A A . 13 ASP CG 1 1 4 765 1 1 13 ASP H H 5.802 0.752 0.691 1.00 . A A . 13 ASP H 1 1 4 766 1 1 13 ASP HA H 7.286 3.114 1.629 1.00 . A A . 13 ASP HA 1 1 4 767 1 1 13 ASP HB2 H 5.857 1.032 3.252 1.00 . A A . 13 ASP HB2 1 1 4 768 1 1 13 ASP HB3 H 7.270 1.851 3.911 1.00 . A A . 13 ASP HB3 1 1 4 769 1 1 13 ASP N N 6.031 1.699 0.801 1.00 . A A . 13 ASP N 1 1 4 770 1 1 13 ASP O O 8.593 0.405 2.514 1.00 . A A . 13 ASP O 1 1 4 771 1 1 13 ASP OD1 O 6.037 4.260 3.439 1.00 . A A . 13 ASP OD1 1 1 4 772 1 1 13 ASP OD2 O 4.457 2.874 4.082 1.00 . A A . 13 ASP OD2 1 1 5 773 1 1 1 GLY C C 9.103 -0.836 -0.668 1.00 . A A . 1 GLY C 1 1 5 774 1 1 1 GLY CA C 9.860 0.317 -0.041 1.00 . A A . 1 GLY CA 1 1 5 775 1 1 1 GLY H1 H 9.211 2.266 0.473 1.00 . A A . 1 GLY H1 1 1 5 776 1 1 1 GLY HA2 H 10.473 0.784 -0.797 1.00 . A A . 1 GLY HA2 1 1 5 777 1 1 1 GLY HA3 H 10.499 -0.069 0.740 1.00 . A A . 1 GLY HA3 1 1 5 778 1 1 1 GLY N N 8.976 1.316 0.530 1.00 . A A . 1 GLY N 1 1 5 779 1 1 1 GLY O O 9.066 -0.973 -1.891 1.00 . A A . 1 GLY O 1 1 5 780 1 1 2 ARG C C 6.273 -2.459 -0.511 1.00 . A A . 2 ARG C 1 1 5 781 1 1 2 ARG CA C 7.741 -2.821 -0.307 1.00 . A A . 2 ARG CA 1 1 5 782 1 1 2 ARG CB C 7.858 -3.983 0.681 1.00 . A A . 2 ARG CB 1 1 5 783 1 1 2 ARG CD C 9.338 -5.569 -0.589 1.00 . A A . 2 ARG CD 1 1 5 784 1 1 2 ARG CG C 9.206 -4.683 0.642 1.00 . A A . 2 ARG CG 1 1 5 785 1 1 2 ARG CZ C 9.540 -7.777 0.472 1.00 . A A . 2 ARG CZ 1 1 5 786 1 1 2 ARG H H 8.563 -1.509 1.137 1.00 . A A . 2 ARG H 1 1 5 787 1 1 2 ARG HA H 8.161 -3.123 -1.255 1.00 . A A . 2 ARG HA 1 1 5 788 1 1 2 ARG HB2 H 7.703 -3.606 1.682 1.00 . A A . 2 ARG HB2 1 1 5 789 1 1 2 ARG HB3 H 7.093 -4.710 0.456 1.00 . A A . 2 ARG HB3 1 1 5 790 1 1 2 ARG HD2 H 8.737 -5.150 -1.382 1.00 . A A . 2 ARG HD2 1 1 5 791 1 1 2 ARG HD3 H 10.373 -5.586 -0.893 1.00 . A A . 2 ARG HD3 1 1 5 792 1 1 2 ARG HE H 8.077 -7.241 -0.774 1.00 . A A . 2 ARG HE 1 1 5 793 1 1 2 ARG HG2 H 9.988 -3.938 0.620 1.00 . A A . 2 ARG HG2 1 1 5 794 1 1 2 ARG HG3 H 9.311 -5.293 1.525 1.00 . A A . 2 ARG HG3 1 1 5 795 1 1 2 ARG HH11 H 11.002 -6.468 0.949 1.00 . A A . 2 ARG HH11 1 1 5 796 1 1 2 ARG HH12 H 11.133 -8.028 1.690 1.00 . A A . 2 ARG HH12 1 1 5 797 1 1 2 ARG HH21 H 8.239 -9.299 0.195 1.00 . A A . 2 ARG HH21 1 1 5 798 1 1 2 ARG HH22 H 9.561 -9.639 1.260 1.00 . A A . 2 ARG HH22 1 1 5 799 1 1 2 ARG N N 8.499 -1.671 0.172 1.00 . A A . 2 ARG N 1 1 5 800 1 1 2 ARG NE N 8.895 -6.936 -0.329 1.00 . A A . 2 ARG NE 1 1 5 801 1 1 2 ARG NH1 N 10.649 -7.394 1.087 1.00 . A A . 2 ARG NH1 1 1 5 802 1 1 2 ARG NH2 N 9.074 -9.006 0.658 1.00 . A A . 2 ARG NH2 1 1 5 803 1 1 2 ARG O O 5.752 -1.518 0.087 1.00 . A A . 2 ARG O 1 1 5 804 1 1 3 PRO C C 3.266 -3.351 -0.505 1.00 . A A . 3 PRO C 1 1 5 805 1 1 3 PRO CA C 4.173 -3.000 -1.681 1.00 . A A . 3 PRO CA 1 1 5 806 1 1 3 PRO CB C 3.910 -3.943 -2.857 1.00 . A A . 3 PRO CB 1 1 5 807 1 1 3 PRO CD C 6.148 -4.361 -2.127 1.00 . A A . 3 PRO CD 1 1 5 808 1 1 3 PRO CG C 4.932 -5.019 -2.716 1.00 . A A . 3 PRO CG 1 1 5 809 1 1 3 PRO HA H 3.987 -1.981 -1.985 1.00 . A A . 3 PRO HA 1 1 5 810 1 1 3 PRO HB2 H 2.907 -4.338 -2.789 1.00 . A A . 3 PRO HB2 1 1 5 811 1 1 3 PRO HB3 H 4.029 -3.406 -3.787 1.00 . A A . 3 PRO HB3 1 1 5 812 1 1 3 PRO HD2 H 6.663 -5.042 -1.465 1.00 . A A . 3 PRO HD2 1 1 5 813 1 1 3 PRO HD3 H 6.809 -4.019 -2.909 1.00 . A A . 3 PRO HD3 1 1 5 814 1 1 3 PRO HG2 H 4.564 -5.789 -2.056 1.00 . A A . 3 PRO HG2 1 1 5 815 1 1 3 PRO HG3 H 5.164 -5.433 -3.686 1.00 . A A . 3 PRO HG3 1 1 5 816 1 1 3 PRO N N 5.590 -3.222 -1.377 1.00 . A A . 3 PRO N 1 1 5 817 1 1 3 PRO O O 3.543 -4.286 0.247 1.00 . A A . 3 PRO O 1 1 5 818 1 1 4 CYS C C -0.154 -3.132 0.182 1.00 . A A . 4 CYS C 1 1 5 819 1 1 4 CYS CA C 1.237 -2.827 0.731 1.00 . A A . 4 CYS CA 1 1 5 820 1 1 4 CYS CB C 1.177 -1.606 1.652 1.00 . A A . 4 CYS CB 1 1 5 821 1 1 4 CYS H H 2.018 -1.864 -0.985 1.00 . A A . 4 CYS H 1 1 5 822 1 1 4 CYS HA H 1.582 -3.678 1.298 1.00 . A A . 4 CYS HA 1 1 5 823 1 1 4 CYS HB2 H 0.428 -1.775 2.412 1.00 . A A . 4 CYS HB2 1 1 5 824 1 1 4 CYS HB3 H 2.139 -1.474 2.125 1.00 . A A . 4 CYS HB3 1 1 5 825 1 1 4 CYS N N 2.184 -2.596 -0.353 1.00 . A A . 4 CYS N 1 1 5 826 1 1 4 CYS O O -0.493 -2.738 -0.935 1.00 . A A . 4 CYS O 1 1 5 827 1 1 4 CYS SG S 0.758 -0.051 0.800 1.00 . A A . 4 CYS SG 1 1 5 828 1 1 5 TYR C C -3.339 -3.621 1.535 1.00 . A A . 5 TYR C 1 1 5 829 1 1 5 TYR CA C -2.309 -4.196 0.568 1.00 . A A . 5 TYR CA 1 1 5 830 1 1 5 TYR CB C -2.453 -5.717 0.495 1.00 . A A . 5 TYR CB 1 1 5 831 1 1 5 TYR CD1 C -0.953 -5.875 -1.530 1.00 . A A . 5 TYR CD1 1 1 5 832 1 1 5 TYR CD2 C -0.744 -7.544 0.159 1.00 . A A . 5 TYR CD2 1 1 5 833 1 1 5 TYR CE1 C 0.041 -6.488 -2.267 1.00 . A A . 5 TYR CE1 1 1 5 834 1 1 5 TYR CE2 C 0.252 -8.164 -0.571 1.00 . A A . 5 TYR CE2 1 1 5 835 1 1 5 TYR CG C -1.363 -6.391 -0.307 1.00 . A A . 5 TYR CG 1 1 5 836 1 1 5 TYR CZ C 0.642 -7.633 -1.783 1.00 . A A . 5 TYR CZ 1 1 5 837 1 1 5 TYR H H -0.629 -4.120 1.853 1.00 . A A . 5 TYR H 1 1 5 838 1 1 5 TYR HA H -2.481 -3.779 -0.414 1.00 . A A . 5 TYR HA 1 1 5 839 1 1 5 TYR HB2 H -2.428 -6.122 1.494 1.00 . A A . 5 TYR HB2 1 1 5 840 1 1 5 TYR HB3 H -3.402 -5.959 0.038 1.00 . A A . 5 TYR HB3 1 1 5 841 1 1 5 TYR HD1 H -1.424 -4.979 -1.906 1.00 . A A . 5 TYR HD1 1 1 5 842 1 1 5 TYR HD2 H -1.051 -7.958 1.108 1.00 . A A . 5 TYR HD2 1 1 5 843 1 1 5 TYR HE1 H 0.347 -6.072 -3.216 1.00 . A A . 5 TYR HE1 1 1 5 844 1 1 5 TYR HE2 H 0.723 -9.060 -0.192 1.00 . A A . 5 TYR HE2 1 1 5 845 1 1 5 TYR HH H 1.563 -7.982 -3.433 1.00 . A A . 5 TYR HH 1 1 5 846 1 1 5 TYR N N -0.955 -3.835 0.974 1.00 . A A . 5 TYR N 1 1 5 847 1 1 5 TYR O O -3.436 -4.048 2.686 1.00 . A A . 5 TYR O 1 1 5 848 1 1 5 TYR OH O 1.634 -8.246 -2.513 1.00 . A A . 5 TYR OH 1 1 5 849 1 1 6 THR C C -6.338 -1.607 1.037 1.00 . A A . 6 THR C 1 1 5 850 1 1 6 THR CA C -5.134 -2.012 1.878 1.00 . A A . 6 THR CA 1 1 5 851 1 1 6 THR CB C -4.583 -0.768 2.599 1.00 . A A . 6 THR CB 1 1 5 852 1 1 6 THR CG2 C -3.257 -1.078 3.277 1.00 . A A . 6 THR CG2 1 1 5 853 1 1 6 THR H H -3.985 -2.351 0.133 1.00 . A A . 6 THR H 1 1 5 854 1 1 6 THR HA H -5.452 -2.725 2.625 1.00 . A A . 6 THR HA 1 1 5 855 1 1 6 THR HB H -5.295 -0.464 3.354 1.00 . A A . 6 THR HB 1 1 5 856 1 1 6 THR HG1 H -3.948 -0.023 0.887 1.00 . A A . 6 THR HG1 1 1 5 857 1 1 6 THR HG21 H -3.009 -0.282 3.965 1.00 . A A . 6 THR HG21 1 1 5 858 1 1 6 THR HG22 H -2.482 -1.162 2.530 1.00 . A A . 6 THR HG22 1 1 5 859 1 1 6 THR HG23 H -3.338 -2.008 3.819 1.00 . A A . 6 THR HG23 1 1 5 860 1 1 6 THR N N -4.110 -2.647 1.057 1.00 . A A . 6 THR N 1 1 5 861 1 1 6 THR O O -6.216 -1.364 -0.165 1.00 . A A . 6 THR O 1 1 5 862 1 1 6 THR OG1 O -4.408 0.303 1.665 1.00 . A A . 6 THR OG1 1 1 5 863 1 1 7 LEU C C -8.877 0.359 0.924 1.00 . A A . 7 LEU C 1 1 5 864 1 1 7 LEU CA C -8.731 -1.157 0.984 1.00 . A A . 7 LEU CA 1 1 5 865 1 1 7 LEU CB C -9.943 -1.772 1.687 1.00 . A A . 7 LEU CB 1 1 5 866 1 1 7 LEU CD1 C -11.848 -1.529 3.297 1.00 . A A . 7 LEU CD1 1 1 5 867 1 1 7 LEU CD2 C -9.506 -1.095 4.060 1.00 . A A . 7 LEU CD2 1 1 5 868 1 1 7 LEU CG C -10.480 -1.002 2.894 1.00 . A A . 7 LEU CG 1 1 5 869 1 1 7 LEU H H -7.536 -1.740 2.631 1.00 . A A . 7 LEU H 1 1 5 870 1 1 7 LEU HA H -8.676 -1.542 -0.024 1.00 . A A . 7 LEU HA 1 1 5 871 1 1 7 LEU HB2 H -10.739 -1.849 0.963 1.00 . A A . 7 LEU HB2 1 1 5 872 1 1 7 LEU HB3 H -9.664 -2.761 2.020 1.00 . A A . 7 LEU HB3 1 1 5 873 1 1 7 LEU HD11 H -11.968 -2.537 2.931 1.00 . A A . 7 LEU HD11 1 1 5 874 1 1 7 LEU HD12 H -12.615 -0.898 2.872 1.00 . A A . 7 LEU HD12 1 1 5 875 1 1 7 LEU HD13 H -11.934 -1.523 4.373 1.00 . A A . 7 LEU HD13 1 1 5 876 1 1 7 LEU HD21 H -9.223 -2.126 4.211 1.00 . A A . 7 LEU HD21 1 1 5 877 1 1 7 LEU HD22 H -9.980 -0.716 4.955 1.00 . A A . 7 LEU HD22 1 1 5 878 1 1 7 LEU HD23 H -8.627 -0.507 3.842 1.00 . A A . 7 LEU HD23 1 1 5 879 1 1 7 LEU HG H -10.588 0.041 2.629 1.00 . A A . 7 LEU HG 1 1 5 880 1 1 7 LEU N N -7.502 -1.535 1.674 1.00 . A A . 7 LEU N 1 1 5 881 1 1 7 LEU O O -9.565 0.891 0.053 1.00 . A A . 7 LEU O 1 1 5 882 1 1 8 GLN C C -7.151 3.124 1.092 1.00 . A A . 8 GLN C 1 1 5 883 1 1 8 GLN CA C -8.283 2.506 1.906 1.00 . A A . 8 GLN CA 1 1 5 884 1 1 8 GLN CB C -8.207 2.988 3.356 1.00 . A A . 8 GLN CB 1 1 5 885 1 1 8 GLN CD C -9.488 3.776 5.386 1.00 . A A . 8 GLN CD 1 1 5 886 1 1 8 GLN CG C -9.565 3.102 4.030 1.00 . A A . 8 GLN CG 1 1 5 887 1 1 8 GLN H H -7.694 0.568 2.522 1.00 . A A . 8 GLN H 1 1 5 888 1 1 8 GLN HA H -9.226 2.815 1.482 1.00 . A A . 8 GLN HA 1 1 5 889 1 1 8 GLN HB2 H -7.604 2.296 3.923 1.00 . A A . 8 GLN HB2 1 1 5 890 1 1 8 GLN HB3 H -7.738 3.961 3.375 1.00 . A A . 8 GLN HB3 1 1 5 891 1 1 8 GLN HE21 H -10.793 2.477 6.134 1.00 . A A . 8 GLN HE21 1 1 5 892 1 1 8 GLN HE22 H -10.209 3.672 7.236 1.00 . A A . 8 GLN HE22 1 1 5 893 1 1 8 GLN HG2 H -10.221 3.679 3.396 1.00 . A A . 8 GLN HG2 1 1 5 894 1 1 8 GLN HG3 H -9.972 2.110 4.161 1.00 . A A . 8 GLN HG3 1 1 5 895 1 1 8 GLN N N -8.225 1.049 1.855 1.00 . A A . 8 GLN N 1 1 5 896 1 1 8 GLN NE2 N -10.240 3.257 6.349 1.00 . A A . 8 GLN NE2 1 1 5 897 1 1 8 GLN O O -6.819 4.296 1.265 1.00 . A A . 8 GLN O 1 1 5 898 1 1 8 GLN OE1 O -8.761 4.754 5.566 1.00 . A A . 8 GLN OE1 1 1 5 899 1 1 9 SER C C -4.252 3.160 0.216 1.00 . A A . 9 SER C 1 1 5 900 1 1 9 SER CA C -5.466 2.796 -0.633 1.00 . A A . 9 SER CA 1 1 5 901 1 1 9 SER CB C -5.906 4.006 -1.459 1.00 . A A . 9 SER CB 1 1 5 902 1 1 9 SER H H -6.874 1.402 0.114 1.00 . A A . 9 SER H 1 1 5 903 1 1 9 SER HA H -5.194 1.994 -1.302 1.00 . A A . 9 SER HA 1 1 5 904 1 1 9 SER HB2 H -5.845 4.895 -0.850 1.00 . A A . 9 SER HB2 1 1 5 905 1 1 9 SER HB3 H -5.257 4.111 -2.315 1.00 . A A . 9 SER HB3 1 1 5 906 1 1 9 SER HG H -7.362 4.357 -2.722 1.00 . A A . 9 SER HG 1 1 5 907 1 1 9 SER N N -6.563 2.328 0.205 1.00 . A A . 9 SER N 1 1 5 908 1 1 9 SER O O -4.233 4.196 0.882 1.00 . A A . 9 SER O 1 1 5 909 1 1 9 SER OG O -7.240 3.854 -1.913 1.00 . A A . 9 SER OG 1 1 5 910 1 1 10 CYS C C -0.837 2.802 0.025 1.00 . A A . 10 CYS C 1 1 5 911 1 1 10 CYS CA C -2.019 2.530 0.953 1.00 . A A . 10 CYS CA 1 1 5 912 1 1 10 CYS CB C -1.715 1.322 1.842 1.00 . A A . 10 CYS CB 1 1 5 913 1 1 10 CYS H H -3.312 1.492 -0.364 1.00 . A A . 10 CYS H 1 1 5 914 1 1 10 CYS HA H -2.177 3.396 1.578 1.00 . A A . 10 CYS HA 1 1 5 915 1 1 10 CYS HB2 H -2.329 1.376 2.729 1.00 . A A . 10 CYS HB2 1 1 5 916 1 1 10 CYS HB3 H -1.953 0.418 1.300 1.00 . A A . 10 CYS HB3 1 1 5 917 1 1 10 CYS N N -3.238 2.302 0.187 1.00 . A A . 10 CYS N 1 1 5 918 1 1 10 CYS O O -0.701 2.175 -1.024 1.00 . A A . 10 CYS O 1 1 5 919 1 1 10 CYS SG S 0.022 1.210 2.377 1.00 . A A . 10 CYS SG 1 1 5 920 1 1 11 PHE C C 2.337 3.135 -0.105 1.00 . A A . 11 PHE C 1 1 5 921 1 1 11 PHE CA C 1.184 4.099 -0.371 1.00 . A A . 11 PHE CA 1 1 5 922 1 1 11 PHE CB C 1.621 5.531 -0.061 1.00 . A A . 11 PHE CB 1 1 5 923 1 1 11 PHE CD1 C 0.865 6.845 -2.061 1.00 . A A . 11 PHE CD1 1 1 5 924 1 1 11 PHE CD2 C -0.171 7.284 0.042 1.00 . A A . 11 PHE CD2 1 1 5 925 1 1 11 PHE CE1 C 0.068 7.806 -2.656 1.00 . A A . 11 PHE CE1 1 1 5 926 1 1 11 PHE CE2 C -0.970 8.246 -0.548 1.00 . A A . 11 PHE CE2 1 1 5 927 1 1 11 PHE CG C 0.753 6.575 -0.706 1.00 . A A . 11 PHE CG 1 1 5 928 1 1 11 PHE CZ C -0.851 8.506 -1.900 1.00 . A A . 11 PHE CZ 1 1 5 929 1 1 11 PHE H H -0.148 4.207 1.271 1.00 . A A . 11 PHE H 1 1 5 930 1 1 11 PHE HA H 0.910 4.033 -1.413 1.00 . A A . 11 PHE HA 1 1 5 931 1 1 11 PHE HB2 H 1.588 5.687 1.007 1.00 . A A . 11 PHE HB2 1 1 5 932 1 1 11 PHE HB3 H 2.632 5.676 -0.410 1.00 . A A . 11 PHE HB3 1 1 5 933 1 1 11 PHE HD1 H 1.582 6.298 -2.654 1.00 . A A . 11 PHE HD1 1 1 5 934 1 1 11 PHE HD2 H -0.266 7.082 1.099 1.00 . A A . 11 PHE HD2 1 1 5 935 1 1 11 PHE HE1 H 0.164 8.007 -3.713 1.00 . A A . 11 PHE HE1 1 1 5 936 1 1 11 PHE HE2 H -1.688 8.791 0.046 1.00 . A A . 11 PHE HE2 1 1 5 937 1 1 11 PHE HZ H -1.473 9.257 -2.363 1.00 . A A . 11 PHE HZ 1 1 5 938 1 1 11 PHE N N 0.015 3.742 0.423 1.00 . A A . 11 PHE N 1 1 5 939 1 1 11 PHE O O 2.424 2.508 0.951 1.00 . A A . 11 PHE O 1 1 5 940 1 1 12 PRO C C 5.429 2.629 0.033 1.00 . A A . 12 PRO C 1 1 5 941 1 1 12 PRO CA C 4.408 2.127 -0.981 1.00 . A A . 12 PRO CA 1 1 5 942 1 1 12 PRO CB C 4.999 2.151 -2.393 1.00 . A A . 12 PRO CB 1 1 5 943 1 1 12 PRO CD C 3.203 3.728 -2.372 1.00 . A A . 12 PRO CD 1 1 5 944 1 1 12 PRO CG C 4.556 3.452 -2.968 1.00 . A A . 12 PRO CG 1 1 5 945 1 1 12 PRO HA H 4.118 1.118 -0.729 1.00 . A A . 12 PRO HA 1 1 5 946 1 1 12 PRO HB2 H 6.077 2.091 -2.336 1.00 . A A . 12 PRO HB2 1 1 5 947 1 1 12 PRO HB3 H 4.617 1.318 -2.962 1.00 . A A . 12 PRO HB3 1 1 5 948 1 1 12 PRO HD2 H 3.066 4.788 -2.219 1.00 . A A . 12 PRO HD2 1 1 5 949 1 1 12 PRO HD3 H 2.423 3.333 -3.007 1.00 . A A . 12 PRO HD3 1 1 5 950 1 1 12 PRO HG2 H 5.251 4.231 -2.694 1.00 . A A . 12 PRO HG2 1 1 5 951 1 1 12 PRO HG3 H 4.483 3.373 -4.042 1.00 . A A . 12 PRO HG3 1 1 5 952 1 1 12 PRO N N 3.243 3.012 -1.085 1.00 . A A . 12 PRO N 1 1 5 953 1 1 12 PRO O O 5.676 3.831 0.136 1.00 . A A . 12 PRO O 1 1 5 954 1 1 13 ASP C C 8.261 1.181 1.642 1.00 . A A . 13 ASP C 1 1 5 955 1 1 13 ASP CA C 7.017 2.052 1.784 1.00 . A A . 13 ASP CA 1 1 5 956 1 1 13 ASP CB C 6.431 1.899 3.189 1.00 . A A . 13 ASP CB 1 1 5 957 1 1 13 ASP CG C 7.394 2.345 4.271 1.00 . A A . 13 ASP CG 1 1 5 958 1 1 13 ASP H H 5.781 0.761 0.650 1.00 . A A . 13 ASP H 1 1 5 959 1 1 13 ASP HA H 7.295 3.084 1.632 1.00 . A A . 13 ASP HA 1 1 5 960 1 1 13 ASP HB2 H 5.534 2.496 3.265 1.00 . A A . 13 ASP HB2 1 1 5 961 1 1 13 ASP HB3 H 6.182 0.862 3.357 1.00 . A A . 13 ASP HB3 1 1 5 962 1 1 13 ASP N N 6.020 1.703 0.779 1.00 . A A . 13 ASP N 1 1 5 963 1 1 13 ASP O O 8.555 0.354 2.507 1.00 . A A . 13 ASP O 1 1 5 964 1 1 13 ASP OD1 O 8.396 3.010 3.934 1.00 . A A . 13 ASP OD1 1 1 5 965 1 1 13 ASP OD2 O 7.148 2.028 5.453 1.00 . A A . 13 ASP OD2 1 1 6 966 1 1 1 GLY C C 9.016 -1.347 -0.202 1.00 . A A . 1 GLY C 1 1 6 967 1 1 1 GLY CA C 9.830 -0.087 0.013 1.00 . A A . 1 GLY CA 1 1 6 968 1 1 1 GLY H1 H 9.137 1.891 -0.283 1.00 . A A . 1 GLY H1 1 1 6 969 1 1 1 GLY HA2 H 10.440 0.088 -0.861 1.00 . A A . 1 GLY HA2 1 1 6 970 1 1 1 GLY HA3 H 10.477 -0.232 0.867 1.00 . A A . 1 GLY HA3 1 1 6 971 1 1 1 GLY N N 8.999 1.079 0.247 1.00 . A A . 1 GLY N 1 1 6 972 1 1 1 GLY O O 9.143 -2.007 -1.234 1.00 . A A . 1 GLY O 1 1 6 973 1 1 2 ARG C C 5.997 -2.548 0.046 1.00 . A A . 2 ARG C 1 1 6 974 1 1 2 ARG CA C 7.342 -2.874 0.687 1.00 . A A . 2 ARG CA 1 1 6 975 1 1 2 ARG CB C 7.126 -3.472 2.078 1.00 . A A . 2 ARG CB 1 1 6 976 1 1 2 ARG CD C 7.749 -5.413 3.549 1.00 . A A . 2 ARG CD 1 1 6 977 1 1 2 ARG CG C 8.240 -4.406 2.521 1.00 . A A . 2 ARG CG 1 1 6 978 1 1 2 ARG CZ C 6.323 -7.413 3.640 1.00 . A A . 2 ARG CZ 1 1 6 979 1 1 2 ARG H H 8.122 -1.116 1.572 1.00 . A A . 2 ARG H 1 1 6 980 1 1 2 ARG HA H 7.856 -3.596 0.070 1.00 . A A . 2 ARG HA 1 1 6 981 1 1 2 ARG HB2 H 7.053 -2.668 2.796 1.00 . A A . 2 ARG HB2 1 1 6 982 1 1 2 ARG HB3 H 6.200 -4.028 2.078 1.00 . A A . 2 ARG HB3 1 1 6 983 1 1 2 ARG HD2 H 8.605 -5.872 4.020 1.00 . A A . 2 ARG HD2 1 1 6 984 1 1 2 ARG HD3 H 7.165 -4.891 4.292 1.00 . A A . 2 ARG HD3 1 1 6 985 1 1 2 ARG HE H 6.818 -6.440 1.969 1.00 . A A . 2 ARG HE 1 1 6 986 1 1 2 ARG HG2 H 8.613 -4.940 1.659 1.00 . A A . 2 ARG HG2 1 1 6 987 1 1 2 ARG HG3 H 9.036 -3.820 2.955 1.00 . A A . 2 ARG HG3 1 1 6 988 1 1 2 ARG HH11 H 7.001 -6.771 5.431 1.00 . A A . 2 ARG HH11 1 1 6 989 1 1 2 ARG HH12 H 5.994 -8.180 5.480 1.00 . A A . 2 ARG HH12 1 1 6 990 1 1 2 ARG HH21 H 5.491 -8.295 2.022 1.00 . A A . 2 ARG HH21 1 1 6 991 1 1 2 ARG HH22 H 5.136 -9.047 3.541 1.00 . A A . 2 ARG HH22 1 1 6 992 1 1 2 ARG N N 8.179 -1.683 0.774 1.00 . A A . 2 ARG N 1 1 6 993 1 1 2 ARG NE N 6.925 -6.455 2.943 1.00 . A A . 2 ARG NE 1 1 6 994 1 1 2 ARG NH1 N 6.451 -7.459 4.959 1.00 . A A . 2 ARG NH1 1 1 6 995 1 1 2 ARG NH2 N 5.590 -8.327 3.017 1.00 . A A . 2 ARG NH2 1 1 6 996 1 1 2 ARG O O 5.561 -1.397 0.011 1.00 . A A . 2 ARG O 1 1 6 997 1 1 3 PRO C C 2.913 -3.085 -0.130 1.00 . A A . 3 PRO C 1 1 6 998 1 1 3 PRO CA C 4.016 -3.433 -1.122 1.00 . A A . 3 PRO CA 1 1 6 999 1 1 3 PRO CB C 3.766 -4.812 -1.740 1.00 . A A . 3 PRO CB 1 1 6 1000 1 1 3 PRO CD C 5.782 -4.983 -0.466 1.00 . A A . 3 PRO CD 1 1 6 1001 1 1 3 PRO CG C 4.565 -5.751 -0.905 1.00 . A A . 3 PRO CG 1 1 6 1002 1 1 3 PRO HA H 4.046 -2.687 -1.903 1.00 . A A . 3 PRO HA 1 1 6 1003 1 1 3 PRO HB2 H 2.711 -5.042 -1.696 1.00 . A A . 3 PRO HB2 1 1 6 1004 1 1 3 PRO HB3 H 4.098 -4.815 -2.767 1.00 . A A . 3 PRO HB3 1 1 6 1005 1 1 3 PRO HD2 H 6.081 -5.286 0.527 1.00 . A A . 3 PRO HD2 1 1 6 1006 1 1 3 PRO HD3 H 6.592 -5.126 -1.166 1.00 . A A . 3 PRO HD3 1 1 6 1007 1 1 3 PRO HG2 H 3.989 -6.063 -0.048 1.00 . A A . 3 PRO HG2 1 1 6 1008 1 1 3 PRO HG3 H 4.857 -6.608 -1.495 1.00 . A A . 3 PRO HG3 1 1 6 1009 1 1 3 PRO N N 5.322 -3.584 -0.474 1.00 . A A . 3 PRO N 1 1 6 1010 1 1 3 PRO O O 2.770 -3.731 0.909 1.00 . A A . 3 PRO O 1 1 6 1011 1 1 4 CYS C C -0.306 -1.799 -0.291 1.00 . A A . 4 CYS C 1 1 6 1012 1 1 4 CYS CA C 1.039 -1.627 0.407 1.00 . A A . 4 CYS CA 1 1 6 1013 1 1 4 CYS CB C 1.232 -0.164 0.811 1.00 . A A . 4 CYS CB 1 1 6 1014 1 1 4 CYS H H 2.294 -1.584 -1.298 1.00 . A A . 4 CYS H 1 1 6 1015 1 1 4 CYS HA H 1.052 -2.242 1.294 1.00 . A A . 4 CYS HA 1 1 6 1016 1 1 4 CYS HB2 H 2.272 0.101 0.691 1.00 . A A . 4 CYS HB2 1 1 6 1017 1 1 4 CYS HB3 H 0.630 0.462 0.170 1.00 . A A . 4 CYS HB3 1 1 6 1018 1 1 4 CYS N N 2.131 -2.061 -0.456 1.00 . A A . 4 CYS N 1 1 6 1019 1 1 4 CYS O O -0.753 -0.919 -1.029 1.00 . A A . 4 CYS O 1 1 6 1020 1 1 4 CYS SG S 0.767 0.198 2.536 1.00 . A A . 4 CYS SG 1 1 6 1021 1 1 5 TYR C C -3.307 -3.453 0.408 1.00 . A A . 5 TYR C 1 1 6 1022 1 1 5 TYR CA C -2.242 -3.227 -0.661 1.00 . A A . 5 TYR CA 1 1 6 1023 1 1 5 TYR CB C -2.142 -4.457 -1.564 1.00 . A A . 5 TYR CB 1 1 6 1024 1 1 5 TYR CD1 C 0.096 -4.170 -2.698 1.00 . A A . 5 TYR CD1 1 1 6 1025 1 1 5 TYR CD2 C -1.866 -4.101 -4.049 1.00 . A A . 5 TYR CD2 1 1 6 1026 1 1 5 TYR CE1 C 0.880 -3.969 -3.818 1.00 . A A . 5 TYR CE1 1 1 6 1027 1 1 5 TYR CE2 C -1.091 -3.901 -5.175 1.00 . A A . 5 TYR CE2 1 1 6 1028 1 1 5 TYR CG C -1.288 -4.238 -2.793 1.00 . A A . 5 TYR CG 1 1 6 1029 1 1 5 TYR CZ C 0.282 -3.835 -5.054 1.00 . A A . 5 TYR CZ 1 1 6 1030 1 1 5 TYR H H -0.542 -3.600 0.543 1.00 . A A . 5 TYR H 1 1 6 1031 1 1 5 TYR HA H -2.525 -2.374 -1.261 1.00 . A A . 5 TYR HA 1 1 6 1032 1 1 5 TYR HB2 H -1.711 -5.273 -1.004 1.00 . A A . 5 TYR HB2 1 1 6 1033 1 1 5 TYR HB3 H -3.132 -4.736 -1.893 1.00 . A A . 5 TYR HB3 1 1 6 1034 1 1 5 TYR HD1 H 0.562 -4.276 -1.729 1.00 . A A . 5 TYR HD1 1 1 6 1035 1 1 5 TYR HD2 H -2.942 -4.152 -4.140 1.00 . A A . 5 TYR HD2 1 1 6 1036 1 1 5 TYR HE1 H 1.954 -3.918 -3.725 1.00 . A A . 5 TYR HE1 1 1 6 1037 1 1 5 TYR HE2 H -1.559 -3.795 -6.142 1.00 . A A . 5 TYR HE2 1 1 6 1038 1 1 5 TYR HH H 0.641 -2.985 -6.740 1.00 . A A . 5 TYR HH 1 1 6 1039 1 1 5 TYR N N -0.948 -2.938 -0.054 1.00 . A A . 5 TYR N 1 1 6 1040 1 1 5 TYR O O -3.320 -4.483 1.081 1.00 . A A . 5 TYR O 1 1 6 1041 1 1 5 TYR OH O 1.059 -3.637 -6.172 1.00 . A A . 5 TYR OH 1 1 6 1042 1 1 6 THR C C -6.495 -1.777 1.101 1.00 . A A . 6 THR C 1 1 6 1043 1 1 6 THR CA C -5.270 -2.571 1.544 1.00 . A A . 6 THR CA 1 1 6 1044 1 1 6 THR CB C -4.810 -2.057 2.921 1.00 . A A . 6 THR CB 1 1 6 1045 1 1 6 THR CG2 C -3.681 -2.917 3.470 1.00 . A A . 6 THR CG2 1 1 6 1046 1 1 6 THR H H -4.139 -1.683 -0.009 1.00 . A A . 6 THR H 1 1 6 1047 1 1 6 THR HA H -5.545 -3.611 1.644 1.00 . A A . 6 THR HA 1 1 6 1048 1 1 6 THR HB H -5.645 -2.106 3.605 1.00 . A A . 6 THR HB 1 1 6 1049 1 1 6 THR HG1 H -3.763 -0.613 2.077 1.00 . A A . 6 THR HG1 1 1 6 1050 1 1 6 THR HG21 H -3.960 -3.958 3.408 1.00 . A A . 6 THR HG21 1 1 6 1051 1 1 6 THR HG22 H -3.496 -2.653 4.500 1.00 . A A . 6 THR HG22 1 1 6 1052 1 1 6 THR HG23 H -2.787 -2.749 2.889 1.00 . A A . 6 THR HG23 1 1 6 1053 1 1 6 THR N N -4.201 -2.480 0.558 1.00 . A A . 6 THR N 1 1 6 1054 1 1 6 THR O O -6.446 -1.037 0.118 1.00 . A A . 6 THR O 1 1 6 1055 1 1 6 THR OG1 O -4.372 -0.697 2.815 1.00 . A A . 6 THR OG1 1 1 6 1056 1 1 7 LEU C C -8.600 0.275 1.453 1.00 . A A . 7 LEU C 1 1 6 1057 1 1 7 LEU CA C -8.830 -1.231 1.517 1.00 . A A . 7 LEU CA 1 1 6 1058 1 1 7 LEU CB C -9.902 -1.552 2.560 1.00 . A A . 7 LEU CB 1 1 6 1059 1 1 7 LEU CD1 C -10.058 -4.051 2.660 1.00 . A A . 7 LEU CD1 1 1 6 1060 1 1 7 LEU CD2 C -12.108 -2.659 3.003 1.00 . A A . 7 LEU CD2 1 1 6 1061 1 1 7 LEU CG C -10.779 -2.771 2.270 1.00 . A A . 7 LEU CG 1 1 6 1062 1 1 7 LEU H H -7.570 -2.538 2.606 1.00 . A A . 7 LEU H 1 1 6 1063 1 1 7 LEU HA H -9.167 -1.573 0.550 1.00 . A A . 7 LEU HA 1 1 6 1064 1 1 7 LEU HB2 H -9.406 -1.719 3.504 1.00 . A A . 7 LEU HB2 1 1 6 1065 1 1 7 LEU HB3 H -10.549 -0.690 2.643 1.00 . A A . 7 LEU HB3 1 1 6 1066 1 1 7 LEU HD11 H -9.302 -3.828 3.398 1.00 . A A . 7 LEU HD11 1 1 6 1067 1 1 7 LEU HD12 H -9.593 -4.483 1.786 1.00 . A A . 7 LEU HD12 1 1 6 1068 1 1 7 LEU HD13 H -10.768 -4.753 3.073 1.00 . A A . 7 LEU HD13 1 1 6 1069 1 1 7 LEU HD21 H -11.945 -2.219 3.976 1.00 . A A . 7 LEU HD21 1 1 6 1070 1 1 7 LEU HD22 H -12.537 -3.644 3.120 1.00 . A A . 7 LEU HD22 1 1 6 1071 1 1 7 LEU HD23 H -12.781 -2.038 2.433 1.00 . A A . 7 LEU HD23 1 1 6 1072 1 1 7 LEU HG H -10.983 -2.814 1.209 1.00 . A A . 7 LEU HG 1 1 6 1073 1 1 7 LEU N N -7.592 -1.935 1.833 1.00 . A A . 7 LEU N 1 1 6 1074 1 1 7 LEU O O -9.202 0.970 0.636 1.00 . A A . 7 LEU O 1 1 6 1075 1 1 8 GLN C C -6.580 2.606 1.153 1.00 . A A . 8 GLN C 1 1 6 1076 1 1 8 GLN CA C -7.413 2.195 2.362 1.00 . A A . 8 GLN CA 1 1 6 1077 1 1 8 GLN CB C -6.667 2.540 3.652 1.00 . A A . 8 GLN CB 1 1 6 1078 1 1 8 GLN CD C -7.544 1.036 5.484 1.00 . A A . 8 GLN CD 1 1 6 1079 1 1 8 GLN CG C -7.528 2.436 4.901 1.00 . A A . 8 GLN CG 1 1 6 1080 1 1 8 GLN H H -7.277 0.167 2.948 1.00 . A A . 8 GLN H 1 1 6 1081 1 1 8 GLN HA H -8.346 2.739 2.341 1.00 . A A . 8 GLN HA 1 1 6 1082 1 1 8 GLN HB2 H -5.831 1.865 3.760 1.00 . A A . 8 GLN HB2 1 1 6 1083 1 1 8 GLN HB3 H -6.296 3.552 3.580 1.00 . A A . 8 GLN HB3 1 1 6 1084 1 1 8 GLN HE21 H -9.443 1.258 6.028 1.00 . A A . 8 GLN HE21 1 1 6 1085 1 1 8 GLN HE22 H -8.723 -0.264 6.416 1.00 . A A . 8 GLN HE22 1 1 6 1086 1 1 8 GLN HG2 H -7.142 3.115 5.646 1.00 . A A . 8 GLN HG2 1 1 6 1087 1 1 8 GLN HG3 H -8.540 2.716 4.648 1.00 . A A . 8 GLN HG3 1 1 6 1088 1 1 8 GLN N N -7.724 0.772 2.321 1.00 . A A . 8 GLN N 1 1 6 1089 1 1 8 GLN NE2 N -8.685 0.636 6.032 1.00 . A A . 8 GLN NE2 1 1 6 1090 1 1 8 GLN O O -6.530 3.782 0.791 1.00 . A A . 8 GLN O 1 1 6 1091 1 1 8 GLN OE1 O -6.541 0.323 5.443 1.00 . A A . 8 GLN OE1 1 1 6 1092 1 1 9 SER C C -3.864 2.713 -0.252 1.00 . A A . 9 SER C 1 1 6 1093 1 1 9 SER CA C -5.092 1.889 -0.635 1.00 . A A . 9 SER CA 1 1 6 1094 1 1 9 SER CB C -5.896 2.622 -1.710 1.00 . A A . 9 SER CB 1 1 6 1095 1 1 9 SER H H -6.006 0.712 0.869 1.00 . A A . 9 SER H 1 1 6 1096 1 1 9 SER HA H -4.764 0.938 -1.027 1.00 . A A . 9 SER HA 1 1 6 1097 1 1 9 SER HB2 H -6.917 2.275 -1.692 1.00 . A A . 9 SER HB2 1 1 6 1098 1 1 9 SER HB3 H -5.871 3.684 -1.513 1.00 . A A . 9 SER HB3 1 1 6 1099 1 1 9 SER HG H -6.072 2.248 -3.626 1.00 . A A . 9 SER HG 1 1 6 1100 1 1 9 SER N N -5.927 1.630 0.532 1.00 . A A . 9 SER N 1 1 6 1101 1 1 9 SER O O -3.528 3.692 -0.917 1.00 . A A . 9 SER O 1 1 6 1102 1 1 9 SER OG O -5.357 2.384 -2.999 1.00 . A A . 9 SER OG 1 1 6 1103 1 1 10 CYS C C -0.912 2.984 0.243 1.00 . A A . 10 CYS C 1 1 6 1104 1 1 10 CYS CA C -2.012 3.005 1.300 1.00 . A A . 10 CYS CA 1 1 6 1105 1 1 10 CYS CB C -1.504 2.369 2.595 1.00 . A A . 10 CYS CB 1 1 6 1106 1 1 10 CYS H H -3.518 1.519 1.315 1.00 . A A . 10 CYS H 1 1 6 1107 1 1 10 CYS HA H -2.286 4.031 1.496 1.00 . A A . 10 CYS HA 1 1 6 1108 1 1 10 CYS HB2 H -0.554 2.814 2.856 1.00 . A A . 10 CYS HB2 1 1 6 1109 1 1 10 CYS HB3 H -2.215 2.561 3.384 1.00 . A A . 10 CYS HB3 1 1 6 1110 1 1 10 CYS N N -3.201 2.308 0.825 1.00 . A A . 10 CYS N 1 1 6 1111 1 1 10 CYS O O -0.838 2.065 -0.575 1.00 . A A . 10 CYS O 1 1 6 1112 1 1 10 CYS SG S -1.260 0.567 2.491 1.00 . A A . 10 CYS SG 1 1 6 1113 1 1 11 PHE C C 2.191 3.180 -0.294 1.00 . A A . 11 PHE C 1 1 6 1114 1 1 11 PHE CA C 1.040 4.100 -0.690 1.00 . A A . 11 PHE CA 1 1 6 1115 1 1 11 PHE CB C 1.535 5.545 -0.782 1.00 . A A . 11 PHE CB 1 1 6 1116 1 1 11 PHE CD1 C 0.697 6.411 -2.983 1.00 . A A . 11 PHE CD1 1 1 6 1117 1 1 11 PHE CD2 C -0.252 7.294 -0.982 1.00 . A A . 11 PHE CD2 1 1 6 1118 1 1 11 PHE CE1 C -0.123 7.229 -3.736 1.00 . A A . 11 PHE CE1 1 1 6 1119 1 1 11 PHE CE2 C -1.075 8.115 -1.730 1.00 . A A . 11 PHE CE2 1 1 6 1120 1 1 11 PHE CG C 0.642 6.435 -1.599 1.00 . A A . 11 PHE CG 1 1 6 1121 1 1 11 PHE CZ C -1.011 8.081 -3.110 1.00 . A A . 11 PHE CZ 1 1 6 1122 1 1 11 PHE H H -0.167 4.704 0.941 1.00 . A A . 11 PHE H 1 1 6 1123 1 1 11 PHE HA H 0.666 3.795 -1.656 1.00 . A A . 11 PHE HA 1 1 6 1124 1 1 11 PHE HB2 H 1.597 5.960 0.212 1.00 . A A . 11 PHE HB2 1 1 6 1125 1 1 11 PHE HB3 H 2.516 5.554 -1.233 1.00 . A A . 11 PHE HB3 1 1 6 1126 1 1 11 PHE HD1 H 1.390 5.744 -3.475 1.00 . A A . 11 PHE HD1 1 1 6 1127 1 1 11 PHE HD2 H -0.303 7.321 0.098 1.00 . A A . 11 PHE HD2 1 1 6 1128 1 1 11 PHE HE1 H -0.072 7.200 -4.814 1.00 . A A . 11 PHE HE1 1 1 6 1129 1 1 11 PHE HE2 H -1.768 8.780 -1.236 1.00 . A A . 11 PHE HE2 1 1 6 1130 1 1 11 PHE HZ H -1.653 8.721 -3.696 1.00 . A A . 11 PHE HZ 1 1 6 1131 1 1 11 PHE N N -0.057 4.001 0.266 1.00 . A A . 11 PHE N 1 1 6 1132 1 1 11 PHE O O 2.357 2.818 0.870 1.00 . A A . 11 PHE O 1 1 6 1133 1 1 12 PRO C C 5.271 2.593 -0.289 1.00 . A A . 12 PRO C 1 1 6 1134 1 1 12 PRO CA C 4.154 1.908 -1.068 1.00 . A A . 12 PRO CA 1 1 6 1135 1 1 12 PRO CB C 4.620 1.573 -2.487 1.00 . A A . 12 PRO CB 1 1 6 1136 1 1 12 PRO CD C 2.865 3.184 -2.700 1.00 . A A . 12 PRO CD 1 1 6 1137 1 1 12 PRO CG C 4.154 2.719 -3.318 1.00 . A A . 12 PRO CG 1 1 6 1138 1 1 12 PRO HA H 3.865 1.000 -0.559 1.00 . A A . 12 PRO HA 1 1 6 1139 1 1 12 PRO HB2 H 5.697 1.483 -2.504 1.00 . A A . 12 PRO HB2 1 1 6 1140 1 1 12 PRO HB3 H 4.170 0.645 -2.808 1.00 . A A . 12 PRO HB3 1 1 6 1141 1 1 12 PRO HD2 H 2.766 4.254 -2.794 1.00 . A A . 12 PRO HD2 1 1 6 1142 1 1 12 PRO HD3 H 2.025 2.683 -3.157 1.00 . A A . 12 PRO HD3 1 1 6 1143 1 1 12 PRO HG2 H 4.889 3.510 -3.297 1.00 . A A . 12 PRO HG2 1 1 6 1144 1 1 12 PRO HG3 H 3.985 2.390 -4.333 1.00 . A A . 12 PRO HG3 1 1 6 1145 1 1 12 PRO N N 3.005 2.791 -1.287 1.00 . A A . 12 PRO N 1 1 6 1146 1 1 12 PRO O O 5.432 3.812 -0.359 1.00 . A A . 12 PRO O 1 1 6 1147 1 1 13 ASP C C 8.278 1.318 1.345 1.00 . A A . 13 ASP C 1 1 6 1148 1 1 13 ASP CA C 7.145 2.334 1.243 1.00 . A A . 13 ASP CA 1 1 6 1149 1 1 13 ASP CB C 6.659 2.715 2.643 1.00 . A A . 13 ASP CB 1 1 6 1150 1 1 13 ASP CG C 5.595 3.796 2.612 1.00 . A A . 13 ASP CG 1 1 6 1151 1 1 13 ASP H H 5.862 0.839 0.466 1.00 . A A . 13 ASP H 1 1 6 1152 1 1 13 ASP HA H 7.513 3.217 0.746 1.00 . A A . 13 ASP HA 1 1 6 1153 1 1 13 ASP HB2 H 6.244 1.842 3.124 1.00 . A A . 13 ASP HB2 1 1 6 1154 1 1 13 ASP HB3 H 7.496 3.076 3.221 1.00 . A A . 13 ASP HB3 1 1 6 1155 1 1 13 ASP N N 6.040 1.802 0.452 1.00 . A A . 13 ASP N 1 1 6 1156 1 1 13 ASP O O 8.584 0.820 2.428 1.00 . A A . 13 ASP O 1 1 6 1157 1 1 13 ASP OD1 O 4.412 3.456 2.401 1.00 . A A . 13 ASP OD1 1 1 6 1158 1 1 13 ASP OD2 O 5.945 4.978 2.800 1.00 . A A . 13 ASP OD2 1 1 7 1159 1 1 1 GLY C C 8.784 -1.162 -0.730 1.00 . A A . 1 GLY C 1 1 7 1160 1 1 1 GLY CA C 9.626 0.085 -0.543 1.00 . A A . 1 GLY CA 1 1 7 1161 1 1 1 GLY H1 H 9.230 2.079 0.045 1.00 . A A . 1 GLY H1 1 1 7 1162 1 1 1 GLY HA2 H 9.972 0.421 -1.509 1.00 . A A . 1 GLY HA2 1 1 7 1163 1 1 1 GLY HA3 H 10.482 -0.161 0.068 1.00 . A A . 1 GLY HA3 1 1 7 1164 1 1 1 GLY N N 8.890 1.161 0.093 1.00 . A A . 1 GLY N 1 1 7 1165 1 1 1 GLY O O 8.538 -1.589 -1.857 1.00 . A A . 1 GLY O 1 1 7 1166 1 1 2 ARG C C 6.138 -2.650 -0.222 1.00 . A A . 2 ARG C 1 1 7 1167 1 1 2 ARG CA C 7.526 -2.955 0.332 1.00 . A A . 2 ARG CA 1 1 7 1168 1 1 2 ARG CB C 7.406 -3.569 1.728 1.00 . A A . 2 ARG CB 1 1 7 1169 1 1 2 ARG CD C 8.058 -5.643 2.988 1.00 . A A . 2 ARG CD 1 1 7 1170 1 1 2 ARG CG C 8.535 -4.528 2.070 1.00 . A A . 2 ARG CG 1 1 7 1171 1 1 2 ARG CZ C 10.114 -6.957 3.286 1.00 . A A . 2 ARG CZ 1 1 7 1172 1 1 2 ARG H H 8.572 -1.359 1.248 1.00 . A A . 2 ARG H 1 1 7 1173 1 1 2 ARG HA H 8.015 -3.661 -0.321 1.00 . A A . 2 ARG HA 1 1 7 1174 1 1 2 ARG HB2 H 7.405 -2.774 2.460 1.00 . A A . 2 ARG HB2 1 1 7 1175 1 1 2 ARG HB3 H 6.473 -4.107 1.792 1.00 . A A . 2 ARG HB3 1 1 7 1176 1 1 2 ARG HD2 H 8.118 -5.300 4.010 1.00 . A A . 2 ARG HD2 1 1 7 1177 1 1 2 ARG HD3 H 7.031 -5.876 2.745 1.00 . A A . 2 ARG HD3 1 1 7 1178 1 1 2 ARG HE H 8.455 -7.621 2.399 1.00 . A A . 2 ARG HE 1 1 7 1179 1 1 2 ARG HG2 H 8.912 -4.965 1.157 1.00 . A A . 2 ARG HG2 1 1 7 1180 1 1 2 ARG HG3 H 9.323 -3.980 2.563 1.00 . A A . 2 ARG HG3 1 1 7 1181 1 1 2 ARG HH11 H 10.192 -5.078 4.021 1.00 . A A . 2 ARG HH11 1 1 7 1182 1 1 2 ARG HH12 H 11.636 -6.014 4.225 1.00 . A A . 2 ARG HH12 1 1 7 1183 1 1 2 ARG HH21 H 10.350 -8.866 2.661 1.00 . A A . 2 ARG HH21 1 1 7 1184 1 1 2 ARG HH22 H 11.724 -8.169 3.450 1.00 . A A . 2 ARG HH22 1 1 7 1185 1 1 2 ARG N N 8.343 -1.747 0.378 1.00 . A A . 2 ARG N 1 1 7 1186 1 1 2 ARG NE N 8.866 -6.852 2.845 1.00 . A A . 2 ARG NE 1 1 7 1187 1 1 2 ARG NH1 N 10.695 -5.932 3.893 1.00 . A A . 2 ARG NH1 1 1 7 1188 1 1 2 ARG NH2 N 10.784 -8.090 3.118 1.00 . A A . 2 ARG NH2 1 1 7 1189 1 1 2 ARG O O 5.678 -1.507 -0.222 1.00 . A A . 2 ARG O 1 1 7 1190 1 1 3 PRO C C 3.059 -3.245 -0.213 1.00 . A A . 3 PRO C 1 1 7 1191 1 1 3 PRO CA C 4.106 -3.565 -1.275 1.00 . A A . 3 PRO CA 1 1 7 1192 1 1 3 PRO CB C 3.844 -4.944 -1.886 1.00 . A A . 3 PRO CB 1 1 7 1193 1 1 3 PRO CD C 5.937 -5.085 -0.740 1.00 . A A . 3 PRO CD 1 1 7 1194 1 1 3 PRO CG C 4.711 -5.874 -1.110 1.00 . A A . 3 PRO CG 1 1 7 1195 1 1 3 PRO HA H 4.073 -2.814 -2.050 1.00 . A A . 3 PRO HA 1 1 7 1196 1 1 3 PRO HB2 H 2.798 -5.196 -1.779 1.00 . A A . 3 PRO HB2 1 1 7 1197 1 1 3 PRO HB3 H 4.112 -4.935 -2.932 1.00 . A A . 3 PRO HB3 1 1 7 1198 1 1 3 PRO HD2 H 6.302 -5.389 0.230 1.00 . A A . 3 PRO HD2 1 1 7 1199 1 1 3 PRO HD3 H 6.705 -5.207 -1.490 1.00 . A A . 3 PRO HD3 1 1 7 1200 1 1 3 PRO HG2 H 4.194 -6.202 -0.221 1.00 . A A . 3 PRO HG2 1 1 7 1201 1 1 3 PRO HG3 H 4.981 -6.721 -1.723 1.00 . A A . 3 PRO HG3 1 1 7 1202 1 1 3 PRO N N 5.451 -3.695 -0.708 1.00 . A A . 3 PRO N 1 1 7 1203 1 1 3 PRO O O 2.899 -3.984 0.759 1.00 . A A . 3 PRO O 1 1 7 1204 1 1 4 CYS C C -0.071 -1.817 -0.100 1.00 . A A . 4 CYS C 1 1 7 1205 1 1 4 CYS CA C 1.314 -1.722 0.535 1.00 . A A . 4 CYS CA 1 1 7 1206 1 1 4 CYS CB C 1.574 -0.290 1.006 1.00 . A A . 4 CYS CB 1 1 7 1207 1 1 4 CYS H H 2.520 -1.591 -1.200 1.00 . A A . 4 CYS H 1 1 7 1208 1 1 4 CYS HA H 1.352 -2.384 1.386 1.00 . A A . 4 CYS HA 1 1 7 1209 1 1 4 CYS HB2 H 2.639 -0.121 1.049 1.00 . A A . 4 CYS HB2 1 1 7 1210 1 1 4 CYS HB3 H 1.135 0.399 0.299 1.00 . A A . 4 CYS HB3 1 1 7 1211 1 1 4 CYS N N 2.346 -2.141 -0.406 1.00 . A A . 4 CYS N 1 1 7 1212 1 1 4 CYS O O -0.480 -0.937 -0.857 1.00 . A A . 4 CYS O 1 1 7 1213 1 1 4 CYS SG S 0.886 0.088 2.650 1.00 . A A . 4 CYS SG 1 1 7 1214 1 1 5 TYR C C -3.157 -3.188 0.793 1.00 . A A . 5 TYR C 1 1 7 1215 1 1 5 TYR CA C -2.124 -3.104 -0.326 1.00 . A A . 5 TYR CA 1 1 7 1216 1 1 5 TYR CB C -2.160 -4.380 -1.168 1.00 . A A . 5 TYR CB 1 1 7 1217 1 1 5 TYR CD1 C -0.709 -3.368 -2.969 1.00 . A A . 5 TYR CD1 1 1 7 1218 1 1 5 TYR CD2 C -0.333 -5.644 -2.369 1.00 . A A . 5 TYR CD2 1 1 7 1219 1 1 5 TYR CE1 C 0.307 -3.442 -3.902 1.00 . A A . 5 TYR CE1 1 1 7 1220 1 1 5 TYR CE2 C 0.685 -5.727 -3.298 1.00 . A A . 5 TYR CE2 1 1 7 1221 1 1 5 TYR CG C -1.047 -4.466 -2.188 1.00 . A A . 5 TYR CG 1 1 7 1222 1 1 5 TYR CZ C 1.000 -4.623 -4.063 1.00 . A A . 5 TYR CZ 1 1 7 1223 1 1 5 TYR H H -0.407 -3.558 0.823 1.00 . A A . 5 TYR H 1 1 7 1224 1 1 5 TYR HA H -2.363 -2.261 -0.958 1.00 . A A . 5 TYR HA 1 1 7 1225 1 1 5 TYR HB2 H -2.077 -5.235 -0.515 1.00 . A A . 5 TYR HB2 1 1 7 1226 1 1 5 TYR HB3 H -3.100 -4.427 -1.697 1.00 . A A . 5 TYR HB3 1 1 7 1227 1 1 5 TYR HD1 H -1.254 -2.444 -2.840 1.00 . A A . 5 TYR HD1 1 1 7 1228 1 1 5 TYR HD2 H -0.584 -6.507 -1.767 1.00 . A A . 5 TYR HD2 1 1 7 1229 1 1 5 TYR HE1 H 0.555 -2.578 -4.501 1.00 . A A . 5 TYR HE1 1 1 7 1230 1 1 5 TYR HE2 H 1.228 -6.651 -3.425 1.00 . A A . 5 TYR HE2 1 1 7 1231 1 1 5 TYR HH H 1.866 -4.049 -5.681 1.00 . A A . 5 TYR HH 1 1 7 1232 1 1 5 TYR N N -0.786 -2.891 0.214 1.00 . A A . 5 TYR N 1 1 7 1233 1 1 5 TYR O O -3.156 -4.131 1.586 1.00 . A A . 5 TYR O 1 1 7 1234 1 1 5 TYR OH O 2.014 -4.701 -4.992 1.00 . A A . 5 TYR OH 1 1 7 1235 1 1 6 THR C C -6.415 -1.722 1.282 1.00 . A A . 6 THR C 1 1 7 1236 1 1 6 THR CA C -5.079 -2.157 1.873 1.00 . A A . 6 THR CA 1 1 7 1237 1 1 6 THR CB C -4.703 -1.201 3.020 1.00 . A A . 6 THR CB 1 1 7 1238 1 1 6 THR CG2 C -3.592 -1.792 3.875 1.00 . A A . 6 THR CG2 1 1 7 1239 1 1 6 THR H H -3.989 -1.473 0.191 1.00 . A A . 6 THR H 1 1 7 1240 1 1 6 THR HA H -5.183 -3.152 2.280 1.00 . A A . 6 THR HA 1 1 7 1241 1 1 6 THR HB H -5.573 -1.049 3.642 1.00 . A A . 6 THR HB 1 1 7 1242 1 1 6 THR HG1 H -4.730 0.770 2.957 1.00 . A A . 6 THR HG1 1 1 7 1243 1 1 6 THR HG21 H -3.264 -1.058 4.597 1.00 . A A . 6 THR HG21 1 1 7 1244 1 1 6 THR HG22 H -2.762 -2.072 3.244 1.00 . A A . 6 THR HG22 1 1 7 1245 1 1 6 THR HG23 H -3.961 -2.664 4.392 1.00 . A A . 6 THR HG23 1 1 7 1246 1 1 6 THR N N -4.040 -2.196 0.851 1.00 . A A . 6 THR N 1 1 7 1247 1 1 6 THR O O -6.527 -1.492 0.077 1.00 . A A . 6 THR O 1 1 7 1248 1 1 6 THR OG1 O -4.282 0.061 2.489 1.00 . A A . 6 THR OG1 1 1 7 1249 1 1 7 LEU C C -8.739 0.229 1.168 1.00 . A A . 7 LEU C 1 1 7 1250 1 1 7 LEU CA C -8.756 -1.201 1.698 1.00 . A A . 7 LEU CA 1 1 7 1251 1 1 7 LEU CB C -9.753 -1.317 2.852 1.00 . A A . 7 LEU CB 1 1 7 1252 1 1 7 LEU CD1 C -11.455 -2.752 1.700 1.00 . A A . 7 LEU CD1 1 1 7 1253 1 1 7 LEU CD2 C -9.621 -3.814 3.028 1.00 . A A . 7 LEU CD2 1 1 7 1254 1 1 7 LEU CG C -10.554 -2.618 2.918 1.00 . A A . 7 LEU CG 1 1 7 1255 1 1 7 LEU H H -7.275 -1.806 3.084 1.00 . A A . 7 LEU H 1 1 7 1256 1 1 7 LEU HA H -9.061 -1.863 0.901 1.00 . A A . 7 LEU HA 1 1 7 1257 1 1 7 LEU HB2 H -9.202 -1.221 3.775 1.00 . A A . 7 LEU HB2 1 1 7 1258 1 1 7 LEU HB3 H -10.454 -0.499 2.767 1.00 . A A . 7 LEU HB3 1 1 7 1259 1 1 7 LEU HD11 H -11.664 -1.774 1.297 1.00 . A A . 7 LEU HD11 1 1 7 1260 1 1 7 LEU HD12 H -12.380 -3.229 1.987 1.00 . A A . 7 LEU HD12 1 1 7 1261 1 1 7 LEU HD13 H -10.959 -3.352 0.950 1.00 . A A . 7 LEU HD13 1 1 7 1262 1 1 7 LEU HD21 H -9.195 -4.029 2.059 1.00 . A A . 7 LEU HD21 1 1 7 1263 1 1 7 LEU HD22 H -10.176 -4.674 3.376 1.00 . A A . 7 LEU HD22 1 1 7 1264 1 1 7 LEU HD23 H -8.830 -3.590 3.728 1.00 . A A . 7 LEU HD23 1 1 7 1265 1 1 7 LEU HG H -11.184 -2.601 3.797 1.00 . A A . 7 LEU HG 1 1 7 1266 1 1 7 LEU N N -7.426 -1.609 2.136 1.00 . A A . 7 LEU N 1 1 7 1267 1 1 7 LEU O O -9.413 0.546 0.188 1.00 . A A . 7 LEU O 1 1 7 1268 1 1 8 GLN C C -6.642 2.700 0.519 1.00 . A A . 8 GLN C 1 1 7 1269 1 1 8 GLN CA C -7.858 2.484 1.414 1.00 . A A . 8 GLN CA 1 1 7 1270 1 1 8 GLN CB C -7.767 3.390 2.643 1.00 . A A . 8 GLN CB 1 1 7 1271 1 1 8 GLN CD C -9.889 4.689 3.080 1.00 . A A . 8 GLN CD 1 1 7 1272 1 1 8 GLN CG C -9.061 3.470 3.437 1.00 . A A . 8 GLN CG 1 1 7 1273 1 1 8 GLN H H -7.450 0.776 2.595 1.00 . A A . 8 GLN H 1 1 7 1274 1 1 8 GLN HA H -8.747 2.735 0.858 1.00 . A A . 8 GLN HA 1 1 7 1275 1 1 8 GLN HB2 H -6.992 3.016 3.296 1.00 . A A . 8 GLN HB2 1 1 7 1276 1 1 8 GLN HB3 H -7.505 4.387 2.322 1.00 . A A . 8 GLN HB3 1 1 7 1277 1 1 8 GLN HE21 H -9.587 5.454 4.891 1.00 . A A . 8 GLN HE21 1 1 7 1278 1 1 8 GLN HE22 H -10.555 6.409 3.824 1.00 . A A . 8 GLN HE22 1 1 7 1279 1 1 8 GLN HG2 H -9.646 2.585 3.237 1.00 . A A . 8 GLN HG2 1 1 7 1280 1 1 8 GLN HG3 H -8.821 3.510 4.489 1.00 . A A . 8 GLN HG3 1 1 7 1281 1 1 8 GLN N N -7.963 1.088 1.821 1.00 . A A . 8 GLN N 1 1 7 1282 1 1 8 GLN NE2 N -10.025 5.610 4.028 1.00 . A A . 8 GLN NE2 1 1 7 1283 1 1 8 GLN O O -6.192 3.829 0.327 1.00 . A A . 8 GLN O 1 1 7 1284 1 1 8 GLN OE1 O -10.402 4.801 1.967 1.00 . A A . 8 GLN OE1 1 1 7 1285 1 1 9 SER C C -3.831 2.489 -0.250 1.00 . A A . 9 SER C 1 1 7 1286 1 1 9 SER CA C -4.948 1.678 -0.900 1.00 . A A . 9 SER CA 1 1 7 1287 1 1 9 SER CB C -5.328 2.299 -2.246 1.00 . A A . 9 SER CB 1 1 7 1288 1 1 9 SER H H -6.518 0.736 0.163 1.00 . A A . 9 SER H 1 1 7 1289 1 1 9 SER HA H -4.596 0.670 -1.064 1.00 . A A . 9 SER HA 1 1 7 1290 1 1 9 SER HB2 H -5.270 3.374 -2.173 1.00 . A A . 9 SER HB2 1 1 7 1291 1 1 9 SER HB3 H -4.642 1.952 -3.005 1.00 . A A . 9 SER HB3 1 1 7 1292 1 1 9 SER HG H -7.273 2.534 -2.206 1.00 . A A . 9 SER HG 1 1 7 1293 1 1 9 SER N N -6.114 1.609 -0.028 1.00 . A A . 9 SER N 1 1 7 1294 1 1 9 SER O O -3.544 3.614 -0.662 1.00 . A A . 9 SER O 1 1 7 1295 1 1 9 SER OG O -6.646 1.937 -2.620 1.00 . A A . 9 SER OG 1 1 7 1296 1 1 10 CYS C C -0.907 2.761 0.567 1.00 . A A . 10 CYS C 1 1 7 1297 1 1 10 CYS CA C -2.118 2.577 1.477 1.00 . A A . 10 CYS CA 1 1 7 1298 1 1 10 CYS CB C -1.722 1.774 2.718 1.00 . A A . 10 CYS CB 1 1 7 1299 1 1 10 CYS H H -3.478 1.012 1.051 1.00 . A A . 10 CYS H 1 1 7 1300 1 1 10 CYS HA H -2.472 3.549 1.786 1.00 . A A . 10 CYS HA 1 1 7 1301 1 1 10 CYS HB2 H -0.905 2.276 3.216 1.00 . A A . 10 CYS HB2 1 1 7 1302 1 1 10 CYS HB3 H -2.567 1.720 3.388 1.00 . A A . 10 CYS HB3 1 1 7 1303 1 1 10 CYS N N -3.204 1.910 0.768 1.00 . A A . 10 CYS N 1 1 7 1304 1 1 10 CYS O O -0.559 1.871 -0.208 1.00 . A A . 10 CYS O 1 1 7 1305 1 1 10 CYS SG S -1.188 0.070 2.360 1.00 . A A . 10 CYS SG 1 1 7 1306 1 1 11 PHE C C 2.014 3.206 0.105 1.00 . A A . 11 PHE C 1 1 7 1307 1 1 11 PHE CA C 0.904 4.224 -0.144 1.00 . A A . 11 PHE CA 1 1 7 1308 1 1 11 PHE CB C 1.412 5.634 0.159 1.00 . A A . 11 PHE CB 1 1 7 1309 1 1 11 PHE CD1 C 0.736 6.874 -1.914 1.00 . A A . 11 PHE CD1 1 1 7 1310 1 1 11 PHE CD2 C -0.185 7.570 0.171 1.00 . A A . 11 PHE CD2 1 1 7 1311 1 1 11 PHE CE1 C 0.026 7.865 -2.564 1.00 . A A . 11 PHE CE1 1 1 7 1312 1 1 11 PHE CE2 C -0.897 8.564 -0.473 1.00 . A A . 11 PHE CE2 1 1 7 1313 1 1 11 PHE CG C 0.639 6.714 -0.542 1.00 . A A . 11 PHE CG 1 1 7 1314 1 1 11 PHE CZ C -0.791 8.713 -1.841 1.00 . A A . 11 PHE CZ 1 1 7 1315 1 1 11 PHE H H -0.594 4.592 1.307 1.00 . A A . 11 PHE H 1 1 7 1316 1 1 11 PHE HA H 0.609 4.172 -1.181 1.00 . A A . 11 PHE HA 1 1 7 1317 1 1 11 PHE HB2 H 1.342 5.814 1.222 1.00 . A A . 11 PHE HB2 1 1 7 1318 1 1 11 PHE HB3 H 2.445 5.711 -0.147 1.00 . A A . 11 PHE HB3 1 1 7 1319 1 1 11 PHE HD1 H 1.377 6.211 -2.482 1.00 . A A . 11 PHE HD1 1 1 7 1320 1 1 11 PHE HD2 H -0.268 7.456 1.243 1.00 . A A . 11 PHE HD2 1 1 7 1321 1 1 11 PHE HE1 H 0.112 7.979 -3.634 1.00 . A A . 11 PHE HE1 1 1 7 1322 1 1 11 PHE HE2 H -1.535 9.225 0.095 1.00 . A A . 11 PHE HE2 1 1 7 1323 1 1 11 PHE HZ H -1.347 9.488 -2.347 1.00 . A A . 11 PHE HZ 1 1 7 1324 1 1 11 PHE N N -0.268 3.922 0.669 1.00 . A A . 11 PHE N 1 1 7 1325 1 1 11 PHE O O 2.083 2.569 1.155 1.00 . A A . 11 PHE O 1 1 7 1326 1 1 12 PRO C C 5.081 2.560 0.207 1.00 . A A . 12 PRO C 1 1 7 1327 1 1 12 PRO CA C 4.028 2.112 -0.801 1.00 . A A . 12 PRO CA 1 1 7 1328 1 1 12 PRO CB C 4.606 2.121 -2.218 1.00 . A A . 12 PRO CB 1 1 7 1329 1 1 12 PRO CD C 2.884 3.777 -2.167 1.00 . A A . 12 PRO CD 1 1 7 1330 1 1 12 PRO CG C 4.217 3.445 -2.778 1.00 . A A . 12 PRO CG 1 1 7 1331 1 1 12 PRO HA H 3.694 1.115 -0.553 1.00 . A A . 12 PRO HA 1 1 7 1332 1 1 12 PRO HB2 H 5.681 2.011 -2.171 1.00 . A A . 12 PRO HB2 1 1 7 1333 1 1 12 PRO HB3 H 4.181 1.310 -2.789 1.00 . A A . 12 PRO HB3 1 1 7 1334 1 1 12 PRO HD2 H 2.797 4.841 -2.005 1.00 . A A . 12 PRO HD2 1 1 7 1335 1 1 12 PRO HD3 H 2.082 3.423 -2.797 1.00 . A A . 12 PRO HD3 1 1 7 1336 1 1 12 PRO HG2 H 4.950 4.189 -2.505 1.00 . A A . 12 PRO HG2 1 1 7 1337 1 1 12 PRO HG3 H 4.130 3.377 -3.852 1.00 . A A . 12 PRO HG3 1 1 7 1338 1 1 12 PRO N N 2.904 3.050 -0.887 1.00 . A A . 12 PRO N 1 1 7 1339 1 1 12 PRO O O 5.082 3.709 0.649 1.00 . A A . 12 PRO O 1 1 7 1340 1 1 13 ASP C C 8.259 1.071 1.271 1.00 . A A . 13 ASP C 1 1 7 1341 1 1 13 ASP CA C 7.035 1.948 1.522 1.00 . A A . 13 ASP CA 1 1 7 1342 1 1 13 ASP CB C 6.533 1.745 2.953 1.00 . A A . 13 ASP CB 1 1 7 1343 1 1 13 ASP CG C 5.745 0.461 3.114 1.00 . A A . 13 ASP CG 1 1 7 1344 1 1 13 ASP H H 5.922 0.747 0.180 1.00 . A A . 13 ASP H 1 1 7 1345 1 1 13 ASP HA H 7.315 2.981 1.391 1.00 . A A . 13 ASP HA 1 1 7 1346 1 1 13 ASP HB2 H 7.381 1.712 3.623 1.00 . A A . 13 ASP HB2 1 1 7 1347 1 1 13 ASP HB3 H 5.897 2.575 3.225 1.00 . A A . 13 ASP HB3 1 1 7 1348 1 1 13 ASP N N 5.975 1.646 0.567 1.00 . A A . 13 ASP N 1 1 7 1349 1 1 13 ASP O O 8.719 0.360 2.164 1.00 . A A . 13 ASP O 1 1 7 1350 1 1 13 ASP OD1 O 6.196 -0.582 2.595 1.00 . A A . 13 ASP OD1 1 1 7 1351 1 1 13 ASP OD2 O 4.677 0.498 3.761 1.00 . A A . 13 ASP OD2 1 1 8 1352 1 1 1 GLY C C 9.039 -1.206 -0.462 1.00 . A A . 1 GLY C 1 1 8 1353 1 1 1 GLY CA C 9.826 0.064 -0.207 1.00 . A A . 1 GLY CA 1 1 8 1354 1 1 1 GLY H1 H 9.259 2.096 -0.022 1.00 . A A . 1 GLY H1 1 1 8 1355 1 1 1 GLY HA2 H 10.365 0.327 -1.105 1.00 . A A . 1 GLY HA2 1 1 8 1356 1 1 1 GLY HA3 H 10.536 -0.118 0.586 1.00 . A A . 1 GLY HA3 1 1 8 1357 1 1 1 GLY N N 8.975 1.177 0.171 1.00 . A A . 1 GLY N 1 1 8 1358 1 1 1 GLY O O 9.122 -1.790 -1.542 1.00 . A A . 1 GLY O 1 1 8 1359 1 1 2 ARG C C 6.077 -2.525 -0.113 1.00 . A A . 2 ARG C 1 1 8 1360 1 1 2 ARG CA C 7.471 -2.847 0.416 1.00 . A A . 2 ARG CA 1 1 8 1361 1 1 2 ARG CB C 7.363 -3.549 1.771 1.00 . A A . 2 ARG CB 1 1 8 1362 1 1 2 ARG CD C 8.005 -5.718 2.867 1.00 . A A . 2 ARG CD 1 1 8 1363 1 1 2 ARG CG C 8.486 -4.539 2.035 1.00 . A A . 2 ARG CG 1 1 8 1364 1 1 2 ARG CZ C 7.631 -6.261 5.235 1.00 . A A . 2 ARG CZ 1 1 8 1365 1 1 2 ARG H H 8.248 -1.127 1.373 1.00 . A A . 2 ARG H 1 1 8 1366 1 1 2 ARG HA H 7.965 -3.504 -0.282 1.00 . A A . 2 ARG HA 1 1 8 1367 1 1 2 ARG HB2 H 7.379 -2.803 2.552 1.00 . A A . 2 ARG HB2 1 1 8 1368 1 1 2 ARG HB3 H 6.425 -4.082 1.813 1.00 . A A . 2 ARG HB3 1 1 8 1369 1 1 2 ARG HD2 H 7.049 -6.044 2.484 1.00 . A A . 2 ARG HD2 1 1 8 1370 1 1 2 ARG HD3 H 8.722 -6.520 2.777 1.00 . A A . 2 ARG HD3 1 1 8 1371 1 1 2 ARG HE H 7.929 -4.423 4.520 1.00 . A A . 2 ARG HE 1 1 8 1372 1 1 2 ARG HG2 H 8.858 -4.907 1.090 1.00 . A A . 2 ARG HG2 1 1 8 1373 1 1 2 ARG HG3 H 9.280 -4.035 2.565 1.00 . A A . 2 ARG HG3 1 1 8 1374 1 1 2 ARG HH11 H 7.622 -7.849 3.987 1.00 . A A . 2 ARG HH11 1 1 8 1375 1 1 2 ARG HH12 H 7.359 -8.218 5.658 1.00 . A A . 2 ARG HH12 1 1 8 1376 1 1 2 ARG HH21 H 7.584 -4.896 6.725 1.00 . A A . 2 ARG HH21 1 1 8 1377 1 1 2 ARG HH22 H 7.338 -6.538 7.215 1.00 . A A . 2 ARG HH22 1 1 8 1378 1 1 2 ARG N N 8.273 -1.635 0.536 1.00 . A A . 2 ARG N 1 1 8 1379 1 1 2 ARG NE N 7.856 -5.369 4.277 1.00 . A A . 2 ARG NE 1 1 8 1380 1 1 2 ARG NH1 N 7.528 -7.549 4.935 1.00 . A A . 2 ARG NH1 1 1 8 1381 1 1 2 ARG NH2 N 7.507 -5.866 6.496 1.00 . A A . 2 ARG NH2 1 1 8 1382 1 1 2 ARG O O 5.603 -1.390 -0.037 1.00 . A A . 2 ARG O 1 1 8 1383 1 1 3 PRO C C 3.005 -3.160 -0.138 1.00 . A A . 3 PRO C 1 1 8 1384 1 1 3 PRO CA C 4.054 -3.395 -1.220 1.00 . A A . 3 PRO CA 1 1 8 1385 1 1 3 PRO CB C 3.808 -4.733 -1.921 1.00 . A A . 3 PRO CB 1 1 8 1386 1 1 3 PRO CD C 5.906 -4.923 -0.791 1.00 . A A . 3 PRO CD 1 1 8 1387 1 1 3 PRO CG C 4.689 -5.701 -1.210 1.00 . A A . 3 PRO CG 1 1 8 1388 1 1 3 PRO HA H 4.008 -2.594 -1.943 1.00 . A A . 3 PRO HA 1 1 8 1389 1 1 3 PRO HB2 H 2.766 -5.004 -1.828 1.00 . A A . 3 PRO HB2 1 1 8 1390 1 1 3 PRO HB3 H 4.073 -4.651 -2.964 1.00 . A A . 3 PRO HB3 1 1 8 1391 1 1 3 PRO HD2 H 6.278 -5.285 0.155 1.00 . A A . 3 PRO HD2 1 1 8 1392 1 1 3 PRO HD3 H 6.673 -4.986 -1.549 1.00 . A A . 3 PRO HD3 1 1 8 1393 1 1 3 PRO HG2 H 4.180 -6.094 -0.344 1.00 . A A . 3 PRO HG2 1 1 8 1394 1 1 3 PRO HG3 H 4.969 -6.502 -1.878 1.00 . A A . 3 PRO HG3 1 1 8 1395 1 1 3 PRO N N 5.403 -3.545 -0.666 1.00 . A A . 3 PRO N 1 1 8 1396 1 1 3 PRO O O 2.869 -3.956 0.792 1.00 . A A . 3 PRO O 1 1 8 1397 1 1 4 CYS C C -0.137 -1.646 0.029 1.00 . A A . 4 CYS C 1 1 8 1398 1 1 4 CYS CA C 1.230 -1.722 0.702 1.00 . A A . 4 CYS CA 1 1 8 1399 1 1 4 CYS CB C 1.553 -0.389 1.380 1.00 . A A . 4 CYS CB 1 1 8 1400 1 1 4 CYS H H 2.422 -1.467 -1.028 1.00 . A A . 4 CYS H 1 1 8 1401 1 1 4 CYS HA H 1.206 -2.500 1.451 1.00 . A A . 4 CYS HA 1 1 8 1402 1 1 4 CYS HB2 H 2.614 -0.201 1.300 1.00 . A A . 4 CYS HB2 1 1 8 1403 1 1 4 CYS HB3 H 1.015 0.401 0.877 1.00 . A A . 4 CYS HB3 1 1 8 1404 1 1 4 CYS N N 2.266 -2.063 -0.264 1.00 . A A . 4 CYS N 1 1 8 1405 1 1 4 CYS O O -0.504 -0.619 -0.542 1.00 . A A . 4 CYS O 1 1 8 1406 1 1 4 CYS SG S 1.112 -0.325 3.146 1.00 . A A . 4 CYS SG 1 1 8 1407 1 1 5 TYR C C -3.281 -3.078 0.553 1.00 . A A . 5 TYR C 1 1 8 1408 1 1 5 TYR CA C -2.214 -2.797 -0.502 1.00 . A A . 5 TYR CA 1 1 8 1409 1 1 5 TYR CB C -2.258 -3.877 -1.584 1.00 . A A . 5 TYR CB 1 1 8 1410 1 1 5 TYR CD1 C -1.210 -2.600 -3.495 1.00 . A A . 5 TYR CD1 1 1 8 1411 1 1 5 TYR CD2 C -0.194 -4.648 -2.819 1.00 . A A . 5 TYR CD2 1 1 8 1412 1 1 5 TYR CE1 C -0.246 -2.440 -4.473 1.00 . A A . 5 TYR CE1 1 1 8 1413 1 1 5 TYR CE2 C 0.774 -4.495 -3.793 1.00 . A A . 5 TYR CE2 1 1 8 1414 1 1 5 TYR CG C -1.201 -3.705 -2.653 1.00 . A A . 5 TYR CG 1 1 8 1415 1 1 5 TYR CZ C 0.743 -3.389 -4.617 1.00 . A A . 5 TYR CZ 1 1 8 1416 1 1 5 TYR H H -0.541 -3.527 0.572 1.00 . A A . 5 TYR H 1 1 8 1417 1 1 5 TYR HA H -2.415 -1.838 -0.954 1.00 . A A . 5 TYR HA 1 1 8 1418 1 1 5 TYR HB2 H -2.111 -4.843 -1.127 1.00 . A A . 5 TYR HB2 1 1 8 1419 1 1 5 TYR HB3 H -3.223 -3.854 -2.067 1.00 . A A . 5 TYR HB3 1 1 8 1420 1 1 5 TYR HD1 H -1.986 -1.858 -3.379 1.00 . A A . 5 TYR HD1 1 1 8 1421 1 1 5 TYR HD2 H -0.173 -5.513 -2.172 1.00 . A A . 5 TYR HD2 1 1 8 1422 1 1 5 TYR HE1 H -0.270 -1.574 -5.118 1.00 . A A . 5 TYR HE1 1 1 8 1423 1 1 5 TYR HE2 H 1.549 -5.239 -3.907 1.00 . A A . 5 TYR HE2 1 1 8 1424 1 1 5 TYR HH H 1.542 -3.855 -6.303 1.00 . A A . 5 TYR HH 1 1 8 1425 1 1 5 TYR N N -0.888 -2.739 0.102 1.00 . A A . 5 TYR N 1 1 8 1426 1 1 5 TYR O O -3.228 -4.088 1.256 1.00 . A A . 5 TYR O 1 1 8 1427 1 1 5 TYR OH O 1.705 -3.234 -5.589 1.00 . A A . 5 TYR OH 1 1 8 1428 1 1 6 THR C C -6.606 -1.649 1.133 1.00 . A A . 6 THR C 1 1 8 1429 1 1 6 THR CA C -5.329 -2.320 1.628 1.00 . A A . 6 THR CA 1 1 8 1430 1 1 6 THR CB C -4.943 -1.723 2.994 1.00 . A A . 6 THR CB 1 1 8 1431 1 1 6 THR CG2 C -3.771 -2.476 3.602 1.00 . A A . 6 THR CG2 1 1 8 1432 1 1 6 THR H H -4.237 -1.389 0.072 1.00 . A A . 6 THR H 1 1 8 1433 1 1 6 THR HA H -5.517 -3.376 1.760 1.00 . A A . 6 THR HA 1 1 8 1434 1 1 6 THR HB H -5.791 -1.808 3.659 1.00 . A A . 6 THR HB 1 1 8 1435 1 1 6 THR HG1 H -5.203 0.195 3.372 1.00 . A A . 6 THR HG1 1 1 8 1436 1 1 6 THR HG21 H -2.909 -2.382 2.957 1.00 . A A . 6 THR HG21 1 1 8 1437 1 1 6 THR HG22 H -4.029 -3.519 3.709 1.00 . A A . 6 THR HG22 1 1 8 1438 1 1 6 THR HG23 H -3.540 -2.060 4.571 1.00 . A A . 6 THR HG23 1 1 8 1439 1 1 6 THR N N -4.250 -2.174 0.659 1.00 . A A . 6 THR N 1 1 8 1440 1 1 6 THR O O -6.630 -1.055 0.056 1.00 . A A . 6 THR O 1 1 8 1441 1 1 6 THR OG1 O -4.605 -0.339 2.845 1.00 . A A . 6 THR OG1 1 1 8 1442 1 1 7 LEU C C -8.806 0.357 1.370 1.00 . A A . 7 LEU C 1 1 8 1443 1 1 7 LEU CA C -8.947 -1.148 1.572 1.00 . A A . 7 LEU CA 1 1 8 1444 1 1 7 LEU CB C -9.985 -1.433 2.659 1.00 . A A . 7 LEU CB 1 1 8 1445 1 1 7 LEU CD1 C -11.939 -2.453 1.465 1.00 . A A . 7 LEU CD1 1 1 8 1446 1 1 7 LEU CD2 C -12.318 -1.024 3.483 1.00 . A A . 7 LEU CD2 1 1 8 1447 1 1 7 LEU CG C -11.448 -1.250 2.254 1.00 . A A . 7 LEU CG 1 1 8 1448 1 1 7 LEU H H -7.585 -2.233 2.775 1.00 . A A . 7 LEU H 1 1 8 1449 1 1 7 LEU HA H -9.275 -1.594 0.646 1.00 . A A . 7 LEU HA 1 1 8 1450 1 1 7 LEU HB2 H -9.857 -2.456 2.978 1.00 . A A . 7 LEU HB2 1 1 8 1451 1 1 7 LEU HB3 H -9.785 -0.771 3.489 1.00 . A A . 7 LEU HB3 1 1 8 1452 1 1 7 LEU HD11 H -11.392 -3.332 1.771 1.00 . A A . 7 LEU HD11 1 1 8 1453 1 1 7 LEU HD12 H -11.784 -2.281 0.411 1.00 . A A . 7 LEU HD12 1 1 8 1454 1 1 7 LEU HD13 H -12.993 -2.602 1.653 1.00 . A A . 7 LEU HD13 1 1 8 1455 1 1 7 LEU HD21 H -12.000 -0.123 3.986 1.00 . A A . 7 LEU HD21 1 1 8 1456 1 1 7 LEU HD22 H -12.218 -1.865 4.153 1.00 . A A . 7 LEU HD22 1 1 8 1457 1 1 7 LEU HD23 H -13.349 -0.923 3.180 1.00 . A A . 7 LEU HD23 1 1 8 1458 1 1 7 LEU HG H -11.532 -0.379 1.619 1.00 . A A . 7 LEU HG 1 1 8 1459 1 1 7 LEU N N -7.665 -1.747 1.929 1.00 . A A . 7 LEU N 1 1 8 1460 1 1 7 LEU O O -9.505 0.950 0.548 1.00 . A A . 7 LEU O 1 1 8 1461 1 1 8 GLN C C -6.555 2.710 1.031 1.00 . A A . 8 GLN C 1 1 8 1462 1 1 8 GLN CA C -7.668 2.405 2.028 1.00 . A A . 8 GLN CA 1 1 8 1463 1 1 8 GLN CB C -7.312 2.981 3.400 1.00 . A A . 8 GLN CB 1 1 8 1464 1 1 8 GLN CD C -9.525 3.806 4.294 1.00 . A A . 8 GLN CD 1 1 8 1465 1 1 8 GLN CG C -8.405 2.796 4.440 1.00 . A A . 8 GLN CG 1 1 8 1466 1 1 8 GLN H H -7.375 0.442 2.763 1.00 . A A . 8 GLN H 1 1 8 1467 1 1 8 GLN HA H -8.580 2.865 1.681 1.00 . A A . 8 GLN HA 1 1 8 1468 1 1 8 GLN HB2 H -6.417 2.495 3.759 1.00 . A A . 8 GLN HB2 1 1 8 1469 1 1 8 GLN HB3 H -7.120 4.038 3.295 1.00 . A A . 8 GLN HB3 1 1 8 1470 1 1 8 GLN HE21 H -9.043 4.627 6.040 1.00 . A A . 8 GLN HE21 1 1 8 1471 1 1 8 GLN HE22 H -10.379 5.348 5.216 1.00 . A A . 8 GLN HE22 1 1 8 1472 1 1 8 GLN HG2 H -8.821 1.804 4.334 1.00 . A A . 8 GLN HG2 1 1 8 1473 1 1 8 GLN HG3 H -7.970 2.899 5.423 1.00 . A A . 8 GLN HG3 1 1 8 1474 1 1 8 GLN N N -7.900 0.969 2.125 1.00 . A A . 8 GLN N 1 1 8 1475 1 1 8 GLN NE2 N -9.664 4.683 5.283 1.00 . A A . 8 GLN NE2 1 1 8 1476 1 1 8 GLN O O -5.980 3.800 1.040 1.00 . A A . 8 GLN O 1 1 8 1477 1 1 8 GLN OE1 O -10.258 3.802 3.305 1.00 . A A . 8 GLN OE1 1 1 8 1478 1 1 9 SER C C -3.935 2.468 -0.197 1.00 . A A . 9 SER C 1 1 8 1479 1 1 9 SER CA C -5.205 1.904 -0.828 1.00 . A A . 9 SER CA 1 1 8 1480 1 1 9 SER CB C -5.683 2.825 -1.951 1.00 . A A . 9 SER CB 1 1 8 1481 1 1 9 SER H H -6.746 0.895 0.216 1.00 . A A . 9 SER H 1 1 8 1482 1 1 9 SER HA H -4.986 0.930 -1.240 1.00 . A A . 9 SER HA 1 1 8 1483 1 1 9 SER HB2 H -4.948 2.836 -2.742 1.00 . A A . 9 SER HB2 1 1 8 1484 1 1 9 SER HB3 H -6.623 2.459 -2.339 1.00 . A A . 9 SER HB3 1 1 8 1485 1 1 9 SER HG H -5.771 4.764 -2.213 1.00 . A A . 9 SER HG 1 1 8 1486 1 1 9 SER N N -6.253 1.740 0.173 1.00 . A A . 9 SER N 1 1 8 1487 1 1 9 SER O O -3.579 3.626 -0.418 1.00 . A A . 9 SER O 1 1 8 1488 1 1 9 SER OG O -5.867 4.150 -1.483 1.00 . A A . 9 SER OG 1 1 8 1489 1 1 10 CYS C C -0.959 2.441 0.232 1.00 . A A . 10 CYS C 1 1 8 1490 1 1 10 CYS CA C -2.025 2.055 1.254 1.00 . A A . 10 CYS CA 1 1 8 1491 1 1 10 CYS CB C -1.503 0.932 2.152 1.00 . A A . 10 CYS CB 1 1 8 1492 1 1 10 CYS H H -3.589 0.729 0.728 1.00 . A A . 10 CYS H 1 1 8 1493 1 1 10 CYS HA H -2.251 2.916 1.863 1.00 . A A . 10 CYS HA 1 1 8 1494 1 1 10 CYS HB2 H -2.307 0.585 2.785 1.00 . A A . 10 CYS HB2 1 1 8 1495 1 1 10 CYS HB3 H -1.161 0.116 1.533 1.00 . A A . 10 CYS HB3 1 1 8 1496 1 1 10 CYS N N -3.255 1.641 0.590 1.00 . A A . 10 CYS N 1 1 8 1497 1 1 10 CYS O O -0.943 1.930 -0.888 1.00 . A A . 10 CYS O 1 1 8 1498 1 1 10 CYS SG S -0.123 1.425 3.233 1.00 . A A . 10 CYS SG 1 1 8 1499 1 1 11 PHE C C 2.247 2.940 -0.086 1.00 . A A . 11 PHE C 1 1 8 1500 1 1 11 PHE CA C 0.999 3.802 -0.253 1.00 . A A . 11 PHE CA 1 1 8 1501 1 1 11 PHE CB C 1.335 5.267 0.034 1.00 . A A . 11 PHE CB 1 1 8 1502 1 1 11 PHE CD1 C -0.834 6.473 -0.332 1.00 . A A . 11 PHE CD1 1 1 8 1503 1 1 11 PHE CD2 C 0.975 6.919 -1.820 1.00 . A A . 11 PHE CD2 1 1 8 1504 1 1 11 PHE CE1 C -1.629 7.366 -1.026 1.00 . A A . 11 PHE CE1 1 1 8 1505 1 1 11 PHE CE2 C 0.186 7.814 -2.517 1.00 . A A . 11 PHE CE2 1 1 8 1506 1 1 11 PHE CG C 0.475 6.239 -0.721 1.00 . A A . 11 PHE CG 1 1 8 1507 1 1 11 PHE CZ C -1.118 8.038 -2.119 1.00 . A A . 11 PHE CZ 1 1 8 1508 1 1 11 PHE H H -0.135 3.717 1.533 1.00 . A A . 11 PHE H 1 1 8 1509 1 1 11 PHE HA H 0.651 3.715 -1.271 1.00 . A A . 11 PHE HA 1 1 8 1510 1 1 11 PHE HB2 H 1.205 5.458 1.088 1.00 . A A . 11 PHE HB2 1 1 8 1511 1 1 11 PHE HB3 H 2.365 5.452 -0.236 1.00 . A A . 11 PHE HB3 1 1 8 1512 1 1 11 PHE HD1 H -1.235 5.949 0.524 1.00 . A A . 11 PHE HD1 1 1 8 1513 1 1 11 PHE HD2 H 1.995 6.744 -2.132 1.00 . A A . 11 PHE HD2 1 1 8 1514 1 1 11 PHE HE1 H -2.647 7.540 -0.712 1.00 . A A . 11 PHE HE1 1 1 8 1515 1 1 11 PHE HE2 H 0.588 8.337 -3.372 1.00 . A A . 11 PHE HE2 1 1 8 1516 1 1 11 PHE HZ H -1.737 8.737 -2.663 1.00 . A A . 11 PHE HZ 1 1 8 1517 1 1 11 PHE N N -0.070 3.347 0.627 1.00 . A A . 11 PHE N 1 1 8 1518 1 1 11 PHE O O 2.466 2.316 0.953 1.00 . A A . 11 PHE O 1 1 8 1519 1 1 12 PRO C C 5.373 2.702 -0.183 1.00 . A A . 12 PRO C 1 1 8 1520 1 1 12 PRO CA C 4.325 2.120 -1.126 1.00 . A A . 12 PRO CA 1 1 8 1521 1 1 12 PRO CB C 4.805 2.206 -2.576 1.00 . A A . 12 PRO CB 1 1 8 1522 1 1 12 PRO CD C 2.887 3.621 -2.402 1.00 . A A . 12 PRO CD 1 1 8 1523 1 1 12 PRO CG C 4.210 3.467 -3.099 1.00 . A A . 12 PRO CG 1 1 8 1524 1 1 12 PRO HA H 4.141 1.088 -0.866 1.00 . A A . 12 PRO HA 1 1 8 1525 1 1 12 PRO HB2 H 5.886 2.237 -2.600 1.00 . A A . 12 PRO HB2 1 1 8 1526 1 1 12 PRO HB3 H 4.454 1.345 -3.127 1.00 . A A . 12 PRO HB3 1 1 8 1527 1 1 12 PRO HD2 H 2.673 4.664 -2.225 1.00 . A A . 12 PRO HD2 1 1 8 1528 1 1 12 PRO HD3 H 2.099 3.165 -2.983 1.00 . A A . 12 PRO HD3 1 1 8 1529 1 1 12 PRO HG2 H 4.856 4.300 -2.867 1.00 . A A . 12 PRO HG2 1 1 8 1530 1 1 12 PRO HG3 H 4.064 3.389 -4.167 1.00 . A A . 12 PRO HG3 1 1 8 1531 1 1 12 PRO N N 3.085 2.902 -1.132 1.00 . A A . 12 PRO N 1 1 8 1532 1 1 12 PRO O O 5.503 3.920 -0.061 1.00 . A A . 12 PRO O 1 1 8 1533 1 1 13 ASP C C 8.360 1.319 1.347 1.00 . A A . 13 ASP C 1 1 8 1534 1 1 13 ASP CA C 7.155 2.251 1.412 1.00 . A A . 13 ASP CA 1 1 8 1535 1 1 13 ASP CB C 6.604 2.294 2.839 1.00 . A A . 13 ASP CB 1 1 8 1536 1 1 13 ASP CG C 5.842 3.573 3.128 1.00 . A A . 13 ASP CG 1 1 8 1537 1 1 13 ASP H H 5.964 0.866 0.341 1.00 . A A . 13 ASP H 1 1 8 1538 1 1 13 ASP HA H 7.468 3.245 1.127 1.00 . A A . 13 ASP HA 1 1 8 1539 1 1 13 ASP HB2 H 5.935 1.458 2.985 1.00 . A A . 13 ASP HB2 1 1 8 1540 1 1 13 ASP HB3 H 7.424 2.219 3.537 1.00 . A A . 13 ASP HB3 1 1 8 1541 1 1 13 ASP N N 6.117 1.825 0.481 1.00 . A A . 13 ASP N 1 1 8 1542 1 1 13 ASP O O 8.821 0.812 2.370 1.00 . A A . 13 ASP O 1 1 8 1543 1 1 13 ASP OD1 O 6.155 4.604 2.499 1.00 . A A . 13 ASP OD1 1 1 8 1544 1 1 13 ASP OD2 O 4.932 3.541 3.984 1.00 . A A . 13 ASP OD2 1 1 9 1545 1 1 1 GLY C C 9.097 -0.850 -0.661 1.00 . A A . 1 GLY C 1 1 9 1546 1 1 1 GLY CA C 9.847 0.341 -0.099 1.00 . A A . 1 GLY CA 1 1 9 1547 1 1 1 GLY H1 H 9.034 2.276 0.187 1.00 . A A . 1 GLY H1 1 1 9 1548 1 1 1 GLY HA2 H 10.424 0.797 -0.889 1.00 . A A . 1 GLY HA2 1 1 9 1549 1 1 1 GLY HA3 H 10.521 -0.004 0.673 1.00 . A A . 1 GLY HA3 1 1 9 1550 1 1 1 GLY N N 8.960 1.340 0.469 1.00 . A A . 1 GLY N 1 1 9 1551 1 1 1 GLY O O 9.073 -1.060 -1.874 1.00 . A A . 1 GLY O 1 1 9 1552 1 1 2 ARG C C 6.265 -2.458 -0.442 1.00 . A A . 2 ARG C 1 1 9 1553 1 1 2 ARG CA C 7.730 -2.808 -0.193 1.00 . A A . 2 ARG CA 1 1 9 1554 1 1 2 ARG CB C 7.830 -3.905 0.869 1.00 . A A . 2 ARG CB 1 1 9 1555 1 1 2 ARG CD C 9.454 -3.320 2.695 1.00 . A A . 2 ARG CD 1 1 9 1556 1 1 2 ARG CG C 9.237 -4.101 1.410 1.00 . A A . 2 ARG CG 1 1 9 1557 1 1 2 ARG CZ C 10.947 -3.401 4.648 1.00 . A A . 2 ARG CZ 1 1 9 1558 1 1 2 ARG H H 8.537 -1.410 1.175 1.00 . A A . 2 ARG H 1 1 9 1559 1 1 2 ARG HA H 8.163 -3.170 -1.114 1.00 . A A . 2 ARG HA 1 1 9 1560 1 1 2 ARG HB2 H 7.183 -3.649 1.695 1.00 . A A . 2 ARG HB2 1 1 9 1561 1 1 2 ARG HB3 H 7.500 -4.837 0.438 1.00 . A A . 2 ARG HB3 1 1 9 1562 1 1 2 ARG HD2 H 9.840 -2.342 2.447 1.00 . A A . 2 ARG HD2 1 1 9 1563 1 1 2 ARG HD3 H 8.505 -3.213 3.201 1.00 . A A . 2 ARG HD3 1 1 9 1564 1 1 2 ARG HE H 10.627 -4.919 3.392 1.00 . A A . 2 ARG HE 1 1 9 1565 1 1 2 ARG HG2 H 9.391 -5.151 1.610 1.00 . A A . 2 ARG HG2 1 1 9 1566 1 1 2 ARG HG3 H 9.947 -3.765 0.669 1.00 . A A . 2 ARG HG3 1 1 9 1567 1 1 2 ARG HH11 H 10.012 -1.633 4.366 1.00 . A A . 2 ARG HH11 1 1 9 1568 1 1 2 ARG HH12 H 11.067 -1.703 5.738 1.00 . A A . 2 ARG HH12 1 1 9 1569 1 1 2 ARG HH21 H 12.020 -5.024 5.195 1.00 . A A . 2 ARG HH21 1 1 9 1570 1 1 2 ARG HH22 H 12.209 -3.633 6.208 1.00 . A A . 2 ARG HH22 1 1 9 1571 1 1 2 ARG N N 8.483 -1.631 0.222 1.00 . A A . 2 ARG N 1 1 9 1572 1 1 2 ARG NE N 10.395 -3.987 3.590 1.00 . A A . 2 ARG NE 1 1 9 1573 1 1 2 ARG NH1 N 10.651 -2.143 4.941 1.00 . A A . 2 ARG NH1 1 1 9 1574 1 1 2 ARG NH2 N 11.795 -4.075 5.414 1.00 . A A . 2 ARG NH2 1 1 9 1575 1 1 2 ARG O O 5.723 -1.513 0.130 1.00 . A A . 2 ARG O 1 1 9 1576 1 1 3 PRO C C 3.266 -3.370 -0.505 1.00 . A A . 3 PRO C 1 1 9 1577 1 1 3 PRO CA C 4.201 -3.028 -1.660 1.00 . A A . 3 PRO CA 1 1 9 1578 1 1 3 PRO CB C 3.977 -3.988 -2.832 1.00 . A A . 3 PRO CB 1 1 9 1579 1 1 3 PRO CD C 6.196 -4.381 -2.035 1.00 . A A . 3 PRO CD 1 1 9 1580 1 1 3 PRO CG C 5.000 -5.055 -2.649 1.00 . A A . 3 PRO CG 1 1 9 1581 1 1 3 PRO HA H 4.017 -2.013 -1.983 1.00 . A A . 3 PRO HA 1 1 9 1582 1 1 3 PRO HB2 H 2.974 -4.389 -2.785 1.00 . A A . 3 PRO HB2 1 1 9 1583 1 1 3 PRO HB3 H 4.117 -3.462 -3.764 1.00 . A A . 3 PRO HB3 1 1 9 1584 1 1 3 PRO HD2 H 6.697 -5.051 -1.351 1.00 . A A . 3 PRO HD2 1 1 9 1585 1 1 3 PRO HD3 H 6.876 -4.045 -2.803 1.00 . A A . 3 PRO HD3 1 1 9 1586 1 1 3 PRO HG2 H 4.620 -5.819 -1.988 1.00 . A A . 3 PRO HG2 1 1 9 1587 1 1 3 PRO HG3 H 5.260 -5.480 -3.606 1.00 . A A . 3 PRO HG3 1 1 9 1588 1 1 3 PRO N N 5.611 -3.237 -1.315 1.00 . A A . 3 PRO N 1 1 9 1589 1 1 3 PRO O O 3.503 -4.321 0.239 1.00 . A A . 3 PRO O 1 1 9 1590 1 1 4 CYS C C -0.158 -3.068 0.127 1.00 . A A . 4 CYS C 1 1 9 1591 1 1 4 CYS CA C 1.229 -2.806 0.704 1.00 . A A . 4 CYS CA 1 1 9 1592 1 1 4 CYS CB C 1.185 -1.595 1.639 1.00 . A A . 4 CYS CB 1 1 9 1593 1 1 4 CYS H H 2.066 -1.843 -0.985 1.00 . A A . 4 CYS H 1 1 9 1594 1 1 4 CYS HA H 1.542 -3.672 1.266 1.00 . A A . 4 CYS HA 1 1 9 1595 1 1 4 CYS HB2 H 0.456 -1.777 2.416 1.00 . A A . 4 CYS HB2 1 1 9 1596 1 1 4 CYS HB3 H 2.158 -1.462 2.089 1.00 . A A . 4 CYS HB3 1 1 9 1597 1 1 4 CYS N N 2.202 -2.587 -0.360 1.00 . A A . 4 CYS N 1 1 9 1598 1 1 4 CYS O O -0.487 -2.604 -0.965 1.00 . A A . 4 CYS O 1 1 9 1599 1 1 4 CYS SG S 0.736 -0.035 0.814 1.00 . A A . 4 CYS SG 1 1 9 1600 1 1 5 TYR C C -3.356 -3.621 1.424 1.00 . A A . 5 TYR C 1 1 9 1601 1 1 5 TYR CA C -2.321 -4.141 0.431 1.00 . A A . 5 TYR CA 1 1 9 1602 1 1 5 TYR CB C -2.474 -5.653 0.263 1.00 . A A . 5 TYR CB 1 1 9 1603 1 1 5 TYR CD1 C -1.025 -5.904 -1.788 1.00 . A A . 5 TYR CD1 1 1 9 1604 1 1 5 TYR CD2 C -0.567 -7.299 0.089 1.00 . A A . 5 TYR CD2 1 1 9 1605 1 1 5 TYR CE1 C 0.016 -6.490 -2.484 1.00 . A A . 5 TYR CE1 1 1 9 1606 1 1 5 TYR CE2 C 0.476 -7.890 -0.598 1.00 . A A . 5 TYR CE2 1 1 9 1607 1 1 5 TYR CG C -1.335 -6.298 -0.493 1.00 . A A . 5 TYR CG 1 1 9 1608 1 1 5 TYR CZ C 0.764 -7.482 -1.884 1.00 . A A . 5 TYR CZ 1 1 9 1609 1 1 5 TYR H H -0.651 -4.156 1.731 1.00 . A A . 5 TYR H 1 1 9 1610 1 1 5 TYR HA H -2.485 -3.664 -0.524 1.00 . A A . 5 TYR HA 1 1 9 1611 1 1 5 TYR HB2 H -2.526 -6.114 1.238 1.00 . A A . 5 TYR HB2 1 1 9 1612 1 1 5 TYR HB3 H -3.388 -5.859 -0.274 1.00 . A A . 5 TYR HB3 1 1 9 1613 1 1 5 TYR HD1 H -1.611 -5.126 -2.255 1.00 . A A . 5 TYR HD1 1 1 9 1614 1 1 5 TYR HD2 H -0.794 -7.616 1.096 1.00 . A A . 5 TYR HD2 1 1 9 1615 1 1 5 TYR HE1 H 0.241 -6.171 -3.491 1.00 . A A . 5 TYR HE1 1 1 9 1616 1 1 5 TYR HE2 H 1.061 -8.667 -0.129 1.00 . A A . 5 TYR HE2 1 1 9 1617 1 1 5 TYR HH H 2.086 -8.859 -2.109 1.00 . A A . 5 TYR HH 1 1 9 1618 1 1 5 TYR N N -0.969 -3.814 0.869 1.00 . A A . 5 TYR N 1 1 9 1619 1 1 5 TYR O O -3.472 -4.126 2.541 1.00 . A A . 5 TYR O 1 1 9 1620 1 1 5 TYR OH O 1.801 -8.067 -2.573 1.00 . A A . 5 TYR OH 1 1 9 1621 1 1 6 THR C C -6.358 -1.612 1.046 1.00 . A A . 6 THR C 1 1 9 1622 1 1 6 THR CA C -5.133 -2.016 1.859 1.00 . A A . 6 THR CA 1 1 9 1623 1 1 6 THR CB C -4.598 -0.781 2.609 1.00 . A A . 6 THR CB 1 1 9 1624 1 1 6 THR CG2 C -3.270 -1.090 3.282 1.00 . A A . 6 THR CG2 1 1 9 1625 1 1 6 THR H H -3.968 -2.247 0.108 1.00 . A A . 6 THR H 1 1 9 1626 1 1 6 THR HA H -5.426 -2.755 2.591 1.00 . A A . 6 THR HA 1 1 9 1627 1 1 6 THR HB H -5.315 -0.502 3.369 1.00 . A A . 6 THR HB 1 1 9 1628 1 1 6 THR HG1 H -4.521 1.141 2.174 1.00 . A A . 6 THR HG1 1 1 9 1629 1 1 6 THR HG21 H -2.496 -1.170 2.533 1.00 . A A . 6 THR HG21 1 1 9 1630 1 1 6 THR HG22 H -3.348 -2.022 3.821 1.00 . A A . 6 THR HG22 1 1 9 1631 1 1 6 THR HG23 H -3.023 -0.296 3.971 1.00 . A A . 6 THR HG23 1 1 9 1632 1 1 6 THR N N -4.108 -2.606 1.008 1.00 . A A . 6 THR N 1 1 9 1633 1 1 6 THR O O -6.267 -1.385 -0.161 1.00 . A A . 6 THR O 1 1 9 1634 1 1 6 THR OG1 O -4.433 0.311 1.698 1.00 . A A . 6 THR OG1 1 1 9 1635 1 1 7 LEU C C -8.883 0.373 0.978 1.00 . A A . 7 LEU C 1 1 9 1636 1 1 7 LEU CA C -8.747 -1.144 1.052 1.00 . A A . 7 LEU CA 1 1 9 1637 1 1 7 LEU CB C -9.943 -1.741 1.795 1.00 . A A . 7 LEU CB 1 1 9 1638 1 1 7 LEU CD1 C -11.265 -3.777 2.417 1.00 . A A . 7 LEU CD1 1 1 9 1639 1 1 7 LEU CD2 C -11.076 -3.098 0.017 1.00 . A A . 7 LEU CD2 1 1 9 1640 1 1 7 LEU CG C -10.368 -3.144 1.365 1.00 . A A . 7 LEU CG 1 1 9 1641 1 1 7 LEU H H -7.513 -1.715 2.674 1.00 . A A . 7 LEU H 1 1 9 1642 1 1 7 LEU HA H -8.722 -1.541 0.049 1.00 . A A . 7 LEU HA 1 1 9 1643 1 1 7 LEU HB2 H -9.696 -1.777 2.845 1.00 . A A . 7 LEU HB2 1 1 9 1644 1 1 7 LEU HB3 H -10.786 -1.079 1.648 1.00 . A A . 7 LEU HB3 1 1 9 1645 1 1 7 LEU HD11 H -10.999 -3.397 3.392 1.00 . A A . 7 LEU HD11 1 1 9 1646 1 1 7 LEU HD12 H -11.138 -4.850 2.401 1.00 . A A . 7 LEU HD12 1 1 9 1647 1 1 7 LEU HD13 H -12.296 -3.535 2.205 1.00 . A A . 7 LEU HD13 1 1 9 1648 1 1 7 LEU HD21 H -11.679 -2.205 -0.042 1.00 . A A . 7 LEU HD21 1 1 9 1649 1 1 7 LEU HD22 H -11.709 -3.967 -0.087 1.00 . A A . 7 LEU HD22 1 1 9 1650 1 1 7 LEU HD23 H -10.341 -3.090 -0.774 1.00 . A A . 7 LEU HD23 1 1 9 1651 1 1 7 LEU HG H -9.489 -3.765 1.261 1.00 . A A . 7 LEU HG 1 1 9 1652 1 1 7 LEU N N -7.502 -1.523 1.714 1.00 . A A . 7 LEU N 1 1 9 1653 1 1 7 LEU O O -9.567 0.901 0.100 1.00 . A A . 7 LEU O 1 1 9 1654 1 1 8 GLN C C -7.150 3.128 1.110 1.00 . A A . 8 GLN C 1 1 9 1655 1 1 8 GLN CA C -8.278 2.525 1.940 1.00 . A A . 8 GLN CA 1 1 9 1656 1 1 8 GLN CB C -8.189 3.023 3.384 1.00 . A A . 8 GLN CB 1 1 9 1657 1 1 8 GLN CD C -9.944 1.774 4.705 1.00 . A A . 8 GLN CD 1 1 9 1658 1 1 8 GLN CG C -9.535 3.097 4.086 1.00 . A A . 8 GLN CG 1 1 9 1659 1 1 8 GLN H H -7.702 0.590 2.576 1.00 . A A . 8 GLN H 1 1 9 1660 1 1 8 GLN HA H -9.223 2.835 1.521 1.00 . A A . 8 GLN HA 1 1 9 1661 1 1 8 GLN HB2 H -7.551 2.355 3.943 1.00 . A A . 8 GLN HB2 1 1 9 1662 1 1 8 GLN HB3 H -7.751 4.010 3.385 1.00 . A A . 8 GLN HB3 1 1 9 1663 1 1 8 GLN HE21 H -11.453 1.613 3.420 1.00 . A A . 8 GLN HE21 1 1 9 1664 1 1 8 GLN HE22 H -11.290 0.318 4.552 1.00 . A A . 8 GLN HE22 1 1 9 1665 1 1 8 GLN HG2 H -9.478 3.839 4.869 1.00 . A A . 8 GLN HG2 1 1 9 1666 1 1 8 GLN HG3 H -10.285 3.389 3.368 1.00 . A A . 8 GLN HG3 1 1 9 1667 1 1 8 GLN N N -8.230 1.068 1.903 1.00 . A A . 8 GLN N 1 1 9 1668 1 1 8 GLN NE2 N -11.003 1.175 4.173 1.00 . A A . 8 GLN NE2 1 1 9 1669 1 1 8 GLN O O -6.811 4.302 1.267 1.00 . A A . 8 GLN O 1 1 9 1670 1 1 8 GLN OE1 O -9.316 1.296 5.650 1.00 . A A . 8 GLN OE1 1 1 9 1671 1 1 9 SER C C -4.258 3.146 0.213 1.00 . A A . 9 SER C 1 1 9 1672 1 1 9 SER CA C -5.478 2.772 -0.622 1.00 . A A . 9 SER CA 1 1 9 1673 1 1 9 SER CB C -5.922 3.971 -1.463 1.00 . A A . 9 SER CB 1 1 9 1674 1 1 9 SER H H -6.886 1.394 0.151 1.00 . A A . 9 SER H 1 1 9 1675 1 1 9 SER HA H -5.213 1.959 -1.282 1.00 . A A . 9 SER HA 1 1 9 1676 1 1 9 SER HB2 H -5.714 4.883 -0.923 1.00 . A A . 9 SER HB2 1 1 9 1677 1 1 9 SER HB3 H -5.377 3.974 -2.396 1.00 . A A . 9 SER HB3 1 1 9 1678 1 1 9 SER HG H -7.723 4.741 -1.493 1.00 . A A . 9 SER HG 1 1 9 1679 1 1 9 SER N N -6.572 2.319 0.229 1.00 . A A . 9 SER N 1 1 9 1680 1 1 9 SER O O -4.230 4.195 0.857 1.00 . A A . 9 SER O 1 1 9 1681 1 1 9 SER OG O -7.309 3.912 -1.743 1.00 . A A . 9 SER OG 1 1 9 1682 1 1 10 CYS C C -0.847 2.761 0.017 1.00 . A A . 10 CYS C 1 1 9 1683 1 1 10 CYS CA C -2.027 2.517 0.955 1.00 . A A . 10 CYS CA 1 1 9 1684 1 1 10 CYS CB C -1.728 1.326 1.868 1.00 . A A . 10 CYS CB 1 1 9 1685 1 1 10 CYS H H -3.332 1.460 -0.334 1.00 . A A . 10 CYS H 1 1 9 1686 1 1 10 CYS HA H -2.176 3.396 1.561 1.00 . A A . 10 CYS HA 1 1 9 1687 1 1 10 CYS HB2 H -2.337 1.403 2.757 1.00 . A A . 10 CYS HB2 1 1 9 1688 1 1 10 CYS HB3 H -1.975 0.412 1.348 1.00 . A A . 10 CYS HB3 1 1 9 1689 1 1 10 CYS N N -3.250 2.279 0.199 1.00 . A A . 10 CYS N 1 1 9 1690 1 1 10 CYS O O -0.719 2.110 -1.020 1.00 . A A . 10 CYS O 1 1 9 1691 1 1 10 CYS SG S 0.011 1.212 2.397 1.00 . A A . 10 CYS SG 1 1 9 1692 1 1 11 PHE C C 2.339 3.087 -0.110 1.00 . A A . 11 PHE C 1 1 9 1693 1 1 11 PHE CA C 1.181 4.034 -0.416 1.00 . A A . 11 PHE CA 1 1 9 1694 1 1 11 PHE CB C 1.611 5.481 -0.161 1.00 . A A . 11 PHE CB 1 1 9 1695 1 1 11 PHE CD1 C 0.494 6.629 -2.092 1.00 . A A . 11 PHE CD1 1 1 9 1696 1 1 11 PHE CD2 C -0.076 7.317 0.118 1.00 . A A . 11 PHE CD2 1 1 9 1697 1 1 11 PHE CE1 C -0.383 7.563 -2.614 1.00 . A A . 11 PHE CE1 1 1 9 1698 1 1 11 PHE CE2 C -0.955 8.252 -0.396 1.00 . A A . 11 PHE CE2 1 1 9 1699 1 1 11 PHE CG C 0.657 6.496 -0.723 1.00 . A A . 11 PHE CG 1 1 9 1700 1 1 11 PHE CZ C -1.107 8.375 -1.764 1.00 . A A . 11 PHE CZ 1 1 9 1701 1 1 11 PHE H H -0.143 4.186 1.229 1.00 . A A . 11 PHE H 1 1 9 1702 1 1 11 PHE HA H 0.908 3.926 -1.453 1.00 . A A . 11 PHE HA 1 1 9 1703 1 1 11 PHE HB2 H 1.680 5.646 0.904 1.00 . A A . 11 PHE HB2 1 1 9 1704 1 1 11 PHE HB3 H 2.577 5.647 -0.610 1.00 . A A . 11 PHE HB3 1 1 9 1705 1 1 11 PHE HD1 H 1.061 5.993 -2.758 1.00 . A A . 11 PHE HD1 1 1 9 1706 1 1 11 PHE HD2 H 0.042 7.223 1.188 1.00 . A A . 11 PHE HD2 1 1 9 1707 1 1 11 PHE HE1 H -0.499 7.656 -3.683 1.00 . A A . 11 PHE HE1 1 1 9 1708 1 1 11 PHE HE2 H -1.521 8.887 0.269 1.00 . A A . 11 PHE HE2 1 1 9 1709 1 1 11 PHE HZ H -1.794 9.105 -2.169 1.00 . A A . 11 PHE HZ 1 1 9 1710 1 1 11 PHE N N 0.013 3.703 0.391 1.00 . A A . 11 PHE N 1 1 9 1711 1 1 11 PHE O O 2.430 2.505 0.971 1.00 . A A . 11 PHE O 1 1 9 1712 1 1 12 PRO C C 5.433 2.603 0.047 1.00 . A A . 12 PRO C 1 1 9 1713 1 1 12 PRO CA C 4.415 2.055 -0.946 1.00 . A A . 12 PRO CA 1 1 9 1714 1 1 12 PRO CB C 5.006 2.024 -2.358 1.00 . A A . 12 PRO CB 1 1 9 1715 1 1 12 PRO CD C 3.201 3.591 -2.400 1.00 . A A . 12 PRO CD 1 1 9 1716 1 1 12 PRO CG C 4.555 3.298 -2.984 1.00 . A A . 12 PRO CG 1 1 9 1717 1 1 12 PRO HA H 4.129 1.055 -0.651 1.00 . A A . 12 PRO HA 1 1 9 1718 1 1 12 PRO HB2 H 6.084 1.971 -2.297 1.00 . A A . 12 PRO HB2 1 1 9 1719 1 1 12 PRO HB3 H 4.626 1.166 -2.892 1.00 . A A . 12 PRO HB3 1 1 9 1720 1 1 12 PRO HD2 H 3.060 4.656 -2.290 1.00 . A A . 12 PRO HD2 1 1 9 1721 1 1 12 PRO HD3 H 2.423 3.168 -3.018 1.00 . A A . 12 PRO HD3 1 1 9 1722 1 1 12 PRO HG2 H 5.247 4.091 -2.744 1.00 . A A . 12 PRO HG2 1 1 9 1723 1 1 12 PRO HG3 H 4.482 3.174 -4.055 1.00 . A A . 12 PRO HG3 1 1 9 1724 1 1 12 PRO N N 3.246 2.929 -1.086 1.00 . A A . 12 PRO N 1 1 9 1725 1 1 12 PRO O O 5.650 3.813 0.125 1.00 . A A . 12 PRO O 1 1 9 1726 1 1 13 ASP C C 8.328 1.272 1.639 1.00 . A A . 13 ASP C 1 1 9 1727 1 1 13 ASP CA C 7.056 2.102 1.790 1.00 . A A . 13 ASP CA 1 1 9 1728 1 1 13 ASP CB C 6.496 1.945 3.205 1.00 . A A . 13 ASP CB 1 1 9 1729 1 1 13 ASP CG C 5.624 0.713 3.349 1.00 . A A . 13 ASP CG 1 1 9 1730 1 1 13 ASP H H 5.842 0.757 0.694 1.00 . A A . 13 ASP H 1 1 9 1731 1 1 13 ASP HA H 7.296 3.141 1.621 1.00 . A A . 13 ASP HA 1 1 9 1732 1 1 13 ASP HB2 H 7.316 1.866 3.903 1.00 . A A . 13 ASP HB2 1 1 9 1733 1 1 13 ASP HB3 H 5.903 2.814 3.449 1.00 . A A . 13 ASP HB3 1 1 9 1734 1 1 13 ASP N N 6.057 1.707 0.803 1.00 . A A . 13 ASP N 1 1 9 1735 1 1 13 ASP O O 8.660 0.464 2.506 1.00 . A A . 13 ASP O 1 1 9 1736 1 1 13 ASP OD1 O 6.009 -0.351 2.822 1.00 . A A . 13 ASP OD1 1 1 9 1737 1 1 13 ASP OD2 O 4.555 0.813 3.988 1.00 . A A . 13 ASP OD2 1 1 10 1738 1 1 1 GLY C C 8.848 -1.184 -0.611 1.00 . A A . 1 GLY C 1 1 10 1739 1 1 1 GLY CA C 9.680 0.065 -0.398 1.00 . A A . 1 GLY CA 1 1 10 1740 1 1 1 GLY H1 H 9.037 2.070 -0.178 1.00 . A A . 1 GLY H1 1 1 10 1741 1 1 1 GLY HA2 H 10.093 0.376 -1.346 1.00 . A A . 1 GLY HA2 1 1 10 1742 1 1 1 GLY HA3 H 10.490 -0.167 0.279 1.00 . A A . 1 GLY HA3 1 1 10 1743 1 1 1 GLY N N 8.905 1.159 0.158 1.00 . A A . 1 GLY N 1 1 10 1744 1 1 1 GLY O O 8.700 -1.654 -1.739 1.00 . A A . 1 GLY O 1 1 10 1745 1 1 2 ARG C C 6.109 -2.616 -0.172 1.00 . A A . 2 ARG C 1 1 10 1746 1 1 2 ARG CA C 7.487 -2.929 0.402 1.00 . A A . 2 ARG CA 1 1 10 1747 1 1 2 ARG CB C 7.343 -3.558 1.789 1.00 . A A . 2 ARG CB 1 1 10 1748 1 1 2 ARG CD C 8.152 -5.322 3.387 1.00 . A A . 2 ARG CD 1 1 10 1749 1 1 2 ARG CG C 8.485 -4.493 2.157 1.00 . A A . 2 ARG CG 1 1 10 1750 1 1 2 ARG CZ C 8.587 -5.183 5.803 1.00 . A A . 2 ARG CZ 1 1 10 1751 1 1 2 ARG H H 8.461 -1.304 1.348 1.00 . A A . 2 ARG H 1 1 10 1752 1 1 2 ARG HA H 7.986 -3.630 -0.251 1.00 . A A . 2 ARG HA 1 1 10 1753 1 1 2 ARG HB2 H 7.302 -2.770 2.527 1.00 . A A . 2 ARG HB2 1 1 10 1754 1 1 2 ARG HB3 H 6.422 -4.120 1.822 1.00 . A A . 2 ARG HB3 1 1 10 1755 1 1 2 ARG HD2 H 7.106 -5.589 3.353 1.00 . A A . 2 ARG HD2 1 1 10 1756 1 1 2 ARG HD3 H 8.753 -6.219 3.373 1.00 . A A . 2 ARG HD3 1 1 10 1757 1 1 2 ARG HE H 8.466 -3.616 4.575 1.00 . A A . 2 ARG HE 1 1 10 1758 1 1 2 ARG HG2 H 8.672 -5.159 1.328 1.00 . A A . 2 ARG HG2 1 1 10 1759 1 1 2 ARG HG3 H 9.368 -3.905 2.357 1.00 . A A . 2 ARG HG3 1 1 10 1760 1 1 2 ARG HH11 H 8.347 -7.057 5.088 1.00 . A A . 2 ARG HH11 1 1 10 1761 1 1 2 ARG HH12 H 8.654 -6.945 6.790 1.00 . A A . 2 ARG HH12 1 1 10 1762 1 1 2 ARG HH21 H 8.871 -3.456 6.814 1.00 . A A . 2 ARG HH21 1 1 10 1763 1 1 2 ARG HH22 H 8.951 -4.896 7.770 1.00 . A A . 2 ARG HH22 1 1 10 1764 1 1 2 ARG N N 8.306 -1.725 0.475 1.00 . A A . 2 ARG N 1 1 10 1765 1 1 2 ARG NE N 8.415 -4.593 4.625 1.00 . A A . 2 ARG NE 1 1 10 1766 1 1 2 ARG NH1 N 8.523 -6.504 5.902 1.00 . A A . 2 ARG NH1 1 1 10 1767 1 1 2 ARG NH2 N 8.823 -4.451 6.884 1.00 . A A . 2 ARG NH2 1 1 10 1768 1 1 2 ARG O O 5.653 -1.473 -0.167 1.00 . A A . 2 ARG O 1 1 10 1769 1 1 3 PRO C C 3.030 -3.204 -0.220 1.00 . A A . 3 PRO C 1 1 10 1770 1 1 3 PRO CA C 4.093 -3.515 -1.267 1.00 . A A . 3 PRO CA 1 1 10 1771 1 1 3 PRO CB C 3.839 -4.886 -1.898 1.00 . A A . 3 PRO CB 1 1 10 1772 1 1 3 PRO CD C 5.912 -5.045 -0.719 1.00 . A A . 3 PRO CD 1 1 10 1773 1 1 3 PRO CG C 4.690 -5.827 -1.118 1.00 . A A . 3 PRO CG 1 1 10 1774 1 1 3 PRO HA H 4.075 -2.755 -2.034 1.00 . A A . 3 PRO HA 1 1 10 1775 1 1 3 PRO HB2 H 2.791 -5.136 -1.811 1.00 . A A . 3 PRO HB2 1 1 10 1776 1 1 3 PRO HB3 H 4.124 -4.866 -2.939 1.00 . A A . 3 PRO HB3 1 1 10 1777 1 1 3 PRO HD2 H 6.260 -5.360 0.253 1.00 . A A . 3 PRO HD2 1 1 10 1778 1 1 3 PRO HD3 H 6.692 -5.161 -1.458 1.00 . A A . 3 PRO HD3 1 1 10 1779 1 1 3 PRO HG2 H 4.158 -6.164 -0.241 1.00 . A A . 3 PRO HG2 1 1 10 1780 1 1 3 PRO HG3 H 4.970 -6.667 -1.736 1.00 . A A . 3 PRO HG3 1 1 10 1781 1 1 3 PRO N N 5.429 -3.654 -0.679 1.00 . A A . 3 PRO N 1 1 10 1782 1 1 3 PRO O O 2.852 -3.954 0.741 1.00 . A A . 3 PRO O 1 1 10 1783 1 1 4 CYS C C -0.098 -1.772 -0.143 1.00 . A A . 4 CYS C 1 1 10 1784 1 1 4 CYS CA C 1.275 -1.685 0.515 1.00 . A A . 4 CYS CA 1 1 10 1785 1 1 4 CYS CB C 1.530 -0.258 1.005 1.00 . A A . 4 CYS CB 1 1 10 1786 1 1 4 CYS H H 2.510 -1.539 -1.198 1.00 . A A . 4 CYS H 1 1 10 1787 1 1 4 CYS HA H 1.299 -2.356 1.360 1.00 . A A . 4 CYS HA 1 1 10 1788 1 1 4 CYS HB2 H 2.595 -0.092 1.067 1.00 . A A . 4 CYS HB2 1 1 10 1789 1 1 4 CYS HB3 H 1.103 0.438 0.298 1.00 . A A . 4 CYS HB3 1 1 10 1790 1 1 4 CYS N N 2.322 -2.095 -0.412 1.00 . A A . 4 CYS N 1 1 10 1791 1 1 4 CYS O O -0.513 -0.862 -0.863 1.00 . A A . 4 CYS O 1 1 10 1792 1 1 4 CYS SG S 0.815 0.105 2.641 1.00 . A A . 4 CYS SG 1 1 10 1793 1 1 5 TYR C C -3.173 -3.234 0.638 1.00 . A A . 5 TYR C 1 1 10 1794 1 1 5 TYR CA C -2.126 -3.079 -0.461 1.00 . A A . 5 TYR CA 1 1 10 1795 1 1 5 TYR CB C -2.130 -4.314 -1.363 1.00 . A A . 5 TYR CB 1 1 10 1796 1 1 5 TYR CD1 C -1.585 -3.477 -3.681 1.00 . A A . 5 TYR CD1 1 1 10 1797 1 1 5 TYR CD2 C 0.041 -4.805 -2.554 1.00 . A A . 5 TYR CD2 1 1 10 1798 1 1 5 TYR CE1 C -0.745 -3.368 -4.773 1.00 . A A . 5 TYR CE1 1 1 10 1799 1 1 5 TYR CE2 C 0.888 -4.700 -3.640 1.00 . A A . 5 TYR CE2 1 1 10 1800 1 1 5 TYR CG C -1.208 -4.197 -2.554 1.00 . A A . 5 TYR CG 1 1 10 1801 1 1 5 TYR CZ C 0.490 -3.981 -4.748 1.00 . A A . 5 TYR CZ 1 1 10 1802 1 1 5 TYR H H -0.417 -3.561 0.689 1.00 . A A . 5 TYR H 1 1 10 1803 1 1 5 TYR HA H -2.371 -2.210 -1.056 1.00 . A A . 5 TYR HA 1 1 10 1804 1 1 5 TYR HB2 H -1.819 -5.172 -0.787 1.00 . A A . 5 TYR HB2 1 1 10 1805 1 1 5 TYR HB3 H -3.132 -4.478 -1.732 1.00 . A A . 5 TYR HB3 1 1 10 1806 1 1 5 TYR HD1 H -2.553 -2.997 -3.698 1.00 . A A . 5 TYR HD1 1 1 10 1807 1 1 5 TYR HD2 H 0.351 -5.368 -1.685 1.00 . A A . 5 TYR HD2 1 1 10 1808 1 1 5 TYR HE1 H -1.057 -2.804 -5.641 1.00 . A A . 5 TYR HE1 1 1 10 1809 1 1 5 TYR HE2 H 1.855 -5.180 -3.621 1.00 . A A . 5 TYR HE2 1 1 10 1810 1 1 5 TYR HH H 1.447 -2.947 -6.055 1.00 . A A . 5 TYR HH 1 1 10 1811 1 1 5 TYR N N -0.800 -2.872 0.109 1.00 . A A . 5 TYR N 1 1 10 1812 1 1 5 TYR O O -3.225 -4.255 1.324 1.00 . A A . 5 TYR O 1 1 10 1813 1 1 5 TYR OH O 1.329 -3.873 -5.833 1.00 . A A . 5 TYR OH 1 1 10 1814 1 1 6 THR C C -6.378 -1.734 1.250 1.00 . A A . 6 THR C 1 1 10 1815 1 1 6 THR CA C -5.054 -2.233 1.816 1.00 . A A . 6 THR CA 1 1 10 1816 1 1 6 THR CB C -4.671 -1.373 3.034 1.00 . A A . 6 THR CB 1 1 10 1817 1 1 6 THR CG2 C -3.496 -1.985 3.781 1.00 . A A . 6 THR CG2 1 1 10 1818 1 1 6 THR H H -3.917 -1.426 0.223 1.00 . A A . 6 THR H 1 1 10 1819 1 1 6 THR HA H -5.176 -3.254 2.146 1.00 . A A . 6 THR HA 1 1 10 1820 1 1 6 THR HB H -5.518 -1.325 3.702 1.00 . A A . 6 THR HB 1 1 10 1821 1 1 6 THR HG1 H -5.125 0.401 2.300 1.00 . A A . 6 THR HG1 1 1 10 1822 1 1 6 THR HG21 H -3.092 -1.261 4.474 1.00 . A A . 6 THR HG21 1 1 10 1823 1 1 6 THR HG22 H -2.731 -2.273 3.076 1.00 . A A . 6 THR HG22 1 1 10 1824 1 1 6 THR HG23 H -3.830 -2.854 4.327 1.00 . A A . 6 THR HG23 1 1 10 1825 1 1 6 THR N N -4.009 -2.213 0.800 1.00 . A A . 6 THR N 1 1 10 1826 1 1 6 THR O O -6.481 -1.419 0.064 1.00 . A A . 6 THR O 1 1 10 1827 1 1 6 THR OG1 O -4.335 -0.046 2.611 1.00 . A A . 6 THR OG1 1 1 10 1828 1 1 7 LEU C C -8.670 0.272 1.287 1.00 . A A . 7 LEU C 1 1 10 1829 1 1 7 LEU CA C -8.711 -1.198 1.693 1.00 . A A . 7 LEU CA 1 1 10 1830 1 1 7 LEU CB C -9.722 -1.398 2.824 1.00 . A A . 7 LEU CB 1 1 10 1831 1 1 7 LEU CD1 C -9.637 -3.829 3.433 1.00 . A A . 7 LEU CD1 1 1 10 1832 1 1 7 LEU CD2 C -11.804 -2.586 3.558 1.00 . A A . 7 LEU CD2 1 1 10 1833 1 1 7 LEU CG C -10.482 -2.725 2.816 1.00 . A A . 7 LEU CG 1 1 10 1834 1 1 7 LEU H H -7.249 -1.925 3.040 1.00 . A A . 7 LEU H 1 1 10 1835 1 1 7 LEU HA H -9.016 -1.785 0.840 1.00 . A A . 7 LEU HA 1 1 10 1836 1 1 7 LEU HB2 H -9.189 -1.329 3.759 1.00 . A A . 7 LEU HB2 1 1 10 1837 1 1 7 LEU HB3 H -10.447 -0.600 2.764 1.00 . A A . 7 LEU HB3 1 1 10 1838 1 1 7 LEU HD11 H -8.651 -3.816 2.993 1.00 . A A . 7 LEU HD11 1 1 10 1839 1 1 7 LEU HD12 H -10.102 -4.785 3.246 1.00 . A A . 7 LEU HD12 1 1 10 1840 1 1 7 LEU HD13 H -9.558 -3.669 4.498 1.00 . A A . 7 LEU HD13 1 1 10 1841 1 1 7 LEU HD21 H -12.025 -3.508 4.076 1.00 . A A . 7 LEU HD21 1 1 10 1842 1 1 7 LEU HD22 H -12.593 -2.373 2.851 1.00 . A A . 7 LEU HD22 1 1 10 1843 1 1 7 LEU HD23 H -11.733 -1.779 4.271 1.00 . A A . 7 LEU HD23 1 1 10 1844 1 1 7 LEU HG H -10.699 -3.003 1.794 1.00 . A A . 7 LEU HG 1 1 10 1845 1 1 7 LEU N N -7.391 -1.661 2.107 1.00 . A A . 7 LEU N 1 1 10 1846 1 1 7 LEU O O -9.372 0.691 0.367 1.00 . A A . 7 LEU O 1 1 10 1847 1 1 8 GLN C C -6.563 2.724 0.717 1.00 . A A . 8 GLN C 1 1 10 1848 1 1 8 GLN CA C -7.709 2.472 1.690 1.00 . A A . 8 GLN CA 1 1 10 1849 1 1 8 GLN CB C -7.481 3.258 2.982 1.00 . A A . 8 GLN CB 1 1 10 1850 1 1 8 GLN CD C -9.580 4.660 3.067 1.00 . A A . 8 GLN CD 1 1 10 1851 1 1 8 GLN CG C -8.762 3.574 3.737 1.00 . A A . 8 GLN CG 1 1 10 1852 1 1 8 GLN H H -7.310 0.656 2.701 1.00 . A A . 8 GLN H 1 1 10 1853 1 1 8 GLN HA H -8.630 2.804 1.234 1.00 . A A . 8 GLN HA 1 1 10 1854 1 1 8 GLN HB2 H -6.839 2.681 3.631 1.00 . A A . 8 GLN HB2 1 1 10 1855 1 1 8 GLN HB3 H -6.991 4.190 2.740 1.00 . A A . 8 GLN HB3 1 1 10 1856 1 1 8 GLN HE21 H -8.267 6.038 3.642 1.00 . A A . 8 GLN HE21 1 1 10 1857 1 1 8 GLN HE22 H -9.615 6.619 2.732 1.00 . A A . 8 GLN HE22 1 1 10 1858 1 1 8 GLN HG2 H -9.362 2.678 3.794 1.00 . A A . 8 GLN HG2 1 1 10 1859 1 1 8 GLN HG3 H -8.506 3.899 4.734 1.00 . A A . 8 GLN HG3 1 1 10 1860 1 1 8 GLN N N -7.842 1.049 1.979 1.00 . A A . 8 GLN N 1 1 10 1861 1 1 8 GLN NE2 N -9.107 5.898 3.155 1.00 . A A . 8 GLN NE2 1 1 10 1862 1 1 8 GLN O O -6.078 3.849 0.591 1.00 . A A . 8 GLN O 1 1 10 1863 1 1 8 GLN OE1 O -10.626 4.391 2.476 1.00 . A A . 8 GLN OE1 1 1 10 1864 1 1 9 SER C C -3.859 2.536 -0.325 1.00 . A A . 9 SER C 1 1 10 1865 1 1 9 SER CA C -5.038 1.776 -0.927 1.00 . A A . 9 SER CA 1 1 10 1866 1 1 9 SER CB C -5.514 2.477 -2.200 1.00 . A A . 9 SER CB 1 1 10 1867 1 1 9 SER H H -6.558 0.799 0.176 1.00 . A A . 9 SER H 1 1 10 1868 1 1 9 SER HA H -4.716 0.776 -1.175 1.00 . A A . 9 SER HA 1 1 10 1869 1 1 9 SER HB2 H -4.751 2.396 -2.960 1.00 . A A . 9 SER HB2 1 1 10 1870 1 1 9 SER HB3 H -6.422 2.006 -2.550 1.00 . A A . 9 SER HB3 1 1 10 1871 1 1 9 SER HG H -6.711 4.023 -2.084 1.00 . A A . 9 SER HG 1 1 10 1872 1 1 9 SER N N -6.131 1.670 0.031 1.00 . A A . 9 SER N 1 1 10 1873 1 1 9 SER O O -3.469 3.594 -0.820 1.00 . A A . 9 SER O 1 1 10 1874 1 1 9 SER OG O -5.775 3.850 -1.961 1.00 . A A . 9 SER OG 1 1 10 1875 1 1 10 CYS C C -0.968 2.726 0.479 1.00 . A A . 10 CYS C 1 1 10 1876 1 1 10 CYS CA C -2.164 2.614 1.420 1.00 . A A . 10 CYS CA 1 1 10 1877 1 1 10 CYS CB C -1.776 1.812 2.664 1.00 . A A . 10 CYS CB 1 1 10 1878 1 1 10 CYS H H -3.654 1.146 1.097 1.00 . A A . 10 CYS H 1 1 10 1879 1 1 10 CYS HA H -2.463 3.607 1.722 1.00 . A A . 10 CYS HA 1 1 10 1880 1 1 10 CYS HB2 H -0.957 2.309 3.161 1.00 . A A . 10 CYS HB2 1 1 10 1881 1 1 10 CYS HB3 H -2.622 1.767 3.332 1.00 . A A . 10 CYS HB3 1 1 10 1882 1 1 10 CYS N N -3.297 1.990 0.748 1.00 . A A . 10 CYS N 1 1 10 1883 1 1 10 CYS O O -0.668 1.800 -0.273 1.00 . A A . 10 CYS O 1 1 10 1884 1 1 10 CYS SG S -1.254 0.103 2.312 1.00 . A A . 10 CYS SG 1 1 10 1885 1 1 11 PHE C C 1.997 3.122 0.014 1.00 . A A . 11 PHE C 1 1 10 1886 1 1 11 PHE CA C 0.875 4.101 -0.319 1.00 . A A . 11 PHE CA 1 1 10 1887 1 1 11 PHE CB C 1.372 5.539 -0.153 1.00 . A A . 11 PHE CB 1 1 10 1888 1 1 11 PHE CD1 C -0.643 6.615 -1.191 1.00 . A A . 11 PHE CD1 1 1 10 1889 1 1 11 PHE CD2 C 1.517 7.311 -1.924 1.00 . A A . 11 PHE CD2 1 1 10 1890 1 1 11 PHE CE1 C -1.232 7.504 -2.069 1.00 . A A . 11 PHE CE1 1 1 10 1891 1 1 11 PHE CE2 C 0.934 8.203 -2.806 1.00 . A A . 11 PHE CE2 1 1 10 1892 1 1 11 PHE CG C 0.735 6.507 -1.109 1.00 . A A . 11 PHE CG 1 1 10 1893 1 1 11 PHE CZ C -0.442 8.300 -2.877 1.00 . A A . 11 PHE CZ 1 1 10 1894 1 1 11 PHE H H -0.576 4.568 1.150 1.00 . A A . 11 PHE H 1 1 10 1895 1 1 11 PHE HA H 0.573 3.950 -1.344 1.00 . A A . 11 PHE HA 1 1 10 1896 1 1 11 PHE HB2 H 1.157 5.874 0.850 1.00 . A A . 11 PHE HB2 1 1 10 1897 1 1 11 PHE HB3 H 2.440 5.564 -0.315 1.00 . A A . 11 PHE HB3 1 1 10 1898 1 1 11 PHE HD1 H -1.262 5.994 -0.559 1.00 . A A . 11 PHE HD1 1 1 10 1899 1 1 11 PHE HD2 H 2.593 7.235 -1.868 1.00 . A A . 11 PHE HD2 1 1 10 1900 1 1 11 PHE HE1 H -2.307 7.579 -2.123 1.00 . A A . 11 PHE HE1 1 1 10 1901 1 1 11 PHE HE2 H 1.553 8.823 -3.435 1.00 . A A . 11 PHE HE2 1 1 10 1902 1 1 11 PHE HZ H -0.899 8.996 -3.565 1.00 . A A . 11 PHE HZ 1 1 10 1903 1 1 11 PHE N N -0.288 3.868 0.529 1.00 . A A . 11 PHE N 1 1 10 1904 1 1 11 PHE O O 2.080 2.587 1.120 1.00 . A A . 11 PHE O 1 1 10 1905 1 1 12 PRO C C 5.070 2.514 0.150 1.00 . A A . 12 PRO C 1 1 10 1906 1 1 12 PRO CA C 4.014 1.964 -0.801 1.00 . A A . 12 PRO CA 1 1 10 1907 1 1 12 PRO CB C 4.580 1.844 -2.218 1.00 . A A . 12 PRO CB 1 1 10 1908 1 1 12 PRO CD C 2.843 3.483 -2.308 1.00 . A A . 12 PRO CD 1 1 10 1909 1 1 12 PRO CG C 4.174 3.106 -2.897 1.00 . A A . 12 PRO CG 1 1 10 1910 1 1 12 PRO HA H 3.691 0.993 -0.457 1.00 . A A . 12 PRO HA 1 1 10 1911 1 1 12 PRO HB2 H 5.656 1.749 -2.171 1.00 . A A . 12 PRO HB2 1 1 10 1912 1 1 12 PRO HB3 H 4.157 0.979 -2.706 1.00 . A A . 12 PRO HB3 1 1 10 1913 1 1 12 PRO HD2 H 2.748 4.557 -2.246 1.00 . A A . 12 PRO HD2 1 1 10 1914 1 1 12 PRO HD3 H 2.039 3.065 -2.896 1.00 . A A . 12 PRO HD3 1 1 10 1915 1 1 12 PRO HG2 H 4.903 3.879 -2.703 1.00 . A A . 12 PRO HG2 1 1 10 1916 1 1 12 PRO HG3 H 4.079 2.936 -3.959 1.00 . A A . 12 PRO HG3 1 1 10 1917 1 1 12 PRO N N 2.881 2.880 -0.965 1.00 . A A . 12 PRO N 1 1 10 1918 1 1 12 PRO O O 5.064 3.700 0.482 1.00 . A A . 12 PRO O 1 1 10 1919 1 1 13 ASP C C 8.265 1.151 1.331 1.00 . A A . 13 ASP C 1 1 10 1920 1 1 13 ASP CA C 7.041 2.045 1.499 1.00 . A A . 13 ASP CA 1 1 10 1921 1 1 13 ASP CB C 6.549 1.990 2.946 1.00 . A A . 13 ASP CB 1 1 10 1922 1 1 13 ASP CG C 5.637 3.150 3.293 1.00 . A A . 13 ASP CG 1 1 10 1923 1 1 13 ASP H H 5.928 0.714 0.287 1.00 . A A . 13 ASP H 1 1 10 1924 1 1 13 ASP HA H 7.318 3.062 1.262 1.00 . A A . 13 ASP HA 1 1 10 1925 1 1 13 ASP HB2 H 6.004 1.070 3.099 1.00 . A A . 13 ASP HB2 1 1 10 1926 1 1 13 ASP HB3 H 7.400 2.013 3.610 1.00 . A A . 13 ASP HB3 1 1 10 1927 1 1 13 ASP N N 5.976 1.646 0.586 1.00 . A A . 13 ASP N 1 1 10 1928 1 1 13 ASP O O 8.656 0.436 2.255 1.00 . A A . 13 ASP O 1 1 10 1929 1 1 13 ASP OD1 O 6.142 4.285 3.422 1.00 . A A . 13 ASP OD1 1 1 10 1930 1 1 13 ASP OD2 O 4.417 2.924 3.436 1.00 . A A . 13 ASP OD2 1 1 11 1931 1 1 1 GLY C C 8.876 -1.297 -0.372 1.00 . A A . 1 GLY C 1 1 11 1932 1 1 1 GLY CA C 9.732 -0.105 0.008 1.00 . A A . 1 GLY CA 1 1 11 1933 1 1 1 GLY H1 H 9.307 1.949 0.292 1.00 . A A . 1 GLY H1 1 1 11 1934 1 1 1 GLY HA2 H 10.350 0.165 -0.835 1.00 . A A . 1 GLY HA2 1 1 11 1935 1 1 1 GLY HA3 H 10.371 -0.385 0.833 1.00 . A A . 1 GLY HA3 1 1 11 1936 1 1 1 GLY N N 8.941 1.047 0.399 1.00 . A A . 1 GLY N 1 1 11 1937 1 1 1 GLY O O 8.923 -1.765 -1.510 1.00 . A A . 1 GLY O 1 1 11 1938 1 1 2 ARG C C 5.848 -2.480 -0.143 1.00 . A A . 2 ARG C 1 1 11 1939 1 1 2 ARG CA C 7.222 -2.933 0.341 1.00 . A A . 2 ARG CA 1 1 11 1940 1 1 2 ARG CB C 7.077 -3.767 1.616 1.00 . A A . 2 ARG CB 1 1 11 1941 1 1 2 ARG CD C 7.770 -5.910 2.732 1.00 . A A . 2 ARG CD 1 1 11 1942 1 1 2 ARG CG C 8.199 -4.773 1.816 1.00 . A A . 2 ARG CG 1 1 11 1943 1 1 2 ARG CZ C 7.306 -7.782 1.209 1.00 . A A . 2 ARG CZ 1 1 11 1944 1 1 2 ARG H H 8.098 -1.372 1.469 1.00 . A A . 2 ARG H 1 1 11 1945 1 1 2 ARG HA H 7.679 -3.541 -0.426 1.00 . A A . 2 ARG HA 1 1 11 1946 1 1 2 ARG HB2 H 7.063 -3.103 2.467 1.00 . A A . 2 ARG HB2 1 1 11 1947 1 1 2 ARG HB3 H 6.142 -4.306 1.574 1.00 . A A . 2 ARG HB3 1 1 11 1948 1 1 2 ARG HD2 H 8.651 -6.436 3.067 1.00 . A A . 2 ARG HD2 1 1 11 1949 1 1 2 ARG HD3 H 7.256 -5.492 3.585 1.00 . A A . 2 ARG HD3 1 1 11 1950 1 1 2 ARG HE H 5.923 -6.787 2.246 1.00 . A A . 2 ARG HE 1 1 11 1951 1 1 2 ARG HG2 H 8.477 -5.184 0.857 1.00 . A A . 2 ARG HG2 1 1 11 1952 1 1 2 ARG HG3 H 9.047 -4.269 2.255 1.00 . A A . 2 ARG HG3 1 1 11 1953 1 1 2 ARG HH11 H 9.256 -7.278 1.368 1.00 . A A . 2 ARG HH11 1 1 11 1954 1 1 2 ARG HH12 H 8.915 -8.597 0.298 1.00 . A A . 2 ARG HH12 1 1 11 1955 1 1 2 ARG HH21 H 5.462 -8.522 0.839 1.00 . A A . 2 ARG HH21 1 1 11 1956 1 1 2 ARG HH22 H 6.757 -9.303 -0.003 1.00 . A A . 2 ARG HH22 1 1 11 1957 1 1 2 ARG N N 8.092 -1.788 0.582 1.00 . A A . 2 ARG N 1 1 11 1958 1 1 2 ARG NE N 6.882 -6.852 2.057 1.00 . A A . 2 ARG NE 1 1 11 1959 1 1 2 ARG NH1 N 8.599 -7.895 0.935 1.00 . A A . 2 ARG NH1 1 1 11 1960 1 1 2 ARG NH2 N 6.437 -8.603 0.635 1.00 . A A . 2 ARG NH2 1 1 11 1961 1 1 2 ARG O O 5.438 -1.337 0.055 1.00 . A A . 2 ARG O 1 1 11 1962 1 1 3 PRO C C 2.746 -2.939 -0.211 1.00 . A A . 3 PRO C 1 1 11 1963 1 1 3 PRO CA C 3.778 -3.117 -1.318 1.00 . A A . 3 PRO CA 1 1 11 1964 1 1 3 PRO CB C 3.456 -4.360 -2.153 1.00 . A A . 3 PRO CB 1 1 11 1965 1 1 3 PRO CD C 5.542 -4.782 -1.065 1.00 . A A . 3 PRO CD 1 1 11 1966 1 1 3 PRO CG C 4.284 -5.444 -1.553 1.00 . A A . 3 PRO CG 1 1 11 1967 1 1 3 PRO HA H 3.776 -2.244 -1.955 1.00 . A A . 3 PRO HA 1 1 11 1968 1 1 3 PRO HB2 H 2.401 -4.580 -2.082 1.00 . A A . 3 PRO HB2 1 1 11 1969 1 1 3 PRO HB3 H 3.724 -4.184 -3.185 1.00 . A A . 3 PRO HB3 1 1 11 1970 1 1 3 PRO HD2 H 5.895 -5.261 -0.164 1.00 . A A . 3 PRO HD2 1 1 11 1971 1 1 3 PRO HD3 H 6.303 -4.807 -1.831 1.00 . A A . 3 PRO HD3 1 1 11 1972 1 1 3 PRO HG2 H 3.753 -5.896 -0.730 1.00 . A A . 3 PRO HG2 1 1 11 1973 1 1 3 PRO HG3 H 4.516 -6.185 -2.304 1.00 . A A . 3 PRO HG3 1 1 11 1974 1 1 3 PRO N N 5.117 -3.399 -0.794 1.00 . A A . 3 PRO N 1 1 11 1975 1 1 3 PRO O O 2.841 -3.562 0.847 1.00 . A A . 3 PRO O 1 1 11 1976 1 1 4 CYS C C -0.661 -2.189 -0.046 1.00 . A A . 4 CYS C 1 1 11 1977 1 1 4 CYS CA C 0.709 -1.822 0.517 1.00 . A A . 4 CYS CA 1 1 11 1978 1 1 4 CYS CB C 0.723 -0.349 0.931 1.00 . A A . 4 CYS CB 1 1 11 1979 1 1 4 CYS H H 1.738 -1.617 -1.321 1.00 . A A . 4 CYS H 1 1 11 1980 1 1 4 CYS HA H 0.903 -2.434 1.385 1.00 . A A . 4 CYS HA 1 1 11 1981 1 1 4 CYS HB2 H 1.653 -0.136 1.438 1.00 . A A . 4 CYS HB2 1 1 11 1982 1 1 4 CYS HB3 H 0.652 0.267 0.047 1.00 . A A . 4 CYS HB3 1 1 11 1983 1 1 4 CYS N N 1.759 -2.084 -0.459 1.00 . A A . 4 CYS N 1 1 11 1984 1 1 4 CYS O O -1.300 -1.386 -0.728 1.00 . A A . 4 CYS O 1 1 11 1985 1 1 4 CYS SG S -0.636 0.123 2.048 1.00 . A A . 4 CYS SG 1 1 11 1986 1 1 5 TYR C C -3.445 -3.824 0.872 1.00 . A A . 5 TYR C 1 1 11 1987 1 1 5 TYR CA C -2.398 -3.883 -0.236 1.00 . A A . 5 TYR CA 1 1 11 1988 1 1 5 TYR CB C -2.276 -5.313 -0.762 1.00 . A A . 5 TYR CB 1 1 11 1989 1 1 5 TYR CD1 C -0.334 -4.963 -2.338 1.00 . A A . 5 TYR CD1 1 1 11 1990 1 1 5 TYR CD2 C -2.331 -5.930 -3.210 1.00 . A A . 5 TYR CD2 1 1 11 1991 1 1 5 TYR CE1 C 0.255 -5.042 -3.585 1.00 . A A . 5 TYR CE1 1 1 11 1992 1 1 5 TYR CE2 C -1.749 -6.015 -4.461 1.00 . A A . 5 TYR CE2 1 1 11 1993 1 1 5 TYR CG C -1.635 -5.403 -2.129 1.00 . A A . 5 TYR CG 1 1 11 1994 1 1 5 TYR CZ C -0.457 -5.570 -4.644 1.00 . A A . 5 TYR CZ 1 1 11 1995 1 1 5 TYR H H -0.552 -4.002 0.789 1.00 . A A . 5 TYR H 1 1 11 1996 1 1 5 TYR HA H -2.710 -3.238 -1.044 1.00 . A A . 5 TYR HA 1 1 11 1997 1 1 5 TYR HB2 H -1.676 -5.892 -0.077 1.00 . A A . 5 TYR HB2 1 1 11 1998 1 1 5 TYR HB3 H -3.262 -5.751 -0.828 1.00 . A A . 5 TYR HB3 1 1 11 1999 1 1 5 TYR HD1 H 0.220 -4.551 -1.508 1.00 . A A . 5 TYR HD1 1 1 11 2000 1 1 5 TYR HD2 H -3.343 -6.278 -3.065 1.00 . A A . 5 TYR HD2 1 1 11 2001 1 1 5 TYR HE1 H 1.266 -4.694 -3.729 1.00 . A A . 5 TYR HE1 1 1 11 2002 1 1 5 TYR HE2 H -2.306 -6.427 -5.289 1.00 . A A . 5 TYR HE2 1 1 11 2003 1 1 5 TYR HH H 0.288 -6.573 -6.104 1.00 . A A . 5 TYR HH 1 1 11 2004 1 1 5 TYR N N -1.106 -3.407 0.243 1.00 . A A . 5 TYR N 1 1 11 2005 1 1 5 TYR O O -3.418 -4.620 1.812 1.00 . A A . 5 TYR O 1 1 11 2006 1 1 5 TYR OH O 0.127 -5.652 -5.886 1.00 . A A . 5 TYR OH 1 1 11 2007 1 1 6 THR C C -6.614 -1.956 1.161 1.00 . A A . 6 THR C 1 1 11 2008 1 1 6 THR CA C -5.426 -2.710 1.746 1.00 . A A . 6 THR CA 1 1 11 2009 1 1 6 THR CB C -4.916 -1.958 2.990 1.00 . A A . 6 THR CB 1 1 11 2010 1 1 6 THR CG2 C -4.300 -2.924 3.991 1.00 . A A . 6 THR CG2 1 1 11 2011 1 1 6 THR H H -4.337 -2.271 -0.016 1.00 . A A . 6 THR H 1 1 11 2012 1 1 6 THR HA H -5.750 -3.693 2.053 1.00 . A A . 6 THR HA 1 1 11 2013 1 1 6 THR HB H -5.753 -1.462 3.459 1.00 . A A . 6 THR HB 1 1 11 2014 1 1 6 THR HG1 H -4.161 -0.638 1.734 1.00 . A A . 6 THR HG1 1 1 11 2015 1 1 6 THR HG21 H -4.220 -2.442 4.955 1.00 . A A . 6 THR HG21 1 1 11 2016 1 1 6 THR HG22 H -3.316 -3.215 3.652 1.00 . A A . 6 THR HG22 1 1 11 2017 1 1 6 THR HG23 H -4.923 -3.800 4.077 1.00 . A A . 6 THR HG23 1 1 11 2018 1 1 6 THR N N -4.368 -2.875 0.756 1.00 . A A . 6 THR N 1 1 11 2019 1 1 6 THR O O -6.551 -1.452 0.040 1.00 . A A . 6 THR O 1 1 11 2020 1 1 6 THR OG1 O -3.947 -0.976 2.607 1.00 . A A . 6 THR OG1 1 1 11 2021 1 1 7 LEU C C -8.599 0.271 1.155 1.00 . A A . 7 LEU C 1 1 11 2022 1 1 7 LEU CA C -8.901 -1.188 1.487 1.00 . A A . 7 LEU CA 1 1 11 2023 1 1 7 LEU CB C -9.982 -1.263 2.566 1.00 . A A . 7 LEU CB 1 1 11 2024 1 1 7 LEU CD1 C -12.467 -1.281 2.893 1.00 . A A . 7 LEU CD1 1 1 11 2025 1 1 7 LEU CD2 C -11.247 0.896 2.717 1.00 . A A . 7 LEU CD2 1 1 11 2026 1 1 7 LEU CG C -11.298 -0.552 2.250 1.00 . A A . 7 LEU CG 1 1 11 2027 1 1 7 LEU H H -7.686 -2.304 2.812 1.00 . A A . 7 LEU H 1 1 11 2028 1 1 7 LEU HA H -9.259 -1.680 0.595 1.00 . A A . 7 LEU HA 1 1 11 2029 1 1 7 LEU HB2 H -10.203 -2.305 2.740 1.00 . A A . 7 LEU HB2 1 1 11 2030 1 1 7 LEU HB3 H -9.578 -0.828 3.469 1.00 . A A . 7 LEU HB3 1 1 11 2031 1 1 7 LEU HD11 H -13.388 -0.777 2.642 1.00 . A A . 7 LEU HD11 1 1 11 2032 1 1 7 LEU HD12 H -12.341 -1.287 3.966 1.00 . A A . 7 LEU HD12 1 1 11 2033 1 1 7 LEU HD13 H -12.501 -2.298 2.530 1.00 . A A . 7 LEU HD13 1 1 11 2034 1 1 7 LEU HD21 H -10.283 1.097 3.160 1.00 . A A . 7 LEU HD21 1 1 11 2035 1 1 7 LEU HD22 H -12.022 1.065 3.449 1.00 . A A . 7 LEU HD22 1 1 11 2036 1 1 7 LEU HD23 H -11.400 1.551 1.872 1.00 . A A . 7 LEU HD23 1 1 11 2037 1 1 7 LEU HG H -11.452 -0.554 1.179 1.00 . A A . 7 LEU HG 1 1 11 2038 1 1 7 LEU N N -7.696 -1.882 1.929 1.00 . A A . 7 LEU N 1 1 11 2039 1 1 7 LEU O O -9.168 0.835 0.222 1.00 . A A . 7 LEU O 1 1 11 2040 1 1 8 GLN C C -6.206 2.372 0.673 1.00 . A A . 8 GLN C 1 1 11 2041 1 1 8 GLN CA C -7.318 2.264 1.711 1.00 . A A . 8 GLN CA 1 1 11 2042 1 1 8 GLN CB C -6.867 2.900 3.027 1.00 . A A . 8 GLN CB 1 1 11 2043 1 1 8 GLN CD C -7.548 3.965 5.214 1.00 . A A . 8 GLN CD 1 1 11 2044 1 1 8 GLN CG C -8.018 3.371 3.901 1.00 . A A . 8 GLN CG 1 1 11 2045 1 1 8 GLN H H -7.278 0.369 2.653 1.00 . A A . 8 GLN H 1 1 11 2046 1 1 8 GLN HA H -8.187 2.791 1.347 1.00 . A A . 8 GLN HA 1 1 11 2047 1 1 8 GLN HB2 H -6.293 2.175 3.585 1.00 . A A . 8 GLN HB2 1 1 11 2048 1 1 8 GLN HB3 H -6.239 3.751 2.806 1.00 . A A . 8 GLN HB3 1 1 11 2049 1 1 8 GLN HE21 H -7.066 2.157 5.887 1.00 . A A . 8 GLN HE21 1 1 11 2050 1 1 8 GLN HE22 H -6.771 3.466 6.974 1.00 . A A . 8 GLN HE22 1 1 11 2051 1 1 8 GLN HG2 H -8.576 4.124 3.363 1.00 . A A . 8 GLN HG2 1 1 11 2052 1 1 8 GLN HG3 H -8.661 2.530 4.111 1.00 . A A . 8 GLN HG3 1 1 11 2053 1 1 8 GLN N N -7.697 0.872 1.924 1.00 . A A . 8 GLN N 1 1 11 2054 1 1 8 GLN NE2 N -7.082 3.110 6.117 1.00 . A A . 8 GLN NE2 1 1 11 2055 1 1 8 GLN O O -6.054 3.402 0.017 1.00 . A A . 8 GLN O 1 1 11 2056 1 1 8 GLN OE1 O -7.604 5.178 5.416 1.00 . A A . 8 GLN OE1 1 1 11 2057 1 1 9 SER C C -3.347 2.412 -0.151 1.00 . A A . 9 SER C 1 1 11 2058 1 1 9 SER CA C -4.330 1.279 -0.427 1.00 . A A . 9 SER CA 1 1 11 2059 1 1 9 SER CB C -4.865 1.386 -1.856 1.00 . A A . 9 SER CB 1 1 11 2060 1 1 9 SER H H -5.603 0.510 1.081 1.00 . A A . 9 SER H 1 1 11 2061 1 1 9 SER HA H -3.815 0.336 -0.315 1.00 . A A . 9 SER HA 1 1 11 2062 1 1 9 SER HB2 H -5.805 0.861 -1.927 1.00 . A A . 9 SER HB2 1 1 11 2063 1 1 9 SER HB3 H -5.015 2.428 -2.102 1.00 . A A . 9 SER HB3 1 1 11 2064 1 1 9 SER HG H -3.710 1.486 -3.436 1.00 . A A . 9 SER HG 1 1 11 2065 1 1 9 SER N N -5.431 1.302 0.529 1.00 . A A . 9 SER N 1 1 11 2066 1 1 9 SER O O -3.167 3.308 -0.977 1.00 . A A . 9 SER O 1 1 11 2067 1 1 9 SER OG O -3.955 0.823 -2.785 1.00 . A A . 9 SER OG 1 1 11 2068 1 1 10 CYS C C -0.560 3.406 0.446 1.00 . A A . 10 CYS C 1 1 11 2069 1 1 10 CYS CA C -1.750 3.390 1.402 1.00 . A A . 10 CYS CA 1 1 11 2070 1 1 10 CYS CB C -1.265 3.150 2.833 1.00 . A A . 10 CYS CB 1 1 11 2071 1 1 10 CYS H H -2.899 1.628 1.633 1.00 . A A . 10 CYS H 1 1 11 2072 1 1 10 CYS HA H -2.245 4.348 1.356 1.00 . A A . 10 CYS HA 1 1 11 2073 1 1 10 CYS HB2 H -0.828 4.061 3.215 1.00 . A A . 10 CYS HB2 1 1 11 2074 1 1 10 CYS HB3 H -2.109 2.876 3.449 1.00 . A A . 10 CYS HB3 1 1 11 2075 1 1 10 CYS N N -2.713 2.368 1.016 1.00 . A A . 10 CYS N 1 1 11 2076 1 1 10 CYS O O -0.215 2.385 -0.149 1.00 . A A . 10 CYS O 1 1 11 2077 1 1 10 CYS SG S -0.016 1.832 2.984 1.00 . A A . 10 CYS SG 1 1 11 2078 1 1 11 PHE C C 2.270 3.659 -0.280 1.00 . A A . 11 PHE C 1 1 11 2079 1 1 11 PHE CA C 1.215 4.720 -0.578 1.00 . A A . 11 PHE CA 1 1 11 2080 1 1 11 PHE CB C 1.822 6.116 -0.427 1.00 . A A . 11 PHE CB 1 1 11 2081 1 1 11 PHE CD1 C -0.001 7.713 -1.076 1.00 . A A . 11 PHE CD1 1 1 11 2082 1 1 11 PHE CD2 C 1.890 7.508 -2.515 1.00 . A A . 11 PHE CD2 1 1 11 2083 1 1 11 PHE CE1 C -0.553 8.649 -1.932 1.00 . A A . 11 PHE CE1 1 1 11 2084 1 1 11 PHE CE2 C 1.343 8.443 -3.374 1.00 . A A . 11 PHE CE2 1 1 11 2085 1 1 11 PHE CG C 1.225 7.132 -1.359 1.00 . A A . 11 PHE CG 1 1 11 2086 1 1 11 PHE CZ C 0.120 9.014 -3.081 1.00 . A A . 11 PHE CZ 1 1 11 2087 1 1 11 PHE H H -0.257 5.349 0.808 1.00 . A A . 11 PHE H 1 1 11 2088 1 1 11 PHE HA H 0.871 4.593 -1.592 1.00 . A A . 11 PHE HA 1 1 11 2089 1 1 11 PHE HB2 H 1.667 6.462 0.583 1.00 . A A . 11 PHE HB2 1 1 11 2090 1 1 11 PHE HB3 H 2.882 6.063 -0.628 1.00 . A A . 11 PHE HB3 1 1 11 2091 1 1 11 PHE HD1 H -0.529 7.430 -0.178 1.00 . A A . 11 PHE HD1 1 1 11 2092 1 1 11 PHE HD2 H 2.848 7.061 -2.744 1.00 . A A . 11 PHE HD2 1 1 11 2093 1 1 11 PHE HE1 H -1.509 9.094 -1.701 1.00 . A A . 11 PHE HE1 1 1 11 2094 1 1 11 PHE HE2 H 1.872 8.727 -4.271 1.00 . A A . 11 PHE HE2 1 1 11 2095 1 1 11 PHE HZ H -0.309 9.745 -3.751 1.00 . A A . 11 PHE HZ 1 1 11 2096 1 1 11 PHE N N 0.064 4.571 0.306 1.00 . A A . 11 PHE N 1 1 11 2097 1 1 11 PHE O O 2.347 3.116 0.823 1.00 . A A . 11 PHE O 1 1 11 2098 1 1 12 PRO C C 5.294 2.826 -0.236 1.00 . A A . 12 PRO C 1 1 11 2099 1 1 12 PRO CA C 4.170 2.359 -1.157 1.00 . A A . 12 PRO CA 1 1 11 2100 1 1 12 PRO CB C 4.684 2.201 -2.589 1.00 . A A . 12 PRO CB 1 1 11 2101 1 1 12 PRO CD C 3.070 3.964 -2.626 1.00 . A A . 12 PRO CD 1 1 11 2102 1 1 12 PRO CG C 4.352 3.491 -3.255 1.00 . A A . 12 PRO CG 1 1 11 2103 1 1 12 PRO HA H 3.788 1.412 -0.804 1.00 . A A . 12 PRO HA 1 1 11 2104 1 1 12 PRO HB2 H 5.751 2.025 -2.576 1.00 . A A . 12 PRO HB2 1 1 11 2105 1 1 12 PRO HB3 H 4.184 1.371 -3.066 1.00 . A A . 12 PRO HB3 1 1 11 2106 1 1 12 PRO HD2 H 3.058 5.042 -2.560 1.00 . A A . 12 PRO HD2 1 1 11 2107 1 1 12 PRO HD3 H 2.220 3.608 -3.189 1.00 . A A . 12 PRO HD3 1 1 11 2108 1 1 12 PRO HG2 H 5.141 4.208 -3.083 1.00 . A A . 12 PRO HG2 1 1 11 2109 1 1 12 PRO HG3 H 4.213 3.333 -4.314 1.00 . A A . 12 PRO HG3 1 1 11 2110 1 1 12 PRO N N 3.104 3.356 -1.285 1.00 . A A . 12 PRO N 1 1 11 2111 1 1 12 PRO O O 5.589 4.019 -0.158 1.00 . A A . 12 PRO O 1 1 11 2112 1 1 13 ASP C C 8.043 1.075 1.387 1.00 . A A . 13 ASP C 1 1 11 2113 1 1 13 ASP CA C 7.007 2.194 1.371 1.00 . A A . 13 ASP CA 1 1 11 2114 1 1 13 ASP CB C 6.468 2.426 2.784 1.00 . A A . 13 ASP CB 1 1 11 2115 1 1 13 ASP CG C 5.796 3.776 2.934 1.00 . A A . 13 ASP CG 1 1 11 2116 1 1 13 ASP H H 5.634 0.947 0.353 1.00 . A A . 13 ASP H 1 1 11 2117 1 1 13 ASP HA H 7.479 3.101 1.024 1.00 . A A . 13 ASP HA 1 1 11 2118 1 1 13 ASP HB2 H 5.745 1.657 3.017 1.00 . A A . 13 ASP HB2 1 1 11 2119 1 1 13 ASP HB3 H 7.285 2.371 3.488 1.00 . A A . 13 ASP HB3 1 1 11 2120 1 1 13 ASP N N 5.915 1.880 0.458 1.00 . A A . 13 ASP N 1 1 11 2121 1 1 13 ASP O O 8.138 0.316 2.352 1.00 . A A . 13 ASP O 1 1 11 2122 1 1 13 ASP OD1 O 6.235 4.734 2.264 1.00 . A A . 13 ASP OD1 1 1 11 2123 1 1 13 ASP OD2 O 4.831 3.876 3.720 1.00 . A A . 13 ASP OD2 1 1 12 2124 1 1 1 GLY C C 8.882 -1.312 -0.374 1.00 . A A . 1 GLY C 1 1 12 2125 1 1 1 GLY CA C 9.745 -0.125 0.002 1.00 . A A . 1 GLY CA 1 1 12 2126 1 1 1 GLY H1 H 9.270 1.933 0.155 1.00 . A A . 1 GLY H1 1 1 12 2127 1 1 1 GLY HA2 H 10.364 0.139 -0.843 1.00 . A A . 1 GLY HA2 1 1 12 2128 1 1 1 GLY HA3 H 10.382 -0.405 0.828 1.00 . A A . 1 GLY HA3 1 1 12 2129 1 1 1 GLY N N 8.959 1.033 0.388 1.00 . A A . 1 GLY N 1 1 12 2130 1 1 1 GLY O O 8.927 -1.787 -1.510 1.00 . A A . 1 GLY O 1 1 12 2131 1 1 2 ARG C C 5.846 -2.479 -0.137 1.00 . A A . 2 ARG C 1 1 12 2132 1 1 2 ARG CA C 7.218 -2.937 0.345 1.00 . A A . 2 ARG CA 1 1 12 2133 1 1 2 ARG CB C 7.071 -3.766 1.622 1.00 . A A . 2 ARG CB 1 1 12 2134 1 1 2 ARG CD C 7.899 -6.106 1.229 1.00 . A A . 2 ARG CD 1 1 12 2135 1 1 2 ARG CG C 8.208 -4.750 1.844 1.00 . A A . 2 ARG CG 1 1 12 2136 1 1 2 ARG CZ C 8.960 -8.323 1.161 1.00 . A A . 2 ARG CZ 1 1 12 2137 1 1 2 ARG H H 8.103 -1.375 1.466 1.00 . A A . 2 ARG H 1 1 12 2138 1 1 2 ARG HA H 7.671 -3.549 -0.421 1.00 . A A . 2 ARG HA 1 1 12 2139 1 1 2 ARG HB2 H 7.033 -3.098 2.470 1.00 . A A . 2 ARG HB2 1 1 12 2140 1 1 2 ARG HB3 H 6.147 -4.323 1.571 1.00 . A A . 2 ARG HB3 1 1 12 2141 1 1 2 ARG HD2 H 6.867 -6.352 1.432 1.00 . A A . 2 ARG HD2 1 1 12 2142 1 1 2 ARG HD3 H 8.051 -6.045 0.161 1.00 . A A . 2 ARG HD3 1 1 12 2143 1 1 2 ARG HE H 9.191 -6.992 2.629 1.00 . A A . 2 ARG HE 1 1 12 2144 1 1 2 ARG HG2 H 9.105 -4.358 1.390 1.00 . A A . 2 ARG HG2 1 1 12 2145 1 1 2 ARG HG3 H 8.363 -4.874 2.906 1.00 . A A . 2 ARG HG3 1 1 12 2146 1 1 2 ARG HH11 H 7.784 -7.895 -0.425 1.00 . A A . 2 ARG HH11 1 1 12 2147 1 1 2 ARG HH12 H 8.539 -9.455 -0.459 1.00 . A A . 2 ARG HH12 1 1 12 2148 1 1 2 ARG HH21 H 10.190 -9.043 2.594 1.00 . A A . 2 ARG HH21 1 1 12 2149 1 1 2 ARG HH22 H 9.906 -10.107 1.259 1.00 . A A . 2 ARG HH22 1 1 12 2150 1 1 2 ARG N N 8.094 -1.796 0.581 1.00 . A A . 2 ARG N 1 1 12 2151 1 1 2 ARG NE N 8.753 -7.161 1.770 1.00 . A A . 2 ARG NE 1 1 12 2152 1 1 2 ARG NH1 N 8.379 -8.579 -0.002 1.00 . A A . 2 ARG NH1 1 1 12 2153 1 1 2 ARG NH2 N 9.750 -9.233 1.717 1.00 . A A . 2 ARG NH2 1 1 12 2154 1 1 2 ARG O O 5.440 -1.334 0.063 1.00 . A A . 2 ARG O 1 1 12 2155 1 1 3 PRO C C 2.743 -2.926 -0.208 1.00 . A A . 3 PRO C 1 1 12 2156 1 1 3 PRO CA C 3.775 -3.105 -1.317 1.00 . A A . 3 PRO CA 1 1 12 2157 1 1 3 PRO CB C 3.449 -4.344 -2.156 1.00 . A A . 3 PRO CB 1 1 12 2158 1 1 3 PRO CD C 5.533 -4.777 -1.067 1.00 . A A . 3 PRO CD 1 1 12 2159 1 1 3 PRO CG C 4.273 -5.432 -1.559 1.00 . A A . 3 PRO CG 1 1 12 2160 1 1 3 PRO HA H 3.777 -2.230 -1.950 1.00 . A A . 3 PRO HA 1 1 12 2161 1 1 3 PRO HB2 H 2.393 -4.562 -2.086 1.00 . A A . 3 PRO HB2 1 1 12 2162 1 1 3 PRO HB3 H 3.719 -4.165 -3.186 1.00 . A A . 3 PRO HB3 1 1 12 2163 1 1 3 PRO HD2 H 5.885 -5.259 -0.168 1.00 . A A . 3 PRO HD2 1 1 12 2164 1 1 3 PRO HD3 H 6.295 -4.801 -1.833 1.00 . A A . 3 PRO HD3 1 1 12 2165 1 1 3 PRO HG2 H 3.741 -5.886 -0.737 1.00 . A A . 3 PRO HG2 1 1 12 2166 1 1 3 PRO HG3 H 4.504 -6.172 -2.311 1.00 . A A . 3 PRO HG3 1 1 12 2167 1 1 3 PRO N N 5.113 -3.393 -0.791 1.00 . A A . 3 PRO N 1 1 12 2168 1 1 3 PRO O O 2.844 -3.543 0.853 1.00 . A A . 3 PRO O 1 1 12 2169 1 1 4 CYS C C -0.669 -2.202 -0.044 1.00 . A A . 4 CYS C 1 1 12 2170 1 1 4 CYS CA C 0.699 -1.821 0.515 1.00 . A A . 4 CYS CA 1 1 12 2171 1 1 4 CYS CB C 0.703 -0.345 0.919 1.00 . A A . 4 CYS CB 1 1 12 2172 1 1 4 CYS H H 1.724 -1.619 -1.326 1.00 . A A . 4 CYS H 1 1 12 2173 1 1 4 CYS HA H 0.898 -2.425 1.387 1.00 . A A . 4 CYS HA 1 1 12 2174 1 1 4 CYS HB2 H 1.637 -0.118 1.412 1.00 . A A . 4 CYS HB2 1 1 12 2175 1 1 4 CYS HB3 H 0.612 0.264 0.033 1.00 . A A . 4 CYS HB3 1 1 12 2176 1 1 4 CYS N N 1.750 -2.081 -0.461 1.00 . A A . 4 CYS N 1 1 12 2177 1 1 4 CYS O O -1.313 -1.409 -0.732 1.00 . A A . 4 CYS O 1 1 12 2178 1 1 4 CYS SG S -0.646 0.119 2.053 1.00 . A A . 4 CYS SG 1 1 12 2179 1 1 5 TYR C C -3.443 -3.841 0.888 1.00 . A A . 5 TYR C 1 1 12 2180 1 1 5 TYR CA C -2.396 -3.909 -0.219 1.00 . A A . 5 TYR CA 1 1 12 2181 1 1 5 TYR CB C -2.266 -5.345 -0.728 1.00 . A A . 5 TYR CB 1 1 12 2182 1 1 5 TYR CD1 C -1.037 -4.599 -2.804 1.00 . A A . 5 TYR CD1 1 1 12 2183 1 1 5 TYR CD2 C -0.327 -6.610 -1.738 1.00 . A A . 5 TYR CD2 1 1 12 2184 1 1 5 TYR CE1 C -0.055 -4.756 -3.764 1.00 . A A . 5 TYR CE1 1 1 12 2185 1 1 5 TYR CE2 C 0.657 -6.774 -2.693 1.00 . A A . 5 TYR CE2 1 1 12 2186 1 1 5 TYR CG C -1.189 -5.521 -1.776 1.00 . A A . 5 TYR CG 1 1 12 2187 1 1 5 TYR CZ C 0.789 -5.845 -3.704 1.00 . A A . 5 TYR CZ 1 1 12 2188 1 1 5 TYR H H -0.547 -4.007 0.807 1.00 . A A . 5 TYR H 1 1 12 2189 1 1 5 TYR HA H -2.710 -3.275 -1.036 1.00 . A A . 5 TYR HA 1 1 12 2190 1 1 5 TYR HB2 H -2.029 -5.993 0.101 1.00 . A A . 5 TYR HB2 1 1 12 2191 1 1 5 TYR HB3 H -3.205 -5.653 -1.162 1.00 . A A . 5 TYR HB3 1 1 12 2192 1 1 5 TYR HD1 H -1.700 -3.747 -2.849 1.00 . A A . 5 TYR HD1 1 1 12 2193 1 1 5 TYR HD2 H -0.433 -7.335 -0.945 1.00 . A A . 5 TYR HD2 1 1 12 2194 1 1 5 TYR HE1 H 0.048 -4.029 -4.556 1.00 . A A . 5 TYR HE1 1 1 12 2195 1 1 5 TYR HE2 H 1.319 -7.627 -2.646 1.00 . A A . 5 TYR HE2 1 1 12 2196 1 1 5 TYR HH H 1.524 -5.523 -5.451 1.00 . A A . 5 TYR HH 1 1 12 2197 1 1 5 TYR N N -1.106 -3.420 0.255 1.00 . A A . 5 TYR N 1 1 12 2198 1 1 5 TYR O O -3.414 -4.626 1.836 1.00 . A A . 5 TYR O 1 1 12 2199 1 1 5 TYR OH O 1.768 -6.005 -4.657 1.00 . A A . 5 TYR OH 1 1 12 2200 1 1 6 THR C C -6.622 -1.986 1.153 1.00 . A A . 6 THR C 1 1 12 2201 1 1 6 THR CA C -5.429 -2.727 1.746 1.00 . A A . 6 THR CA 1 1 12 2202 1 1 6 THR CB C -4.925 -1.957 2.982 1.00 . A A . 6 THR CB 1 1 12 2203 1 1 6 THR CG2 C -4.300 -2.907 3.993 1.00 . A A . 6 THR CG2 1 1 12 2204 1 1 6 THR H H -4.342 -2.303 -0.020 1.00 . A A . 6 THR H 1 1 12 2205 1 1 6 THR HA H -5.750 -3.709 2.066 1.00 . A A . 6 THR HA 1 1 12 2206 1 1 6 THR HB H -5.766 -1.462 3.447 1.00 . A A . 6 THR HB 1 1 12 2207 1 1 6 THR HG1 H -3.716 -0.442 3.349 1.00 . A A . 6 THR HG1 1 1 12 2208 1 1 6 THR HG21 H -4.217 -2.411 4.949 1.00 . A A . 6 THR HG21 1 1 12 2209 1 1 6 THR HG22 H -3.319 -3.200 3.653 1.00 . A A . 6 THR HG22 1 1 12 2210 1 1 6 THR HG23 H -4.922 -3.783 4.096 1.00 . A A . 6 THR HG23 1 1 12 2211 1 1 6 THR N N -4.372 -2.898 0.759 1.00 . A A . 6 THR N 1 1 12 2212 1 1 6 THR O O -6.576 -1.530 0.010 1.00 . A A . 6 THR O 1 1 12 2213 1 1 6 THR OG1 O -3.963 -0.973 2.587 1.00 . A A . 6 THR OG1 1 1 12 2214 1 1 7 LEU C C -8.597 0.272 1.140 1.00 . A A . 7 LEU C 1 1 12 2215 1 1 7 LEU CA C -8.895 -1.183 1.485 1.00 . A A . 7 LEU CA 1 1 12 2216 1 1 7 LEU CB C -9.977 -1.252 2.565 1.00 . A A . 7 LEU CB 1 1 12 2217 1 1 7 LEU CD1 C -12.084 -1.793 1.320 1.00 . A A . 7 LEU CD1 1 1 12 2218 1 1 7 LEU CD2 C -12.182 -0.393 3.391 1.00 . A A . 7 LEU CD2 1 1 12 2219 1 1 7 LEU CG C -11.363 -0.750 2.160 1.00 . A A . 7 LEU CG 1 1 12 2220 1 1 7 LEU H H -7.667 -2.256 2.835 1.00 . A A . 7 LEU H 1 1 12 2221 1 1 7 LEU HA H -9.252 -1.686 0.599 1.00 . A A . 7 LEU HA 1 1 12 2222 1 1 7 LEU HB2 H -10.075 -2.282 2.870 1.00 . A A . 7 LEU HB2 1 1 12 2223 1 1 7 LEU HB3 H -9.642 -0.660 3.406 1.00 . A A . 7 LEU HB3 1 1 12 2224 1 1 7 LEU HD11 H -11.870 -2.777 1.707 1.00 . A A . 7 LEU HD11 1 1 12 2225 1 1 7 LEU HD12 H -11.748 -1.726 0.296 1.00 . A A . 7 LEU HD12 1 1 12 2226 1 1 7 LEU HD13 H -13.149 -1.614 1.361 1.00 . A A . 7 LEU HD13 1 1 12 2227 1 1 7 LEU HD21 H -12.036 -1.148 4.151 1.00 . A A . 7 LEU HD21 1 1 12 2228 1 1 7 LEU HD22 H -13.229 -0.347 3.127 1.00 . A A . 7 LEU HD22 1 1 12 2229 1 1 7 LEU HD23 H -11.864 0.566 3.770 1.00 . A A . 7 LEU HD23 1 1 12 2230 1 1 7 LEU HG H -11.254 0.144 1.560 1.00 . A A . 7 LEU HG 1 1 12 2231 1 1 7 LEU N N -7.689 -1.871 1.935 1.00 . A A . 7 LEU N 1 1 12 2232 1 1 7 LEU O O -9.165 0.824 0.199 1.00 . A A . 7 LEU O 1 1 12 2233 1 1 8 GLN C C -6.208 2.376 0.648 1.00 . A A . 8 GLN C 1 1 12 2234 1 1 8 GLN CA C -7.326 2.275 1.680 1.00 . A A . 8 GLN CA 1 1 12 2235 1 1 8 GLN CB C -6.885 2.927 2.992 1.00 . A A . 8 GLN CB 1 1 12 2236 1 1 8 GLN CD C -8.416 4.810 3.694 1.00 . A A . 8 GLN CD 1 1 12 2237 1 1 8 GLN CG C -8.044 3.352 3.879 1.00 . A A . 8 GLN CG 1 1 12 2238 1 1 8 GLN H H -7.282 0.390 2.641 1.00 . A A . 8 GLN H 1 1 12 2239 1 1 8 GLN HA H -8.194 2.795 1.304 1.00 . A A . 8 GLN HA 1 1 12 2240 1 1 8 GLN HB2 H -6.277 2.225 3.542 1.00 . A A . 8 GLN HB2 1 1 12 2241 1 1 8 GLN HB3 H -6.295 3.802 2.764 1.00 . A A . 8 GLN HB3 1 1 12 2242 1 1 8 GLN HE21 H -6.746 5.378 4.612 1.00 . A A . 8 GLN HE21 1 1 12 2243 1 1 8 GLN HE22 H -7.776 6.654 4.067 1.00 . A A . 8 GLN HE22 1 1 12 2244 1 1 8 GLN HG2 H -8.905 2.744 3.641 1.00 . A A . 8 GLN HG2 1 1 12 2245 1 1 8 GLN HG3 H -7.768 3.193 4.911 1.00 . A A . 8 GLN HG3 1 1 12 2246 1 1 8 GLN N N -7.701 0.885 1.906 1.00 . A A . 8 GLN N 1 1 12 2247 1 1 8 GLN NE2 N -7.560 5.704 4.173 1.00 . A A . 8 GLN NE2 1 1 12 2248 1 1 8 GLN O O -6.055 3.400 -0.018 1.00 . A A . 8 GLN O 1 1 12 2249 1 1 8 GLN OE1 O -9.462 5.129 3.127 1.00 . A A . 8 GLN OE1 1 1 12 2250 1 1 9 SER C C -3.335 2.408 -0.148 1.00 . A A . 9 SER C 1 1 12 2251 1 1 9 SER CA C -4.320 1.277 -0.427 1.00 . A A . 9 SER CA 1 1 12 2252 1 1 9 SER CB C -4.845 1.385 -1.860 1.00 . A A . 9 SER CB 1 1 12 2253 1 1 9 SER H H -5.600 0.522 1.081 1.00 . A A . 9 SER H 1 1 12 2254 1 1 9 SER HA H -3.809 0.334 -0.309 1.00 . A A . 9 SER HA 1 1 12 2255 1 1 9 SER HB2 H -5.321 2.343 -1.995 1.00 . A A . 9 SER HB2 1 1 12 2256 1 1 9 SER HB3 H -4.018 1.292 -2.550 1.00 . A A . 9 SER HB3 1 1 12 2257 1 1 9 SER HG H -6.349 0.633 -2.865 1.00 . A A . 9 SER HG 1 1 12 2258 1 1 9 SER N N -5.427 1.308 0.521 1.00 . A A . 9 SER N 1 1 12 2259 1 1 9 SER O O -3.138 3.295 -0.980 1.00 . A A . 9 SER O 1 1 12 2260 1 1 9 SER OG O -5.787 0.363 -2.136 1.00 . A A . 9 SER OG 1 1 12 2261 1 1 10 CYS C C -0.567 3.414 0.463 1.00 . A A . 10 CYS C 1 1 12 2262 1 1 10 CYS CA C -1.755 3.393 1.420 1.00 . A A . 10 CYS CA 1 1 12 2263 1 1 10 CYS CB C -1.268 3.144 2.849 1.00 . A A . 10 CYS CB 1 1 12 2264 1 1 10 CYS H H -2.918 1.639 1.650 1.00 . A A . 10 CYS H 1 1 12 2265 1 1 10 CYS HA H -2.251 4.351 1.380 1.00 . A A . 10 CYS HA 1 1 12 2266 1 1 10 CYS HB2 H -0.829 4.052 3.235 1.00 . A A . 10 CYS HB2 1 1 12 2267 1 1 10 CYS HB3 H -2.111 2.869 3.465 1.00 . A A . 10 CYS HB3 1 1 12 2268 1 1 10 CYS N N -2.719 2.372 1.029 1.00 . A A . 10 CYS N 1 1 12 2269 1 1 10 CYS O O -0.222 2.397 -0.139 1.00 . A A . 10 CYS O 1 1 12 2270 1 1 10 CYS SG S -0.022 1.824 2.990 1.00 . A A . 10 CYS SG 1 1 12 2271 1 1 11 PHE C C 2.263 3.674 -0.264 1.00 . A A . 11 PHE C 1 1 12 2272 1 1 11 PHE CA C 1.206 4.735 -0.555 1.00 . A A . 11 PHE CA 1 1 12 2273 1 1 11 PHE CB C 1.813 6.130 -0.399 1.00 . A A . 11 PHE CB 1 1 12 2274 1 1 11 PHE CD1 C -0.025 7.703 -1.067 1.00 . A A . 11 PHE CD1 1 1 12 2275 1 1 11 PHE CD2 C 1.904 7.556 -2.461 1.00 . A A . 11 PHE CD2 1 1 12 2276 1 1 11 PHE CE1 C -0.574 8.640 -1.921 1.00 . A A . 11 PHE CE1 1 1 12 2277 1 1 11 PHE CE2 C 1.360 8.494 -3.318 1.00 . A A . 11 PHE CE2 1 1 12 2278 1 1 11 PHE CG C 1.219 7.150 -1.328 1.00 . A A . 11 PHE CG 1 1 12 2279 1 1 11 PHE CZ C 0.119 9.038 -3.048 1.00 . A A . 11 PHE CZ 1 1 12 2280 1 1 11 PHE H H -0.265 5.356 0.836 1.00 . A A . 11 PHE H 1 1 12 2281 1 1 11 PHE HA H 0.862 4.613 -1.571 1.00 . A A . 11 PHE HA 1 1 12 2282 1 1 11 PHE HB2 H 1.655 6.473 0.613 1.00 . A A . 11 PHE HB2 1 1 12 2283 1 1 11 PHE HB3 H 2.873 6.079 -0.595 1.00 . A A . 11 PHE HB3 1 1 12 2284 1 1 11 PHE HD1 H -0.568 7.395 -0.186 1.00 . A A . 11 PHE HD1 1 1 12 2285 1 1 11 PHE HD2 H 2.875 7.133 -2.675 1.00 . A A . 11 PHE HD2 1 1 12 2286 1 1 11 PHE HE1 H -1.544 9.064 -1.707 1.00 . A A . 11 PHE HE1 1 1 12 2287 1 1 11 PHE HE2 H 1.905 8.803 -4.199 1.00 . A A . 11 PHE HE2 1 1 12 2288 1 1 11 PHE HZ H -0.308 9.770 -3.716 1.00 . A A . 11 PHE HZ 1 1 12 2289 1 1 11 PHE N N 0.057 4.580 0.328 1.00 . A A . 11 PHE N 1 1 12 2290 1 1 11 PHE O O 2.343 3.125 0.835 1.00 . A A . 11 PHE O 1 1 12 2291 1 1 12 PRO C C 5.287 2.841 -0.231 1.00 . A A . 12 PRO C 1 1 12 2292 1 1 12 PRO CA C 4.163 2.378 -1.151 1.00 . A A . 12 PRO CA 1 1 12 2293 1 1 12 PRO CB C 4.673 2.227 -2.586 1.00 . A A . 12 PRO CB 1 1 12 2294 1 1 12 PRO CD C 3.059 3.990 -2.611 1.00 . A A . 12 PRO CD 1 1 12 2295 1 1 12 PRO CG C 4.340 3.520 -3.245 1.00 . A A . 12 PRO CG 1 1 12 2296 1 1 12 PRO HA H 3.781 1.430 -0.802 1.00 . A A . 12 PRO HA 1 1 12 2297 1 1 12 PRO HB2 H 5.740 2.052 -2.574 1.00 . A A . 12 PRO HB2 1 1 12 2298 1 1 12 PRO HB3 H 4.173 1.400 -3.065 1.00 . A A . 12 PRO HB3 1 1 12 2299 1 1 12 PRO HD2 H 3.045 5.067 -2.540 1.00 . A A . 12 PRO HD2 1 1 12 2300 1 1 12 PRO HD3 H 2.208 3.636 -3.174 1.00 . A A . 12 PRO HD3 1 1 12 2301 1 1 12 PRO HG2 H 5.128 4.236 -3.070 1.00 . A A . 12 PRO HG2 1 1 12 2302 1 1 12 PRO HG3 H 4.198 3.367 -4.304 1.00 . A A . 12 PRO HG3 1 1 12 2303 1 1 12 PRO N N 3.095 3.375 -1.273 1.00 . A A . 12 PRO N 1 1 12 2304 1 1 12 PRO O O 5.563 4.037 -0.126 1.00 . A A . 12 PRO O 1 1 12 2305 1 1 13 ASP C C 8.054 1.070 1.366 1.00 . A A . 13 ASP C 1 1 12 2306 1 1 13 ASP CA C 7.029 2.199 1.343 1.00 . A A . 13 ASP CA 1 1 12 2307 1 1 13 ASP CB C 6.492 2.447 2.754 1.00 . A A . 13 ASP CB 1 1 12 2308 1 1 13 ASP CG C 5.412 1.458 3.145 1.00 . A A . 13 ASP CG 1 1 12 2309 1 1 13 ASP H H 5.667 0.953 0.306 1.00 . A A . 13 ASP H 1 1 12 2310 1 1 13 ASP HA H 7.510 3.099 0.988 1.00 . A A . 13 ASP HA 1 1 12 2311 1 1 13 ASP HB2 H 7.306 2.361 3.461 1.00 . A A . 13 ASP HB2 1 1 12 2312 1 1 13 ASP HB3 H 6.080 3.444 2.806 1.00 . A A . 13 ASP HB3 1 1 12 2313 1 1 13 ASP N N 5.932 1.889 0.433 1.00 . A A . 13 ASP N 1 1 12 2314 1 1 13 ASP O O 8.144 0.320 2.338 1.00 . A A . 13 ASP O 1 1 12 2315 1 1 13 ASP OD1 O 5.473 0.300 2.682 1.00 . A A . 13 ASP OD1 1 1 12 2316 1 1 13 ASP OD2 O 4.507 1.842 3.915 1.00 . A A . 13 ASP OD2 1 1 13 2317 1 1 1 GLY C C 8.544 -0.555 -1.074 1.00 . A A . 1 GLY C 1 1 13 2318 1 1 1 GLY CA C 9.597 0.186 -0.274 1.00 . A A . 1 GLY CA 1 1 13 2319 1 1 1 GLY H1 H 9.604 1.623 1.281 1.00 . A A . 1 GLY H1 1 1 13 2320 1 1 1 GLY HA2 H 10.216 0.754 -0.954 1.00 . A A . 1 GLY HA2 1 1 13 2321 1 1 1 GLY HA3 H 10.215 -0.535 0.241 1.00 . A A . 1 GLY HA3 1 1 13 2322 1 1 1 GLY N N 9.019 1.091 0.701 1.00 . A A . 1 GLY N 1 1 13 2323 1 1 1 GLY O O 8.239 -0.184 -2.208 1.00 . A A . 1 GLY O 1 1 13 2324 1 1 2 ARG C C 5.568 -1.878 -0.825 1.00 . A A . 2 ARG C 1 1 13 2325 1 1 2 ARG CA C 6.964 -2.406 -1.148 1.00 . A A . 2 ARG CA 1 1 13 2326 1 1 2 ARG CB C 7.076 -3.871 -0.727 1.00 . A A . 2 ARG CB 1 1 13 2327 1 1 2 ARG CD C 7.590 -5.175 -2.814 1.00 . A A . 2 ARG CD 1 1 13 2328 1 1 2 ARG CG C 8.134 -4.646 -1.496 1.00 . A A . 2 ARG CG 1 1 13 2329 1 1 2 ARG CZ C 9.016 -7.089 -3.401 1.00 . A A . 2 ARG CZ 1 1 13 2330 1 1 2 ARG H H 8.272 -1.854 0.423 1.00 . A A . 2 ARG H 1 1 13 2331 1 1 2 ARG HA H 7.126 -2.332 -2.213 1.00 . A A . 2 ARG HA 1 1 13 2332 1 1 2 ARG HB2 H 7.323 -3.915 0.323 1.00 . A A . 2 ARG HB2 1 1 13 2333 1 1 2 ARG HB3 H 6.122 -4.353 -0.885 1.00 . A A . 2 ARG HB3 1 1 13 2334 1 1 2 ARG HD2 H 6.800 -5.882 -2.605 1.00 . A A . 2 ARG HD2 1 1 13 2335 1 1 2 ARG HD3 H 7.190 -4.348 -3.380 1.00 . A A . 2 ARG HD3 1 1 13 2336 1 1 2 ARG HE H 9.042 -5.323 -4.326 1.00 . A A . 2 ARG HE 1 1 13 2337 1 1 2 ARG HG2 H 8.968 -3.992 -1.700 1.00 . A A . 2 ARG HG2 1 1 13 2338 1 1 2 ARG HG3 H 8.465 -5.479 -0.893 1.00 . A A . 2 ARG HG3 1 1 13 2339 1 1 2 ARG HH11 H 7.752 -7.412 -1.858 1.00 . A A . 2 ARG HH11 1 1 13 2340 1 1 2 ARG HH12 H 8.763 -8.754 -2.282 1.00 . A A . 2 ARG HH12 1 1 13 2341 1 1 2 ARG HH21 H 10.379 -7.082 -4.894 1.00 . A A . 2 ARG HH21 1 1 13 2342 1 1 2 ARG HH22 H 10.257 -8.565 -4.009 1.00 . A A . 2 ARG HH22 1 1 13 2343 1 1 2 ARG N N 7.987 -1.608 -0.482 1.00 . A A . 2 ARG N 1 1 13 2344 1 1 2 ARG NE N 8.622 -5.837 -3.606 1.00 . A A . 2 ARG NE 1 1 13 2345 1 1 2 ARG NH1 N 8.465 -7.811 -2.434 1.00 . A A . 2 ARG NH1 1 1 13 2346 1 1 2 ARG NH2 N 9.961 -7.622 -4.164 1.00 . A A . 2 ARG NH2 1 1 13 2347 1 1 2 ARG O O 5.355 -1.182 0.168 1.00 . A A . 2 ARG O 1 1 13 2348 1 1 3 PRO C C 2.530 -2.470 -0.328 1.00 . A A . 3 PRO C 1 1 13 2349 1 1 3 PRO CA C 3.204 -1.787 -1.513 1.00 . A A . 3 PRO CA 1 1 13 2350 1 1 3 PRO CB C 2.538 -2.209 -2.824 1.00 . A A . 3 PRO CB 1 1 13 2351 1 1 3 PRO CD C 4.778 -3.042 -2.890 1.00 . A A . 3 PRO CD 1 1 13 2352 1 1 3 PRO CG C 3.370 -3.339 -3.324 1.00 . A A . 3 PRO CG 1 1 13 2353 1 1 3 PRO HA H 3.130 -0.715 -1.398 1.00 . A A . 3 PRO HA 1 1 13 2354 1 1 3 PRO HB2 H 1.521 -2.521 -2.629 1.00 . A A . 3 PRO HB2 1 1 13 2355 1 1 3 PRO HB3 H 2.540 -1.382 -3.517 1.00 . A A . 3 PRO HB3 1 1 13 2356 1 1 3 PRO HD2 H 5.302 -3.956 -2.654 1.00 . A A . 3 PRO HD2 1 1 13 2357 1 1 3 PRO HD3 H 5.300 -2.491 -3.658 1.00 . A A . 3 PRO HD3 1 1 13 2358 1 1 3 PRO HG2 H 3.031 -4.267 -2.886 1.00 . A A . 3 PRO HG2 1 1 13 2359 1 1 3 PRO HG3 H 3.312 -3.389 -4.401 1.00 . A A . 3 PRO HG3 1 1 13 2360 1 1 3 PRO N N 4.595 -2.216 -1.684 1.00 . A A . 3 PRO N 1 1 13 2361 1 1 3 PRO O O 3.013 -3.485 0.175 1.00 . A A . 3 PRO O 1 1 13 2362 1 1 4 CYS C C -0.706 -2.953 0.798 1.00 . A A . 4 CYS C 1 1 13 2363 1 1 4 CYS CA C 0.668 -2.461 1.242 1.00 . A A . 4 CYS CA 1 1 13 2364 1 1 4 CYS CB C 0.515 -1.411 2.344 1.00 . A A . 4 CYS CB 1 1 13 2365 1 1 4 CYS H H 1.074 -1.098 -0.327 1.00 . A A . 4 CYS H 1 1 13 2366 1 1 4 CYS HA H 1.229 -3.298 1.628 1.00 . A A . 4 CYS HA 1 1 13 2367 1 1 4 CYS HB2 H 0.169 -1.895 3.245 1.00 . A A . 4 CYS HB2 1 1 13 2368 1 1 4 CYS HB3 H 1.476 -0.956 2.533 1.00 . A A . 4 CYS HB3 1 1 13 2369 1 1 4 CYS N N 1.409 -1.906 0.115 1.00 . A A . 4 CYS N 1 1 13 2370 1 1 4 CYS O O -1.351 -2.341 -0.055 1.00 . A A . 4 CYS O 1 1 13 2371 1 1 4 CYS SG S -0.661 -0.079 1.945 1.00 . A A . 4 CYS SG 1 1 13 2372 1 1 5 TYR C C -3.544 -4.061 1.934 1.00 . A A . 5 TYR C 1 1 13 2373 1 1 5 TYR CA C -2.445 -4.636 1.046 1.00 . A A . 5 TYR CA 1 1 13 2374 1 1 5 TYR CB C -2.403 -6.159 1.190 1.00 . A A . 5 TYR CB 1 1 13 2375 1 1 5 TYR CD1 C -1.405 -7.037 -0.956 1.00 . A A . 5 TYR CD1 1 1 13 2376 1 1 5 TYR CD2 C -0.108 -7.200 1.037 1.00 . A A . 5 TYR CD2 1 1 13 2377 1 1 5 TYR CE1 C -0.385 -7.632 -1.674 1.00 . A A . 5 TYR CE1 1 1 13 2378 1 1 5 TYR CE2 C 0.916 -7.795 0.327 1.00 . A A . 5 TYR CE2 1 1 13 2379 1 1 5 TYR CG C -1.285 -6.810 0.409 1.00 . A A . 5 TYR CG 1 1 13 2380 1 1 5 TYR CZ C 0.773 -8.010 -1.028 1.00 . A A . 5 TYR CZ 1 1 13 2381 1 1 5 TYR H H -0.589 -4.503 2.054 1.00 . A A . 5 TYR H 1 1 13 2382 1 1 5 TYR HA H -2.663 -4.388 0.017 1.00 . A A . 5 TYR HA 1 1 13 2383 1 1 5 TYR HB2 H -2.272 -6.412 2.231 1.00 . A A . 5 TYR HB2 1 1 13 2384 1 1 5 TYR HB3 H -3.337 -6.572 0.839 1.00 . A A . 5 TYR HB3 1 1 13 2385 1 1 5 TYR HD1 H -2.313 -6.741 -1.460 1.00 . A A . 5 TYR HD1 1 1 13 2386 1 1 5 TYR HD2 H 0.000 -7.032 2.099 1.00 . A A . 5 TYR HD2 1 1 13 2387 1 1 5 TYR HE1 H -0.497 -7.801 -2.736 1.00 . A A . 5 TYR HE1 1 1 13 2388 1 1 5 TYR HE2 H 1.824 -8.091 0.834 1.00 . A A . 5 TYR HE2 1 1 13 2389 1 1 5 TYR HH H 2.439 -8.964 -1.127 1.00 . A A . 5 TYR HH 1 1 13 2390 1 1 5 TYR N N -1.148 -4.061 1.382 1.00 . A A . 5 TYR N 1 1 13 2391 1 1 5 TYR O O -3.632 -4.380 3.120 1.00 . A A . 5 TYR O 1 1 13 2392 1 1 5 TYR OH O 1.792 -8.603 -1.738 1.00 . A A . 5 TYR OH 1 1 13 2393 1 1 6 THR C C -6.525 -2.021 1.139 1.00 . A A . 6 THR C 1 1 13 2394 1 1 6 THR CA C -5.475 -2.587 2.088 1.00 . A A . 6 THR CA 1 1 13 2395 1 1 6 THR CB C -4.965 -1.458 3.004 1.00 . A A . 6 THR CB 1 1 13 2396 1 1 6 THR CG2 C -4.646 -1.991 4.392 1.00 . A A . 6 THR CG2 1 1 13 2397 1 1 6 THR H H -4.260 -2.994 0.403 1.00 . A A . 6 THR H 1 1 13 2398 1 1 6 THR HA H -5.934 -3.344 2.706 1.00 . A A . 6 THR HA 1 1 13 2399 1 1 6 THR HB H -5.738 -0.709 3.089 1.00 . A A . 6 THR HB 1 1 13 2400 1 1 6 THR HG1 H -4.054 -0.168 1.822 1.00 . A A . 6 THR HG1 1 1 13 2401 1 1 6 THR HG21 H -5.117 -1.364 5.134 1.00 . A A . 6 THR HG21 1 1 13 2402 1 1 6 THR HG22 H -3.577 -1.986 4.542 1.00 . A A . 6 THR HG22 1 1 13 2403 1 1 6 THR HG23 H -5.019 -2.999 4.485 1.00 . A A . 6 THR HG23 1 1 13 2404 1 1 6 THR N N -4.382 -3.209 1.351 1.00 . A A . 6 THR N 1 1 13 2405 1 1 6 THR O O -6.298 -1.922 -0.067 1.00 . A A . 6 THR O 1 1 13 2406 1 1 6 THR OG1 O -3.794 -0.859 2.436 1.00 . A A . 6 THR OG1 1 1 13 2407 1 1 7 LEU C C -8.432 0.328 0.440 1.00 . A A . 7 LEU C 1 1 13 2408 1 1 7 LEU CA C -8.761 -1.091 0.893 1.00 . A A . 7 LEU CA 1 1 13 2409 1 1 7 LEU CB C -10.064 -1.093 1.696 1.00 . A A . 7 LEU CB 1 1 13 2410 1 1 7 LEU CD1 C -11.822 -1.255 -0.083 1.00 . A A . 7 LEU CD1 1 1 13 2411 1 1 7 LEU CD2 C -12.332 -0.096 2.073 1.00 . A A . 7 LEU CD2 1 1 13 2412 1 1 7 LEU CG C -11.257 -0.399 1.039 1.00 . A A . 7 LEU CG 1 1 13 2413 1 1 7 LEU H H -7.798 -1.752 2.657 1.00 . A A . 7 LEU H 1 1 13 2414 1 1 7 LEU HA H -8.885 -1.714 0.020 1.00 . A A . 7 LEU HA 1 1 13 2415 1 1 7 LEU HB2 H -10.338 -2.121 1.878 1.00 . A A . 7 LEU HB2 1 1 13 2416 1 1 7 LEU HB3 H -9.871 -0.602 2.639 1.00 . A A . 7 LEU HB3 1 1 13 2417 1 1 7 LEU HD11 H -12.888 -1.099 -0.155 1.00 . A A . 7 LEU HD11 1 1 13 2418 1 1 7 LEU HD12 H -11.624 -2.297 0.124 1.00 . A A . 7 LEU HD12 1 1 13 2419 1 1 7 LEU HD13 H -11.353 -0.980 -1.017 1.00 . A A . 7 LEU HD13 1 1 13 2420 1 1 7 LEU HD21 H -12.968 -0.960 2.194 1.00 . A A . 7 LEU HD21 1 1 13 2421 1 1 7 LEU HD22 H -12.926 0.743 1.741 1.00 . A A . 7 LEU HD22 1 1 13 2422 1 1 7 LEU HD23 H -11.866 0.143 3.018 1.00 . A A . 7 LEU HD23 1 1 13 2423 1 1 7 LEU HG H -10.931 0.538 0.611 1.00 . A A . 7 LEU HG 1 1 13 2424 1 1 7 LEU N N -7.676 -1.649 1.690 1.00 . A A . 7 LEU N 1 1 13 2425 1 1 7 LEU O O -8.787 0.735 -0.665 1.00 . A A . 7 LEU O 1 1 13 2426 1 1 8 GLN C C -6.151 2.481 0.072 1.00 . A A . 8 GLN C 1 1 13 2427 1 1 8 GLN CA C -7.369 2.447 0.990 1.00 . A A . 8 GLN CA 1 1 13 2428 1 1 8 GLN CB C -7.075 3.223 2.276 1.00 . A A . 8 GLN CB 1 1 13 2429 1 1 8 GLN CD C -8.047 3.925 4.498 1.00 . A A . 8 GLN CD 1 1 13 2430 1 1 8 GLN CG C -8.324 3.634 3.038 1.00 . A A . 8 GLN CG 1 1 13 2431 1 1 8 GLN H H -7.493 0.693 2.168 1.00 . A A . 8 GLN H 1 1 13 2432 1 1 8 GLN HA H -8.200 2.913 0.482 1.00 . A A . 8 GLN HA 1 1 13 2433 1 1 8 GLN HB2 H -6.471 2.605 2.923 1.00 . A A . 8 GLN HB2 1 1 13 2434 1 1 8 GLN HB3 H -6.522 4.116 2.025 1.00 . A A . 8 GLN HB3 1 1 13 2435 1 1 8 GLN HE21 H -9.300 5.469 4.454 1.00 . A A . 8 GLN HE21 1 1 13 2436 1 1 8 GLN HE22 H -8.529 5.170 5.971 1.00 . A A . 8 GLN HE22 1 1 13 2437 1 1 8 GLN HG2 H -8.733 4.523 2.581 1.00 . A A . 8 GLN HG2 1 1 13 2438 1 1 8 GLN HG3 H -9.048 2.834 2.976 1.00 . A A . 8 GLN HG3 1 1 13 2439 1 1 8 GLN N N -7.748 1.074 1.302 1.00 . A A . 8 GLN N 1 1 13 2440 1 1 8 GLN NE2 N -8.689 4.959 5.029 1.00 . A A . 8 GLN NE2 1 1 13 2441 1 1 8 GLN O O -5.940 3.447 -0.660 1.00 . A A . 8 GLN O 1 1 13 2442 1 1 8 GLN OE1 O -7.264 3.228 5.146 1.00 . A A . 8 GLN OE1 1 1 13 2443 1 1 9 SER C C -3.147 2.408 -0.322 1.00 . A A . 9 SER C 1 1 13 2444 1 1 9 SER CA C -4.153 1.328 -0.707 1.00 . A A . 9 SER CA 1 1 13 2445 1 1 9 SER CB C -4.517 1.458 -2.188 1.00 . A A . 9 SER CB 1 1 13 2446 1 1 9 SER H H -5.575 0.679 0.722 1.00 . A A . 9 SER H 1 1 13 2447 1 1 9 SER HA H -3.708 0.359 -0.537 1.00 . A A . 9 SER HA 1 1 13 2448 1 1 9 SER HB2 H -5.452 0.954 -2.372 1.00 . A A . 9 SER HB2 1 1 13 2449 1 1 9 SER HB3 H -4.614 2.504 -2.441 1.00 . A A . 9 SER HB3 1 1 13 2450 1 1 9 SER HG H -2.840 1.535 -3.198 1.00 . A A . 9 SER HG 1 1 13 2451 1 1 9 SER N N -5.353 1.419 0.117 1.00 . A A . 9 SER N 1 1 13 2452 1 1 9 SER O O -2.883 3.332 -1.092 1.00 . A A . 9 SER O 1 1 13 2453 1 1 9 SER OG O -3.517 0.881 -3.010 1.00 . A A . 9 SER OG 1 1 13 2454 1 1 10 CYS C C -0.358 3.246 0.495 1.00 . A A . 10 CYS C 1 1 13 2455 1 1 10 CYS CA C -1.610 3.248 1.368 1.00 . A A . 10 CYS CA 1 1 13 2456 1 1 10 CYS CB C -1.234 2.933 2.818 1.00 . A A . 10 CYS CB 1 1 13 2457 1 1 10 CYS H H -2.837 1.527 1.447 1.00 . A A . 10 CYS H 1 1 13 2458 1 1 10 CYS HA H -2.060 4.229 1.327 1.00 . A A . 10 CYS HA 1 1 13 2459 1 1 10 CYS HB2 H -0.788 3.810 3.264 1.00 . A A . 10 CYS HB2 1 1 13 2460 1 1 10 CYS HB3 H -2.128 2.672 3.364 1.00 . A A . 10 CYS HB3 1 1 13 2461 1 1 10 CYS N N -2.587 2.285 0.877 1.00 . A A . 10 CYS N 1 1 13 2462 1 1 10 CYS O O -0.017 2.234 -0.118 1.00 . A A . 10 CYS O 1 1 13 2463 1 1 10 CYS SG S -0.051 1.560 2.997 1.00 . A A . 10 CYS SG 1 1 13 2464 1 1 11 PHE C C 2.523 3.397 -0.032 1.00 . A A . 11 PHE C 1 1 13 2465 1 1 11 PHE CA C 1.537 4.517 -0.354 1.00 . A A . 11 PHE CA 1 1 13 2466 1 1 11 PHE CB C 2.193 5.876 -0.105 1.00 . A A . 11 PHE CB 1 1 13 2467 1 1 11 PHE CD1 C 0.367 7.482 -0.722 1.00 . A A . 11 PHE CD1 1 1 13 2468 1 1 11 PHE CD2 C 2.377 7.506 -2.004 1.00 . A A . 11 PHE CD2 1 1 13 2469 1 1 11 PHE CE1 C -0.150 8.495 -1.507 1.00 . A A . 11 PHE CE1 1 1 13 2470 1 1 11 PHE CE2 C 1.865 8.519 -2.793 1.00 . A A . 11 PHE CE2 1 1 13 2471 1 1 11 PHE CG C 1.635 6.976 -0.961 1.00 . A A . 11 PHE CG 1 1 13 2472 1 1 11 PHE CZ C 0.600 9.014 -2.544 1.00 . A A . 11 PHE CZ 1 1 13 2473 1 1 11 PHE H H 0.002 5.158 0.955 1.00 . A A . 11 PHE H 1 1 13 2474 1 1 11 PHE HA H 1.258 4.445 -1.394 1.00 . A A . 11 PHE HA 1 1 13 2475 1 1 11 PHE HB2 H 2.049 6.154 0.928 1.00 . A A . 11 PHE HB2 1 1 13 2476 1 1 11 PHE HB3 H 3.251 5.799 -0.309 1.00 . A A . 11 PHE HB3 1 1 13 2477 1 1 11 PHE HD1 H -0.221 7.077 0.090 1.00 . A A . 11 PHE HD1 1 1 13 2478 1 1 11 PHE HD2 H 3.367 7.119 -2.200 1.00 . A A . 11 PHE HD2 1 1 13 2479 1 1 11 PHE HE1 H -1.140 8.879 -1.310 1.00 . A A . 11 PHE HE1 1 1 13 2480 1 1 11 PHE HE2 H 2.454 8.923 -3.603 1.00 . A A . 11 PHE HE2 1 1 13 2481 1 1 11 PHE HZ H 0.198 9.806 -3.158 1.00 . A A . 11 PHE HZ 1 1 13 2482 1 1 11 PHE N N 0.324 4.386 0.444 1.00 . A A . 11 PHE N 1 1 13 2483 1 1 11 PHE O O 2.499 2.806 1.048 1.00 . A A . 11 PHE O 1 1 13 2484 1 1 12 PRO C C 5.497 2.424 0.180 1.00 . A A . 12 PRO C 1 1 13 2485 1 1 12 PRO CA C 4.422 2.047 -0.834 1.00 . A A . 12 PRO CA 1 1 13 2486 1 1 12 PRO CB C 5.028 1.925 -2.234 1.00 . A A . 12 PRO CB 1 1 13 2487 1 1 12 PRO CD C 3.498 3.761 -2.302 1.00 . A A . 12 PRO CD 1 1 13 2488 1 1 12 PRO CG C 4.799 3.255 -2.863 1.00 . A A . 12 PRO CG 1 1 13 2489 1 1 12 PRO HA H 3.975 1.105 -0.549 1.00 . A A . 12 PRO HA 1 1 13 2490 1 1 12 PRO HB2 H 6.082 1.701 -2.155 1.00 . A A . 12 PRO HB2 1 1 13 2491 1 1 12 PRO HB3 H 4.527 1.139 -2.779 1.00 . A A . 12 PRO HB3 1 1 13 2492 1 1 12 PRO HD2 H 3.526 4.834 -2.191 1.00 . A A . 12 PRO HD2 1 1 13 2493 1 1 12 PRO HD3 H 2.674 3.467 -2.937 1.00 . A A . 12 PRO HD3 1 1 13 2494 1 1 12 PRO HG2 H 5.603 3.927 -2.606 1.00 . A A . 12 PRO HG2 1 1 13 2495 1 1 12 PRO HG3 H 4.727 3.147 -3.935 1.00 . A A . 12 PRO HG3 1 1 13 2496 1 1 12 PRO N N 3.411 3.097 -0.990 1.00 . A A . 12 PRO N 1 1 13 2497 1 1 12 PRO O O 5.909 3.582 0.261 1.00 . A A . 12 PRO O 1 1 13 2498 1 1 13 ASP C C 8.186 0.775 1.715 1.00 . A A . 13 ASP C 1 1 13 2499 1 1 13 ASP CA C 6.975 1.670 1.961 1.00 . A A . 13 ASP CA 1 1 13 2500 1 1 13 ASP CB C 6.413 1.415 3.360 1.00 . A A . 13 ASP CB 1 1 13 2501 1 1 13 ASP CG C 7.109 2.243 4.423 1.00 . A A . 13 ASP CG 1 1 13 2502 1 1 13 ASP H H 5.579 0.539 0.841 1.00 . A A . 13 ASP H 1 1 13 2503 1 1 13 ASP HA H 7.285 2.702 1.890 1.00 . A A . 13 ASP HA 1 1 13 2504 1 1 13 ASP HB2 H 5.361 1.662 3.369 1.00 . A A . 13 ASP HB2 1 1 13 2505 1 1 13 ASP HB3 H 6.535 0.370 3.606 1.00 . A A . 13 ASP HB3 1 1 13 2506 1 1 13 ASP N N 5.946 1.441 0.953 1.00 . A A . 13 ASP N 1 1 13 2507 1 1 13 ASP O O 8.235 -0.362 2.184 1.00 . A A . 13 ASP O 1 1 13 2508 1 1 13 ASP OD1 O 8.226 2.734 4.156 1.00 . A A . 13 ASP OD1 1 1 13 2509 1 1 13 ASP OD2 O 6.534 2.400 5.520 1.00 . A A . 13 ASP OD2 1 1 14 2510 1 1 1 GLY C C 9.069 -1.128 -0.599 1.00 . A A . 1 GLY C 1 1 14 2511 1 1 1 GLY CA C 9.864 0.122 -0.282 1.00 . A A . 1 GLY CA 1 1 14 2512 1 1 1 GLY H1 H 9.355 2.120 0.202 1.00 . A A . 1 GLY H1 1 1 14 2513 1 1 1 GLY HA2 H 10.356 0.461 -1.182 1.00 . A A . 1 GLY HA2 1 1 14 2514 1 1 1 GLY HA3 H 10.613 -0.119 0.458 1.00 . A A . 1 GLY HA3 1 1 14 2515 1 1 1 GLY N N 9.031 1.195 0.228 1.00 . A A . 1 GLY N 1 1 14 2516 1 1 1 GLY O O 9.062 -1.596 -1.738 1.00 . A A . 1 GLY O 1 1 14 2517 1 1 2 ARG C C 6.193 -2.532 -0.253 1.00 . A A . 2 ARG C 1 1 14 2518 1 1 2 ARG CA C 7.597 -2.878 0.235 1.00 . A A . 2 ARG CA 1 1 14 2519 1 1 2 ARG CB C 7.515 -3.657 1.549 1.00 . A A . 2 ARG CB 1 1 14 2520 1 1 2 ARG CD C 8.212 -5.912 2.412 1.00 . A A . 2 ARG CD 1 1 14 2521 1 1 2 ARG CG C 8.673 -4.618 1.760 1.00 . A A . 2 ARG CG 1 1 14 2522 1 1 2 ARG CZ C 8.652 -5.577 4.808 1.00 . A A . 2 ARG CZ 1 1 14 2523 1 1 2 ARG H H 8.441 -1.253 1.295 1.00 . A A . 2 ARG H 1 1 14 2524 1 1 2 ARG HA H 8.082 -3.493 -0.508 1.00 . A A . 2 ARG HA 1 1 14 2525 1 1 2 ARG HB2 H 7.503 -2.956 2.369 1.00 . A A . 2 ARG HB2 1 1 14 2526 1 1 2 ARG HB3 H 6.598 -4.226 1.558 1.00 . A A . 2 ARG HB3 1 1 14 2527 1 1 2 ARG HD2 H 7.155 -5.836 2.624 1.00 . A A . 2 ARG HD2 1 1 14 2528 1 1 2 ARG HD3 H 8.383 -6.727 1.725 1.00 . A A . 2 ARG HD3 1 1 14 2529 1 1 2 ARG HE H 9.645 -6.847 3.633 1.00 . A A . 2 ARG HE 1 1 14 2530 1 1 2 ARG HG2 H 9.116 -4.850 0.803 1.00 . A A . 2 ARG HG2 1 1 14 2531 1 1 2 ARG HG3 H 9.408 -4.147 2.395 1.00 . A A . 2 ARG HG3 1 1 14 2532 1 1 2 ARG HH11 H 7.160 -4.444 4.052 1.00 . A A . 2 ARG HH11 1 1 14 2533 1 1 2 ARG HH12 H 7.481 -4.218 5.739 1.00 . A A . 2 ARG HH12 1 1 14 2534 1 1 2 ARG HH21 H 10.077 -6.558 5.854 1.00 . A A . 2 ARG HH21 1 1 14 2535 1 1 2 ARG HH22 H 9.141 -5.420 6.763 1.00 . A A . 2 ARG HH22 1 1 14 2536 1 1 2 ARG N N 8.397 -1.672 0.411 1.00 . A A . 2 ARG N 1 1 14 2537 1 1 2 ARG NE N 8.925 -6.182 3.657 1.00 . A A . 2 ARG NE 1 1 14 2538 1 1 2 ARG NH1 N 7.685 -4.672 4.871 1.00 . A A . 2 ARG NH1 1 1 14 2539 1 1 2 ARG NH2 N 9.347 -5.877 5.898 1.00 . A A . 2 ARG NH2 1 1 14 2540 1 1 2 ARG O O 5.717 -1.406 -0.105 1.00 . A A . 2 ARG O 1 1 14 2541 1 1 3 PRO C C 3.124 -3.178 -0.260 1.00 . A A . 3 PRO C 1 1 14 2542 1 1 3 PRO CA C 4.154 -3.348 -1.371 1.00 . A A . 3 PRO CA 1 1 14 2543 1 1 3 PRO CB C 3.900 -4.647 -2.141 1.00 . A A . 3 PRO CB 1 1 14 2544 1 1 3 PRO CD C 6.018 -4.890 -1.060 1.00 . A A . 3 PRO CD 1 1 14 2545 1 1 3 PRO CG C 4.797 -5.649 -1.500 1.00 . A A . 3 PRO CG 1 1 14 2546 1 1 3 PRO HA H 4.094 -2.509 -2.048 1.00 . A A . 3 PRO HA 1 1 14 2547 1 1 3 PRO HB2 H 2.860 -4.927 -2.046 1.00 . A A . 3 PRO HB2 1 1 14 2548 1 1 3 PRO HB3 H 4.147 -4.505 -3.183 1.00 . A A . 3 PRO HB3 1 1 14 2549 1 1 3 PRO HD2 H 6.408 -5.303 -0.141 1.00 . A A . 3 PRO HD2 1 1 14 2550 1 1 3 PRO HD3 H 6.772 -4.908 -1.833 1.00 . A A . 3 PRO HD3 1 1 14 2551 1 1 3 PRO HG2 H 4.304 -6.092 -0.649 1.00 . A A . 3 PRO HG2 1 1 14 2552 1 1 3 PRO HG3 H 5.067 -6.410 -2.217 1.00 . A A . 3 PRO HG3 1 1 14 2553 1 1 3 PRO N N 5.513 -3.523 -0.850 1.00 . A A . 3 PRO N 1 1 14 2554 1 1 3 PRO O O 3.069 -3.975 0.676 1.00 . A A . 3 PRO O 1 1 14 2555 1 1 4 CYS C C -0.108 -1.880 -0.008 1.00 . A A . 4 CYS C 1 1 14 2556 1 1 4 CYS CA C 1.280 -1.859 0.626 1.00 . A A . 4 CYS CA 1 1 14 2557 1 1 4 CYS CB C 1.531 -0.501 1.287 1.00 . A A . 4 CYS CB 1 1 14 2558 1 1 4 CYS H H 2.402 -1.533 -1.139 1.00 . A A . 4 CYS H 1 1 14 2559 1 1 4 CYS HA H 1.331 -2.630 1.378 1.00 . A A . 4 CYS HA 1 1 14 2560 1 1 4 CYS HB2 H 2.579 -0.255 1.200 1.00 . A A . 4 CYS HB2 1 1 14 2561 1 1 4 CYS HB3 H 0.947 0.252 0.779 1.00 . A A . 4 CYS HB3 1 1 14 2562 1 1 4 CYS N N 2.309 -2.134 -0.370 1.00 . A A . 4 CYS N 1 1 14 2563 1 1 4 CYS O O -0.484 -0.961 -0.736 1.00 . A A . 4 CYS O 1 1 14 2564 1 1 4 CYS SG S 1.095 -0.444 3.055 1.00 . A A . 4 CYS SG 1 1 14 2565 1 1 5 TYR C C -3.246 -3.133 0.855 1.00 . A A . 5 TYR C 1 1 14 2566 1 1 5 TYR CA C -2.212 -3.075 -0.265 1.00 . A A . 5 TYR CA 1 1 14 2567 1 1 5 TYR CB C -2.306 -4.335 -1.127 1.00 . A A . 5 TYR CB 1 1 14 2568 1 1 5 TYR CD1 C -1.171 -3.399 -3.180 1.00 . A A . 5 TYR CD1 1 1 14 2569 1 1 5 TYR CD2 C -0.371 -5.463 -2.294 1.00 . A A . 5 TYR CD2 1 1 14 2570 1 1 5 TYR CE1 C -0.221 -3.454 -4.181 1.00 . A A . 5 TYR CE1 1 1 14 2571 1 1 5 TYR CE2 C 0.584 -5.525 -3.291 1.00 . A A . 5 TYR CE2 1 1 14 2572 1 1 5 TYR CG C -1.263 -4.400 -2.221 1.00 . A A . 5 TYR CG 1 1 14 2573 1 1 5 TYR CZ C 0.654 -4.520 -4.232 1.00 . A A . 5 TYR CZ 1 1 14 2574 1 1 5 TYR H H -0.511 -3.633 0.865 1.00 . A A . 5 TYR H 1 1 14 2575 1 1 5 TYR HA H -2.413 -2.213 -0.882 1.00 . A A . 5 TYR HA 1 1 14 2576 1 1 5 TYR HB2 H -2.181 -5.203 -0.499 1.00 . A A . 5 TYR HB2 1 1 14 2577 1 1 5 TYR HB3 H -3.280 -4.371 -1.594 1.00 . A A . 5 TYR HB3 1 1 14 2578 1 1 5 TYR HD1 H -1.859 -2.566 -3.137 1.00 . A A . 5 TYR HD1 1 1 14 2579 1 1 5 TYR HD2 H -0.430 -6.249 -1.556 1.00 . A A . 5 TYR HD2 1 1 14 2580 1 1 5 TYR HE1 H -0.165 -2.667 -4.918 1.00 . A A . 5 TYR HE1 1 1 14 2581 1 1 5 TYR HE2 H 1.269 -6.359 -3.332 1.00 . A A . 5 TYR HE2 1 1 14 2582 1 1 5 TYR HH H 1.666 -3.724 -5.660 1.00 . A A . 5 TYR HH 1 1 14 2583 1 1 5 TYR N N -0.866 -2.933 0.278 1.00 . A A . 5 TYR N 1 1 14 2584 1 1 5 TYR O O -3.196 -4.007 1.720 1.00 . A A . 5 TYR O 1 1 14 2585 1 1 5 TYR OH O 1.603 -4.578 -5.228 1.00 . A A . 5 TYR OH 1 1 14 2586 1 1 6 THR C C -6.568 -1.721 1.229 1.00 . A A . 6 THR C 1 1 14 2587 1 1 6 THR CA C -5.235 -2.136 1.841 1.00 . A A . 6 THR CA 1 1 14 2588 1 1 6 THR CB C -4.874 -1.153 2.970 1.00 . A A . 6 THR CB 1 1 14 2589 1 1 6 THR CG2 C -3.622 -1.610 3.705 1.00 . A A . 6 THR CG2 1 1 14 2590 1 1 6 THR H H -4.175 -1.525 0.115 1.00 . A A . 6 THR H 1 1 14 2591 1 1 6 THR HA H -5.340 -3.122 2.271 1.00 . A A . 6 THR HA 1 1 14 2592 1 1 6 THR HB H -5.693 -1.118 3.674 1.00 . A A . 6 THR HB 1 1 14 2593 1 1 6 THR HG1 H -4.619 0.795 3.147 1.00 . A A . 6 THR HG1 1 1 14 2594 1 1 6 THR HG21 H -3.433 -0.950 4.539 1.00 . A A . 6 THR HG21 1 1 14 2595 1 1 6 THR HG22 H -2.780 -1.585 3.029 1.00 . A A . 6 THR HG22 1 1 14 2596 1 1 6 THR HG23 H -3.764 -2.616 4.066 1.00 . A A . 6 THR HG23 1 1 14 2597 1 1 6 THR N N -4.188 -2.194 0.830 1.00 . A A . 6 THR N 1 1 14 2598 1 1 6 THR O O -6.677 -1.543 0.015 1.00 . A A . 6 THR O 1 1 14 2599 1 1 6 THR OG1 O -4.665 0.157 2.431 1.00 . A A . 6 THR OG1 1 1 14 2600 1 1 7 LEU C C -8.933 0.307 1.234 1.00 . A A . 7 LEU C 1 1 14 2601 1 1 7 LEU CA C -8.908 -1.169 1.618 1.00 . A A . 7 LEU CA 1 1 14 2602 1 1 7 LEU CB C -9.948 -1.443 2.706 1.00 . A A . 7 LEU CB 1 1 14 2603 1 1 7 LEU CD1 C -11.608 -2.777 1.384 1.00 . A A . 7 LEU CD1 1 1 14 2604 1 1 7 LEU CD2 C -9.711 -3.933 2.535 1.00 . A A . 7 LEU CD2 1 1 14 2605 1 1 7 LEU CG C -10.694 -2.774 2.600 1.00 . A A . 7 LEU CG 1 1 14 2606 1 1 7 LEU H H -7.433 -1.722 3.032 1.00 . A A . 7 LEU H 1 1 14 2607 1 1 7 LEU HA H -9.147 -1.759 0.745 1.00 . A A . 7 LEU HA 1 1 14 2608 1 1 7 LEU HB2 H -9.442 -1.423 3.659 1.00 . A A . 7 LEU HB2 1 1 14 2609 1 1 7 LEU HB3 H -10.678 -0.648 2.671 1.00 . A A . 7 LEU HB3 1 1 14 2610 1 1 7 LEU HD11 H -11.256 -2.051 0.667 1.00 . A A . 7 LEU HD11 1 1 14 2611 1 1 7 LEU HD12 H -12.613 -2.524 1.688 1.00 . A A . 7 LEU HD12 1 1 14 2612 1 1 7 LEU HD13 H -11.604 -3.759 0.935 1.00 . A A . 7 LEU HD13 1 1 14 2613 1 1 7 LEU HD21 H -9.100 -3.836 1.650 1.00 . A A . 7 LEU HD21 1 1 14 2614 1 1 7 LEU HD22 H -10.257 -4.865 2.494 1.00 . A A . 7 LEU HD22 1 1 14 2615 1 1 7 LEU HD23 H -9.082 -3.921 3.411 1.00 . A A . 7 LEU HD23 1 1 14 2616 1 1 7 LEU HG H -11.310 -2.904 3.479 1.00 . A A . 7 LEU HG 1 1 14 2617 1 1 7 LEU N N -7.580 -1.566 2.075 1.00 . A A . 7 LEU N 1 1 14 2618 1 1 7 LEU O O -9.622 0.702 0.295 1.00 . A A . 7 LEU O 1 1 14 2619 1 1 8 GLN C C -6.937 2.880 0.785 1.00 . A A . 8 GLN C 1 1 14 2620 1 1 8 GLN CA C -8.110 2.549 1.703 1.00 . A A . 8 GLN CA 1 1 14 2621 1 1 8 GLN CB C -7.981 3.326 3.014 1.00 . A A . 8 GLN CB 1 1 14 2622 1 1 8 GLN CD C -10.460 3.493 3.476 1.00 . A A . 8 GLN CD 1 1 14 2623 1 1 8 GLN CG C -9.107 3.050 3.997 1.00 . A A . 8 GLN CG 1 1 14 2624 1 1 8 GLN H H -7.648 0.742 2.703 1.00 . A A . 8 GLN H 1 1 14 2625 1 1 8 GLN HA H -9.027 2.837 1.212 1.00 . A A . 8 GLN HA 1 1 14 2626 1 1 8 GLN HB2 H -7.047 3.061 3.485 1.00 . A A . 8 GLN HB2 1 1 14 2627 1 1 8 GLN HB3 H -7.977 4.383 2.793 1.00 . A A . 8 GLN HB3 1 1 14 2628 1 1 8 GLN HE21 H -9.715 5.268 2.980 1.00 . A A . 8 GLN HE21 1 1 14 2629 1 1 8 GLN HE22 H -11.391 5.035 2.636 1.00 . A A . 8 GLN HE22 1 1 14 2630 1 1 8 GLN HG2 H -9.145 1.989 4.193 1.00 . A A . 8 GLN HG2 1 1 14 2631 1 1 8 GLN HG3 H -8.902 3.577 4.917 1.00 . A A . 8 GLN HG3 1 1 14 2632 1 1 8 GLN N N -8.175 1.116 1.967 1.00 . A A . 8 GLN N 1 1 14 2633 1 1 8 GLN NE2 N -10.529 4.724 2.980 1.00 . A A . 8 GLN NE2 1 1 14 2634 1 1 8 GLN O O -6.509 4.031 0.699 1.00 . A A . 8 GLN O 1 1 14 2635 1 1 8 GLN OE1 O -11.432 2.738 3.516 1.00 . A A . 8 GLN OE1 1 1 14 2636 1 1 9 SER C C -4.068 2.547 -0.057 1.00 . A A . 9 SER C 1 1 14 2637 1 1 9 SER CA C -5.297 2.046 -0.809 1.00 . A A . 9 SER CA 1 1 14 2638 1 1 9 SER CB C -5.666 3.031 -1.920 1.00 . A A . 9 SER CB 1 1 14 2639 1 1 9 SER H H -6.809 0.969 0.210 1.00 . A A . 9 SER H 1 1 14 2640 1 1 9 SER HA H -5.068 1.087 -1.250 1.00 . A A . 9 SER HA 1 1 14 2641 1 1 9 SER HB2 H -6.584 2.713 -2.390 1.00 . A A . 9 SER HB2 1 1 14 2642 1 1 9 SER HB3 H -5.802 4.015 -1.495 1.00 . A A . 9 SER HB3 1 1 14 2643 1 1 9 SER HG H -4.759 2.373 -3.527 1.00 . A A . 9 SER HG 1 1 14 2644 1 1 9 SER N N -6.423 1.864 0.100 1.00 . A A . 9 SER N 1 1 14 2645 1 1 9 SER O O -3.869 3.752 0.098 1.00 . A A . 9 SER O 1 1 14 2646 1 1 9 SER OG O -4.648 3.095 -2.904 1.00 . A A . 9 SER OG 1 1 14 2647 1 1 10 CYS C C -0.943 2.444 0.199 1.00 . A A . 10 CYS C 1 1 14 2648 1 1 10 CYS CA C -2.035 1.957 1.145 1.00 . A A . 10 CYS CA 1 1 14 2649 1 1 10 CYS CB C -1.535 0.749 1.939 1.00 . A A . 10 CYS CB 1 1 14 2650 1 1 10 CYS H H -3.458 0.668 0.254 1.00 . A A . 10 CYS H 1 1 14 2651 1 1 10 CYS HA H -2.280 2.752 1.833 1.00 . A A . 10 CYS HA 1 1 14 2652 1 1 10 CYS HB2 H -2.371 0.294 2.453 1.00 . A A . 10 CYS HB2 1 1 14 2653 1 1 10 CYS HB3 H -1.106 0.031 1.256 1.00 . A A . 10 CYS HB3 1 1 14 2654 1 1 10 CYS N N -3.245 1.613 0.409 1.00 . A A . 10 CYS N 1 1 14 2655 1 1 10 CYS O O -0.900 2.058 -0.970 1.00 . A A . 10 CYS O 1 1 14 2656 1 1 10 CYS SG S -0.272 1.151 3.189 1.00 . A A . 10 CYS SG 1 1 14 2657 1 1 11 PHE C C 2.275 2.957 0.022 1.00 . A A . 11 PHE C 1 1 14 2658 1 1 11 PHE CA C 1.034 3.837 -0.089 1.00 . A A . 11 PHE CA 1 1 14 2659 1 1 11 PHE CB C 1.362 5.263 0.359 1.00 . A A . 11 PHE CB 1 1 14 2660 1 1 11 PHE CD1 C 0.419 6.668 -1.493 1.00 . A A . 11 PHE CD1 1 1 14 2661 1 1 11 PHE CD2 C -0.527 6.881 0.685 1.00 . A A . 11 PHE CD2 1 1 14 2662 1 1 11 PHE CE1 C -0.466 7.615 -1.974 1.00 . A A . 11 PHE CE1 1 1 14 2663 1 1 11 PHE CE2 C -1.415 7.828 0.211 1.00 . A A . 11 PHE CE2 1 1 14 2664 1 1 11 PHE CG C 0.399 6.291 -0.161 1.00 . A A . 11 PHE CG 1 1 14 2665 1 1 11 PHE CZ C -1.384 8.196 -1.121 1.00 . A A . 11 PHE CZ 1 1 14 2666 1 1 11 PHE H H -0.146 3.567 1.649 1.00 . A A . 11 PHE H 1 1 14 2667 1 1 11 PHE HA H 0.711 3.857 -1.118 1.00 . A A . 11 PHE HA 1 1 14 2668 1 1 11 PHE HB2 H 1.346 5.307 1.438 1.00 . A A . 11 PHE HB2 1 1 14 2669 1 1 11 PHE HB3 H 2.350 5.523 0.007 1.00 . A A . 11 PHE HB3 1 1 14 2670 1 1 11 PHE HD1 H 1.137 6.214 -2.162 1.00 . A A . 11 PHE HD1 1 1 14 2671 1 1 11 PHE HD2 H -0.551 6.596 1.727 1.00 . A A . 11 PHE HD2 1 1 14 2672 1 1 11 PHE HE1 H -0.440 7.900 -3.015 1.00 . A A . 11 PHE HE1 1 1 14 2673 1 1 11 PHE HE2 H -2.131 8.280 0.879 1.00 . A A . 11 PHE HE2 1 1 14 2674 1 1 11 PHE HZ H -2.077 8.935 -1.494 1.00 . A A . 11 PHE HZ 1 1 14 2675 1 1 11 PHE N N -0.060 3.295 0.711 1.00 . A A . 11 PHE N 1 1 14 2676 1 1 11 PHE O O 2.464 2.226 0.994 1.00 . A A . 11 PHE O 1 1 14 2677 1 1 12 PRO C C 5.402 2.721 -0.012 1.00 . A A . 12 PRO C 1 1 14 2678 1 1 12 PRO CA C 4.382 2.247 -1.040 1.00 . A A . 12 PRO CA 1 1 14 2679 1 1 12 PRO CB C 4.903 2.484 -2.459 1.00 . A A . 12 PRO CB 1 1 14 2680 1 1 12 PRO CD C 2.981 3.880 -2.190 1.00 . A A . 12 PRO CD 1 1 14 2681 1 1 12 PRO CG C 4.324 3.796 -2.861 1.00 . A A . 12 PRO CG 1 1 14 2682 1 1 12 PRO HA H 4.191 1.193 -0.897 1.00 . A A . 12 PRO HA 1 1 14 2683 1 1 12 PRO HB2 H 5.984 2.515 -2.448 1.00 . A A . 12 PRO HB2 1 1 14 2684 1 1 12 PRO HB3 H 4.568 1.689 -3.109 1.00 . A A . 12 PRO HB3 1 1 14 2685 1 1 12 PRO HD2 H 2.762 4.899 -1.908 1.00 . A A . 12 PRO HD2 1 1 14 2686 1 1 12 PRO HD3 H 2.210 3.491 -2.839 1.00 . A A . 12 PRO HD3 1 1 14 2687 1 1 12 PRO HG2 H 4.962 4.599 -2.524 1.00 . A A . 12 PRO HG2 1 1 14 2688 1 1 12 PRO HG3 H 4.209 3.833 -3.934 1.00 . A A . 12 PRO HG3 1 1 14 2689 1 1 12 PRO N N 3.143 3.029 -0.999 1.00 . A A . 12 PRO N 1 1 14 2690 1 1 12 PRO O O 5.506 3.915 0.269 1.00 . A A . 12 PRO O 1 1 14 2691 1 1 13 ASP C C 8.385 1.194 1.395 1.00 . A A . 13 ASP C 1 1 14 2692 1 1 13 ASP CA C 7.168 2.101 1.545 1.00 . A A . 13 ASP CA 1 1 14 2693 1 1 13 ASP CB C 6.588 1.969 2.954 1.00 . A A . 13 ASP CB 1 1 14 2694 1 1 13 ASP CG C 5.832 0.669 3.150 1.00 . A A . 13 ASP CG 1 1 14 2695 1 1 13 ASP H H 6.024 0.844 0.282 1.00 . A A . 13 ASP H 1 1 14 2696 1 1 13 ASP HA H 7.475 3.124 1.387 1.00 . A A . 13 ASP HA 1 1 14 2697 1 1 13 ASP HB2 H 7.393 2.007 3.673 1.00 . A A . 13 ASP HB2 1 1 14 2698 1 1 13 ASP HB3 H 5.909 2.790 3.136 1.00 . A A . 13 ASP HB3 1 1 14 2699 1 1 13 ASP N N 6.154 1.779 0.548 1.00 . A A . 13 ASP N 1 1 14 2700 1 1 13 ASP O O 8.804 0.538 2.350 1.00 . A A . 13 ASP O 1 1 14 2701 1 1 13 ASP OD1 O 6.173 -0.324 2.472 1.00 . A A . 13 ASP OD1 1 1 14 2702 1 1 13 ASP OD2 O 4.901 0.643 3.980 1.00 . A A . 13 ASP OD2 1 1 15 2703 1 1 1 GLY C C 8.756 -0.748 -0.713 1.00 . A A . 1 GLY C 1 1 15 2704 1 1 1 GLY CA C 9.769 0.039 0.095 1.00 . A A . 1 GLY CA 1 1 15 2705 1 1 1 GLY H1 H 9.662 1.873 1.148 1.00 . A A . 1 GLY H1 1 1 15 2706 1 1 1 GLY HA2 H 10.473 0.500 -0.582 1.00 . A A . 1 GLY HA2 1 1 15 2707 1 1 1 GLY HA3 H 10.302 -0.641 0.743 1.00 . A A . 1 GLY HA3 1 1 15 2708 1 1 1 GLY N N 9.152 1.072 0.906 1.00 . A A . 1 GLY N 1 1 15 2709 1 1 1 GLY O O 8.536 -0.464 -1.890 1.00 . A A . 1 GLY O 1 1 15 2710 1 1 2 ARG C C 5.743 -2.005 -0.555 1.00 . A A . 2 ARG C 1 1 15 2711 1 1 2 ARG CA C 7.145 -2.573 -0.748 1.00 . A A . 2 ARG CA 1 1 15 2712 1 1 2 ARG CB C 7.206 -4.004 -0.212 1.00 . A A . 2 ARG CB 1 1 15 2713 1 1 2 ARG CD C 7.836 -5.452 -2.168 1.00 . A A . 2 ARG CD 1 1 15 2714 1 1 2 ARG CG C 8.298 -4.848 -0.852 1.00 . A A . 2 ARG CG 1 1 15 2715 1 1 2 ARG CZ C 7.052 -7.663 -1.434 1.00 . A A . 2 ARG CZ 1 1 15 2716 1 1 2 ARG H H 8.358 -1.917 0.859 1.00 . A A . 2 ARG H 1 1 15 2717 1 1 2 ARG HA H 7.376 -2.581 -1.802 1.00 . A A . 2 ARG HA 1 1 15 2718 1 1 2 ARG HB2 H 7.384 -3.972 0.852 1.00 . A A . 2 ARG HB2 1 1 15 2719 1 1 2 ARG HB3 H 6.256 -4.484 -0.397 1.00 . A A . 2 ARG HB3 1 1 15 2720 1 1 2 ARG HD2 H 7.432 -4.665 -2.789 1.00 . A A . 2 ARG HD2 1 1 15 2721 1 1 2 ARG HD3 H 8.686 -5.899 -2.661 1.00 . A A . 2 ARG HD3 1 1 15 2722 1 1 2 ARG HE H 5.897 -6.259 -2.255 1.00 . A A . 2 ARG HE 1 1 15 2723 1 1 2 ARG HG2 H 9.160 -4.223 -1.038 1.00 . A A . 2 ARG HG2 1 1 15 2724 1 1 2 ARG HG3 H 8.567 -5.643 -0.174 1.00 . A A . 2 ARG HG3 1 1 15 2725 1 1 2 ARG HH11 H 9.023 -7.323 -1.150 1.00 . A A . 2 ARG HH11 1 1 15 2726 1 1 2 ARG HH12 H 8.457 -8.877 -0.637 1.00 . A A . 2 ARG HH12 1 1 15 2727 1 1 2 ARG HH21 H 5.140 -8.303 -1.583 1.00 . A A . 2 ARG HH21 1 1 15 2728 1 1 2 ARG HH22 H 6.248 -9.435 -0.884 1.00 . A A . 2 ARG HH22 1 1 15 2729 1 1 2 ARG N N 8.139 -1.740 -0.079 1.00 . A A . 2 ARG N 1 1 15 2730 1 1 2 ARG NE N 6.810 -6.473 -1.971 1.00 . A A . 2 ARG NE 1 1 15 2731 1 1 2 ARG NH1 N 8.278 -7.981 -1.042 1.00 . A A . 2 ARG NH1 1 1 15 2732 1 1 2 ARG NH2 N 6.066 -8.539 -1.288 1.00 . A A . 2 ARG NH2 1 1 15 2733 1 1 2 ARG O O 5.478 -1.238 0.372 1.00 . A A . 2 ARG O 1 1 15 2734 1 1 3 PRO C C 2.668 -2.518 -0.217 1.00 . A A . 3 PRO C 1 1 15 2735 1 1 3 PRO CA C 3.430 -1.930 -1.400 1.00 . A A . 3 PRO CA 1 1 15 2736 1 1 3 PRO CB C 2.841 -2.435 -2.719 1.00 . A A . 3 PRO CB 1 1 15 2737 1 1 3 PRO CD C 5.065 -3.299 -2.580 1.00 . A A . 3 PRO CD 1 1 15 2738 1 1 3 PRO CG C 3.683 -3.610 -3.084 1.00 . A A . 3 PRO CG 1 1 15 2739 1 1 3 PRO HA H 3.368 -0.852 -1.366 1.00 . A A . 3 PRO HA 1 1 15 2740 1 1 3 PRO HB2 H 1.809 -2.720 -2.571 1.00 . A A . 3 PRO HB2 1 1 15 2741 1 1 3 PRO HB3 H 2.903 -1.659 -3.466 1.00 . A A . 3 PRO HB3 1 1 15 2742 1 1 3 PRO HD2 H 5.557 -4.202 -2.249 1.00 . A A . 3 PRO HD2 1 1 15 2743 1 1 3 PRO HD3 H 5.647 -2.812 -3.349 1.00 . A A . 3 PRO HD3 1 1 15 2744 1 1 3 PRO HG2 H 3.300 -4.498 -2.607 1.00 . A A . 3 PRO HG2 1 1 15 2745 1 1 3 PRO HG3 H 3.694 -3.733 -4.156 1.00 . A A . 3 PRO HG3 1 1 15 2746 1 1 3 PRO N N 4.820 -2.389 -1.450 1.00 . A A . 3 PRO N 1 1 15 2747 1 1 3 PRO O O 3.036 -3.567 0.312 1.00 . A A . 3 PRO O 1 1 15 2748 1 1 4 CYS C C -0.651 -2.539 0.874 1.00 . A A . 4 CYS C 1 1 15 2749 1 1 4 CYS CA C 0.788 -2.291 1.314 1.00 . A A . 4 CYS CA 1 1 15 2750 1 1 4 CYS CB C 0.818 -1.260 2.444 1.00 . A A . 4 CYS CB 1 1 15 2751 1 1 4 CYS H H 1.359 -1.006 -0.269 1.00 . A A . 4 CYS H 1 1 15 2752 1 1 4 CYS HA H 1.207 -3.219 1.674 1.00 . A A . 4 CYS HA 1 1 15 2753 1 1 4 CYS HB2 H 0.041 -1.495 3.156 1.00 . A A . 4 CYS HB2 1 1 15 2754 1 1 4 CYS HB3 H 1.777 -1.308 2.939 1.00 . A A . 4 CYS HB3 1 1 15 2755 1 1 4 CYS N N 1.603 -1.837 0.193 1.00 . A A . 4 CYS N 1 1 15 2756 1 1 4 CYS O O -1.471 -1.620 0.851 1.00 . A A . 4 CYS O 1 1 15 2757 1 1 4 CYS SG S 0.561 0.457 1.892 1.00 . A A . 4 CYS SG 1 1 15 2758 1 1 5 TYR C C -3.322 -3.869 1.175 1.00 . A A . 5 TYR C 1 1 15 2759 1 1 5 TYR CA C -2.292 -4.154 0.086 1.00 . A A . 5 TYR CA 1 1 15 2760 1 1 5 TYR CB C -2.336 -5.633 -0.298 1.00 . A A . 5 TYR CB 1 1 15 2761 1 1 5 TYR CD1 C -1.172 -5.681 -2.538 1.00 . A A . 5 TYR CD1 1 1 15 2762 1 1 5 TYR CD2 C -0.158 -6.840 -0.720 1.00 . A A . 5 TYR CD2 1 1 15 2763 1 1 5 TYR CE1 C -0.138 -6.067 -3.368 1.00 . A A . 5 TYR CE1 1 1 15 2764 1 1 5 TYR CE2 C 0.881 -7.230 -1.542 1.00 . A A . 5 TYR CE2 1 1 15 2765 1 1 5 TYR CG C -1.201 -6.060 -1.202 1.00 . A A . 5 TYR CG 1 1 15 2766 1 1 5 TYR CZ C 0.887 -6.842 -2.865 1.00 . A A . 5 TYR CZ 1 1 15 2767 1 1 5 TYR H H -0.256 -4.473 0.567 1.00 . A A . 5 TYR H 1 1 15 2768 1 1 5 TYR HA H -2.530 -3.559 -0.783 1.00 . A A . 5 TYR HA 1 1 15 2769 1 1 5 TYR HB2 H -2.287 -6.233 0.598 1.00 . A A . 5 TYR HB2 1 1 15 2770 1 1 5 TYR HB3 H -3.264 -5.838 -0.812 1.00 . A A . 5 TYR HB3 1 1 15 2771 1 1 5 TYR HD1 H -1.976 -5.074 -2.929 1.00 . A A . 5 TYR HD1 1 1 15 2772 1 1 5 TYR HD2 H -0.165 -7.143 0.317 1.00 . A A . 5 TYR HD2 1 1 15 2773 1 1 5 TYR HE1 H -0.133 -5.763 -4.404 1.00 . A A . 5 TYR HE1 1 1 15 2774 1 1 5 TYR HE2 H 1.684 -7.836 -1.148 1.00 . A A . 5 TYR HE2 1 1 15 2775 1 1 5 TYR HH H 1.671 -7.083 -4.604 1.00 . A A . 5 TYR HH 1 1 15 2776 1 1 5 TYR N N -0.952 -3.785 0.527 1.00 . A A . 5 TYR N 1 1 15 2777 1 1 5 TYR O O -3.315 -4.497 2.234 1.00 . A A . 5 TYR O 1 1 15 2778 1 1 5 TYR OH O 1.920 -7.229 -3.688 1.00 . A A . 5 TYR OH 1 1 15 2779 1 1 6 THR C C -6.365 -1.765 1.183 1.00 . A A . 6 THR C 1 1 15 2780 1 1 6 THR CA C -5.244 -2.544 1.863 1.00 . A A . 6 THR CA 1 1 15 2781 1 1 6 THR CB C -4.670 -1.696 3.013 1.00 . A A . 6 THR CB 1 1 15 2782 1 1 6 THR CG2 C -4.248 -2.580 4.177 1.00 . A A . 6 THR CG2 1 1 15 2783 1 1 6 THR H H -4.162 -2.450 0.046 1.00 . A A . 6 THR H 1 1 15 2784 1 1 6 THR HA H -5.652 -3.452 2.281 1.00 . A A . 6 THR HA 1 1 15 2785 1 1 6 THR HB H -5.437 -1.016 3.357 1.00 . A A . 6 THR HB 1 1 15 2786 1 1 6 THR HG1 H -3.851 -0.103 2.188 1.00 . A A . 6 THR HG1 1 1 15 2787 1 1 6 THR HG21 H -4.505 -2.097 5.109 1.00 . A A . 6 THR HG21 1 1 15 2788 1 1 6 THR HG22 H -3.180 -2.741 4.139 1.00 . A A . 6 THR HG22 1 1 15 2789 1 1 6 THR HG23 H -4.757 -3.529 4.112 1.00 . A A . 6 THR HG23 1 1 15 2790 1 1 6 THR N N -4.208 -2.914 0.907 1.00 . A A . 6 THR N 1 1 15 2791 1 1 6 THR O O -6.154 -1.126 0.151 1.00 . A A . 6 THR O 1 1 15 2792 1 1 6 THR OG1 O -3.546 -0.939 2.550 1.00 . A A . 6 THR OG1 1 1 15 2793 1 1 7 LEU C C -8.412 0.364 1.038 1.00 . A A . 7 LEU C 1 1 15 2794 1 1 7 LEU CA C -8.711 -1.119 1.219 1.00 . A A . 7 LEU CA 1 1 15 2795 1 1 7 LEU CB C -9.923 -1.299 2.135 1.00 . A A . 7 LEU CB 1 1 15 2796 1 1 7 LEU CD1 C -10.436 0.821 3.370 1.00 . A A . 7 LEU CD1 1 1 15 2797 1 1 7 LEU CD2 C -10.595 -1.380 4.549 1.00 . A A . 7 LEU CD2 1 1 15 2798 1 1 7 LEU CG C -9.858 -0.581 3.484 1.00 . A A . 7 LEU CG 1 1 15 2799 1 1 7 LEU H H -7.663 -2.346 2.588 1.00 . A A . 7 LEU H 1 1 15 2800 1 1 7 LEU HA H -8.934 -1.550 0.254 1.00 . A A . 7 LEU HA 1 1 15 2801 1 1 7 LEU HB2 H -10.792 -0.934 1.608 1.00 . A A . 7 LEU HB2 1 1 15 2802 1 1 7 LEU HB3 H -10.039 -2.356 2.327 1.00 . A A . 7 LEU HB3 1 1 15 2803 1 1 7 LEU HD11 H -11.021 0.898 2.466 1.00 . A A . 7 LEU HD11 1 1 15 2804 1 1 7 LEU HD12 H -9.632 1.541 3.341 1.00 . A A . 7 LEU HD12 1 1 15 2805 1 1 7 LEU HD13 H -11.066 1.020 4.225 1.00 . A A . 7 LEU HD13 1 1 15 2806 1 1 7 LEU HD21 H -10.135 -1.206 5.510 1.00 . A A . 7 LEU HD21 1 1 15 2807 1 1 7 LEU HD22 H -10.543 -2.432 4.310 1.00 . A A . 7 LEU HD22 1 1 15 2808 1 1 7 LEU HD23 H -11.628 -1.068 4.581 1.00 . A A . 7 LEU HD23 1 1 15 2809 1 1 7 LEU HG H -8.824 -0.492 3.786 1.00 . A A . 7 LEU HG 1 1 15 2810 1 1 7 LEU N N -7.557 -1.821 1.768 1.00 . A A . 7 LEU N 1 1 15 2811 1 1 7 LEU O O -8.885 0.991 0.090 1.00 . A A . 7 LEU O 1 1 15 2812 1 1 8 GLN C C -6.347 2.606 0.698 1.00 . A A . 8 GLN C 1 1 15 2813 1 1 8 GLN CA C -7.258 2.330 1.890 1.00 . A A . 8 GLN CA 1 1 15 2814 1 1 8 GLN CB C -6.565 2.756 3.186 1.00 . A A . 8 GLN CB 1 1 15 2815 1 1 8 GLN CD C -6.668 2.861 5.709 1.00 . A A . 8 GLN CD 1 1 15 2816 1 1 8 GLN CG C -7.416 2.543 4.429 1.00 . A A . 8 GLN CG 1 1 15 2817 1 1 8 GLN H H -7.276 0.368 2.682 1.00 . A A . 8 GLN H 1 1 15 2818 1 1 8 GLN HA H -8.166 2.902 1.774 1.00 . A A . 8 GLN HA 1 1 15 2819 1 1 8 GLN HB2 H -5.654 2.188 3.297 1.00 . A A . 8 GLN HB2 1 1 15 2820 1 1 8 GLN HB3 H -6.319 3.805 3.121 1.00 . A A . 8 GLN HB3 1 1 15 2821 1 1 8 GLN HE21 H -7.240 4.762 5.599 1.00 . A A . 8 GLN HE21 1 1 15 2822 1 1 8 GLN HE22 H -6.252 4.352 6.956 1.00 . A A . 8 GLN HE22 1 1 15 2823 1 1 8 GLN HG2 H -8.284 3.182 4.369 1.00 . A A . 8 GLN HG2 1 1 15 2824 1 1 8 GLN HG3 H -7.731 1.511 4.461 1.00 . A A . 8 GLN HG3 1 1 15 2825 1 1 8 GLN N N -7.622 0.919 1.951 1.00 . A A . 8 GLN N 1 1 15 2826 1 1 8 GLN NE2 N -6.724 4.119 6.131 1.00 . A A . 8 GLN NE2 1 1 15 2827 1 1 8 GLN O O -6.282 3.731 0.202 1.00 . A A . 8 GLN O 1 1 15 2828 1 1 8 GLN OE1 O -6.045 1.986 6.311 1.00 . A A . 8 GLN OE1 1 1 15 2829 1 1 9 SER C C -3.571 2.628 -0.542 1.00 . A A . 9 SER C 1 1 15 2830 1 1 9 SER CA C -4.735 1.706 -0.887 1.00 . A A . 9 SER CA 1 1 15 2831 1 1 9 SER CB C -5.481 2.244 -2.110 1.00 . A A . 9 SER CB 1 1 15 2832 1 1 9 SER H H -5.741 0.701 0.682 1.00 . A A . 9 SER H 1 1 15 2833 1 1 9 SER HA H -4.346 0.725 -1.117 1.00 . A A . 9 SER HA 1 1 15 2834 1 1 9 SER HB2 H -6.490 1.858 -2.111 1.00 . A A . 9 SER HB2 1 1 15 2835 1 1 9 SER HB3 H -5.508 3.323 -2.064 1.00 . A A . 9 SER HB3 1 1 15 2836 1 1 9 SER HG H -4.564 0.936 -3.243 1.00 . A A . 9 SER HG 1 1 15 2837 1 1 9 SER N N -5.646 1.573 0.244 1.00 . A A . 9 SER N 1 1 15 2838 1 1 9 SER O O -3.198 3.499 -1.329 1.00 . A A . 9 SER O 1 1 15 2839 1 1 9 SER OG O -4.841 1.852 -3.312 1.00 . A A . 9 SER OG 1 1 15 2840 1 1 10 CYS C C -0.683 3.097 0.153 1.00 . A A . 10 CYS C 1 1 15 2841 1 1 10 CYS CA C -1.875 3.243 1.094 1.00 . A A . 10 CYS CA 1 1 15 2842 1 1 10 CYS CB C -1.470 2.844 2.514 1.00 . A A . 10 CYS CB 1 1 15 2843 1 1 10 CYS H H -3.339 1.720 1.225 1.00 . A A . 10 CYS H 1 1 15 2844 1 1 10 CYS HA H -2.192 4.275 1.096 1.00 . A A . 10 CYS HA 1 1 15 2845 1 1 10 CYS HB2 H -0.552 3.352 2.774 1.00 . A A . 10 CYS HB2 1 1 15 2846 1 1 10 CYS HB3 H -2.248 3.144 3.200 1.00 . A A . 10 CYS HB3 1 1 15 2847 1 1 10 CYS N N -2.998 2.431 0.642 1.00 . A A . 10 CYS N 1 1 15 2848 1 1 10 CYS O O -0.518 2.067 -0.502 1.00 . A A . 10 CYS O 1 1 15 2849 1 1 10 CYS SG S -1.193 1.056 2.734 1.00 . A A . 10 CYS SG 1 1 15 2850 1 1 11 PHE C C 2.353 3.117 -0.269 1.00 . A A . 11 PHE C 1 1 15 2851 1 1 11 PHE CA C 1.322 4.122 -0.772 1.00 . A A . 11 PHE CA 1 1 15 2852 1 1 11 PHE CB C 1.943 5.518 -0.840 1.00 . A A . 11 PHE CB 1 1 15 2853 1 1 11 PHE CD1 C -0.106 6.850 -1.406 1.00 . A A . 11 PHE CD1 1 1 15 2854 1 1 11 PHE CD2 C 1.771 6.982 -2.871 1.00 . A A . 11 PHE CD2 1 1 15 2855 1 1 11 PHE CE1 C -0.805 7.724 -2.218 1.00 . A A . 11 PHE CE1 1 1 15 2856 1 1 11 PHE CE2 C 1.077 7.857 -3.686 1.00 . A A . 11 PHE CE2 1 1 15 2857 1 1 11 PHE CG C 1.187 6.469 -1.723 1.00 . A A . 11 PHE CG 1 1 15 2858 1 1 11 PHE CZ C -0.212 8.229 -3.358 1.00 . A A . 11 PHE CZ 1 1 15 2859 1 1 11 PHE H H -0.040 4.927 0.636 1.00 . A A . 11 PHE H 1 1 15 2860 1 1 11 PHE HA H 1.004 3.830 -1.761 1.00 . A A . 11 PHE HA 1 1 15 2861 1 1 11 PHE HB2 H 1.972 5.941 0.152 1.00 . A A . 11 PHE HB2 1 1 15 2862 1 1 11 PHE HB3 H 2.950 5.438 -1.223 1.00 . A A . 11 PHE HB3 1 1 15 2863 1 1 11 PHE HD1 H -0.571 6.456 -0.514 1.00 . A A . 11 PHE HD1 1 1 15 2864 1 1 11 PHE HD2 H 2.779 6.693 -3.128 1.00 . A A . 11 PHE HD2 1 1 15 2865 1 1 11 PHE HE1 H -1.813 8.014 -1.959 1.00 . A A . 11 PHE HE1 1 1 15 2866 1 1 11 PHE HE2 H 1.543 8.250 -4.577 1.00 . A A . 11 PHE HE2 1 1 15 2867 1 1 11 PHE HZ H -0.756 8.912 -3.994 1.00 . A A . 11 PHE HZ 1 1 15 2868 1 1 11 PHE N N 0.144 4.134 0.090 1.00 . A A . 11 PHE N 1 1 15 2869 1 1 11 PHE O O 2.385 2.758 0.908 1.00 . A A . 11 PHE O 1 1 15 2870 1 1 12 PRO C C 5.363 2.284 0.018 1.00 . A A . 12 PRO C 1 1 15 2871 1 1 12 PRO CA C 4.268 1.682 -0.855 1.00 . A A . 12 PRO CA 1 1 15 2872 1 1 12 PRO CB C 4.830 1.293 -2.225 1.00 . A A . 12 PRO CB 1 1 15 2873 1 1 12 PRO CD C 3.239 3.037 -2.603 1.00 . A A . 12 PRO CD 1 1 15 2874 1 1 12 PRO CG C 4.537 2.462 -3.100 1.00 . A A . 12 PRO CG 1 1 15 2875 1 1 12 PRO HA H 3.862 0.806 -0.369 1.00 . A A . 12 PRO HA 1 1 15 2876 1 1 12 PRO HB2 H 5.894 1.117 -2.144 1.00 . A A . 12 PRO HB2 1 1 15 2877 1 1 12 PRO HB3 H 4.338 0.401 -2.580 1.00 . A A . 12 PRO HB3 1 1 15 2878 1 1 12 PRO HD2 H 3.237 4.111 -2.712 1.00 . A A . 12 PRO HD2 1 1 15 2879 1 1 12 PRO HD3 H 2.406 2.600 -3.133 1.00 . A A . 12 PRO HD3 1 1 15 2880 1 1 12 PRO HG2 H 5.327 3.192 -3.016 1.00 . A A . 12 PRO HG2 1 1 15 2881 1 1 12 PRO HG3 H 4.434 2.136 -4.125 1.00 . A A . 12 PRO HG3 1 1 15 2882 1 1 12 PRO N N 3.219 2.652 -1.182 1.00 . A A . 12 PRO N 1 1 15 2883 1 1 12 PRO O O 5.676 3.470 -0.091 1.00 . A A . 12 PRO O 1 1 15 2884 1 1 13 ASP C C 8.154 0.912 1.803 1.00 . A A . 13 ASP C 1 1 15 2885 1 1 13 ASP CA C 7.004 1.913 1.777 1.00 . A A . 13 ASP CA 1 1 15 2886 1 1 13 ASP CB C 6.458 2.118 3.191 1.00 . A A . 13 ASP CB 1 1 15 2887 1 1 13 ASP CG C 5.615 0.949 3.661 1.00 . A A . 13 ASP CG 1 1 15 2888 1 1 13 ASP H H 5.649 0.527 0.926 1.00 . A A . 13 ASP H 1 1 15 2889 1 1 13 ASP HA H 7.372 2.856 1.403 1.00 . A A . 13 ASP HA 1 1 15 2890 1 1 13 ASP HB2 H 7.286 2.239 3.875 1.00 . A A . 13 ASP HB2 1 1 15 2891 1 1 13 ASP HB3 H 5.848 3.009 3.208 1.00 . A A . 13 ASP HB3 1 1 15 2892 1 1 13 ASP N N 5.942 1.461 0.885 1.00 . A A . 13 ASP N 1 1 15 2893 1 1 13 ASP O O 8.026 -0.182 2.354 1.00 . A A . 13 ASP O 1 1 15 2894 1 1 13 ASP OD1 O 4.413 0.911 3.325 1.00 . A A . 13 ASP OD1 1 1 15 2895 1 1 13 ASP OD2 O 6.158 0.072 4.365 1.00 . A A . 13 ASP OD2 1 1 16 2896 1 1 1 GLY C C 8.755 -0.746 -0.714 1.00 . A A . 1 GLY C 1 1 16 2897 1 1 1 GLY CA C 9.767 0.043 0.093 1.00 . A A . 1 GLY CA 1 1 16 2898 1 1 1 GLY H1 H 9.707 1.755 1.337 1.00 . A A . 1 GLY H1 1 1 16 2899 1 1 1 GLY HA2 H 10.471 0.504 -0.584 1.00 . A A . 1 GLY HA2 1 1 16 2900 1 1 1 GLY HA3 H 10.301 -0.637 0.742 1.00 . A A . 1 GLY HA3 1 1 16 2901 1 1 1 GLY N N 9.149 1.075 0.904 1.00 . A A . 1 GLY N 1 1 16 2902 1 1 1 GLY O O 8.534 -0.463 -1.892 1.00 . A A . 1 GLY O 1 1 16 2903 1 1 2 ARG C C 5.742 -2.004 -0.555 1.00 . A A . 2 ARG C 1 1 16 2904 1 1 2 ARG CA C 7.146 -2.571 -0.747 1.00 . A A . 2 ARG CA 1 1 16 2905 1 1 2 ARG CB C 7.207 -4.003 -0.211 1.00 . A A . 2 ARG CB 1 1 16 2906 1 1 2 ARG CD C 8.019 -6.331 -0.694 1.00 . A A . 2 ARG CD 1 1 16 2907 1 1 2 ARG CG C 8.300 -4.844 -0.848 1.00 . A A . 2 ARG CG 1 1 16 2908 1 1 2 ARG CZ C 8.141 -8.004 1.103 1.00 . A A . 2 ARG CZ 1 1 16 2909 1 1 2 ARG H H 8.357 -1.914 0.860 1.00 . A A . 2 ARG H 1 1 16 2910 1 1 2 ARG HA H 7.375 -2.581 -1.802 1.00 . A A . 2 ARG HA 1 1 16 2911 1 1 2 ARG HB2 H 7.383 -3.969 0.855 1.00 . A A . 2 ARG HB2 1 1 16 2912 1 1 2 ARG HB3 H 6.258 -4.484 -0.396 1.00 . A A . 2 ARG HB3 1 1 16 2913 1 1 2 ARG HD2 H 7.058 -6.550 -1.135 1.00 . A A . 2 ARG HD2 1 1 16 2914 1 1 2 ARG HD3 H 8.787 -6.884 -1.215 1.00 . A A . 2 ARG HD3 1 1 16 2915 1 1 2 ARG HE H 7.884 -6.047 1.384 1.00 . A A . 2 ARG HE 1 1 16 2916 1 1 2 ARG HG2 H 8.359 -4.607 -1.899 1.00 . A A . 2 ARG HG2 1 1 16 2917 1 1 2 ARG HG3 H 9.242 -4.614 -0.372 1.00 . A A . 2 ARG HG3 1 1 16 2918 1 1 2 ARG HH11 H 8.324 -8.749 -0.766 1.00 . A A . 2 ARG HH11 1 1 16 2919 1 1 2 ARG HH12 H 8.408 -9.917 0.510 1.00 . A A . 2 ARG HH12 1 1 16 2920 1 1 2 ARG HH21 H 7.994 -7.575 3.073 1.00 . A A . 2 ARG HH21 1 1 16 2921 1 1 2 ARG HH22 H 8.219 -9.249 2.693 1.00 . A A . 2 ARG HH22 1 1 16 2922 1 1 2 ARG N N 8.138 -1.737 -0.080 1.00 . A A . 2 ARG N 1 1 16 2923 1 1 2 ARG NE N 8.003 -6.744 0.706 1.00 . A A . 2 ARG NE 1 1 16 2924 1 1 2 ARG NH1 N 8.304 -8.970 0.209 1.00 . A A . 2 ARG NH1 1 1 16 2925 1 1 2 ARG NH2 N 8.116 -8.301 2.396 1.00 . A A . 2 ARG NH2 1 1 16 2926 1 1 2 ARG O O 5.477 -1.237 0.371 1.00 . A A . 2 ARG O 1 1 16 2927 1 1 3 PRO C C 2.667 -2.519 -0.218 1.00 . A A . 3 PRO C 1 1 16 2928 1 1 3 PRO CA C 3.428 -1.931 -1.401 1.00 . A A . 3 PRO CA 1 1 16 2929 1 1 3 PRO CB C 2.841 -2.437 -2.720 1.00 . A A . 3 PRO CB 1 1 16 2930 1 1 3 PRO CD C 5.066 -3.300 -2.580 1.00 . A A . 3 PRO CD 1 1 16 2931 1 1 3 PRO CG C 3.684 -3.611 -3.084 1.00 . A A . 3 PRO CG 1 1 16 2932 1 1 3 PRO HA H 3.366 -0.853 -1.367 1.00 . A A . 3 PRO HA 1 1 16 2933 1 1 3 PRO HB2 H 1.809 -2.722 -2.572 1.00 . A A . 3 PRO HB2 1 1 16 2934 1 1 3 PRO HB3 H 2.902 -1.661 -3.467 1.00 . A A . 3 PRO HB3 1 1 16 2935 1 1 3 PRO HD2 H 5.558 -4.203 -2.248 1.00 . A A . 3 PRO HD2 1 1 16 2936 1 1 3 PRO HD3 H 5.648 -2.813 -3.349 1.00 . A A . 3 PRO HD3 1 1 16 2937 1 1 3 PRO HG2 H 3.301 -4.500 -2.607 1.00 . A A . 3 PRO HG2 1 1 16 2938 1 1 3 PRO HG3 H 3.696 -3.735 -4.157 1.00 . A A . 3 PRO HG3 1 1 16 2939 1 1 3 PRO N N 4.820 -2.389 -1.450 1.00 . A A . 3 PRO N 1 1 16 2940 1 1 3 PRO O O 3.036 -3.569 0.311 1.00 . A A . 3 PRO O 1 1 16 2941 1 1 4 CYS C C -0.652 -2.539 0.874 1.00 . A A . 4 CYS C 1 1 16 2942 1 1 4 CYS CA C 0.789 -2.292 1.313 1.00 . A A . 4 CYS CA 1 1 16 2943 1 1 4 CYS CB C 0.819 -1.262 2.444 1.00 . A A . 4 CYS CB 1 1 16 2944 1 1 4 CYS H H 1.359 -1.007 -0.268 1.00 . A A . 4 CYS H 1 1 16 2945 1 1 4 CYS HA H 1.206 -3.220 1.673 1.00 . A A . 4 CYS HA 1 1 16 2946 1 1 4 CYS HB2 H 0.041 -1.496 3.156 1.00 . A A . 4 CYS HB2 1 1 16 2947 1 1 4 CYS HB3 H 1.777 -1.309 2.938 1.00 . A A . 4 CYS HB3 1 1 16 2948 1 1 4 CYS N N 1.603 -1.837 0.193 1.00 . A A . 4 CYS N 1 1 16 2949 1 1 4 CYS O O -1.471 -1.621 0.851 1.00 . A A . 4 CYS O 1 1 16 2950 1 1 4 CYS SG S 0.562 0.455 1.892 1.00 . A A . 4 CYS SG 1 1 16 2951 1 1 5 TYR C C -3.322 -3.869 1.175 1.00 . A A . 5 TYR C 1 1 16 2952 1 1 5 TYR CA C -2.293 -4.153 0.086 1.00 . A A . 5 TYR CA 1 1 16 2953 1 1 5 TYR CB C -2.338 -5.633 -0.298 1.00 . A A . 5 TYR CB 1 1 16 2954 1 1 5 TYR CD1 C -1.294 -5.760 -2.595 1.00 . A A . 5 TYR CD1 1 1 16 2955 1 1 5 TYR CD2 C -0.113 -6.732 -0.768 1.00 . A A . 5 TYR CD2 1 1 16 2956 1 1 5 TYR CE1 C -0.283 -6.137 -3.457 1.00 . A A . 5 TYR CE1 1 1 16 2957 1 1 5 TYR CE2 C 0.904 -7.113 -1.622 1.00 . A A . 5 TYR CE2 1 1 16 2958 1 1 5 TYR CG C -1.228 -6.050 -1.237 1.00 . A A . 5 TYR CG 1 1 16 2959 1 1 5 TYR CZ C 0.814 -6.813 -2.966 1.00 . A A . 5 TYR CZ 1 1 16 2960 1 1 5 TYR H H -0.256 -4.474 0.565 1.00 . A A . 5 TYR H 1 1 16 2961 1 1 5 TYR HA H -2.531 -3.559 -0.784 1.00 . A A . 5 TYR HA 1 1 16 2962 1 1 5 TYR HB2 H -2.257 -6.233 0.596 1.00 . A A . 5 TYR HB2 1 1 16 2963 1 1 5 TYR HB3 H -3.279 -5.844 -0.783 1.00 . A A . 5 TYR HB3 1 1 16 2964 1 1 5 TYR HD1 H -2.156 -5.230 -2.976 1.00 . A A . 5 TYR HD1 1 1 16 2965 1 1 5 TYR HD2 H -0.045 -6.966 0.285 1.00 . A A . 5 TYR HD2 1 1 16 2966 1 1 5 TYR HE1 H -0.353 -5.903 -4.509 1.00 . A A . 5 TYR HE1 1 1 16 2967 1 1 5 TYR HE2 H 1.763 -7.643 -1.238 1.00 . A A . 5 TYR HE2 1 1 16 2968 1 1 5 TYR HH H 1.487 -7.837 -4.447 1.00 . A A . 5 TYR HH 1 1 16 2969 1 1 5 TYR N N -0.952 -3.785 0.526 1.00 . A A . 5 TYR N 1 1 16 2970 1 1 5 TYR O O -3.315 -4.498 2.233 1.00 . A A . 5 TYR O 1 1 16 2971 1 1 5 TYR OH O 1.824 -7.192 -3.821 1.00 . A A . 5 TYR OH 1 1 16 2972 1 1 6 THR C C -6.365 -1.765 1.184 1.00 . A A . 6 THR C 1 1 16 2973 1 1 6 THR CA C -5.244 -2.543 1.863 1.00 . A A . 6 THR CA 1 1 16 2974 1 1 6 THR CB C -4.670 -1.696 3.013 1.00 . A A . 6 THR CB 1 1 16 2975 1 1 6 THR CG2 C -4.248 -2.579 4.178 1.00 . A A . 6 THR CG2 1 1 16 2976 1 1 6 THR H H -4.163 -2.448 0.046 1.00 . A A . 6 THR H 1 1 16 2977 1 1 6 THR HA H -5.653 -3.452 2.282 1.00 . A A . 6 THR HA 1 1 16 2978 1 1 6 THR HB H -5.436 -1.015 3.356 1.00 . A A . 6 THR HB 1 1 16 2979 1 1 6 THR HG1 H -3.819 -0.373 1.823 1.00 . A A . 6 THR HG1 1 1 16 2980 1 1 6 THR HG21 H -4.717 -2.229 5.084 1.00 . A A . 6 THR HG21 1 1 16 2981 1 1 6 THR HG22 H -3.174 -2.539 4.289 1.00 . A A . 6 THR HG22 1 1 16 2982 1 1 6 THR HG23 H -4.552 -3.598 3.985 1.00 . A A . 6 THR HG23 1 1 16 2983 1 1 6 THR N N -4.208 -2.914 0.907 1.00 . A A . 6 THR N 1 1 16 2984 1 1 6 THR O O -6.155 -1.126 0.152 1.00 . A A . 6 THR O 1 1 16 2985 1 1 6 THR OG1 O -3.547 -0.938 2.551 1.00 . A A . 6 THR OG1 1 1 16 2986 1 1 7 LEU C C -8.412 0.365 1.038 1.00 . A A . 7 LEU C 1 1 16 2987 1 1 7 LEU CA C -8.712 -1.119 1.221 1.00 . A A . 7 LEU CA 1 1 16 2988 1 1 7 LEU CB C -9.923 -1.297 2.137 1.00 . A A . 7 LEU CB 1 1 16 2989 1 1 7 LEU CD1 C -11.753 -2.743 3.055 1.00 . A A . 7 LEU CD1 1 1 16 2990 1 1 7 LEU CD2 C -11.405 -2.592 0.583 1.00 . A A . 7 LEU CD2 1 1 16 2991 1 1 7 LEU CG C -10.726 -2.584 1.945 1.00 . A A . 7 LEU CG 1 1 16 2992 1 1 7 LEU H H -7.663 -2.346 2.589 1.00 . A A . 7 LEU H 1 1 16 2993 1 1 7 LEU HA H -8.934 -1.550 0.255 1.00 . A A . 7 LEU HA 1 1 16 2994 1 1 7 LEU HB2 H -9.573 -1.275 3.156 1.00 . A A . 7 LEU HB2 1 1 16 2995 1 1 7 LEU HB3 H -10.590 -0.463 1.969 1.00 . A A . 7 LEU HB3 1 1 16 2996 1 1 7 LEU HD11 H -11.271 -2.615 4.013 1.00 . A A . 7 LEU HD11 1 1 16 2997 1 1 7 LEU HD12 H -12.192 -3.728 3.002 1.00 . A A . 7 LEU HD12 1 1 16 2998 1 1 7 LEU HD13 H -12.528 -1.999 2.940 1.00 . A A . 7 LEU HD13 1 1 16 2999 1 1 7 LEU HD21 H -10.757 -3.066 -0.139 1.00 . A A . 7 LEU HD21 1 1 16 3000 1 1 7 LEU HD22 H -11.605 -1.576 0.275 1.00 . A A . 7 LEU HD22 1 1 16 3001 1 1 7 LEU HD23 H -12.334 -3.139 0.647 1.00 . A A . 7 LEU HD23 1 1 16 3002 1 1 7 LEU HG H -10.054 -3.430 1.990 1.00 . A A . 7 LEU HG 1 1 16 3003 1 1 7 LEU N N -7.557 -1.821 1.769 1.00 . A A . 7 LEU N 1 1 16 3004 1 1 7 LEU O O -8.884 0.991 0.090 1.00 . A A . 7 LEU O 1 1 16 3005 1 1 8 GLN C C -6.346 2.607 0.698 1.00 . A A . 8 GLN C 1 1 16 3006 1 1 8 GLN CA C -7.257 2.331 1.889 1.00 . A A . 8 GLN CA 1 1 16 3007 1 1 8 GLN CB C -6.565 2.757 3.186 1.00 . A A . 8 GLN CB 1 1 16 3008 1 1 8 GLN CD C -6.801 3.289 5.645 1.00 . A A . 8 GLN CD 1 1 16 3009 1 1 8 GLN CG C -7.514 2.899 4.364 1.00 . A A . 8 GLN CG 1 1 16 3010 1 1 8 GLN H H -7.276 0.369 2.683 1.00 . A A . 8 GLN H 1 1 16 3011 1 1 8 GLN HA H -8.165 2.903 1.772 1.00 . A A . 8 GLN HA 1 1 16 3012 1 1 8 GLN HB2 H -5.816 2.022 3.439 1.00 . A A . 8 GLN HB2 1 1 16 3013 1 1 8 GLN HB3 H -6.082 3.710 3.024 1.00 . A A . 8 GLN HB3 1 1 16 3014 1 1 8 GLN HE21 H -8.292 4.511 6.131 1.00 . A A . 8 GLN HE21 1 1 16 3015 1 1 8 GLN HE22 H -6.982 4.438 7.256 1.00 . A A . 8 GLN HE22 1 1 16 3016 1 1 8 GLN HG2 H -8.246 3.659 4.133 1.00 . A A . 8 GLN HG2 1 1 16 3017 1 1 8 GLN HG3 H -8.015 1.955 4.522 1.00 . A A . 8 GLN HG3 1 1 16 3018 1 1 8 GLN N N -7.621 0.920 1.951 1.00 . A A . 8 GLN N 1 1 16 3019 1 1 8 GLN NE2 N -7.420 4.168 6.423 1.00 . A A . 8 GLN NE2 1 1 16 3020 1 1 8 GLN O O -6.281 3.731 0.202 1.00 . A A . 8 GLN O 1 1 16 3021 1 1 8 GLN OE1 O -5.706 2.805 5.930 1.00 . A A . 8 GLN OE1 1 1 16 3022 1 1 9 SER C C -3.569 2.627 -0.541 1.00 . A A . 9 SER C 1 1 16 3023 1 1 9 SER CA C -4.734 1.704 -0.887 1.00 . A A . 9 SER CA 1 1 16 3024 1 1 9 SER CB C -5.480 2.243 -2.109 1.00 . A A . 9 SER CB 1 1 16 3025 1 1 9 SER H H -5.740 0.701 0.683 1.00 . A A . 9 SER H 1 1 16 3026 1 1 9 SER HA H -4.346 0.723 -1.116 1.00 . A A . 9 SER HA 1 1 16 3027 1 1 9 SER HB2 H -6.505 1.906 -2.080 1.00 . A A . 9 SER HB2 1 1 16 3028 1 1 9 SER HB3 H -5.455 3.322 -2.097 1.00 . A A . 9 SER HB3 1 1 16 3029 1 1 9 SER HG H -4.544 2.536 -3.806 1.00 . A A . 9 SER HG 1 1 16 3030 1 1 9 SER N N -5.644 1.573 0.244 1.00 . A A . 9 SER N 1 1 16 3031 1 1 9 SER O O -3.196 3.498 -1.328 1.00 . A A . 9 SER O 1 1 16 3032 1 1 9 SER OG O -4.884 1.786 -3.311 1.00 . A A . 9 SER OG 1 1 16 3033 1 1 10 CYS C C -0.682 3.096 0.152 1.00 . A A . 10 CYS C 1 1 16 3034 1 1 10 CYS CA C -1.874 3.242 1.094 1.00 . A A . 10 CYS CA 1 1 16 3035 1 1 10 CYS CB C -1.468 2.843 2.514 1.00 . A A . 10 CYS CB 1 1 16 3036 1 1 10 CYS H H -3.338 1.719 1.225 1.00 . A A . 10 CYS H 1 1 16 3037 1 1 10 CYS HA H -2.190 4.274 1.096 1.00 . A A . 10 CYS HA 1 1 16 3038 1 1 10 CYS HB2 H -0.551 3.351 2.774 1.00 . A A . 10 CYS HB2 1 1 16 3039 1 1 10 CYS HB3 H -2.246 3.144 3.200 1.00 . A A . 10 CYS HB3 1 1 16 3040 1 1 10 CYS N N -2.997 2.430 0.641 1.00 . A A . 10 CYS N 1 1 16 3041 1 1 10 CYS O O -0.517 2.065 -0.502 1.00 . A A . 10 CYS O 1 1 16 3042 1 1 10 CYS SG S -1.192 1.056 2.734 1.00 . A A . 10 CYS SG 1 1 16 3043 1 1 11 PHE C C 2.355 3.116 -0.270 1.00 . A A . 11 PHE C 1 1 16 3044 1 1 11 PHE CA C 1.323 4.121 -0.772 1.00 . A A . 11 PHE CA 1 1 16 3045 1 1 11 PHE CB C 1.946 5.517 -0.841 1.00 . A A . 11 PHE CB 1 1 16 3046 1 1 11 PHE CD1 C 0.131 7.190 -1.298 1.00 . A A . 11 PHE CD1 1 1 16 3047 1 1 11 PHE CD2 C 1.605 6.603 -3.077 1.00 . A A . 11 PHE CD2 1 1 16 3048 1 1 11 PHE CE1 C -0.545 8.054 -2.137 1.00 . A A . 11 PHE CE1 1 1 16 3049 1 1 11 PHE CE2 C 0.934 7.467 -3.922 1.00 . A A . 11 PHE CE2 1 1 16 3050 1 1 11 PHE CG C 1.213 6.456 -1.756 1.00 . A A . 11 PHE CG 1 1 16 3051 1 1 11 PHE CZ C -0.144 8.192 -3.452 1.00 . A A . 11 PHE CZ 1 1 16 3052 1 1 11 PHE H H -0.039 4.926 0.635 1.00 . A A . 11 PHE H 1 1 16 3053 1 1 11 PHE HA H 1.005 3.828 -1.761 1.00 . A A . 11 PHE HA 1 1 16 3054 1 1 11 PHE HB2 H 1.946 5.952 0.147 1.00 . A A . 11 PHE HB2 1 1 16 3055 1 1 11 PHE HB3 H 2.961 5.432 -1.194 1.00 . A A . 11 PHE HB3 1 1 16 3056 1 1 11 PHE HD1 H -0.184 7.081 -0.269 1.00 . A A . 11 PHE HD1 1 1 16 3057 1 1 11 PHE HD2 H 2.447 6.036 -3.446 1.00 . A A . 11 PHE HD2 1 1 16 3058 1 1 11 PHE HE1 H -1.387 8.620 -1.766 1.00 . A A . 11 PHE HE1 1 1 16 3059 1 1 11 PHE HE2 H 1.249 7.572 -4.949 1.00 . A A . 11 PHE HE2 1 1 16 3060 1 1 11 PHE HZ H -0.669 8.868 -4.110 1.00 . A A . 11 PHE HZ 1 1 16 3061 1 1 11 PHE N N 0.146 4.133 0.090 1.00 . A A . 11 PHE N 1 1 16 3062 1 1 11 PHE O O 2.385 2.756 0.907 1.00 . A A . 11 PHE O 1 1 16 3063 1 1 12 PRO C C 5.364 2.282 0.018 1.00 . A A . 12 PRO C 1 1 16 3064 1 1 12 PRO CA C 4.269 1.680 -0.856 1.00 . A A . 12 PRO CA 1 1 16 3065 1 1 12 PRO CB C 4.831 1.291 -2.226 1.00 . A A . 12 PRO CB 1 1 16 3066 1 1 12 PRO CD C 3.241 3.035 -2.603 1.00 . A A . 12 PRO CD 1 1 16 3067 1 1 12 PRO CG C 4.538 2.460 -3.100 1.00 . A A . 12 PRO CG 1 1 16 3068 1 1 12 PRO HA H 3.863 0.804 -0.370 1.00 . A A . 12 PRO HA 1 1 16 3069 1 1 12 PRO HB2 H 5.895 1.115 -2.144 1.00 . A A . 12 PRO HB2 1 1 16 3070 1 1 12 PRO HB3 H 4.339 0.399 -2.581 1.00 . A A . 12 PRO HB3 1 1 16 3071 1 1 12 PRO HD2 H 3.238 4.109 -2.712 1.00 . A A . 12 PRO HD2 1 1 16 3072 1 1 12 PRO HD3 H 2.407 2.598 -3.133 1.00 . A A . 12 PRO HD3 1 1 16 3073 1 1 12 PRO HG2 H 5.329 3.190 -3.016 1.00 . A A . 12 PRO HG2 1 1 16 3074 1 1 12 PRO HG3 H 4.435 2.134 -4.125 1.00 . A A . 12 PRO HG3 1 1 16 3075 1 1 12 PRO N N 3.220 2.650 -1.182 1.00 . A A . 12 PRO N 1 1 16 3076 1 1 12 PRO O O 5.680 3.467 -0.095 1.00 . A A . 12 PRO O 1 1 16 3077 1 1 13 ASP C C 8.154 0.913 1.803 1.00 . A A . 13 ASP C 1 1 16 3078 1 1 13 ASP CA C 7.001 1.912 1.781 1.00 . A A . 13 ASP CA 1 1 16 3079 1 1 13 ASP CB C 6.456 2.112 3.195 1.00 . A A . 13 ASP CB 1 1 16 3080 1 1 13 ASP CG C 7.468 2.761 4.119 1.00 . A A . 13 ASP CG 1 1 16 3081 1 1 13 ASP H H 5.645 0.526 0.931 1.00 . A A . 13 ASP H 1 1 16 3082 1 1 13 ASP HA H 7.368 2.856 1.409 1.00 . A A . 13 ASP HA 1 1 16 3083 1 1 13 ASP HB2 H 5.581 2.743 3.151 1.00 . A A . 13 ASP HB2 1 1 16 3084 1 1 13 ASP HB3 H 6.182 1.152 3.608 1.00 . A A . 13 ASP HB3 1 1 16 3085 1 1 13 ASP N N 5.940 1.460 0.889 1.00 . A A . 13 ASP N 1 1 16 3086 1 1 13 ASP O O 8.030 -0.180 2.356 1.00 . A A . 13 ASP O 1 1 16 3087 1 1 13 ASP OD1 O 8.501 3.252 3.617 1.00 . A A . 13 ASP OD1 1 1 16 3088 1 1 13 ASP OD2 O 7.227 2.778 5.344 1.00 . A A . 13 ASP OD2 1 1 17 3089 1 1 1 GLY C C 8.759 -0.752 -0.711 1.00 . A A . 1 GLY C 1 1 17 3090 1 1 1 GLY CA C 9.772 0.038 0.094 1.00 . A A . 1 GLY CA 1 1 17 3091 1 1 1 GLY H1 H 9.696 1.585 1.538 1.00 . A A . 1 GLY H1 1 1 17 3092 1 1 1 GLY HA2 H 10.475 0.497 -0.585 1.00 . A A . 1 GLY HA2 1 1 17 3093 1 1 1 GLY HA3 H 10.305 -0.640 0.745 1.00 . A A . 1 GLY HA3 1 1 17 3094 1 1 1 GLY N N 9.154 1.074 0.901 1.00 . A A . 1 GLY N 1 1 17 3095 1 1 1 GLY O O 8.539 -0.474 -1.889 1.00 . A A . 1 GLY O 1 1 17 3096 1 1 2 ARG C C 5.745 -2.008 -0.547 1.00 . A A . 2 ARG C 1 1 17 3097 1 1 2 ARG CA C 7.148 -2.576 -0.738 1.00 . A A . 2 ARG CA 1 1 17 3098 1 1 2 ARG CB C 7.209 -4.007 -0.197 1.00 . A A . 2 ARG CB 1 1 17 3099 1 1 2 ARG CD C 7.891 -5.426 -2.156 1.00 . A A . 2 ARG CD 1 1 17 3100 1 1 2 ARG CG C 8.315 -4.845 -0.815 1.00 . A A . 2 ARG CG 1 1 17 3101 1 1 2 ARG CZ C 9.622 -7.128 -2.543 1.00 . A A . 2 ARG CZ 1 1 17 3102 1 1 2 ARG H H 8.360 -1.915 0.866 1.00 . A A . 2 ARG H 1 1 17 3103 1 1 2 ARG HA H 7.379 -2.590 -1.792 1.00 . A A . 2 ARG HA 1 1 17 3104 1 1 2 ARG HB2 H 7.370 -3.968 0.870 1.00 . A A . 2 ARG HB2 1 1 17 3105 1 1 2 ARG HB3 H 6.265 -4.492 -0.393 1.00 . A A . 2 ARG HB3 1 1 17 3106 1 1 2 ARG HD2 H 7.159 -6.201 -1.982 1.00 . A A . 2 ARG HD2 1 1 17 3107 1 1 2 ARG HD3 H 7.448 -4.640 -2.748 1.00 . A A . 2 ARG HD3 1 1 17 3108 1 1 2 ARG HE H 9.343 -5.508 -3.673 1.00 . A A . 2 ARG HE 1 1 17 3109 1 1 2 ARG HG2 H 9.185 -4.224 -0.965 1.00 . A A . 2 ARG HG2 1 1 17 3110 1 1 2 ARG HG3 H 8.559 -5.654 -0.143 1.00 . A A . 2 ARG HG3 1 1 17 3111 1 1 2 ARG HH11 H 8.437 -7.470 -0.943 1.00 . A A . 2 ARG HH11 1 1 17 3112 1 1 2 ARG HH12 H 9.660 -8.662 -1.227 1.00 . A A . 2 ARG HH12 1 1 17 3113 1 1 2 ARG HH21 H 10.958 -7.071 -4.058 1.00 . A A . 2 ARG HH21 1 1 17 3114 1 1 2 ARG HH22 H 11.095 -8.434 -2.999 1.00 . A A . 2 ARG HH22 1 1 17 3115 1 1 2 ARG N N 8.141 -1.742 -0.073 1.00 . A A . 2 ARG N 1 1 17 3116 1 1 2 ARG NE N 9.019 -5.995 -2.887 1.00 . A A . 2 ARG NE 1 1 17 3117 1 1 2 ARG NH1 N 9.206 -7.809 -1.484 1.00 . A A . 2 ARG NH1 1 1 17 3118 1 1 2 ARG NH2 N 10.642 -7.583 -3.259 1.00 . A A . 2 ARG NH2 1 1 17 3119 1 1 2 ARG O O 5.479 -1.241 0.379 1.00 . A A . 2 ARG O 1 1 17 3120 1 1 3 PRO C C 2.669 -2.520 -0.216 1.00 . A A . 3 PRO C 1 1 17 3121 1 1 3 PRO CA C 3.433 -1.932 -1.397 1.00 . A A . 3 PRO CA 1 1 17 3122 1 1 3 PRO CB C 2.848 -2.437 -2.719 1.00 . A A . 3 PRO CB 1 1 17 3123 1 1 3 PRO CD C 5.071 -3.303 -2.575 1.00 . A A . 3 PRO CD 1 1 17 3124 1 1 3 PRO CG C 3.689 -3.611 -3.082 1.00 . A A . 3 PRO CG 1 1 17 3125 1 1 3 PRO HA H 3.373 -0.854 -1.364 1.00 . A A . 3 PRO HA 1 1 17 3126 1 1 3 PRO HB2 H 1.815 -2.720 -2.572 1.00 . A A . 3 PRO HB2 1 1 17 3127 1 1 3 PRO HB3 H 2.911 -1.660 -3.464 1.00 . A A . 3 PRO HB3 1 1 17 3128 1 1 3 PRO HD2 H 5.561 -4.206 -2.242 1.00 . A A . 3 PRO HD2 1 1 17 3129 1 1 3 PRO HD3 H 5.654 -2.815 -3.342 1.00 . A A . 3 PRO HD3 1 1 17 3130 1 1 3 PRO HG2 H 3.305 -4.500 -2.604 1.00 . A A . 3 PRO HG2 1 1 17 3131 1 1 3 PRO HG3 H 3.703 -3.735 -4.154 1.00 . A A . 3 PRO HG3 1 1 17 3132 1 1 3 PRO N N 4.825 -2.391 -1.445 1.00 . A A . 3 PRO N 1 1 17 3133 1 1 3 PRO O O 3.035 -3.570 0.313 1.00 . A A . 3 PRO O 1 1 17 3134 1 1 4 CYS C C -0.652 -2.537 0.870 1.00 . A A . 4 CYS C 1 1 17 3135 1 1 4 CYS CA C 0.788 -2.291 1.312 1.00 . A A . 4 CYS CA 1 1 17 3136 1 1 4 CYS CB C 0.817 -1.261 2.442 1.00 . A A . 4 CYS CB 1 1 17 3137 1 1 4 CYS H H 1.362 -1.006 -0.269 1.00 . A A . 4 CYS H 1 1 17 3138 1 1 4 CYS HA H 1.204 -3.219 1.671 1.00 . A A . 4 CYS HA 1 1 17 3139 1 1 4 CYS HB2 H 0.039 -1.496 3.154 1.00 . A A . 4 CYS HB2 1 1 17 3140 1 1 4 CYS HB3 H 1.776 -1.309 2.938 1.00 . A A . 4 CYS HB3 1 1 17 3141 1 1 4 CYS N N 1.605 -1.836 0.193 1.00 . A A . 4 CYS N 1 1 17 3142 1 1 4 CYS O O -1.470 -1.617 0.845 1.00 . A A . 4 CYS O 1 1 17 3143 1 1 4 CYS SG S 0.562 0.456 1.891 1.00 . A A . 4 CYS SG 1 1 17 3144 1 1 5 TYR C C -3.324 -3.868 1.168 1.00 . A A . 5 TYR C 1 1 17 3145 1 1 5 TYR CA C -2.293 -4.149 0.079 1.00 . A A . 5 TYR CA 1 1 17 3146 1 1 5 TYR CB C -2.338 -5.628 -0.311 1.00 . A A . 5 TYR CB 1 1 17 3147 1 1 5 TYR CD1 C -0.068 -6.337 -1.162 1.00 . A A . 5 TYR CD1 1 1 17 3148 1 1 5 TYR CD2 C -1.805 -5.978 -2.754 1.00 . A A . 5 TYR CD2 1 1 17 3149 1 1 5 TYR CE1 C 0.804 -6.666 -2.180 1.00 . A A . 5 TYR CE1 1 1 17 3150 1 1 5 TYR CE2 C -0.940 -6.307 -3.779 1.00 . A A . 5 TYR CE2 1 1 17 3151 1 1 5 TYR CG C -1.386 -5.988 -1.430 1.00 . A A . 5 TYR CG 1 1 17 3152 1 1 5 TYR CZ C 0.364 -6.649 -3.488 1.00 . A A . 5 TYR CZ 1 1 17 3153 1 1 5 TYR H H -0.259 -4.472 0.563 1.00 . A A . 5 TYR H 1 1 17 3154 1 1 5 TYR HA H -2.531 -3.551 -0.788 1.00 . A A . 5 TYR HA 1 1 17 3155 1 1 5 TYR HB2 H -2.079 -6.227 0.548 1.00 . A A . 5 TYR HB2 1 1 17 3156 1 1 5 TYR HB3 H -3.338 -5.879 -0.632 1.00 . A A . 5 TYR HB3 1 1 17 3157 1 1 5 TYR HD1 H 0.274 -6.349 -0.137 1.00 . A A . 5 TYR HD1 1 1 17 3158 1 1 5 TYR HD2 H -2.827 -5.708 -2.979 1.00 . A A . 5 TYR HD2 1 1 17 3159 1 1 5 TYR HE1 H 1.825 -6.935 -1.953 1.00 . A A . 5 TYR HE1 1 1 17 3160 1 1 5 TYR HE2 H -1.284 -6.294 -4.803 1.00 . A A . 5 TYR HE2 1 1 17 3161 1 1 5 TYR HH H 1.322 -7.931 -4.553 1.00 . A A . 5 TYR HH 1 1 17 3162 1 1 5 TYR N N -0.954 -3.783 0.523 1.00 . A A . 5 TYR N 1 1 17 3163 1 1 5 TYR O O -3.318 -4.501 2.225 1.00 . A A . 5 TYR O 1 1 17 3164 1 1 5 TYR OH O 1.229 -6.977 -4.506 1.00 . A A . 5 TYR OH 1 1 17 3165 1 1 6 THR C C -6.367 -1.765 1.182 1.00 . A A . 6 THR C 1 1 17 3166 1 1 6 THR CA C -5.246 -2.545 1.860 1.00 . A A . 6 THR CA 1 1 17 3167 1 1 6 THR CB C -4.672 -1.700 3.014 1.00 . A A . 6 THR CB 1 1 17 3168 1 1 6 THR CG2 C -4.247 -2.586 4.174 1.00 . A A . 6 THR CG2 1 1 17 3169 1 1 6 THR H H -4.163 -2.443 0.044 1.00 . A A . 6 THR H 1 1 17 3170 1 1 6 THR HA H -5.654 -3.455 2.275 1.00 . A A . 6 THR HA 1 1 17 3171 1 1 6 THR HB H -5.440 -1.023 3.359 1.00 . A A . 6 THR HB 1 1 17 3172 1 1 6 THR HG1 H -3.861 -0.120 2.156 1.00 . A A . 6 THR HG1 1 1 17 3173 1 1 6 THR HG21 H -3.271 -3.003 3.971 1.00 . A A . 6 THR HG21 1 1 17 3174 1 1 6 THR HG22 H -4.961 -3.388 4.295 1.00 . A A . 6 THR HG22 1 1 17 3175 1 1 6 THR HG23 H -4.207 -2.000 5.079 1.00 . A A . 6 THR HG23 1 1 17 3176 1 1 6 THR N N -4.209 -2.912 0.904 1.00 . A A . 6 THR N 1 1 17 3177 1 1 6 THR O O -6.157 -1.126 0.151 1.00 . A A . 6 THR O 1 1 17 3178 1 1 6 THR OG1 O -3.551 -0.938 2.552 1.00 . A A . 6 THR OG1 1 1 17 3179 1 1 7 LEU C C -8.413 0.365 1.041 1.00 . A A . 7 LEU C 1 1 17 3180 1 1 7 LEU CA C -8.714 -1.119 1.221 1.00 . A A . 7 LEU CA 1 1 17 3181 1 1 7 LEU CB C -9.926 -1.298 2.138 1.00 . A A . 7 LEU CB 1 1 17 3182 1 1 7 LEU CD1 C -9.856 -3.779 2.487 1.00 . A A . 7 LEU CD1 1 1 17 3183 1 1 7 LEU CD2 C -12.017 -2.545 2.734 1.00 . A A . 7 LEU CD2 1 1 17 3184 1 1 7 LEU CG C -10.692 -2.612 1.988 1.00 . A A . 7 LEU CG 1 1 17 3185 1 1 7 LEU H H -7.664 -2.348 2.588 1.00 . A A . 7 LEU H 1 1 17 3186 1 1 7 LEU HA H -8.936 -1.549 0.256 1.00 . A A . 7 LEU HA 1 1 17 3187 1 1 7 LEU HB2 H -9.580 -1.232 3.158 1.00 . A A . 7 LEU HB2 1 1 17 3188 1 1 7 LEU HB3 H -10.612 -0.488 1.939 1.00 . A A . 7 LEU HB3 1 1 17 3189 1 1 7 LEU HD11 H -9.269 -4.177 1.673 1.00 . A A . 7 LEU HD11 1 1 17 3190 1 1 7 LEU HD12 H -10.508 -4.550 2.872 1.00 . A A . 7 LEU HD12 1 1 17 3191 1 1 7 LEU HD13 H -9.198 -3.440 3.274 1.00 . A A . 7 LEU HD13 1 1 17 3192 1 1 7 LEU HD21 H -12.348 -3.545 2.970 1.00 . A A . 7 LEU HD21 1 1 17 3193 1 1 7 LEU HD22 H -12.755 -2.058 2.113 1.00 . A A . 7 LEU HD22 1 1 17 3194 1 1 7 LEU HD23 H -11.887 -1.983 3.647 1.00 . A A . 7 LEU HD23 1 1 17 3195 1 1 7 LEU HG H -10.905 -2.779 0.941 1.00 . A A . 7 LEU HG 1 1 17 3196 1 1 7 LEU N N -7.558 -1.822 1.768 1.00 . A A . 7 LEU N 1 1 17 3197 1 1 7 LEU O O -8.886 0.993 0.093 1.00 . A A . 7 LEU O 1 1 17 3198 1 1 8 GLN C C -6.348 2.607 0.702 1.00 . A A . 8 GLN C 1 1 17 3199 1 1 8 GLN CA C -7.259 2.329 1.894 1.00 . A A . 8 GLN CA 1 1 17 3200 1 1 8 GLN CB C -6.566 2.755 3.189 1.00 . A A . 8 GLN CB 1 1 17 3201 1 1 8 GLN CD C -8.688 3.707 4.175 1.00 . A A . 8 GLN CD 1 1 17 3202 1 1 8 GLN CG C -7.495 2.797 4.391 1.00 . A A . 8 GLN CG 1 1 17 3203 1 1 8 GLN H H -7.278 0.367 2.685 1.00 . A A . 8 GLN H 1 1 17 3204 1 1 8 GLN HA H -8.166 2.902 1.778 1.00 . A A . 8 GLN HA 1 1 17 3205 1 1 8 GLN HB2 H -5.768 2.059 3.402 1.00 . A A . 8 GLN HB2 1 1 17 3206 1 1 8 GLN HB3 H -6.146 3.741 3.053 1.00 . A A . 8 GLN HB3 1 1 17 3207 1 1 8 GLN HE21 H -7.703 5.232 4.987 1.00 . A A . 8 GLN HE21 1 1 17 3208 1 1 8 GLN HE22 H -9.309 5.575 4.450 1.00 . A A . 8 GLN HE22 1 1 17 3209 1 1 8 GLN HG2 H -7.855 1.798 4.587 1.00 . A A . 8 GLN HG2 1 1 17 3210 1 1 8 GLN HG3 H -6.940 3.152 5.247 1.00 . A A . 8 GLN HG3 1 1 17 3211 1 1 8 GLN N N -7.623 0.919 1.954 1.00 . A A . 8 GLN N 1 1 17 3212 1 1 8 GLN NE2 N -8.554 4.965 4.578 1.00 . A A . 8 GLN NE2 1 1 17 3213 1 1 8 GLN O O -6.283 3.731 0.207 1.00 . A A . 8 GLN O 1 1 17 3214 1 1 8 GLN OE1 O -9.719 3.284 3.651 1.00 . A A . 8 GLN OE1 1 1 17 3215 1 1 9 SER C C -3.572 2.628 -0.540 1.00 . A A . 9 SER C 1 1 17 3216 1 1 9 SER CA C -4.737 1.706 -0.885 1.00 . A A . 9 SER CA 1 1 17 3217 1 1 9 SER CB C -5.484 2.244 -2.107 1.00 . A A . 9 SER CB 1 1 17 3218 1 1 9 SER H H -5.743 0.701 0.684 1.00 . A A . 9 SER H 1 1 17 3219 1 1 9 SER HA H -4.349 0.725 -1.116 1.00 . A A . 9 SER HA 1 1 17 3220 1 1 9 SER HB2 H -6.502 1.887 -2.090 1.00 . A A . 9 SER HB2 1 1 17 3221 1 1 9 SER HB3 H -5.482 3.324 -2.079 1.00 . A A . 9 SER HB3 1 1 17 3222 1 1 9 SER HG H -4.724 2.574 -3.882 1.00 . A A . 9 SER HG 1 1 17 3223 1 1 9 SER N N -5.647 1.573 0.246 1.00 . A A . 9 SER N 1 1 17 3224 1 1 9 SER O O -3.200 3.499 -1.326 1.00 . A A . 9 SER O 1 1 17 3225 1 1 9 SER OG O -4.869 1.817 -3.310 1.00 . A A . 9 SER OG 1 1 17 3226 1 1 10 CYS C C -0.684 3.096 0.153 1.00 . A A . 10 CYS C 1 1 17 3227 1 1 10 CYS CA C -1.876 3.242 1.096 1.00 . A A . 10 CYS CA 1 1 17 3228 1 1 10 CYS CB C -1.470 2.840 2.515 1.00 . A A . 10 CYS CB 1 1 17 3229 1 1 10 CYS H H -3.340 1.718 1.227 1.00 . A A . 10 CYS H 1 1 17 3230 1 1 10 CYS HA H -2.192 4.273 1.099 1.00 . A A . 10 CYS HA 1 1 17 3231 1 1 10 CYS HB2 H -0.551 3.348 2.774 1.00 . A A . 10 CYS HB2 1 1 17 3232 1 1 10 CYS HB3 H -2.246 3.141 3.202 1.00 . A A . 10 CYS HB3 1 1 17 3233 1 1 10 CYS N N -2.999 2.429 0.643 1.00 . A A . 10 CYS N 1 1 17 3234 1 1 10 CYS O O -0.520 2.067 -0.503 1.00 . A A . 10 CYS O 1 1 17 3235 1 1 10 CYS SG S -1.195 1.053 2.733 1.00 . A A . 10 CYS SG 1 1 17 3236 1 1 11 PHE C C 2.352 3.118 -0.270 1.00 . A A . 11 PHE C 1 1 17 3237 1 1 11 PHE CA C 1.319 4.122 -0.772 1.00 . A A . 11 PHE CA 1 1 17 3238 1 1 11 PHE CB C 1.940 5.518 -0.842 1.00 . A A . 11 PHE CB 1 1 17 3239 1 1 11 PHE CD1 C 1.551 6.438 -3.144 1.00 . A A . 11 PHE CD1 1 1 17 3240 1 1 11 PHE CD2 C 0.259 7.312 -1.340 1.00 . A A . 11 PHE CD2 1 1 17 3241 1 1 11 PHE CE1 C 0.905 7.286 -4.023 1.00 . A A . 11 PHE CE1 1 1 17 3242 1 1 11 PHE CE2 C -0.391 8.163 -2.215 1.00 . A A . 11 PHE CE2 1 1 17 3243 1 1 11 PHE CG C 1.236 6.441 -1.794 1.00 . A A . 11 PHE CG 1 1 17 3244 1 1 11 PHE CZ C -0.067 8.150 -3.557 1.00 . A A . 11 PHE CZ 1 1 17 3245 1 1 11 PHE H H -0.041 4.926 0.636 1.00 . A A . 11 PHE H 1 1 17 3246 1 1 11 PHE HA H 1.001 3.829 -1.761 1.00 . A A . 11 PHE HA 1 1 17 3247 1 1 11 PHE HB2 H 1.909 5.968 0.140 1.00 . A A . 11 PHE HB2 1 1 17 3248 1 1 11 PHE HB3 H 2.968 5.431 -1.160 1.00 . A A . 11 PHE HB3 1 1 17 3249 1 1 11 PHE HD1 H 2.312 5.762 -3.508 1.00 . A A . 11 PHE HD1 1 1 17 3250 1 1 11 PHE HD2 H 0.004 7.324 -0.291 1.00 . A A . 11 PHE HD2 1 1 17 3251 1 1 11 PHE HE1 H 1.160 7.274 -5.072 1.00 . A A . 11 PHE HE1 1 1 17 3252 1 1 11 PHE HE2 H -1.151 8.837 -1.849 1.00 . A A . 11 PHE HE2 1 1 17 3253 1 1 11 PHE HZ H -0.575 8.813 -4.243 1.00 . A A . 11 PHE HZ 1 1 17 3254 1 1 11 PHE N N 0.144 4.133 0.090 1.00 . A A . 11 PHE N 1 1 17 3255 1 1 11 PHE O O 2.385 2.759 0.908 1.00 . A A . 11 PHE O 1 1 17 3256 1 1 12 PRO C C 5.363 2.287 0.015 1.00 . A A . 12 PRO C 1 1 17 3257 1 1 12 PRO CA C 4.268 1.682 -0.857 1.00 . A A . 12 PRO CA 1 1 17 3258 1 1 12 PRO CB C 4.829 1.294 -2.227 1.00 . A A . 12 PRO CB 1 1 17 3259 1 1 12 PRO CD C 3.236 3.037 -2.604 1.00 . A A . 12 PRO CD 1 1 17 3260 1 1 12 PRO CG C 4.534 2.463 -3.103 1.00 . A A . 12 PRO CG 1 1 17 3261 1 1 12 PRO HA H 3.862 0.808 -0.370 1.00 . A A . 12 PRO HA 1 1 17 3262 1 1 12 PRO HB2 H 5.893 1.118 -2.146 1.00 . A A . 12 PRO HB2 1 1 17 3263 1 1 12 PRO HB3 H 4.337 0.401 -2.582 1.00 . A A . 12 PRO HB3 1 1 17 3264 1 1 12 PRO HD2 H 3.233 4.111 -2.714 1.00 . A A . 12 PRO HD2 1 1 17 3265 1 1 12 PRO HD3 H 2.402 2.599 -3.133 1.00 . A A . 12 PRO HD3 1 1 17 3266 1 1 12 PRO HG2 H 5.324 3.193 -3.020 1.00 . A A . 12 PRO HG2 1 1 17 3267 1 1 12 PRO HG3 H 4.430 2.136 -4.127 1.00 . A A . 12 PRO HG3 1 1 17 3268 1 1 12 PRO N N 3.217 2.652 -1.183 1.00 . A A . 12 PRO N 1 1 17 3269 1 1 12 PRO O O 5.674 3.473 -0.094 1.00 . A A . 12 PRO O 1 1 17 3270 1 1 13 ASP C C 8.157 0.915 1.798 1.00 . A A . 13 ASP C 1 1 17 3271 1 1 13 ASP CA C 7.006 1.916 1.772 1.00 . A A . 13 ASP CA 1 1 17 3272 1 1 13 ASP CB C 6.461 2.123 3.186 1.00 . A A . 13 ASP CB 1 1 17 3273 1 1 13 ASP CG C 5.653 3.398 3.314 1.00 . A A . 13 ASP CG 1 1 17 3274 1 1 13 ASP H H 5.652 0.529 0.921 1.00 . A A . 13 ASP H 1 1 17 3275 1 1 13 ASP HA H 7.374 2.859 1.397 1.00 . A A . 13 ASP HA 1 1 17 3276 1 1 13 ASP HB2 H 5.826 1.288 3.446 1.00 . A A . 13 ASP HB2 1 1 17 3277 1 1 13 ASP HB3 H 7.288 2.171 3.879 1.00 . A A . 13 ASP HB3 1 1 17 3278 1 1 13 ASP N N 5.944 1.463 0.881 1.00 . A A . 13 ASP N 1 1 17 3279 1 1 13 ASP O O 8.032 -0.176 2.355 1.00 . A A . 13 ASP O 1 1 17 3280 1 1 13 ASP OD1 O 4.728 3.598 2.500 1.00 . A A . 13 ASP OD1 1 1 17 3281 1 1 13 ASP OD2 O 5.945 4.198 4.228 1.00 . A A . 13 ASP OD2 1 1 18 3282 1 1 1 GLY C C 8.637 -1.179 -0.608 1.00 . A A . 1 GLY C 1 1 18 3283 1 1 1 GLY CA C 9.534 0.025 -0.401 1.00 . A A . 1 GLY CA 1 1 18 3284 1 1 1 GLY H1 H 9.287 2.011 0.289 1.00 . A A . 1 GLY H1 1 1 18 3285 1 1 1 GLY HA2 H 9.955 0.314 -1.352 1.00 . A A . 1 GLY HA2 1 1 18 3286 1 1 1 GLY HA3 H 10.337 -0.250 0.268 1.00 . A A . 1 GLY HA3 1 1 18 3287 1 1 1 GLY N N 8.823 1.157 0.162 1.00 . A A . 1 GLY N 1 1 18 3288 1 1 1 GLY O O 8.457 -1.642 -1.735 1.00 . A A . 1 GLY O 1 1 18 3289 1 1 2 ARG C C 5.808 -2.452 -0.088 1.00 . A A . 2 ARG C 1 1 18 3290 1 1 2 ARG CA C 7.192 -2.849 0.416 1.00 . A A . 2 ARG CA 1 1 18 3291 1 1 2 ARG CB C 7.076 -3.508 1.791 1.00 . A A . 2 ARG CB 1 1 18 3292 1 1 2 ARG CD C 8.331 -4.687 3.623 1.00 . A A . 2 ARG CD 1 1 18 3293 1 1 2 ARG CG C 8.407 -3.649 2.513 1.00 . A A . 2 ARG CG 1 1 18 3294 1 1 2 ARG CZ C 7.060 -5.095 5.687 1.00 . A A . 2 ARG CZ 1 1 18 3295 1 1 2 ARG H H 8.255 -1.276 1.352 1.00 . A A . 2 ARG H 1 1 18 3296 1 1 2 ARG HA H 7.625 -3.555 -0.277 1.00 . A A . 2 ARG HA 1 1 18 3297 1 1 2 ARG HB2 H 6.419 -2.914 2.408 1.00 . A A . 2 ARG HB2 1 1 18 3298 1 1 2 ARG HB3 H 6.651 -4.492 1.671 1.00 . A A . 2 ARG HB3 1 1 18 3299 1 1 2 ARG HD2 H 8.050 -5.635 3.191 1.00 . A A . 2 ARG HD2 1 1 18 3300 1 1 2 ARG HD3 H 9.306 -4.775 4.081 1.00 . A A . 2 ARG HD3 1 1 18 3301 1 1 2 ARG HE H 6.899 -3.462 4.553 1.00 . A A . 2 ARG HE 1 1 18 3302 1 1 2 ARG HG2 H 9.161 -3.952 1.803 1.00 . A A . 2 ARG HG2 1 1 18 3303 1 1 2 ARG HG3 H 8.675 -2.695 2.942 1.00 . A A . 2 ARG HG3 1 1 18 3304 1 1 2 ARG HH11 H 8.342 -6.569 5.172 1.00 . A A . 2 ARG HH11 1 1 18 3305 1 1 2 ARG HH12 H 7.439 -6.844 6.625 1.00 . A A . 2 ARG HH12 1 1 18 3306 1 1 2 ARG HH21 H 5.705 -3.812 6.465 1.00 . A A . 2 ARG HH21 1 1 18 3307 1 1 2 ARG HH22 H 5.940 -5.276 7.359 1.00 . A A . 2 ARG HH22 1 1 18 3308 1 1 2 ARG N N 8.073 -1.689 0.483 1.00 . A A . 2 ARG N 1 1 18 3309 1 1 2 ARG NE N 7.355 -4.324 4.647 1.00 . A A . 2 ARG NE 1 1 18 3310 1 1 2 ARG NH1 N 7.663 -6.266 5.840 1.00 . A A . 2 ARG NH1 1 1 18 3311 1 1 2 ARG NH2 N 6.161 -4.694 6.577 1.00 . A A . 2 ARG NH2 1 1 18 3312 1 1 2 ARG O O 5.368 -1.312 0.064 1.00 . A A . 2 ARG O 1 1 18 3313 1 1 3 PRO C C 2.719 -2.992 -0.142 1.00 . A A . 3 PRO C 1 1 18 3314 1 1 3 PRO CA C 3.758 -3.187 -1.241 1.00 . A A . 3 PRO CA 1 1 18 3315 1 1 3 PRO CB C 3.471 -4.468 -2.027 1.00 . A A . 3 PRO CB 1 1 18 3316 1 1 3 PRO CD C 5.564 -4.795 -0.919 1.00 . A A . 3 PRO CD 1 1 18 3317 1 1 3 PRO CG C 4.324 -5.507 -1.383 1.00 . A A . 3 PRO CG 1 1 18 3318 1 1 3 PRO HA H 3.736 -2.340 -1.910 1.00 . A A . 3 PRO HA 1 1 18 3319 1 1 3 PRO HB2 H 2.421 -4.715 -1.948 1.00 . A A . 3 PRO HB2 1 1 18 3320 1 1 3 PRO HB3 H 3.737 -4.327 -3.063 1.00 . A A . 3 PRO HB3 1 1 18 3321 1 1 3 PRO HD2 H 5.926 -5.229 0.001 1.00 . A A . 3 PRO HD2 1 1 18 3322 1 1 3 PRO HD3 H 6.328 -4.830 -1.682 1.00 . A A . 3 PRO HD3 1 1 18 3323 1 1 3 PRO HG2 H 3.803 -5.940 -0.543 1.00 . A A . 3 PRO HG2 1 1 18 3324 1 1 3 PRO HG3 H 4.578 -6.270 -2.104 1.00 . A A . 3 PRO HG3 1 1 18 3325 1 1 3 PRO N N 5.103 -3.413 -0.703 1.00 . A A . 3 PRO N 1 1 18 3326 1 1 3 PRO O O 2.823 -3.577 0.936 1.00 . A A . 3 PRO O 1 1 18 3327 1 1 4 CYS C C -0.702 -2.307 -0.013 1.00 . A A . 4 CYS C 1 1 18 3328 1 1 4 CYS CA C 0.657 -1.893 0.542 1.00 . A A . 4 CYS CA 1 1 18 3329 1 1 4 CYS CB C 0.641 -0.407 0.906 1.00 . A A . 4 CYS CB 1 1 18 3330 1 1 4 CYS H H 1.688 -1.728 -1.300 1.00 . A A . 4 CYS H 1 1 18 3331 1 1 4 CYS HA H 0.861 -2.471 1.430 1.00 . A A . 4 CYS HA 1 1 18 3332 1 1 4 CYS HB2 H 1.602 -0.135 1.317 1.00 . A A . 4 CYS HB2 1 1 18 3333 1 1 4 CYS HB3 H 0.460 0.172 0.012 1.00 . A A . 4 CYS HB3 1 1 18 3334 1 1 4 CYS N N 1.716 -2.166 -0.422 1.00 . A A . 4 CYS N 1 1 18 3335 1 1 4 CYS O O -1.344 -1.552 -0.743 1.00 . A A . 4 CYS O 1 1 18 3336 1 1 4 CYS SG S -0.632 0.045 2.128 1.00 . A A . 4 CYS SG 1 1 18 3337 1 1 5 TYR C C -3.481 -3.904 0.964 1.00 . A A . 5 TYR C 1 1 18 3338 1 1 5 TYR CA C -2.419 -4.029 -0.124 1.00 . A A . 5 TYR CA 1 1 18 3339 1 1 5 TYR CB C -2.279 -5.491 -0.550 1.00 . A A . 5 TYR CB 1 1 18 3340 1 1 5 TYR CD1 C -1.161 -5.032 -2.768 1.00 . A A . 5 TYR CD1 1 1 18 3341 1 1 5 TYR CD2 C -0.164 -6.638 -1.315 1.00 . A A . 5 TYR CD2 1 1 18 3342 1 1 5 TYR CE1 C -0.160 -5.243 -3.696 1.00 . A A . 5 TYR CE1 1 1 18 3343 1 1 5 TYR CE2 C 0.842 -6.853 -2.238 1.00 . A A . 5 TYR CE2 1 1 18 3344 1 1 5 TYR CG C -1.181 -5.724 -1.564 1.00 . A A . 5 TYR CG 1 1 18 3345 1 1 5 TYR CZ C 0.840 -6.153 -3.427 1.00 . A A . 5 TYR CZ 1 1 18 3346 1 1 5 TYR H H -0.580 -4.069 0.924 1.00 . A A . 5 TYR H 1 1 18 3347 1 1 5 TYR HA H -2.724 -3.443 -0.978 1.00 . A A . 5 TYR HA 1 1 18 3348 1 1 5 TYR HB2 H -2.062 -6.093 0.318 1.00 . A A . 5 TYR HB2 1 1 18 3349 1 1 5 TYR HB3 H -3.210 -5.822 -0.988 1.00 . A A . 5 TYR HB3 1 1 18 3350 1 1 5 TYR HD1 H -1.947 -4.320 -2.976 1.00 . A A . 5 TYR HD1 1 1 18 3351 1 1 5 TYR HD2 H -0.164 -7.184 -0.383 1.00 . A A . 5 TYR HD2 1 1 18 3352 1 1 5 TYR HE1 H -0.162 -4.695 -4.627 1.00 . A A . 5 TYR HE1 1 1 18 3353 1 1 5 TYR HE2 H 1.626 -7.567 -2.027 1.00 . A A . 5 TYR HE2 1 1 18 3354 1 1 5 TYR HH H 1.612 -7.120 -4.898 1.00 . A A . 5 TYR HH 1 1 18 3355 1 1 5 TYR N N -1.136 -3.512 0.340 1.00 . A A . 5 TYR N 1 1 18 3356 1 1 5 TYR O O -3.463 -4.636 1.955 1.00 . A A . 5 TYR O 1 1 18 3357 1 1 5 TYR OH O 1.839 -6.366 -4.348 1.00 . A A . 5 TYR OH 1 1 18 3358 1 1 6 THR C C -6.653 -2.016 1.093 1.00 . A A . 6 THR C 1 1 18 3359 1 1 6 THR CA C -5.479 -2.748 1.735 1.00 . A A . 6 THR CA 1 1 18 3360 1 1 6 THR CB C -4.985 -1.937 2.947 1.00 . A A . 6 THR CB 1 1 18 3361 1 1 6 THR CG2 C -4.435 -2.858 4.026 1.00 . A A . 6 THR CG2 1 1 18 3362 1 1 6 THR H H -4.370 -2.419 -0.038 1.00 . A A . 6 THR H 1 1 18 3363 1 1 6 THR HA H -5.818 -3.712 2.087 1.00 . A A . 6 THR HA 1 1 18 3364 1 1 6 THR HB H -5.819 -1.386 3.357 1.00 . A A . 6 THR HB 1 1 18 3365 1 1 6 THR HG1 H -4.167 -0.692 1.655 1.00 . A A . 6 THR HG1 1 1 18 3366 1 1 6 THR HG21 H -4.381 -2.323 4.964 1.00 . A A . 6 THR HG21 1 1 18 3367 1 1 6 THR HG22 H -3.448 -3.193 3.744 1.00 . A A . 6 THR HG22 1 1 18 3368 1 1 6 THR HG23 H -5.087 -3.711 4.137 1.00 . A A . 6 THR HG23 1 1 18 3369 1 1 6 THR N N -4.408 -2.971 0.772 1.00 . A A . 6 THR N 1 1 18 3370 1 1 6 THR O O -6.595 -1.637 -0.078 1.00 . A A . 6 THR O 1 1 18 3371 1 1 6 THR OG1 O -3.970 -1.014 2.539 1.00 . A A . 6 THR OG1 1 1 18 3372 1 1 7 LEU C C -8.584 0.319 1.019 1.00 . A A . 7 LEU C 1 1 18 3373 1 1 7 LEU CA C -8.903 -1.130 1.372 1.00 . A A . 7 LEU CA 1 1 18 3374 1 1 7 LEU CB C -10.016 -1.180 2.419 1.00 . A A . 7 LEU CB 1 1 18 3375 1 1 7 LEU CD1 C -10.342 -3.604 2.966 1.00 . A A . 7 LEU CD1 1 1 18 3376 1 1 7 LEU CD2 C -12.299 -2.045 2.994 1.00 . A A . 7 LEU CD2 1 1 18 3377 1 1 7 LEU CG C -10.969 -2.374 2.330 1.00 . A A . 7 LEU CG 1 1 18 3378 1 1 7 LEU H H -7.702 -2.143 2.789 1.00 . A A . 7 LEU H 1 1 18 3379 1 1 7 LEU HA H -9.235 -1.641 0.480 1.00 . A A . 7 LEU HA 1 1 18 3380 1 1 7 LEU HB2 H -9.554 -1.198 3.393 1.00 . A A . 7 LEU HB2 1 1 18 3381 1 1 7 LEU HB3 H -10.605 -0.278 2.318 1.00 . A A . 7 LEU HB3 1 1 18 3382 1 1 7 LEU HD11 H -9.283 -3.444 3.093 1.00 . A A . 7 LEU HD11 1 1 18 3383 1 1 7 LEU HD12 H -10.503 -4.460 2.327 1.00 . A A . 7 LEU HD12 1 1 18 3384 1 1 7 LEU HD13 H -10.798 -3.783 3.929 1.00 . A A . 7 LEU HD13 1 1 18 3385 1 1 7 LEU HD21 H -12.228 -2.240 4.055 1.00 . A A . 7 LEU HD21 1 1 18 3386 1 1 7 LEU HD22 H -13.075 -2.662 2.567 1.00 . A A . 7 LEU HD22 1 1 18 3387 1 1 7 LEU HD23 H -12.534 -1.004 2.834 1.00 . A A . 7 LEU HD23 1 1 18 3388 1 1 7 LEU HG H -11.160 -2.596 1.289 1.00 . A A . 7 LEU HG 1 1 18 3389 1 1 7 LEU N N -7.715 -1.818 1.866 1.00 . A A . 7 LEU N 1 1 18 3390 1 1 7 LEU O O -9.125 0.866 0.058 1.00 . A A . 7 LEU O 1 1 18 3391 1 1 8 GLN C C -6.159 2.401 0.577 1.00 . A A . 8 GLN C 1 1 18 3392 1 1 8 GLN CA C -7.313 2.319 1.570 1.00 . A A . 8 GLN CA 1 1 18 3393 1 1 8 GLN CB C -6.915 2.986 2.888 1.00 . A A . 8 GLN CB 1 1 18 3394 1 1 8 GLN CD C -7.588 3.456 5.278 1.00 . A A . 8 GLN CD 1 1 18 3395 1 1 8 GLN CG C -8.060 3.102 3.882 1.00 . A A . 8 GLN CG 1 1 18 3396 1 1 8 GLN H H -7.308 0.444 2.553 1.00 . A A . 8 GLN H 1 1 18 3397 1 1 8 GLN HA H -8.164 2.839 1.158 1.00 . A A . 8 GLN HA 1 1 18 3398 1 1 8 GLN HB2 H -6.127 2.408 3.347 1.00 . A A . 8 GLN HB2 1 1 18 3399 1 1 8 GLN HB3 H -6.547 3.979 2.679 1.00 . A A . 8 GLN HB3 1 1 18 3400 1 1 8 GLN HE21 H -9.236 4.524 5.592 1.00 . A A . 8 GLN HE21 1 1 18 3401 1 1 8 GLN HE22 H -8.113 4.473 6.903 1.00 . A A . 8 GLN HE22 1 1 18 3402 1 1 8 GLN HG2 H -8.738 3.872 3.542 1.00 . A A . 8 GLN HG2 1 1 18 3403 1 1 8 GLN HG3 H -8.582 2.158 3.923 1.00 . A A . 8 GLN HG3 1 1 18 3404 1 1 8 GLN N N -7.703 0.934 1.802 1.00 . A A . 8 GLN N 1 1 18 3405 1 1 8 GLN NE2 N -8.393 4.230 5.997 1.00 . A A . 8 GLN NE2 1 1 18 3406 1 1 8 GLN O O -5.978 3.415 -0.096 1.00 . A A . 8 GLN O 1 1 18 3407 1 1 8 GLN OE1 O -6.512 3.038 5.706 1.00 . A A . 8 GLN OE1 1 1 18 3408 1 1 9 SER C C -3.256 2.402 -0.113 1.00 . A A . 9 SER C 1 1 18 3409 1 1 9 SER CA C -4.242 1.279 -0.417 1.00 . A A . 9 SER CA 1 1 18 3410 1 1 9 SER CB C -4.716 1.378 -1.868 1.00 . A A . 9 SER CB 1 1 18 3411 1 1 9 SER H H -5.577 0.549 1.055 1.00 . A A . 9 SER H 1 1 18 3412 1 1 9 SER HA H -3.744 0.331 -0.274 1.00 . A A . 9 SER HA 1 1 18 3413 1 1 9 SER HB2 H -4.834 2.417 -2.135 1.00 . A A . 9 SER HB2 1 1 18 3414 1 1 9 SER HB3 H -3.980 0.922 -2.515 1.00 . A A . 9 SER HB3 1 1 18 3415 1 1 9 SER HG H -5.797 -0.208 -2.257 1.00 . A A . 9 SER HG 1 1 18 3416 1 1 9 SER N N -5.381 1.326 0.492 1.00 . A A . 9 SER N 1 1 18 3417 1 1 9 SER O O -3.054 3.304 -0.927 1.00 . A A . 9 SER O 1 1 18 3418 1 1 9 SER OG O -5.955 0.716 -2.047 1.00 . A A . 9 SER OG 1 1 18 3419 1 1 10 CYS C C -0.490 3.394 0.528 1.00 . A A . 10 CYS C 1 1 18 3420 1 1 10 CYS CA C -1.682 3.355 1.481 1.00 . A A . 10 CYS CA 1 1 18 3421 1 1 10 CYS CB C -1.201 3.077 2.906 1.00 . A A . 10 CYS CB 1 1 18 3422 1 1 10 CYS H H -2.849 1.600 1.673 1.00 . A A . 10 CYS H 1 1 18 3423 1 1 10 CYS HA H -2.176 4.314 1.456 1.00 . A A . 10 CYS HA 1 1 18 3424 1 1 10 CYS HB2 H -0.764 3.979 3.312 1.00 . A A . 10 CYS HB2 1 1 18 3425 1 1 10 CYS HB3 H -2.046 2.790 3.513 1.00 . A A . 10 CYS HB3 1 1 18 3426 1 1 10 CYS N N -2.646 2.343 1.066 1.00 . A A . 10 CYS N 1 1 18 3427 1 1 10 CYS O O -0.145 2.387 -0.092 1.00 . A A . 10 CYS O 1 1 18 3428 1 1 10 CYS SG S 0.046 1.756 3.026 1.00 . A A . 10 CYS SG 1 1 18 3429 1 1 11 PHE C C 2.341 3.663 -0.186 1.00 . A A . 11 PHE C 1 1 18 3430 1 1 11 PHE CA C 1.288 4.731 -0.459 1.00 . A A . 11 PHE CA 1 1 18 3431 1 1 11 PHE CB C 1.896 6.123 -0.273 1.00 . A A . 11 PHE CB 1 1 18 3432 1 1 11 PHE CD1 C -0.102 7.404 -1.087 1.00 . A A . 11 PHE CD1 1 1 18 3433 1 1 11 PHE CD2 C 2.034 7.934 -2.003 1.00 . A A . 11 PHE CD2 1 1 18 3434 1 1 11 PHE CE1 C -0.687 8.371 -1.883 1.00 . A A . 11 PHE CE1 1 1 18 3435 1 1 11 PHE CE2 C 1.455 8.903 -2.801 1.00 . A A . 11 PHE CE2 1 1 18 3436 1 1 11 PHE CG C 1.263 7.175 -1.138 1.00 . A A . 11 PHE CG 1 1 18 3437 1 1 11 PHE CZ C 0.092 9.122 -2.740 1.00 . A A . 11 PHE CZ 1 1 18 3438 1 1 11 PHE H H -0.188 5.327 0.938 1.00 . A A . 11 PHE H 1 1 18 3439 1 1 11 PHE HA H 0.946 4.631 -1.478 1.00 . A A . 11 PHE HA 1 1 18 3440 1 1 11 PHE HB2 H 1.776 6.425 0.757 1.00 . A A . 11 PHE HB2 1 1 18 3441 1 1 11 PHE HB3 H 2.948 6.082 -0.512 1.00 . A A . 11 PHE HB3 1 1 18 3442 1 1 11 PHE HD1 H -0.713 6.817 -0.417 1.00 . A A . 11 PHE HD1 1 1 18 3443 1 1 11 PHE HD2 H 3.101 7.765 -2.051 1.00 . A A . 11 PHE HD2 1 1 18 3444 1 1 11 PHE HE1 H -1.753 8.540 -1.833 1.00 . A A . 11 PHE HE1 1 1 18 3445 1 1 11 PHE HE2 H 2.068 9.489 -3.470 1.00 . A A . 11 PHE HE2 1 1 18 3446 1 1 11 PHE HZ H -0.362 9.878 -3.363 1.00 . A A . 11 PHE HZ 1 1 18 3447 1 1 11 PHE N N 0.134 4.560 0.417 1.00 . A A . 11 PHE N 1 1 18 3448 1 1 11 PHE O O 2.415 3.091 0.902 1.00 . A A . 11 PHE O 1 1 18 3449 1 1 12 PRO C C 5.363 2.825 -0.157 1.00 . A A . 12 PRO C 1 1 18 3450 1 1 12 PRO CA C 4.242 2.382 -1.091 1.00 . A A . 12 PRO CA 1 1 18 3451 1 1 12 PRO CB C 4.759 2.261 -2.527 1.00 . A A . 12 PRO CB 1 1 18 3452 1 1 12 PRO CD C 3.147 4.026 -2.522 1.00 . A A . 12 PRO CD 1 1 18 3453 1 1 12 PRO CG C 4.430 3.568 -3.160 1.00 . A A . 12 PRO CG 1 1 18 3454 1 1 12 PRO HA H 3.858 1.427 -0.763 1.00 . A A . 12 PRO HA 1 1 18 3455 1 1 12 PRO HB2 H 5.825 2.084 -2.514 1.00 . A A . 12 PRO HB2 1 1 18 3456 1 1 12 PRO HB3 H 4.259 1.444 -3.026 1.00 . A A . 12 PRO HB3 1 1 18 3457 1 1 12 PRO HD2 H 3.135 5.101 -2.430 1.00 . A A . 12 PRO HD2 1 1 18 3458 1 1 12 PRO HD3 H 2.298 3.685 -3.095 1.00 . A A . 12 PRO HD3 1 1 18 3459 1 1 12 PRO HG2 H 5.219 4.278 -2.968 1.00 . A A . 12 PRO HG2 1 1 18 3460 1 1 12 PRO HG3 H 4.293 3.436 -4.223 1.00 . A A . 12 PRO HG3 1 1 18 3461 1 1 12 PRO N N 3.177 3.383 -1.197 1.00 . A A . 12 PRO N 1 1 18 3462 1 1 12 PRO O O 5.703 4.007 -0.096 1.00 . A A . 12 PRO O 1 1 18 3463 1 1 13 ASP C C 8.166 1.171 1.324 1.00 . A A . 13 ASP C 1 1 18 3464 1 1 13 ASP CA C 7.020 2.161 1.499 1.00 . A A . 13 ASP CA 1 1 18 3465 1 1 13 ASP CB C 6.509 2.121 2.939 1.00 . A A . 13 ASP CB 1 1 18 3466 1 1 13 ASP CG C 5.885 3.435 3.369 1.00 . A A . 13 ASP CG 1 1 18 3467 1 1 13 ASP H H 5.620 0.946 0.475 1.00 . A A . 13 ASP H 1 1 18 3468 1 1 13 ASP HA H 7.383 3.154 1.283 1.00 . A A . 13 ASP HA 1 1 18 3469 1 1 13 ASP HB2 H 5.763 1.345 3.029 1.00 . A A . 13 ASP HB2 1 1 18 3470 1 1 13 ASP HB3 H 7.334 1.900 3.601 1.00 . A A . 13 ASP HB3 1 1 18 3471 1 1 13 ASP N N 5.935 1.869 0.568 1.00 . A A . 13 ASP N 1 1 18 3472 1 1 13 ASP O O 8.488 0.411 2.240 1.00 . A A . 13 ASP O 1 1 18 3473 1 1 13 ASP OD1 O 5.432 4.194 2.487 1.00 . A A . 13 ASP OD1 1 1 18 3474 1 1 13 ASP OD2 O 5.851 3.703 4.588 1.00 . A A . 13 ASP OD2 1 1 19 3475 1 1 1 GLY C C 8.749 -0.738 -0.721 1.00 . A A . 1 GLY C 1 1 19 3476 1 1 1 GLY CA C 9.761 0.062 0.075 1.00 . A A . 1 GLY CA 1 1 19 3477 1 1 1 GLY H1 H 9.496 2.006 0.875 1.00 . A A . 1 GLY H1 1 1 19 3478 1 1 1 GLY HA2 H 10.455 0.527 -0.608 1.00 . A A . 1 GLY HA2 1 1 19 3479 1 1 1 GLY HA3 H 10.304 -0.609 0.723 1.00 . A A . 1 GLY HA3 1 1 19 3480 1 1 1 GLY N N 9.139 1.093 0.886 1.00 . A A . 1 GLY N 1 1 19 3481 1 1 1 GLY O O 8.526 -0.469 -1.901 1.00 . A A . 1 GLY O 1 1 19 3482 1 1 2 ARG C C 5.742 -2.005 -0.545 1.00 . A A . 2 ARG C 1 1 19 3483 1 1 2 ARG CA C 7.147 -2.570 -0.732 1.00 . A A . 2 ARG CA 1 1 19 3484 1 1 2 ARG CB C 7.213 -3.995 -0.181 1.00 . A A . 2 ARG CB 1 1 19 3485 1 1 2 ARG CD C 8.158 -6.305 -0.478 1.00 . A A . 2 ARG CD 1 1 19 3486 1 1 2 ARG CG C 8.342 -4.824 -0.770 1.00 . A A . 2 ARG CG 1 1 19 3487 1 1 2 ARG CZ C 10.293 -6.809 0.632 1.00 . A A . 2 ARG CZ 1 1 19 3488 1 1 2 ARG H H 8.358 -1.891 0.865 1.00 . A A . 2 ARG H 1 1 19 3489 1 1 2 ARG HA H 7.376 -2.591 -1.787 1.00 . A A . 2 ARG HA 1 1 19 3490 1 1 2 ARG HB2 H 7.351 -3.948 0.890 1.00 . A A . 2 ARG HB2 1 1 19 3491 1 1 2 ARG HB3 H 6.281 -4.494 -0.394 1.00 . A A . 2 ARG HB3 1 1 19 3492 1 1 2 ARG HD2 H 7.617 -6.410 0.450 1.00 . A A . 2 ARG HD2 1 1 19 3493 1 1 2 ARG HD3 H 7.586 -6.747 -1.279 1.00 . A A . 2 ARG HD3 1 1 19 3494 1 1 2 ARG HE H 9.663 -7.649 -1.064 1.00 . A A . 2 ARG HE 1 1 19 3495 1 1 2 ARG HG2 H 8.363 -4.679 -1.840 1.00 . A A . 2 ARG HG2 1 1 19 3496 1 1 2 ARG HG3 H 9.279 -4.495 -0.342 1.00 . A A . 2 ARG HG3 1 1 19 3497 1 1 2 ARG HH11 H 9.151 -5.434 1.572 1.00 . A A . 2 ARG HH11 1 1 19 3498 1 1 2 ARG HH12 H 10.658 -5.800 2.344 1.00 . A A . 2 ARG HH12 1 1 19 3499 1 1 2 ARG HH21 H 11.651 -8.139 -0.057 1.00 . A A . 2 ARG HH21 1 1 19 3500 1 1 2 ARG HH22 H 12.079 -7.337 1.416 1.00 . A A . 2 ARG HH22 1 1 19 3501 1 1 2 ARG N N 8.137 -1.725 -0.076 1.00 . A A . 2 ARG N 1 1 19 3502 1 1 2 ARG NE N 9.435 -7.004 -0.363 1.00 . A A . 2 ARG NE 1 1 19 3503 1 1 2 ARG NH1 N 10.011 -5.943 1.595 1.00 . A A . 2 ARG NH1 1 1 19 3504 1 1 2 ARG NH2 N 11.435 -7.484 0.666 1.00 . A A . 2 ARG NH2 1 1 19 3505 1 1 2 ARG O O 5.473 -1.238 0.379 1.00 . A A . 2 ARG O 1 1 19 3506 1 1 3 PRO C C 2.666 -2.526 -0.217 1.00 . A A . 3 PRO C 1 1 19 3507 1 1 3 PRO CA C 3.431 -1.937 -1.398 1.00 . A A . 3 PRO CA 1 1 19 3508 1 1 3 PRO CB C 2.848 -2.446 -2.719 1.00 . A A . 3 PRO CB 1 1 19 3509 1 1 3 PRO CD C 5.074 -3.304 -2.571 1.00 . A A . 3 PRO CD 1 1 19 3510 1 1 3 PRO CG C 3.694 -3.618 -3.079 1.00 . A A . 3 PRO CG 1 1 19 3511 1 1 3 PRO HA H 3.367 -0.859 -1.366 1.00 . A A . 3 PRO HA 1 1 19 3512 1 1 3 PRO HB2 H 1.816 -2.732 -2.574 1.00 . A A . 3 PRO HB2 1 1 19 3513 1 1 3 PRO HB3 H 2.910 -1.669 -3.467 1.00 . A A . 3 PRO HB3 1 1 19 3514 1 1 3 PRO HD2 H 5.566 -4.206 -2.236 1.00 . A A . 3 PRO HD2 1 1 19 3515 1 1 3 PRO HD3 H 5.657 -2.817 -3.339 1.00 . A A . 3 PRO HD3 1 1 19 3516 1 1 3 PRO HG2 H 3.312 -4.508 -2.602 1.00 . A A . 3 PRO HG2 1 1 19 3517 1 1 3 PRO HG3 H 3.709 -3.744 -4.152 1.00 . A A . 3 PRO HG3 1 1 19 3518 1 1 3 PRO N N 4.823 -2.392 -1.443 1.00 . A A . 3 PRO N 1 1 19 3519 1 1 3 PRO O O 3.032 -3.576 0.311 1.00 . A A . 3 PRO O 1 1 19 3520 1 1 4 CYS C C -0.654 -2.541 0.871 1.00 . A A . 4 CYS C 1 1 19 3521 1 1 4 CYS CA C 0.787 -2.298 1.312 1.00 . A A . 4 CYS CA 1 1 19 3522 1 1 4 CYS CB C 0.817 -1.268 2.444 1.00 . A A . 4 CYS CB 1 1 19 3523 1 1 4 CYS H H 1.361 -1.011 -0.268 1.00 . A A . 4 CYS H 1 1 19 3524 1 1 4 CYS HA H 1.202 -3.226 1.670 1.00 . A A . 4 CYS HA 1 1 19 3525 1 1 4 CYS HB2 H 0.037 -1.503 3.155 1.00 . A A . 4 CYS HB2 1 1 19 3526 1 1 4 CYS HB3 H 1.775 -1.319 2.940 1.00 . A A . 4 CYS HB3 1 1 19 3527 1 1 4 CYS N N 1.604 -1.843 0.193 1.00 . A A . 4 CYS N 1 1 19 3528 1 1 4 CYS O O -1.471 -1.621 0.848 1.00 . A A . 4 CYS O 1 1 19 3529 1 1 4 CYS SG S 0.566 0.450 1.895 1.00 . A A . 4 CYS SG 1 1 19 3530 1 1 5 TYR C C -3.326 -3.869 1.168 1.00 . A A . 5 TYR C 1 1 19 3531 1 1 5 TYR CA C -2.296 -4.151 0.079 1.00 . A A . 5 TYR CA 1 1 19 3532 1 1 5 TYR CB C -2.343 -5.630 -0.311 1.00 . A A . 5 TYR CB 1 1 19 3533 1 1 5 TYR CD1 C -1.243 -5.768 -2.580 1.00 . A A . 5 TYR CD1 1 1 19 3534 1 1 5 TYR CD2 C -0.110 -6.736 -0.721 1.00 . A A . 5 TYR CD2 1 1 19 3535 1 1 5 TYR CE1 C -0.212 -6.152 -3.415 1.00 . A A . 5 TYR CE1 1 1 19 3536 1 1 5 TYR CE2 C 0.927 -7.124 -1.548 1.00 . A A . 5 TYR CE2 1 1 19 3537 1 1 5 TYR CG C -1.211 -6.052 -1.220 1.00 . A A . 5 TYR CG 1 1 19 3538 1 1 5 TYR CZ C 0.870 -6.829 -2.895 1.00 . A A . 5 TYR CZ 1 1 19 3539 1 1 5 TYR H H -0.261 -4.477 0.561 1.00 . A A . 5 TYR H 1 1 19 3540 1 1 5 TYR HA H -2.533 -3.554 -0.789 1.00 . A A . 5 TYR HA 1 1 19 3541 1 1 5 TYR HB2 H -2.291 -6.233 0.583 1.00 . A A . 5 TYR HB2 1 1 19 3542 1 1 5 TYR HB3 H -3.272 -5.832 -0.822 1.00 . A A . 5 TYR HB3 1 1 19 3543 1 1 5 TYR HD1 H -2.093 -5.237 -2.985 1.00 . A A . 5 TYR HD1 1 1 19 3544 1 1 5 TYR HD2 H -0.070 -6.966 0.334 1.00 . A A . 5 TYR HD2 1 1 19 3545 1 1 5 TYR HE1 H -0.256 -5.922 -4.470 1.00 . A A . 5 TYR HE1 1 1 19 3546 1 1 5 TYR HE2 H 1.774 -7.655 -1.141 1.00 . A A . 5 TYR HE2 1 1 19 3547 1 1 5 TYR HH H 2.739 -7.032 -3.294 1.00 . A A . 5 TYR HH 1 1 19 3548 1 1 5 TYR N N -0.956 -3.786 0.521 1.00 . A A . 5 TYR N 1 1 19 3549 1 1 5 TYR O O -3.321 -4.501 2.224 1.00 . A A . 5 TYR O 1 1 19 3550 1 1 5 TYR OH O 1.900 -7.214 -3.722 1.00 . A A . 5 TYR OH 1 1 19 3551 1 1 6 THR C C -6.369 -1.763 1.181 1.00 . A A . 6 THR C 1 1 19 3552 1 1 6 THR CA C -5.248 -2.544 1.859 1.00 . A A . 6 THR CA 1 1 19 3553 1 1 6 THR CB C -4.673 -1.701 3.012 1.00 . A A . 6 THR CB 1 1 19 3554 1 1 6 THR CG2 C -4.251 -2.586 4.174 1.00 . A A . 6 THR CG2 1 1 19 3555 1 1 6 THR H H -4.165 -2.445 0.043 1.00 . A A . 6 THR H 1 1 19 3556 1 1 6 THR HA H -5.656 -3.454 2.275 1.00 . A A . 6 THR HA 1 1 19 3557 1 1 6 THR HB H -5.440 -1.020 3.357 1.00 . A A . 6 THR HB 1 1 19 3558 1 1 6 THR HG1 H -3.780 -0.009 2.532 1.00 . A A . 6 THR HG1 1 1 19 3559 1 1 6 THR HG21 H -4.916 -3.435 4.240 1.00 . A A . 6 THR HG21 1 1 19 3560 1 1 6 THR HG22 H -4.298 -2.022 5.093 1.00 . A A . 6 THR HG22 1 1 19 3561 1 1 6 THR HG23 H -3.242 -2.933 4.014 1.00 . A A . 6 THR HG23 1 1 19 3562 1 1 6 THR N N -4.212 -2.913 0.902 1.00 . A A . 6 THR N 1 1 19 3563 1 1 6 THR O O -6.158 -1.125 0.149 1.00 . A A . 6 THR O 1 1 19 3564 1 1 6 THR OG1 O -3.550 -0.942 2.552 1.00 . A A . 6 THR OG1 1 1 19 3565 1 1 7 LEU C C -8.411 0.371 1.040 1.00 . A A . 7 LEU C 1 1 19 3566 1 1 7 LEU CA C -8.714 -1.113 1.221 1.00 . A A . 7 LEU CA 1 1 19 3567 1 1 7 LEU CB C -9.925 -1.290 2.139 1.00 . A A . 7 LEU CB 1 1 19 3568 1 1 7 LEU CD1 C -10.050 -3.695 2.834 1.00 . A A . 7 LEU CD1 1 1 19 3569 1 1 7 LEU CD2 C -12.151 -2.416 2.382 1.00 . A A . 7 LEU CD2 1 1 19 3570 1 1 7 LEU CG C -10.693 -2.604 1.992 1.00 . A A . 7 LEU CG 1 1 19 3571 1 1 7 LEU H H -7.665 -2.342 2.589 1.00 . A A . 7 LEU H 1 1 19 3572 1 1 7 LEU HA H -8.938 -1.543 0.256 1.00 . A A . 7 LEU HA 1 1 19 3573 1 1 7 LEU HB2 H -9.580 -1.222 3.160 1.00 . A A . 7 LEU HB2 1 1 19 3574 1 1 7 LEU HB3 H -10.612 -0.480 1.938 1.00 . A A . 7 LEU HB3 1 1 19 3575 1 1 7 LEU HD11 H -9.499 -4.367 2.193 1.00 . A A . 7 LEU HD11 1 1 19 3576 1 1 7 LEU HD12 H -10.817 -4.245 3.357 1.00 . A A . 7 LEU HD12 1 1 19 3577 1 1 7 LEU HD13 H -9.377 -3.247 3.550 1.00 . A A . 7 LEU HD13 1 1 19 3578 1 1 7 LEU HD21 H -12.746 -3.202 1.939 1.00 . A A . 7 LEU HD21 1 1 19 3579 1 1 7 LEU HD22 H -12.498 -1.457 2.026 1.00 . A A . 7 LEU HD22 1 1 19 3580 1 1 7 LEU HD23 H -12.244 -2.457 3.457 1.00 . A A . 7 LEU HD23 1 1 19 3581 1 1 7 LEU HG H -10.660 -2.919 0.958 1.00 . A A . 7 LEU HG 1 1 19 3582 1 1 7 LEU N N -7.559 -1.817 1.768 1.00 . A A . 7 LEU N 1 1 19 3583 1 1 7 LEU O O -8.883 0.998 0.091 1.00 . A A . 7 LEU O 1 1 19 3584 1 1 8 GLN C C -6.343 2.609 0.700 1.00 . A A . 8 GLN C 1 1 19 3585 1 1 8 GLN CA C -7.254 2.334 1.892 1.00 . A A . 8 GLN CA 1 1 19 3586 1 1 8 GLN CB C -6.561 2.759 3.187 1.00 . A A . 8 GLN CB 1 1 19 3587 1 1 8 GLN CD C -7.269 1.208 5.052 1.00 . A A . 8 GLN CD 1 1 19 3588 1 1 8 GLN CG C -7.423 2.580 4.426 1.00 . A A . 8 GLN CG 1 1 19 3589 1 1 8 GLN H H -7.275 0.372 2.685 1.00 . A A . 8 GLN H 1 1 19 3590 1 1 8 GLN HA H -8.160 2.907 1.774 1.00 . A A . 8 GLN HA 1 1 19 3591 1 1 8 GLN HB2 H -5.664 2.172 3.312 1.00 . A A . 8 GLN HB2 1 1 19 3592 1 1 8 GLN HB3 H -6.290 3.802 3.112 1.00 . A A . 8 GLN HB3 1 1 19 3593 1 1 8 GLN HE21 H -9.045 1.379 5.929 1.00 . A A . 8 GLN HE21 1 1 19 3594 1 1 8 GLN HE22 H -8.198 -0.095 6.230 1.00 . A A . 8 GLN HE22 1 1 19 3595 1 1 8 GLN HG2 H -7.143 3.324 5.156 1.00 . A A . 8 GLN HG2 1 1 19 3596 1 1 8 GLN HG3 H -8.459 2.720 4.151 1.00 . A A . 8 GLN HG3 1 1 19 3597 1 1 8 GLN N N -7.620 0.924 1.953 1.00 . A A . 8 GLN N 1 1 19 3598 1 1 8 GLN NE2 N -8.271 0.788 5.815 1.00 . A A . 8 GLN NE2 1 1 19 3599 1 1 8 GLN O O -6.275 3.733 0.204 1.00 . A A . 8 GLN O 1 1 19 3600 1 1 8 GLN OE1 O -6.258 0.532 4.851 1.00 . A A . 8 GLN OE1 1 1 19 3601 1 1 9 SER C C -3.565 2.625 -0.540 1.00 . A A . 9 SER C 1 1 19 3602 1 1 9 SER CA C -4.731 1.704 -0.885 1.00 . A A . 9 SER CA 1 1 19 3603 1 1 9 SER CB C -5.477 2.244 -2.108 1.00 . A A . 9 SER CB 1 1 19 3604 1 1 9 SER H H -5.740 0.702 0.684 1.00 . A A . 9 SER H 1 1 19 3605 1 1 9 SER HA H -4.344 0.723 -1.114 1.00 . A A . 9 SER HA 1 1 19 3606 1 1 9 SER HB2 H -6.507 1.921 -2.070 1.00 . A A . 9 SER HB2 1 1 19 3607 1 1 9 SER HB3 H -5.437 3.324 -2.103 1.00 . A A . 9 SER HB3 1 1 19 3608 1 1 9 SER HG H -5.386 1.009 -3.627 1.00 . A A . 9 SER HG 1 1 19 3609 1 1 9 SER N N -5.643 1.574 0.246 1.00 . A A . 9 SER N 1 1 19 3610 1 1 9 SER O O -3.192 3.496 -1.327 1.00 . A A . 9 SER O 1 1 19 3611 1 1 9 SER OG O -4.894 1.771 -3.310 1.00 . A A . 9 SER OG 1 1 19 3612 1 1 10 CYS C C -0.678 3.090 0.153 1.00 . A A . 10 CYS C 1 1 19 3613 1 1 10 CYS CA C -1.869 3.238 1.095 1.00 . A A . 10 CYS CA 1 1 19 3614 1 1 10 CYS CB C -1.463 2.838 2.516 1.00 . A A . 10 CYS CB 1 1 19 3615 1 1 10 CYS H H -3.335 1.717 1.227 1.00 . A A . 10 CYS H 1 1 19 3616 1 1 10 CYS HA H -2.185 4.270 1.098 1.00 . A A . 10 CYS HA 1 1 19 3617 1 1 10 CYS HB2 H -0.544 3.344 2.775 1.00 . A A . 10 CYS HB2 1 1 19 3618 1 1 10 CYS HB3 H -2.241 3.139 3.202 1.00 . A A . 10 CYS HB3 1 1 19 3619 1 1 10 CYS N N -2.993 2.426 0.643 1.00 . A A . 10 CYS N 1 1 19 3620 1 1 10 CYS O O -0.514 2.060 -0.502 1.00 . A A . 10 CYS O 1 1 19 3621 1 1 10 CYS SG S -1.191 1.050 2.735 1.00 . A A . 10 CYS SG 1 1 19 3622 1 1 11 PHE C C 2.360 3.108 -0.268 1.00 . A A . 11 PHE C 1 1 19 3623 1 1 11 PHE CA C 1.328 4.113 -0.772 1.00 . A A . 11 PHE CA 1 1 19 3624 1 1 11 PHE CB C 1.950 5.509 -0.841 1.00 . A A . 11 PHE CB 1 1 19 3625 1 1 11 PHE CD1 C -0.066 6.616 -1.844 1.00 . A A . 11 PHE CD1 1 1 19 3626 1 1 11 PHE CD2 C 2.063 7.034 -2.831 1.00 . A A . 11 PHE CD2 1 1 19 3627 1 1 11 PHE CE1 C -0.665 7.439 -2.779 1.00 . A A . 11 PHE CE1 1 1 19 3628 1 1 11 PHE CE2 C 1.471 7.859 -3.768 1.00 . A A . 11 PHE CE2 1 1 19 3629 1 1 11 PHE CG C 1.304 6.405 -1.859 1.00 . A A . 11 PHE CG 1 1 19 3630 1 1 11 PHE CZ C 0.104 8.061 -3.743 1.00 . A A . 11 PHE CZ 1 1 19 3631 1 1 11 PHE H H -0.033 4.920 0.636 1.00 . A A . 11 PHE H 1 1 19 3632 1 1 11 PHE HA H 1.010 3.820 -1.761 1.00 . A A . 11 PHE HA 1 1 19 3633 1 1 11 PHE HB2 H 1.860 5.985 0.123 1.00 . A A . 11 PHE HB2 1 1 19 3634 1 1 11 PHE HB3 H 2.995 5.417 -1.096 1.00 . A A . 11 PHE HB3 1 1 19 3635 1 1 11 PHE HD1 H -0.669 6.129 -1.091 1.00 . A A . 11 PHE HD1 1 1 19 3636 1 1 11 PHE HD2 H 3.132 6.877 -2.852 1.00 . A A . 11 PHE HD2 1 1 19 3637 1 1 11 PHE HE1 H -1.734 7.594 -2.756 1.00 . A A . 11 PHE HE1 1 1 19 3638 1 1 11 PHE HE2 H 2.074 8.344 -4.521 1.00 . A A . 11 PHE HE2 1 1 19 3639 1 1 11 PHE HZ H -0.362 8.705 -4.473 1.00 . A A . 11 PHE HZ 1 1 19 3640 1 1 11 PHE N N 0.151 4.127 0.090 1.00 . A A . 11 PHE N 1 1 19 3641 1 1 11 PHE O O 2.391 2.750 0.909 1.00 . A A . 11 PHE O 1 1 19 3642 1 1 12 PRO C C 5.369 2.275 0.019 1.00 . A A . 12 PRO C 1 1 19 3643 1 1 12 PRO CA C 4.274 1.672 -0.855 1.00 . A A . 12 PRO CA 1 1 19 3644 1 1 12 PRO CB C 4.835 1.283 -2.225 1.00 . A A . 12 PRO CB 1 1 19 3645 1 1 12 PRO CD C 3.245 3.026 -2.602 1.00 . A A . 12 PRO CD 1 1 19 3646 1 1 12 PRO CG C 4.543 2.451 -3.100 1.00 . A A . 12 PRO CG 1 1 19 3647 1 1 12 PRO HA H 3.868 0.798 -0.368 1.00 . A A . 12 PRO HA 1 1 19 3648 1 1 12 PRO HB2 H 5.900 1.106 -2.142 1.00 . A A . 12 PRO HB2 1 1 19 3649 1 1 12 PRO HB3 H 4.343 0.390 -2.579 1.00 . A A . 12 PRO HB3 1 1 19 3650 1 1 12 PRO HD2 H 3.243 4.101 -2.712 1.00 . A A . 12 PRO HD2 1 1 19 3651 1 1 12 PRO HD3 H 2.411 2.589 -3.132 1.00 . A A . 12 PRO HD3 1 1 19 3652 1 1 12 PRO HG2 H 5.333 3.181 -3.016 1.00 . A A . 12 PRO HG2 1 1 19 3653 1 1 12 PRO HG3 H 4.439 2.125 -4.125 1.00 . A A . 12 PRO HG3 1 1 19 3654 1 1 12 PRO N N 3.224 2.642 -1.181 1.00 . A A . 12 PRO N 1 1 19 3655 1 1 12 PRO O O 5.695 3.455 -0.104 1.00 . A A . 12 PRO O 1 1 19 3656 1 1 13 ASP C C 8.158 0.924 1.798 1.00 . A A . 13 ASP C 1 1 19 3657 1 1 13 ASP CA C 6.993 1.909 1.793 1.00 . A A . 13 ASP CA 1 1 19 3658 1 1 13 ASP CB C 6.453 2.085 3.213 1.00 . A A . 13 ASP CB 1 1 19 3659 1 1 13 ASP CG C 7.545 2.418 4.211 1.00 . A A . 13 ASP CG 1 1 19 3660 1 1 13 ASP H H 5.630 0.526 0.951 1.00 . A A . 13 ASP H 1 1 19 3661 1 1 13 ASP HA H 7.347 2.863 1.432 1.00 . A A . 13 ASP HA 1 1 19 3662 1 1 13 ASP HB2 H 5.729 2.887 3.220 1.00 . A A . 13 ASP HB2 1 1 19 3663 1 1 13 ASP HB3 H 5.973 1.169 3.524 1.00 . A A . 13 ASP HB3 1 1 19 3664 1 1 13 ASP N N 5.933 1.457 0.900 1.00 . A A . 13 ASP N 1 1 19 3665 1 1 13 ASP O O 8.063 -0.163 2.369 1.00 . A A . 13 ASP O 1 1 19 3666 1 1 13 ASP OD1 O 8.160 3.496 4.079 1.00 . A A . 13 ASP OD1 1 1 19 3667 1 1 13 ASP OD2 O 7.785 1.600 5.124 1.00 . A A . 13 ASP OD2 1 1 20 3668 1 1 1 GLY C C 9.099 -0.876 -0.584 1.00 . A A . 1 GLY C 1 1 20 3669 1 1 1 GLY CA C 9.920 0.224 0.059 1.00 . A A . 1 GLY CA 1 1 20 3670 1 1 1 GLY H1 H 9.393 2.231 0.476 1.00 . A A . 1 GLY H1 1 1 20 3671 1 1 1 GLY HA2 H 10.603 0.625 -0.675 1.00 . A A . 1 GLY HA2 1 1 20 3672 1 1 1 GLY HA3 H 10.489 -0.198 0.874 1.00 . A A . 1 GLY HA3 1 1 20 3673 1 1 1 GLY N N 9.095 1.302 0.572 1.00 . A A . 1 GLY N 1 1 20 3674 1 1 1 GLY O O 9.026 -0.970 -1.810 1.00 . A A . 1 GLY O 1 1 20 3675 1 1 2 ARG C C 6.208 -2.387 -0.401 1.00 . A A . 2 ARG C 1 1 20 3676 1 1 2 ARG CA C 7.665 -2.814 -0.252 1.00 . A A . 2 ARG CA 1 1 20 3677 1 1 2 ARG CB C 7.762 -4.014 0.691 1.00 . A A . 2 ARG CB 1 1 20 3678 1 1 2 ARG CD C 9.261 -5.641 1.883 1.00 . A A . 2 ARG CD 1 1 20 3679 1 1 2 ARG CG C 9.149 -4.632 0.752 1.00 . A A . 2 ARG CG 1 1 20 3680 1 1 2 ARG CZ C 10.998 -7.104 2.824 1.00 . A A . 2 ARG CZ 1 1 20 3681 1 1 2 ARG H H 8.578 -1.587 1.210 1.00 . A A . 2 ARG H 1 1 20 3682 1 1 2 ARG HA H 8.044 -3.099 -1.222 1.00 . A A . 2 ARG HA 1 1 20 3683 1 1 2 ARG HB2 H 7.489 -3.697 1.687 1.00 . A A . 2 ARG HB2 1 1 20 3684 1 1 2 ARG HB3 H 7.067 -4.774 0.362 1.00 . A A . 2 ARG HB3 1 1 20 3685 1 1 2 ARG HD2 H 9.238 -5.113 2.824 1.00 . A A . 2 ARG HD2 1 1 20 3686 1 1 2 ARG HD3 H 8.420 -6.316 1.829 1.00 . A A . 2 ARG HD3 1 1 20 3687 1 1 2 ARG HE H 10.975 -6.423 0.950 1.00 . A A . 2 ARG HE 1 1 20 3688 1 1 2 ARG HG2 H 9.351 -5.131 -0.183 1.00 . A A . 2 ARG HG2 1 1 20 3689 1 1 2 ARG HG3 H 9.875 -3.847 0.907 1.00 . A A . 2 ARG HG3 1 1 20 3690 1 1 2 ARG HH11 H 9.521 -6.603 4.109 1.00 . A A . 2 ARG HH11 1 1 20 3691 1 1 2 ARG HH12 H 10.753 -7.633 4.760 1.00 . A A . 2 ARG HH12 1 1 20 3692 1 1 2 ARG HH21 H 12.601 -7.780 1.796 1.00 . A A . 2 ARG HH21 1 1 20 3693 1 1 2 ARG HH22 H 12.504 -8.302 3.444 1.00 . A A . 2 ARG HH22 1 1 20 3694 1 1 2 ARG N N 8.481 -1.714 0.243 1.00 . A A . 2 ARG N 1 1 20 3695 1 1 2 ARG NE N 10.496 -6.416 1.804 1.00 . A A . 2 ARG NE 1 1 20 3696 1 1 2 ARG NH1 N 10.373 -7.113 3.994 1.00 . A A . 2 ARG NH1 1 1 20 3697 1 1 2 ARG NH2 N 12.128 -7.784 2.676 1.00 . A A . 2 ARG NH2 1 1 20 3698 1 1 2 ARG O O 5.732 -1.472 0.271 1.00 . A A . 2 ARG O 1 1 20 3699 1 1 3 PRO C C 3.171 -3.170 -0.393 1.00 . A A . 3 PRO C 1 1 20 3700 1 1 3 PRO CA C 4.067 -2.771 -1.560 1.00 . A A . 3 PRO CA 1 1 20 3701 1 1 3 PRO CB C 3.749 -3.620 -2.794 1.00 . A A . 3 PRO CB 1 1 20 3702 1 1 3 PRO CD C 5.982 -4.167 -2.139 1.00 . A A . 3 PRO CD 1 1 20 3703 1 1 3 PRO CG C 4.732 -4.739 -2.747 1.00 . A A . 3 PRO CG 1 1 20 3704 1 1 3 PRO HA H 3.914 -1.727 -1.791 1.00 . A A . 3 PRO HA 1 1 20 3705 1 1 3 PRO HB2 H 2.733 -3.984 -2.731 1.00 . A A . 3 PRO HB2 1 1 20 3706 1 1 3 PRO HB3 H 3.871 -3.025 -3.686 1.00 . A A . 3 PRO HB3 1 1 20 3707 1 1 3 PRO HD2 H 6.483 -4.910 -1.537 1.00 . A A . 3 PRO HD2 1 1 20 3708 1 1 3 PRO HD3 H 6.641 -3.796 -2.910 1.00 . A A . 3 PRO HD3 1 1 20 3709 1 1 3 PRO HG2 H 4.349 -5.539 -2.134 1.00 . A A . 3 PRO HG2 1 1 20 3710 1 1 3 PRO HG3 H 4.930 -5.093 -3.748 1.00 . A A . 3 PRO HG3 1 1 20 3711 1 1 3 PRO N N 5.481 -3.063 -1.302 1.00 . A A . 3 PRO N 1 1 20 3712 1 1 3 PRO O O 3.493 -4.082 0.367 1.00 . A A . 3 PRO O 1 1 20 3713 1 1 4 CYS C C -0.263 -3.157 0.255 1.00 . A A . 4 CYS C 1 1 20 3714 1 1 4 CYS CA C 1.099 -2.761 0.817 1.00 . A A . 4 CYS CA 1 1 20 3715 1 1 4 CYS CB C 0.951 -1.540 1.728 1.00 . A A . 4 CYS CB 1 1 20 3716 1 1 4 CYS H H 1.841 -1.763 -0.896 1.00 . A A . 4 CYS H 1 1 20 3717 1 1 4 CYS HA H 1.489 -3.585 1.395 1.00 . A A . 4 CYS HA 1 1 20 3718 1 1 4 CYS HB2 H 0.097 -1.684 2.374 1.00 . A A . 4 CYS HB2 1 1 20 3719 1 1 4 CYS HB3 H 1.841 -1.442 2.332 1.00 . A A . 4 CYS HB3 1 1 20 3720 1 1 4 CYS N N 2.043 -2.479 -0.257 1.00 . A A . 4 CYS N 1 1 20 3721 1 1 4 CYS O O -0.634 -2.752 -0.847 1.00 . A A . 4 CYS O 1 1 20 3722 1 1 4 CYS SG S 0.711 0.029 0.834 1.00 . A A . 4 CYS SG 1 1 20 3723 1 1 5 TYR C C -3.407 -3.875 1.533 1.00 . A A . 5 TYR C 1 1 20 3724 1 1 5 TYR CA C -2.325 -4.404 0.597 1.00 . A A . 5 TYR CA 1 1 20 3725 1 1 5 TYR CB C -2.373 -5.933 0.555 1.00 . A A . 5 TYR CB 1 1 20 3726 1 1 5 TYR CD1 C -0.895 -6.288 -1.462 1.00 . A A . 5 TYR CD1 1 1 20 3727 1 1 5 TYR CD2 C -0.330 -7.417 0.561 1.00 . A A . 5 TYR CD2 1 1 20 3728 1 1 5 TYR CE1 C 0.196 -6.858 -2.090 1.00 . A A . 5 TYR CE1 1 1 20 3729 1 1 5 TYR CE2 C 0.764 -7.990 -0.059 1.00 . A A . 5 TYR CE2 1 1 20 3730 1 1 5 TYR CG C -1.178 -6.557 -0.129 1.00 . A A . 5 TYR CG 1 1 20 3731 1 1 5 TYR CZ C 1.022 -7.707 -1.384 1.00 . A A . 5 TYR CZ 1 1 20 3732 1 1 5 TYR H H -0.656 -4.241 1.888 1.00 . A A . 5 TYR H 1 1 20 3733 1 1 5 TYR HA H -2.505 -4.021 -0.397 1.00 . A A . 5 TYR HA 1 1 20 3734 1 1 5 TYR HB2 H -2.414 -6.313 1.564 1.00 . A A . 5 TYR HB2 1 1 20 3735 1 1 5 TYR HB3 H -3.260 -6.242 0.022 1.00 . A A . 5 TYR HB3 1 1 20 3736 1 1 5 TYR HD1 H -1.544 -5.622 -2.012 1.00 . A A . 5 TYR HD1 1 1 20 3737 1 1 5 TYR HD2 H -0.536 -7.636 1.598 1.00 . A A . 5 TYR HD2 1 1 20 3738 1 1 5 TYR HE1 H 0.399 -6.637 -3.127 1.00 . A A . 5 TYR HE1 1 1 20 3739 1 1 5 TYR HE2 H 1.411 -8.656 0.493 1.00 . A A . 5 TYR HE2 1 1 20 3740 1 1 5 TYR HH H 1.868 -9.140 -2.348 1.00 . A A . 5 TYR HH 1 1 20 3741 1 1 5 TYR N N -1.004 -3.952 1.020 1.00 . A A . 5 TYR N 1 1 20 3742 1 1 5 TYR O O -3.510 -4.298 2.685 1.00 . A A . 5 TYR O 1 1 20 3743 1 1 5 TYR OH O 2.111 -8.276 -2.006 1.00 . A A . 5 TYR OH 1 1 20 3744 1 1 6 THR C C -6.310 -1.663 0.924 1.00 . A A . 6 THR C 1 1 20 3745 1 1 6 THR CA C -5.290 -2.360 1.817 1.00 . A A . 6 THR CA 1 1 20 3746 1 1 6 THR CB C -4.745 -1.346 2.841 1.00 . A A . 6 THR CB 1 1 20 3747 1 1 6 THR CG2 C -4.465 -2.022 4.175 1.00 . A A . 6 THR CG2 1 1 20 3748 1 1 6 THR H H -4.082 -2.651 0.104 1.00 . A A . 6 THR H 1 1 20 3749 1 1 6 THR HA H -5.782 -3.156 2.357 1.00 . A A . 6 THR HA 1 1 20 3750 1 1 6 THR HB H -5.489 -0.576 2.994 1.00 . A A . 6 THR HB 1 1 20 3751 1 1 6 THR HG1 H -3.628 -0.599 1.399 1.00 . A A . 6 THR HG1 1 1 20 3752 1 1 6 THR HG21 H -3.401 -2.019 4.364 1.00 . A A . 6 THR HG21 1 1 20 3753 1 1 6 THR HG22 H -4.822 -3.040 4.144 1.00 . A A . 6 THR HG22 1 1 20 3754 1 1 6 THR HG23 H -4.971 -1.486 4.964 1.00 . A A . 6 THR HG23 1 1 20 3755 1 1 6 THR N N -4.214 -2.947 1.028 1.00 . A A . 6 THR N 1 1 20 3756 1 1 6 THR O O -5.960 -1.099 -0.113 1.00 . A A . 6 THR O 1 1 20 3757 1 1 6 THR OG1 O -3.545 -0.744 2.344 1.00 . A A . 6 THR OG1 1 1 20 3758 1 1 7 LEU C C -8.770 0.402 0.919 1.00 . A A . 7 LEU C 1 1 20 3759 1 1 7 LEU CA C -8.646 -1.078 0.568 1.00 . A A . 7 LEU CA 1 1 20 3760 1 1 7 LEU CB C -9.973 -1.791 0.835 1.00 . A A . 7 LEU CB 1 1 20 3761 1 1 7 LEU CD1 C -11.396 -3.845 0.652 1.00 . A A . 7 LEU CD1 1 1 20 3762 1 1 7 LEU CD2 C -10.341 -2.873 -1.397 1.00 . A A . 7 LEU CD2 1 1 20 3763 1 1 7 LEU CG C -10.185 -3.114 0.098 1.00 . A A . 7 LEU CG 1 1 20 3764 1 1 7 LEU H H -7.791 -2.171 2.167 1.00 . A A . 7 LEU H 1 1 20 3765 1 1 7 LEU HA H -8.402 -1.167 -0.480 1.00 . A A . 7 LEU HA 1 1 20 3766 1 1 7 LEU HB2 H -10.036 -1.988 1.894 1.00 . A A . 7 LEU HB2 1 1 20 3767 1 1 7 LEU HB3 H -10.771 -1.120 0.547 1.00 . A A . 7 LEU HB3 1 1 20 3768 1 1 7 LEU HD11 H -11.255 -4.029 1.706 1.00 . A A . 7 LEU HD11 1 1 20 3769 1 1 7 LEU HD12 H -11.516 -4.786 0.135 1.00 . A A . 7 LEU HD12 1 1 20 3770 1 1 7 LEU HD13 H -12.280 -3.240 0.506 1.00 . A A . 7 LEU HD13 1 1 20 3771 1 1 7 LEU HD21 H -10.492 -1.819 -1.577 1.00 . A A . 7 LEU HD21 1 1 20 3772 1 1 7 LEU HD22 H -11.193 -3.427 -1.763 1.00 . A A . 7 LEU HD22 1 1 20 3773 1 1 7 LEU HD23 H -9.450 -3.201 -1.910 1.00 . A A . 7 LEU HD23 1 1 20 3774 1 1 7 LEU HG H -9.318 -3.743 0.247 1.00 . A A . 7 LEU HG 1 1 20 3775 1 1 7 LEU N N -7.573 -1.705 1.332 1.00 . A A . 7 LEU N 1 1 20 3776 1 1 7 LEU O O -9.595 1.116 0.350 1.00 . A A . 7 LEU O 1 1 20 3777 1 1 8 GLN C C -6.949 3.071 1.492 1.00 . A A . 8 GLN C 1 1 20 3778 1 1 8 GLN CA C -7.962 2.248 2.283 1.00 . A A . 8 GLN CA 1 1 20 3779 1 1 8 GLN CB C -7.663 2.351 3.779 1.00 . A A . 8 GLN CB 1 1 20 3780 1 1 8 GLN CD C -8.622 2.625 6.100 1.00 . A A . 8 GLN CD 1 1 20 3781 1 1 8 GLN CG C -8.902 2.267 4.655 1.00 . A A . 8 GLN CG 1 1 20 3782 1 1 8 GLN H H -7.309 0.234 2.274 1.00 . A A . 8 GLN H 1 1 20 3783 1 1 8 GLN HA H -8.950 2.640 2.094 1.00 . A A . 8 GLN HA 1 1 20 3784 1 1 8 GLN HB2 H -6.997 1.548 4.057 1.00 . A A . 8 GLN HB2 1 1 20 3785 1 1 8 GLN HB3 H -7.176 3.296 3.972 1.00 . A A . 8 GLN HB3 1 1 20 3786 1 1 8 GLN HE21 H -7.100 1.347 6.147 1.00 . A A . 8 GLN HE21 1 1 20 3787 1 1 8 GLN HE22 H -7.401 2.209 7.613 1.00 . A A . 8 GLN HE22 1 1 20 3788 1 1 8 GLN HG2 H -9.647 2.948 4.269 1.00 . A A . 8 GLN HG2 1 1 20 3789 1 1 8 GLN HG3 H -9.287 1.258 4.616 1.00 . A A . 8 GLN HG3 1 1 20 3790 1 1 8 GLN N N -7.944 0.853 1.857 1.00 . A A . 8 GLN N 1 1 20 3791 1 1 8 GLN NE2 N -7.605 1.997 6.679 1.00 . A A . 8 GLN NE2 1 1 20 3792 1 1 8 GLN O O -6.572 4.168 1.901 1.00 . A A . 8 GLN O 1 1 20 3793 1 1 8 GLN OE1 O -9.310 3.457 6.691 1.00 . A A . 8 GLN OE1 1 1 20 3794 1 1 9 SER C C -4.255 3.495 0.280 1.00 . A A . 9 SER C 1 1 20 3795 1 1 9 SER CA C -5.542 3.215 -0.489 1.00 . A A . 9 SER CA 1 1 20 3796 1 1 9 SER CB C -6.127 4.523 -1.021 1.00 . A A . 9 SER CB 1 1 20 3797 1 1 9 SER H H -6.852 1.653 0.084 1.00 . A A . 9 SER H 1 1 20 3798 1 1 9 SER HA H -5.315 2.566 -1.322 1.00 . A A . 9 SER HA 1 1 20 3799 1 1 9 SER HB2 H -7.134 4.350 -1.369 1.00 . A A . 9 SER HB2 1 1 20 3800 1 1 9 SER HB3 H -6.141 5.257 -0.227 1.00 . A A . 9 SER HB3 1 1 20 3801 1 1 9 SER HG H -5.672 4.657 -2.921 1.00 . A A . 9 SER HG 1 1 20 3802 1 1 9 SER N N -6.514 2.532 0.357 1.00 . A A . 9 SER N 1 1 20 3803 1 1 9 SER O O -4.111 4.543 0.911 1.00 . A A . 9 SER O 1 1 20 3804 1 1 9 SER OG O -5.354 5.029 -2.096 1.00 . A A . 9 SER OG 1 1 20 3805 1 1 10 CYS C C -0.903 2.870 -0.084 1.00 . A A . 10 CYS C 1 1 20 3806 1 1 10 CYS CA C -2.045 2.695 0.913 1.00 . A A . 10 CYS CA 1 1 20 3807 1 1 10 CYS CB C -1.781 1.475 1.799 1.00 . A A . 10 CYS CB 1 1 20 3808 1 1 10 CYS H H -3.494 1.738 -0.297 1.00 . A A . 10 CYS H 1 1 20 3809 1 1 10 CYS HA H -2.101 3.574 1.536 1.00 . A A . 10 CYS HA 1 1 20 3810 1 1 10 CYS HB2 H -2.411 1.532 2.674 1.00 . A A . 10 CYS HB2 1 1 20 3811 1 1 10 CYS HB3 H -2.021 0.579 1.245 1.00 . A A . 10 CYS HB3 1 1 20 3812 1 1 10 CYS N N -3.321 2.551 0.223 1.00 . A A . 10 CYS N 1 1 20 3813 1 1 10 CYS O O -0.887 2.240 -1.142 1.00 . A A . 10 CYS O 1 1 20 3814 1 1 10 CYS SG S -0.056 1.329 2.367 1.00 . A A . 10 CYS SG 1 1 20 3815 1 1 11 PHE C C 2.360 3.067 -0.254 1.00 . A A . 11 PHE C 1 1 20 3816 1 1 11 PHE CA C 1.195 3.988 -0.604 1.00 . A A . 11 PHE CA 1 1 20 3817 1 1 11 PHE CB C 1.632 5.450 -0.483 1.00 . A A . 11 PHE CB 1 1 20 3818 1 1 11 PHE CD1 C 0.515 6.349 -2.543 1.00 . A A . 11 PHE CD1 1 1 20 3819 1 1 11 PHE CD2 C 0.025 7.376 -0.448 1.00 . A A . 11 PHE CD2 1 1 20 3820 1 1 11 PHE CE1 C -0.337 7.232 -3.179 1.00 . A A . 11 PHE CE1 1 1 20 3821 1 1 11 PHE CE2 C -0.829 8.261 -1.079 1.00 . A A . 11 PHE CE2 1 1 20 3822 1 1 11 PHE CG C 0.705 6.411 -1.172 1.00 . A A . 11 PHE CG 1 1 20 3823 1 1 11 PHE CZ C -1.009 8.190 -2.446 1.00 . A A . 11 PHE CZ 1 1 20 3824 1 1 11 PHE H H -0.019 4.202 1.117 1.00 . A A . 11 PHE H 1 1 20 3825 1 1 11 PHE HA H 0.892 3.795 -1.621 1.00 . A A . 11 PHE HA 1 1 20 3826 1 1 11 PHE HB2 H 1.673 5.721 0.560 1.00 . A A . 11 PHE HB2 1 1 20 3827 1 1 11 PHE HB3 H 2.613 5.562 -0.920 1.00 . A A . 11 PHE HB3 1 1 20 3828 1 1 11 PHE HD1 H 1.041 5.600 -3.118 1.00 . A A . 11 PHE HD1 1 1 20 3829 1 1 11 PHE HD2 H 0.165 7.435 0.621 1.00 . A A . 11 PHE HD2 1 1 20 3830 1 1 11 PHE HE1 H -0.475 7.173 -4.249 1.00 . A A . 11 PHE HE1 1 1 20 3831 1 1 11 PHE HE2 H -1.353 9.010 -0.503 1.00 . A A . 11 PHE HE2 1 1 20 3832 1 1 11 PHE HZ H -1.676 8.879 -2.942 1.00 . A A . 11 PHE HZ 1 1 20 3833 1 1 11 PHE N N 0.050 3.729 0.261 1.00 . A A . 11 PHE N 1 1 20 3834 1 1 11 PHE O O 2.473 2.564 0.864 1.00 . A A . 11 PHE O 1 1 20 3835 1 1 12 PRO C C 5.458 2.599 -0.121 1.00 . A A . 12 PRO C 1 1 20 3836 1 1 12 PRO CA C 4.422 1.980 -1.053 1.00 . A A . 12 PRO CA 1 1 20 3837 1 1 12 PRO CB C 4.987 1.850 -2.469 1.00 . A A . 12 PRO CB 1 1 20 3838 1 1 12 PRO CD C 3.179 3.409 -2.589 1.00 . A A . 12 PRO CD 1 1 20 3839 1 1 12 PRO CG C 4.523 3.076 -3.176 1.00 . A A . 12 PRO CG 1 1 20 3840 1 1 12 PRO HA H 4.145 1.003 -0.683 1.00 . A A . 12 PRO HA 1 1 20 3841 1 1 12 PRO HB2 H 6.067 1.803 -2.426 1.00 . A A . 12 PRO HB2 1 1 20 3842 1 1 12 PRO HB3 H 4.601 0.956 -2.934 1.00 . A A . 12 PRO HB3 1 1 20 3843 1 1 12 PRO HD2 H 3.037 4.479 -2.553 1.00 . A A . 12 PRO HD2 1 1 20 3844 1 1 12 PRO HD3 H 2.392 2.941 -3.161 1.00 . A A . 12 PRO HD3 1 1 20 3845 1 1 12 PRO HG2 H 5.217 3.885 -3.004 1.00 . A A . 12 PRO HG2 1 1 20 3846 1 1 12 PRO HG3 H 4.430 2.878 -4.234 1.00 . A A . 12 PRO HG3 1 1 20 3847 1 1 12 PRO N N 3.250 2.841 -1.233 1.00 . A A . 12 PRO N 1 1 20 3848 1 1 12 PRO O O 5.675 3.810 -0.135 1.00 . A A . 12 PRO O 1 1 20 3849 1 1 13 ASP C C 8.305 1.276 1.649 1.00 . A A . 13 ASP C 1 1 20 3850 1 1 13 ASP CA C 7.110 2.224 1.628 1.00 . A A . 13 ASP CA 1 1 20 3851 1 1 13 ASP CB C 6.518 2.351 3.032 1.00 . A A . 13 ASP CB 1 1 20 3852 1 1 13 ASP CG C 7.450 3.062 3.992 1.00 . A A . 13 ASP CG 1 1 20 3853 1 1 13 ASP H H 5.878 0.804 0.653 1.00 . A A . 13 ASP H 1 1 20 3854 1 1 13 ASP HA H 7.445 3.197 1.299 1.00 . A A . 13 ASP HA 1 1 20 3855 1 1 13 ASP HB2 H 5.594 2.908 2.977 1.00 . A A . 13 ASP HB2 1 1 20 3856 1 1 13 ASP HB3 H 6.315 1.363 3.420 1.00 . A A . 13 ASP HB3 1 1 20 3857 1 1 13 ASP N N 6.095 1.760 0.688 1.00 . A A . 13 ASP N 1 1 20 3858 1 1 13 ASP O O 8.354 0.343 2.452 1.00 . A A . 13 ASP O 1 1 20 3859 1 1 13 ASP OD1 O 8.348 3.789 3.518 1.00 . A A . 13 ASP OD1 1 1 20 3860 1 1 13 ASP OD2 O 7.281 2.893 5.218 1.00 . A A . 13 ASP OD2 1 1 stop_ save_
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