NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
469343 | 1aft | cing | 4-filtered-FRED | STAR | entry | full | 62 |
data_FRED_restraints_with_modified_coordinates_PDB_code_1aft # This FRED archive file contains, for PDB entry <1aft>: # # - 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.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_1aft _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 1aft _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "not present" _Assembly.Molecular_mass 823.85 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 $RIBONUCLEOSIDE_DIPHOSPHATE_REDUCTASE A . 1 1 stop_ save_ save_RIBONUCLEOSIDE_DIPHOSPHATE_REDUCTASE _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name "RIBONUCLEOSIDE DIPHOSPHATE REDUCTASE" _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code XFTLDADF _Entity.Number_of_monomers 8 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 ACE $ACE 1 1 2 PHE . 1 1 3 THR . 1 1 4 LEU . 1 1 5 ASP . 1 1 6 ALA . 1 1 7 ASP . 1 1 8 PHE . 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 ACE 1 1 1 1 PHE 2 2 1 1 THR 3 3 1 1 LEU 4 4 1 1 ASP 5 5 1 1 ALA 6 6 1 1 ASP 7 7 1 1 PHE 8 8 1 1 stop_ save_ save_ACE _Chem_comp.Sf_category chem_comp _Chem_comp.Entry_ID 1 _Chem_comp.ID ACE _Chem_comp.Type non-polymer save_ save_CNS/XPLOR_distance_constraints_3_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 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 5 ASP H . 4 . HN 1 1 1 1 2 1 1 6 ALA H . 5 . HN 1 1 2 1 1 1 1 6 ALA H . 5 . HN 1 1 2 1 2 1 1 7 ASP H . 6 . HN 1 1 3 1 1 1 1 7 ASP H . 6 . HN 1 1 3 1 2 1 1 8 PHE H . 7 . HN 1 1 4 1 1 1 1 2 PHE QD . 1 . HD* 1 1 4 1 2 1 1 3 THR MG . 2 . HG2* 1 1 5 1 1 1 1 2 PHE QE . 1 . HE* 1 1 5 1 2 1 1 3 THR MG . 2 . HG2* 1 1 6 1 1 1 1 6 ALA MB . 5 . HB* 1 1 6 1 2 1 1 8 PHE QD . 7 . HD* 1 1 7 1 1 1 1 6 ALA MB . 5 . HB* 1 1 7 1 2 1 1 8 PHE QE . 7 . HE* 1 1 8 1 1 1 1 2 PHE QD . 1 . HD* 1 1 8 1 2 1 1 4 LEU QD . 3 . HD* 1 1 9 1 1 1 1 2 PHE QE . 1 . HE* 1 1 9 1 2 1 1 4 LEU QD . 3 . HD* 1 1 10 1 1 1 1 2 PHE HZ . 1 . HZ 1 1 10 1 2 1 1 4 LEU QD . 3 . HD* 1 1 11 1 1 1 1 6 ALA HA . 5 . HA 1 1 11 1 2 1 1 8 PHE H . 7 . HN 1 1 12 1 1 1 1 2 PHE HA . 1 . HA 1 1 12 1 2 1 1 2 PHE QD . 1 . HD* 1 1 13 1 1 1 1 2 PHE H . 1 . HN 1 1 13 1 2 1 1 2 PHE QD . 1 . HD* 1 1 14 1 1 1 1 2 PHE H . 1 . HN 1 1 14 1 2 1 1 2 PHE QE . 1 . HE* 1 1 15 1 1 1 1 3 THR HA . 2 . HA 1 1 15 1 2 1 1 3 THR MG . 2 . HG2* 1 1 16 1 1 1 1 3 THR H . 2 . HN 1 1 16 1 2 1 1 3 THR MG . 2 . HG2* 1 1 17 1 1 1 1 4 LEU HA . 3 . HA 1 1 17 1 2 1 1 4 LEU QD . 3 . HD* 1 1 18 1 1 1 1 4 LEU H . 3 . HN 1 1 18 1 2 1 1 4 LEU QD . 3 . HD* 1 1 19 1 1 1 1 6 ALA H . 5 . HN 1 1 19 1 2 1 1 6 ALA MB . 5 . HB* 1 1 20 1 1 1 1 8 PHE HA . 7 . HA 1 1 20 1 2 1 1 8 PHE QD . 7 . HD* 1 1 21 1 1 1 1 8 PHE H . 7 . HN 1 1 21 1 2 1 1 8 PHE QE . 7 . HE* 1 1 22 1 1 1 1 8 PHE H . 7 . HN 1 1 22 1 2 1 1 8 PHE QD . 7 . HD* 1 1 23 1 1 1 1 7 ASP HA . 6 . HA 1 1 23 1 2 1 1 8 PHE QD . 7 . HD* 1 1 24 1 1 1 1 2 PHE HA . 1 . HA 1 1 24 1 2 1 1 3 THR MG . 2 . HG2* 1 1 25 1 1 1 1 6 ALA MB . 5 . HB* 1 1 25 1 2 1 1 7 ASP HA . 6 . HA 1 1 26 1 1 1 1 3 THR HB . 2 . HB 1 1 26 1 2 1 1 4 LEU QD . 3 . HD* 1 1 27 1 1 1 1 3 THR HB . 2 . HB 1 1 27 1 2 1 1 6 ALA MB . 5 . HB* 1 1 28 1 1 1 1 6 ALA MB . 5 . HB* 1 1 28 1 2 1 1 7 ASP H . 6 . HN 1 1 29 1 1 1 1 2 PHE QD . 1 . HD* 1 1 29 1 2 1 1 3 THR H . 2 . HN 1 1 30 1 1 1 1 2 PHE QE . 1 . HE* 1 1 30 1 2 1 1 3 THR H . 2 . HN 1 1 31 1 1 1 1 2 PHE H . 1 . HN 1 1 31 1 2 1 1 3 THR MG . 2 . HG2* 1 1 32 1 1 1 1 5 ASP H . 4 . HN 1 1 32 1 2 1 1 6 ALA MB . 5 . HB* 1 1 33 1 1 1 1 6 ALA MB . 5 . HB* 1 1 33 1 2 1 1 8 PHE H . 7 . HN 1 1 34 1 1 1 1 2 PHE QD . 1 . HD* 1 1 34 1 2 1 1 4 LEU H . 3 . HN 1 1 35 1 1 1 1 2 PHE H . 1 . HN 1 1 35 1 2 1 1 4 LEU QD . 3 . HD* 1 1 36 1 1 1 1 7 ASP H . 6 . HN 1 1 36 1 2 1 1 7 ASP HA . 6 . HA 1 1 37 1 1 1 1 2 PHE H . 1 . HN 1 1 37 1 2 1 1 2 PHE HA . 1 . HA 1 1 38 1 1 1 1 5 ASP H . 4 . HN 1 1 38 1 2 1 1 5 ASP HA . 4 . HA 1 1 39 1 1 1 1 8 PHE H . 7 . HN 1 1 39 1 2 1 1 8 PHE HA . 7 . HA 1 1 40 1 1 1 1 6 ALA HA . 5 . HA 1 1 40 1 2 1 1 7 ASP H . 6 . HN 1 1 41 1 1 1 1 7 ASP HA . 6 . HA 1 1 41 1 2 1 1 8 PHE H . 7 . HN 1 1 42 1 1 1 1 2 PHE HA . 1 . HA 1 1 42 1 2 1 1 3 THR H . 2 . HN 1 1 43 1 1 1 1 5 ASP HA . 4 . HA 1 1 43 1 2 1 1 6 ALA H . 5 . HN 1 1 44 1 1 1 1 3 THR HB . 2 . HB 1 1 44 1 2 1 1 4 LEU H . 3 . HN 1 1 45 1 1 1 1 4 LEU QD . 3 . HD* 1 1 45 1 2 1 1 5 ASP H . 4 . HN 1 1 46 1 1 1 1 3 THR MG . 2 . HG2* 1 1 46 1 2 1 1 5 ASP H . 4 . HN 1 1 47 1 1 1 1 3 THR MG . 2 . HG2* 1 1 47 1 2 1 1 6 ALA H . 5 . HN 1 1 48 1 1 1 1 4 LEU HA . 3 . HA 1 1 48 1 2 1 1 5 ASP H . 4 . HN 1 1 49 1 1 1 1 5 ASP HA . 4 . HA 1 1 49 1 2 1 1 6 ALA MB . 5 . HB* 1 1 50 1 1 1 1 6 ALA MB . 5 . HB* 1 1 50 1 2 1 1 8 PHE HA . 7 . HA 1 1 51 1 1 1 1 3 THR HB . 2 . HB* 1 1 51 1 2 1 1 6 ALA HA . 5 . HA 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 . . . . . 1.8 1.8 3.3 1 1 2 1 . . . . . 1.8 1.8 3.3 1 1 3 1 . . . . . 1.8 1.8 3.3 1 1 4 1 . . . . . 1.8 1.8 5.0 1 1 5 1 . . . . . 1.8 1.8 6.0 1 1 6 1 . . . . . 1.8 1.8 3.3 1 1 7 1 . . . . . 1.8 1.8 3.3 1 1 8 1 . . . . . 1.8 1.8 3.3 1 1 9 1 . . . . . 1.8 1.8 3.3 1 1 10 1 . . . . . 1.8 1.8 5.0 1 1 11 1 . . . . . 1.8 1.8 5.0 1 1 12 1 . . . . . 1.8 1.8 3.9 1 1 13 1 . . . . . 1.8 1.8 3.3 1 1 14 1 . . . . . 1.8 1.8 5.6 1 1 15 1 . . . . . 1.8 1.8 3.1 1 1 16 1 . . . . . 1.8 1.8 2.7 1 1 17 1 . . . . . 1.8 1.8 3.2 1 1 18 1 . . . . . 1.8 1.8 3.3 1 1 19 1 . . . . . 1.8 1.8 3.3 1 1 20 1 . . . . . 1.8 1.8 3.9 1 1 21 1 . . . . . 1.8 1.8 5.0 1 1 22 1 . . . . . 1.8 1.8 3.3 1 1 23 1 . . . . . 1.8 1.8 5.0 1 1 24 1 . . . . . 1.8 1.8 4.3 1 1 25 1 . . . . . 1.8 1.8 5.0 1 1 26 1 . . . . . 1.8 1.8 6.0 1 1 27 1 . . . . . 1.8 1.8 5.0 1 1 28 1 . . . . . 1.8 1.8 2.7 1 1 29 1 . . . . . 1.8 1.8 3.3 1 1 30 1 . . . . . 1.8 1.8 5.0 1 1 31 1 . . . . . 1.8 1.8 5.5 1 1 32 1 . . . . . 1.8 1.8 5.0 1 1 33 1 . . . . . 1.8 1.8 3.3 1 1 34 1 . . . . . 1.8 1.8 5.0 1 1 35 1 . . . . . 1.8 1.8 6.3 1 1 36 1 . . . . . 1.8 1.8 2.9 1 1 37 1 . . . . . 1.8 1.8 2.9 1 1 38 1 . . . . . 1.8 1.8 2.9 1 1 39 1 . . . . . 1.8 1.8 2.9 1 1 40 1 . . . . . 1.8 1.8 3.3 1 1 41 1 . . . . . 1.8 1.8 3.3 1 1 42 1 . . . . . 1.8 1.8 3.3 1 1 43 1 . . . . . 1.8 1.8 3.3 1 1 44 1 . . . . . 1.8 1.8 5.0 1 1 45 1 . . . . . 1.8 1.8 5.0 1 1 46 1 . . . . . 1.8 1.8 5.5 1 1 47 1 . . . . . 1.8 1.8 5.0 1 1 48 1 . . . . . 1.8 1.8 3.3 1 1 49 1 . . . . . 1.8 1.8 6.0 1 1 50 1 . . . . . 1.8 1.8 5.0 1 1 51 1 . . . . . 1.8 1.8 5.0 1 1 stop_ save_ save_CNS/XPLOR_distance_constraints_5_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 2 _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 2 2 1 . . . 1 2 3 1 . . . 1 2 4 1 . . . 1 2 5 1 . . . 1 2 6 1 . . . 1 2 7 1 . . . 1 2 8 1 . . . 1 2 9 1 . . . 1 2 10 1 . . . 1 2 11 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 7 ASP QB . 6 . HB* 1 2 1 1 2 1 1 8 PHE QD . 7 . HD* 1 2 2 1 1 1 1 6 ALA MB . 5 . HB* 1 2 2 1 2 1 1 8 PHE QB . 7 . HB* 1 2 3 1 1 1 1 2 PHE QB . 1 . HB* 1 2 3 1 2 1 1 4 LEU QD . 3 . HD* 1 2 4 1 1 1 1 2 PHE H . 1 . HN 1 2 4 1 2 1 1 2 PHE QB . 1 . HB* 1 2 5 1 1 1 1 5 ASP H . 4 . HN 1 2 5 1 2 1 1 5 ASP QB . 4 . HB* 1 2 6 1 1 1 1 7 ASP H . 6 . HN 1 2 6 1 2 1 1 7 ASP QB . 6 . HB* 1 2 7 1 1 1 1 6 ALA HA . 5 . HA 1 2 7 1 2 1 1 7 ASP QB . 6 . HB* 1 2 8 1 1 1 1 2 PHE QB . 1 . HB* 1 2 8 1 2 1 1 3 THR H . 2 . HN 1 2 9 1 1 1 1 5 ASP QB . 4 . HB* 1 2 9 1 2 1 1 6 ALA H . 5 . HN 1 2 10 1 1 1 1 7 ASP QB . 6 . HB* 1 2 10 1 2 1 1 8 PHE H . 7 . HN 1 2 11 1 1 1 1 4 LEU HA . 3 . HA* 1 2 11 1 2 1 1 5 ASP QB . 4 . HB* 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 . . . . . 1.8 1.8 5.9 1 2 2 1 . . . . . 1.8 1.8 5.9 1 2 3 1 . . . . . 1.8 1.8 5.9 1 2 4 1 . . . . . 1.8 1.8 3.6 1 2 5 1 . . . . . 1.8 1.8 3.6 1 2 6 1 . . . . . 1.8 1.8 3.6 1 2 7 1 . . . . . 1.8 1.8 5.9 1 2 8 1 . . . . . 1.8 1.8 4.2 1 2 9 1 . . . . . 1.8 1.8 4.2 1 2 10 1 . . . . . 1.8 1.8 4.2 1 2 11 1 . . . . . 1.8 1.8 5.9 1 2 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 2 PHE C C -4.151 -2.290 0.474 1.00 . A A . 1 PHE C 1 1 1 2 1 1 2 PHE CA C -4.581 -3.743 0.636 1.00 . A A . 1 PHE CA 1 1 1 3 1 1 2 PHE CB C -3.905 -4.460 1.868 1.00 . A A . 1 PHE CB 1 1 1 4 1 1 2 PHE CD1 C -1.922 -5.503 0.652 1.00 . A A . 1 PHE CD1 1 1 1 5 1 1 2 PHE CD2 C -1.484 -4.188 2.576 1.00 . A A . 1 PHE CD2 1 1 1 6 1 1 2 PHE CE1 C -0.574 -5.741 0.502 1.00 . A A . 1 PHE CE1 1 1 1 7 1 1 2 PHE CE2 C -0.133 -4.420 2.432 1.00 . A A . 1 PHE CE2 1 1 1 8 1 1 2 PHE CG C -2.393 -4.727 1.688 1.00 . A A . 1 PHE CG 1 1 1 9 1 1 2 PHE CZ C 0.325 -5.199 1.393 1.00 . A A . 1 PHE CZ 1 1 1 10 1 1 2 PHE H H -3.281 -4.432 -0.879 1.00 . A A . 1 PHE H 1 1 1 11 1 1 2 PHE HA H -5.632 -3.786 0.743 1.00 . A A . 1 PHE HA 1 1 1 12 1 1 2 PHE HB2 H -4.048 -3.851 2.750 1.00 . A A . 1 PHE HB2 1 1 1 13 1 1 2 PHE HB3 H -4.397 -5.407 2.037 1.00 . A A . 1 PHE HB3 1 1 1 14 1 1 2 PHE HD1 H -2.619 -5.920 -0.056 1.00 . A A . 1 PHE HD1 1 1 1 15 1 1 2 PHE HD2 H -1.838 -3.571 3.388 1.00 . A A . 1 PHE HD2 1 1 1 16 1 1 2 PHE HE1 H -0.227 -6.354 -0.318 1.00 . A A . 1 PHE HE1 1 1 1 17 1 1 2 PHE HE2 H 0.567 -3.990 3.134 1.00 . A A . 1 PHE HE2 1 1 1 18 1 1 2 PHE HZ H 1.384 -5.382 1.280 1.00 . A A . 1 PHE HZ 1 1 1 19 1 1 2 PHE N N -4.208 -4.484 -0.580 1.00 . A A . 1 PHE N 1 1 1 20 1 1 2 PHE O O -4.897 -1.484 -0.042 1.00 . A A . 1 PHE O 1 1 1 21 1 1 3 THR C C -1.141 -0.576 -0.028 1.00 . A A . 2 THR C 1 1 1 22 1 1 3 THR CA C -2.382 -0.653 0.844 1.00 . A A . 2 THR CA 1 1 1 23 1 1 3 THR CB C -2.079 -0.232 2.273 1.00 . A A . 2 THR CB 1 1 1 24 1 1 3 THR CG2 C -3.350 -0.360 3.077 1.00 . A A . 2 THR CG2 1 1 1 25 1 1 3 THR H H -2.440 -2.704 1.340 1.00 . A A . 2 THR H 1 1 1 26 1 1 3 THR HA H -3.116 0.026 0.432 1.00 . A A . 2 THR HA 1 1 1 27 1 1 3 THR HB H -1.588 0.727 2.330 1.00 . A A . 2 THR HB 1 1 1 28 1 1 3 THR HG1 H -0.482 -0.837 3.214 1.00 . A A . 2 THR HG1 1 1 1 29 1 1 3 THR HG21 H -3.679 -1.392 3.006 1.00 . A A . 2 THR HG21 1 1 1 30 1 1 3 THR HG22 H -3.173 -0.083 4.103 1.00 . A A . 2 THR HG22 1 1 1 31 1 1 3 THR HG23 H -4.092 0.294 2.642 1.00 . A A . 2 THR HG23 1 1 1 32 1 1 3 THR N N -2.965 -2.009 0.919 1.00 . A A . 2 THR N 1 1 1 33 1 1 3 THR O O -0.081 -0.197 0.428 1.00 . A A . 2 THR O 1 1 1 34 1 1 3 THR OG1 O -1.250 -1.255 2.806 1.00 . A A . 2 THR OG1 1 1 1 35 1 1 4 LEU C C -0.196 0.550 -2.804 1.00 . A A . 3 LEU C 1 1 1 36 1 1 4 LEU CA C -0.097 -0.863 -2.193 1.00 . A A . 3 LEU CA 1 1 1 37 1 1 4 LEU CB C -0.208 -1.940 -3.304 1.00 . A A . 3 LEU CB 1 1 1 38 1 1 4 LEU CD1 C 0.985 -3.631 -1.796 1.00 . A A . 3 LEU CD1 1 1 1 39 1 1 4 LEU CD2 C -1.524 -3.759 -2.052 1.00 . A A . 3 LEU CD2 1 1 1 40 1 1 4 LEU CG C -0.202 -3.407 -2.765 1.00 . A A . 3 LEU CG 1 1 1 41 1 1 4 LEU H H -2.158 -1.247 -1.591 1.00 . A A . 3 LEU H 1 1 1 42 1 1 4 LEU HA H 0.826 -0.946 -1.638 1.00 . A A . 3 LEU HA 1 1 1 43 1 1 4 LEU HB2 H -1.113 -1.766 -3.869 1.00 . A A . 3 LEU HB2 1 1 1 44 1 1 4 LEU HB3 H 0.625 -1.815 -3.983 1.00 . A A . 3 LEU HB3 1 1 1 45 1 1 4 LEU HD11 H 1.922 -3.426 -2.295 1.00 . A A . 3 LEU HD11 1 1 1 46 1 1 4 LEU HD12 H 0.905 -2.989 -0.930 1.00 . A A . 3 LEU HD12 1 1 1 47 1 1 4 LEU HD13 H 0.999 -4.657 -1.456 1.00 . A A . 3 LEU HD13 1 1 1 48 1 1 4 LEU HD21 H -2.359 -3.600 -2.718 1.00 . A A . 3 LEU HD21 1 1 1 49 1 1 4 LEU HD22 H -1.511 -4.799 -1.764 1.00 . A A . 3 LEU HD22 1 1 1 50 1 1 4 LEU HD23 H -1.666 -3.166 -1.161 1.00 . A A . 3 LEU HD23 1 1 1 51 1 1 4 LEU HG H -0.082 -4.074 -3.606 1.00 . A A . 3 LEU HG 1 1 1 52 1 1 4 LEU N N -1.283 -0.932 -1.276 1.00 . A A . 3 LEU N 1 1 1 53 1 1 4 LEU O O -0.033 0.777 -3.986 1.00 . A A . 3 LEU O 1 1 1 54 1 1 5 ASP C C 0.294 3.558 -1.096 1.00 . A A . 4 ASP C 1 1 1 55 1 1 5 ASP CA C -0.641 2.897 -2.101 1.00 . A A . 4 ASP CA 1 1 1 56 1 1 5 ASP CB C -2.104 3.267 -1.808 1.00 . A A . 4 ASP CB 1 1 1 57 1 1 5 ASP CG C -3.019 2.220 -2.463 1.00 . A A . 4 ASP CG 1 1 1 58 1 1 5 ASP H H -0.562 1.131 -0.973 1.00 . A A . 4 ASP H 1 1 1 59 1 1 5 ASP HA H -0.341 3.151 -3.095 1.00 . A A . 4 ASP HA 1 1 1 60 1 1 5 ASP HB2 H -2.298 3.300 -0.746 1.00 . A A . 4 ASP HB2 1 1 1 61 1 1 5 ASP HB3 H -2.327 4.235 -2.231 1.00 . A A . 4 ASP HB3 1 1 1 62 1 1 5 ASP N N -0.466 1.441 -1.885 1.00 . A A . 4 ASP N 1 1 1 63 1 1 5 ASP O O 1.076 4.431 -1.415 1.00 . A A . 4 ASP O 1 1 1 64 1 1 5 ASP OD1 O -3.200 2.318 -3.663 1.00 . A A . 4 ASP OD1 1 1 1 65 1 1 5 ASP OD2 O -3.471 1.373 -1.709 1.00 . A A . 4 ASP OD2 1 1 1 66 1 1 6 ALA C C 2.146 2.632 1.487 1.00 . A A . 5 ALA C 1 1 1 67 1 1 6 ALA CA C 0.980 3.591 1.258 1.00 . A A . 5 ALA CA 1 1 1 68 1 1 6 ALA CB C 0.126 3.649 2.533 1.00 . A A . 5 ALA CB 1 1 1 69 1 1 6 ALA H H -0.513 2.379 0.261 1.00 . A A . 5 ALA H 1 1 1 70 1 1 6 ALA HA H 1.369 4.564 1.020 1.00 . A A . 5 ALA HA 1 1 1 71 1 1 6 ALA HB1 H -0.735 4.282 2.391 1.00 . A A . 5 ALA HB1 1 1 1 72 1 1 6 ALA HB2 H -0.206 2.655 2.805 1.00 . A A . 5 ALA HB2 1 1 1 73 1 1 6 ALA HB3 H 0.712 4.039 3.353 1.00 . A A . 5 ALA HB3 1 1 1 74 1 1 6 ALA N N 0.156 3.083 0.116 1.00 . A A . 5 ALA N 1 1 1 75 1 1 6 ALA O O 3.285 3.040 1.568 1.00 . A A . 5 ALA O 1 1 1 76 1 1 7 ASP C C 1.955 -0.431 3.061 1.00 . A A . 6 ASP C 1 1 1 77 1 1 7 ASP CA C 2.562 0.161 1.803 1.00 . A A . 6 ASP CA 1 1 1 78 1 1 7 ASP CB C 4.064 0.467 2.073 1.00 . A A . 6 ASP CB 1 1 1 79 1 1 7 ASP CG C 4.803 -0.850 2.363 1.00 . A A . 6 ASP CG 1 1 1 80 1 1 7 ASP H H 0.775 1.270 1.487 1.00 . A A . 6 ASP H 1 1 1 81 1 1 7 ASP HA H 2.408 -0.507 0.992 1.00 . A A . 6 ASP HA 1 1 1 82 1 1 7 ASP HB2 H 4.506 0.925 1.200 1.00 . A A . 6 ASP HB2 1 1 1 83 1 1 7 ASP HB3 H 4.174 1.135 2.914 1.00 . A A . 6 ASP HB3 1 1 1 84 1 1 7 ASP N N 1.738 1.396 1.576 1.00 . A A . 6 ASP N 1 1 1 85 1 1 7 ASP O O 1.533 -1.568 3.143 1.00 . A A . 6 ASP O 1 1 1 86 1 1 7 ASP OD1 O 4.872 -1.647 1.442 1.00 . A A . 6 ASP OD1 1 1 1 87 1 1 7 ASP OD2 O 5.256 -0.984 3.488 1.00 . A A . 6 ASP OD2 1 1 1 88 1 1 8 PHE C C 0.186 1.159 5.537 1.00 . A A . 7 PHE C 1 1 1 89 1 1 8 PHE CA C 1.452 0.286 5.365 1.00 . A A . 7 PHE CA 1 1 1 90 1 1 8 PHE CB C 2.614 0.686 6.325 1.00 . A A . 7 PHE CB 1 1 1 91 1 1 8 PHE CD1 C 2.739 2.965 5.079 1.00 . A A . 7 PHE CD1 1 1 1 92 1 1 8 PHE CD2 C 4.270 2.513 6.843 1.00 . A A . 7 PHE CD2 1 1 1 93 1 1 8 PHE CE1 C 3.314 4.204 4.895 1.00 . A A . 7 PHE CE1 1 1 1 94 1 1 8 PHE CE2 C 4.847 3.754 6.660 1.00 . A A . 7 PHE CE2 1 1 1 95 1 1 8 PHE CG C 3.209 2.098 6.059 1.00 . A A . 7 PHE CG 1 1 1 96 1 1 8 PHE CZ C 4.369 4.601 5.685 1.00 . A A . 7 PHE CZ 1 1 1 97 1 1 8 PHE H H 2.353 1.316 3.733 1.00 . A A . 7 PHE H 1 1 1 98 1 1 8 PHE HA H 1.179 -0.740 5.492 1.00 . A A . 7 PHE HA 1 1 1 99 1 1 8 PHE HB2 H 2.250 0.658 7.342 1.00 . A A . 7 PHE HB2 1 1 1 100 1 1 8 PHE HB3 H 3.406 -0.039 6.223 1.00 . A A . 7 PHE HB3 1 1 1 101 1 1 8 PHE HD1 H 1.912 2.675 4.445 1.00 . A A . 7 PHE HD1 1 1 1 102 1 1 8 PHE HD2 H 4.651 1.855 7.609 1.00 . A A . 7 PHE HD2 1 1 1 103 1 1 8 PHE HE1 H 2.934 4.862 4.127 1.00 . A A . 7 PHE HE1 1 1 1 104 1 1 8 PHE HE2 H 5.675 4.059 7.282 1.00 . A A . 7 PHE HE2 1 1 1 105 1 1 8 PHE HZ H 4.819 5.572 5.539 1.00 . A A . 7 PHE HZ 1 1 1 106 1 1 8 PHE N N 1.963 0.466 3.991 1.00 . A A . 7 PHE N 1 1 1 107 1 1 8 PHE O O 0.114 1.933 6.477 1.00 . A A . 7 PHE O 1 1 1 108 1 1 8 PHE OXT O -0.666 0.989 4.680 1.00 . A A . 7 PHE OXT 1 1 2 109 1 1 2 PHE C C -4.088 -2.286 0.656 1.00 . A A . 1 PHE C 1 1 2 110 1 1 2 PHE CA C -4.487 -3.734 0.914 1.00 . A A . 1 PHE CA 1 1 2 111 1 1 2 PHE CB C -3.720 -4.397 2.123 1.00 . A A . 1 PHE CB 1 1 2 112 1 1 2 PHE CD1 C -1.770 -5.383 0.811 1.00 . A A . 1 PHE CD1 1 1 2 113 1 1 2 PHE CD2 C -1.279 -4.019 2.688 1.00 . A A . 1 PHE CD2 1 1 2 114 1 1 2 PHE CE1 C -0.424 -5.569 0.585 1.00 . A A . 1 PHE CE1 1 1 2 115 1 1 2 PHE CE2 C 0.069 -4.199 2.469 1.00 . A A . 1 PHE CE2 1 1 2 116 1 1 2 PHE CG C -2.212 -4.610 1.863 1.00 . A A . 1 PHE CG 1 1 2 117 1 1 2 PHE CZ C 0.500 -4.975 1.415 1.00 . A A . 1 PHE CZ 1 1 2 118 1 1 2 PHE H H -3.273 -4.439 -0.655 1.00 . A A . 1 PHE H 1 1 2 119 1 1 2 PHE HA H -5.531 -3.788 1.085 1.00 . A A . 1 PHE HA 1 1 2 120 1 1 2 PHE HB2 H -3.836 -3.772 2.997 1.00 . A A . 1 PHE HB2 1 1 2 121 1 1 2 PHE HB3 H -4.163 -5.358 2.340 1.00 . A A . 1 PHE HB3 1 1 2 122 1 1 2 PHE HD1 H -2.489 -5.841 0.153 1.00 . A A . 1 PHE HD1 1 1 2 123 1 1 2 PHE HD2 H -1.611 -3.404 3.511 1.00 . A A . 1 PHE HD2 1 1 2 124 1 1 2 PHE HE1 H -0.104 -6.179 -0.245 1.00 . A A . 1 PHE HE1 1 1 2 125 1 1 2 PHE HE2 H 0.787 -3.727 3.126 1.00 . A A . 1 PHE HE2 1 1 2 126 1 1 2 PHE HZ H 1.559 -5.115 1.246 1.00 . A A . 1 PHE HZ 1 1 2 127 1 1 2 PHE N N -4.176 -4.508 -0.296 1.00 . A A . 1 PHE N 1 1 2 128 1 1 2 PHE O O -4.855 -1.532 0.092 1.00 . A A . 1 PHE O 1 1 2 129 1 1 3 THR C C -1.157 -0.514 -0.031 1.00 . A A . 2 THR C 1 1 2 130 1 1 3 THR CA C -2.358 -0.586 0.899 1.00 . A A . 2 THR CA 1 1 2 131 1 1 3 THR CB C -2.010 -0.091 2.291 1.00 . A A . 2 THR CB 1 1 2 132 1 1 3 THR CG2 C -3.255 -0.192 3.135 1.00 . A A . 2 THR CG2 1 1 2 133 1 1 3 THR H H -2.355 -2.597 1.526 1.00 . A A . 2 THR H 1 1 2 134 1 1 3 THR HA H -3.134 0.043 0.491 1.00 . A A . 2 THR HA 1 1 2 135 1 1 3 THR HB H -1.531 0.873 2.282 1.00 . A A . 2 THR HB 1 1 2 136 1 1 3 THR HG1 H -0.462 -0.626 3.341 1.00 . A A . 2 THR HG1 1 1 2 137 1 1 3 THR HG21 H -3.569 -1.231 3.138 1.00 . A A . 2 THR HG21 1 1 2 138 1 1 3 THR HG22 H -3.061 0.152 4.137 1.00 . A A . 2 THR HG22 1 1 2 139 1 1 3 THR HG23 H -4.016 0.425 2.682 1.00 . A A . 2 THR HG23 1 1 2 140 1 1 3 THR N N -2.905 -1.948 1.068 1.00 . A A . 2 THR N 1 1 2 141 1 1 3 THR O O -0.069 -0.140 0.363 1.00 . A A . 2 THR O 1 1 2 142 1 1 3 THR OG1 O -1.144 -1.080 2.834 1.00 . A A . 2 THR OG1 1 1 2 143 1 1 4 LEU C C -0.222 0.601 -2.847 1.00 . A A . 3 LEU C 1 1 2 144 1 1 4 LEU CA C -0.248 -0.822 -2.250 1.00 . A A . 3 LEU CA 1 1 2 145 1 1 4 LEU CB C -0.481 -1.875 -3.364 1.00 . A A . 3 LEU CB 1 1 2 146 1 1 4 LEU CD1 C 0.858 -3.625 -2.060 1.00 . A A . 3 LEU CD1 1 1 2 147 1 1 4 LEU CD2 C -1.654 -3.669 -1.939 1.00 . A A . 3 LEU CD2 1 1 2 148 1 1 4 LEU CG C -0.449 -3.351 -2.844 1.00 . A A . 3 LEU CG 1 1 2 149 1 1 4 LEU H H -2.270 -1.187 -1.522 1.00 . A A . 3 LEU H 1 1 2 150 1 1 4 LEU HA H 0.691 -0.993 -1.745 1.00 . A A . 3 LEU HA 1 1 2 151 1 1 4 LEU HB2 H -1.431 -1.681 -3.840 1.00 . A A . 3 LEU HB2 1 1 2 152 1 1 4 LEU HB3 H 0.288 -1.756 -4.115 1.00 . A A . 3 LEU HB3 1 1 2 153 1 1 4 LEU HD11 H 1.718 -3.437 -2.687 1.00 . A A . 3 LEU HD11 1 1 2 154 1 1 4 LEU HD12 H 0.922 -2.994 -1.183 1.00 . A A . 3 LEU HD12 1 1 2 155 1 1 4 LEU HD13 H 0.890 -4.655 -1.736 1.00 . A A . 3 LEU HD13 1 1 2 156 1 1 4 LEU HD21 H -2.579 -3.472 -2.461 1.00 . A A . 3 LEU HD21 1 1 2 157 1 1 4 LEU HD22 H -1.626 -4.714 -1.671 1.00 . A A . 3 LEU HD22 1 1 2 158 1 1 4 LEU HD23 H -1.634 -3.091 -1.025 1.00 . A A . 3 LEU HD23 1 1 2 159 1 1 4 LEU HG H -0.478 -4.013 -3.699 1.00 . A A . 3 LEU HG 1 1 2 160 1 1 4 LEU N N -1.377 -0.875 -1.266 1.00 . A A . 3 LEU N 1 1 2 161 1 1 4 LEU O O 0.007 0.815 -4.022 1.00 . A A . 3 LEU O 1 1 2 162 1 1 5 ASP C C 0.407 3.611 -1.153 1.00 . A A . 4 ASP C 1 1 2 163 1 1 5 ASP CA C -0.513 2.985 -2.204 1.00 . A A . 4 ASP CA 1 1 2 164 1 1 5 ASP CB C -1.965 3.516 -2.043 1.00 . A A . 4 ASP CB 1 1 2 165 1 1 5 ASP CG C -2.455 3.374 -0.592 1.00 . A A . 4 ASP CG 1 1 2 166 1 1 5 ASP H H -0.645 1.227 -1.040 1.00 . A A . 4 ASP H 1 1 2 167 1 1 5 ASP HA H -0.113 3.184 -3.174 1.00 . A A . 4 ASP HA 1 1 2 168 1 1 5 ASP HB2 H -1.997 4.558 -2.329 1.00 . A A . 4 ASP HB2 1 1 2 169 1 1 5 ASP HB3 H -2.632 2.964 -2.688 1.00 . A A . 4 ASP HB3 1 1 2 170 1 1 5 ASP N N -0.471 1.519 -1.951 1.00 . A A . 4 ASP N 1 1 2 171 1 1 5 ASP O O 1.214 4.472 -1.445 1.00 . A A . 4 ASP O 1 1 2 172 1 1 5 ASP OD1 O -2.526 2.238 -0.157 1.00 . A A . 4 ASP OD1 1 1 2 173 1 1 5 ASP OD2 O -2.724 4.401 0.002 1.00 . A A . 4 ASP OD2 1 1 2 174 1 1 6 ALA C C 2.197 2.658 1.448 1.00 . A A . 5 ALA C 1 1 2 175 1 1 6 ALA CA C 1.034 3.606 1.218 1.00 . A A . 5 ALA CA 1 1 2 176 1 1 6 ALA CB C 0.178 3.613 2.484 1.00 . A A . 5 ALA CB 1 1 2 177 1 1 6 ALA H H -0.450 2.440 0.184 1.00 . A A . 5 ALA H 1 1 2 178 1 1 6 ALA HA H 1.419 4.590 1.017 1.00 . A A . 5 ALA HA 1 1 2 179 1 1 6 ALA HB1 H -0.190 2.616 2.684 1.00 . A A . 5 ALA HB1 1 1 2 180 1 1 6 ALA HB2 H 0.782 3.902 3.330 1.00 . A A . 5 ALA HB2 1 1 2 181 1 1 6 ALA HB3 H -0.662 4.285 2.385 1.00 . A A . 5 ALA HB3 1 1 2 182 1 1 6 ALA N N 0.235 3.131 0.051 1.00 . A A . 5 ALA N 1 1 2 183 1 1 6 ALA O O 3.337 3.070 1.519 1.00 . A A . 5 ALA O 1 1 2 184 1 1 7 ASP C C 2.071 -0.419 3.062 1.00 . A A . 6 ASP C 1 1 2 185 1 1 7 ASP CA C 2.628 0.203 1.784 1.00 . A A . 6 ASP CA 1 1 2 186 1 1 7 ASP CB C 4.126 0.527 2.030 1.00 . A A . 6 ASP CB 1 1 2 187 1 1 7 ASP CG C 4.902 -0.773 2.301 1.00 . A A . 6 ASP CG 1 1 2 188 1 1 7 ASP H H 0.823 1.292 1.461 1.00 . A A . 6 ASP H 1 1 2 189 1 1 7 ASP HA H 2.489 -0.485 0.971 1.00 . A A . 6 ASP HA 1 1 2 190 1 1 7 ASP HB2 H 4.550 0.999 1.156 1.00 . A A . 6 ASP HB2 1 1 2 191 1 1 7 ASP HB3 H 4.231 1.191 2.876 1.00 . A A . 6 ASP HB3 1 1 2 192 1 1 7 ASP N N 1.788 1.423 1.549 1.00 . A A . 6 ASP N 1 1 2 193 1 1 7 ASP O O 2.085 -1.619 3.253 1.00 . A A . 6 ASP O 1 1 2 194 1 1 7 ASP OD1 O 4.953 -1.575 1.382 1.00 . A A . 6 ASP OD1 1 1 2 195 1 1 7 ASP OD2 O 5.395 -0.890 3.411 1.00 . A A . 6 ASP OD2 1 1 2 196 1 1 8 PHE C C -0.463 0.551 5.302 1.00 . A A . 7 PHE C 1 1 2 197 1 1 8 PHE CA C 1.000 0.110 5.201 1.00 . A A . 7 PHE CA 1 1 2 198 1 1 8 PHE CB C 1.845 0.757 6.318 1.00 . A A . 7 PHE CB 1 1 2 199 1 1 8 PHE CD1 C 2.327 3.000 5.219 1.00 . A A . 7 PHE CD1 1 1 2 200 1 1 8 PHE CD2 C 1.258 2.982 7.342 1.00 . A A . 7 PHE CD2 1 1 2 201 1 1 8 PHE CE1 C 2.299 4.379 5.214 1.00 . A A . 7 PHE CE1 1 1 2 202 1 1 8 PHE CE2 C 1.226 4.361 7.343 1.00 . A A . 7 PHE CE2 1 1 2 203 1 1 8 PHE CG C 1.808 2.292 6.283 1.00 . A A . 7 PHE CG 1 1 2 204 1 1 8 PHE CZ C 1.748 5.061 6.277 1.00 . A A . 7 PHE CZ 1 1 2 205 1 1 8 PHE H H 1.618 1.404 3.624 1.00 . A A . 7 PHE H 1 1 2 206 1 1 8 PHE HA H 1.065 -0.945 5.306 1.00 . A A . 7 PHE HA 1 1 2 207 1 1 8 PHE HB2 H 1.475 0.417 7.273 1.00 . A A . 7 PHE HB2 1 1 2 208 1 1 8 PHE HB3 H 2.872 0.437 6.218 1.00 . A A . 7 PHE HB3 1 1 2 209 1 1 8 PHE HD1 H 2.745 2.462 4.381 1.00 . A A . 7 PHE HD1 1 1 2 210 1 1 8 PHE HD2 H 0.847 2.425 8.171 1.00 . A A . 7 PHE HD2 1 1 2 211 1 1 8 PHE HE1 H 2.710 4.922 4.375 1.00 . A A . 7 PHE HE1 1 1 2 212 1 1 8 PHE HE2 H 0.791 4.889 8.178 1.00 . A A . 7 PHE HE2 1 1 2 213 1 1 8 PHE HZ H 1.724 6.142 6.274 1.00 . A A . 7 PHE HZ 1 1 2 214 1 1 8 PHE N N 1.591 0.468 3.890 1.00 . A A . 7 PHE N 1 1 2 215 1 1 8 PHE O O -1.229 -0.259 5.791 1.00 . A A . 7 PHE O 1 1 2 216 1 1 8 PHE OXT O -0.736 1.665 4.890 1.00 . A A . 7 PHE OXT 1 1 3 217 1 1 2 PHE C C -4.051 -2.317 0.661 1.00 . A A . 1 PHE C 1 1 3 218 1 1 2 PHE CA C -4.443 -3.767 0.903 1.00 . A A . 1 PHE CA 1 1 3 219 1 1 2 PHE CB C -3.655 -4.442 2.091 1.00 . A A . 1 PHE CB 1 1 3 220 1 1 2 PHE CD1 C -1.723 -5.406 0.737 1.00 . A A . 1 PHE CD1 1 1 3 221 1 1 2 PHE CD2 C -1.206 -4.076 2.630 1.00 . A A . 1 PHE CD2 1 1 3 222 1 1 2 PHE CE1 C -0.382 -5.589 0.490 1.00 . A A . 1 PHE CE1 1 1 3 223 1 1 2 PHE CE2 C 0.139 -4.253 2.390 1.00 . A A . 1 PHE CE2 1 1 3 224 1 1 2 PHE CG C -2.151 -4.650 1.807 1.00 . A A . 1 PHE CG 1 1 3 225 1 1 2 PHE CZ C 0.555 -5.011 1.318 1.00 . A A . 1 PHE CZ 1 1 3 226 1 1 2 PHE H H -3.251 -4.451 -0.692 1.00 . A A . 1 PHE H 1 1 3 227 1 1 2 PHE HA H -5.482 -3.825 1.091 1.00 . A A . 1 PHE HA 1 1 3 228 1 1 2 PHE HB2 H -3.759 -3.829 2.975 1.00 . A A . 1 PHE HB2 1 1 3 229 1 1 2 PHE HB3 H -4.094 -5.407 2.303 1.00 . A A . 1 PHE HB3 1 1 3 230 1 1 2 PHE HD1 H -2.451 -5.852 0.081 1.00 . A A . 1 PHE HD1 1 1 3 231 1 1 2 PHE HD2 H -1.526 -3.474 3.467 1.00 . A A . 1 PHE HD2 1 1 3 232 1 1 2 PHE HE1 H -0.074 -6.185 -0.356 1.00 . A A . 1 PHE HE1 1 1 3 233 1 1 2 PHE HE2 H 0.866 -3.796 3.044 1.00 . A A . 1 PHE HE2 1 1 3 234 1 1 2 PHE HZ H 1.611 -5.149 1.131 1.00 . A A . 1 PHE HZ 1 1 3 235 1 1 2 PHE N N -4.150 -4.523 -0.324 1.00 . A A . 1 PHE N 1 1 3 236 1 1 2 PHE O O -4.831 -1.555 0.124 1.00 . A A . 1 PHE O 1 1 3 237 1 1 3 THR C C -1.139 -0.521 -0.052 1.00 . A A . 2 THR C 1 1 3 238 1 1 3 THR CA C -2.324 -0.614 0.895 1.00 . A A . 2 THR CA 1 1 3 239 1 1 3 THR CB C -1.956 -0.132 2.283 1.00 . A A . 2 THR CB 1 1 3 240 1 1 3 THR CG2 C -3.176 -0.253 3.156 1.00 . A A . 2 THR CG2 1 1 3 241 1 1 3 THR H H -2.300 -2.635 1.494 1.00 . A A . 2 THR H 1 1 3 242 1 1 3 THR HA H -3.110 0.017 0.507 1.00 . A A . 2 THR HA 1 1 3 243 1 1 3 THR HB H -1.496 0.842 2.263 1.00 . A A . 2 THR HB 1 1 3 244 1 1 3 THR HG1 H -0.368 -0.628 3.281 1.00 . A A . 2 THR HG1 1 1 3 245 1 1 3 THR HG21 H -3.489 -1.292 3.143 1.00 . A A . 2 THR HG21 1 1 3 246 1 1 3 THR HG22 H -2.950 0.067 4.161 1.00 . A A . 2 THR HG22 1 1 3 247 1 1 3 THR HG23 H -3.945 0.376 2.735 1.00 . A A . 2 THR HG23 1 1 3 248 1 1 3 THR N N -2.861 -1.981 1.056 1.00 . A A . 2 THR N 1 1 3 249 1 1 3 THR O O -0.047 -0.146 0.330 1.00 . A A . 2 THR O 1 1 3 250 1 1 3 THR OG1 O -1.064 -1.103 2.813 1.00 . A A . 2 THR OG1 1 1 3 251 1 1 4 LEU C C -0.266 0.638 -2.865 1.00 . A A . 3 LEU C 1 1 3 252 1 1 4 LEU CA C -0.266 -0.793 -2.287 1.00 . A A . 3 LEU CA 1 1 3 253 1 1 4 LEU CB C -0.510 -1.834 -3.411 1.00 . A A . 3 LEU CB 1 1 3 254 1 1 4 LEU CD1 C 0.857 -3.589 -2.141 1.00 . A A . 3 LEU CD1 1 1 3 255 1 1 4 LEU CD2 C -1.655 -3.655 -1.997 1.00 . A A . 3 LEU CD2 1 1 3 256 1 1 4 LEU CG C -0.460 -3.316 -2.910 1.00 . A A . 3 LEU CG 1 1 3 257 1 1 4 LEU H H -2.272 -1.181 -1.533 1.00 . A A . 3 LEU H 1 1 3 258 1 1 4 LEU HA H 0.683 -0.961 -1.800 1.00 . A A . 3 LEU HA 1 1 3 259 1 1 4 LEU HB2 H -1.469 -1.640 -3.870 1.00 . A A . 3 LEU HB2 1 1 3 260 1 1 4 LEU HB3 H 0.248 -1.701 -4.171 1.00 . A A . 3 LEU HB3 1 1 3 261 1 1 4 LEU HD11 H 1.709 -3.387 -2.774 1.00 . A A . 3 LEU HD11 1 1 3 262 1 1 4 LEU HD12 H 0.924 -2.968 -1.258 1.00 . A A . 3 LEU HD12 1 1 3 263 1 1 4 LEU HD13 H 0.900 -4.622 -1.832 1.00 . A A . 3 LEU HD13 1 1 3 264 1 1 4 LEU HD21 H -2.586 -3.462 -2.510 1.00 . A A . 3 LEU HD21 1 1 3 265 1 1 4 LEU HD22 H -1.615 -4.703 -1.741 1.00 . A A . 3 LEU HD22 1 1 3 266 1 1 4 LEU HD23 H -1.632 -3.088 -1.079 1.00 . A A . 3 LEU HD23 1 1 3 267 1 1 4 LEU HG H -0.492 -3.967 -3.772 1.00 . A A . 3 LEU HG 1 1 3 268 1 1 4 LEU N N -1.377 -0.867 -1.286 1.00 . A A . 3 LEU N 1 1 3 269 1 1 4 LEU O O -0.073 0.870 -4.043 1.00 . A A . 3 LEU O 1 1 3 270 1 1 5 ASP C C 0.404 3.629 -1.158 1.00 . A A . 4 ASP C 1 1 3 271 1 1 5 ASP CA C -0.551 3.010 -2.182 1.00 . A A . 4 ASP CA 1 1 3 272 1 1 5 ASP CB C -2.000 3.532 -1.963 1.00 . A A . 4 ASP CB 1 1 3 273 1 1 5 ASP CG C -2.437 3.374 -0.496 1.00 . A A . 4 ASP CG 1 1 3 274 1 1 5 ASP H H -0.639 1.240 -1.037 1.00 . A A . 4 ASP H 1 1 3 275 1 1 5 ASP HA H -0.187 3.225 -3.163 1.00 . A A . 4 ASP HA 1 1 3 276 1 1 5 ASP HB2 H -2.050 4.576 -2.239 1.00 . A A . 4 ASP HB2 1 1 3 277 1 1 5 ASP HB3 H -2.687 2.981 -2.587 1.00 . A A . 4 ASP HB3 1 1 3 278 1 1 5 ASP N N -0.494 1.543 -1.949 1.00 . A A . 4 ASP N 1 1 3 279 1 1 5 ASP O O 1.199 4.492 -1.473 1.00 . A A . 4 ASP O 1 1 3 280 1 1 5 ASP OD1 O -2.484 2.236 -0.067 1.00 . A A . 4 ASP OD1 1 1 3 281 1 1 5 ASP OD2 O -2.693 4.397 0.115 1.00 . A A . 4 ASP OD2 1 1 3 282 1 1 6 ALA C C 2.244 2.619 1.422 1.00 . A A . 5 ALA C 1 1 3 283 1 1 6 ALA CA C 1.117 3.609 1.188 1.00 . A A . 5 ALA CA 1 1 3 284 1 1 6 ALA CB C 0.289 3.685 2.468 1.00 . A A . 5 ALA CB 1 1 3 285 1 1 6 ALA H H -0.405 2.446 0.201 1.00 . A A . 5 ALA H 1 1 3 286 1 1 6 ALA HA H 1.539 4.570 0.954 1.00 . A A . 5 ALA HA 1 1 3 287 1 1 6 ALA HB1 H -0.117 2.708 2.685 1.00 . A A . 5 ALA HB1 1 1 3 288 1 1 6 ALA HB2 H 0.920 3.964 3.300 1.00 . A A . 5 ALA HB2 1 1 3 289 1 1 6 ALA HB3 H -0.523 4.389 2.369 1.00 . A A . 5 ALA HB3 1 1 3 290 1 1 6 ALA N N 0.275 3.140 0.048 1.00 . A A . 5 ALA N 1 1 3 291 1 1 6 ALA O O 3.400 2.988 1.464 1.00 . A A . 5 ALA O 1 1 3 292 1 1 7 ASP C C 2.012 -0.435 3.095 1.00 . A A . 6 ASP C 1 1 3 293 1 1 7 ASP CA C 2.589 0.159 1.814 1.00 . A A . 6 ASP CA 1 1 3 294 1 1 7 ASP CB C 4.096 0.438 2.061 1.00 . A A . 6 ASP CB 1 1 3 295 1 1 7 ASP CG C 4.828 -0.879 2.367 1.00 . A A . 6 ASP CG 1 1 3 296 1 1 7 ASP H H 0.819 1.308 1.493 1.00 . A A . 6 ASP H 1 1 3 297 1 1 7 ASP HA H 2.433 -0.530 1.007 1.00 . A A . 6 ASP HA 1 1 3 298 1 1 7 ASP HB2 H 4.539 0.876 1.179 1.00 . A A . 6 ASP HB2 1 1 3 299 1 1 7 ASP HB3 H 4.218 1.119 2.892 1.00 . A A . 6 ASP HB3 1 1 3 300 1 1 7 ASP N N 1.790 1.404 1.562 1.00 . A A . 6 ASP N 1 1 3 301 1 1 7 ASP O O 1.985 -1.635 3.291 1.00 . A A . 6 ASP O 1 1 3 302 1 1 7 ASP OD1 O 4.862 -1.704 1.468 1.00 . A A . 6 ASP OD1 1 1 3 303 1 1 7 ASP OD2 O 5.311 -0.984 3.483 1.00 . A A . 6 ASP OD2 1 1 3 304 1 1 8 PHE C C -0.457 0.690 5.411 1.00 . A A . 7 PHE C 1 1 3 305 1 1 8 PHE CA C 0.960 0.129 5.235 1.00 . A A . 7 PHE CA 1 1 3 306 1 1 8 PHE CB C 1.879 0.665 6.343 1.00 . A A . 7 PHE CB 1 1 3 307 1 1 8 PHE CD1 C 2.384 2.934 5.294 1.00 . A A . 7 PHE CD1 1 1 3 308 1 1 8 PHE CD2 C 1.422 2.870 7.468 1.00 . A A . 7 PHE CD2 1 1 3 309 1 1 8 PHE CE1 C 2.396 4.313 5.337 1.00 . A A . 7 PHE CE1 1 1 3 310 1 1 8 PHE CE2 C 1.432 4.248 7.517 1.00 . A A . 7 PHE CE2 1 1 3 311 1 1 8 PHE CG C 1.897 2.202 6.361 1.00 . A A . 7 PHE CG 1 1 3 312 1 1 8 PHE CZ C 1.920 4.972 6.450 1.00 . A A . 7 PHE CZ 1 1 3 313 1 1 8 PHE H H 1.619 1.403 3.651 1.00 . A A . 7 PHE H 1 1 3 314 1 1 8 PHE HA H 0.919 -0.928 5.309 1.00 . A A . 7 PHE HA 1 1 3 315 1 1 8 PHE HB2 H 1.534 0.301 7.300 1.00 . A A . 7 PHE HB2 1 1 3 316 1 1 8 PHE HB3 H 2.887 0.309 6.181 1.00 . A A . 7 PHE HB3 1 1 3 317 1 1 8 PHE HD1 H 2.746 2.418 4.418 1.00 . A A . 7 PHE HD1 1 1 3 318 1 1 8 PHE HD2 H 1.036 2.295 8.297 1.00 . A A . 7 PHE HD2 1 1 3 319 1 1 8 PHE HE1 H 2.780 4.873 4.499 1.00 . A A . 7 PHE HE1 1 1 3 320 1 1 8 PHE HE2 H 1.056 4.758 8.391 1.00 . A A . 7 PHE HE2 1 1 3 321 1 1 8 PHE HZ H 1.929 6.051 6.487 1.00 . A A . 7 PHE HZ 1 1 3 322 1 1 8 PHE N N 1.562 0.470 3.921 1.00 . A A . 7 PHE N 1 1 3 323 1 1 8 PHE O O -0.823 1.520 4.601 1.00 . A A . 7 PHE O 1 1 3 324 1 1 8 PHE OXT O -1.097 0.261 6.356 1.00 . A A . 7 PHE OXT 1 1 4 325 1 1 2 PHE C C -4.046 -2.248 0.647 1.00 . A A . 1 PHE C 1 1 4 326 1 1 2 PHE CA C -4.463 -3.697 0.863 1.00 . A A . 1 PHE CA 1 1 4 327 1 1 2 PHE CB C -3.697 -4.398 2.050 1.00 . A A . 1 PHE CB 1 1 4 328 1 1 2 PHE CD1 C -1.797 -5.436 0.705 1.00 . A A . 1 PHE CD1 1 1 4 329 1 1 2 PHE CD2 C -1.235 -4.099 2.582 1.00 . A A . 1 PHE CD2 1 1 4 330 1 1 2 PHE CE1 C -0.462 -5.663 0.460 1.00 . A A . 1 PHE CE1 1 1 4 331 1 1 2 PHE CE2 C 0.104 -4.321 2.343 1.00 . A A . 1 PHE CE2 1 1 4 332 1 1 2 PHE CG C -2.200 -4.655 1.766 1.00 . A A . 1 PHE CG 1 1 4 333 1 1 2 PHE CZ C 0.494 -5.106 1.280 1.00 . A A . 1 PHE CZ 1 1 4 334 1 1 2 PHE H H -3.272 -4.411 -0.726 1.00 . A A . 1 PHE H 1 1 4 335 1 1 2 PHE HA H -5.505 -3.741 1.044 1.00 . A A . 1 PHE HA 1 1 4 336 1 1 2 PHE HB2 H -3.783 -3.782 2.934 1.00 . A A . 1 PHE HB2 1 1 4 337 1 1 2 PHE HB3 H -4.168 -5.348 2.260 1.00 . A A . 1 PHE HB3 1 1 4 338 1 1 2 PHE HD1 H -2.540 -5.865 0.053 1.00 . A A . 1 PHE HD1 1 1 4 339 1 1 2 PHE HD2 H -1.536 -3.478 3.412 1.00 . A A . 1 PHE HD2 1 1 4 340 1 1 2 PHE HE1 H -0.171 -6.279 -0.378 1.00 . A A . 1 PHE HE1 1 1 4 341 1 1 2 PHE HE2 H 0.848 -3.879 2.990 1.00 . A A . 1 PHE HE2 1 1 4 342 1 1 2 PHE HZ H 1.544 -5.279 1.094 1.00 . A A . 1 PHE HZ 1 1 4 343 1 1 2 PHE N N -4.178 -4.451 -0.368 1.00 . A A . 1 PHE N 1 1 4 344 1 1 2 PHE O O -4.822 -1.458 0.150 1.00 . A A . 1 PHE O 1 1 4 345 1 1 3 THR C C -1.088 -0.526 -0.068 1.00 . A A . 2 THR C 1 1 4 346 1 1 3 THR CA C -2.271 -0.595 0.887 1.00 . A A . 2 THR CA 1 1 4 347 1 1 3 THR CB C -1.886 -0.152 2.288 1.00 . A A . 2 THR CB 1 1 4 348 1 1 3 THR CG2 C -3.104 -0.283 3.174 1.00 . A A . 2 THR CG2 1 1 4 349 1 1 3 THR H H -2.288 -2.633 1.429 1.00 . A A . 2 THR H 1 1 4 350 1 1 3 THR HA H -3.037 0.073 0.523 1.00 . A A . 2 THR HA 1 1 4 351 1 1 3 THR HB H -1.415 0.815 2.290 1.00 . A A . 2 THR HB 1 1 4 352 1 1 3 THR HG1 H -0.302 -0.692 3.272 1.00 . A A . 2 THR HG1 1 1 4 353 1 1 3 THR HG21 H -3.427 -1.319 3.143 1.00 . A A . 2 THR HG21 1 1 4 354 1 1 3 THR HG22 H -2.871 0.011 4.185 1.00 . A A . 2 THR HG22 1 1 4 355 1 1 3 THR HG23 H -3.876 0.357 2.777 1.00 . A A . 2 THR HG23 1 1 4 356 1 1 3 THR N N -2.841 -1.951 1.024 1.00 . A A . 2 THR N 1 1 4 357 1 1 3 THR O O 0.009 -0.161 0.309 1.00 . A A . 2 THR O 1 1 4 358 1 1 3 THR OG1 O -1.000 -1.147 2.788 1.00 . A A . 2 THR OG1 1 1 4 359 1 1 4 LEU C C -0.270 0.592 -2.922 1.00 . A A . 3 LEU C 1 1 4 360 1 1 4 LEU CA C -0.216 -0.826 -2.313 1.00 . A A . 3 LEU CA 1 1 4 361 1 1 4 LEU CB C -0.446 -1.894 -3.413 1.00 . A A . 3 LEU CB 1 1 4 362 1 1 4 LEU CD1 C 0.875 -3.617 -2.052 1.00 . A A . 3 LEU CD1 1 1 4 363 1 1 4 LEU CD2 C -1.644 -3.691 -2.021 1.00 . A A . 3 LEU CD2 1 1 4 364 1 1 4 LEU CG C -0.409 -3.363 -2.880 1.00 . A A . 3 LEU CG 1 1 4 365 1 1 4 LEU H H -2.228 -1.181 -1.546 1.00 . A A . 3 LEU H 1 1 4 366 1 1 4 LEU HA H 0.740 -0.957 -1.827 1.00 . A A . 3 LEU HA 1 1 4 367 1 1 4 LEU HB2 H -1.399 -1.706 -3.888 1.00 . A A . 3 LEU HB2 1 1 4 368 1 1 4 LEU HB3 H 0.321 -1.779 -4.167 1.00 . A A . 3 LEU HB3 1 1 4 369 1 1 4 LEU HD11 H 1.752 -3.423 -2.652 1.00 . A A . 3 LEU HD11 1 1 4 370 1 1 4 LEU HD12 H 0.904 -2.979 -1.177 1.00 . A A . 3 LEU HD12 1 1 4 371 1 1 4 LEU HD13 H 0.908 -4.644 -1.722 1.00 . A A . 3 LEU HD13 1 1 4 372 1 1 4 LEU HD21 H -2.549 -3.512 -2.584 1.00 . A A . 3 LEU HD21 1 1 4 373 1 1 4 LEU HD22 H -1.615 -4.733 -1.741 1.00 . A A . 3 LEU HD22 1 1 4 374 1 1 4 LEU HD23 H -1.672 -3.103 -1.115 1.00 . A A . 3 LEU HD23 1 1 4 375 1 1 4 LEU HG H -0.401 -4.031 -3.731 1.00 . A A . 3 LEU HG 1 1 4 376 1 1 4 LEU N N -1.328 -0.878 -1.303 1.00 . A A . 3 LEU N 1 1 4 377 1 1 4 LEU O O -0.135 0.816 -4.109 1.00 . A A . 3 LEU O 1 1 4 378 1 1 5 ASP C C 0.330 3.607 -1.142 1.00 . A A . 4 ASP C 1 1 4 379 1 1 5 ASP CA C -0.589 2.954 -2.174 1.00 . A A . 4 ASP CA 1 1 4 380 1 1 5 ASP CB C -2.078 3.348 -1.971 1.00 . A A . 4 ASP CB 1 1 4 381 1 1 5 ASP CG C -2.728 2.483 -0.871 1.00 . A A . 4 ASP CG 1 1 4 382 1 1 5 ASP H H -0.563 1.167 -1.083 1.00 . A A . 4 ASP H 1 1 4 383 1 1 5 ASP HA H -0.241 3.211 -3.152 1.00 . A A . 4 ASP HA 1 1 4 384 1 1 5 ASP HB2 H -2.150 4.386 -1.680 1.00 . A A . 4 ASP HB2 1 1 4 385 1 1 5 ASP HB3 H -2.619 3.215 -2.897 1.00 . A A . 4 ASP HB3 1 1 4 386 1 1 5 ASP N N -0.475 1.487 -1.995 1.00 . A A . 4 ASP N 1 1 4 387 1 1 5 ASP O O 1.055 4.537 -1.439 1.00 . A A . 4 ASP O 1 1 4 388 1 1 5 ASP OD1 O -2.407 2.691 0.287 1.00 . A A . 4 ASP OD1 1 1 4 389 1 1 5 ASP OD2 O -3.515 1.641 -1.263 1.00 . A A . 4 ASP OD2 1 1 4 390 1 1 6 ALA C C 2.223 2.610 1.444 1.00 . A A . 5 ALA C 1 1 4 391 1 1 6 ALA CA C 1.076 3.574 1.195 1.00 . A A . 5 ALA CA 1 1 4 392 1 1 6 ALA CB C 0.239 3.635 2.469 1.00 . A A . 5 ALA CB 1 1 4 393 1 1 6 ALA H H -0.372 2.337 0.187 1.00 . A A . 5 ALA H 1 1 4 394 1 1 6 ALA HA H 1.479 4.543 0.963 1.00 . A A . 5 ALA HA 1 1 4 395 1 1 6 ALA HB1 H -0.151 2.651 2.681 1.00 . A A . 5 ALA HB1 1 1 4 396 1 1 6 ALA HB2 H 0.860 3.923 3.307 1.00 . A A . 5 ALA HB2 1 1 4 397 1 1 6 ALA HB3 H -0.586 4.325 2.367 1.00 . A A . 5 ALA HB3 1 1 4 398 1 1 6 ALA N N 0.255 3.079 0.050 1.00 . A A . 5 ALA N 1 1 4 399 1 1 6 ALA O O 3.368 3.008 1.489 1.00 . A A . 5 ALA O 1 1 4 400 1 1 7 ASP C C 2.035 -0.438 3.131 1.00 . A A . 6 ASP C 1 1 4 401 1 1 7 ASP CA C 2.619 0.158 1.853 1.00 . A A . 6 ASP CA 1 1 4 402 1 1 7 ASP CB C 4.126 0.486 2.096 1.00 . A A . 6 ASP CB 1 1 4 403 1 1 7 ASP CG C 4.920 -0.793 2.414 1.00 . A A . 6 ASP CG 1 1 4 404 1 1 7 ASP H H 0.828 1.267 1.514 1.00 . A A . 6 ASP H 1 1 4 405 1 1 7 ASP HA H 2.484 -0.540 1.051 1.00 . A A . 6 ASP HA 1 1 4 406 1 1 7 ASP HB2 H 4.547 0.944 1.213 1.00 . A A . 6 ASP HB2 1 1 4 407 1 1 7 ASP HB3 H 4.229 1.170 2.926 1.00 . A A . 6 ASP HB3 1 1 4 408 1 1 7 ASP N N 1.796 1.385 1.588 1.00 . A A . 6 ASP N 1 1 4 409 1 1 7 ASP O O 1.983 -1.637 3.318 1.00 . A A . 6 ASP O 1 1 4 410 1 1 7 ASP OD1 O 4.868 -1.204 3.563 1.00 . A A . 6 ASP OD1 1 1 4 411 1 1 7 ASP OD2 O 5.536 -1.289 1.485 1.00 . A A . 6 ASP OD2 1 1 4 412 1 1 8 PHE C C -0.423 0.688 5.446 1.00 . A A . 7 PHE C 1 1 4 413 1 1 8 PHE CA C 1.000 0.139 5.278 1.00 . A A . 7 PHE CA 1 1 4 414 1 1 8 PHE CB C 1.913 0.695 6.381 1.00 . A A . 7 PHE CB 1 1 4 415 1 1 8 PHE CD1 C 2.373 2.967 5.312 1.00 . A A . 7 PHE CD1 1 1 4 416 1 1 8 PHE CD2 C 1.434 2.899 7.496 1.00 . A A . 7 PHE CD2 1 1 4 417 1 1 8 PHE CE1 C 2.365 4.346 5.349 1.00 . A A . 7 PHE CE1 1 1 4 418 1 1 8 PHE CE2 C 1.423 4.278 7.538 1.00 . A A . 7 PHE CE2 1 1 4 419 1 1 8 PHE CG C 1.909 2.234 6.387 1.00 . A A . 7 PHE CG 1 1 4 420 1 1 8 PHE CZ C 1.889 5.004 6.462 1.00 . A A . 7 PHE CZ 1 1 4 421 1 1 8 PHE H H 1.676 1.402 3.692 1.00 . A A . 7 PHE H 1 1 4 422 1 1 8 PHE HA H 0.971 -0.918 5.363 1.00 . A A . 7 PHE HA 1 1 4 423 1 1 8 PHE HB2 H 1.573 0.333 7.340 1.00 . A A . 7 PHE HB2 1 1 4 424 1 1 8 PHE HB3 H 2.924 0.351 6.221 1.00 . A A . 7 PHE HB3 1 1 4 425 1 1 8 PHE HD1 H 2.738 2.454 4.435 1.00 . A A . 7 PHE HD1 1 1 4 426 1 1 8 PHE HD2 H 1.066 2.324 8.332 1.00 . A A . 7 PHE HD2 1 1 4 427 1 1 8 PHE HE1 H 2.731 4.909 4.503 1.00 . A A . 7 PHE HE1 1 1 4 428 1 1 8 PHE HE2 H 1.047 4.787 8.413 1.00 . A A . 7 PHE HE2 1 1 4 429 1 1 8 PHE HZ H 1.882 6.083 6.493 1.00 . A A . 7 PHE HZ 1 1 4 430 1 1 8 PHE N N 1.604 0.471 3.962 1.00 . A A . 7 PHE N 1 1 4 431 1 1 8 PHE O O -0.794 1.513 4.632 1.00 . A A . 7 PHE O 1 1 4 432 1 1 8 PHE OXT O -1.064 0.253 6.389 1.00 . A A . 7 PHE OXT 1 1 5 433 1 1 2 PHE C C -4.113 -2.205 0.622 1.00 . A A . 1 PHE C 1 1 5 434 1 1 2 PHE CA C -4.549 -3.648 0.839 1.00 . A A . 1 PHE CA 1 1 5 435 1 1 2 PHE CB C -3.871 -4.325 2.094 1.00 . A A . 1 PHE CB 1 1 5 436 1 1 2 PHE CD1 C -1.881 -5.386 0.906 1.00 . A A . 1 PHE CD1 1 1 5 437 1 1 2 PHE CD2 C -1.455 -4.014 2.794 1.00 . A A . 1 PHE CD2 1 1 5 438 1 1 2 PHE CE1 C -0.533 -5.615 0.760 1.00 . A A . 1 PHE CE1 1 1 5 439 1 1 2 PHE CE2 C -0.102 -4.239 2.654 1.00 . A A . 1 PHE CE2 1 1 5 440 1 1 2 PHE CG C -2.359 -4.586 1.923 1.00 . A A . 1 PHE CG 1 1 5 441 1 1 2 PHE CZ C 0.363 -5.040 1.635 1.00 . A A . 1 PHE CZ 1 1 5 442 1 1 2 PHE H H -3.260 -4.412 -0.651 1.00 . A A . 1 PHE H 1 1 5 443 1 1 2 PHE HA H -5.599 -3.681 0.955 1.00 . A A . 1 PHE HA 1 1 5 444 1 1 2 PHE HB2 H -4.018 -3.690 2.955 1.00 . A A . 1 PHE HB2 1 1 5 445 1 1 2 PHE HB3 H -4.357 -5.271 2.291 1.00 . A A . 1 PHE HB3 1 1 5 446 1 1 2 PHE HD1 H -2.576 -5.829 0.213 1.00 . A A . 1 PHE HD1 1 1 5 447 1 1 2 PHE HD2 H -1.814 -3.380 3.590 1.00 . A A . 1 PHE HD2 1 1 5 448 1 1 2 PHE HE1 H -0.184 -6.246 -0.045 1.00 . A A . 1 PHE HE1 1 1 5 449 1 1 2 PHE HE2 H 0.594 -3.782 3.345 1.00 . A A . 1 PHE HE2 1 1 5 450 1 1 2 PHE HZ H 1.423 -5.214 1.527 1.00 . A A . 1 PHE HZ 1 1 5 451 1 1 2 PHE N N -4.188 -4.439 -0.349 1.00 . A A . 1 PHE N 1 1 5 452 1 1 2 PHE O O -4.861 -1.417 0.082 1.00 . A A . 1 PHE O 1 1 5 453 1 1 3 THR C C -1.116 -0.520 0.002 1.00 . A A . 2 THR C 1 1 5 454 1 1 3 THR CA C -2.334 -0.563 0.915 1.00 . A A . 2 THR CA 1 1 5 455 1 1 3 THR CB C -1.995 -0.112 2.327 1.00 . A A . 2 THR CB 1 1 5 456 1 1 3 THR CG2 C -3.256 -0.212 3.156 1.00 . A A . 2 THR CG2 1 1 5 457 1 1 3 THR H H -2.391 -2.593 1.481 1.00 . A A . 2 THR H 1 1 5 458 1 1 3 THR HA H -3.078 0.108 0.516 1.00 . A A . 2 THR HA 1 1 5 459 1 1 3 THR HB H -1.503 0.846 2.355 1.00 . A A . 2 THR HB 1 1 5 460 1 1 3 THR HG1 H -0.456 -0.695 3.363 1.00 . A A . 2 THR HG1 1 1 5 461 1 1 3 THR HG21 H -3.592 -1.244 3.128 1.00 . A A . 2 THR HG21 1 1 5 462 1 1 3 THR HG22 H -3.071 0.100 4.170 1.00 . A A . 2 THR HG22 1 1 5 463 1 1 3 THR HG23 H -4.003 0.429 2.712 1.00 . A A . 2 THR HG23 1 1 5 464 1 1 3 THR N N -2.920 -1.913 1.044 1.00 . A A . 2 THR N 1 1 5 465 1 1 3 THR O O -0.035 -0.146 0.412 1.00 . A A . 2 THR O 1 1 5 466 1 1 3 THR OG1 O -1.150 -1.127 2.854 1.00 . A A . 2 THR OG1 1 1 5 467 1 1 4 LEU C C -0.190 0.524 -2.847 1.00 . A A . 3 LEU C 1 1 5 468 1 1 4 LEU CA C -0.152 -0.874 -2.193 1.00 . A A . 3 LEU CA 1 1 5 469 1 1 4 LEU CB C -0.326 -1.977 -3.269 1.00 . A A . 3 LEU CB 1 1 5 470 1 1 4 LEU CD1 C 0.953 -3.637 -1.788 1.00 . A A . 3 LEU CD1 1 1 5 471 1 1 4 LEU CD2 C -1.564 -3.752 -1.884 1.00 . A A . 3 LEU CD2 1 1 5 472 1 1 4 LEU CG C -0.292 -3.429 -2.688 1.00 . A A . 3 LEU CG 1 1 5 473 1 1 4 LEU H H -2.197 -1.213 -1.503 1.00 . A A . 3 LEU H 1 1 5 474 1 1 4 LEU HA H 0.784 -0.982 -1.663 1.00 . A A . 3 LEU HA 1 1 5 475 1 1 4 LEU HB2 H -1.260 -1.818 -3.788 1.00 . A A . 3 LEU HB2 1 1 5 476 1 1 4 LEU HB3 H 0.470 -1.876 -3.993 1.00 . A A . 3 LEU HB3 1 1 5 477 1 1 4 LEU HD11 H 1.856 -3.450 -2.349 1.00 . A A . 3 LEU HD11 1 1 5 478 1 1 4 LEU HD12 H 0.929 -2.972 -0.934 1.00 . A A . 3 LEU HD12 1 1 5 479 1 1 4 LEU HD13 H 0.982 -4.653 -1.423 1.00 . A A . 3 LEU HD13 1 1 5 480 1 1 4 LEU HD21 H -2.439 -3.612 -2.501 1.00 . A A . 3 LEU HD21 1 1 5 481 1 1 4 LEU HD22 H -1.530 -4.783 -1.566 1.00 . A A . 3 LEU HD22 1 1 5 482 1 1 4 LEU HD23 H -1.650 -3.133 -1.003 1.00 . A A . 3 LEU HD23 1 1 5 483 1 1 4 LEU HG H -0.229 -4.120 -3.516 1.00 . A A . 3 LEU HG 1 1 5 484 1 1 4 LEU N N -1.307 -0.903 -1.231 1.00 . A A . 3 LEU N 1 1 5 485 1 1 4 LEU O O -0.003 0.716 -4.033 1.00 . A A . 3 LEU O 1 1 5 486 1 1 5 ASP C C 0.323 3.585 -1.130 1.00 . A A . 4 ASP C 1 1 5 487 1 1 5 ASP CA C -0.557 2.905 -2.178 1.00 . A A . 4 ASP CA 1 1 5 488 1 1 5 ASP CB C -2.054 3.298 -2.035 1.00 . A A . 4 ASP CB 1 1 5 489 1 1 5 ASP CG C -2.736 2.465 -0.932 1.00 . A A . 4 ASP CG 1 1 5 490 1 1 5 ASP H H -0.566 1.147 -1.040 1.00 . A A . 4 ASP H 1 1 5 491 1 1 5 ASP HA H -0.175 3.139 -3.149 1.00 . A A . 4 ASP HA 1 1 5 492 1 1 5 ASP HB2 H -2.139 4.344 -1.779 1.00 . A A . 4 ASP HB2 1 1 5 493 1 1 5 ASP HB3 H -2.563 3.135 -2.975 1.00 . A A . 4 ASP HB3 1 1 5 494 1 1 5 ASP N N -0.439 1.443 -1.956 1.00 . A A . 4 ASP N 1 1 5 495 1 1 5 ASP O O 1.054 4.510 -1.422 1.00 . A A . 4 ASP O 1 1 5 496 1 1 5 ASP OD1 O -2.457 2.710 0.228 1.00 . A A . 4 ASP OD1 1 1 5 497 1 1 5 ASP OD2 O -3.505 1.605 -1.325 1.00 . A A . 4 ASP OD2 1 1 5 498 1 1 6 ALA C C 2.180 2.685 1.457 1.00 . A A . 5 ALA C 1 1 5 499 1 1 6 ALA CA C 0.993 3.603 1.230 1.00 . A A . 5 ALA CA 1 1 5 500 1 1 6 ALA CB C 0.147 3.593 2.504 1.00 . A A . 5 ALA CB 1 1 5 501 1 1 6 ALA H H -0.418 2.340 0.203 1.00 . A A . 5 ALA H 1 1 5 502 1 1 6 ALA HA H 1.349 4.596 1.014 1.00 . A A . 5 ALA HA 1 1 5 503 1 1 6 ALA HB1 H -0.177 2.583 2.717 1.00 . A A . 5 ALA HB1 1 1 5 504 1 1 6 ALA HB2 H 0.748 3.916 3.341 1.00 . A A . 5 ALA HB2 1 1 5 505 1 1 6 ALA HB3 H -0.719 4.228 2.405 1.00 . A A . 5 ALA HB3 1 1 5 506 1 1 6 ALA N N 0.211 3.081 0.069 1.00 . A A . 5 ALA N 1 1 5 507 1 1 6 ALA O O 3.307 3.129 1.533 1.00 . A A . 5 ALA O 1 1 5 508 1 1 7 ASP C C 2.101 -0.416 3.038 1.00 . A A . 6 ASP C 1 1 5 509 1 1 7 ASP CA C 2.666 0.233 1.778 1.00 . A A . 6 ASP CA 1 1 5 510 1 1 7 ASP CB C 4.160 0.606 2.029 1.00 . A A . 6 ASP CB 1 1 5 511 1 1 7 ASP CG C 4.999 -0.660 2.279 1.00 . A A . 6 ASP CG 1 1 5 512 1 1 7 ASP H H 0.840 1.288 1.460 1.00 . A A . 6 ASP H 1 1 5 513 1 1 7 ASP HA H 2.554 -0.445 0.954 1.00 . A A . 6 ASP HA 1 1 5 514 1 1 7 ASP HB2 H 4.561 1.122 1.168 1.00 . A A . 6 ASP HB2 1 1 5 515 1 1 7 ASP HB3 H 4.244 1.251 2.892 1.00 . A A . 6 ASP HB3 1 1 5 516 1 1 7 ASP N N 1.803 1.438 1.548 1.00 . A A . 6 ASP N 1 1 5 517 1 1 7 ASP O O 2.092 -1.621 3.195 1.00 . A A . 6 ASP O 1 1 5 518 1 1 7 ASP OD1 O 4.972 -1.127 3.405 1.00 . A A . 6 ASP OD1 1 1 5 519 1 1 7 ASP OD2 O 5.618 -1.090 1.320 1.00 . A A . 6 ASP OD2 1 1 5 520 1 1 8 PHE C C -0.430 0.512 5.299 1.00 . A A . 7 PHE C 1 1 5 521 1 1 8 PHE CA C 1.036 0.079 5.189 1.00 . A A . 7 PHE CA 1 1 5 522 1 1 8 PHE CB C 1.878 0.712 6.318 1.00 . A A . 7 PHE CB 1 1 5 523 1 1 8 PHE CD1 C 2.312 2.988 5.256 1.00 . A A . 7 PHE CD1 1 1 5 524 1 1 8 PHE CD2 C 1.290 2.906 7.401 1.00 . A A . 7 PHE CD2 1 1 5 525 1 1 8 PHE CE1 C 2.267 4.366 5.283 1.00 . A A . 7 PHE CE1 1 1 5 526 1 1 8 PHE CE2 C 1.241 4.284 7.434 1.00 . A A . 7 PHE CE2 1 1 5 527 1 1 8 PHE CG C 1.826 2.248 6.316 1.00 . A A . 7 PHE CG 1 1 5 528 1 1 8 PHE CZ C 1.730 5.016 6.373 1.00 . A A . 7 PHE CZ 1 1 5 529 1 1 8 PHE H H 1.674 1.397 3.640 1.00 . A A . 7 PHE H 1 1 5 530 1 1 8 PHE HA H 1.105 -0.976 5.282 1.00 . A A . 7 PHE HA 1 1 5 531 1 1 8 PHE HB2 H 1.513 0.348 7.268 1.00 . A A . 7 PHE HB2 1 1 5 532 1 1 8 PHE HB3 H 2.908 0.404 6.209 1.00 . A A . 7 PHE HB3 1 1 5 533 1 1 8 PHE HD1 H 2.720 2.478 4.397 1.00 . A A . 7 PHE HD1 1 1 5 534 1 1 8 PHE HD2 H 0.905 2.326 8.225 1.00 . A A . 7 PHE HD2 1 1 5 535 1 1 8 PHE HE1 H 2.652 4.933 4.449 1.00 . A A . 7 PHE HE1 1 1 5 536 1 1 8 PHE HE2 H 0.818 4.787 8.290 1.00 . A A . 7 PHE HE2 1 1 5 537 1 1 8 PHE HZ H 1.694 6.096 6.397 1.00 . A A . 7 PHE HZ 1 1 5 538 1 1 8 PHE N N 1.633 0.458 3.888 1.00 . A A . 7 PHE N 1 1 5 539 1 1 8 PHE O O -1.192 -0.310 5.775 1.00 . A A . 7 PHE O 1 1 5 540 1 1 8 PHE OXT O -0.710 1.632 4.907 1.00 . A A . 7 PHE OXT 1 1 6 541 1 1 2 PHE C C -3.903 -2.295 0.762 1.00 . A A . 1 PHE C 1 1 6 542 1 1 2 PHE CA C -4.136 -3.762 1.103 1.00 . A A . 1 PHE CA 1 1 6 543 1 1 2 PHE CB C -3.119 -4.340 2.170 1.00 . A A . 1 PHE CB 1 1 6 544 1 1 2 PHE CD1 C -1.322 -5.115 0.539 1.00 . A A . 1 PHE CD1 1 1 6 545 1 1 2 PHE CD2 C -0.661 -3.741 2.355 1.00 . A A . 1 PHE CD2 1 1 6 546 1 1 2 PHE CE1 C -0.023 -5.170 0.094 1.00 . A A . 1 PHE CE1 1 1 6 547 1 1 2 PHE CE2 C 0.645 -3.788 1.916 1.00 . A A . 1 PHE CE2 1 1 6 548 1 1 2 PHE CG C -1.658 -4.406 1.670 1.00 . A A . 1 PHE CG 1 1 6 549 1 1 2 PHE CZ C 0.967 -4.504 0.783 1.00 . A A . 1 PHE CZ 1 1 6 550 1 1 2 PHE H H -3.156 -4.377 -0.657 1.00 . A A . 1 PHE H 1 1 6 551 1 1 2 PHE HA H -5.128 -3.895 1.446 1.00 . A A . 1 PHE HA 1 1 6 552 1 1 2 PHE HB2 H -3.155 -3.726 3.059 1.00 . A A . 1 PHE HB2 1 1 6 553 1 1 2 PHE HB3 H -3.426 -5.339 2.446 1.00 . A A . 1 PHE HB3 1 1 6 554 1 1 2 PHE HD1 H -2.092 -5.631 -0.009 1.00 . A A . 1 PHE HD1 1 1 6 555 1 1 2 PHE HD2 H -0.910 -3.175 3.238 1.00 . A A . 1 PHE HD2 1 1 6 556 1 1 2 PHE HE1 H 0.208 -5.735 -0.797 1.00 . A A . 1 PHE HE1 1 1 6 557 1 1 2 PHE HE2 H 1.416 -3.263 2.462 1.00 . A A . 1 PHE HE2 1 1 6 558 1 1 2 PHE HZ H 1.993 -4.537 0.443 1.00 . A A . 1 PHE HZ 1 1 6 559 1 1 2 PHE N N -3.969 -4.528 -0.139 1.00 . A A . 1 PHE N 1 1 6 560 1 1 2 PHE O O -4.808 -1.616 0.320 1.00 . A A . 1 PHE O 1 1 6 561 1 1 3 THR C C -1.204 -0.373 -0.367 1.00 . A A . 2 THR C 1 1 6 562 1 1 3 THR CA C -2.291 -0.466 0.699 1.00 . A A . 2 THR CA 1 1 6 563 1 1 3 THR CB C -1.803 0.119 1.998 1.00 . A A . 2 THR CB 1 1 6 564 1 1 3 THR CG2 C -2.855 -0.102 3.067 1.00 . A A . 2 THR CG2 1 1 6 565 1 1 3 THR H H -2.034 -2.450 1.344 1.00 . A A . 2 THR H 1 1 6 566 1 1 3 THR HA H -3.150 0.093 0.356 1.00 . A A . 2 THR HA 1 1 6 567 1 1 3 THR HB H -1.460 1.129 1.868 1.00 . A A . 2 THR HB 1 1 6 568 1 1 3 THR HG1 H -0.813 -1.002 3.286 1.00 . A A . 2 THR HG1 1 1 6 569 1 1 3 THR HG21 H -3.027 -1.171 3.150 1.00 . A A . 2 THR HG21 1 1 6 570 1 1 3 THR HG22 H -2.520 0.300 4.010 1.00 . A A . 2 THR HG22 1 1 6 571 1 1 3 THR HG23 H -3.769 0.387 2.766 1.00 . A A . 2 THR HG23 1 1 6 572 1 1 3 THR N N -2.701 -1.857 0.973 1.00 . A A . 2 THR N 1 1 6 573 1 1 3 THR O O -0.075 -0.007 -0.093 1.00 . A A . 2 THR O 1 1 6 574 1 1 3 THR OG1 O -0.727 -0.728 2.370 1.00 . A A . 2 THR OG1 1 1 6 575 1 1 4 LEU C C -0.496 0.825 -3.187 1.00 . A A . 3 LEU C 1 1 6 576 1 1 4 LEU CA C -0.548 -0.633 -2.675 1.00 . A A . 3 LEU CA 1 1 6 577 1 1 4 LEU CB C -0.970 -1.607 -3.803 1.00 . A A . 3 LEU CB 1 1 6 578 1 1 4 LEU CD1 C 0.562 -3.473 -2.959 1.00 . A A . 3 LEU CD1 1 1 6 579 1 1 4 LEU CD2 C -1.827 -3.438 -2.191 1.00 . A A . 3 LEU CD2 1 1 6 580 1 1 4 LEU CG C -0.886 -3.113 -3.374 1.00 . A A . 3 LEU CG 1 1 6 581 1 1 4 LEU H H -2.473 -1.021 -1.733 1.00 . A A . 3 LEU H 1 1 6 582 1 1 4 LEU HA H 0.429 -0.886 -2.289 1.00 . A A . 3 LEU HA 1 1 6 583 1 1 4 LEU HB2 H -1.980 -1.375 -4.111 1.00 . A A . 3 LEU HB2 1 1 6 584 1 1 4 LEU HB3 H -0.324 -1.451 -4.656 1.00 . A A . 3 LEU HB3 1 1 6 585 1 1 4 LEU HD11 H 1.244 -3.281 -3.774 1.00 . A A . 3 LEU HD11 1 1 6 586 1 1 4 LEU HD12 H 0.874 -2.894 -2.100 1.00 . A A . 3 LEU HD12 1 1 6 587 1 1 4 LEU HD13 H 0.624 -4.519 -2.700 1.00 . A A . 3 LEU HD13 1 1 6 588 1 1 4 LEU HD21 H -2.847 -3.180 -2.435 1.00 . A A . 3 LEU HD21 1 1 6 589 1 1 4 LEU HD22 H -1.774 -4.496 -1.988 1.00 . A A . 3 LEU HD22 1 1 6 590 1 1 4 LEU HD23 H -1.538 -2.913 -1.289 1.00 . A A . 3 LEU HD23 1 1 6 591 1 1 4 LEU HG H -1.166 -3.727 -4.219 1.00 . A A . 3 LEU HG 1 1 6 592 1 1 4 LEU N N -1.559 -0.709 -1.574 1.00 . A A . 3 LEU N 1 1 6 593 1 1 4 LEU O O -0.397 1.104 -4.366 1.00 . A A . 3 LEU O 1 1 6 594 1 1 5 ASP C C 0.514 3.652 -1.350 1.00 . A A . 4 ASP C 1 1 6 595 1 1 5 ASP CA C -0.541 3.170 -2.352 1.00 . A A . 4 ASP CA 1 1 6 596 1 1 5 ASP CB C -1.933 3.772 -2.004 1.00 . A A . 4 ASP CB 1 1 6 597 1 1 5 ASP CG C -2.297 3.527 -0.529 1.00 . A A . 4 ASP CG 1 1 6 598 1 1 5 ASP H H -0.652 1.356 -1.308 1.00 . A A . 4 ASP H 1 1 6 599 1 1 5 ASP HA H -0.221 3.425 -3.338 1.00 . A A . 4 ASP HA 1 1 6 600 1 1 5 ASP HB2 H -1.921 4.836 -2.196 1.00 . A A . 4 ASP HB2 1 1 6 601 1 1 5 ASP HB3 H -2.694 3.321 -2.626 1.00 . A A . 4 ASP HB3 1 1 6 602 1 1 5 ASP N N -0.570 1.693 -2.213 1.00 . A A . 4 ASP N 1 1 6 603 1 1 5 ASP O O 1.354 4.472 -1.668 1.00 . A A . 4 ASP O 1 1 6 604 1 1 5 ASP OD1 O -2.440 2.366 -0.192 1.00 . A A . 4 ASP OD1 1 1 6 605 1 1 5 ASP OD2 O -2.405 4.507 0.186 1.00 . A A . 4 ASP OD2 1 1 6 606 1 1 6 ALA C C 2.272 2.282 1.295 1.00 . A A . 5 ALA C 1 1 6 607 1 1 6 ALA CA C 1.361 3.456 0.943 1.00 . A A . 5 ALA CA 1 1 6 608 1 1 6 ALA CB C 0.567 3.849 2.193 1.00 . A A . 5 ALA CB 1 1 6 609 1 1 6 ALA H H -0.300 2.456 -0.009 1.00 . A A . 5 ALA H 1 1 6 610 1 1 6 ALA HA H 1.978 4.280 0.640 1.00 . A A . 5 ALA HA 1 1 6 611 1 1 6 ALA HB1 H -0.088 4.682 1.983 1.00 . A A . 5 ALA HB1 1 1 6 612 1 1 6 ALA HB2 H -0.015 3.019 2.570 1.00 . A A . 5 ALA HB2 1 1 6 613 1 1 6 ALA HB3 H 1.270 4.138 2.955 1.00 . A A . 5 ALA HB3 1 1 6 614 1 1 6 ALA N N 0.418 3.106 -0.162 1.00 . A A . 5 ALA N 1 1 6 615 1 1 6 ALA O O 3.476 2.397 1.183 1.00 . A A . 5 ALA O 1 1 6 616 1 1 7 ASP C C 2.051 -0.163 3.673 1.00 . A A . 6 ASP C 1 1 6 617 1 1 7 ASP CA C 2.191 -0.102 2.140 1.00 . A A . 6 ASP CA 1 1 6 618 1 1 7 ASP CB C 3.695 -0.227 1.760 1.00 . A A . 6 ASP CB 1 1 6 619 1 1 7 ASP CG C 4.193 -1.672 1.950 1.00 . A A . 6 ASP CG 1 1 6 620 1 1 7 ASP H H 0.644 1.329 1.732 1.00 . A A . 6 ASP H 1 1 6 621 1 1 7 ASP HA H 1.615 -0.900 1.697 1.00 . A A . 6 ASP HA 1 1 6 622 1 1 7 ASP HB2 H 3.831 0.054 0.729 1.00 . A A . 6 ASP HB2 1 1 6 623 1 1 7 ASP HB3 H 4.271 0.435 2.393 1.00 . A A . 6 ASP HB3 1 1 6 624 1 1 7 ASP N N 1.616 1.228 1.708 1.00 . A A . 6 ASP N 1 1 6 625 1 1 7 ASP O O 2.905 -0.653 4.385 1.00 . A A . 6 ASP O 1 1 6 626 1 1 7 ASP OD1 O 3.643 -2.528 1.273 1.00 . A A . 6 ASP OD1 1 1 6 627 1 1 7 ASP OD2 O 5.094 -1.847 2.753 1.00 . A A . 6 ASP OD2 1 1 6 628 1 1 8 PHE C C -0.328 -0.737 6.035 1.00 . A A . 7 PHE C 1 1 6 629 1 1 8 PHE CA C 0.633 0.391 5.596 1.00 . A A . 7 PHE CA 1 1 6 630 1 1 8 PHE CB C -0.021 1.745 5.979 1.00 . A A . 7 PHE CB 1 1 6 631 1 1 8 PHE CD1 C 1.990 2.982 4.938 1.00 . A A . 7 PHE CD1 1 1 6 632 1 1 8 PHE CD2 C 0.524 4.168 6.374 1.00 . A A . 7 PHE CD2 1 1 6 633 1 1 8 PHE CE1 C 2.735 4.115 4.759 1.00 . A A . 7 PHE CE1 1 1 6 634 1 1 8 PHE CE2 C 1.276 5.312 6.196 1.00 . A A . 7 PHE CE2 1 1 6 635 1 1 8 PHE CG C 0.870 2.985 5.747 1.00 . A A . 7 PHE CG 1 1 6 636 1 1 8 PHE CZ C 2.388 5.288 5.385 1.00 . A A . 7 PHE CZ 1 1 6 637 1 1 8 PHE H H 0.318 0.745 3.491 1.00 . A A . 7 PHE H 1 1 6 638 1 1 8 PHE HA H 1.562 0.305 6.129 1.00 . A A . 7 PHE HA 1 1 6 639 1 1 8 PHE HB2 H -0.930 1.868 5.410 1.00 . A A . 7 PHE HB2 1 1 6 640 1 1 8 PHE HB3 H -0.285 1.714 7.027 1.00 . A A . 7 PHE HB3 1 1 6 641 1 1 8 PHE HD1 H 2.313 2.099 4.420 1.00 . A A . 7 PHE HD1 1 1 6 642 1 1 8 PHE HD2 H -0.346 4.197 7.011 1.00 . A A . 7 PHE HD2 1 1 6 643 1 1 8 PHE HE1 H 3.585 4.053 4.103 1.00 . A A . 7 PHE HE1 1 1 6 644 1 1 8 PHE HE2 H 0.989 6.227 6.693 1.00 . A A . 7 PHE HE2 1 1 6 645 1 1 8 PHE HZ H 2.979 6.180 5.242 1.00 . A A . 7 PHE HZ 1 1 6 646 1 1 8 PHE N N 0.941 0.360 4.131 1.00 . A A . 7 PHE N 1 1 6 647 1 1 8 PHE O O -0.839 -1.427 5.170 1.00 . A A . 7 PHE O 1 1 6 648 1 1 8 PHE OXT O -0.509 -0.850 7.236 1.00 . A A . 7 PHE OXT 1 1 7 649 1 1 2 PHE C C -4.110 -2.241 0.580 1.00 . A A . 1 PHE C 1 1 7 650 1 1 2 PHE CA C -4.540 -3.693 0.757 1.00 . A A . 1 PHE CA 1 1 7 651 1 1 2 PHE CB C -3.855 -4.401 1.991 1.00 . A A . 1 PHE CB 1 1 7 652 1 1 2 PHE CD1 C -1.873 -5.437 0.769 1.00 . A A . 1 PHE CD1 1 1 7 653 1 1 2 PHE CD2 C -1.432 -4.109 2.683 1.00 . A A . 1 PHE CD2 1 1 7 654 1 1 2 PHE CE1 C -0.525 -5.665 0.609 1.00 . A A . 1 PHE CE1 1 1 7 655 1 1 2 PHE CE2 C -0.081 -4.332 2.530 1.00 . A A . 1 PHE CE2 1 1 7 656 1 1 2 PHE CG C -2.343 -4.659 1.805 1.00 . A A . 1 PHE CG 1 1 7 657 1 1 2 PHE CZ C 0.376 -5.112 1.492 1.00 . A A . 1 PHE CZ 1 1 7 658 1 1 2 PHE H H -3.253 -4.405 -0.760 1.00 . A A . 1 PHE H 1 1 7 659 1 1 2 PHE HA H -5.590 -3.734 0.872 1.00 . A A . 1 PHE HA 1 1 7 660 1 1 2 PHE HB2 H -3.996 -3.788 2.870 1.00 . A A . 1 PHE HB2 1 1 7 661 1 1 2 PHE HB3 H -4.340 -5.350 2.167 1.00 . A A . 1 PHE HB3 1 1 7 662 1 1 2 PHE HD1 H -2.572 -5.864 0.068 1.00 . A A . 1 PHE HD1 1 1 7 663 1 1 2 PHE HD2 H -1.786 -3.491 3.495 1.00 . A A . 1 PHE HD2 1 1 7 664 1 1 2 PHE HE1 H -0.181 -6.279 -0.211 1.00 . A A . 1 PHE HE1 1 1 7 665 1 1 2 PHE HE2 H 0.620 -3.891 3.227 1.00 . A A . 1 PHE HE2 1 1 7 666 1 1 2 PHE HZ H 1.437 -5.285 1.372 1.00 . A A . 1 PHE HZ 1 1 7 667 1 1 2 PHE N N -4.178 -4.446 -0.455 1.00 . A A . 1 PHE N 1 1 7 668 1 1 2 PHE O O -4.862 -1.436 0.071 1.00 . A A . 1 PHE O 1 1 7 669 1 1 3 THR C C -1.108 -0.535 0.013 1.00 . A A . 2 THR C 1 1 7 670 1 1 3 THR CA C -2.331 -0.604 0.909 1.00 . A A . 2 THR CA 1 1 7 671 1 1 3 THR CB C -2.007 -0.178 2.336 1.00 . A A . 2 THR CB 1 1 7 672 1 1 3 THR CG2 C -3.282 -0.292 3.141 1.00 . A A . 2 THR CG2 1 1 7 673 1 1 3 THR H H -2.385 -2.651 1.418 1.00 . A A . 2 THR H 1 1 7 674 1 1 3 THR HA H -3.070 0.075 0.505 1.00 . A A . 2 THR HA 1 1 7 675 1 1 3 THR HB H -1.507 0.775 2.393 1.00 . A A . 2 THR HB 1 1 7 676 1 1 3 THR HG1 H -0.507 -0.802 3.415 1.00 . A A . 2 THR HG1 1 1 7 677 1 1 3 THR HG21 H -3.612 -1.324 3.087 1.00 . A A . 2 THR HG21 1 1 7 678 1 1 3 THR HG22 H -3.118 0.002 4.164 1.00 . A A . 2 THR HG22 1 1 7 679 1 1 3 THR HG23 H -4.021 0.355 2.694 1.00 . A A . 2 THR HG23 1 1 7 680 1 1 3 THR N N -2.916 -1.958 1.003 1.00 . A A . 2 THR N 1 1 7 681 1 1 3 THR O O -0.035 -0.161 0.444 1.00 . A A . 2 THR O 1 1 7 682 1 1 3 THR OG1 O -1.177 -1.210 2.853 1.00 . A A . 2 THR OG1 1 1 7 683 1 1 4 LEU C C -0.219 0.576 -2.794 1.00 . A A . 3 LEU C 1 1 7 684 1 1 4 LEU CA C -0.119 -0.837 -2.176 1.00 . A A . 3 LEU CA 1 1 7 685 1 1 4 LEU CB C -0.264 -1.919 -3.277 1.00 . A A . 3 LEU CB 1 1 7 686 1 1 4 LEU CD1 C 0.985 -3.608 -1.811 1.00 . A A . 3 LEU CD1 1 1 7 687 1 1 4 LEU CD2 C -1.533 -3.723 -1.961 1.00 . A A . 3 LEU CD2 1 1 7 688 1 1 4 LEU CG C -0.242 -3.382 -2.731 1.00 . A A . 3 LEU CG 1 1 7 689 1 1 4 LEU H H -2.165 -1.205 -1.521 1.00 . A A . 3 LEU H 1 1 7 690 1 1 4 LEU HA H 0.817 -0.924 -1.644 1.00 . A A . 3 LEU HA 1 1 7 691 1 1 4 LEU HB2 H -1.189 -1.749 -3.811 1.00 . A A . 3 LEU HB2 1 1 7 692 1 1 4 LEU HB3 H 0.545 -1.798 -3.983 1.00 . A A . 3 LEU HB3 1 1 7 693 1 1 4 LEU HD11 H 1.899 -3.407 -2.350 1.00 . A A . 3 LEU HD11 1 1 7 694 1 1 4 LEU HD12 H 0.942 -2.961 -0.945 1.00 . A A . 3 LEU HD12 1 1 7 695 1 1 4 LEU HD13 H 1.010 -4.631 -1.467 1.00 . A A . 3 LEU HD13 1 1 7 696 1 1 4 LEU HD21 H -2.395 -3.562 -2.591 1.00 . A A . 3 LEU HD21 1 1 7 697 1 1 4 LEU HD22 H -1.509 -4.762 -1.671 1.00 . A A . 3 LEU HD22 1 1 7 698 1 1 4 LEU HD23 H -1.635 -3.128 -1.065 1.00 . A A . 3 LEU HD23 1 1 7 699 1 1 4 LEU HG H -0.162 -4.055 -3.573 1.00 . A A . 3 LEU HG 1 1 7 700 1 1 4 LEU N N -1.281 -0.894 -1.229 1.00 . A A . 3 LEU N 1 1 7 701 1 1 4 LEU O O -0.060 0.796 -3.979 1.00 . A A . 3 LEU O 1 1 7 702 1 1 5 ASP C C 0.309 3.580 -1.124 1.00 . A A . 4 ASP C 1 1 7 703 1 1 5 ASP CA C -0.660 2.928 -2.102 1.00 . A A . 4 ASP CA 1 1 7 704 1 1 5 ASP CB C -2.110 3.351 -1.763 1.00 . A A . 4 ASP CB 1 1 7 705 1 1 5 ASP CG C -3.129 2.353 -2.341 1.00 . A A . 4 ASP CG 1 1 7 706 1 1 5 ASP H H -0.582 1.165 -0.967 1.00 . A A . 4 ASP H 1 1 7 707 1 1 5 ASP HA H -0.380 3.174 -3.104 1.00 . A A . 4 ASP HA 1 1 7 708 1 1 5 ASP HB2 H -2.255 3.406 -0.693 1.00 . A A . 4 ASP HB2 1 1 7 709 1 1 5 ASP HB3 H -2.301 4.330 -2.179 1.00 . A A . 4 ASP HB3 1 1 7 710 1 1 5 ASP N N -0.487 1.472 -1.881 1.00 . A A . 4 ASP N 1 1 7 711 1 1 5 ASP O O 1.089 4.446 -1.465 1.00 . A A . 4 ASP O 1 1 7 712 1 1 5 ASP OD1 O -3.189 1.264 -1.787 1.00 . A A . 4 ASP OD1 1 1 7 713 1 1 5 ASP OD2 O -3.783 2.729 -3.297 1.00 . A A . 4 ASP OD2 1 1 7 714 1 1 6 ALA C C 2.213 2.625 1.412 1.00 . A A . 5 ALA C 1 1 7 715 1 1 6 ALA CA C 1.051 3.595 1.216 1.00 . A A . 5 ALA CA 1 1 7 716 1 1 6 ALA CB C 0.212 3.653 2.508 1.00 . A A . 5 ALA CB 1 1 7 717 1 1 6 ALA H H -0.474 2.407 0.252 1.00 . A A . 5 ALA H 1 1 7 718 1 1 6 ALA HA H 1.445 4.567 0.977 1.00 . A A . 5 ALA HA 1 1 7 719 1 1 6 ALA HB1 H -0.636 4.307 2.384 1.00 . A A . 5 ALA HB1 1 1 7 720 1 1 6 ALA HB2 H -0.142 2.659 2.741 1.00 . A A . 5 ALA HB2 1 1 7 721 1 1 6 ALA HB3 H 0.792 3.996 3.356 1.00 . A A . 5 ALA HB3 1 1 7 722 1 1 6 ALA N N 0.198 3.104 0.090 1.00 . A A . 5 ALA N 1 1 7 723 1 1 6 ALA O O 3.360 3.024 1.420 1.00 . A A . 5 ALA O 1 1 7 724 1 1 7 ASP C C 2.080 -0.427 3.083 1.00 . A A . 6 ASP C 1 1 7 725 1 1 7 ASP CA C 2.622 0.153 1.777 1.00 . A A . 6 ASP CA 1 1 7 726 1 1 7 ASP CB C 4.144 0.473 1.931 1.00 . A A . 6 ASP CB 1 1 7 727 1 1 7 ASP CG C 4.940 -0.801 2.254 1.00 . A A . 6 ASP CG 1 1 7 728 1 1 7 ASP H H 0.829 1.281 1.512 1.00 . A A . 6 ASP H 1 1 7 729 1 1 7 ASP HA H 2.449 -0.547 0.990 1.00 . A A . 6 ASP HA 1 1 7 730 1 1 7 ASP HB2 H 4.518 0.891 1.008 1.00 . A A . 6 ASP HB2 1 1 7 731 1 1 7 ASP HB3 H 4.306 1.187 2.717 1.00 . A A . 6 ASP HB3 1 1 7 732 1 1 7 ASP N N 1.798 1.395 1.555 1.00 . A A . 6 ASP N 1 1 7 733 1 1 7 ASP O O 2.041 -1.622 3.307 1.00 . A A . 6 ASP O 1 1 7 734 1 1 7 ASP OD1 O 4.950 -1.164 3.420 1.00 . A A . 6 ASP OD1 1 1 7 735 1 1 7 ASP OD2 O 5.496 -1.344 1.312 1.00 . A A . 6 ASP OD2 1 1 7 736 1 1 8 PHE C C -0.404 0.622 5.244 1.00 . A A . 7 PHE C 1 1 7 737 1 1 8 PHE CA C 1.088 0.268 5.234 1.00 . A A . 7 PHE CA 1 1 7 738 1 1 8 PHE CB C 1.856 1.135 6.260 1.00 . A A . 7 PHE CB 1 1 7 739 1 1 8 PHE CD1 C 3.730 2.185 4.931 1.00 . A A . 7 PHE CD1 1 1 7 740 1 1 8 PHE CD2 C 1.910 3.590 5.536 1.00 . A A . 7 PHE CD2 1 1 7 741 1 1 8 PHE CE1 C 4.344 3.245 4.299 1.00 . A A . 7 PHE CE1 1 1 7 742 1 1 8 PHE CE2 C 2.522 4.651 4.902 1.00 . A A . 7 PHE CE2 1 1 7 743 1 1 8 PHE CG C 2.509 2.347 5.559 1.00 . A A . 7 PHE CG 1 1 7 744 1 1 8 PHE CZ C 3.740 4.482 4.283 1.00 . A A . 7 PHE CZ 1 1 7 745 1 1 8 PHE H H 1.741 1.431 3.589 1.00 . A A . 7 PHE H 1 1 7 746 1 1 8 PHE HA H 1.211 -0.773 5.466 1.00 . A A . 7 PHE HA 1 1 7 747 1 1 8 PHE HB2 H 1.184 1.491 7.029 1.00 . A A . 7 PHE HB2 1 1 7 748 1 1 8 PHE HB3 H 2.629 0.542 6.728 1.00 . A A . 7 PHE HB3 1 1 7 749 1 1 8 PHE HD1 H 4.200 1.210 4.923 1.00 . A A . 7 PHE HD1 1 1 7 750 1 1 8 PHE HD2 H 0.948 3.736 5.997 1.00 . A A . 7 PHE HD2 1 1 7 751 1 1 8 PHE HE1 H 5.298 3.102 3.813 1.00 . A A . 7 PHE HE1 1 1 7 752 1 1 8 PHE HE2 H 2.037 5.614 4.888 1.00 . A A . 7 PHE HE2 1 1 7 753 1 1 8 PHE HZ H 4.220 5.313 3.787 1.00 . A A . 7 PHE HZ 1 1 7 754 1 1 8 PHE N N 1.665 0.506 3.890 1.00 . A A . 7 PHE N 1 1 7 755 1 1 8 PHE O O -1.157 -0.253 5.631 1.00 . A A . 7 PHE O 1 1 7 756 1 1 8 PHE OXT O -0.713 1.740 4.869 1.00 . A A . 7 PHE OXT 1 1 8 757 1 1 2 PHE C C -4.058 -2.250 0.647 1.00 . A A . 1 PHE C 1 1 8 758 1 1 2 PHE CA C -4.464 -3.699 0.883 1.00 . A A . 1 PHE CA 1 1 8 759 1 1 2 PHE CB C -3.685 -4.381 2.074 1.00 . A A . 1 PHE CB 1 1 8 760 1 1 2 PHE CD1 C -1.783 -5.415 0.731 1.00 . A A . 1 PHE CD1 1 1 8 761 1 1 2 PHE CD2 C -1.223 -4.048 2.586 1.00 . A A . 1 PHE CD2 1 1 8 762 1 1 2 PHE CE1 C -0.447 -5.633 0.480 1.00 . A A . 1 PHE CE1 1 1 8 763 1 1 2 PHE CE2 C 0.116 -4.260 2.342 1.00 . A A . 1 PHE CE2 1 1 8 764 1 1 2 PHE CG C -2.187 -4.624 1.784 1.00 . A A . 1 PHE CG 1 1 8 765 1 1 2 PHE CZ C 0.508 -5.054 1.287 1.00 . A A . 1 PHE CZ 1 1 8 766 1 1 2 PHE H H -3.275 -4.419 -0.702 1.00 . A A . 1 PHE H 1 1 8 767 1 1 2 PHE HA H -5.504 -3.750 1.070 1.00 . A A . 1 PHE HA 1 1 8 768 1 1 2 PHE HB2 H -3.772 -3.757 2.952 1.00 . A A . 1 PHE HB2 1 1 8 769 1 1 2 PHE HB3 H -4.144 -5.334 2.295 1.00 . A A . 1 PHE HB3 1 1 8 770 1 1 2 PHE HD1 H -2.526 -5.861 0.090 1.00 . A A . 1 PHE HD1 1 1 8 771 1 1 2 PHE HD2 H -1.525 -3.419 3.409 1.00 . A A . 1 PHE HD2 1 1 8 772 1 1 2 PHE HE1 H -0.155 -6.257 -0.351 1.00 . A A . 1 PHE HE1 1 1 8 773 1 1 2 PHE HE2 H 0.860 -3.801 2.978 1.00 . A A . 1 PHE HE2 1 1 8 774 1 1 2 PHE HZ H 1.559 -5.218 1.096 1.00 . A A . 1 PHE HZ 1 1 8 775 1 1 2 PHE N N -4.178 -4.464 -0.340 1.00 . A A . 1 PHE N 1 1 8 776 1 1 2 PHE O O -4.838 -1.475 0.130 1.00 . A A . 1 PHE O 1 1 8 777 1 1 3 THR C C -1.109 -0.512 -0.071 1.00 . A A . 2 THR C 1 1 8 778 1 1 3 THR CA C -2.301 -0.575 0.872 1.00 . A A . 2 THR CA 1 1 8 779 1 1 3 THR CB C -1.933 -0.103 2.267 1.00 . A A . 2 THR CB 1 1 8 780 1 1 3 THR CG2 C -3.153 -0.238 3.149 1.00 . A A . 2 THR CG2 1 1 8 781 1 1 3 THR H H -2.302 -2.603 1.449 1.00 . A A . 2 THR H 1 1 8 782 1 1 3 THR HA H -3.069 0.077 0.488 1.00 . A A . 2 THR HA 1 1 8 783 1 1 3 THR HB H -1.479 0.873 2.252 1.00 . A A . 2 THR HB 1 1 8 784 1 1 3 THR HG1 H -0.354 -0.594 3.279 1.00 . A A . 2 THR HG1 1 1 8 785 1 1 3 THR HG21 H -3.459 -1.279 3.136 1.00 . A A . 2 THR HG21 1 1 8 786 1 1 3 THR HG22 H -2.929 0.077 4.156 1.00 . A A . 2 THR HG22 1 1 8 787 1 1 3 THR HG23 H -3.935 0.381 2.738 1.00 . A A . 2 THR HG23 1 1 8 788 1 1 3 THR N N -2.857 -1.935 1.027 1.00 . A A . 2 THR N 1 1 8 789 1 1 3 THR O O -0.016 -0.143 0.314 1.00 . A A . 2 THR O 1 1 8 790 1 1 3 THR OG1 O -1.034 -1.072 2.789 1.00 . A A . 2 THR OG1 1 1 8 791 1 1 4 LEU C C -0.259 0.589 -2.920 1.00 . A A . 3 LEU C 1 1 8 792 1 1 4 LEU CA C -0.218 -0.827 -2.305 1.00 . A A . 3 LEU CA 1 1 8 793 1 1 4 LEU CB C -0.446 -1.898 -3.403 1.00 . A A . 3 LEU CB 1 1 8 794 1 1 4 LEU CD1 C 0.863 -3.620 -2.029 1.00 . A A . 3 LEU CD1 1 1 8 795 1 1 4 LEU CD2 C -1.657 -3.683 -2.003 1.00 . A A . 3 LEU CD2 1 1 8 796 1 1 4 LEU CG C -0.418 -3.366 -2.864 1.00 . A A . 3 LEU CG 1 1 8 797 1 1 4 LEU H H -2.236 -1.179 -1.552 1.00 . A A . 3 LEU H 1 1 8 798 1 1 4 LEU HA H 0.734 -0.962 -1.811 1.00 . A A . 3 LEU HA 1 1 8 799 1 1 4 LEU HB2 H -1.395 -1.710 -3.883 1.00 . A A . 3 LEU HB2 1 1 8 800 1 1 4 LEU HB3 H 0.326 -1.790 -4.152 1.00 . A A . 3 LEU HB3 1 1 8 801 1 1 4 LEU HD11 H 1.743 -3.431 -2.628 1.00 . A A . 3 LEU HD11 1 1 8 802 1 1 4 LEU HD12 H 0.891 -2.981 -1.157 1.00 . A A . 3 LEU HD12 1 1 8 803 1 1 4 LEU HD13 H 0.892 -4.646 -1.697 1.00 . A A . 3 LEU HD13 1 1 8 804 1 1 4 LEU HD21 H -2.561 -3.501 -2.566 1.00 . A A . 3 LEU HD21 1 1 8 805 1 1 4 LEU HD22 H -1.634 -4.724 -1.720 1.00 . A A . 3 LEU HD22 1 1 8 806 1 1 4 LEU HD23 H -1.682 -3.093 -1.098 1.00 . A A . 3 LEU HD23 1 1 8 807 1 1 4 LEU HG H -0.411 -4.036 -3.710 1.00 . A A . 3 LEU HG 1 1 8 808 1 1 4 LEU N N -1.338 -0.873 -1.305 1.00 . A A . 3 LEU N 1 1 8 809 1 1 4 LEU O O -0.106 0.809 -4.105 1.00 . A A . 3 LEU O 1 1 8 810 1 1 5 ASP C C 0.335 3.608 -1.145 1.00 . A A . 4 ASP C 1 1 8 811 1 1 5 ASP CA C -0.578 2.955 -2.183 1.00 . A A . 4 ASP CA 1 1 8 812 1 1 5 ASP CB C -2.067 3.357 -1.993 1.00 . A A . 4 ASP CB 1 1 8 813 1 1 5 ASP CG C -2.729 2.501 -0.894 1.00 . A A . 4 ASP CG 1 1 8 814 1 1 5 ASP H H -0.572 1.171 -1.087 1.00 . A A . 4 ASP H 1 1 8 815 1 1 5 ASP HA H -0.220 3.208 -3.159 1.00 . A A . 4 ASP HA 1 1 8 816 1 1 5 ASP HB2 H -2.136 4.396 -1.708 1.00 . A A . 4 ASP HB2 1 1 8 817 1 1 5 ASP HB3 H -2.601 3.222 -2.923 1.00 . A A . 4 ASP HB3 1 1 8 818 1 1 5 ASP N N -0.471 1.487 -2.000 1.00 . A A . 4 ASP N 1 1 8 819 1 1 5 ASP O O 1.063 4.536 -1.438 1.00 . A A . 4 ASP O 1 1 8 820 1 1 5 ASP OD1 O -2.413 2.706 0.265 1.00 . A A . 4 ASP OD1 1 1 8 821 1 1 5 ASP OD2 O -3.523 1.665 -1.287 1.00 . A A . 4 ASP OD2 1 1 8 822 1 1 6 ALA C C 2.221 2.618 1.442 1.00 . A A . 5 ALA C 1 1 8 823 1 1 6 ALA CA C 1.069 3.575 1.197 1.00 . A A . 5 ALA CA 1 1 8 824 1 1 6 ALA CB C 0.227 3.624 2.469 1.00 . A A . 5 ALA CB 1 1 8 825 1 1 6 ALA H H -0.374 2.337 0.181 1.00 . A A . 5 ALA H 1 1 8 826 1 1 6 ALA HA H 1.466 4.547 0.969 1.00 . A A . 5 ALA HA 1 1 8 827 1 1 6 ALA HB1 H -0.152 2.635 2.682 1.00 . A A . 5 ALA HB1 1 1 8 828 1 1 6 ALA HB2 H 0.843 3.919 3.308 1.00 . A A . 5 ALA HB2 1 1 8 829 1 1 6 ALA HB3 H -0.605 4.304 2.367 1.00 . A A . 5 ALA HB3 1 1 8 830 1 1 6 ALA N N 0.254 3.079 0.046 1.00 . A A . 5 ALA N 1 1 8 831 1 1 6 ALA O O 3.367 3.018 1.482 1.00 . A A . 5 ALA O 1 1 8 832 1 1 7 ASP C C 2.060 -0.436 3.135 1.00 . A A . 6 ASP C 1 1 8 833 1 1 7 ASP CA C 2.631 0.170 1.856 1.00 . A A . 6 ASP CA 1 1 8 834 1 1 7 ASP CB C 4.129 0.493 2.116 1.00 . A A . 6 ASP CB 1 1 8 835 1 1 7 ASP CG C 4.896 -0.801 2.435 1.00 . A A . 6 ASP CG 1 1 8 836 1 1 7 ASP H H 0.832 1.268 1.522 1.00 . A A . 6 ASP H 1 1 8 837 1 1 7 ASP HA H 2.501 -0.527 1.051 1.00 . A A . 6 ASP HA 1 1 8 838 1 1 7 ASP HB2 H 4.568 0.937 1.234 1.00 . A A . 6 ASP HB2 1 1 8 839 1 1 7 ASP HB3 H 4.225 1.181 2.943 1.00 . A A . 6 ASP HB3 1 1 8 840 1 1 7 ASP N N 1.800 1.392 1.591 1.00 . A A . 6 ASP N 1 1 8 841 1 1 7 ASP O O 2.052 -1.635 3.331 1.00 . A A . 6 ASP O 1 1 8 842 1 1 7 ASP OD1 O 4.967 -1.627 1.538 1.00 . A A . 6 ASP OD1 1 1 8 843 1 1 7 ASP OD2 O 5.363 -0.891 3.558 1.00 . A A . 6 ASP OD2 1 1 8 844 1 1 8 PHE C C -0.439 0.643 5.432 1.00 . A A . 7 PHE C 1 1 8 845 1 1 8 PHE CA C 0.993 0.116 5.270 1.00 . A A . 7 PHE CA 1 1 8 846 1 1 8 PHE CB C 1.890 0.684 6.381 1.00 . A A . 7 PHE CB 1 1 8 847 1 1 8 PHE CD1 C 2.329 2.961 5.320 1.00 . A A . 7 PHE CD1 1 1 8 848 1 1 8 PHE CD2 C 1.360 2.881 7.490 1.00 . A A . 7 PHE CD2 1 1 8 849 1 1 8 PHE CE1 C 2.300 4.340 5.356 1.00 . A A . 7 PHE CE1 1 1 8 850 1 1 8 PHE CE2 C 1.328 4.259 7.531 1.00 . A A . 7 PHE CE2 1 1 8 851 1 1 8 PHE CG C 1.861 2.222 6.389 1.00 . A A . 7 PHE CG 1 1 8 852 1 1 8 PHE CZ C 1.798 4.991 6.462 1.00 . A A . 7 PHE CZ 1 1 8 853 1 1 8 PHE H H 1.637 1.396 3.686 1.00 . A A . 7 PHE H 1 1 8 854 1 1 8 PHE HA H 0.978 -0.942 5.351 1.00 . A A . 7 PHE HA 1 1 8 855 1 1 8 PHE HB2 H 1.549 0.315 7.337 1.00 . A A . 7 PHE HB2 1 1 8 856 1 1 8 PHE HB3 H 2.908 0.358 6.227 1.00 . A A . 7 PHE HB3 1 1 8 857 1 1 8 PHE HD1 H 2.713 2.452 4.448 1.00 . A A . 7 PHE HD1 1 1 8 858 1 1 8 PHE HD2 H 0.988 2.300 8.320 1.00 . A A . 7 PHE HD2 1 1 8 859 1 1 8 PHE HE1 H 2.671 4.908 4.515 1.00 . A A . 7 PHE HE1 1 1 8 860 1 1 8 PHE HE2 H 0.932 4.763 8.400 1.00 . A A . 7 PHE HE2 1 1 8 861 1 1 8 PHE HZ H 1.774 6.071 6.491 1.00 . A A . 7 PHE HZ 1 1 8 862 1 1 8 PHE N N 1.593 0.463 3.958 1.00 . A A . 7 PHE N 1 1 8 863 1 1 8 PHE O O -0.810 1.476 4.626 1.00 . A A . 7 PHE O 1 1 8 864 1 1 8 PHE OXT O -1.082 0.186 6.361 1.00 . A A . 7 PHE OXT 1 1 9 865 1 1 2 PHE C C -4.054 -2.317 0.663 1.00 . A A . 1 PHE C 1 1 9 866 1 1 2 PHE CA C -4.440 -3.769 0.910 1.00 . A A . 1 PHE CA 1 1 9 867 1 1 2 PHE CB C -3.640 -4.441 2.093 1.00 . A A . 1 PHE CB 1 1 9 868 1 1 2 PHE CD1 C -1.717 -5.401 0.725 1.00 . A A . 1 PHE CD1 1 1 9 869 1 1 2 PHE CD2 C -1.189 -4.060 2.607 1.00 . A A . 1 PHE CD2 1 1 9 870 1 1 2 PHE CE1 C -0.377 -5.579 0.466 1.00 . A A . 1 PHE CE1 1 1 9 871 1 1 2 PHE CE2 C 0.155 -4.232 2.355 1.00 . A A . 1 PHE CE2 1 1 9 872 1 1 2 PHE CG C -2.138 -4.643 1.795 1.00 . A A . 1 PHE CG 1 1 9 873 1 1 2 PHE CZ C 0.565 -4.993 1.282 1.00 . A A . 1 PHE CZ 1 1 9 874 1 1 2 PHE H H -3.257 -4.446 -0.695 1.00 . A A . 1 PHE H 1 1 9 875 1 1 2 PHE HA H -5.478 -3.830 1.105 1.00 . A A . 1 PHE HA 1 1 9 876 1 1 2 PHE HB2 H -3.740 -3.826 2.977 1.00 . A A . 1 PHE HB2 1 1 9 877 1 1 2 PHE HB3 H -4.075 -5.406 2.310 1.00 . A A . 1 PHE HB3 1 1 9 878 1 1 2 PHE HD1 H -2.449 -5.853 0.077 1.00 . A A . 1 PHE HD1 1 1 9 879 1 1 2 PHE HD2 H -1.504 -3.456 3.444 1.00 . A A . 1 PHE HD2 1 1 9 880 1 1 2 PHE HE1 H -0.073 -6.178 -0.381 1.00 . A A . 1 PHE HE1 1 1 9 881 1 1 2 PHE HE2 H 0.886 -3.767 3.001 1.00 . A A . 1 PHE HE2 1 1 9 882 1 1 2 PHE HZ H 1.619 -5.126 1.086 1.00 . A A . 1 PHE HZ 1 1 9 883 1 1 2 PHE N N -4.153 -4.526 -0.316 1.00 . A A . 1 PHE N 1 1 9 884 1 1 2 PHE O O -4.839 -1.560 0.127 1.00 . A A . 1 PHE O 1 1 9 885 1 1 3 THR C C -1.146 -0.517 -0.064 1.00 . A A . 2 THR C 1 1 9 886 1 1 3 THR CA C -2.332 -0.608 0.885 1.00 . A A . 2 THR CA 1 1 9 887 1 1 3 THR CB C -1.963 -0.118 2.271 1.00 . A A . 2 THR CB 1 1 9 888 1 1 3 THR CG2 C -3.178 -0.247 3.150 1.00 . A A . 2 THR CG2 1 1 9 889 1 1 3 THR H H -2.298 -2.627 1.488 1.00 . A A . 2 THR H 1 1 9 890 1 1 3 THR HA H -3.119 0.019 0.494 1.00 . A A . 2 THR HA 1 1 9 891 1 1 3 THR HB H -1.511 0.858 2.245 1.00 . A A . 2 THR HB 1 1 9 892 1 1 3 THR HG1 H -0.374 -0.595 3.275 1.00 . A A . 2 THR HG1 1 1 9 893 1 1 3 THR HG21 H -3.481 -1.289 3.144 1.00 . A A . 2 THR HG21 1 1 9 894 1 1 3 THR HG22 H -2.953 0.080 4.151 1.00 . A A . 2 THR HG22 1 1 9 895 1 1 3 THR HG23 H -3.958 0.371 2.728 1.00 . A A . 2 THR HG23 1 1 9 896 1 1 3 THR N N -2.863 -1.976 1.051 1.00 . A A . 2 THR N 1 1 9 897 1 1 3 THR O O -0.054 -0.143 0.318 1.00 . A A . 2 THR O 1 1 9 898 1 1 3 THR OG1 O -1.061 -1.079 2.803 1.00 . A A . 2 THR OG1 1 1 9 899 1 1 4 LEU C C -0.265 0.639 -2.876 1.00 . A A . 3 LEU C 1 1 9 900 1 1 4 LEU CA C -0.274 -0.793 -2.299 1.00 . A A . 3 LEU CA 1 1 9 901 1 1 4 LEU CB C -0.524 -1.832 -3.424 1.00 . A A . 3 LEU CB 1 1 9 902 1 1 4 LEU CD1 C 0.844 -3.595 -2.171 1.00 . A A . 3 LEU CD1 1 1 9 903 1 1 4 LEU CD2 C -1.666 -3.648 -2.002 1.00 . A A . 3 LEU CD2 1 1 9 904 1 1 4 LEU CG C -0.479 -3.314 -2.927 1.00 . A A . 3 LEU CG 1 1 9 905 1 1 4 LEU H H -2.280 -1.178 -1.542 1.00 . A A . 3 LEU H 1 1 9 906 1 1 4 LEU HA H 0.675 -0.967 -1.813 1.00 . A A . 3 LEU HA 1 1 9 907 1 1 4 LEU HB2 H -1.484 -1.633 -3.880 1.00 . A A . 3 LEU HB2 1 1 9 908 1 1 4 LEU HB3 H 0.232 -1.699 -4.186 1.00 . A A . 3 LEU HB3 1 1 9 909 1 1 4 LEU HD11 H 1.691 -3.395 -2.811 1.00 . A A . 3 LEU HD11 1 1 9 910 1 1 4 LEU HD12 H 0.922 -2.976 -1.287 1.00 . A A . 3 LEU HD12 1 1 9 911 1 1 4 LEU HD13 H 0.885 -4.629 -1.864 1.00 . A A . 3 LEU HD13 1 1 9 912 1 1 4 LEU HD21 H -2.601 -3.446 -2.504 1.00 . A A . 3 LEU HD21 1 1 9 913 1 1 4 LEU HD22 H -1.630 -4.697 -1.750 1.00 . A A . 3 LEU HD22 1 1 9 914 1 1 4 LEU HD23 H -1.630 -3.083 -1.081 1.00 . A A . 3 LEU HD23 1 1 9 915 1 1 4 LEU HG H -0.522 -3.963 -3.790 1.00 . A A . 3 LEU HG 1 1 9 916 1 1 4 LEU N N -1.385 -0.864 -1.298 1.00 . A A . 3 LEU N 1 1 9 917 1 1 4 LEU O O -0.069 0.871 -4.053 1.00 . A A . 3 LEU O 1 1 9 918 1 1 5 ASP C C 0.409 3.626 -1.159 1.00 . A A . 4 ASP C 1 1 9 919 1 1 5 ASP CA C -0.539 3.011 -2.191 1.00 . A A . 4 ASP CA 1 1 9 920 1 1 5 ASP CB C -1.988 3.539 -1.983 1.00 . A A . 4 ASP CB 1 1 9 921 1 1 5 ASP CG C -2.437 3.378 -0.521 1.00 . A A . 4 ASP CG 1 1 9 922 1 1 5 ASP H H -0.639 1.240 -1.048 1.00 . A A . 4 ASP H 1 1 9 923 1 1 5 ASP HA H -0.167 3.225 -3.169 1.00 . A A . 4 ASP HA 1 1 9 924 1 1 5 ASP HB2 H -2.029 4.584 -2.255 1.00 . A A . 4 ASP HB2 1 1 9 925 1 1 5 ASP HB3 H -2.672 2.994 -2.616 1.00 . A A . 4 ASP HB3 1 1 9 926 1 1 5 ASP N N -0.490 1.543 -1.960 1.00 . A A . 4 ASP N 1 1 9 927 1 1 5 ASP O O 1.209 4.488 -1.466 1.00 . A A . 4 ASP O 1 1 9 928 1 1 5 ASP OD1 O -2.497 2.237 -0.098 1.00 . A A . 4 ASP OD1 1 1 9 929 1 1 5 ASP OD2 O -2.690 4.399 0.093 1.00 . A A . 4 ASP OD2 1 1 9 930 1 1 6 ALA C C 2.232 2.617 1.431 1.00 . A A . 5 ALA C 1 1 9 931 1 1 6 ALA CA C 1.102 3.602 1.193 1.00 . A A . 5 ALA CA 1 1 9 932 1 1 6 ALA CB C 0.264 3.669 2.466 1.00 . A A . 5 ALA CB 1 1 9 933 1 1 6 ALA H H -0.414 2.444 0.191 1.00 . A A . 5 ALA H 1 1 9 934 1 1 6 ALA HA H 1.521 4.566 0.968 1.00 . A A . 5 ALA HA 1 1 9 935 1 1 6 ALA HB1 H -0.143 2.690 2.673 1.00 . A A . 5 ALA HB1 1 1 9 936 1 1 6 ALA HB2 H 0.887 3.943 3.306 1.00 . A A . 5 ALA HB2 1 1 9 937 1 1 6 ALA HB3 H -0.549 4.373 2.365 1.00 . A A . 5 ALA HB3 1 1 9 938 1 1 6 ALA N N 0.269 3.136 0.046 1.00 . A A . 5 ALA N 1 1 9 939 1 1 6 ALA O O 3.386 2.992 1.481 1.00 . A A . 5 ALA O 1 1 9 940 1 1 7 ASP C C 2.022 -0.435 3.102 1.00 . A A . 6 ASP C 1 1 9 941 1 1 7 ASP CA C 2.590 0.157 1.817 1.00 . A A . 6 ASP CA 1 1 9 942 1 1 7 ASP CB C 4.097 0.442 2.056 1.00 . A A . 6 ASP CB 1 1 9 943 1 1 7 ASP CG C 4.835 -0.874 2.351 1.00 . A A . 6 ASP CG 1 1 9 944 1 1 7 ASP H H 0.815 1.298 1.488 1.00 . A A . 6 ASP H 1 1 9 945 1 1 7 ASP HA H 2.431 -0.536 1.014 1.00 . A A . 6 ASP HA 1 1 9 946 1 1 7 ASP HB2 H 4.533 0.884 1.173 1.00 . A A . 6 ASP HB2 1 1 9 947 1 1 7 ASP HB3 H 4.222 1.120 2.888 1.00 . A A . 6 ASP HB3 1 1 9 948 1 1 7 ASP N N 1.785 1.399 1.563 1.00 . A A . 6 ASP N 1 1 9 949 1 1 7 ASP O O 2.002 -1.633 3.305 1.00 . A A . 6 ASP O 1 1 9 950 1 1 7 ASP OD1 O 4.866 -1.694 1.448 1.00 . A A . 6 ASP OD1 1 1 9 951 1 1 7 ASP OD2 O 5.324 -0.984 3.465 1.00 . A A . 6 ASP OD2 1 1 9 952 1 1 8 PHE C C -0.444 0.688 5.420 1.00 . A A . 7 PHE C 1 1 9 953 1 1 8 PHE CA C 0.976 0.134 5.245 1.00 . A A . 7 PHE CA 1 1 9 954 1 1 8 PHE CB C 1.895 0.682 6.348 1.00 . A A . 7 PHE CB 1 1 9 955 1 1 8 PHE CD1 C 2.381 2.948 5.283 1.00 . A A . 7 PHE CD1 1 1 9 956 1 1 8 PHE CD2 C 1.434 2.891 7.465 1.00 . A A . 7 PHE CD2 1 1 9 957 1 1 8 PHE CE1 C 2.388 4.327 5.320 1.00 . A A . 7 PHE CE1 1 1 9 958 1 1 8 PHE CE2 C 1.438 4.269 7.506 1.00 . A A . 7 PHE CE2 1 1 9 959 1 1 8 PHE CG C 1.905 2.220 6.357 1.00 . A A . 7 PHE CG 1 1 9 960 1 1 8 PHE CZ C 1.917 4.989 6.433 1.00 . A A . 7 PHE CZ 1 1 9 961 1 1 8 PHE H H 1.620 1.404 3.652 1.00 . A A . 7 PHE H 1 1 9 962 1 1 8 PHE HA H 0.940 -0.923 5.323 1.00 . A A . 7 PHE HA 1 1 9 963 1 1 8 PHE HB2 H 1.554 0.322 7.307 1.00 . A A . 7 PHE HB2 1 1 9 964 1 1 8 PHE HB3 H 2.904 0.330 6.186 1.00 . A A . 7 PHE HB3 1 1 9 965 1 1 8 PHE HD1 H 2.742 2.429 4.408 1.00 . A A . 7 PHE HD1 1 1 9 966 1 1 8 PHE HD2 H 1.058 2.319 8.299 1.00 . A A . 7 PHE HD2 1 1 9 967 1 1 8 PHE HE1 H 2.764 4.885 4.476 1.00 . A A . 7 PHE HE1 1 1 9 968 1 1 8 PHE HE2 H 1.066 4.782 8.381 1.00 . A A . 7 PHE HE2 1 1 9 969 1 1 8 PHE HZ H 1.921 6.069 6.463 1.00 . A A . 7 PHE HZ 1 1 9 970 1 1 8 PHE N N 1.570 0.472 3.926 1.00 . A A . 7 PHE N 1 1 9 971 1 1 8 PHE O O -0.819 1.505 4.600 1.00 . A A . 7 PHE O 1 1 9 972 1 1 8 PHE OXT O -1.078 0.266 6.372 1.00 . A A . 7 PHE OXT 1 1 10 973 1 1 2 PHE C C -4.045 -2.372 0.528 1.00 . A A . 1 PHE C 1 1 10 974 1 1 2 PHE CA C -4.383 -3.842 0.750 1.00 . A A . 1 PHE CA 1 1 10 975 1 1 2 PHE CB C -3.543 -4.515 1.905 1.00 . A A . 1 PHE CB 1 1 10 976 1 1 2 PHE CD1 C -1.626 -5.415 0.488 1.00 . A A . 1 PHE CD1 1 1 10 977 1 1 2 PHE CD2 C -1.088 -4.064 2.361 1.00 . A A . 1 PHE CD2 1 1 10 978 1 1 2 PHE CE1 C -0.287 -5.553 0.196 1.00 . A A . 1 PHE CE1 1 1 10 979 1 1 2 PHE CE2 C 0.253 -4.195 2.076 1.00 . A A . 1 PHE CE2 1 1 10 980 1 1 2 PHE CG C -2.042 -4.673 1.571 1.00 . A A . 1 PHE CG 1 1 10 981 1 1 2 PHE CZ C 0.657 -4.942 0.992 1.00 . A A . 1 PHE CZ 1 1 10 982 1 1 2 PHE H H -3.211 -4.468 -0.885 1.00 . A A . 1 PHE H 1 1 10 983 1 1 2 PHE HA H -5.415 -3.942 0.962 1.00 . A A . 1 PHE HA 1 1 10 984 1 1 2 PHE HB2 H -3.640 -3.919 2.801 1.00 . A A . 1 PHE HB2 1 1 10 985 1 1 2 PHE HB3 H -3.947 -5.495 2.111 1.00 . A A . 1 PHE HB3 1 1 10 986 1 1 2 PHE HD1 H -2.362 -5.884 -0.144 1.00 . A A . 1 PHE HD1 1 1 10 987 1 1 2 PHE HD2 H -1.401 -3.472 3.207 1.00 . A A . 1 PHE HD2 1 1 10 988 1 1 2 PHE HE1 H 0.015 -6.141 -0.658 1.00 . A A . 1 PHE HE1 1 1 10 989 1 1 2 PHE HE2 H 0.986 -3.711 2.705 1.00 . A A . 1 PHE HE2 1 1 10 990 1 1 2 PHE HZ H 1.711 -5.044 0.770 1.00 . A A . 1 PHE HZ 1 1 10 991 1 1 2 PHE N N -4.099 -4.570 -0.495 1.00 . A A . 1 PHE N 1 1 10 992 1 1 2 PHE O O -4.862 -1.625 0.028 1.00 . A A . 1 PHE O 1 1 10 993 1 1 3 THR C C -1.176 -0.510 -0.193 1.00 . A A . 2 THR C 1 1 10 994 1 1 3 THR CA C -2.352 -0.628 0.764 1.00 . A A . 2 THR CA 1 1 10 995 1 1 3 THR CB C -1.981 -0.164 2.160 1.00 . A A . 2 THR CB 1 1 10 996 1 1 3 THR CG2 C -3.189 -0.350 3.046 1.00 . A A . 2 THR CG2 1 1 10 997 1 1 3 THR H H -2.267 -2.660 1.308 1.00 . A A . 2 THR H 1 1 10 998 1 1 3 THR HA H -3.149 0.000 0.396 1.00 . A A . 2 THR HA 1 1 10 999 1 1 3 THR HB H -1.551 0.822 2.156 1.00 . A A . 2 THR HB 1 1 10 1000 1 1 3 THR HG1 H -0.386 -0.628 3.163 1.00 . A A . 2 THR HG1 1 1 10 1001 1 1 3 THR HG21 H -3.458 -1.401 3.020 1.00 . A A . 2 THR HG21 1 1 10 1002 1 1 3 THR HG22 H -2.969 -0.040 4.055 1.00 . A A . 2 THR HG22 1 1 10 1003 1 1 3 THR HG23 H -3.993 0.248 2.647 1.00 . A A . 2 THR HG23 1 1 10 1004 1 1 3 THR N N -2.855 -2.010 0.901 1.00 . A A . 2 THR N 1 1 10 1005 1 1 3 THR O O -0.083 -0.141 0.190 1.00 . A A . 2 THR O 1 1 10 1006 1 1 3 THR OG1 O -1.053 -1.115 2.664 1.00 . A A . 2 THR OG1 1 1 10 1007 1 1 4 LEU C C -0.373 0.713 -2.999 1.00 . A A . 3 LEU C 1 1 10 1008 1 1 4 LEU CA C -0.326 -0.731 -2.455 1.00 . A A . 3 LEU CA 1 1 10 1009 1 1 4 LEU CB C -0.579 -1.750 -3.595 1.00 . A A . 3 LEU CB 1 1 10 1010 1 1 4 LEU CD1 C 0.839 -3.519 -2.410 1.00 . A A . 3 LEU CD1 1 1 10 1011 1 1 4 LEU CD2 C -1.664 -3.605 -2.182 1.00 . A A . 3 LEU CD2 1 1 10 1012 1 1 4 LEU CG C -0.504 -3.240 -3.128 1.00 . A A . 3 LEU CG 1 1 10 1013 1 1 4 LEU H H -2.321 -1.139 -1.674 1.00 . A A . 3 LEU H 1 1 10 1014 1 1 4 LEU HA H 0.635 -0.890 -1.987 1.00 . A A . 3 LEU HA 1 1 10 1015 1 1 4 LEU HB2 H -1.550 -1.556 -4.028 1.00 . A A . 3 LEU HB2 1 1 10 1016 1 1 4 LEU HB3 H 0.160 -1.590 -4.369 1.00 . A A . 3 LEU HB3 1 1 10 1017 1 1 4 LEU HD11 H 1.669 -3.297 -3.066 1.00 . A A . 3 LEU HD11 1 1 10 1018 1 1 4 LEU HD12 H 0.933 -2.918 -1.515 1.00 . A A . 3 LEU HD12 1 1 10 1019 1 1 4 LEU HD13 H 0.899 -4.558 -2.125 1.00 . A A . 3 LEU HD13 1 1 10 1020 1 1 4 LEU HD21 H -2.613 -3.403 -2.657 1.00 . A A . 3 LEU HD21 1 1 10 1021 1 1 4 LEU HD22 H -1.611 -4.658 -1.954 1.00 . A A . 3 LEU HD22 1 1 10 1022 1 1 4 LEU HD23 H -1.612 -3.058 -1.250 1.00 . A A . 3 LEU HD23 1 1 10 1023 1 1 4 LEU HG H -0.562 -3.873 -4.003 1.00 . A A . 3 LEU HG 1 1 10 1024 1 1 4 LEU N N -1.423 -0.828 -1.435 1.00 . A A . 3 LEU N 1 1 10 1025 1 1 4 LEU O O -0.264 0.989 -4.178 1.00 . A A . 3 LEU O 1 1 10 1026 1 1 5 ASP C C 0.339 3.612 -1.106 1.00 . A A . 4 ASP C 1 1 10 1027 1 1 5 ASP CA C -0.634 3.041 -2.135 1.00 . A A . 4 ASP CA 1 1 10 1028 1 1 5 ASP CB C -2.105 3.459 -1.853 1.00 . A A . 4 ASP CB 1 1 10 1029 1 1 5 ASP CG C -2.745 2.553 -0.783 1.00 . A A . 4 ASP CG 1 1 10 1030 1 1 5 ASP H H -0.610 1.209 -1.129 1.00 . A A . 4 ASP H 1 1 10 1031 1 1 5 ASP HA H -0.314 3.339 -3.110 1.00 . A A . 4 ASP HA 1 1 10 1032 1 1 5 ASP HB2 H -2.137 4.480 -1.503 1.00 . A A . 4 ASP HB2 1 1 10 1033 1 1 5 ASP HB3 H -2.679 3.396 -2.767 1.00 . A A . 4 ASP HB3 1 1 10 1034 1 1 5 ASP N N -0.539 1.567 -2.029 1.00 . A A . 4 ASP N 1 1 10 1035 1 1 5 ASP O O 1.085 4.529 -1.389 1.00 . A A . 4 ASP O 1 1 10 1036 1 1 5 ASP OD1 O -2.372 2.673 0.371 1.00 . A A . 4 ASP OD1 1 1 10 1037 1 1 5 ASP OD2 O -3.583 1.769 -1.193 1.00 . A A . 4 ASP OD2 1 1 10 1038 1 1 6 ALA C C 2.237 2.406 1.435 1.00 . A A . 5 ALA C 1 1 10 1039 1 1 6 ALA CA C 1.174 3.462 1.191 1.00 . A A . 5 ALA CA 1 1 10 1040 1 1 6 ALA CB C 0.368 3.627 2.488 1.00 . A A . 5 ALA CB 1 1 10 1041 1 1 6 ALA H H -0.357 2.307 0.197 1.00 . A A . 5 ALA H 1 1 10 1042 1 1 6 ALA HA H 1.660 4.386 0.939 1.00 . A A . 5 ALA HA 1 1 10 1043 1 1 6 ALA HB1 H -0.112 2.698 2.761 1.00 . A A . 5 ALA HB1 1 1 10 1044 1 1 6 ALA HB2 H 1.043 3.893 3.291 1.00 . A A . 5 ALA HB2 1 1 10 1045 1 1 6 ALA HB3 H -0.386 4.391 2.380 1.00 . A A . 5 ALA HB3 1 1 10 1046 1 1 6 ALA N N 0.289 3.034 0.066 1.00 . A A . 5 ALA N 1 1 10 1047 1 1 6 ALA O O 3.415 2.699 1.412 1.00 . A A . 5 ALA O 1 1 10 1048 1 1 7 ASP C C 2.000 -0.442 3.355 1.00 . A A . 6 ASP C 1 1 10 1049 1 1 7 ASP CA C 2.452 -0.051 1.950 1.00 . A A . 6 ASP CA 1 1 10 1050 1 1 7 ASP CB C 3.995 0.119 1.979 1.00 . A A . 6 ASP CB 1 1 10 1051 1 1 7 ASP CG C 4.657 -1.232 2.298 1.00 . A A . 6 ASP CG 1 1 10 1052 1 1 7 ASP H H 0.741 1.191 1.634 1.00 . A A . 6 ASP H 1 1 10 1053 1 1 7 ASP HA H 2.139 -0.807 1.255 1.00 . A A . 6 ASP HA 1 1 10 1054 1 1 7 ASP HB2 H 4.345 0.455 1.015 1.00 . A A . 6 ASP HB2 1 1 10 1055 1 1 7 ASP HB3 H 4.276 0.842 2.731 1.00 . A A . 6 ASP HB3 1 1 10 1056 1 1 7 ASP N N 1.716 1.230 1.660 1.00 . A A . 6 ASP N 1 1 10 1057 1 1 7 ASP O O 1.872 -1.600 3.700 1.00 . A A . 6 ASP O 1 1 10 1058 1 1 7 ASP OD1 O 4.510 -2.119 1.472 1.00 . A A . 6 ASP OD1 1 1 10 1059 1 1 7 ASP OD2 O 5.272 -1.299 3.350 1.00 . A A . 6 ASP OD2 1 1 10 1060 1 1 8 PHE C C -0.050 1.201 5.662 1.00 . A A . 7 PHE C 1 1 10 1061 1 1 8 PHE CA C 1.322 0.505 5.517 1.00 . A A . 7 PHE CA 1 1 10 1062 1 1 8 PHE CB C 2.419 1.163 6.406 1.00 . A A . 7 PHE CB 1 1 10 1063 1 1 8 PHE CD1 C 2.898 3.193 4.944 1.00 . A A . 7 PHE CD1 1 1 10 1064 1 1 8 PHE CD2 C 2.257 3.549 7.202 1.00 . A A . 7 PHE CD2 1 1 10 1065 1 1 8 PHE CE1 C 2.996 4.554 4.751 1.00 . A A . 7 PHE CE1 1 1 10 1066 1 1 8 PHE CE2 C 2.353 4.913 7.018 1.00 . A A . 7 PHE CE2 1 1 10 1067 1 1 8 PHE CG C 2.530 2.679 6.168 1.00 . A A . 7 PHE CG 1 1 10 1068 1 1 8 PHE CZ C 2.722 5.418 5.790 1.00 . A A . 7 PHE CZ 1 1 10 1069 1 1 8 PHE H H 1.892 1.477 3.709 1.00 . A A . 7 PHE H 1 1 10 1070 1 1 8 PHE HA H 1.230 -0.519 5.778 1.00 . A A . 7 PHE HA 1 1 10 1071 1 1 8 PHE HB2 H 2.184 0.982 7.444 1.00 . A A . 7 PHE HB2 1 1 10 1072 1 1 8 PHE HB3 H 3.376 0.709 6.189 1.00 . A A . 7 PHE HB3 1 1 10 1073 1 1 8 PHE HD1 H 3.106 2.518 4.130 1.00 . A A . 7 PHE HD1 1 1 10 1074 1 1 8 PHE HD2 H 1.962 3.145 8.158 1.00 . A A . 7 PHE HD2 1 1 10 1075 1 1 8 PHE HE1 H 3.283 4.938 3.783 1.00 . A A . 7 PHE HE1 1 1 10 1076 1 1 8 PHE HE2 H 2.135 5.583 7.836 1.00 . A A . 7 PHE HE2 1 1 10 1077 1 1 8 PHE HZ H 2.798 6.485 5.642 1.00 . A A . 7 PHE HZ 1 1 10 1078 1 1 8 PHE N N 1.770 0.599 4.107 1.00 . A A . 7 PHE N 1 1 10 1079 1 1 8 PHE O O -0.294 1.829 6.680 1.00 . A A . 7 PHE O 1 1 10 1080 1 1 8 PHE OXT O -0.802 1.052 4.714 1.00 . A A . 7 PHE OXT 1 1 11 1081 1 1 2 PHE C C -3.960 -2.166 0.630 1.00 . A A . 1 PHE C 1 1 11 1082 1 1 2 PHE CA C -4.559 -3.568 0.615 1.00 . A A . 1 PHE CA 1 1 11 1083 1 1 2 PHE CB C -3.880 -4.531 1.662 1.00 . A A . 1 PHE CB 1 1 11 1084 1 1 2 PHE CD1 C -2.193 -5.643 0.110 1.00 . A A . 1 PHE CD1 1 1 11 1085 1 1 2 PHE CD2 C -1.392 -4.665 2.118 1.00 . A A . 1 PHE CD2 1 1 11 1086 1 1 2 PHE CE1 C -0.914 -6.026 -0.222 1.00 . A A . 1 PHE CE1 1 1 11 1087 1 1 2 PHE CE2 C -0.106 -5.045 1.792 1.00 . A A . 1 PHE CE2 1 1 11 1088 1 1 2 PHE CG C -2.447 -4.961 1.281 1.00 . A A . 1 PHE CG 1 1 11 1089 1 1 2 PHE CZ C 0.135 -5.726 0.620 1.00 . A A . 1 PHE CZ 1 1 11 1090 1 1 2 PHE H H -3.538 -4.219 -1.129 1.00 . A A . 1 PHE H 1 1 11 1091 1 1 2 PHE HA H -5.587 -3.500 0.845 1.00 . A A . 1 PHE HA 1 1 11 1092 1 1 2 PHE HB2 H -3.852 -4.039 2.624 1.00 . A A . 1 PHE HB2 1 1 11 1093 1 1 2 PHE HB3 H -4.483 -5.422 1.762 1.00 . A A . 1 PHE HB3 1 1 11 1094 1 1 2 PHE HD1 H -3.007 -5.873 -0.561 1.00 . A A . 1 PHE HD1 1 1 11 1095 1 1 2 PHE HD2 H -1.575 -4.127 3.035 1.00 . A A . 1 PHE HD2 1 1 11 1096 1 1 2 PHE HE1 H -0.739 -6.559 -1.145 1.00 . A A . 1 PHE HE1 1 1 11 1097 1 1 2 PHE HE2 H 0.711 -4.805 2.457 1.00 . A A . 1 PHE HE2 1 1 11 1098 1 1 2 PHE HZ H 1.141 -6.024 0.364 1.00 . A A . 1 PHE HZ 1 1 11 1099 1 1 2 PHE N N -4.422 -4.183 -0.719 1.00 . A A . 1 PHE N 1 1 11 1100 1 1 2 PHE O O -4.666 -1.197 0.437 1.00 . A A . 1 PHE O 1 1 11 1101 1 1 3 THR C C -0.869 -0.705 -0.169 1.00 . A A . 2 THR C 1 1 11 1102 1 1 3 THR CA C -1.944 -0.820 0.905 1.00 . A A . 2 THR CA 1 1 11 1103 1 1 3 THR CB C -1.352 -0.720 2.311 1.00 . A A . 2 THR CB 1 1 11 1104 1 1 3 THR CG2 C -2.483 -0.899 3.305 1.00 . A A . 2 THR CG2 1 1 11 1105 1 1 3 THR H H -2.198 -2.924 1.025 1.00 . A A . 2 THR H 1 1 11 1106 1 1 3 THR HA H -2.637 -0.003 0.760 1.00 . A A . 2 THR HA 1 1 11 1107 1 1 3 THR HB H -0.739 0.158 2.464 1.00 . A A . 2 THR HB 1 1 11 1108 1 1 3 THR HG1 H 0.310 -1.674 2.698 1.00 . A A . 2 THR HG1 1 1 11 1109 1 1 3 THR HG21 H -2.948 -1.861 3.118 1.00 . A A . 2 THR HG21 1 1 11 1110 1 1 3 THR HG22 H -2.113 -0.852 4.318 1.00 . A A . 2 THR HG22 1 1 11 1111 1 1 3 THR HG23 H -3.202 -0.109 3.147 1.00 . A A . 2 THR HG23 1 1 11 1112 1 1 3 THR N N -2.685 -2.105 0.858 1.00 . A A . 2 THR N 1 1 11 1113 1 1 3 THR O O 0.274 -0.406 0.125 1.00 . A A . 2 THR O 1 1 11 1114 1 1 3 THR OG1 O -0.590 -1.912 2.459 1.00 . A A . 2 THR OG1 1 1 11 1115 1 1 4 LEU C C -0.415 0.632 -2.996 1.00 . A A . 3 LEU C 1 1 11 1116 1 1 4 LEU CA C -0.238 -0.821 -2.508 1.00 . A A . 3 LEU CA 1 1 11 1117 1 1 4 LEU CB C -0.568 -1.806 -3.663 1.00 . A A . 3 LEU CB 1 1 11 1118 1 1 4 LEU CD1 C 0.669 -3.689 -2.435 1.00 . A A . 3 LEU CD1 1 1 11 1119 1 1 4 LEU CD2 C -1.864 -3.657 -2.450 1.00 . A A . 3 LEU CD2 1 1 11 1120 1 1 4 LEU CG C -0.593 -3.312 -3.248 1.00 . A A . 3 LEU CG 1 1 11 1121 1 1 4 LEU H H -2.180 -1.176 -1.583 1.00 . A A . 3 LEU H 1 1 11 1122 1 1 4 LEU HA H 0.767 -0.955 -2.134 1.00 . A A . 3 LEU HA 1 1 11 1123 1 1 4 LEU HB2 H -1.528 -1.536 -4.082 1.00 . A A . 3 LEU HB2 1 1 11 1124 1 1 4 LEU HB3 H 0.170 -1.674 -4.441 1.00 . A A . 3 LEU HB3 1 1 11 1125 1 1 4 LEU HD11 H 1.558 -3.497 -3.018 1.00 . A A . 3 LEU HD11 1 1 11 1126 1 1 4 LEU HD12 H 0.724 -3.119 -1.518 1.00 . A A . 3 LEU HD12 1 1 11 1127 1 1 4 LEU HD13 H 0.648 -4.739 -2.181 1.00 . A A . 3 LEU HD13 1 1 11 1128 1 1 4 LEU HD21 H -2.741 -3.401 -3.027 1.00 . A A . 3 LEU HD21 1 1 11 1129 1 1 4 LEU HD22 H -1.891 -4.717 -2.245 1.00 . A A . 3 LEU HD22 1 1 11 1130 1 1 4 LEU HD23 H -1.898 -3.131 -1.509 1.00 . A A . 3 LEU HD23 1 1 11 1131 1 1 4 LEU HG H -0.596 -3.905 -4.152 1.00 . A A . 3 LEU HG 1 1 11 1132 1 1 4 LEU N N -1.247 -0.932 -1.399 1.00 . A A . 3 LEU N 1 1 11 1133 1 1 4 LEU O O -0.381 0.943 -4.170 1.00 . A A . 3 LEU O 1 1 11 1134 1 1 5 ASP C C 0.194 3.549 -1.143 1.00 . A A . 4 ASP C 1 1 11 1135 1 1 5 ASP CA C -0.805 2.916 -2.104 1.00 . A A . 4 ASP CA 1 1 11 1136 1 1 5 ASP CB C -2.247 3.236 -1.674 1.00 . A A . 4 ASP CB 1 1 11 1137 1 1 5 ASP CG C -3.190 2.184 -2.278 1.00 . A A . 4 ASP CG 1 1 11 1138 1 1 5 ASP H H -0.589 1.085 -1.098 1.00 . A A . 4 ASP H 1 1 11 1139 1 1 5 ASP HA H -0.595 3.235 -3.102 1.00 . A A . 4 ASP HA 1 1 11 1140 1 1 5 ASP HB2 H -2.348 3.234 -0.599 1.00 . A A . 4 ASP HB2 1 1 11 1141 1 1 5 ASP HB3 H -2.531 4.211 -2.045 1.00 . A A . 4 ASP HB3 1 1 11 1142 1 1 5 ASP N N -0.594 1.453 -1.996 1.00 . A A . 4 ASP N 1 1 11 1143 1 1 5 ASP O O 0.926 4.459 -1.476 1.00 . A A . 4 ASP O 1 1 11 1144 1 1 5 ASP OD1 O -3.517 2.335 -3.441 1.00 . A A . 4 ASP OD1 1 1 11 1145 1 1 5 ASP OD2 O -3.514 1.277 -1.524 1.00 . A A . 4 ASP OD2 1 1 11 1146 1 1 6 ALA C C 2.200 2.510 1.433 1.00 . A A . 5 ALA C 1 1 11 1147 1 1 6 ALA CA C 1.053 3.463 1.153 1.00 . A A . 5 ALA CA 1 1 11 1148 1 1 6 ALA CB C 0.245 3.608 2.440 1.00 . A A . 5 ALA CB 1 1 11 1149 1 1 6 ALA H H -0.475 2.273 0.197 1.00 . A A . 5 ALA H 1 1 11 1150 1 1 6 ALA HA H 1.471 4.417 0.896 1.00 . A A . 5 ALA HA 1 1 11 1151 1 1 6 ALA HB1 H -0.213 2.661 2.675 1.00 . A A . 5 ALA HB1 1 1 11 1152 1 1 6 ALA HB2 H 0.900 3.866 3.260 1.00 . A A . 5 ALA HB2 1 1 11 1153 1 1 6 ALA HB3 H -0.525 4.358 2.340 1.00 . A A . 5 ALA HB3 1 1 11 1154 1 1 6 ALA N N 0.162 3.004 0.045 1.00 . A A . 5 ALA N 1 1 11 1155 1 1 6 ALA O O 3.348 2.904 1.405 1.00 . A A . 5 ALA O 1 1 11 1156 1 1 7 ASP C C 2.074 -0.384 3.359 1.00 . A A . 6 ASP C 1 1 11 1157 1 1 7 ASP CA C 2.634 0.104 2.022 1.00 . A A . 6 ASP CA 1 1 11 1158 1 1 7 ASP CB C 4.142 0.452 2.240 1.00 . A A . 6 ASP CB 1 1 11 1159 1 1 7 ASP CG C 5.007 -0.786 2.565 1.00 . A A . 6 ASP CG 1 1 11 1160 1 1 7 ASP H H 0.817 1.172 1.661 1.00 . A A . 6 ASP H 1 1 11 1161 1 1 7 ASP HA H 2.491 -0.655 1.280 1.00 . A A . 6 ASP HA 1 1 11 1162 1 1 7 ASP HB2 H 4.538 0.891 1.338 1.00 . A A . 6 ASP HB2 1 1 11 1163 1 1 7 ASP HB3 H 4.238 1.164 3.047 1.00 . A A . 6 ASP HB3 1 1 11 1164 1 1 7 ASP N N 1.784 1.299 1.690 1.00 . A A . 6 ASP N 1 1 11 1165 1 1 7 ASP O O 2.045 -1.562 3.657 1.00 . A A . 6 ASP O 1 1 11 1166 1 1 7 ASP OD1 O 4.567 -1.898 2.320 1.00 . A A . 6 ASP OD1 1 1 11 1167 1 1 7 ASP OD2 O 6.098 -0.534 3.050 1.00 . A A . 6 ASP OD2 1 1 11 1168 1 1 8 PHE C C -0.388 0.898 5.575 1.00 . A A . 7 PHE C 1 1 11 1169 1 1 8 PHE CA C 1.049 0.363 5.458 1.00 . A A . 7 PHE CA 1 1 11 1170 1 1 8 PHE CB C 1.954 1.039 6.507 1.00 . A A . 7 PHE CB 1 1 11 1171 1 1 8 PHE CD1 C 2.459 3.178 5.225 1.00 . A A . 7 PHE CD1 1 1 11 1172 1 1 8 PHE CD2 C 1.444 3.349 7.368 1.00 . A A . 7 PHE CD2 1 1 11 1173 1 1 8 PHE CE1 C 2.458 4.553 5.112 1.00 . A A . 7 PHE CE1 1 1 11 1174 1 1 8 PHE CE2 C 1.440 4.724 7.261 1.00 . A A . 7 PHE CE2 1 1 11 1175 1 1 8 PHE CG C 1.953 2.567 6.353 1.00 . A A . 7 PHE CG 1 1 11 1176 1 1 8 PHE CZ C 1.949 5.328 6.131 1.00 . A A . 7 PHE CZ 1 1 11 1177 1 1 8 PHE H H 1.693 1.494 3.766 1.00 . A A . 7 PHE H 1 1 11 1178 1 1 8 PHE HA H 1.041 -0.682 5.643 1.00 . A A . 7 PHE HA 1 1 11 1179 1 1 8 PHE HB2 H 1.608 0.779 7.495 1.00 . A A . 7 PHE HB2 1 1 11 1180 1 1 8 PHE HB3 H 2.968 0.681 6.393 1.00 . A A . 7 PHE HB3 1 1 11 1181 1 1 8 PHE HD1 H 2.848 2.569 4.423 1.00 . A A . 7 PHE HD1 1 1 11 1182 1 1 8 PHE HD2 H 1.042 2.867 8.247 1.00 . A A . 7 PHE HD2 1 1 11 1183 1 1 8 PHE HE1 H 2.859 5.021 4.224 1.00 . A A . 7 PHE HE1 1 1 11 1184 1 1 8 PHE HE2 H 1.037 5.325 8.063 1.00 . A A . 7 PHE HE2 1 1 11 1185 1 1 8 PHE HZ H 1.946 6.405 6.045 1.00 . A A . 7 PHE HZ 1 1 11 1186 1 1 8 PHE N N 1.636 0.588 4.113 1.00 . A A . 7 PHE N 1 1 11 1187 1 1 8 PHE O O -0.830 1.517 4.624 1.00 . A A . 7 PHE O 1 1 11 1188 1 1 8 PHE OXT O -0.972 0.657 6.619 1.00 . A A . 7 PHE OXT 1 1 12 1189 1 1 2 PHE C C -4.024 -2.260 0.616 1.00 . A A . 1 PHE C 1 1 12 1190 1 1 2 PHE CA C -4.471 -3.710 0.758 1.00 . A A . 1 PHE CA 1 1 12 1191 1 1 2 PHE CB C -3.695 -4.494 1.888 1.00 . A A . 1 PHE CB 1 1 12 1192 1 1 2 PHE CD1 C -1.866 -5.520 0.443 1.00 . A A . 1 PHE CD1 1 1 12 1193 1 1 2 PHE CD2 C -1.212 -4.290 2.362 1.00 . A A . 1 PHE CD2 1 1 12 1194 1 1 2 PHE CE1 C -0.545 -5.773 0.148 1.00 . A A . 1 PHE CE1 1 1 12 1195 1 1 2 PHE CE2 C 0.114 -4.538 2.074 1.00 . A A . 1 PHE CE2 1 1 12 1196 1 1 2 PHE CG C -2.215 -4.780 1.551 1.00 . A A . 1 PHE CG 1 1 12 1197 1 1 2 PHE CZ C 0.449 -5.282 0.964 1.00 . A A . 1 PHE CZ 1 1 12 1198 1 1 2 PHE H H -3.345 -4.382 -0.898 1.00 . A A . 1 PHE H 1 1 12 1199 1 1 2 PHE HA H -5.507 -3.736 0.970 1.00 . A A . 1 PHE HA 1 1 12 1200 1 1 2 PHE HB2 H -3.738 -3.922 2.805 1.00 . A A . 1 PHE HB2 1 1 12 1201 1 1 2 PHE HB3 H -4.189 -5.440 2.064 1.00 . A A . 1 PHE HB3 1 1 12 1202 1 1 2 PHE HD1 H -2.639 -5.898 -0.206 1.00 . A A . 1 PHE HD1 1 1 12 1203 1 1 2 PHE HD2 H -1.471 -3.703 3.229 1.00 . A A . 1 PHE HD2 1 1 12 1204 1 1 2 PHE HE1 H -0.294 -6.358 -0.726 1.00 . A A . 1 PHE HE1 1 1 12 1205 1 1 2 PHE HE2 H 0.889 -4.147 2.719 1.00 . A A . 1 PHE HE2 1 1 12 1206 1 1 2 PHE HZ H 1.489 -5.475 0.738 1.00 . A A . 1 PHE HZ 1 1 12 1207 1 1 2 PHE N N -4.241 -4.410 -0.516 1.00 . A A . 1 PHE N 1 1 12 1208 1 1 2 PHE O O -4.800 -1.418 0.215 1.00 . A A . 1 PHE O 1 1 12 1209 1 1 3 THR C C -1.047 -0.579 -0.139 1.00 . A A . 2 THR C 1 1 12 1210 1 1 3 THR CA C -2.185 -0.674 0.870 1.00 . A A . 2 THR CA 1 1 12 1211 1 1 3 THR CB C -1.719 -0.342 2.279 1.00 . A A . 2 THR CB 1 1 12 1212 1 1 3 THR CG2 C -2.903 -0.487 3.209 1.00 . A A . 2 THR CG2 1 1 12 1213 1 1 3 THR H H -2.242 -2.744 1.275 1.00 . A A . 2 THR H 1 1 12 1214 1 1 3 THR HA H -2.945 0.039 0.588 1.00 . A A . 2 THR HA 1 1 12 1215 1 1 3 THR HB H -1.201 0.601 2.332 1.00 . A A . 2 THR HB 1 1 12 1216 1 1 3 THR HG1 H -0.087 -1.033 3.079 1.00 . A A . 2 THR HG1 1 1 12 1217 1 1 3 THR HG21 H -3.270 -1.504 3.121 1.00 . A A . 2 THR HG21 1 1 12 1218 1 1 3 THR HG22 H -2.615 -0.274 4.226 1.00 . A A . 2 THR HG22 1 1 12 1219 1 1 3 THR HG23 H -3.664 0.210 2.891 1.00 . A A . 2 THR HG23 1 1 12 1220 1 1 3 THR N N -2.791 -2.022 0.945 1.00 . A A . 2 THR N 1 1 12 1221 1 1 3 THR O O 0.068 -0.233 0.203 1.00 . A A . 2 THR O 1 1 12 1222 1 1 3 THR OG1 O -0.866 -1.412 2.662 1.00 . A A . 2 THR OG1 1 1 12 1223 1 1 4 LEU C C -0.349 0.634 -2.989 1.00 . A A . 3 LEU C 1 1 12 1224 1 1 4 LEU CA C -0.276 -0.803 -2.430 1.00 . A A . 3 LEU CA 1 1 12 1225 1 1 4 LEU CB C -0.557 -1.829 -3.559 1.00 . A A . 3 LEU CB 1 1 12 1226 1 1 4 LEU CD1 C 0.788 -3.614 -2.309 1.00 . A A . 3 LEU CD1 1 1 12 1227 1 1 4 LEU CD2 C -1.731 -3.667 -2.205 1.00 . A A . 3 LEU CD2 1 1 12 1228 1 1 4 LEU CG C -0.518 -3.317 -3.086 1.00 . A A . 3 LEU CG 1 1 12 1229 1 1 4 LEU H H -2.257 -1.171 -1.589 1.00 . A A . 3 LEU H 1 1 12 1230 1 1 4 LEU HA H 0.700 -0.955 -1.992 1.00 . A A . 3 LEU HA 1 1 12 1231 1 1 4 LEU HB2 H -1.525 -1.614 -3.990 1.00 . A A . 3 LEU HB2 1 1 12 1232 1 1 4 LEU HB3 H 0.181 -1.693 -4.337 1.00 . A A . 3 LEU HB3 1 1 12 1233 1 1 4 LEU HD11 H 1.649 -3.407 -2.929 1.00 . A A . 3 LEU HD11 1 1 12 1234 1 1 4 LEU HD12 H 0.851 -3.011 -1.413 1.00 . A A . 3 LEU HD12 1 1 12 1235 1 1 4 LEU HD13 H 0.820 -4.654 -2.018 1.00 . A A . 3 LEU HD13 1 1 12 1236 1 1 4 LEU HD21 H -2.649 -3.456 -2.732 1.00 . A A . 3 LEU HD21 1 1 12 1237 1 1 4 LEU HD22 H -1.706 -4.719 -1.969 1.00 . A A . 3 LEU HD22 1 1 12 1238 1 1 4 LEU HD23 H -1.724 -3.115 -1.276 1.00 . A A . 3 LEU HD23 1 1 12 1239 1 1 4 LEU HG H -0.541 -3.950 -3.962 1.00 . A A . 3 LEU HG 1 1 12 1240 1 1 4 LEU N N -1.344 -0.884 -1.375 1.00 . A A . 3 LEU N 1 1 12 1241 1 1 4 LEU O O -0.250 0.898 -4.171 1.00 . A A . 3 LEU O 1 1 12 1242 1 1 5 ASP C C 0.299 3.600 -1.135 1.00 . A A . 4 ASP C 1 1 12 1243 1 1 5 ASP CA C -0.642 2.968 -2.161 1.00 . A A . 4 ASP CA 1 1 12 1244 1 1 5 ASP CB C -2.126 3.348 -1.913 1.00 . A A . 4 ASP CB 1 1 12 1245 1 1 5 ASP CG C -2.737 2.459 -0.810 1.00 . A A . 4 ASP CG 1 1 12 1246 1 1 5 ASP H H -0.580 1.150 -1.122 1.00 . A A . 4 ASP H 1 1 12 1247 1 1 5 ASP HA H -0.320 3.254 -3.140 1.00 . A A . 4 ASP HA 1 1 12 1248 1 1 5 ASP HB2 H -2.198 4.381 -1.605 1.00 . A A . 4 ASP HB2 1 1 12 1249 1 1 5 ASP HB3 H -2.690 3.223 -2.827 1.00 . A A . 4 ASP HB3 1 1 12 1250 1 1 5 ASP N N -0.522 1.497 -2.028 1.00 . A A . 4 ASP N 1 1 12 1251 1 1 5 ASP O O 1.016 4.536 -1.427 1.00 . A A . 4 ASP O 1 1 12 1252 1 1 5 ASP OD1 O -2.402 2.665 0.344 1.00 . A A . 4 ASP OD1 1 1 12 1253 1 1 5 ASP OD2 O -3.510 1.600 -1.195 1.00 . A A . 4 ASP OD2 1 1 12 1254 1 1 6 ALA C C 2.220 2.526 1.447 1.00 . A A . 5 ALA C 1 1 12 1255 1 1 6 ALA CA C 1.095 3.510 1.184 1.00 . A A . 5 ALA CA 1 1 12 1256 1 1 6 ALA CB C 0.259 3.612 2.456 1.00 . A A . 5 ALA CB 1 1 12 1257 1 1 6 ALA H H -0.371 2.294 0.175 1.00 . A A . 5 ALA H 1 1 12 1258 1 1 6 ALA HA H 1.524 4.467 0.947 1.00 . A A . 5 ALA HA 1 1 12 1259 1 1 6 ALA HB1 H -0.184 2.651 2.669 1.00 . A A . 5 ALA HB1 1 1 12 1260 1 1 6 ALA HB2 H 0.894 3.865 3.293 1.00 . A A . 5 ALA HB2 1 1 12 1261 1 1 6 ALA HB3 H -0.528 4.344 2.354 1.00 . A A . 5 ALA HB3 1 1 12 1262 1 1 6 ALA N N 0.251 3.042 0.044 1.00 . A A . 5 ALA N 1 1 12 1263 1 1 6 ALA O O 3.375 2.897 1.468 1.00 . A A . 5 ALA O 1 1 12 1264 1 1 7 ASP C C 2.041 -0.418 3.266 1.00 . A A . 6 ASP C 1 1 12 1265 1 1 7 ASP CA C 2.577 0.082 1.927 1.00 . A A . 6 ASP CA 1 1 12 1266 1 1 7 ASP CB C 4.103 0.366 2.103 1.00 . A A . 6 ASP CB 1 1 12 1267 1 1 7 ASP CG C 4.928 -0.918 2.354 1.00 . A A . 6 ASP CG 1 1 12 1268 1 1 7 ASP H H 0.799 1.213 1.575 1.00 . A A . 6 ASP H 1 1 12 1269 1 1 7 ASP HA H 2.384 -0.656 1.174 1.00 . A A . 6 ASP HA 1 1 12 1270 1 1 7 ASP HB2 H 4.485 0.825 1.205 1.00 . A A . 6 ASP HB2 1 1 12 1271 1 1 7 ASP HB3 H 4.253 1.042 2.932 1.00 . A A . 6 ASP HB3 1 1 12 1272 1 1 7 ASP N N 1.770 1.315 1.634 1.00 . A A . 6 ASP N 1 1 12 1273 1 1 7 ASP O O 1.975 -1.600 3.542 1.00 . A A . 6 ASP O 1 1 12 1274 1 1 7 ASP OD1 O 4.436 -2.003 2.089 1.00 . A A . 6 ASP OD1 1 1 12 1275 1 1 7 ASP OD2 O 6.046 -0.727 2.806 1.00 . A A . 6 ASP OD2 1 1 12 1276 1 1 8 PHE C C -0.314 0.869 5.588 1.00 . A A . 7 PHE C 1 1 12 1277 1 1 8 PHE CA C 1.111 0.321 5.414 1.00 . A A . 7 PHE CA 1 1 12 1278 1 1 8 PHE CB C 2.064 0.976 6.424 1.00 . A A . 7 PHE CB 1 1 12 1279 1 1 8 PHE CD1 C 2.537 3.134 5.160 1.00 . A A . 7 PHE CD1 1 1 12 1280 1 1 8 PHE CD2 C 1.552 3.272 7.320 1.00 . A A . 7 PHE CD2 1 1 12 1281 1 1 8 PHE CE1 C 2.527 4.509 5.065 1.00 . A A . 7 PHE CE1 1 1 12 1282 1 1 8 PHE CE2 C 1.540 4.649 7.230 1.00 . A A . 7 PHE CE2 1 1 12 1283 1 1 8 PHE CG C 2.051 2.506 6.289 1.00 . A A . 7 PHE CG 1 1 12 1284 1 1 8 PHE CZ C 2.029 5.270 6.101 1.00 . A A . 7 PHE CZ 1 1 12 1285 1 1 8 PHE H H 1.740 1.463 3.721 1.00 . A A . 7 PHE H 1 1 12 1286 1 1 8 PHE HA H 1.101 -0.724 5.589 1.00 . A A . 7 PHE HA 1 1 12 1287 1 1 8 PHE HB2 H 1.764 0.704 7.426 1.00 . A A . 7 PHE HB2 1 1 12 1288 1 1 8 PHE HB3 H 3.071 0.621 6.259 1.00 . A A . 7 PHE HB3 1 1 12 1289 1 1 8 PHE HD1 H 2.913 2.537 4.342 1.00 . A A . 7 PHE HD1 1 1 12 1290 1 1 8 PHE HD2 H 1.167 2.775 8.198 1.00 . A A . 7 PHE HD2 1 1 12 1291 1 1 8 PHE HE1 H 2.912 4.990 4.176 1.00 . A A . 7 PHE HE1 1 1 12 1292 1 1 8 PHE HE2 H 1.146 5.238 8.045 1.00 . A A . 7 PHE HE2 1 1 12 1293 1 1 8 PHE HZ H 2.021 6.347 6.027 1.00 . A A . 7 PHE HZ 1 1 12 1294 1 1 8 PHE N N 1.662 0.552 4.053 1.00 . A A . 7 PHE N 1 1 12 1295 1 1 8 PHE O O -0.768 1.525 4.669 1.00 . A A . 7 PHE O 1 1 12 1296 1 1 8 PHE OXT O -0.872 0.598 6.638 1.00 . A A . 7 PHE OXT 1 1 13 1297 1 1 2 PHE C C -4.614 -2.429 -0.184 1.00 . A A . 1 PHE C 1 1 13 1298 1 1 2 PHE CA C -5.039 -3.890 -0.051 1.00 . A A . 1 PHE CA 1 1 13 1299 1 1 2 PHE CB C -4.380 -4.627 1.179 1.00 . A A . 1 PHE CB 1 1 13 1300 1 1 2 PHE CD1 C -2.350 -5.593 -0.021 1.00 . A A . 1 PHE CD1 1 1 13 1301 1 1 2 PHE CD2 C -1.983 -4.306 1.938 1.00 . A A . 1 PHE CD2 1 1 13 1302 1 1 2 PHE CE1 C -0.995 -5.789 -0.154 1.00 . A A . 1 PHE CE1 1 1 13 1303 1 1 2 PHE CE2 C -0.625 -4.498 1.810 1.00 . A A . 1 PHE CE2 1 1 13 1304 1 1 2 PHE CG C -2.860 -4.852 1.023 1.00 . A A . 1 PHE CG 1 1 13 1305 1 1 2 PHE CZ C -0.128 -5.240 0.763 1.00 . A A . 1 PHE CZ 1 1 13 1306 1 1 2 PHE H H -3.707 -4.539 -1.548 1.00 . A A . 1 PHE H 1 1 13 1307 1 1 2 PHE HA H -6.092 -3.943 0.035 1.00 . A A . 1 PHE HA 1 1 13 1308 1 1 2 PHE HB2 H -4.556 -4.048 2.074 1.00 . A A . 1 PHE HB2 1 1 13 1309 1 1 2 PHE HB3 H -4.852 -5.591 1.309 1.00 . A A . 1 PHE HB3 1 1 13 1310 1 1 2 PHE HD1 H -3.023 -6.016 -0.750 1.00 . A A . 1 PHE HD1 1 1 13 1311 1 1 2 PHE HD2 H -2.368 -3.719 2.757 1.00 . A A . 1 PHE HD2 1 1 13 1312 1 1 2 PHE HE1 H -0.618 -6.372 -0.981 1.00 . A A . 1 PHE HE1 1 1 13 1313 1 1 2 PHE HE2 H 0.052 -4.061 2.531 1.00 . A A . 1 PHE HE2 1 1 13 1314 1 1 2 PHE HZ H 0.938 -5.386 0.663 1.00 . A A . 1 PHE HZ 1 1 13 1315 1 1 2 PHE N N -4.638 -4.607 -1.269 1.00 . A A . 1 PHE N 1 1 13 1316 1 1 2 PHE O O -5.341 -1.628 -0.735 1.00 . A A . 1 PHE O 1 1 13 1317 1 1 3 THR C C -1.600 -0.663 -0.517 1.00 . A A . 2 THR C 1 1 13 1318 1 1 3 THR CA C -2.885 -0.766 0.278 1.00 . A A . 2 THR CA 1 1 13 1319 1 1 3 THR CB C -2.652 -0.337 1.711 1.00 . A A . 2 THR CB 1 1 13 1320 1 1 3 THR CG2 C -3.954 -0.490 2.446 1.00 . A A . 2 THR CG2 1 1 13 1321 1 1 3 THR H H -2.940 -2.822 0.758 1.00 . A A . 2 THR H 1 1 13 1322 1 1 3 THR HA H -3.608 -0.104 -0.175 1.00 . A A . 2 THR HA 1 1 13 1323 1 1 3 THR HB H -2.193 0.635 1.767 1.00 . A A . 2 THR HB 1 1 13 1324 1 1 3 THR HG1 H -1.009 -1.401 1.750 1.00 . A A . 2 THR HG1 1 1 13 1325 1 1 3 THR HG21 H -4.263 -1.526 2.358 1.00 . A A . 2 THR HG21 1 1 13 1326 1 1 3 THR HG22 H -3.843 -0.211 3.477 1.00 . A A . 2 THR HG22 1 1 13 1327 1 1 3 THR HG23 H -4.676 0.155 1.967 1.00 . A A . 2 THR HG23 1 1 13 1328 1 1 3 THR N N -3.454 -2.133 0.319 1.00 . A A . 2 THR N 1 1 13 1329 1 1 3 THR O O -0.581 -0.284 0.023 1.00 . A A . 2 THR O 1 1 13 1330 1 1 3 THR OG1 O -1.806 -1.326 2.292 1.00 . A A . 2 THR OG1 1 1 13 1331 1 1 4 LEU C C -0.305 0.546 -3.113 1.00 . A A . 3 LEU C 1 1 13 1332 1 1 4 LEU CA C -0.460 -0.914 -2.638 1.00 . A A . 3 LEU CA 1 1 13 1333 1 1 4 LEU CB C -0.632 -1.872 -3.847 1.00 . A A . 3 LEU CB 1 1 13 1334 1 1 4 LEU CD1 C 0.543 -3.779 -2.617 1.00 . A A . 3 LEU CD1 1 1 13 1335 1 1 4 LEU CD2 C -1.968 -3.704 -2.607 1.00 . A A . 3 LEU CD2 1 1 13 1336 1 1 4 LEU CG C -0.706 -3.384 -3.440 1.00 . A A . 3 LEU CG 1 1 13 1337 1 1 4 LEU H H -2.538 -1.298 -2.137 1.00 . A A . 3 LEU H 1 1 13 1338 1 1 4 LEU HA H 0.409 -1.181 -2.063 1.00 . A A . 3 LEU HA 1 1 13 1339 1 1 4 LEU HB2 H -1.526 -1.598 -4.390 1.00 . A A . 3 LEU HB2 1 1 13 1340 1 1 4 LEU HB3 H 0.210 -1.734 -4.510 1.00 . A A . 3 LEU HB3 1 1 13 1341 1 1 4 LEU HD11 H 1.442 -3.592 -3.184 1.00 . A A . 3 LEU HD11 1 1 13 1342 1 1 4 LEU HD12 H 0.590 -3.211 -1.698 1.00 . A A . 3 LEU HD12 1 1 13 1343 1 1 4 LEU HD13 H 0.510 -4.827 -2.364 1.00 . A A . 3 LEU HD13 1 1 13 1344 1 1 4 LEU HD21 H -2.859 -3.412 -3.143 1.00 . A A . 3 LEU HD21 1 1 13 1345 1 1 4 LEU HD22 H -2.007 -4.766 -2.421 1.00 . A A . 3 LEU HD22 1 1 13 1346 1 1 4 LEU HD23 H -1.950 -3.201 -1.649 1.00 . A A . 3 LEU HD23 1 1 13 1347 1 1 4 LEU HG H -0.726 -3.979 -4.341 1.00 . A A . 3 LEU HG 1 1 13 1348 1 1 4 LEU N N -1.681 -0.992 -1.777 1.00 . A A . 3 LEU N 1 1 13 1349 1 1 4 LEU O O -0.026 0.838 -4.260 1.00 . A A . 3 LEU O 1 1 13 1350 1 1 5 ASP C C 0.380 3.392 -1.089 1.00 . A A . 4 ASP C 1 1 13 1351 1 1 5 ASP CA C -0.436 2.877 -2.275 1.00 . A A . 4 ASP CA 1 1 13 1352 1 1 5 ASP CB C -1.862 3.493 -2.240 1.00 . A A . 4 ASP CB 1 1 13 1353 1 1 5 ASP CG C -2.520 3.284 -0.862 1.00 . A A . 4 ASP CG 1 1 13 1354 1 1 5 ASP H H -0.733 1.056 -1.271 1.00 . A A . 4 ASP H 1 1 13 1355 1 1 5 ASP HA H 0.085 3.124 -3.175 1.00 . A A . 4 ASP HA 1 1 13 1356 1 1 5 ASP HB2 H -1.801 4.552 -2.448 1.00 . A A . 4 ASP HB2 1 1 13 1357 1 1 5 ASP HB3 H -2.483 3.031 -2.994 1.00 . A A . 4 ASP HB3 1 1 13 1358 1 1 5 ASP N N -0.511 1.403 -2.150 1.00 . A A . 4 ASP N 1 1 13 1359 1 1 5 ASP O O 1.247 4.232 -1.238 1.00 . A A . 4 ASP O 1 1 13 1360 1 1 5 ASP OD1 O -2.740 2.132 -0.530 1.00 . A A . 4 ASP OD1 1 1 13 1361 1 1 5 ASP OD2 O -2.762 4.283 -0.209 1.00 . A A . 4 ASP OD2 1 1 13 1362 1 1 6 ALA C C 1.616 2.160 1.960 1.00 . A A . 5 ALA C 1 1 13 1363 1 1 6 ALA CA C 0.742 3.238 1.330 1.00 . A A . 5 ALA CA 1 1 13 1364 1 1 6 ALA CB C -0.322 3.657 2.342 1.00 . A A . 5 ALA CB 1 1 13 1365 1 1 6 ALA H H -0.663 2.178 0.072 1.00 . A A . 5 ALA H 1 1 13 1366 1 1 6 ALA HA H 1.375 4.081 1.133 1.00 . A A . 5 ALA HA 1 1 13 1367 1 1 6 ALA HB1 H -0.893 4.492 1.961 1.00 . A A . 5 ALA HB1 1 1 13 1368 1 1 6 ALA HB2 H -0.989 2.823 2.511 1.00 . A A . 5 ALA HB2 1 1 13 1369 1 1 6 ALA HB3 H 0.137 3.937 3.280 1.00 . A A . 5 ALA HB3 1 1 13 1370 1 1 6 ALA N N 0.055 2.851 0.060 1.00 . A A . 5 ALA N 1 1 13 1371 1 1 6 ALA O O 2.748 2.424 2.315 1.00 . A A . 5 ALA O 1 1 13 1372 1 1 7 ASP C C 2.521 0.138 3.943 1.00 . A A . 6 ASP C 1 1 13 1373 1 1 7 ASP CA C 1.719 -0.212 2.672 1.00 . A A . 6 ASP CA 1 1 13 1374 1 1 7 ASP CB C 2.680 -0.823 1.680 1.00 . A A . 6 ASP CB 1 1 13 1375 1 1 7 ASP CG C 1.971 -1.366 0.440 1.00 . A A . 6 ASP CG 1 1 13 1376 1 1 7 ASP H H 0.131 0.928 1.725 1.00 . A A . 6 ASP H 1 1 13 1377 1 1 7 ASP HA H 0.961 -0.933 2.937 1.00 . A A . 6 ASP HA 1 1 13 1378 1 1 7 ASP HB2 H 3.387 -0.053 1.414 1.00 . A A . 6 ASP HB2 1 1 13 1379 1 1 7 ASP HB3 H 3.188 -1.630 2.184 1.00 . A A . 6 ASP HB3 1 1 13 1380 1 1 7 ASP N N 1.044 0.993 2.067 1.00 . A A . 6 ASP N 1 1 13 1381 1 1 7 ASP O O 3.549 -0.436 4.245 1.00 . A A . 6 ASP O 1 1 13 1382 1 1 7 ASP OD1 O 1.182 -2.281 0.619 1.00 . A A . 6 ASP OD1 1 1 13 1383 1 1 7 ASP OD2 O 2.261 -0.836 -0.620 1.00 . A A . 6 ASP OD2 1 1 13 1384 1 1 8 PHE C C 3.816 1.304 6.379 1.00 . A A . 7 PHE C 1 1 13 1385 1 1 8 PHE CA C 2.399 1.704 5.896 1.00 . A A . 7 PHE CA 1 1 13 1386 1 1 8 PHE CB C 1.299 1.339 6.917 1.00 . A A . 7 PHE CB 1 1 13 1387 1 1 8 PHE CD1 C -0.514 2.671 5.726 1.00 . A A . 7 PHE CD1 1 1 13 1388 1 1 8 PHE CD2 C -0.878 0.343 6.090 1.00 . A A . 7 PHE CD2 1 1 13 1389 1 1 8 PHE CE1 C -1.743 2.769 5.110 1.00 . A A . 7 PHE CE1 1 1 13 1390 1 1 8 PHE CE2 C -2.107 0.440 5.474 1.00 . A A . 7 PHE CE2 1 1 13 1391 1 1 8 PHE CG C -0.074 1.458 6.223 1.00 . A A . 7 PHE CG 1 1 13 1392 1 1 8 PHE CZ C -2.541 1.654 4.984 1.00 . A A . 7 PHE CZ 1 1 13 1393 1 1 8 PHE H H 1.111 1.437 4.228 1.00 . A A . 7 PHE H 1 1 13 1394 1 1 8 PHE HA H 2.395 2.776 5.760 1.00 . A A . 7 PHE HA 1 1 13 1395 1 1 8 PHE HB2 H 1.434 0.326 7.271 1.00 . A A . 7 PHE HB2 1 1 13 1396 1 1 8 PHE HB3 H 1.332 2.013 7.760 1.00 . A A . 7 PHE HB3 1 1 13 1397 1 1 8 PHE HD1 H 0.120 3.542 5.805 1.00 . A A . 7 PHE HD1 1 1 13 1398 1 1 8 PHE HD2 H -0.533 -0.615 6.458 1.00 . A A . 7 PHE HD2 1 1 13 1399 1 1 8 PHE HE1 H -2.082 3.719 4.726 1.00 . A A . 7 PHE HE1 1 1 13 1400 1 1 8 PHE HE2 H -2.729 -0.438 5.377 1.00 . A A . 7 PHE HE2 1 1 13 1401 1 1 8 PHE HZ H -3.505 1.733 4.501 1.00 . A A . 7 PHE HZ 1 1 13 1402 1 1 8 PHE N N 1.940 1.089 4.613 1.00 . A A . 7 PHE N 1 1 13 1403 1 1 8 PHE O O 3.926 0.590 7.365 1.00 . A A . 7 PHE O 1 1 13 1404 1 1 8 PHE OXT O 4.728 1.754 5.709 1.00 . A A . 7 PHE OXT 1 1 14 1405 1 1 2 PHE C C -3.916 -2.175 0.626 1.00 . A A . 1 PHE C 1 1 14 1406 1 1 2 PHE CA C -4.541 -3.564 0.579 1.00 . A A . 1 PHE CA 1 1 14 1407 1 1 2 PHE CB C -3.852 -4.575 1.571 1.00 . A A . 1 PHE CB 1 1 14 1408 1 1 2 PHE CD1 C -2.235 -5.670 -0.064 1.00 . A A . 1 PHE CD1 1 1 14 1409 1 1 2 PHE CD2 C -1.355 -4.768 1.947 1.00 . A A . 1 PHE CD2 1 1 14 1410 1 1 2 PHE CE1 C -0.974 -6.066 -0.445 1.00 . A A . 1 PHE CE1 1 1 14 1411 1 1 2 PHE CE2 C -0.087 -5.161 1.571 1.00 . A A . 1 PHE CE2 1 1 14 1412 1 1 2 PHE CG C -2.440 -5.018 1.135 1.00 . A A . 1 PHE CG 1 1 14 1413 1 1 2 PHE CZ C 0.105 -5.812 0.372 1.00 . A A . 1 PHE CZ 1 1 14 1414 1 1 2 PHE H H -3.582 -4.181 -1.214 1.00 . A A . 1 PHE H 1 1 14 1415 1 1 2 PHE HA H -5.561 -3.486 0.841 1.00 . A A . 1 PHE HA 1 1 14 1416 1 1 2 PHE HB2 H -3.788 -4.117 2.548 1.00 . A A . 1 PHE HB2 1 1 14 1417 1 1 2 PHE HB3 H -4.470 -5.457 1.661 1.00 . A A . 1 PHE HB3 1 1 14 1418 1 1 2 PHE HD1 H -3.073 -5.864 -0.714 1.00 . A A . 1 PHE HD1 1 1 14 1419 1 1 2 PHE HD2 H -1.499 -4.253 2.885 1.00 . A A . 1 PHE HD2 1 1 14 1420 1 1 2 PHE HE1 H -0.837 -6.576 -1.389 1.00 . A A . 1 PHE HE1 1 1 14 1421 1 1 2 PHE HE2 H 0.754 -4.955 2.217 1.00 . A A . 1 PHE HE2 1 1 14 1422 1 1 2 PHE HZ H 1.097 -6.120 0.077 1.00 . A A . 1 PHE HZ 1 1 14 1423 1 1 2 PHE N N -4.454 -4.133 -0.779 1.00 . A A . 1 PHE N 1 1 14 1424 1 1 2 PHE O O -4.611 -1.188 0.498 1.00 . A A . 1 PHE O 1 1 14 1425 1 1 3 THR C C -0.829 -0.735 -0.227 1.00 . A A . 2 THR C 1 1 14 1426 1 1 3 THR CA C -1.870 -0.872 0.878 1.00 . A A . 2 THR CA 1 1 14 1427 1 1 3 THR CB C -1.229 -0.832 2.268 1.00 . A A . 2 THR CB 1 1 14 1428 1 1 3 THR CG2 C -2.324 -1.042 3.295 1.00 . A A . 2 THR CG2 1 1 14 1429 1 1 3 THR H H -2.155 -2.977 0.925 1.00 . A A . 2 THR H 1 1 14 1430 1 1 3 THR HA H -2.555 -0.041 0.784 1.00 . A A . 2 THR HA 1 1 14 1431 1 1 3 THR HB H -0.609 0.038 2.441 1.00 . A A . 2 THR HB 1 1 14 1432 1 1 3 THR HG1 H 0.444 -1.807 2.547 1.00 . A A . 2 THR HG1 1 1 14 1433 1 1 3 THR HG21 H -2.802 -1.995 3.088 1.00 . A A . 2 THR HG21 1 1 14 1434 1 1 3 THR HG22 H -1.917 -1.033 4.295 1.00 . A A . 2 THR HG22 1 1 14 1435 1 1 3 THR HG23 H -3.045 -0.244 3.193 1.00 . A A . 2 THR HG23 1 1 14 1436 1 1 3 THR N N -2.631 -2.143 0.809 1.00 . A A . 2 THR N 1 1 14 1437 1 1 3 THR O O 0.323 -0.451 0.036 1.00 . A A . 2 THR O 1 1 14 1438 1 1 3 THR OG1 O -0.469 -2.031 2.344 1.00 . A A . 2 THR OG1 1 1 14 1439 1 1 4 LEU C C -0.452 0.674 -3.037 1.00 . A A . 3 LEU C 1 1 14 1440 1 1 4 LEU CA C -0.275 -0.792 -2.588 1.00 . A A . 3 LEU CA 1 1 14 1441 1 1 4 LEU CB C -0.646 -1.745 -3.757 1.00 . A A . 3 LEU CB 1 1 14 1442 1 1 4 LEU CD1 C 0.597 -3.663 -2.593 1.00 . A A . 3 LEU CD1 1 1 14 1443 1 1 4 LEU CD2 C -1.938 -3.613 -2.573 1.00 . A A . 3 LEU CD2 1 1 14 1444 1 1 4 LEU CG C -0.674 -3.259 -3.378 1.00 . A A . 3 LEU CG 1 1 14 1445 1 1 4 LEU H H -2.188 -1.157 -1.613 1.00 . A A . 3 LEU H 1 1 14 1446 1 1 4 LEU HA H 0.740 -0.943 -2.249 1.00 . A A . 3 LEU HA 1 1 14 1447 1 1 4 LEU HB2 H -1.614 -1.455 -4.145 1.00 . A A . 3 LEU HB2 1 1 14 1448 1 1 4 LEU HB3 H 0.074 -1.600 -4.551 1.00 . A A . 3 LEU HB3 1 1 14 1449 1 1 4 LEU HD11 H 1.478 -3.458 -3.182 1.00 . A A . 3 LEU HD11 1 1 14 1450 1 1 4 LEU HD12 H 0.665 -3.117 -1.663 1.00 . A A . 3 LEU HD12 1 1 14 1451 1 1 4 LEU HD13 H 0.575 -4.718 -2.365 1.00 . A A . 3 LEU HD13 1 1 14 1452 1 1 4 LEU HD21 H -2.819 -3.337 -3.134 1.00 . A A . 3 LEU HD21 1 1 14 1453 1 1 4 LEU HD22 H -1.971 -4.677 -2.392 1.00 . A A . 3 LEU HD22 1 1 14 1454 1 1 4 LEU HD23 H -1.956 -3.108 -1.621 1.00 . A A . 3 LEU HD23 1 1 14 1455 1 1 4 LEU HG H -0.694 -3.831 -4.296 1.00 . A A . 3 LEU HG 1 1 14 1456 1 1 4 LEU N N -1.248 -0.926 -1.451 1.00 . A A . 3 LEU N 1 1 14 1457 1 1 4 LEU O O -0.414 1.016 -4.203 1.00 . A A . 3 LEU O 1 1 14 1458 1 1 5 ASP C C 0.167 3.544 -1.135 1.00 . A A . 4 ASP C 1 1 14 1459 1 1 5 ASP CA C -0.845 2.937 -2.098 1.00 . A A . 4 ASP CA 1 1 14 1460 1 1 5 ASP CB C -2.282 3.291 -1.640 1.00 . A A . 4 ASP CB 1 1 14 1461 1 1 5 ASP CG C -3.302 2.267 -2.177 1.00 . A A . 4 ASP CG 1 1 14 1462 1 1 5 ASP H H -0.636 1.085 -1.129 1.00 . A A . 4 ASP H 1 1 14 1463 1 1 5 ASP HA H -0.638 3.274 -3.092 1.00 . A A . 4 ASP HA 1 1 14 1464 1 1 5 ASP HB2 H -2.351 3.307 -0.562 1.00 . A A . 4 ASP HB2 1 1 14 1465 1 1 5 ASP HB3 H -2.542 4.272 -2.009 1.00 . A A . 4 ASP HB3 1 1 14 1466 1 1 5 ASP N N -0.635 1.473 -2.018 1.00 . A A . 4 ASP N 1 1 14 1467 1 1 5 ASP O O 0.900 4.457 -1.458 1.00 . A A . 4 ASP O 1 1 14 1468 1 1 5 ASP OD1 O -3.288 1.164 -1.646 1.00 . A A . 4 ASP OD1 1 1 14 1469 1 1 5 ASP OD2 O -4.031 2.641 -3.078 1.00 . A A . 4 ASP OD2 1 1 14 1470 1 1 6 ALA C C 2.181 2.433 1.428 1.00 . A A . 5 ALA C 1 1 14 1471 1 1 6 ALA CA C 1.055 3.415 1.147 1.00 . A A . 5 ALA CA 1 1 14 1472 1 1 6 ALA CB C 0.250 3.585 2.434 1.00 . A A . 5 ALA CB 1 1 14 1473 1 1 6 ALA H H -0.490 2.246 0.190 1.00 . A A . 5 ALA H 1 1 14 1474 1 1 6 ALA HA H 1.496 4.356 0.887 1.00 . A A . 5 ALA HA 1 1 14 1475 1 1 6 ALA HB1 H -0.235 2.655 2.679 1.00 . A A . 5 ALA HB1 1 1 14 1476 1 1 6 ALA HB2 H 0.914 3.831 3.251 1.00 . A A . 5 ALA HB2 1 1 14 1477 1 1 6 ALA HB3 H -0.498 4.357 2.331 1.00 . A A . 5 ALA HB3 1 1 14 1478 1 1 6 ALA N N 0.148 2.976 0.043 1.00 . A A . 5 ALA N 1 1 14 1479 1 1 6 ALA O O 3.338 2.794 1.371 1.00 . A A . 5 ALA O 1 1 14 1480 1 1 7 ASP C C 2.041 -0.385 3.439 1.00 . A A . 6 ASP C 1 1 14 1481 1 1 7 ASP CA C 2.557 0.028 2.060 1.00 . A A . 6 ASP CA 1 1 14 1482 1 1 7 ASP CB C 4.084 0.325 2.197 1.00 . A A . 6 ASP CB 1 1 14 1483 1 1 7 ASP CG C 4.916 -0.938 2.514 1.00 . A A . 6 ASP CG 1 1 14 1484 1 1 7 ASP H H 0.766 1.142 1.708 1.00 . A A . 6 ASP H 1 1 14 1485 1 1 7 ASP HA H 2.355 -0.755 1.357 1.00 . A A . 6 ASP HA 1 1 14 1486 1 1 7 ASP HB2 H 4.453 0.729 1.266 1.00 . A A . 6 ASP HB2 1 1 14 1487 1 1 7 ASP HB3 H 4.245 1.051 2.981 1.00 . A A . 6 ASP HB3 1 1 14 1488 1 1 7 ASP N N 1.737 1.241 1.718 1.00 . A A . 6 ASP N 1 1 14 1489 1 1 7 ASP O O 1.989 -1.548 3.792 1.00 . A A . 6 ASP O 1 1 14 1490 1 1 7 ASP OD1 O 4.420 -2.039 2.326 1.00 . A A . 6 ASP OD1 1 1 14 1491 1 1 7 ASP OD2 O 6.041 -0.718 2.933 1.00 . A A . 6 ASP OD2 1 1 14 1492 1 1 8 PHE C C -0.306 1.035 5.664 1.00 . A A . 7 PHE C 1 1 14 1493 1 1 8 PHE CA C 1.129 0.493 5.542 1.00 . A A . 7 PHE CA 1 1 14 1494 1 1 8 PHE CB C 2.073 1.237 6.512 1.00 . A A . 7 PHE CB 1 1 14 1495 1 1 8 PHE CD1 C 2.590 3.271 5.077 1.00 . A A . 7 PHE CD1 1 1 14 1496 1 1 8 PHE CD2 C 1.614 3.612 7.217 1.00 . A A . 7 PHE CD2 1 1 14 1497 1 1 8 PHE CE1 C 2.612 4.634 4.866 1.00 . A A . 7 PHE CE1 1 1 14 1498 1 1 8 PHE CE2 C 1.632 4.976 7.014 1.00 . A A . 7 PHE CE2 1 1 14 1499 1 1 8 PHE CG C 2.093 2.751 6.253 1.00 . A A . 7 PHE CG 1 1 14 1500 1 1 8 PHE CZ C 2.133 5.490 5.836 1.00 . A A . 7 PHE CZ 1 1 14 1501 1 1 8 PHE H H 1.737 1.520 3.774 1.00 . A A . 7 PHE H 1 1 14 1502 1 1 8 PHE HA H 1.133 -0.538 5.795 1.00 . A A . 7 PHE HA 1 1 14 1503 1 1 8 PHE HB2 H 1.753 1.056 7.528 1.00 . A A . 7 PHE HB2 1 1 14 1504 1 1 8 PHE HB3 H 3.077 0.855 6.397 1.00 . A A . 7 PHE HB3 1 1 14 1505 1 1 8 PHE HD1 H 2.954 2.597 4.317 1.00 . A A . 7 PHE HD1 1 1 14 1506 1 1 8 PHE HD2 H 1.218 3.200 8.134 1.00 . A A . 7 PHE HD2 1 1 14 1507 1 1 8 PHE HE1 H 3.005 5.029 3.941 1.00 . A A . 7 PHE HE1 1 1 14 1508 1 1 8 PHE HE2 H 1.253 5.639 7.776 1.00 . A A . 7 PHE HE2 1 1 14 1509 1 1 8 PHE HZ H 2.150 6.557 5.674 1.00 . A A . 7 PHE HZ 1 1 14 1510 1 1 8 PHE N N 1.666 0.633 4.165 1.00 . A A . 7 PHE N 1 1 14 1511 1 1 8 PHE O O -0.813 1.489 4.651 1.00 . A A . 7 PHE O 1 1 14 1512 1 1 8 PHE OXT O -0.823 0.964 6.765 1.00 . A A . 7 PHE OXT 1 1 15 1513 1 1 2 PHE C C -4.082 -2.221 0.639 1.00 . A A . 1 PHE C 1 1 15 1514 1 1 2 PHE CA C -4.507 -3.666 0.872 1.00 . A A . 1 PHE CA 1 1 15 1515 1 1 2 PHE CB C -3.762 -4.349 2.083 1.00 . A A . 1 PHE CB 1 1 15 1516 1 1 2 PHE CD1 C -1.841 -5.409 0.787 1.00 . A A . 1 PHE CD1 1 1 15 1517 1 1 2 PHE CD2 C -1.308 -4.044 2.650 1.00 . A A . 1 PHE CD2 1 1 15 1518 1 1 2 PHE CE1 C -0.502 -5.642 0.566 1.00 . A A . 1 PHE CE1 1 1 15 1519 1 1 2 PHE CE2 C 0.035 -4.270 2.436 1.00 . A A . 1 PHE CE2 1 1 15 1520 1 1 2 PHE CG C -2.260 -4.610 1.829 1.00 . A A . 1 PHE CG 1 1 15 1521 1 1 2 PHE CZ C 0.440 -5.071 1.392 1.00 . A A . 1 PHE CZ 1 1 15 1522 1 1 2 PHE H H -3.293 -4.404 -0.687 1.00 . A A . 1 PHE H 1 1 15 1523 1 1 2 PHE HA H -5.551 -3.704 1.038 1.00 . A A . 1 PHE HA 1 1 15 1524 1 1 2 PHE HB2 H -3.861 -3.719 2.956 1.00 . A A . 1 PHE HB2 1 1 15 1525 1 1 2 PHE HB3 H -4.236 -5.295 2.302 1.00 . A A . 1 PHE HB3 1 1 15 1526 1 1 2 PHE HD1 H -2.574 -5.849 0.130 1.00 . A A . 1 PHE HD1 1 1 15 1527 1 1 2 PHE HD2 H -1.620 -3.409 3.465 1.00 . A A . 1 PHE HD2 1 1 15 1528 1 1 2 PHE HE1 H -0.198 -6.272 -0.257 1.00 . A A . 1 PHE HE1 1 1 15 1529 1 1 2 PHE HE2 H 0.769 -3.817 3.088 1.00 . A A . 1 PHE HE2 1 1 15 1530 1 1 2 PHE HZ H 1.494 -5.248 1.225 1.00 . A A . 1 PHE HZ 1 1 15 1531 1 1 2 PHE N N -4.203 -4.443 -0.340 1.00 . A A . 1 PHE N 1 1 15 1532 1 1 2 PHE O O -4.844 -1.440 0.106 1.00 . A A . 1 PHE O 1 1 15 1533 1 1 3 THR C C -1.105 -0.520 -0.042 1.00 . A A . 2 THR C 1 1 15 1534 1 1 3 THR CA C -2.307 -0.566 0.891 1.00 . A A . 2 THR CA 1 1 15 1535 1 1 3 THR CB C -1.951 -0.104 2.296 1.00 . A A . 2 THR CB 1 1 15 1536 1 1 3 THR CG2 C -3.198 -0.209 3.147 1.00 . A A . 2 THR CG2 1 1 15 1537 1 1 3 THR H H -2.345 -2.593 1.472 1.00 . A A . 2 THR H 1 1 15 1538 1 1 3 THR HA H -3.063 0.097 0.500 1.00 . A A . 2 THR HA 1 1 15 1539 1 1 3 THR HB H -1.465 0.856 2.304 1.00 . A A . 2 THR HB 1 1 15 1540 1 1 3 THR HG1 H -0.419 -0.669 3.355 1.00 . A A . 2 THR HG1 1 1 15 1541 1 1 3 THR HG21 H -3.521 -1.246 3.135 1.00 . A A . 2 THR HG21 1 1 15 1542 1 1 3 THR HG22 H -3.002 0.113 4.155 1.00 . A A . 2 THR HG22 1 1 15 1543 1 1 3 THR HG23 H -3.962 0.417 2.711 1.00 . A A . 2 THR HG23 1 1 15 1544 1 1 3 THR N N -2.885 -1.919 1.039 1.00 . A A . 2 THR N 1 1 15 1545 1 1 3 THR O O -0.012 -0.160 0.352 1.00 . A A . 2 THR O 1 1 15 1546 1 1 3 THR OG1 O -1.092 -1.108 2.821 1.00 . A A . 2 THR OG1 1 1 15 1547 1 1 4 LEU C C -0.229 0.556 -2.897 1.00 . A A . 3 LEU C 1 1 15 1548 1 1 4 LEU CA C -0.197 -0.853 -2.269 1.00 . A A . 3 LEU CA 1 1 15 1549 1 1 4 LEU CB C -0.417 -1.932 -3.359 1.00 . A A . 3 LEU CB 1 1 15 1550 1 1 4 LEU CD1 C 0.875 -3.650 -1.971 1.00 . A A . 3 LEU CD1 1 1 15 1551 1 1 4 LEU CD2 C -1.644 -3.699 -1.954 1.00 . A A . 3 LEU CD2 1 1 15 1552 1 1 4 LEU CG C -0.400 -3.395 -2.811 1.00 . A A . 3 LEU CG 1 1 15 1553 1 1 4 LEU H H -2.225 -1.181 -1.531 1.00 . A A . 3 LEU H 1 1 15 1554 1 1 4 LEU HA H 0.750 -0.987 -1.766 1.00 . A A . 3 LEU HA 1 1 15 1555 1 1 4 LEU HB2 H -1.361 -1.743 -3.852 1.00 . A A . 3 LEU HB2 1 1 15 1556 1 1 4 LEU HB3 H 0.362 -1.831 -4.102 1.00 . A A . 3 LEU HB3 1 1 15 1557 1 1 4 LEU HD11 H 1.758 -3.474 -2.567 1.00 . A A . 3 LEU HD11 1 1 15 1558 1 1 4 LEU HD12 H 0.904 -3.003 -1.105 1.00 . A A . 3 LEU HD12 1 1 15 1559 1 1 4 LEU HD13 H 0.895 -4.674 -1.628 1.00 . A A . 3 LEU HD13 1 1 15 1560 1 1 4 LEU HD21 H -2.543 -3.515 -2.522 1.00 . A A . 3 LEU HD21 1 1 15 1561 1 1 4 LEU HD22 H -1.627 -4.739 -1.666 1.00 . A A . 3 LEU HD22 1 1 15 1562 1 1 4 LEU HD23 H -1.667 -3.103 -1.053 1.00 . A A . 3 LEU HD23 1 1 15 1563 1 1 4 LEU HG H -0.393 -4.071 -3.654 1.00 . A A . 3 LEU HG 1 1 15 1564 1 1 4 LEU N N -1.325 -0.883 -1.277 1.00 . A A . 3 LEU N 1 1 15 1565 1 1 4 LEU O O -0.059 0.766 -4.083 1.00 . A A . 3 LEU O 1 1 15 1566 1 1 5 ASP C C 0.328 3.594 -1.137 1.00 . A A . 4 ASP C 1 1 15 1567 1 1 5 ASP CA C -0.561 2.929 -2.187 1.00 . A A . 4 ASP CA 1 1 15 1568 1 1 5 ASP CB C -2.054 3.327 -2.031 1.00 . A A . 4 ASP CB 1 1 15 1569 1 1 5 ASP CG C -2.730 2.487 -0.930 1.00 . A A . 4 ASP CG 1 1 15 1570 1 1 5 ASP H H -0.569 1.153 -1.077 1.00 . A A . 4 ASP H 1 1 15 1571 1 1 5 ASP HA H -0.185 3.174 -3.158 1.00 . A A . 4 ASP HA 1 1 15 1572 1 1 5 ASP HB2 H -2.132 4.372 -1.766 1.00 . A A . 4 ASP HB2 1 1 15 1573 1 1 5 ASP HB3 H -2.571 3.174 -2.968 1.00 . A A . 4 ASP HB3 1 1 15 1574 1 1 5 ASP N N -0.455 1.463 -1.989 1.00 . A A . 4 ASP N 1 1 15 1575 1 1 5 ASP O O 1.055 4.527 -1.420 1.00 . A A . 4 ASP O 1 1 15 1576 1 1 5 ASP OD1 O -2.441 2.722 0.232 1.00 . A A . 4 ASP OD1 1 1 15 1577 1 1 5 ASP OD2 O -3.503 1.632 -1.321 1.00 . A A . 4 ASP OD2 1 1 15 1578 1 1 6 ALA C C 2.189 2.646 1.462 1.00 . A A . 5 ALA C 1 1 15 1579 1 1 6 ALA CA C 1.012 3.574 1.220 1.00 . A A . 5 ALA CA 1 1 15 1580 1 1 6 ALA CB C 0.155 3.580 2.486 1.00 . A A . 5 ALA CB 1 1 15 1581 1 1 6 ALA H H -0.400 2.325 0.179 1.00 . A A . 5 ALA H 1 1 15 1582 1 1 6 ALA HA H 1.382 4.562 1.010 1.00 . A A . 5 ALA HA 1 1 15 1583 1 1 6 ALA HB1 H -0.193 2.577 2.696 1.00 . A A . 5 ALA HB1 1 1 15 1584 1 1 6 ALA HB2 H 0.752 3.891 3.329 1.00 . A A . 5 ALA HB2 1 1 15 1585 1 1 6 ALA HB3 H -0.698 4.232 2.380 1.00 . A A . 5 ALA HB3 1 1 15 1586 1 1 6 ALA N N 0.226 3.071 0.055 1.00 . A A . 5 ALA N 1 1 15 1587 1 1 6 ALA O O 3.320 3.081 1.531 1.00 . A A . 5 ALA O 1 1 15 1588 1 1 7 ASP C C 2.091 -0.422 3.099 1.00 . A A . 6 ASP C 1 1 15 1589 1 1 7 ASP CA C 2.661 0.198 1.826 1.00 . A A . 6 ASP CA 1 1 15 1590 1 1 7 ASP CB C 4.159 0.567 2.073 1.00 . A A . 6 ASP CB 1 1 15 1591 1 1 7 ASP CG C 4.990 -0.695 2.361 1.00 . A A . 6 ASP CG 1 1 15 1592 1 1 7 ASP H H 0.841 1.258 1.487 1.00 . A A . 6 ASP H 1 1 15 1593 1 1 7 ASP HA H 2.546 -0.495 1.016 1.00 . A A . 6 ASP HA 1 1 15 1594 1 1 7 ASP HB2 H 4.564 1.057 1.200 1.00 . A A . 6 ASP HB2 1 1 15 1595 1 1 7 ASP HB3 H 4.242 1.235 2.918 1.00 . A A . 6 ASP HB3 1 1 15 1596 1 1 7 ASP N N 1.802 1.405 1.575 1.00 . A A . 6 ASP N 1 1 15 1597 1 1 7 ASP O O 2.076 -1.623 3.280 1.00 . A A . 6 ASP O 1 1 15 1598 1 1 7 ASP OD1 O 4.951 -1.134 3.498 1.00 . A A . 6 ASP OD1 1 1 15 1599 1 1 7 ASP OD2 O 5.618 -1.151 1.419 1.00 . A A . 6 ASP OD2 1 1 15 1600 1 1 8 PHE C C -0.440 0.550 5.327 1.00 . A A . 7 PHE C 1 1 15 1601 1 1 8 PHE CA C 1.029 0.122 5.238 1.00 . A A . 7 PHE CA 1 1 15 1602 1 1 8 PHE CB C 1.854 0.788 6.363 1.00 . A A . 7 PHE CB 1 1 15 1603 1 1 8 PHE CD1 C 2.316 3.028 5.238 1.00 . A A . 7 PHE CD1 1 1 15 1604 1 1 8 PHE CD2 C 1.274 3.020 7.375 1.00 . A A . 7 PHE CD2 1 1 15 1605 1 1 8 PHE CE1 C 2.280 4.407 5.224 1.00 . A A . 7 PHE CE1 1 1 15 1606 1 1 8 PHE CE2 C 1.235 4.399 7.366 1.00 . A A . 7 PHE CE2 1 1 15 1607 1 1 8 PHE CG C 1.814 2.325 6.315 1.00 . A A . 7 PHE CG 1 1 15 1608 1 1 8 PHE CZ C 1.740 5.095 6.289 1.00 . A A . 7 PHE CZ 1 1 15 1609 1 1 8 PHE H H 1.675 1.406 3.663 1.00 . A A . 7 PHE H 1 1 15 1610 1 1 8 PHE HA H 1.104 -0.931 5.357 1.00 . A A . 7 PHE HA 1 1 15 1611 1 1 8 PHE HB2 H 1.473 0.455 7.316 1.00 . A A . 7 PHE HB2 1 1 15 1612 1 1 8 PHE HB3 H 2.884 0.471 6.281 1.00 . A A . 7 PHE HB3 1 1 15 1613 1 1 8 PHE HD1 H 2.729 2.489 4.401 1.00 . A A . 7 PHE HD1 1 1 15 1614 1 1 8 PHE HD2 H 0.875 2.468 8.213 1.00 . A A . 7 PHE HD2 1 1 15 1615 1 1 8 PHE HE1 H 2.679 4.946 4.377 1.00 . A A . 7 PHE HE1 1 1 15 1616 1 1 8 PHE HE2 H 0.808 4.931 8.202 1.00 . A A . 7 PHE HE2 1 1 15 1617 1 1 8 PHE HZ H 1.711 6.174 6.279 1.00 . A A . 7 PHE HZ 1 1 15 1618 1 1 8 PHE N N 1.628 0.472 3.930 1.00 . A A . 7 PHE N 1 1 15 1619 1 1 8 PHE O O -1.201 -0.267 5.817 1.00 . A A . 7 PHE O 1 1 15 1620 1 1 8 PHE OXT O -0.721 1.658 4.907 1.00 . A A . 7 PHE OXT 1 1 16 1621 1 1 2 PHE C C -4.063 -2.303 0.655 1.00 . A A . 1 PHE C 1 1 16 1622 1 1 2 PHE CA C -4.466 -3.753 0.885 1.00 . A A . 1 PHE CA 1 1 16 1623 1 1 2 PHE CB C -3.678 -4.446 2.063 1.00 . A A . 1 PHE CB 1 1 16 1624 1 1 2 PHE CD1 C -1.771 -5.437 0.694 1.00 . A A . 1 PHE CD1 1 1 16 1625 1 1 2 PHE CD2 C -1.219 -4.102 2.574 1.00 . A A . 1 PHE CD2 1 1 16 1626 1 1 2 PHE CE1 C -0.434 -5.636 0.436 1.00 . A A . 1 PHE CE1 1 1 16 1627 1 1 2 PHE CE2 C 0.121 -4.295 2.322 1.00 . A A . 1 PHE CE2 1 1 16 1628 1 1 2 PHE CG C -2.179 -4.670 1.764 1.00 . A A . 1 PHE CG 1 1 16 1629 1 1 2 PHE CZ C 0.517 -5.064 1.251 1.00 . A A . 1 PHE CZ 1 1 16 1630 1 1 2 PHE H H -3.286 -4.445 -0.716 1.00 . A A . 1 PHE H 1 1 16 1631 1 1 2 PHE HA H -5.505 -3.805 1.079 1.00 . A A . 1 PHE HA 1 1 16 1632 1 1 2 PHE HB2 H -3.768 -3.834 2.950 1.00 . A A . 1 PHE HB2 1 1 16 1633 1 1 2 PHE HB3 H -4.129 -5.405 2.272 1.00 . A A . 1 PHE HB3 1 1 16 1634 1 1 2 PHE HD1 H -2.511 -5.877 0.047 1.00 . A A . 1 PHE HD1 1 1 16 1635 1 1 2 PHE HD2 H -1.525 -3.491 3.410 1.00 . A A . 1 PHE HD2 1 1 16 1636 1 1 2 PHE HE1 H -0.140 -6.242 -0.409 1.00 . A A . 1 PHE HE1 1 1 16 1637 1 1 2 PHE HE2 H 0.860 -3.841 2.967 1.00 . A A . 1 PHE HE2 1 1 16 1638 1 1 2 PHE HZ H 1.569 -5.216 1.054 1.00 . A A . 1 PHE HZ 1 1 16 1639 1 1 2 PHE N N -4.187 -4.503 -0.348 1.00 . A A . 1 PHE N 1 1 16 1640 1 1 2 PHE O O -4.840 -1.528 0.132 1.00 . A A . 1 PHE O 1 1 16 1641 1 1 3 THR C C -1.135 -0.533 -0.056 1.00 . A A . 2 THR C 1 1 16 1642 1 1 3 THR CA C -2.319 -0.620 0.895 1.00 . A A . 2 THR CA 1 1 16 1643 1 1 3 THR CB C -1.940 -0.153 2.288 1.00 . A A . 2 THR CB 1 1 16 1644 1 1 3 THR CG2 C -3.155 -0.280 3.169 1.00 . A A . 2 THR CG2 1 1 16 1645 1 1 3 THR H H -2.310 -2.648 1.470 1.00 . A A . 2 THR H 1 1 16 1646 1 1 3 THR HA H -3.100 0.022 0.516 1.00 . A A . 2 THR HA 1 1 16 1647 1 1 3 THR HB H -1.478 0.820 2.274 1.00 . A A . 2 THR HB 1 1 16 1648 1 1 3 THR HG1 H -0.352 -0.662 3.280 1.00 . A A . 2 THR HG1 1 1 16 1649 1 1 3 THR HG21 H -3.472 -1.318 3.147 1.00 . A A . 2 THR HG21 1 1 16 1650 1 1 3 THR HG22 H -2.923 0.028 4.175 1.00 . A A . 2 THR HG22 1 1 16 1651 1 1 3 THR HG23 H -3.927 0.354 2.761 1.00 . A A . 2 THR HG23 1 1 16 1652 1 1 3 THR N N -2.867 -1.983 1.045 1.00 . A A . 2 THR N 1 1 16 1653 1 1 3 THR O O -0.041 -0.164 0.324 1.00 . A A . 2 THR O 1 1 16 1654 1 1 3 THR OG1 O -1.047 -1.130 2.803 1.00 . A A . 2 THR OG1 1 1 16 1655 1 1 4 LEU C C -0.255 0.622 -2.874 1.00 . A A . 3 LEU C 1 1 16 1656 1 1 4 LEU CA C -0.263 -0.807 -2.292 1.00 . A A . 3 LEU CA 1 1 16 1657 1 1 4 LEU CB C -0.511 -1.849 -3.416 1.00 . A A . 3 LEU CB 1 1 16 1658 1 1 4 LEU CD1 C 0.825 -3.609 -2.123 1.00 . A A . 3 LEU CD1 1 1 16 1659 1 1 4 LEU CD2 C -1.691 -3.665 -2.024 1.00 . A A . 3 LEU CD2 1 1 16 1660 1 1 4 LEU CG C -0.477 -3.330 -2.913 1.00 . A A . 3 LEU CG 1 1 16 1661 1 1 4 LEU H H -2.273 -1.184 -1.536 1.00 . A A . 3 LEU H 1 1 16 1662 1 1 4 LEU HA H 0.685 -0.980 -1.807 1.00 . A A . 3 LEU HA 1 1 16 1663 1 1 4 LEU HB2 H -1.465 -1.645 -3.881 1.00 . A A . 3 LEU HB2 1 1 16 1664 1 1 4 LEU HB3 H 0.252 -1.723 -4.173 1.00 . A A . 3 LEU HB3 1 1 16 1665 1 1 4 LEU HD11 H 1.689 -3.409 -2.741 1.00 . A A . 3 LEU HD11 1 1 16 1666 1 1 4 LEU HD12 H 0.881 -2.991 -1.237 1.00 . A A . 3 LEU HD12 1 1 16 1667 1 1 4 LEU HD13 H 0.861 -4.643 -1.816 1.00 . A A . 3 LEU HD13 1 1 16 1668 1 1 4 LEU HD21 H -2.610 -3.469 -2.555 1.00 . A A . 3 LEU HD21 1 1 16 1669 1 1 4 LEU HD22 H -1.662 -4.713 -1.765 1.00 . A A . 3 LEU HD22 1 1 16 1670 1 1 4 LEU HD23 H -1.685 -3.096 -1.106 1.00 . A A . 3 LEU HD23 1 1 16 1671 1 1 4 LEU HG H -0.495 -3.981 -3.776 1.00 . A A . 3 LEU HG 1 1 16 1672 1 1 4 LEU N N -1.375 -0.876 -1.291 1.00 . A A . 3 LEU N 1 1 16 1673 1 1 4 LEU O O -0.052 0.851 -4.051 1.00 . A A . 3 LEU O 1 1 16 1674 1 1 5 ASP C C 0.400 3.616 -1.157 1.00 . A A . 4 ASP C 1 1 16 1675 1 1 5 ASP CA C -0.536 2.996 -2.197 1.00 . A A . 4 ASP CA 1 1 16 1676 1 1 5 ASP CB C -1.987 3.521 -2.007 1.00 . A A . 4 ASP CB 1 1 16 1677 1 1 5 ASP CG C -2.452 3.362 -0.550 1.00 . A A . 4 ASP CG 1 1 16 1678 1 1 5 ASP H H -0.638 1.226 -1.049 1.00 . A A . 4 ASP H 1 1 16 1679 1 1 5 ASP HA H -0.153 3.208 -3.172 1.00 . A A . 4 ASP HA 1 1 16 1680 1 1 5 ASP HB2 H -2.026 4.567 -2.280 1.00 . A A . 4 ASP HB2 1 1 16 1681 1 1 5 ASP HB3 H -2.664 2.976 -2.647 1.00 . A A . 4 ASP HB3 1 1 16 1682 1 1 5 ASP N N -0.485 1.528 -1.961 1.00 . A A . 4 ASP N 1 1 16 1683 1 1 5 ASP O O 1.201 4.480 -1.456 1.00 . A A . 4 ASP O 1 1 16 1684 1 1 5 ASP OD1 O -2.510 2.221 -0.125 1.00 . A A . 4 ASP OD1 1 1 16 1685 1 1 5 ASP OD2 O -2.717 4.382 0.059 1.00 . A A . 4 ASP OD2 1 1 16 1686 1 1 6 ALA C C 2.210 2.629 1.444 1.00 . A A . 5 ALA C 1 1 16 1687 1 1 6 ALA CA C 1.069 3.600 1.204 1.00 . A A . 5 ALA CA 1 1 16 1688 1 1 6 ALA CB C 0.222 3.650 2.471 1.00 . A A . 5 ALA CB 1 1 16 1689 1 1 6 ALA H H -0.433 2.436 0.189 1.00 . A A . 5 ALA H 1 1 16 1690 1 1 6 ALA HA H 1.475 4.572 0.986 1.00 . A A . 5 ALA HA 1 1 16 1691 1 1 6 ALA HB1 H -0.174 2.665 2.668 1.00 . A A . 5 ALA HB1 1 1 16 1692 1 1 6 ALA HB2 H 0.838 3.925 3.316 1.00 . A A . 5 ALA HB2 1 1 16 1693 1 1 6 ALA HB3 H -0.597 4.344 2.370 1.00 . A A . 5 ALA HB3 1 1 16 1694 1 1 6 ALA N N 0.249 3.129 0.049 1.00 . A A . 5 ALA N 1 1 16 1695 1 1 6 ALA O O 3.355 3.024 1.514 1.00 . A A . 5 ALA O 1 1 16 1696 1 1 7 ASP C C 2.032 -0.425 3.092 1.00 . A A . 6 ASP C 1 1 16 1697 1 1 7 ASP CA C 2.596 0.167 1.804 1.00 . A A . 6 ASP CA 1 1 16 1698 1 1 7 ASP CB C 4.111 0.483 2.017 1.00 . A A . 6 ASP CB 1 1 16 1699 1 1 7 ASP CG C 4.904 -0.808 2.285 1.00 . A A . 6 ASP CG 1 1 16 1700 1 1 7 ASP H H 0.812 1.288 1.468 1.00 . A A . 6 ASP H 1 1 16 1701 1 1 7 ASP HA H 2.442 -0.526 1.003 1.00 . A A . 6 ASP HA 1 1 16 1702 1 1 7 ASP HB2 H 4.513 0.959 1.134 1.00 . A A . 6 ASP HB2 1 1 16 1703 1 1 7 ASP HB3 H 4.239 1.147 2.860 1.00 . A A . 6 ASP HB3 1 1 16 1704 1 1 7 ASP N N 1.779 1.402 1.556 1.00 . A A . 6 ASP N 1 1 16 1705 1 1 7 ASP O O 1.990 -1.625 3.283 1.00 . A A . 6 ASP O 1 1 16 1706 1 1 7 ASP OD1 O 4.881 -1.243 3.426 1.00 . A A . 6 ASP OD1 1 1 16 1707 1 1 7 ASP OD2 O 5.488 -1.289 1.328 1.00 . A A . 6 ASP OD2 1 1 16 1708 1 1 8 PHE C C -0.412 0.679 5.429 1.00 . A A . 7 PHE C 1 1 16 1709 1 1 8 PHE CA C 1.017 0.148 5.249 1.00 . A A . 7 PHE CA 1 1 16 1710 1 1 8 PHE CB C 1.932 0.720 6.342 1.00 . A A . 7 PHE CB 1 1 16 1711 1 1 8 PHE CD1 C 2.388 2.983 5.254 1.00 . A A . 7 PHE CD1 1 1 16 1712 1 1 8 PHE CD2 C 1.439 2.935 7.434 1.00 . A A . 7 PHE CD2 1 1 16 1713 1 1 8 PHE CE1 C 2.375 4.362 5.277 1.00 . A A . 7 PHE CE1 1 1 16 1714 1 1 8 PHE CE2 C 1.423 4.314 7.462 1.00 . A A . 7 PHE CE2 1 1 16 1715 1 1 8 PHE CG C 1.921 2.258 6.334 1.00 . A A . 7 PHE CG 1 1 16 1716 1 1 8 PHE CZ C 1.892 5.030 6.381 1.00 . A A . 7 PHE CZ 1 1 16 1717 1 1 8 PHE H H 1.666 1.414 3.654 1.00 . A A . 7 PHE H 1 1 16 1718 1 1 8 PHE HA H 1.003 -0.909 5.339 1.00 . A A . 7 PHE HA 1 1 16 1719 1 1 8 PHE HB2 H 1.598 0.366 7.307 1.00 . A A . 7 PHE HB2 1 1 16 1720 1 1 8 PHE HB3 H 2.944 0.380 6.182 1.00 . A A . 7 PHE HB3 1 1 16 1721 1 1 8 PHE HD1 H 2.757 2.462 4.383 1.00 . A A . 7 PHE HD1 1 1 16 1722 1 1 8 PHE HD2 H 1.068 2.366 8.272 1.00 . A A . 7 PHE HD2 1 1 16 1723 1 1 8 PHE HE1 H 2.744 4.919 4.428 1.00 . A A . 7 PHE HE1 1 1 16 1724 1 1 8 PHE HE2 H 1.042 4.830 8.330 1.00 . A A . 7 PHE HE2 1 1 16 1725 1 1 8 PHE HZ H 1.881 6.109 6.401 1.00 . A A . 7 PHE HZ 1 1 16 1726 1 1 8 PHE N N 1.603 0.483 3.926 1.00 . A A . 7 PHE N 1 1 16 1727 1 1 8 PHE O O -0.804 1.489 4.610 1.00 . A A . 7 PHE O 1 1 16 1728 1 1 8 PHE OXT O -1.035 0.247 6.384 1.00 . A A . 7 PHE OXT 1 1 17 1729 1 1 2 PHE C C -4.104 -2.252 0.648 1.00 . A A . 1 PHE C 1 1 17 1730 1 1 2 PHE CA C -4.522 -3.694 0.909 1.00 . A A . 1 PHE CA 1 1 17 1731 1 1 2 PHE CB C -3.760 -4.366 2.119 1.00 . A A . 1 PHE CB 1 1 17 1732 1 1 2 PHE CD1 C -1.828 -5.385 0.809 1.00 . A A . 1 PHE CD1 1 1 17 1733 1 1 2 PHE CD2 C -1.312 -4.016 2.675 1.00 . A A . 1 PHE CD2 1 1 17 1734 1 1 2 PHE CE1 C -0.486 -5.590 0.579 1.00 . A A . 1 PHE CE1 1 1 17 1735 1 1 2 PHE CE2 C 0.033 -4.215 2.454 1.00 . A A . 1 PHE CE2 1 1 17 1736 1 1 2 PHE CG C -2.256 -4.599 1.856 1.00 . A A . 1 PHE CG 1 1 17 1737 1 1 2 PHE CZ C 0.450 -5.003 1.404 1.00 . A A . 1 PHE CZ 1 1 17 1738 1 1 2 PHE H H -3.318 -4.424 -0.656 1.00 . A A . 1 PHE H 1 1 17 1739 1 1 2 PHE HA H -5.565 -3.735 1.083 1.00 . A A . 1 PHE HA 1 1 17 1740 1 1 2 PHE HB2 H -3.867 -3.737 2.991 1.00 . A A . 1 PHE HB2 1 1 17 1741 1 1 2 PHE HB3 H -4.218 -5.319 2.339 1.00 . A A . 1 PHE HB3 1 1 17 1742 1 1 2 PHE HD1 H -2.555 -5.837 0.156 1.00 . A A . 1 PHE HD1 1 1 17 1743 1 1 2 PHE HD2 H -1.634 -3.392 3.495 1.00 . A A . 1 PHE HD2 1 1 17 1744 1 1 2 PHE HE1 H -0.176 -6.210 -0.249 1.00 . A A . 1 PHE HE1 1 1 17 1745 1 1 2 PHE HE2 H 0.759 -3.749 3.104 1.00 . A A . 1 PHE HE2 1 1 17 1746 1 1 2 PHE HZ H 1.505 -5.158 1.229 1.00 . A A . 1 PHE HZ 1 1 17 1747 1 1 2 PHE N N -4.223 -4.477 -0.299 1.00 . A A . 1 PHE N 1 1 17 1748 1 1 2 PHE O O -4.861 -1.489 0.083 1.00 . A A . 1 PHE O 1 1 17 1749 1 1 3 THR C C -1.145 -0.526 -0.038 1.00 . A A . 2 THR C 1 1 17 1750 1 1 3 THR CA C -2.348 -0.576 0.890 1.00 . A A . 2 THR CA 1 1 17 1751 1 1 3 THR CB C -1.994 -0.087 2.282 1.00 . A A . 2 THR CB 1 1 17 1752 1 1 3 THR CG2 C -3.240 -0.170 3.127 1.00 . A A . 2 THR CG2 1 1 17 1753 1 1 3 THR H H -2.376 -2.586 1.519 1.00 . A A . 2 THR H 1 1 17 1754 1 1 3 THR HA H -3.110 0.071 0.479 1.00 . A A . 2 THR HA 1 1 17 1755 1 1 3 THR HB H -1.503 0.871 2.270 1.00 . A A . 2 THR HB 1 1 17 1756 1 1 3 THR HG1 H -0.457 -0.641 3.338 1.00 . A A . 2 THR HG1 1 1 17 1757 1 1 3 THR HG21 H -3.567 -1.205 3.132 1.00 . A A . 2 THR HG21 1 1 17 1758 1 1 3 THR HG22 H -3.041 0.171 4.128 1.00 . A A . 2 THR HG22 1 1 17 1759 1 1 3 THR HG23 H -3.994 0.454 2.674 1.00 . A A . 2 THR HG23 1 1 17 1760 1 1 3 THR N N -2.916 -1.929 1.061 1.00 . A A . 2 THR N 1 1 17 1761 1 1 3 THR O O -0.052 -0.167 0.355 1.00 . A A . 2 THR O 1 1 17 1762 1 1 3 THR OG1 O -1.141 -1.086 2.824 1.00 . A A . 2 THR OG1 1 1 17 1763 1 1 4 LEU C C -0.186 0.569 -2.848 1.00 . A A . 3 LEU C 1 1 17 1764 1 1 4 LEU CA C -0.243 -0.856 -2.255 1.00 . A A . 3 LEU CA 1 1 17 1765 1 1 4 LEU CB C -0.501 -1.900 -3.373 1.00 . A A . 3 LEU CB 1 1 17 1766 1 1 4 LEU CD1 C 0.815 -3.686 -2.095 1.00 . A A . 3 LEU CD1 1 1 17 1767 1 1 4 LEU CD2 C -1.695 -3.671 -1.935 1.00 . A A . 3 LEU CD2 1 1 17 1768 1 1 4 LEU CG C -0.497 -3.377 -2.860 1.00 . A A . 3 LEU CG 1 1 17 1769 1 1 4 LEU H H -2.269 -1.185 -1.526 1.00 . A A . 3 LEU H 1 1 17 1770 1 1 4 LEU HA H 0.693 -1.049 -1.752 1.00 . A A . 3 LEU HA 1 1 17 1771 1 1 4 LEU HB2 H -1.450 -1.683 -3.844 1.00 . A A . 3 LEU HB2 1 1 17 1772 1 1 4 LEU HB3 H 0.267 -1.792 -4.127 1.00 . A A . 3 LEU HB3 1 1 17 1773 1 1 4 LEU HD11 H 1.670 -3.516 -2.733 1.00 . A A . 3 LEU HD11 1 1 17 1774 1 1 4 LEU HD12 H 0.906 -3.060 -1.217 1.00 . A A . 3 LEU HD12 1 1 17 1775 1 1 4 LEU HD13 H 0.826 -4.717 -1.776 1.00 . A A . 3 LEU HD13 1 1 17 1776 1 1 4 LEU HD21 H -2.623 -3.451 -2.441 1.00 . A A . 3 LEU HD21 1 1 17 1777 1 1 4 LEU HD22 H -1.687 -4.718 -1.672 1.00 . A A . 3 LEU HD22 1 1 17 1778 1 1 4 LEU HD23 H -1.647 -3.098 -1.019 1.00 . A A . 3 LEU HD23 1 1 17 1779 1 1 4 LEU HG H -0.554 -4.035 -3.715 1.00 . A A . 3 LEU HG 1 1 17 1780 1 1 4 LEU N N -1.371 -0.888 -1.271 1.00 . A A . 3 LEU N 1 1 17 1781 1 1 4 LEU O O 0.117 0.786 -4.005 1.00 . A A . 3 LEU O 1 1 17 1782 1 1 5 ASP C C 0.340 3.621 -1.146 1.00 . A A . 4 ASP C 1 1 17 1783 1 1 5 ASP CA C -0.531 2.951 -2.214 1.00 . A A . 4 ASP CA 1 1 17 1784 1 1 5 ASP CB C -2.002 3.478 -2.131 1.00 . A A . 4 ASP CB 1 1 17 1785 1 1 5 ASP CG C -2.759 3.151 -0.822 1.00 . A A . 4 ASP CG 1 1 17 1786 1 1 5 ASP H H -0.729 1.191 -1.073 1.00 . A A . 4 ASP H 1 1 17 1787 1 1 5 ASP HA H -0.097 3.148 -3.171 1.00 . A A . 4 ASP HA 1 1 17 1788 1 1 5 ASP HB2 H -1.986 4.551 -2.251 1.00 . A A . 4 ASP HB2 1 1 17 1789 1 1 5 ASP HB3 H -2.566 3.061 -2.952 1.00 . A A . 4 ASP HB3 1 1 17 1790 1 1 5 ASP N N -0.496 1.485 -1.969 1.00 . A A . 4 ASP N 1 1 17 1791 1 1 5 ASP O O 1.040 4.577 -1.416 1.00 . A A . 4 ASP O 1 1 17 1792 1 1 5 ASP OD1 O -2.321 2.297 -0.071 1.00 . A A . 4 ASP OD1 1 1 17 1793 1 1 5 ASP OD2 O -3.778 3.794 -0.646 1.00 . A A . 4 ASP OD2 1 1 17 1794 1 1 6 ALA C C 2.207 2.657 1.454 1.00 . A A . 5 ALA C 1 1 17 1795 1 1 6 ALA CA C 1.035 3.591 1.210 1.00 . A A . 5 ALA CA 1 1 17 1796 1 1 6 ALA CB C 0.168 3.594 2.470 1.00 . A A . 5 ALA CB 1 1 17 1797 1 1 6 ALA H H -0.337 2.314 0.167 1.00 . A A . 5 ALA H 1 1 17 1798 1 1 6 ALA HA H 1.407 4.577 1.000 1.00 . A A . 5 ALA HA 1 1 17 1799 1 1 6 ALA HB1 H -0.174 2.590 2.681 1.00 . A A . 5 ALA HB1 1 1 17 1800 1 1 6 ALA HB2 H 0.759 3.912 3.317 1.00 . A A . 5 ALA HB2 1 1 17 1801 1 1 6 ALA HB3 H -0.688 4.242 2.356 1.00 . A A . 5 ALA HB3 1 1 17 1802 1 1 6 ALA N N 0.260 3.081 0.041 1.00 . A A . 5 ALA N 1 1 17 1803 1 1 6 ALA O O 3.340 3.086 1.537 1.00 . A A . 5 ALA O 1 1 17 1804 1 1 7 ASP C C 2.101 -0.421 3.072 1.00 . A A . 6 ASP C 1 1 17 1805 1 1 7 ASP CA C 2.664 0.208 1.799 1.00 . A A . 6 ASP CA 1 1 17 1806 1 1 7 ASP CB C 4.155 0.551 2.060 1.00 . A A . 6 ASP CB 1 1 17 1807 1 1 7 ASP CG C 4.944 -0.738 2.347 1.00 . A A . 6 ASP CG 1 1 17 1808 1 1 7 ASP H H 0.851 1.274 1.454 1.00 . A A . 6 ASP H 1 1 17 1809 1 1 7 ASP HA H 2.544 -0.482 0.985 1.00 . A A . 6 ASP HA 1 1 17 1810 1 1 7 ASP HB2 H 4.584 1.025 1.189 1.00 . A A . 6 ASP HB2 1 1 17 1811 1 1 7 ASP HB3 H 4.242 1.220 2.905 1.00 . A A . 6 ASP HB3 1 1 17 1812 1 1 7 ASP N N 1.812 1.417 1.552 1.00 . A A . 6 ASP N 1 1 17 1813 1 1 7 ASP O O 2.119 -1.621 3.260 1.00 . A A . 6 ASP O 1 1 17 1814 1 1 7 ASP OD1 O 5.019 -1.543 1.432 1.00 . A A . 6 ASP OD1 1 1 17 1815 1 1 7 ASP OD2 O 5.424 -0.843 3.464 1.00 . A A . 6 ASP OD2 1 1 17 1816 1 1 8 PHE C C -0.454 0.537 5.294 1.00 . A A . 7 PHE C 1 1 17 1817 1 1 8 PHE CA C 1.012 0.102 5.202 1.00 . A A . 7 PHE CA 1 1 17 1818 1 1 8 PHE CB C 1.841 0.754 6.334 1.00 . A A . 7 PHE CB 1 1 17 1819 1 1 8 PHE CD1 C 2.304 3.003 5.234 1.00 . A A . 7 PHE CD1 1 1 17 1820 1 1 8 PHE CD2 C 1.271 2.975 7.374 1.00 . A A . 7 PHE CD2 1 1 17 1821 1 1 8 PHE CE1 C 2.273 4.383 5.235 1.00 . A A . 7 PHE CE1 1 1 17 1822 1 1 8 PHE CE2 C 1.237 4.354 7.381 1.00 . A A . 7 PHE CE2 1 1 17 1823 1 1 8 PHE CG C 1.804 2.290 6.304 1.00 . A A . 7 PHE CG 1 1 17 1824 1 1 8 PHE CZ C 1.740 5.060 6.309 1.00 . A A . 7 PHE CZ 1 1 17 1825 1 1 8 PHE H H 1.636 1.399 3.630 1.00 . A A . 7 PHE H 1 1 17 1826 1 1 8 PHE HA H 1.080 -0.952 5.309 1.00 . A A . 7 PHE HA 1 1 17 1827 1 1 8 PHE HB2 H 1.458 0.410 7.284 1.00 . A A . 7 PHE HB2 1 1 17 1828 1 1 8 PHE HB3 H 2.869 0.435 6.248 1.00 . A A . 7 PHE HB3 1 1 17 1829 1 1 8 PHE HD1 H 2.711 2.472 4.388 1.00 . A A . 7 PHE HD1 1 1 17 1830 1 1 8 PHE HD2 H 0.874 2.415 8.209 1.00 . A A . 7 PHE HD2 1 1 17 1831 1 1 8 PHE HE1 H 2.669 4.930 4.391 1.00 . A A . 7 PHE HE1 1 1 17 1832 1 1 8 PHE HE2 H 0.815 4.879 8.225 1.00 . A A . 7 PHE HE2 1 1 17 1833 1 1 8 PHE HZ H 1.714 6.140 6.312 1.00 . A A . 7 PHE HZ 1 1 17 1834 1 1 8 PHE N N 1.611 0.464 3.896 1.00 . A A . 7 PHE N 1 1 17 1835 1 1 8 PHE O O -1.219 -0.278 5.777 1.00 . A A . 7 PHE O 1 1 17 1836 1 1 8 PHE OXT O -0.729 1.650 4.880 1.00 . A A . 7 PHE OXT 1 1 18 1837 1 1 2 PHE C C -4.038 -2.300 0.605 1.00 . A A . 1 PHE C 1 1 18 1838 1 1 2 PHE CA C -4.417 -3.758 0.833 1.00 . A A . 1 PHE CA 1 1 18 1839 1 1 2 PHE CB C -3.602 -4.444 1.996 1.00 . A A . 1 PHE CB 1 1 18 1840 1 1 2 PHE CD1 C -1.714 -5.424 0.596 1.00 . A A . 1 PHE CD1 1 1 18 1841 1 1 2 PHE CD2 C -1.135 -4.075 2.458 1.00 . A A . 1 PHE CD2 1 1 18 1842 1 1 2 PHE CE1 C -0.380 -5.613 0.312 1.00 . A A . 1 PHE CE1 1 1 18 1843 1 1 2 PHE CE2 C 0.202 -4.259 2.180 1.00 . A A . 1 PHE CE2 1 1 18 1844 1 1 2 PHE CG C -2.107 -4.656 1.669 1.00 . A A . 1 PHE CG 1 1 18 1845 1 1 2 PHE CZ C 0.583 -5.031 1.104 1.00 . A A . 1 PHE CZ 1 1 18 1846 1 1 2 PHE H H -3.259 -4.429 -0.794 1.00 . A A . 1 PHE H 1 1 18 1847 1 1 2 PHE HA H -5.453 -3.824 1.043 1.00 . A A . 1 PHE HA 1 1 18 1848 1 1 2 PHE HB2 H -3.682 -3.835 2.884 1.00 . A A . 1 PHE HB2 1 1 18 1849 1 1 2 PHE HB3 H -4.040 -5.407 2.214 1.00 . A A . 1 PHE HB3 1 1 18 1850 1 1 2 PHE HD1 H -2.462 -5.873 -0.036 1.00 . A A . 1 PHE HD1 1 1 18 1851 1 1 2 PHE HD2 H -1.431 -3.463 3.297 1.00 . A A . 1 PHE HD2 1 1 18 1852 1 1 2 PHE HE1 H -0.096 -6.221 -0.535 1.00 . A A . 1 PHE HE1 1 1 18 1853 1 1 2 PHE HE2 H 0.950 -3.796 2.807 1.00 . A A . 1 PHE HE2 1 1 18 1854 1 1 2 PHE HZ H 1.631 -5.174 0.887 1.00 . A A . 1 PHE HZ 1 1 18 1855 1 1 2 PHE N N -4.150 -4.503 -0.406 1.00 . A A . 1 PHE N 1 1 18 1856 1 1 2 PHE O O -4.835 -1.533 0.104 1.00 . A A . 1 PHE O 1 1 18 1857 1 1 3 THR C C -1.124 -0.516 -0.136 1.00 . A A . 2 THR C 1 1 18 1858 1 1 3 THR CA C -2.302 -0.600 0.824 1.00 . A A . 2 THR CA 1 1 18 1859 1 1 3 THR CB C -1.916 -0.135 2.218 1.00 . A A . 2 THR CB 1 1 18 1860 1 1 3 THR CG2 C -3.117 -0.297 3.119 1.00 . A A . 2 THR CG2 1 1 18 1861 1 1 3 THR H H -2.266 -2.633 1.382 1.00 . A A . 2 THR H 1 1 18 1862 1 1 3 THR HA H -3.084 0.045 0.456 1.00 . A A . 2 THR HA 1 1 18 1863 1 1 3 THR HB H -1.477 0.846 2.202 1.00 . A A . 2 THR HB 1 1 18 1864 1 1 3 THR HG1 H -0.315 -0.609 3.203 1.00 . A A . 2 THR HG1 1 1 18 1865 1 1 3 THR HG21 H -3.406 -1.343 3.101 1.00 . A A . 2 THR HG21 1 1 18 1866 1 1 3 THR HG22 H -2.877 0.013 4.125 1.00 . A A . 2 THR HG22 1 1 18 1867 1 1 3 THR HG23 H -3.918 0.313 2.730 1.00 . A A . 2 THR HG23 1 1 18 1868 1 1 3 THR N N -2.837 -1.970 0.973 1.00 . A A . 2 THR N 1 1 18 1869 1 1 3 THR O O -0.025 -0.157 0.239 1.00 . A A . 2 THR O 1 1 18 1870 1 1 3 THR OG1 O -0.996 -1.094 2.723 1.00 . A A . 2 THR OG1 1 1 18 1871 1 1 4 LEU C C -0.315 0.649 -2.971 1.00 . A A . 3 LEU C 1 1 18 1872 1 1 4 LEU CA C -0.271 -0.782 -2.392 1.00 . A A . 3 LEU CA 1 1 18 1873 1 1 4 LEU CB C -0.522 -1.825 -3.510 1.00 . A A . 3 LEU CB 1 1 18 1874 1 1 4 LEU CD1 C 0.839 -3.573 -2.232 1.00 . A A . 3 LEU CD1 1 1 18 1875 1 1 4 LEU CD2 C -1.676 -3.642 -2.102 1.00 . A A . 3 LEU CD2 1 1 18 1876 1 1 4 LEU CG C -0.474 -3.304 -3.008 1.00 . A A . 3 LEU CG 1 1 18 1877 1 1 4 LEU H H -2.275 -1.151 -1.612 1.00 . A A . 3 LEU H 1 1 18 1878 1 1 4 LEU HA H 0.688 -0.930 -1.917 1.00 . A A . 3 LEU HA 1 1 18 1879 1 1 4 LEU HB2 H -1.483 -1.628 -3.963 1.00 . A A . 3 LEU HB2 1 1 18 1880 1 1 4 LEU HB3 H 0.229 -1.694 -4.276 1.00 . A A . 3 LEU HB3 1 1 18 1881 1 1 4 LEU HD11 H 1.693 -3.370 -2.862 1.00 . A A . 3 LEU HD11 1 1 18 1882 1 1 4 LEU HD12 H 0.900 -2.951 -1.349 1.00 . A A . 3 LEU HD12 1 1 18 1883 1 1 4 LEU HD13 H 0.882 -4.606 -1.922 1.00 . A A . 3 LEU HD13 1 1 18 1884 1 1 4 LEU HD21 H -2.604 -3.446 -2.622 1.00 . A A . 3 LEU HD21 1 1 18 1885 1 1 4 LEU HD22 H -1.642 -4.690 -1.847 1.00 . A A . 3 LEU HD22 1 1 18 1886 1 1 4 LEU HD23 H -1.661 -3.074 -1.183 1.00 . A A . 3 LEU HD23 1 1 18 1887 1 1 4 LEU HG H -0.502 -3.956 -3.869 1.00 . A A . 3 LEU HG 1 1 18 1888 1 1 4 LEU N N -1.373 -0.849 -1.375 1.00 . A A . 3 LEU N 1 1 18 1889 1 1 4 LEU O O -0.193 0.899 -4.154 1.00 . A A . 3 LEU O 1 1 18 1890 1 1 5 ASP C C 0.336 3.617 -1.123 1.00 . A A . 4 ASP C 1 1 18 1891 1 1 5 ASP CA C -0.595 2.996 -2.164 1.00 . A A . 4 ASP CA 1 1 18 1892 1 1 5 ASP CB C -2.078 3.401 -1.942 1.00 . A A . 4 ASP CB 1 1 18 1893 1 1 5 ASP CG C -2.730 2.519 -0.857 1.00 . A A . 4 ASP CG 1 1 18 1894 1 1 5 ASP H H -0.576 1.185 -1.115 1.00 . A A . 4 ASP H 1 1 18 1895 1 1 5 ASP HA H -0.251 3.273 -3.138 1.00 . A A . 4 ASP HA 1 1 18 1896 1 1 5 ASP HB2 H -2.137 4.433 -1.627 1.00 . A A . 4 ASP HB2 1 1 18 1897 1 1 5 ASP HB3 H -2.627 3.296 -2.867 1.00 . A A . 4 ASP HB3 1 1 18 1898 1 1 5 ASP N N -0.496 1.524 -2.022 1.00 . A A . 4 ASP N 1 1 18 1899 1 1 5 ASP O O 1.066 4.547 -1.404 1.00 . A A . 4 ASP O 1 1 18 1900 1 1 5 ASP OD1 O -2.397 2.691 0.303 1.00 . A A . 4 ASP OD1 1 1 18 1901 1 1 5 ASP OD2 O -3.533 1.698 -1.262 1.00 . A A . 4 ASP OD2 1 1 18 1902 1 1 6 ALA C C 2.213 2.511 1.448 1.00 . A A . 5 ALA C 1 1 18 1903 1 1 6 ALA CA C 1.096 3.519 1.209 1.00 . A A . 5 ALA CA 1 1 18 1904 1 1 6 ALA CB C 0.217 3.617 2.470 1.00 . A A . 5 ALA CB 1 1 18 1905 1 1 6 ALA H H -0.366 2.319 0.180 1.00 . A A . 5 ALA H 1 1 18 1906 1 1 6 ALA HA H 1.535 4.473 0.983 1.00 . A A . 5 ALA HA 1 1 18 1907 1 1 6 ALA HB1 H -0.213 2.647 2.662 1.00 . A A . 5 ALA HB1 1 1 18 1908 1 1 6 ALA HB2 H 0.782 3.904 3.350 1.00 . A A . 5 ALA HB2 1 1 18 1909 1 1 6 ALA HB3 H -0.584 4.324 2.320 1.00 . A A . 5 ALA HB3 1 1 18 1910 1 1 6 ALA N N 0.265 3.060 0.056 1.00 . A A . 5 ALA N 1 1 18 1911 1 1 6 ALA O O 3.373 2.870 1.457 1.00 . A A . 5 ALA O 1 1 18 1912 1 1 7 ASP C C 2.033 -0.466 3.233 1.00 . A A . 6 ASP C 1 1 18 1913 1 1 7 ASP CA C 2.549 0.043 1.891 1.00 . A A . 6 ASP CA 1 1 18 1914 1 1 7 ASP CB C 4.084 0.321 1.993 1.00 . A A . 6 ASP CB 1 1 18 1915 1 1 7 ASP CG C 4.855 -0.957 2.363 1.00 . A A . 6 ASP CG 1 1 18 1916 1 1 7 ASP H H 0.783 1.211 1.570 1.00 . A A . 6 ASP H 1 1 18 1917 1 1 7 ASP HA H 2.349 -0.693 1.149 1.00 . A A . 6 ASP HA 1 1 18 1918 1 1 7 ASP HB2 H 4.447 0.685 1.044 1.00 . A A . 6 ASP HB2 1 1 18 1919 1 1 7 ASP HB3 H 4.282 1.068 2.741 1.00 . A A . 6 ASP HB3 1 1 18 1920 1 1 7 ASP N N 1.756 1.297 1.623 1.00 . A A . 6 ASP N 1 1 18 1921 1 1 7 ASP O O 1.964 -1.647 3.509 1.00 . A A . 6 ASP O 1 1 18 1922 1 1 7 ASP OD1 O 4.876 -1.267 3.544 1.00 . A A . 6 ASP OD1 1 1 18 1923 1 1 7 ASP OD2 O 5.381 -1.556 1.439 1.00 . A A . 6 ASP OD2 1 1 18 1924 1 1 8 PHE C C -0.284 0.916 5.555 1.00 . A A . 7 PHE C 1 1 18 1925 1 1 8 PHE CA C 1.135 0.356 5.383 1.00 . A A . 7 PHE CA 1 1 18 1926 1 1 8 PHE CB C 2.136 1.049 6.313 1.00 . A A . 7 PHE CB 1 1 18 1927 1 1 8 PHE CD1 C 2.093 3.478 5.494 1.00 . A A . 7 PHE CD1 1 1 18 1928 1 1 8 PHE CD2 C 3.956 2.104 4.959 1.00 . A A . 7 PHE CD2 1 1 18 1929 1 1 8 PHE CE1 C 2.675 4.530 4.818 1.00 . A A . 7 PHE CE1 1 1 18 1930 1 1 8 PHE CE2 C 4.544 3.153 4.284 1.00 . A A . 7 PHE CE2 1 1 18 1931 1 1 8 PHE CG C 2.733 2.259 5.571 1.00 . A A . 7 PHE CG 1 1 18 1932 1 1 8 PHE CZ C 3.902 4.369 4.213 1.00 . A A . 7 PHE CZ 1 1 18 1933 1 1 8 PHE H H 1.768 1.421 3.662 1.00 . A A . 7 PHE H 1 1 18 1934 1 1 8 PHE HA H 1.125 -0.689 5.606 1.00 . A A . 7 PHE HA 1 1 18 1935 1 1 8 PHE HB2 H 1.651 1.392 7.217 1.00 . A A . 7 PHE HB2 1 1 18 1936 1 1 8 PHE HB3 H 2.927 0.364 6.581 1.00 . A A . 7 PHE HB3 1 1 18 1937 1 1 8 PHE HD1 H 1.122 3.604 5.946 1.00 . A A . 7 PHE HD1 1 1 18 1938 1 1 8 PHE HD2 H 4.435 1.134 4.994 1.00 . A A . 7 PHE HD2 1 1 18 1939 1 1 8 PHE HE1 H 2.163 5.480 4.764 1.00 . A A . 7 PHE HE1 1 1 18 1940 1 1 8 PHE HE2 H 5.504 3.016 3.809 1.00 . A A . 7 PHE HE2 1 1 18 1941 1 1 8 PHE HZ H 4.360 5.192 3.684 1.00 . A A . 7 PHE HZ 1 1 18 1942 1 1 8 PHE N N 1.675 0.514 4.009 1.00 . A A . 7 PHE N 1 1 18 1943 1 1 8 PHE O O -0.775 1.477 4.595 1.00 . A A . 7 PHE O 1 1 18 1944 1 1 8 PHE OXT O -0.806 0.754 6.646 1.00 . A A . 7 PHE OXT 1 1 19 1945 1 1 2 PHE C C -3.884 -2.629 0.083 1.00 . A A . 1 PHE C 1 1 19 1946 1 1 2 PHE CA C -4.354 -4.058 -0.093 1.00 . A A . 1 PHE CA 1 1 19 1947 1 1 2 PHE CB C -3.495 -5.096 0.708 1.00 . A A . 1 PHE CB 1 1 19 1948 1 1 2 PHE CD1 C -1.854 -5.767 -1.093 1.00 . A A . 1 PHE CD1 1 1 19 1949 1 1 2 PHE CD2 C -0.978 -5.105 1.001 1.00 . A A . 1 PHE CD2 1 1 19 1950 1 1 2 PHE CE1 C -0.584 -5.986 -1.567 1.00 . A A . 1 PHE CE1 1 1 19 1951 1 1 2 PHE CE2 C 0.303 -5.320 0.538 1.00 . A A . 1 PHE CE2 1 1 19 1952 1 1 2 PHE CG C -2.068 -5.329 0.187 1.00 . A A . 1 PHE CG 1 1 19 1953 1 1 2 PHE CZ C 0.504 -5.764 -0.751 1.00 . A A . 1 PHE CZ 1 1 19 1954 1 1 2 PHE H H -3.480 -4.337 -1.998 1.00 . A A . 1 PHE H 1 1 19 1955 1 1 2 PHE HA H -5.348 -4.125 0.258 1.00 . A A . 1 PHE HA 1 1 19 1956 1 1 2 PHE HB2 H -3.435 -4.768 1.731 1.00 . A A . 1 PHE HB2 1 1 19 1957 1 1 2 PHE HB3 H -4.008 -6.043 0.662 1.00 . A A . 1 PHE HB3 1 1 19 1958 1 1 2 PHE HD1 H -2.698 -5.933 -1.740 1.00 . A A . 1 PHE HD1 1 1 19 1959 1 1 2 PHE HD2 H -1.134 -4.751 2.009 1.00 . A A . 1 PHE HD2 1 1 19 1960 1 1 2 PHE HE1 H -0.461 -6.324 -2.585 1.00 . A A . 1 PHE HE1 1 1 19 1961 1 1 2 PHE HE2 H 1.148 -5.139 1.188 1.00 . A A . 1 PHE HE2 1 1 19 1962 1 1 2 PHE HZ H 1.506 -5.933 -1.116 1.00 . A A . 1 PHE HZ 1 1 19 1963 1 1 2 PHE N N -4.314 -4.463 -1.507 1.00 . A A . 1 PHE N 1 1 19 1964 1 1 2 PHE O O -4.676 -1.709 0.046 1.00 . A A . 1 PHE O 1 1 19 1965 1 1 3 THR C C -1.120 -0.818 -0.734 1.00 . A A . 2 THR C 1 1 19 1966 1 1 3 THR CA C -1.981 -1.169 0.453 1.00 . A A . 2 THR CA 1 1 19 1967 1 1 3 THR CB C -1.179 -1.253 1.720 1.00 . A A . 2 THR CB 1 1 19 1968 1 1 3 THR CG2 C -2.142 -1.634 2.824 1.00 . A A . 2 THR CG2 1 1 19 1969 1 1 3 THR H H -2.041 -3.274 0.293 1.00 . A A . 2 THR H 1 1 19 1970 1 1 3 THR HA H -2.756 -0.425 0.557 1.00 . A A . 2 THR HA 1 1 19 1971 1 1 3 THR HB H -0.588 -0.365 1.885 1.00 . A A . 2 THR HB 1 1 19 1972 1 1 3 THR HG1 H 0.563 -2.152 1.492 1.00 . A A . 2 THR HG1 1 1 19 1973 1 1 3 THR HG21 H -2.623 -2.570 2.542 1.00 . A A . 2 THR HG21 1 1 19 1974 1 1 3 THR HG22 H -1.623 -1.737 3.763 1.00 . A A . 2 THR HG22 1 1 19 1975 1 1 3 THR HG23 H -2.885 -0.853 2.897 1.00 . A A . 2 THR HG23 1 1 19 1976 1 1 3 THR N N -2.610 -2.490 0.263 1.00 . A A . 2 THR N 1 1 19 1977 1 1 3 THR O O 0.072 -0.593 -0.635 1.00 . A A . 2 THR O 1 1 19 1978 1 1 3 THR OG1 O -0.364 -2.409 1.556 1.00 . A A . 2 THR OG1 1 1 19 1979 1 1 4 LEU C C -1.076 1.087 -3.244 1.00 . A A . 3 LEU C 1 1 19 1980 1 1 4 LEU CA C -1.078 -0.445 -3.122 1.00 . A A . 3 LEU CA 1 1 19 1981 1 1 4 LEU CB C -1.842 -1.104 -4.288 1.00 . A A . 3 LEU CB 1 1 19 1982 1 1 4 LEU CD1 C -2.750 -3.299 -5.163 1.00 . A A . 3 LEU CD1 1 1 19 1983 1 1 4 LEU CD2 C -1.231 -3.342 -3.137 1.00 . A A . 3 LEU CD2 1 1 19 1984 1 1 4 LEU CG C -2.307 -2.545 -3.906 1.00 . A A . 3 LEU CG 1 1 19 1985 1 1 4 LEU H H -2.741 -1.000 -1.842 1.00 . A A . 3 LEU H 1 1 19 1986 1 1 4 LEU HA H -0.056 -0.798 -3.082 1.00 . A A . 3 LEU HA 1 1 19 1987 1 1 4 LEU HB2 H -2.705 -0.503 -4.538 1.00 . A A . 3 LEU HB2 1 1 19 1988 1 1 4 LEU HB3 H -1.194 -1.137 -5.153 1.00 . A A . 3 LEU HB3 1 1 19 1989 1 1 4 LEU HD11 H -1.939 -3.349 -5.873 1.00 . A A . 3 LEU HD11 1 1 19 1990 1 1 4 LEU HD12 H -3.042 -4.305 -4.913 1.00 . A A . 3 LEU HD12 1 1 19 1991 1 1 4 LEU HD13 H -3.591 -2.796 -5.617 1.00 . A A . 3 LEU HD13 1 1 19 1992 1 1 4 LEU HD21 H -0.314 -3.418 -3.699 1.00 . A A . 3 LEU HD21 1 1 19 1993 1 1 4 LEU HD22 H -1.010 -2.884 -2.178 1.00 . A A . 3 LEU HD22 1 1 19 1994 1 1 4 LEU HD23 H -1.611 -4.334 -2.961 1.00 . A A . 3 LEU HD23 1 1 19 1995 1 1 4 LEU HG H -3.173 -2.454 -3.265 1.00 . A A . 3 LEU HG 1 1 19 1996 1 1 4 LEU N N -1.785 -0.783 -1.853 1.00 . A A . 3 LEU N 1 1 19 1997 1 1 4 LEU O O -1.219 1.657 -4.308 1.00 . A A . 3 LEU O 1 1 19 1998 1 1 5 ASP C C 0.345 3.460 -1.022 1.00 . A A . 4 ASP C 1 1 19 1999 1 1 5 ASP CA C -0.859 3.146 -1.905 1.00 . A A . 4 ASP CA 1 1 19 2000 1 1 5 ASP CB C -2.175 3.639 -1.230 1.00 . A A . 4 ASP CB 1 1 19 2001 1 1 5 ASP CG C -2.330 3.074 0.191 1.00 . A A . 4 ASP CG 1 1 19 2002 1 1 5 ASP H H -0.799 1.118 -1.297 1.00 . A A . 4 ASP H 1 1 19 2003 1 1 5 ASP HA H -0.708 3.613 -2.852 1.00 . A A . 4 ASP HA 1 1 19 2004 1 1 5 ASP HB2 H -2.172 4.719 -1.186 1.00 . A A . 4 ASP HB2 1 1 19 2005 1 1 5 ASP HB3 H -3.026 3.326 -1.817 1.00 . A A . 4 ASP HB3 1 1 19 2006 1 1 5 ASP N N -0.905 1.676 -2.090 1.00 . A A . 4 ASP N 1 1 19 2007 1 1 5 ASP O O 1.172 4.281 -1.366 1.00 . A A . 4 ASP O 1 1 19 2008 1 1 5 ASP OD1 O -2.408 1.863 0.287 1.00 . A A . 4 ASP OD1 1 1 19 2009 1 1 5 ASP OD2 O -2.353 3.879 1.105 1.00 . A A . 4 ASP OD2 1 1 19 2010 1 1 6 ALA C C 2.231 1.706 1.480 1.00 . A A . 5 ALA C 1 1 19 2011 1 1 6 ALA CA C 1.511 2.981 1.066 1.00 . A A . 5 ALA CA 1 1 19 2012 1 1 6 ALA CB C 0.967 3.671 2.331 1.00 . A A . 5 ALA CB 1 1 19 2013 1 1 6 ALA H H -0.326 2.135 0.277 1.00 . A A . 5 ALA H 1 1 19 2014 1 1 6 ALA HA H 2.246 3.625 0.626 1.00 . A A . 5 ALA HA 1 1 19 2015 1 1 6 ALA HB1 H 0.184 3.082 2.787 1.00 . A A . 5 ALA HB1 1 1 19 2016 1 1 6 ALA HB2 H 1.768 3.782 3.051 1.00 . A A . 5 ALA HB2 1 1 19 2017 1 1 6 ALA HB3 H 0.568 4.644 2.088 1.00 . A A . 5 ALA HB3 1 1 19 2018 1 1 6 ALA N N 0.393 2.781 0.096 1.00 . A A . 5 ALA N 1 1 19 2019 1 1 6 ALA O O 3.340 1.467 1.051 1.00 . A A . 5 ALA O 1 1 19 2020 1 1 7 ASP C C 1.984 -0.084 4.429 1.00 . A A . 6 ASP C 1 1 19 2021 1 1 7 ASP CA C 1.929 -0.340 2.922 1.00 . A A . 6 ASP CA 1 1 19 2022 1 1 7 ASP CB C 3.328 -0.827 2.464 1.00 . A A . 6 ASP CB 1 1 19 2023 1 1 7 ASP CG C 3.588 -2.225 3.044 1.00 . A A . 6 ASP CG 1 1 19 2024 1 1 7 ASP H H 0.649 1.328 2.537 1.00 . A A . 6 ASP H 1 1 19 2025 1 1 7 ASP HA H 1.175 -1.076 2.742 1.00 . A A . 6 ASP HA 1 1 19 2026 1 1 7 ASP HB2 H 3.364 -0.895 1.387 1.00 . A A . 6 ASP HB2 1 1 19 2027 1 1 7 ASP HB3 H 4.094 -0.144 2.804 1.00 . A A . 6 ASP HB3 1 1 19 2028 1 1 7 ASP N N 1.528 0.972 2.304 1.00 . A A . 6 ASP N 1 1 19 2029 1 1 7 ASP O O 1.831 -0.979 5.237 1.00 . A A . 6 ASP O 1 1 19 2030 1 1 7 ASP OD1 O 2.842 -3.111 2.655 1.00 . A A . 6 ASP OD1 1 1 19 2031 1 1 7 ASP OD2 O 4.510 -2.326 3.836 1.00 . A A . 6 ASP OD2 1 1 19 2032 1 1 8 PHE C C 1.231 2.746 6.396 1.00 . A A . 7 PHE C 1 1 19 2033 1 1 8 PHE CA C 2.300 1.669 6.125 1.00 . A A . 7 PHE CA 1 1 19 2034 1 1 8 PHE CB C 3.715 2.251 6.354 1.00 . A A . 7 PHE CB 1 1 19 2035 1 1 8 PHE CD1 C 3.959 3.399 4.116 1.00 . A A . 7 PHE CD1 1 1 19 2036 1 1 8 PHE CD2 C 4.052 4.739 6.075 1.00 . A A . 7 PHE CD2 1 1 19 2037 1 1 8 PHE CE1 C 4.130 4.518 3.334 1.00 . A A . 7 PHE CE1 1 1 19 2038 1 1 8 PHE CE2 C 4.225 5.866 5.298 1.00 . A A . 7 PHE CE2 1 1 19 2039 1 1 8 PHE CG C 3.918 3.500 5.488 1.00 . A A . 7 PHE CG 1 1 19 2040 1 1 8 PHE CZ C 4.265 5.757 3.924 1.00 . A A . 7 PHE CZ 1 1 19 2041 1 1 8 PHE H H 2.294 1.810 4.003 1.00 . A A . 7 PHE H 1 1 19 2042 1 1 8 PHE HA H 2.142 0.850 6.781 1.00 . A A . 7 PHE HA 1 1 19 2043 1 1 8 PHE HB2 H 3.832 2.514 7.395 1.00 . A A . 7 PHE HB2 1 1 19 2044 1 1 8 PHE HB3 H 4.462 1.516 6.094 1.00 . A A . 7 PHE HB3 1 1 19 2045 1 1 8 PHE HD1 H 3.852 2.427 3.658 1.00 . A A . 7 PHE HD1 1 1 19 2046 1 1 8 PHE HD2 H 4.013 4.815 7.152 1.00 . A A . 7 PHE HD2 1 1 19 2047 1 1 8 PHE HE1 H 4.148 4.417 2.260 1.00 . A A . 7 PHE HE1 1 1 19 2048 1 1 8 PHE HE2 H 4.329 6.833 5.769 1.00 . A A . 7 PHE HE2 1 1 19 2049 1 1 8 PHE HZ H 4.400 6.636 3.313 1.00 . A A . 7 PHE HZ 1 1 19 2050 1 1 8 PHE N N 2.201 1.169 4.729 1.00 . A A . 7 PHE N 1 1 19 2051 1 1 8 PHE O O 0.538 3.086 5.451 1.00 . A A . 7 PHE O 1 1 19 2052 1 1 8 PHE OXT O 1.171 3.173 7.537 1.00 . A A . 7 PHE OXT 1 1 20 2053 1 1 2 PHE C C -3.968 -2.113 0.643 1.00 . A A . 1 PHE C 1 1 20 2054 1 1 2 PHE CA C -4.611 -3.495 0.623 1.00 . A A . 1 PHE CA 1 1 20 2055 1 1 2 PHE CB C -3.962 -4.482 1.666 1.00 . A A . 1 PHE CB 1 1 20 2056 1 1 2 PHE CD1 C -2.317 -5.648 0.110 1.00 . A A . 1 PHE CD1 1 1 20 2057 1 1 2 PHE CD2 C -1.478 -4.692 2.113 1.00 . A A . 1 PHE CD2 1 1 20 2058 1 1 2 PHE CE1 C -1.051 -6.070 -0.226 1.00 . A A . 1 PHE CE1 1 1 20 2059 1 1 2 PHE CE2 C -0.206 -5.111 1.783 1.00 . A A . 1 PHE CE2 1 1 20 2060 1 1 2 PHE CG C -2.546 -4.957 1.281 1.00 . A A . 1 PHE CG 1 1 20 2061 1 1 2 PHE CZ C 0.009 -5.802 0.611 1.00 . A A . 1 PHE CZ 1 1 20 2062 1 1 2 PHE H H -3.619 -4.189 -1.122 1.00 . A A . 1 PHE H 1 1 20 2063 1 1 2 PHE HA H -5.635 -3.394 0.857 1.00 . A A . 1 PHE HA 1 1 20 2064 1 1 2 PHE HB2 H -3.917 -3.994 2.629 1.00 . A A . 1 PHE HB2 1 1 20 2065 1 1 2 PHE HB3 H -4.593 -5.353 1.765 1.00 . A A . 1 PHE HB3 1 1 20 2066 1 1 2 PHE HD1 H -3.140 -5.853 -0.555 1.00 . A A . 1 PHE HD1 1 1 20 2067 1 1 2 PHE HD2 H -1.642 -4.147 3.030 1.00 . A A . 1 PHE HD2 1 1 20 2068 1 1 2 PHE HE1 H -0.897 -6.610 -1.149 1.00 . A A . 1 PHE HE1 1 1 20 2069 1 1 2 PHE HE2 H 0.620 -4.895 2.445 1.00 . A A . 1 PHE HE2 1 1 20 2070 1 1 2 PHE HZ H 1.005 -6.131 0.351 1.00 . A A . 1 PHE HZ 1 1 20 2071 1 1 2 PHE N N -4.500 -4.112 -0.712 1.00 . A A . 1 PHE N 1 1 20 2072 1 1 2 PHE O O -4.646 -1.123 0.461 1.00 . A A . 1 PHE O 1 1 20 2073 1 1 3 THR C C -0.846 -0.742 -0.181 1.00 . A A . 2 THR C 1 1 20 2074 1 1 3 THR CA C -1.906 -0.833 0.913 1.00 . A A . 2 THR CA 1 1 20 2075 1 1 3 THR CB C -1.292 -0.775 2.315 1.00 . A A . 2 THR CB 1 1 20 2076 1 1 3 THR CG2 C -2.415 -0.942 3.322 1.00 . A A . 2 THR CG2 1 1 20 2077 1 1 3 THR H H -2.227 -2.930 1.016 1.00 . A A . 2 THR H 1 1 20 2078 1 1 3 THR HA H -2.575 0.008 0.803 1.00 . A A . 2 THR HA 1 1 20 2079 1 1 3 THR HB H -0.665 0.089 2.481 1.00 . A A . 2 THR HB 1 1 20 2080 1 1 3 THR HG1 H 0.352 -1.751 2.692 1.00 . A A . 2 THR HG1 1 1 20 2081 1 1 3 THR HG21 H -2.911 -1.886 3.127 1.00 . A A . 2 THR HG21 1 1 20 2082 1 1 3 THR HG22 H -2.032 -0.919 4.330 1.00 . A A . 2 THR HG22 1 1 20 2083 1 1 3 THR HG23 H -3.112 -0.129 3.181 1.00 . A A . 2 THR HG23 1 1 20 2084 1 1 3 THR N N -2.688 -2.094 0.861 1.00 . A A . 2 THR N 1 1 20 2085 1 1 3 THR O O 0.309 -0.476 0.091 1.00 . A A . 2 THR O 1 1 20 2086 1 1 3 THR OG1 O -0.547 -1.980 2.439 1.00 . A A . 2 THR OG1 1 1 20 2087 1 1 4 LEU C C -0.369 0.583 -3.044 1.00 . A A . 3 LEU C 1 1 20 2088 1 1 4 LEU CA C -0.262 -0.870 -2.535 1.00 . A A . 3 LEU CA 1 1 20 2089 1 1 4 LEU CB C -0.638 -1.849 -3.683 1.00 . A A . 3 LEU CB 1 1 20 2090 1 1 4 LEU CD1 C 0.573 -3.756 -2.464 1.00 . A A . 3 LEU CD1 1 1 20 2091 1 1 4 LEU CD2 C -1.957 -3.665 -2.450 1.00 . A A . 3 LEU CD2 1 1 20 2092 1 1 4 LEU CG C -0.689 -3.351 -3.263 1.00 . A A . 3 LEU CG 1 1 20 2093 1 1 4 LEU H H -2.196 -1.173 -1.570 1.00 . A A . 3 LEU H 1 1 20 2094 1 1 4 LEU HA H 0.742 -1.045 -2.177 1.00 . A A . 3 LEU HA 1 1 20 2095 1 1 4 LEU HB2 H -1.597 -1.557 -4.088 1.00 . A A . 3 LEU HB2 1 1 20 2096 1 1 4 LEU HB3 H 0.092 -1.737 -4.473 1.00 . A A . 3 LEU HB3 1 1 20 2097 1 1 4 LEU HD11 H 1.460 -3.584 -3.056 1.00 . A A . 3 LEU HD11 1 1 20 2098 1 1 4 LEU HD12 H 0.650 -3.185 -1.549 1.00 . A A . 3 LEU HD12 1 1 20 2099 1 1 4 LEU HD13 H 0.531 -4.804 -2.207 1.00 . A A . 3 LEU HD13 1 1 20 2100 1 1 4 LEU HD21 H -2.834 -3.391 -3.017 1.00 . A A . 3 LEU HD21 1 1 20 2101 1 1 4 LEU HD22 H -2.003 -4.723 -2.242 1.00 . A A . 3 LEU HD22 1 1 20 2102 1 1 4 LEU HD23 H -1.968 -3.136 -1.510 1.00 . A A . 3 LEU HD23 1 1 20 2103 1 1 4 LEU HG H -0.716 -3.946 -4.165 1.00 . A A . 3 LEU HG 1 1 20 2104 1 1 4 LEU N N -1.252 -0.955 -1.406 1.00 . A A . 3 LEU N 1 1 20 2105 1 1 4 LEU O O -0.266 0.886 -4.217 1.00 . A A . 3 LEU O 1 1 20 2106 1 1 5 ASP C C 0.170 3.544 -1.132 1.00 . A A . 4 ASP C 1 1 20 2107 1 1 5 ASP CA C -0.734 2.886 -2.172 1.00 . A A . 4 ASP CA 1 1 20 2108 1 1 5 ASP CB C -2.232 3.203 -1.939 1.00 . A A . 4 ASP CB 1 1 20 2109 1 1 5 ASP CG C -2.776 2.336 -0.785 1.00 . A A . 4 ASP CG 1 1 20 2110 1 1 5 ASP H H -0.636 1.049 -1.164 1.00 . A A . 4 ASP H 1 1 20 2111 1 1 5 ASP HA H -0.416 3.196 -3.144 1.00 . A A . 4 ASP HA 1 1 20 2112 1 1 5 ASP HB2 H -2.357 4.245 -1.682 1.00 . A A . 4 ASP HB2 1 1 20 2113 1 1 5 ASP HB3 H -2.797 3.001 -2.838 1.00 . A A . 4 ASP HB3 1 1 20 2114 1 1 5 ASP N N -0.576 1.416 -2.063 1.00 . A A . 4 ASP N 1 1 20 2115 1 1 5 ASP O O 0.851 4.512 -1.406 1.00 . A A . 4 ASP O 1 1 20 2116 1 1 5 ASP OD1 O -2.532 2.688 0.355 1.00 . A A . 4 ASP OD1 1 1 20 2117 1 1 5 ASP OD2 O -3.403 1.345 -1.121 1.00 . A A . 4 ASP OD2 1 1 20 2118 1 1 6 ALA C C 2.117 2.541 1.478 1.00 . A A . 5 ALA C 1 1 20 2119 1 1 6 ALA CA C 0.943 3.459 1.193 1.00 . A A . 5 ALA CA 1 1 20 2120 1 1 6 ALA CB C 0.081 3.518 2.452 1.00 . A A . 5 ALA CB 1 1 20 2121 1 1 6 ALA H H -0.459 2.196 0.152 1.00 . A A . 5 ALA H 1 1 20 2122 1 1 6 ALA HA H 1.323 4.438 0.973 1.00 . A A . 5 ALA HA 1 1 20 2123 1 1 6 ALA HB1 H -0.327 2.539 2.649 1.00 . A A . 5 ALA HB1 1 1 20 2124 1 1 6 ALA HB2 H 0.687 3.796 3.303 1.00 . A A . 5 ALA HB2 1 1 20 2125 1 1 6 ALA HB3 H -0.734 4.217 2.336 1.00 . A A . 5 ALA HB3 1 1 20 2126 1 1 6 ALA N N 0.132 2.969 0.040 1.00 . A A . 5 ALA N 1 1 20 2127 1 1 6 ALA O O 3.249 2.981 1.501 1.00 . A A . 5 ALA O 1 1 20 2128 1 1 7 ASP C C 2.107 -0.375 3.343 1.00 . A A . 6 ASP C 1 1 20 2129 1 1 7 ASP CA C 2.616 0.130 1.994 1.00 . A A . 6 ASP CA 1 1 20 2130 1 1 7 ASP CB C 4.119 0.518 2.142 1.00 . A A . 6 ASP CB 1 1 20 2131 1 1 7 ASP CG C 4.969 -0.718 2.486 1.00 . A A . 6 ASP CG 1 1 20 2132 1 1 7 ASP H H 0.776 1.151 1.612 1.00 . A A . 6 ASP H 1 1 20 2133 1 1 7 ASP HA H 2.471 -0.633 1.256 1.00 . A A . 6 ASP HA 1 1 20 2134 1 1 7 ASP HB2 H 4.479 0.942 1.216 1.00 . A A . 6 ASP HB2 1 1 20 2135 1 1 7 ASP HB3 H 4.239 1.247 2.930 1.00 . A A . 6 ASP HB3 1 1 20 2136 1 1 7 ASP N N 1.737 1.308 1.677 1.00 . A A . 6 ASP N 1 1 20 2137 1 1 7 ASP O O 2.109 -1.556 3.629 1.00 . A A . 6 ASP O 1 1 20 2138 1 1 7 ASP OD1 O 4.980 -1.072 3.654 1.00 . A A . 6 ASP OD1 1 1 20 2139 1 1 7 ASP OD2 O 5.558 -1.240 1.554 1.00 . A A . 6 ASP OD2 1 1 20 2140 1 1 8 PHE C C -0.319 0.833 5.635 1.00 . A A . 7 PHE C 1 1 20 2141 1 1 8 PHE CA C 1.133 0.350 5.475 1.00 . A A . 7 PHE CA 1 1 20 2142 1 1 8 PHE CB C 2.046 1.066 6.489 1.00 . A A . 7 PHE CB 1 1 20 2143 1 1 8 PHE CD1 C 2.393 3.225 5.182 1.00 . A A . 7 PHE CD1 1 1 20 2144 1 1 8 PHE CD2 C 1.469 3.355 7.369 1.00 . A A . 7 PHE CD2 1 1 20 2145 1 1 8 PHE CE1 C 2.322 4.598 5.067 1.00 . A A . 7 PHE CE1 1 1 20 2146 1 1 8 PHE CE2 C 1.394 4.728 7.259 1.00 . A A . 7 PHE CE2 1 1 20 2147 1 1 8 PHE CG C 1.968 2.594 6.334 1.00 . A A . 7 PHE CG 1 1 20 2148 1 1 8 PHE CZ C 1.823 5.352 6.107 1.00 . A A . 7 PHE CZ 1 1 20 2149 1 1 8 PHE H H 1.700 1.492 3.762 1.00 . A A . 7 PHE H 1 1 20 2150 1 1 8 PHE HA H 1.170 -0.693 5.666 1.00 . A A . 7 PHE HA 1 1 20 2151 1 1 8 PHE HB2 H 1.748 0.794 7.491 1.00 . A A . 7 PHE HB2 1 1 20 2152 1 1 8 PHE HB3 H 3.069 0.755 6.337 1.00 . A A . 7 PHE HB3 1 1 20 2153 1 1 8 PHE HD1 H 2.774 2.634 4.364 1.00 . A A . 7 PHE HD1 1 1 20 2154 1 1 8 PHE HD2 H 1.131 2.857 8.265 1.00 . A A . 7 PHE HD2 1 1 20 2155 1 1 8 PHE HE1 H 2.658 5.079 4.160 1.00 . A A . 7 PHE HE1 1 1 20 2156 1 1 8 PHE HE2 H 1.001 5.313 8.077 1.00 . A A . 7 PHE HE2 1 1 20 2157 1 1 8 PHE HZ H 1.767 6.427 6.019 1.00 . A A . 7 PHE HZ 1 1 20 2158 1 1 8 PHE N N 1.674 0.585 4.112 1.00 . A A . 7 PHE N 1 1 20 2159 1 1 8 PHE O O -0.802 1.445 4.701 1.00 . A A . 7 PHE O 1 1 20 2160 1 1 8 PHE OXT O -0.866 0.563 6.691 1.00 . A A . 7 PHE OXT 1 1 21 2161 1 1 2 PHE C C -4.036 -2.292 0.609 1.00 . A A . 1 PHE C 1 1 21 2162 1 1 2 PHE CA C -4.402 -3.750 0.824 1.00 . A A . 1 PHE CA 1 1 21 2163 1 1 2 PHE CB C -3.740 -4.383 2.104 1.00 . A A . 1 PHE CB 1 1 21 2164 1 1 2 PHE CD1 C -1.623 -5.264 1.021 1.00 . A A . 1 PHE CD1 1 1 21 2165 1 1 2 PHE CD2 C -1.400 -3.927 2.963 1.00 . A A . 1 PHE CD2 1 1 21 2166 1 1 2 PHE CE1 C -0.258 -5.400 0.944 1.00 . A A . 1 PHE CE1 1 1 21 2167 1 1 2 PHE CE2 C -0.030 -4.058 2.896 1.00 . A A . 1 PHE CE2 1 1 21 2168 1 1 2 PHE CG C -2.209 -4.532 2.025 1.00 . A A . 1 PHE CG 1 1 21 2169 1 1 2 PHE CZ C 0.546 -4.795 1.884 1.00 . A A . 1 PHE CZ 1 1 21 2170 1 1 2 PHE H H -3.024 -4.468 -0.613 1.00 . A A . 1 PHE H 1 1 21 2171 1 1 2 PHE HA H -5.450 -3.829 0.908 1.00 . A A . 1 PHE HA 1 1 21 2172 1 1 2 PHE HB2 H -3.983 -3.767 2.956 1.00 . A A . 1 PHE HB2 1 1 21 2173 1 1 2 PHE HB3 H -4.161 -5.365 2.255 1.00 . A A . 1 PHE HB3 1 1 21 2174 1 1 2 PHE HD1 H -2.244 -5.733 0.279 1.00 . A A . 1 PHE HD1 1 1 21 2175 1 1 2 PHE HD2 H -1.847 -3.342 3.751 1.00 . A A . 1 PHE HD2 1 1 21 2176 1 1 2 PHE HE1 H 0.165 -5.977 0.136 1.00 . A A . 1 PHE HE1 1 1 21 2177 1 1 2 PHE HE2 H 0.594 -3.579 3.637 1.00 . A A . 1 PHE HE2 1 1 21 2178 1 1 2 PHE HZ H 1.621 -4.895 1.832 1.00 . A A . 1 PHE HZ 1 1 21 2179 1 1 2 PHE N N -3.958 -4.534 -0.341 1.00 . A A . 1 PHE N 1 1 21 2180 1 1 2 PHE O O -4.826 -1.537 0.079 1.00 . A A . 1 PHE O 1 1 21 2181 1 1 3 THR C C -1.175 -0.480 -0.074 1.00 . A A . 2 THR C 1 1 21 2182 1 1 3 THR CA C -2.353 -0.562 0.877 1.00 . A A . 2 THR CA 1 1 21 2183 1 1 3 THR CB C -1.986 -0.091 2.272 1.00 . A A . 2 THR CB 1 1 21 2184 1 1 3 THR CG2 C -3.206 -0.255 3.146 1.00 . A A . 2 THR CG2 1 1 21 2185 1 1 3 THR H H -2.284 -2.594 1.446 1.00 . A A . 2 THR H 1 1 21 2186 1 1 3 THR HA H -3.146 0.061 0.492 1.00 . A A . 2 THR HA 1 1 21 2187 1 1 3 THR HB H -1.559 0.897 2.263 1.00 . A A . 2 THR HB 1 1 21 2188 1 1 3 THR HG1 H -0.381 -0.546 3.263 1.00 . A A . 2 THR HG1 1 1 21 2189 1 1 3 THR HG21 H -3.508 -1.299 3.114 1.00 . A A . 2 THR HG21 1 1 21 2190 1 1 3 THR HG22 H -2.986 0.051 4.156 1.00 . A A . 2 THR HG22 1 1 21 2191 1 1 3 THR HG23 H -3.988 0.366 2.737 1.00 . A A . 2 THR HG23 1 1 21 2192 1 1 3 THR N N -2.856 -1.943 1.017 1.00 . A A . 2 THR N 1 1 21 2193 1 1 3 THR O O -0.074 -0.114 0.284 1.00 . A A . 2 THR O 1 1 21 2194 1 1 3 THR OG1 O -1.061 -1.039 2.790 1.00 . A A . 2 THR OG1 1 1 21 2195 1 1 4 LEU C C -0.330 0.641 -2.916 1.00 . A A . 3 LEU C 1 1 21 2196 1 1 4 LEU CA C -0.382 -0.795 -2.350 1.00 . A A . 3 LEU CA 1 1 21 2197 1 1 4 LEU CB C -0.755 -1.826 -3.438 1.00 . A A . 3 LEU CB 1 1 21 2198 1 1 4 LEU CD1 C -1.088 -3.515 -1.517 1.00 . A A . 3 LEU CD1 1 1 21 2199 1 1 4 LEU CD2 C -1.273 -4.259 -3.885 1.00 . A A . 3 LEU CD2 1 1 21 2200 1 1 4 LEU CG C -0.536 -3.291 -2.939 1.00 . A A . 3 LEU CG 1 1 21 2201 1 1 4 LEU H H -2.359 -1.143 -1.501 1.00 . A A . 3 LEU H 1 1 21 2202 1 1 4 LEU HA H 0.575 -1.033 -1.908 1.00 . A A . 3 LEU HA 1 1 21 2203 1 1 4 LEU HB2 H -1.784 -1.675 -3.730 1.00 . A A . 3 LEU HB2 1 1 21 2204 1 1 4 LEU HB3 H -0.134 -1.656 -4.306 1.00 . A A . 3 LEU HB3 1 1 21 2205 1 1 4 LEU HD11 H -2.131 -3.244 -1.479 1.00 . A A . 3 LEU HD11 1 1 21 2206 1 1 4 LEU HD12 H -0.972 -4.554 -1.252 1.00 . A A . 3 LEU HD12 1 1 21 2207 1 1 4 LEU HD13 H -0.555 -2.916 -0.789 1.00 . A A . 3 LEU HD13 1 1 21 2208 1 1 4 LEU HD21 H -0.892 -4.160 -4.891 1.00 . A A . 3 LEU HD21 1 1 21 2209 1 1 4 LEU HD22 H -1.129 -5.280 -3.560 1.00 . A A . 3 LEU HD22 1 1 21 2210 1 1 4 LEU HD23 H -2.332 -4.044 -3.892 1.00 . A A . 3 LEU HD23 1 1 21 2211 1 1 4 LEU HG H 0.522 -3.517 -2.949 1.00 . A A . 3 LEU HG 1 1 21 2212 1 1 4 LEU N N -1.450 -0.835 -1.297 1.00 . A A . 3 LEU N 1 1 21 2213 1 1 4 LEU O O -0.126 0.876 -4.091 1.00 . A A . 3 LEU O 1 1 21 2214 1 1 5 ASP C C 0.409 3.602 -1.149 1.00 . A A . 4 ASP C 1 1 21 2215 1 1 5 ASP CA C -0.534 3.012 -2.201 1.00 . A A . 4 ASP CA 1 1 21 2216 1 1 5 ASP CB C -1.971 3.573 -2.013 1.00 . A A . 4 ASP CB 1 1 21 2217 1 1 5 ASP CG C -2.447 3.408 -0.559 1.00 . A A . 4 ASP CG 1 1 21 2218 1 1 5 ASP H H -0.684 1.224 -1.083 1.00 . A A . 4 ASP H 1 1 21 2219 1 1 5 ASP HA H -0.142 3.227 -3.170 1.00 . A A . 4 ASP HA 1 1 21 2220 1 1 5 ASP HB2 H -1.984 4.621 -2.275 1.00 . A A . 4 ASP HB2 1 1 21 2221 1 1 5 ASP HB3 H -2.659 3.050 -2.662 1.00 . A A . 4 ASP HB3 1 1 21 2222 1 1 5 ASP N N -0.527 1.540 -1.989 1.00 . A A . 4 ASP N 1 1 21 2223 1 1 5 ASP O O 1.222 4.459 -1.438 1.00 . A A . 4 ASP O 1 1 21 2224 1 1 5 ASP OD1 O -2.536 2.264 -0.147 1.00 . A A . 4 ASP OD1 1 1 21 2225 1 1 5 ASP OD2 O -2.689 4.427 0.061 1.00 . A A . 4 ASP OD2 1 1 21 2226 1 1 6 ALA C C 2.203 2.549 1.444 1.00 . A A . 5 ALA C 1 1 21 2227 1 1 6 ALA CA C 1.077 3.546 1.211 1.00 . A A . 5 ALA CA 1 1 21 2228 1 1 6 ALA CB C 0.188 3.616 2.467 1.00 . A A . 5 ALA CB 1 1 21 2229 1 1 6 ALA H H -0.441 2.414 0.178 1.00 . A A . 5 ALA H 1 1 21 2230 1 1 6 ALA HA H 1.503 4.510 1.001 1.00 . A A . 5 ALA HA 1 1 21 2231 1 1 6 ALA HB1 H -0.237 2.641 2.639 1.00 . A A . 5 ALA HB1 1 1 21 2232 1 1 6 ALA HB2 H 0.743 3.889 3.357 1.00 . A A . 5 ALA HB2 1 1 21 2233 1 1 6 ALA HB3 H -0.617 4.322 2.323 1.00 . A A . 5 ALA HB3 1 1 21 2234 1 1 6 ALA N N 0.250 3.101 0.049 1.00 . A A . 5 ALA N 1 1 21 2235 1 1 6 ALA O O 3.359 2.919 1.477 1.00 . A A . 5 ALA O 1 1 21 2236 1 1 7 ASP C C 2.049 -0.467 3.170 1.00 . A A . 6 ASP C 1 1 21 2237 1 1 7 ASP CA C 2.559 0.080 1.841 1.00 . A A . 6 ASP CA 1 1 21 2238 1 1 7 ASP CB C 4.084 0.356 1.974 1.00 . A A . 6 ASP CB 1 1 21 2239 1 1 7 ASP CG C 4.832 -0.941 2.321 1.00 . A A . 6 ASP CG 1 1 21 2240 1 1 7 ASP H H 0.787 1.234 1.522 1.00 . A A . 6 ASP H 1 1 21 2241 1 1 7 ASP HA H 2.371 -0.645 1.083 1.00 . A A . 6 ASP HA 1 1 21 2242 1 1 7 ASP HB2 H 4.466 0.728 1.035 1.00 . A A . 6 ASP HB2 1 1 21 2243 1 1 7 ASP HB3 H 4.270 1.090 2.737 1.00 . A A . 6 ASP HB3 1 1 21 2244 1 1 7 ASP N N 1.757 1.329 1.587 1.00 . A A . 6 ASP N 1 1 21 2245 1 1 7 ASP O O 2.065 -1.651 3.442 1.00 . A A . 6 ASP O 1 1 21 2246 1 1 7 ASP OD1 O 4.808 -1.826 1.481 1.00 . A A . 6 ASP OD1 1 1 21 2247 1 1 7 ASP OD2 O 5.382 -0.974 3.411 1.00 . A A . 6 ASP OD2 1 1 21 2248 1 1 8 PHE C C -0.374 0.800 5.485 1.00 . A A . 7 PHE C 1 1 21 2249 1 1 8 PHE CA C 1.053 0.264 5.306 1.00 . A A . 7 PHE CA 1 1 21 2250 1 1 8 PHE CB C 2.027 0.932 6.277 1.00 . A A . 7 PHE CB 1 1 21 2251 1 1 8 PHE CD1 C 2.000 3.386 5.526 1.00 . A A . 7 PHE CD1 1 1 21 2252 1 1 8 PHE CD2 C 3.881 2.032 5.001 1.00 . A A . 7 PHE CD2 1 1 21 2253 1 1 8 PHE CE1 C 2.597 4.459 4.897 1.00 . A A . 7 PHE CE1 1 1 21 2254 1 1 8 PHE CE2 C 4.482 3.100 4.371 1.00 . A A . 7 PHE CE2 1 1 21 2255 1 1 8 PHE CG C 2.641 2.167 5.585 1.00 . A A . 7 PHE CG 1 1 21 2256 1 1 8 PHE CZ C 3.840 4.318 4.319 1.00 . A A . 7 PHE CZ 1 1 21 2257 1 1 8 PHE H H 1.640 1.397 3.613 1.00 . A A . 7 PHE H 1 1 21 2258 1 1 8 PHE HA H 1.052 -0.788 5.488 1.00 . A A . 7 PHE HA 1 1 21 2259 1 1 8 PHE HB2 H 1.517 1.249 7.176 1.00 . A A . 7 PHE HB2 1 1 21 2260 1 1 8 PHE HB3 H 2.814 0.242 6.545 1.00 . A A . 7 PHE HB3 1 1 21 2261 1 1 8 PHE HD1 H 1.017 3.497 5.955 1.00 . A A . 7 PHE HD1 1 1 21 2262 1 1 8 PHE HD2 H 4.361 1.062 5.020 1.00 . A A . 7 PHE HD2 1 1 21 2263 1 1 8 PHE HE1 H 2.086 5.409 4.856 1.00 . A A . 7 PHE HE1 1 1 21 2264 1 1 8 PHE HE2 H 5.456 2.979 3.918 1.00 . A A . 7 PHE HE2 1 1 21 2265 1 1 8 PHE HZ H 4.310 5.156 3.826 1.00 . A A . 7 PHE HZ 1 1 21 2266 1 1 8 PHE N N 1.607 0.479 3.945 1.00 . A A . 7 PHE N 1 1 21 2267 1 1 8 PHE O O -0.813 1.502 4.595 1.00 . A A . 7 PHE O 1 1 21 2268 1 1 8 PHE OXT O -0.948 0.482 6.511 1.00 . A A . 7 PHE OXT 1 1 22 2269 1 1 2 PHE C C -4.042 -2.213 0.615 1.00 . A A . 1 PHE C 1 1 22 2270 1 1 2 PHE CA C -4.417 -3.672 0.824 1.00 . A A . 1 PHE CA 1 1 22 2271 1 1 2 PHE CB C -3.825 -4.281 2.148 1.00 . A A . 1 PHE CB 1 1 22 2272 1 1 2 PHE CD1 C -1.660 -5.193 1.194 1.00 . A A . 1 PHE CD1 1 1 22 2273 1 1 2 PHE CD2 C -1.532 -3.814 3.114 1.00 . A A . 1 PHE CD2 1 1 22 2274 1 1 2 PHE CE1 C -0.293 -5.335 1.190 1.00 . A A . 1 PHE CE1 1 1 22 2275 1 1 2 PHE CE2 C -0.159 -3.948 3.120 1.00 . A A . 1 PHE CE2 1 1 22 2276 1 1 2 PHE CG C -2.294 -4.437 2.150 1.00 . A A . 1 PHE CG 1 1 22 2277 1 1 2 PHE CZ C 0.464 -4.710 2.157 1.00 . A A . 1 PHE CZ 1 1 22 2278 1 1 2 PHE H H -2.974 -4.443 -0.525 1.00 . A A . 1 PHE H 1 1 22 2279 1 1 2 PHE HA H -5.467 -3.747 0.860 1.00 . A A . 1 PHE HA 1 1 22 2280 1 1 2 PHE HB2 H -4.109 -3.649 2.974 1.00 . A A . 1 PHE HB2 1 1 22 2281 1 1 2 PHE HB3 H -4.257 -5.259 2.295 1.00 . A A . 1 PHE HB3 1 1 22 2282 1 1 2 PHE HD1 H -2.243 -5.678 0.431 1.00 . A A . 1 PHE HD1 1 1 22 2283 1 1 2 PHE HD2 H -2.016 -3.207 3.866 1.00 . A A . 1 PHE HD2 1 1 22 2284 1 1 2 PHE HE1 H 0.168 -5.933 0.419 1.00 . A A . 1 PHE HE1 1 1 22 2285 1 1 2 PHE HE2 H 0.427 -3.454 3.882 1.00 . A A . 1 PHE HE2 1 1 22 2286 1 1 2 PHE HZ H 1.541 -4.814 2.162 1.00 . A A . 1 PHE HZ 1 1 22 2287 1 1 2 PHE N N -3.921 -4.484 -0.301 1.00 . A A . 1 PHE N 1 1 22 2288 1 1 2 PHE O O -4.832 -1.447 0.103 1.00 . A A . 1 PHE O 1 1 22 2289 1 1 3 THR C C -1.141 -0.458 -0.054 1.00 . A A . 2 THR C 1 1 22 2290 1 1 3 THR CA C -2.332 -0.506 0.881 1.00 . A A . 2 THR CA 1 1 22 2291 1 1 3 THR CB C -1.978 -0.044 2.281 1.00 . A A . 2 THR CB 1 1 22 2292 1 1 3 THR CG2 C -3.206 -0.214 3.148 1.00 . A A . 2 THR CG2 1 1 22 2293 1 1 3 THR H H -2.287 -2.545 1.428 1.00 . A A . 2 THR H 1 1 22 2294 1 1 3 THR HA H -3.104 0.136 0.487 1.00 . A A . 2 THR HA 1 1 22 2295 1 1 3 THR HB H -1.554 0.946 2.283 1.00 . A A . 2 THR HB 1 1 22 2296 1 1 3 THR HG1 H -0.402 -0.502 3.313 1.00 . A A . 2 THR HG1 1 1 22 2297 1 1 3 THR HG21 H -3.504 -1.259 3.113 1.00 . A A . 2 THR HG21 1 1 22 2298 1 1 3 THR HG22 H -2.997 0.089 4.161 1.00 . A A . 2 THR HG22 1 1 22 2299 1 1 3 THR HG23 H -3.991 0.403 2.736 1.00 . A A . 2 THR HG23 1 1 22 2300 1 1 3 THR N N -2.853 -1.881 1.012 1.00 . A A . 2 THR N 1 1 22 2301 1 1 3 THR O O -0.043 -0.085 0.312 1.00 . A A . 2 THR O 1 1 22 2302 1 1 3 THR OG1 O -1.056 -0.992 2.800 1.00 . A A . 2 THR OG1 1 1 22 2303 1 1 4 LEU C C -0.311 0.576 -2.934 1.00 . A A . 3 LEU C 1 1 22 2304 1 1 4 LEU CA C -0.312 -0.840 -2.316 1.00 . A A . 3 LEU CA 1 1 22 2305 1 1 4 LEU CB C -0.651 -1.921 -3.366 1.00 . A A . 3 LEU CB 1 1 22 2306 1 1 4 LEU CD1 C -0.990 -3.542 -1.392 1.00 . A A . 3 LEU CD1 1 1 22 2307 1 1 4 LEU CD2 C -1.129 -4.376 -3.735 1.00 . A A . 3 LEU CD2 1 1 22 2308 1 1 4 LEU CG C -0.420 -3.365 -2.812 1.00 . A A . 3 LEU CG 1 1 22 2309 1 1 4 LEU H H -2.302 -1.155 -1.482 1.00 . A A . 3 LEU H 1 1 22 2310 1 1 4 LEU HA H 0.645 -1.035 -1.852 1.00 . A A . 3 LEU HA 1 1 22 2311 1 1 4 LEU HB2 H -1.679 -1.797 -3.677 1.00 . A A . 3 LEU HB2 1 1 22 2312 1 1 4 LEU HB3 H -0.022 -1.773 -4.233 1.00 . A A . 3 LEU HB3 1 1 22 2313 1 1 4 LEU HD11 H -2.035 -3.274 -1.379 1.00 . A A . 3 LEU HD11 1 1 22 2314 1 1 4 LEU HD12 H -0.876 -4.570 -1.085 1.00 . A A . 3 LEU HD12 1 1 22 2315 1 1 4 LEU HD13 H -0.468 -2.915 -0.680 1.00 . A A . 3 LEU HD13 1 1 22 2316 1 1 4 LEU HD21 H -0.733 -4.309 -4.737 1.00 . A A . 3 LEU HD21 1 1 22 2317 1 1 4 LEU HD22 H -0.977 -5.382 -3.371 1.00 . A A . 3 LEU HD22 1 1 22 2318 1 1 4 LEU HD23 H -2.191 -4.175 -3.766 1.00 . A A . 3 LEU HD23 1 1 22 2319 1 1 4 LEU HG H 0.641 -3.576 -2.798 1.00 . A A . 3 LEU HG 1 1 22 2320 1 1 4 LEU N N -1.395 -0.846 -1.273 1.00 . A A . 3 LEU N 1 1 22 2321 1 1 4 LEU O O -0.146 0.789 -4.119 1.00 . A A . 3 LEU O 1 1 22 2322 1 1 5 ASP C C 0.346 3.585 -1.151 1.00 . A A . 4 ASP C 1 1 22 2323 1 1 5 ASP CA C -0.573 2.952 -2.197 1.00 . A A . 4 ASP CA 1 1 22 2324 1 1 5 ASP CB C -2.052 3.389 -2.020 1.00 . A A . 4 ASP CB 1 1 22 2325 1 1 5 ASP CG C -2.735 2.564 -0.909 1.00 . A A . 4 ASP CG 1 1 22 2326 1 1 5 ASP H H -0.620 1.170 -1.105 1.00 . A A . 4 ASP H 1 1 22 2327 1 1 5 ASP HA H -0.201 3.197 -3.169 1.00 . A A . 4 ASP HA 1 1 22 2328 1 1 5 ASP HB2 H -2.100 4.434 -1.752 1.00 . A A . 4 ASP HB2 1 1 22 2329 1 1 5 ASP HB3 H -2.586 3.251 -2.949 1.00 . A A . 4 ASP HB3 1 1 22 2330 1 1 5 ASP N N -0.505 1.483 -2.016 1.00 . A A . 4 ASP N 1 1 22 2331 1 1 5 ASP O O 1.092 4.500 -1.440 1.00 . A A . 4 ASP O 1 1 22 2332 1 1 5 ASP OD1 O -2.425 2.788 0.248 1.00 . A A . 4 ASP OD1 1 1 22 2333 1 1 5 ASP OD2 O -3.537 1.731 -1.292 1.00 . A A . 4 ASP OD2 1 1 22 2334 1 1 6 ALA C C 2.222 2.590 1.437 1.00 . A A . 5 ALA C 1 1 22 2335 1 1 6 ALA CA C 1.069 3.547 1.191 1.00 . A A . 5 ALA CA 1 1 22 2336 1 1 6 ALA CB C 0.231 3.600 2.467 1.00 . A A . 5 ALA CB 1 1 22 2337 1 1 6 ALA H H -0.394 2.329 0.175 1.00 . A A . 5 ALA H 1 1 22 2338 1 1 6 ALA HA H 1.469 4.520 0.967 1.00 . A A . 5 ALA HA 1 1 22 2339 1 1 6 ALA HB1 H -0.155 2.613 2.678 1.00 . A A . 5 ALA HB1 1 1 22 2340 1 1 6 ALA HB2 H 0.848 3.890 3.306 1.00 . A A . 5 ALA HB2 1 1 22 2341 1 1 6 ALA HB3 H -0.597 4.285 2.366 1.00 . A A . 5 ALA HB3 1 1 22 2342 1 1 6 ALA N N 0.248 3.060 0.041 1.00 . A A . 5 ALA N 1 1 22 2343 1 1 6 ALA O O 3.369 2.987 1.458 1.00 . A A . 5 ALA O 1 1 22 2344 1 1 7 ASP C C 2.061 -0.453 3.160 1.00 . A A . 6 ASP C 1 1 22 2345 1 1 7 ASP CA C 2.632 0.148 1.878 1.00 . A A . 6 ASP CA 1 1 22 2346 1 1 7 ASP CB C 4.129 0.473 2.137 1.00 . A A . 6 ASP CB 1 1 22 2347 1 1 7 ASP CG C 4.895 -0.817 2.479 1.00 . A A . 6 ASP CG 1 1 22 2348 1 1 7 ASP H H 0.831 1.246 1.550 1.00 . A A . 6 ASP H 1 1 22 2349 1 1 7 ASP HA H 2.502 -0.554 1.078 1.00 . A A . 6 ASP HA 1 1 22 2350 1 1 7 ASP HB2 H 4.571 0.903 1.251 1.00 . A A . 6 ASP HB2 1 1 22 2351 1 1 7 ASP HB3 H 4.223 1.173 2.955 1.00 . A A . 6 ASP HB3 1 1 22 2352 1 1 7 ASP N N 1.800 1.367 1.607 1.00 . A A . 6 ASP N 1 1 22 2353 1 1 7 ASP O O 2.059 -1.651 3.362 1.00 . A A . 6 ASP O 1 1 22 2354 1 1 7 ASP OD1 O 4.964 -1.658 1.597 1.00 . A A . 6 ASP OD1 1 1 22 2355 1 1 7 ASP OD2 O 5.365 -0.886 3.604 1.00 . A A . 6 ASP OD2 1 1 22 2356 1 1 8 PHE C C -0.443 0.639 5.451 1.00 . A A . 7 PHE C 1 1 22 2357 1 1 8 PHE CA C 0.987 0.105 5.291 1.00 . A A . 7 PHE CA 1 1 22 2358 1 1 8 PHE CB C 1.887 0.672 6.400 1.00 . A A . 7 PHE CB 1 1 22 2359 1 1 8 PHE CD1 C 2.333 2.944 5.333 1.00 . A A . 7 PHE CD1 1 1 22 2360 1 1 8 PHE CD2 C 1.372 2.874 7.507 1.00 . A A . 7 PHE CD2 1 1 22 2361 1 1 8 PHE CE1 C 2.310 4.323 5.365 1.00 . A A . 7 PHE CE1 1 1 22 2362 1 1 8 PHE CE2 C 1.345 4.252 7.544 1.00 . A A . 7 PHE CE2 1 1 22 2363 1 1 8 PHE CG C 1.866 2.210 6.405 1.00 . A A . 7 PHE CG 1 1 22 2364 1 1 8 PHE CZ C 1.816 4.979 6.472 1.00 . A A . 7 PHE CZ 1 1 22 2365 1 1 8 PHE H H 1.627 1.380 3.700 1.00 . A A . 7 PHE H 1 1 22 2366 1 1 8 PHE HA H 0.967 -0.952 5.372 1.00 . A A . 7 PHE HA 1 1 22 2367 1 1 8 PHE HB2 H 1.545 0.307 7.357 1.00 . A A . 7 PHE HB2 1 1 22 2368 1 1 8 PHE HB3 H 2.904 0.340 6.247 1.00 . A A . 7 PHE HB3 1 1 22 2369 1 1 8 PHE HD1 H 2.712 2.431 4.462 1.00 . A A . 7 PHE HD1 1 1 22 2370 1 1 8 PHE HD2 H 1.001 2.296 8.340 1.00 . A A . 7 PHE HD2 1 1 22 2371 1 1 8 PHE HE1 H 2.680 4.887 4.522 1.00 . A A . 7 PHE HE1 1 1 22 2372 1 1 8 PHE HE2 H 0.956 4.759 8.414 1.00 . A A . 7 PHE HE2 1 1 22 2373 1 1 8 PHE HZ H 1.796 6.059 6.499 1.00 . A A . 7 PHE HZ 1 1 22 2374 1 1 8 PHE N N 1.588 0.449 3.977 1.00 . A A . 7 PHE N 1 1 22 2375 1 1 8 PHE O O -0.812 1.468 4.641 1.00 . A A . 7 PHE O 1 1 22 2376 1 1 8 PHE OXT O -1.088 0.189 6.383 1.00 . A A . 7 PHE OXT 1 1 23 2377 1 1 2 PHE C C -4.088 -2.287 0.655 1.00 . A A . 1 PHE C 1 1 23 2378 1 1 2 PHE CA C -4.487 -3.734 0.911 1.00 . A A . 1 PHE CA 1 1 23 2379 1 1 2 PHE CB C -3.720 -4.399 2.121 1.00 . A A . 1 PHE CB 1 1 23 2380 1 1 2 PHE CD1 C -1.770 -5.384 0.808 1.00 . A A . 1 PHE CD1 1 1 23 2381 1 1 2 PHE CD2 C -1.279 -4.023 2.686 1.00 . A A . 1 PHE CD2 1 1 23 2382 1 1 2 PHE CE1 C -0.425 -5.571 0.583 1.00 . A A . 1 PHE CE1 1 1 23 2383 1 1 2 PHE CE2 C 0.070 -4.204 2.468 1.00 . A A . 1 PHE CE2 1 1 23 2384 1 1 2 PHE CG C -2.212 -4.612 1.860 1.00 . A A . 1 PHE CG 1 1 23 2385 1 1 2 PHE CZ C 0.500 -4.979 1.413 1.00 . A A . 1 PHE CZ 1 1 23 2386 1 1 2 PHE H H -3.272 -4.441 -0.656 1.00 . A A . 1 PHE H 1 1 23 2387 1 1 2 PHE HA H -5.530 -3.788 1.083 1.00 . A A . 1 PHE HA 1 1 23 2388 1 1 2 PHE HB2 H -3.837 -3.774 2.995 1.00 . A A . 1 PHE HB2 1 1 23 2389 1 1 2 PHE HB3 H -4.165 -5.360 2.336 1.00 . A A . 1 PHE HB3 1 1 23 2390 1 1 2 PHE HD1 H -2.489 -5.841 0.150 1.00 . A A . 1 PHE HD1 1 1 23 2391 1 1 2 PHE HD2 H -1.611 -3.409 3.509 1.00 . A A . 1 PHE HD2 1 1 23 2392 1 1 2 PHE HE1 H -0.105 -6.181 -0.249 1.00 . A A . 1 PHE HE1 1 1 23 2393 1 1 2 PHE HE2 H 0.787 -3.733 3.124 1.00 . A A . 1 PHE HE2 1 1 23 2394 1 1 2 PHE HZ H 1.558 -5.119 1.243 1.00 . A A . 1 PHE HZ 1 1 23 2395 1 1 2 PHE N N -4.176 -4.509 -0.298 1.00 . A A . 1 PHE N 1 1 23 2396 1 1 2 PHE O O -4.855 -1.532 0.092 1.00 . A A . 1 PHE O 1 1 23 2397 1 1 3 THR C C -1.156 -0.515 -0.032 1.00 . A A . 2 THR C 1 1 23 2398 1 1 3 THR CA C -2.356 -0.588 0.899 1.00 . A A . 2 THR CA 1 1 23 2399 1 1 3 THR CB C -2.008 -0.095 2.292 1.00 . A A . 2 THR CB 1 1 23 2400 1 1 3 THR CG2 C -3.252 -0.195 3.136 1.00 . A A . 2 THR CG2 1 1 23 2401 1 1 3 THR H H -2.353 -2.600 1.525 1.00 . A A . 2 THR H 1 1 23 2402 1 1 3 THR HA H -3.132 0.042 0.492 1.00 . A A . 2 THR HA 1 1 23 2403 1 1 3 THR HB H -1.529 0.870 2.283 1.00 . A A . 2 THR HB 1 1 23 2404 1 1 3 THR HG1 H -0.460 -0.631 3.343 1.00 . A A . 2 THR HG1 1 1 23 2405 1 1 3 THR HG21 H -3.567 -1.234 3.138 1.00 . A A . 2 THR HG21 1 1 23 2406 1 1 3 THR HG22 H -3.057 0.148 4.138 1.00 . A A . 2 THR HG22 1 1 23 2407 1 1 3 THR HG23 H -4.013 0.422 2.683 1.00 . A A . 2 THR HG23 1 1 23 2408 1 1 3 THR N N -2.905 -1.950 1.067 1.00 . A A . 2 THR N 1 1 23 2409 1 1 3 THR O O -0.067 -0.142 0.361 1.00 . A A . 2 THR O 1 1 23 2410 1 1 3 THR OG1 O -1.142 -1.083 2.834 1.00 . A A . 2 THR OG1 1 1 23 2411 1 1 4 LEU C C -0.224 0.602 -2.848 1.00 . A A . 3 LEU C 1 1 23 2412 1 1 4 LEU CA C -0.249 -0.821 -2.251 1.00 . A A . 3 LEU CA 1 1 23 2413 1 1 4 LEU CB C -0.484 -1.873 -3.367 1.00 . A A . 3 LEU CB 1 1 23 2414 1 1 4 LEU CD1 C 0.858 -3.624 -2.067 1.00 . A A . 3 LEU CD1 1 1 23 2415 1 1 4 LEU CD2 C -1.653 -3.669 -1.940 1.00 . A A . 3 LEU CD2 1 1 23 2416 1 1 4 LEU CG C -0.450 -3.349 -2.848 1.00 . A A . 3 LEU CG 1 1 23 2417 1 1 4 LEU H H -2.270 -1.187 -1.522 1.00 . A A . 3 LEU H 1 1 23 2418 1 1 4 LEU HA H 0.691 -0.993 -1.748 1.00 . A A . 3 LEU HA 1 1 23 2419 1 1 4 LEU HB2 H -1.436 -1.678 -3.840 1.00 . A A . 3 LEU HB2 1 1 23 2420 1 1 4 LEU HB3 H 0.284 -1.753 -4.119 1.00 . A A . 3 LEU HB3 1 1 23 2421 1 1 4 LEU HD11 H 1.717 -3.434 -2.695 1.00 . A A . 3 LEU HD11 1 1 23 2422 1 1 4 LEU HD12 H 0.924 -2.993 -1.190 1.00 . A A . 3 LEU HD12 1 1 23 2423 1 1 4 LEU HD13 H 0.892 -4.654 -1.745 1.00 . A A . 3 LEU HD13 1 1 23 2424 1 1 4 LEU HD21 H -2.579 -3.472 -2.460 1.00 . A A . 3 LEU HD21 1 1 23 2425 1 1 4 LEU HD22 H -1.624 -4.714 -1.673 1.00 . A A . 3 LEU HD22 1 1 23 2426 1 1 4 LEU HD23 H -1.631 -3.092 -1.026 1.00 . A A . 3 LEU HD23 1 1 23 2427 1 1 4 LEU HG H -0.481 -4.010 -3.703 1.00 . A A . 3 LEU HG 1 1 23 2428 1 1 4 LEU N N -1.376 -0.875 -1.266 1.00 . A A . 3 LEU N 1 1 23 2429 1 1 4 LEU O O 0.004 0.818 -4.022 1.00 . A A . 3 LEU O 1 1 23 2430 1 1 5 ASP C C 0.406 3.612 -1.154 1.00 . A A . 4 ASP C 1 1 23 2431 1 1 5 ASP CA C -0.515 2.985 -2.204 1.00 . A A . 4 ASP CA 1 1 23 2432 1 1 5 ASP CB C -1.968 3.517 -2.040 1.00 . A A . 4 ASP CB 1 1 23 2433 1 1 5 ASP CG C -2.455 3.374 -0.589 1.00 . A A . 4 ASP CG 1 1 23 2434 1 1 5 ASP H H -0.646 1.227 -1.040 1.00 . A A . 4 ASP H 1 1 23 2435 1 1 5 ASP HA H -0.117 3.186 -3.174 1.00 . A A . 4 ASP HA 1 1 23 2436 1 1 5 ASP HB2 H -2.001 4.559 -2.326 1.00 . A A . 4 ASP HB2 1 1 23 2437 1 1 5 ASP HB3 H -2.636 2.965 -2.684 1.00 . A A . 4 ASP HB3 1 1 23 2438 1 1 5 ASP N N -0.472 1.519 -1.951 1.00 . A A . 4 ASP N 1 1 23 2439 1 1 5 ASP O O 1.212 4.473 -1.446 1.00 . A A . 4 ASP O 1 1 23 2440 1 1 5 ASP OD1 O -2.524 2.239 -0.152 1.00 . A A . 4 ASP OD1 1 1 23 2441 1 1 5 ASP OD2 O -2.724 4.402 0.006 1.00 . A A . 4 ASP OD2 1 1 23 2442 1 1 6 ALA C C 2.198 2.655 1.447 1.00 . A A . 5 ALA C 1 1 23 2443 1 1 6 ALA CA C 1.037 3.605 1.217 1.00 . A A . 5 ALA CA 1 1 23 2444 1 1 6 ALA CB C 0.180 3.613 2.484 1.00 . A A . 5 ALA CB 1 1 23 2445 1 1 6 ALA H H -0.449 2.440 0.183 1.00 . A A . 5 ALA H 1 1 23 2446 1 1 6 ALA HA H 1.422 4.589 1.014 1.00 . A A . 5 ALA HA 1 1 23 2447 1 1 6 ALA HB1 H -0.189 2.617 2.683 1.00 . A A . 5 ALA HB1 1 1 23 2448 1 1 6 ALA HB2 H 0.785 3.903 3.329 1.00 . A A . 5 ALA HB2 1 1 23 2449 1 1 6 ALA HB3 H -0.658 4.287 2.385 1.00 . A A . 5 ALA HB3 1 1 23 2450 1 1 6 ALA N N 0.236 3.130 0.051 1.00 . A A . 5 ALA N 1 1 23 2451 1 1 6 ALA O O 3.339 3.067 1.518 1.00 . A A . 5 ALA O 1 1 23 2452 1 1 7 ASP C C 2.070 -0.420 3.064 1.00 . A A . 6 ASP C 1 1 23 2453 1 1 7 ASP CA C 2.627 0.200 1.786 1.00 . A A . 6 ASP CA 1 1 23 2454 1 1 7 ASP CB C 4.126 0.523 2.030 1.00 . A A . 6 ASP CB 1 1 23 2455 1 1 7 ASP CG C 4.899 -0.777 2.304 1.00 . A A . 6 ASP CG 1 1 23 2456 1 1 7 ASP H H 0.824 1.292 1.461 1.00 . A A . 6 ASP H 1 1 23 2457 1 1 7 ASP HA H 2.486 -0.488 0.974 1.00 . A A . 6 ASP HA 1 1 23 2458 1 1 7 ASP HB2 H 4.549 0.992 1.154 1.00 . A A . 6 ASP HB2 1 1 23 2459 1 1 7 ASP HB3 H 4.232 1.189 2.874 1.00 . A A . 6 ASP HB3 1 1 23 2460 1 1 7 ASP N N 1.788 1.421 1.549 1.00 . A A . 6 ASP N 1 1 23 2461 1 1 7 ASP O O 2.082 -1.620 3.257 1.00 . A A . 6 ASP O 1 1 23 2462 1 1 7 ASP OD1 O 4.950 -1.582 1.386 1.00 . A A . 6 ASP OD1 1 1 23 2463 1 1 7 ASP OD2 O 5.393 -0.892 3.414 1.00 . A A . 6 ASP OD2 1 1 23 2464 1 1 8 PHE C C -0.461 0.557 5.304 1.00 . A A . 7 PHE C 1 1 23 2465 1 1 8 PHE CA C 1.002 0.114 5.202 1.00 . A A . 7 PHE CA 1 1 23 2466 1 1 8 PHE CB C 1.848 0.763 6.319 1.00 . A A . 7 PHE CB 1 1 23 2467 1 1 8 PHE CD1 C 2.333 3.003 5.216 1.00 . A A . 7 PHE CD1 1 1 23 2468 1 1 8 PHE CD2 C 1.265 2.990 7.340 1.00 . A A . 7 PHE CD2 1 1 23 2469 1 1 8 PHE CE1 C 2.307 4.382 5.209 1.00 . A A . 7 PHE CE1 1 1 23 2470 1 1 8 PHE CE2 C 1.235 4.370 7.337 1.00 . A A . 7 PHE CE2 1 1 23 2471 1 1 8 PHE CG C 1.814 2.299 6.282 1.00 . A A . 7 PHE CG 1 1 23 2472 1 1 8 PHE CZ C 1.758 5.068 6.271 1.00 . A A . 7 PHE CZ 1 1 23 2473 1 1 8 PHE H H 1.620 1.406 3.625 1.00 . A A . 7 PHE H 1 1 23 2474 1 1 8 PHE HA H 1.066 -0.940 5.311 1.00 . A A . 7 PHE HA 1 1 23 2475 1 1 8 PHE HB2 H 1.478 0.425 7.276 1.00 . A A . 7 PHE HB2 1 1 23 2476 1 1 8 PHE HB3 H 2.874 0.441 6.219 1.00 . A A . 7 PHE HB3 1 1 23 2477 1 1 8 PHE HD1 H 2.750 2.462 4.380 1.00 . A A . 7 PHE HD1 1 1 23 2478 1 1 8 PHE HD2 H 0.852 2.436 8.170 1.00 . A A . 7 PHE HD2 1 1 23 2479 1 1 8 PHE HE1 H 2.719 4.924 4.369 1.00 . A A . 7 PHE HE1 1 1 23 2480 1 1 8 PHE HE2 H 0.802 4.901 8.172 1.00 . A A . 7 PHE HE2 1 1 23 2481 1 1 8 PHE HZ H 1.736 6.147 6.266 1.00 . A A . 7 PHE HZ 1 1 23 2482 1 1 8 PHE N N 1.592 0.470 3.892 1.00 . A A . 7 PHE N 1 1 23 2483 1 1 8 PHE O O -1.228 -0.252 5.795 1.00 . A A . 7 PHE O 1 1 23 2484 1 1 8 PHE OXT O -0.733 1.670 4.892 1.00 . A A . 7 PHE OXT 1 1 24 2485 1 1 2 PHE C C -3.960 -2.127 0.646 1.00 . A A . 1 PHE C 1 1 24 2486 1 1 2 PHE CA C -4.590 -3.516 0.633 1.00 . A A . 1 PHE CA 1 1 24 2487 1 1 2 PHE CB C -3.933 -4.492 1.682 1.00 . A A . 1 PHE CB 1 1 24 2488 1 1 2 PHE CD1 C -2.272 -5.644 0.133 1.00 . A A . 1 PHE CD1 1 1 24 2489 1 1 2 PHE CD2 C -1.447 -4.676 2.134 1.00 . A A . 1 PHE CD2 1 1 24 2490 1 1 2 PHE CE1 C -1.002 -6.054 -0.202 1.00 . A A . 1 PHE CE1 1 1 24 2491 1 1 2 PHE CE2 C -0.170 -5.083 1.807 1.00 . A A . 1 PHE CE2 1 1 24 2492 1 1 2 PHE CG C -2.510 -4.952 1.301 1.00 . A A . 1 PHE CG 1 1 24 2493 1 1 2 PHE CZ C 0.054 -5.775 0.637 1.00 . A A . 1 PHE CZ 1 1 24 2494 1 1 2 PHE H H -3.592 -4.207 -1.109 1.00 . A A . 1 PHE H 1 1 24 2495 1 1 2 PHE HA H -5.615 -3.423 0.867 1.00 . A A . 1 PHE HA 1 1 24 2496 1 1 2 PHE HB2 H -3.894 -3.999 2.643 1.00 . A A . 1 PHE HB2 1 1 24 2497 1 1 2 PHE HB3 H -4.554 -5.368 1.785 1.00 . A A . 1 PHE HB3 1 1 24 2498 1 1 2 PHE HD1 H -3.092 -5.860 -0.535 1.00 . A A . 1 PHE HD1 1 1 24 2499 1 1 2 PHE HD2 H -1.618 -4.130 3.050 1.00 . A A . 1 PHE HD2 1 1 24 2500 1 1 2 PHE HE1 H -0.841 -6.596 -1.123 1.00 . A A . 1 PHE HE1 1 1 24 2501 1 1 2 PHE HE2 H 0.653 -4.858 2.470 1.00 . A A . 1 PHE HE2 1 1 24 2502 1 1 2 PHE HZ H 1.054 -6.094 0.379 1.00 . A A . 1 PHE HZ 1 1 24 2503 1 1 2 PHE N N -4.474 -4.140 -0.699 1.00 . A A . 1 PHE N 1 1 24 2504 1 1 2 PHE O O -4.647 -1.145 0.458 1.00 . A A . 1 PHE O 1 1 24 2505 1 1 3 THR C C -0.854 -0.729 -0.186 1.00 . A A . 2 THR C 1 1 24 2506 1 1 3 THR CA C -1.909 -0.827 0.911 1.00 . A A . 2 THR CA 1 1 24 2507 1 1 3 THR CB C -1.292 -0.760 2.309 1.00 . A A . 2 THR CB 1 1 24 2508 1 1 3 THR CG2 C -2.412 -0.927 3.317 1.00 . A A . 2 THR CG2 1 1 24 2509 1 1 3 THR H H -2.211 -2.926 1.024 1.00 . A A . 2 THR H 1 1 24 2510 1 1 3 THR HA H -2.587 0.007 0.800 1.00 . A A . 2 THR HA 1 1 24 2511 1 1 3 THR HB H -0.669 0.107 2.469 1.00 . A A . 2 THR HB 1 1 24 2512 1 1 3 THR HG1 H 0.363 -1.728 2.668 1.00 . A A . 2 THR HG1 1 1 24 2513 1 1 3 THR HG21 H -2.906 -1.874 3.126 1.00 . A A . 2 THR HG21 1 1 24 2514 1 1 3 THR HG22 H -2.031 -0.900 4.326 1.00 . A A . 2 THR HG22 1 1 24 2515 1 1 3 THR HG23 H -3.112 -0.116 3.174 1.00 . A A . 2 THR HG23 1 1 24 2516 1 1 3 THR N N -2.680 -2.095 0.865 1.00 . A A . 2 THR N 1 1 24 2517 1 1 3 THR O O 0.299 -0.453 0.081 1.00 . A A . 2 THR O 1 1 24 2518 1 1 3 THR OG1 O -0.541 -1.962 2.436 1.00 . A A . 2 THR OG1 1 1 24 2519 1 1 4 LEU C C -0.392 0.596 -3.049 1.00 . A A . 3 LEU C 1 1 24 2520 1 1 4 LEU CA C -0.278 -0.858 -2.543 1.00 . A A . 3 LEU CA 1 1 24 2521 1 1 4 LEU CB C -0.656 -1.838 -3.688 1.00 . A A . 3 LEU CB 1 1 24 2522 1 1 4 LEU CD1 C 0.590 -3.735 -2.489 1.00 . A A . 3 LEU CD1 1 1 24 2523 1 1 4 LEU CD2 C -1.939 -3.669 -2.437 1.00 . A A . 3 LEU CD2 1 1 24 2524 1 1 4 LEU CG C -0.687 -3.341 -3.270 1.00 . A A . 3 LEU CG 1 1 24 2525 1 1 4 LEU H H -2.206 -1.174 -1.570 1.00 . A A . 3 LEU H 1 1 24 2526 1 1 4 LEU HA H 0.728 -1.029 -2.188 1.00 . A A . 3 LEU HA 1 1 24 2527 1 1 4 LEU HB2 H -1.623 -1.556 -4.081 1.00 . A A . 3 LEU HB2 1 1 24 2528 1 1 4 LEU HB3 H 0.063 -1.717 -4.487 1.00 . A A . 3 LEU HB3 1 1 24 2529 1 1 4 LEU HD11 H 1.467 -3.554 -3.094 1.00 . A A . 3 LEU HD11 1 1 24 2530 1 1 4 LEU HD12 H 0.675 -3.164 -1.574 1.00 . A A . 3 LEU HD12 1 1 24 2531 1 1 4 LEU HD13 H 0.562 -4.783 -2.232 1.00 . A A . 3 LEU HD13 1 1 24 2532 1 1 4 LEU HD21 H -2.827 -3.405 -2.992 1.00 . A A . 3 LEU HD21 1 1 24 2533 1 1 4 LEU HD22 H -1.970 -4.728 -2.230 1.00 . A A . 3 LEU HD22 1 1 24 2534 1 1 4 LEU HD23 H -1.941 -3.142 -1.498 1.00 . A A . 3 LEU HD23 1 1 24 2535 1 1 4 LEU HG H -0.721 -3.936 -4.173 1.00 . A A . 3 LEU HG 1 1 24 2536 1 1 4 LEU N N -1.264 -0.949 -1.410 1.00 . A A . 3 LEU N 1 1 24 2537 1 1 4 LEU O O -0.312 0.899 -4.224 1.00 . A A . 3 LEU O 1 1 24 2538 1 1 5 ASP C C 0.185 3.552 -1.135 1.00 . A A . 4 ASP C 1 1 24 2539 1 1 5 ASP CA C -0.732 2.898 -2.167 1.00 . A A . 4 ASP CA 1 1 24 2540 1 1 5 ASP CB C -2.227 3.221 -1.919 1.00 . A A . 4 ASP CB 1 1 24 2541 1 1 5 ASP CG C -2.765 2.350 -0.765 1.00 . A A . 4 ASP CG 1 1 24 2542 1 1 5 ASP H H -0.617 1.060 -1.162 1.00 . A A . 4 ASP H 1 1 24 2543 1 1 5 ASP HA H -0.422 3.210 -3.142 1.00 . A A . 4 ASP HA 1 1 24 2544 1 1 5 ASP HB2 H -2.344 4.262 -1.654 1.00 . A A . 4 ASP HB2 1 1 24 2545 1 1 5 ASP HB3 H -2.800 3.027 -2.814 1.00 . A A . 4 ASP HB3 1 1 24 2546 1 1 5 ASP N N -0.576 1.429 -2.062 1.00 . A A . 4 ASP N 1 1 24 2547 1 1 5 ASP O O 0.869 4.517 -1.415 1.00 . A A . 4 ASP O 1 1 24 2548 1 1 5 ASP OD1 O -2.506 2.693 0.375 1.00 . A A . 4 ASP OD1 1 1 24 2549 1 1 5 ASP OD2 O -3.403 1.366 -1.100 1.00 . A A . 4 ASP OD2 1 1 24 2550 1 1 6 ALA C C 2.145 2.535 1.463 1.00 . A A . 5 ALA C 1 1 24 2551 1 1 6 ALA CA C 0.978 3.462 1.184 1.00 . A A . 5 ALA CA 1 1 24 2552 1 1 6 ALA CB C 0.125 3.533 2.450 1.00 . A A . 5 ALA CB 1 1 24 2553 1 1 6 ALA H H -0.440 2.206 0.154 1.00 . A A . 5 ALA H 1 1 24 2554 1 1 6 ALA HA H 1.365 4.439 0.959 1.00 . A A . 5 ALA HA 1 1 24 2555 1 1 6 ALA HB1 H -0.294 2.558 2.654 1.00 . A A . 5 ALA HB1 1 1 24 2556 1 1 6 ALA HB2 H 0.743 3.803 3.296 1.00 . A A . 5 ALA HB2 1 1 24 2557 1 1 6 ALA HB3 H -0.681 4.241 2.341 1.00 . A A . 5 ALA HB3 1 1 24 2558 1 1 6 ALA N N 0.154 2.977 0.037 1.00 . A A . 5 ALA N 1 1 24 2559 1 1 6 ALA O O 3.285 2.955 1.456 1.00 . A A . 5 ALA O 1 1 24 2560 1 1 7 ASP C C 2.097 -0.378 3.360 1.00 . A A . 6 ASP C 1 1 24 2561 1 1 7 ASP CA C 2.615 0.130 2.017 1.00 . A A . 6 ASP CA 1 1 24 2562 1 1 7 ASP CB C 4.113 0.494 2.199 1.00 . A A . 6 ASP CB 1 1 24 2563 1 1 7 ASP CG C 4.910 -0.759 2.597 1.00 . A A . 6 ASP CG 1 1 24 2564 1 1 7 ASP H H 0.784 1.169 1.648 1.00 . A A . 6 ASP H 1 1 24 2565 1 1 7 ASP HA H 2.473 -0.630 1.275 1.00 . A A . 6 ASP HA 1 1 24 2566 1 1 7 ASP HB2 H 4.516 0.873 1.272 1.00 . A A . 6 ASP HB2 1 1 24 2567 1 1 7 ASP HB3 H 4.222 1.248 2.967 1.00 . A A . 6 ASP HB3 1 1 24 2568 1 1 7 ASP N N 1.749 1.313 1.694 1.00 . A A . 6 ASP N 1 1 24 2569 1 1 7 ASP O O 2.114 -1.559 3.650 1.00 . A A . 6 ASP O 1 1 24 2570 1 1 7 ASP OD1 O 4.956 -1.659 1.775 1.00 . A A . 6 ASP OD1 1 1 24 2571 1 1 7 ASP OD2 O 5.426 -0.744 3.704 1.00 . A A . 6 ASP OD2 1 1 24 2572 1 1 8 PHE C C -0.355 0.830 5.630 1.00 . A A . 7 PHE C 1 1 24 2573 1 1 8 PHE CA C 1.094 0.339 5.481 1.00 . A A . 7 PHE CA 1 1 24 2574 1 1 8 PHE CB C 2.008 1.044 6.492 1.00 . A A . 7 PHE CB 1 1 24 2575 1 1 8 PHE CD1 C 2.386 3.208 5.212 1.00 . A A . 7 PHE CD1 1 1 24 2576 1 1 8 PHE CD2 C 1.371 3.320 7.359 1.00 . A A . 7 PHE CD2 1 1 24 2577 1 1 8 PHE CE1 C 2.308 4.581 5.100 1.00 . A A . 7 PHE CE1 1 1 24 2578 1 1 8 PHE CE2 C 1.290 4.693 7.254 1.00 . A A . 7 PHE CE2 1 1 24 2579 1 1 8 PHE CG C 1.920 2.570 6.343 1.00 . A A . 7 PHE CG 1 1 24 2580 1 1 8 PHE CZ C 1.758 5.326 6.122 1.00 . A A . 7 PHE CZ 1 1 24 2581 1 1 8 PHE H H 1.667 1.488 3.776 1.00 . A A . 7 PHE H 1 1 24 2582 1 1 8 PHE HA H 1.123 -0.704 5.667 1.00 . A A . 7 PHE HA 1 1 24 2583 1 1 8 PHE HB2 H 1.716 0.766 7.494 1.00 . A A . 7 PHE HB2 1 1 24 2584 1 1 8 PHE HB3 H 3.032 0.737 6.334 1.00 . A A . 7 PHE HB3 1 1 24 2585 1 1 8 PHE HD1 H 2.802 2.621 4.406 1.00 . A A . 7 PHE HD1 1 1 24 2586 1 1 8 PHE HD2 H 1.001 2.813 8.238 1.00 . A A . 7 PHE HD2 1 1 24 2587 1 1 8 PHE HE1 H 2.678 5.071 4.211 1.00 . A A . 7 PHE HE1 1 1 24 2588 1 1 8 PHE HE2 H 0.856 5.269 8.057 1.00 . A A . 7 PHE HE2 1 1 24 2589 1 1 8 PHE HZ H 1.697 6.401 6.037 1.00 . A A . 7 PHE HZ 1 1 24 2590 1 1 8 PHE N N 1.646 0.579 4.123 1.00 . A A . 7 PHE N 1 1 24 2591 1 1 8 PHE O O -0.824 1.460 4.699 1.00 . A A . 7 PHE O 1 1 24 2592 1 1 8 PHE OXT O -0.916 0.548 6.676 1.00 . A A . 7 PHE OXT 1 1 25 2593 1 1 2 PHE C C -3.940 -2.308 0.794 1.00 . A A . 1 PHE C 1 1 25 2594 1 1 2 PHE CA C -4.012 -3.712 1.380 1.00 . A A . 1 PHE CA 1 1 25 2595 1 1 2 PHE CB C -3.183 -3.851 2.719 1.00 . A A . 1 PHE CB 1 1 25 2596 1 1 2 PHE CD1 C -0.942 -4.066 1.430 1.00 . A A . 1 PHE CD1 1 1 25 2597 1 1 2 PHE CD2 C -0.912 -3.411 3.705 1.00 . A A . 1 PHE CD2 1 1 25 2598 1 1 2 PHE CE1 C 0.417 -3.991 1.375 1.00 . A A . 1 PHE CE1 1 1 25 2599 1 1 2 PHE CE2 C 0.463 -3.330 3.655 1.00 . A A . 1 PHE CE2 1 1 25 2600 1 1 2 PHE CG C -1.638 -3.780 2.593 1.00 . A A . 1 PHE CG 1 1 25 2601 1 1 2 PHE CZ C 1.130 -3.622 2.485 1.00 . A A . 1 PHE CZ 1 1 25 2602 1 1 2 PHE H H -2.839 -4.375 -0.246 1.00 . A A . 1 PHE H 1 1 25 2603 1 1 2 PHE HA H -5.024 -3.945 1.570 1.00 . A A . 1 PHE HA 1 1 25 2604 1 1 2 PHE HB2 H -3.501 -3.071 3.395 1.00 . A A . 1 PHE HB2 1 1 25 2605 1 1 2 PHE HB3 H -3.431 -4.800 3.171 1.00 . A A . 1 PHE HB3 1 1 25 2606 1 1 2 PHE HD1 H -1.436 -4.352 0.528 1.00 . A A . 1 PHE HD1 1 1 25 2607 1 1 2 PHE HD2 H -1.424 -3.182 4.628 1.00 . A A . 1 PHE HD2 1 1 25 2608 1 1 2 PHE HE1 H 0.911 -4.231 0.445 1.00 . A A . 1 PHE HE1 1 1 25 2609 1 1 2 PHE HE2 H 1.014 -3.033 4.534 1.00 . A A . 1 PHE HE2 1 1 25 2610 1 1 2 PHE HZ H 2.204 -3.561 2.429 1.00 . A A . 1 PHE HZ 1 1 25 2611 1 1 2 PHE N N -3.495 -4.682 0.406 1.00 . A A . 1 PHE N 1 1 25 2612 1 1 2 PHE O O -4.874 -1.847 0.169 1.00 . A A . 1 PHE O 1 1 25 2613 1 1 3 THR C C -1.367 -0.322 -0.426 1.00 . A A . 2 THR C 1 1 25 2614 1 1 3 THR CA C -2.561 -0.311 0.523 1.00 . A A . 2 THR CA 1 1 25 2615 1 1 3 THR CB C -2.296 0.570 1.747 1.00 . A A . 2 THR CB 1 1 25 2616 1 1 3 THR CG2 C -3.361 0.307 2.799 1.00 . A A . 2 THR CG2 1 1 25 2617 1 1 3 THR H H -2.126 -2.117 1.529 1.00 . A A . 2 THR H 1 1 25 2618 1 1 3 THR HA H -3.430 0.051 -0.008 1.00 . A A . 2 THR HA 1 1 25 2619 1 1 3 THR HB H -2.172 1.605 1.478 1.00 . A A . 2 THR HB 1 1 25 2620 1 1 3 THR HG1 H -1.281 -0.262 3.229 1.00 . A A . 2 THR HG1 1 1 25 2621 1 1 3 THR HG21 H -3.332 -0.744 3.069 1.00 . A A . 2 THR HG21 1 1 25 2622 1 1 3 THR HG22 H -3.168 0.917 3.669 1.00 . A A . 2 THR HG22 1 1 25 2623 1 1 3 THR HG23 H -4.332 0.544 2.393 1.00 . A A . 2 THR HG23 1 1 25 2624 1 1 3 THR N N -2.823 -1.681 1.012 1.00 . A A . 2 THR N 1 1 25 2625 1 1 3 THR O O -0.240 -0.117 -0.023 1.00 . A A . 2 THR O 1 1 25 2626 1 1 3 THR OG1 O -1.108 0.065 2.342 1.00 . A A . 2 THR OG1 1 1 25 2627 1 1 4 LEU C C -0.361 0.853 -3.199 1.00 . A A . 3 LEU C 1 1 25 2628 1 1 4 LEU CA C -0.464 -0.572 -2.637 1.00 . A A . 3 LEU CA 1 1 25 2629 1 1 4 LEU CB C -0.765 -1.632 -3.724 1.00 . A A . 3 LEU CB 1 1 25 2630 1 1 4 LEU CD1 C 0.090 -3.396 -2.011 1.00 . A A . 3 LEU CD1 1 1 25 2631 1 1 4 LEU CD2 C -2.402 -3.250 -2.508 1.00 . A A . 3 LEU CD2 1 1 25 2632 1 1 4 LEU CG C -0.979 -3.070 -3.102 1.00 . A A . 3 LEU CG 1 1 25 2633 1 1 4 LEU H H -2.526 -0.717 -1.988 1.00 . A A . 3 LEU H 1 1 25 2634 1 1 4 LEU HA H 0.459 -0.805 -2.123 1.00 . A A . 3 LEU HA 1 1 25 2635 1 1 4 LEU HB2 H -1.643 -1.335 -4.280 1.00 . A A . 3 LEU HB2 1 1 25 2636 1 1 4 LEU HB3 H 0.067 -1.664 -4.413 1.00 . A A . 3 LEU HB3 1 1 25 2637 1 1 4 LEU HD11 H 1.086 -3.343 -2.426 1.00 . A A . 3 LEU HD11 1 1 25 2638 1 1 4 LEU HD12 H 0.036 -2.708 -1.175 1.00 . A A . 3 LEU HD12 1 1 25 2639 1 1 4 LEU HD13 H -0.061 -4.393 -1.624 1.00 . A A . 3 LEU HD13 1 1 25 2640 1 1 4 LEU HD21 H -3.148 -3.069 -3.269 1.00 . A A . 3 LEU HD21 1 1 25 2641 1 1 4 LEU HD22 H -2.517 -4.263 -2.158 1.00 . A A . 3 LEU HD22 1 1 25 2642 1 1 4 LEU HD23 H -2.587 -2.587 -1.676 1.00 . A A . 3 LEU HD23 1 1 25 2643 1 1 4 LEU HG H -0.862 -3.790 -3.899 1.00 . A A . 3 LEU HG 1 1 25 2644 1 1 4 LEU N N -1.611 -0.556 -1.682 1.00 . A A . 3 LEU N 1 1 25 2645 1 1 4 LEU O O -0.226 1.105 -4.381 1.00 . A A . 3 LEU O 1 1 25 2646 1 1 5 ASP C C 0.598 3.682 -1.278 1.00 . A A . 4 ASP C 1 1 25 2647 1 1 5 ASP CA C -0.381 3.197 -2.349 1.00 . A A . 4 ASP CA 1 1 25 2648 1 1 5 ASP CB C -1.808 3.769 -2.139 1.00 . A A . 4 ASP CB 1 1 25 2649 1 1 5 ASP CG C -2.441 3.221 -0.850 1.00 . A A . 4 ASP CG 1 1 25 2650 1 1 5 ASP H H -0.551 1.373 -1.321 1.00 . A A . 4 ASP H 1 1 25 2651 1 1 5 ASP HA H 0.014 3.448 -3.310 1.00 . A A . 4 ASP HA 1 1 25 2652 1 1 5 ASP HB2 H -1.761 4.847 -2.071 1.00 . A A . 4 ASP HB2 1 1 25 2653 1 1 5 ASP HB3 H -2.434 3.510 -2.981 1.00 . A A . 4 ASP HB3 1 1 25 2654 1 1 5 ASP N N -0.441 1.721 -2.225 1.00 . A A . 4 ASP N 1 1 25 2655 1 1 5 ASP O O 1.451 4.508 -1.537 1.00 . A A . 4 ASP O 1 1 25 2656 1 1 5 ASP OD1 O -2.171 3.780 0.199 1.00 . A A . 4 ASP OD1 1 1 25 2657 1 1 5 ASP OD2 O -3.165 2.252 -0.991 1.00 . A A . 4 ASP OD2 1 1 25 2658 1 1 6 ALA C C 2.177 2.275 1.370 1.00 . A A . 5 ALA C 1 1 25 2659 1 1 6 ALA CA C 1.298 3.486 1.064 1.00 . A A . 5 ALA CA 1 1 25 2660 1 1 6 ALA CB C 0.433 3.806 2.298 1.00 . A A . 5 ALA CB 1 1 25 2661 1 1 6 ALA H H -0.296 2.484 0.002 1.00 . A A . 5 ALA H 1 1 25 2662 1 1 6 ALA HA H 1.929 4.318 0.815 1.00 . A A . 5 ALA HA 1 1 25 2663 1 1 6 ALA HB1 H -0.283 4.580 2.073 1.00 . A A . 5 ALA HB1 1 1 25 2664 1 1 6 ALA HB2 H -0.083 2.927 2.665 1.00 . A A . 5 ALA HB2 1 1 25 2665 1 1 6 ALA HB3 H 1.074 4.167 3.083 1.00 . A A . 5 ALA HB3 1 1 25 2666 1 1 6 ALA N N 0.429 3.134 -0.101 1.00 . A A . 5 ALA N 1 1 25 2667 1 1 6 ALA O O 3.387 2.379 1.394 1.00 . A A . 5 ALA O 1 1 25 2668 1 1 7 ASP C C 1.979 -0.308 3.453 1.00 . A A . 6 ASP C 1 1 25 2669 1 1 7 ASP CA C 2.005 -0.178 1.921 1.00 . A A . 6 ASP CA 1 1 25 2670 1 1 7 ASP CB C 3.469 -0.356 1.380 1.00 . A A . 6 ASP CB 1 1 25 2671 1 1 7 ASP CG C 3.802 -1.850 1.252 1.00 . A A . 6 ASP CG 1 1 25 2672 1 1 7 ASP H H 0.506 1.302 1.535 1.00 . A A . 6 ASP H 1 1 25 2673 1 1 7 ASP HA H 1.347 -0.925 1.504 1.00 . A A . 6 ASP HA 1 1 25 2674 1 1 7 ASP HB2 H 3.565 0.097 0.405 1.00 . A A . 6 ASP HB2 1 1 25 2675 1 1 7 ASP HB3 H 4.176 0.108 2.053 1.00 . A A . 6 ASP HB3 1 1 25 2676 1 1 7 ASP N N 1.477 1.194 1.593 1.00 . A A . 6 ASP N 1 1 25 2677 1 1 7 ASP O O 2.797 -0.976 4.058 1.00 . A A . 6 ASP O 1 1 25 2678 1 1 7 ASP OD1 O 3.193 -2.457 0.382 1.00 . A A . 6 ASP OD1 1 1 25 2679 1 1 7 ASP OD2 O 4.636 -2.307 2.016 1.00 . A A . 6 ASP OD2 1 1 25 2680 1 1 8 PHE C C -0.408 -0.464 5.959 1.00 . A A . 7 PHE C 1 1 25 2681 1 1 8 PHE CA C 0.804 0.374 5.512 1.00 . A A . 7 PHE CA 1 1 25 2682 1 1 8 PHE CB C 0.589 1.824 5.978 1.00 . A A . 7 PHE CB 1 1 25 2683 1 1 8 PHE CD1 C 2.872 2.340 4.930 1.00 . A A . 7 PHE CD1 1 1 25 2684 1 1 8 PHE CD2 C 1.374 4.127 5.349 1.00 . A A . 7 PHE CD2 1 1 25 2685 1 1 8 PHE CE1 C 3.791 3.219 4.412 1.00 . A A . 7 PHE CE1 1 1 25 2686 1 1 8 PHE CE2 C 2.292 5.010 4.830 1.00 . A A . 7 PHE CE2 1 1 25 2687 1 1 8 PHE CG C 1.651 2.780 5.404 1.00 . A A . 7 PHE CG 1 1 25 2688 1 1 8 PHE CZ C 3.506 4.563 4.361 1.00 . A A . 7 PHE CZ 1 1 25 2689 1 1 8 PHE H H 0.406 0.880 3.474 1.00 . A A . 7 PHE H 1 1 25 2690 1 1 8 PHE HA H 1.696 0.000 5.969 1.00 . A A . 7 PHE HA 1 1 25 2691 1 1 8 PHE HB2 H -0.389 2.157 5.664 1.00 . A A . 7 PHE HB2 1 1 25 2692 1 1 8 PHE HB3 H 0.636 1.861 7.056 1.00 . A A . 7 PHE HB3 1 1 25 2693 1 1 8 PHE HD1 H 3.112 1.290 4.960 1.00 . A A . 7 PHE HD1 1 1 25 2694 1 1 8 PHE HD2 H 0.425 4.494 5.703 1.00 . A A . 7 PHE HD2 1 1 25 2695 1 1 8 PHE HE1 H 4.731 2.843 4.043 1.00 . A A . 7 PHE HE1 1 1 25 2696 1 1 8 PHE HE2 H 2.039 6.051 4.777 1.00 . A A . 7 PHE HE2 1 1 25 2697 1 1 8 PHE HZ H 4.226 5.257 3.954 1.00 . A A . 7 PHE HZ 1 1 25 2698 1 1 8 PHE N N 1.009 0.361 4.031 1.00 . A A . 7 PHE N 1 1 25 2699 1 1 8 PHE O O -1.254 -0.729 5.123 1.00 . A A . 7 PHE O 1 1 25 2700 1 1 8 PHE OXT O -0.427 -0.790 7.134 1.00 . A A . 7 PHE OXT 1 1 26 2701 1 1 2 PHE C C -4.042 -2.268 0.647 1.00 . A A . 1 PHE C 1 1 26 2702 1 1 2 PHE CA C -4.432 -3.721 0.885 1.00 . A A . 1 PHE CA 1 1 26 2703 1 1 2 PHE CB C -3.642 -4.394 2.073 1.00 . A A . 1 PHE CB 1 1 26 2704 1 1 2 PHE CD1 C -1.735 -5.405 0.717 1.00 . A A . 1 PHE CD1 1 1 26 2705 1 1 2 PHE CD2 C -1.181 -4.044 2.579 1.00 . A A . 1 PHE CD2 1 1 26 2706 1 1 2 PHE CE1 C -0.399 -5.611 0.461 1.00 . A A . 1 PHE CE1 1 1 26 2707 1 1 2 PHE CE2 C 0.159 -4.244 2.329 1.00 . A A . 1 PHE CE2 1 1 26 2708 1 1 2 PHE CG C -2.143 -4.624 1.776 1.00 . A A . 1 PHE CG 1 1 26 2709 1 1 2 PHE CZ C 0.554 -5.028 1.268 1.00 . A A . 1 PHE CZ 1 1 26 2710 1 1 2 PHE H H -3.249 -4.424 -0.712 1.00 . A A . 1 PHE H 1 1 26 2711 1 1 2 PHE HA H -5.472 -3.781 1.078 1.00 . A A . 1 PHE HA 1 1 26 2712 1 1 2 PHE HB2 H -3.731 -3.769 2.950 1.00 . A A . 1 PHE HB2 1 1 26 2713 1 1 2 PHE HB3 H -4.092 -5.350 2.300 1.00 . A A . 1 PHE HB3 1 1 26 2714 1 1 2 PHE HD1 H -2.476 -5.854 0.076 1.00 . A A . 1 PHE HD1 1 1 26 2715 1 1 2 PHE HD2 H -1.485 -3.422 3.406 1.00 . A A . 1 PHE HD2 1 1 26 2716 1 1 2 PHE HE1 H -0.104 -6.227 -0.374 1.00 . A A . 1 PHE HE1 1 1 26 2717 1 1 2 PHE HE2 H 0.900 -3.783 2.966 1.00 . A A . 1 PHE HE2 1 1 26 2718 1 1 2 PHE HZ H 1.605 -5.183 1.073 1.00 . A A . 1 PHE HZ 1 1 26 2719 1 1 2 PHE N N -4.147 -4.485 -0.339 1.00 . A A . 1 PHE N 1 1 26 2720 1 1 2 PHE O O -4.832 -1.500 0.136 1.00 . A A . 1 PHE O 1 1 26 2721 1 1 3 THR C C -1.113 -0.504 -0.088 1.00 . A A . 2 THR C 1 1 26 2722 1 1 3 THR CA C -2.299 -0.578 0.864 1.00 . A A . 2 THR CA 1 1 26 2723 1 1 3 THR CB C -1.925 -0.104 2.256 1.00 . A A . 2 THR CB 1 1 26 2724 1 1 3 THR CG2 C -3.140 -0.244 3.143 1.00 . A A . 2 THR CG2 1 1 26 2725 1 1 3 THR H H -2.277 -2.606 1.438 1.00 . A A . 2 THR H 1 1 26 2726 1 1 3 THR HA H -3.074 0.069 0.483 1.00 . A A . 2 THR HA 1 1 26 2727 1 1 3 THR HB H -1.475 0.874 2.239 1.00 . A A . 2 THR HB 1 1 26 2728 1 1 3 THR HG1 H -0.349 -0.589 3.274 1.00 . A A . 2 THR HG1 1 1 26 2729 1 1 3 THR HG21 H -3.439 -1.287 3.130 1.00 . A A . 2 THR HG21 1 1 26 2730 1 1 3 THR HG22 H -2.913 0.072 4.148 1.00 . A A . 2 THR HG22 1 1 26 2731 1 1 3 THR HG23 H -3.927 0.372 2.736 1.00 . A A . 2 THR HG23 1 1 26 2732 1 1 3 THR N N -2.842 -1.942 1.020 1.00 . A A . 2 THR N 1 1 26 2733 1 1 3 THR O O -0.019 -0.133 0.291 1.00 . A A . 2 THR O 1 1 26 2734 1 1 3 THR OG1 O -1.021 -1.068 2.778 1.00 . A A . 2 THR OG1 1 1 26 2735 1 1 4 LEU C C -0.283 0.613 -2.936 1.00 . A A . 3 LEU C 1 1 26 2736 1 1 4 LEU CA C -0.239 -0.808 -2.331 1.00 . A A . 3 LEU CA 1 1 26 2737 1 1 4 LEU CB C -0.477 -1.872 -3.434 1.00 . A A . 3 LEU CB 1 1 26 2738 1 1 4 LEU CD1 C 0.869 -3.602 -2.113 1.00 . A A . 3 LEU CD1 1 1 26 2739 1 1 4 LEU CD2 C -1.646 -3.666 -2.011 1.00 . A A . 3 LEU CD2 1 1 26 2740 1 1 4 LEU CG C -0.435 -3.342 -2.907 1.00 . A A . 3 LEU CG 1 1 26 2741 1 1 4 LEU H H -2.249 -1.171 -1.562 1.00 . A A . 3 LEU H 1 1 26 2742 1 1 4 LEU HA H 0.717 -0.947 -1.846 1.00 . A A . 3 LEU HA 1 1 26 2743 1 1 4 LEU HB2 H -1.435 -1.684 -3.900 1.00 . A A . 3 LEU HB2 1 1 26 2744 1 1 4 LEU HB3 H 0.283 -1.752 -4.194 1.00 . A A . 3 LEU HB3 1 1 26 2745 1 1 4 LEU HD11 H 1.732 -3.411 -2.736 1.00 . A A . 3 LEU HD11 1 1 26 2746 1 1 4 LEU HD12 H 0.923 -2.968 -1.238 1.00 . A A . 3 LEU HD12 1 1 26 2747 1 1 4 LEU HD13 H 0.907 -4.631 -1.786 1.00 . A A . 3 LEU HD13 1 1 26 2748 1 1 4 LEU HD21 H -2.566 -3.480 -2.544 1.00 . A A . 3 LEU HD21 1 1 26 2749 1 1 4 LEU HD22 H -1.612 -4.710 -1.738 1.00 . A A . 3 LEU HD22 1 1 26 2750 1 1 4 LEU HD23 H -1.641 -3.083 -1.101 1.00 . A A . 3 LEU HD23 1 1 26 2751 1 1 4 LEU HG H -0.453 -4.008 -3.758 1.00 . A A . 3 LEU HG 1 1 26 2752 1 1 4 LEU N N -1.350 -0.861 -1.322 1.00 . A A . 3 LEU N 1 1 26 2753 1 1 4 LEU O O -0.147 0.842 -4.122 1.00 . A A . 3 LEU O 1 1 26 2754 1 1 5 ASP C C 0.344 3.615 -1.145 1.00 . A A . 4 ASP C 1 1 26 2755 1 1 5 ASP CA C -0.583 2.975 -2.177 1.00 . A A . 4 ASP CA 1 1 26 2756 1 1 5 ASP CB C -2.069 3.380 -1.968 1.00 . A A . 4 ASP CB 1 1 26 2757 1 1 5 ASP CG C -2.723 2.515 -0.871 1.00 . A A . 4 ASP CG 1 1 26 2758 1 1 5 ASP H H -0.569 1.184 -1.094 1.00 . A A . 4 ASP H 1 1 26 2759 1 1 5 ASP HA H -0.235 3.233 -3.155 1.00 . A A . 4 ASP HA 1 1 26 2760 1 1 5 ASP HB2 H -2.129 4.417 -1.670 1.00 . A A . 4 ASP HB2 1 1 26 2761 1 1 5 ASP HB3 H -2.613 3.259 -2.894 1.00 . A A . 4 ASP HB3 1 1 26 2762 1 1 5 ASP N N -0.480 1.506 -2.005 1.00 . A A . 4 ASP N 1 1 26 2763 1 1 5 ASP O O 1.075 4.540 -1.439 1.00 . A A . 4 ASP O 1 1 26 2764 1 1 5 ASP OD1 O -2.394 2.707 0.287 1.00 . A A . 4 ASP OD1 1 1 26 2765 1 1 5 ASP OD2 O -3.526 1.688 -1.265 1.00 . A A . 4 ASP OD2 1 1 26 2766 1 1 6 ALA C C 2.236 2.587 1.434 1.00 . A A . 5 ALA C 1 1 26 2767 1 1 6 ALA CA C 1.099 3.562 1.190 1.00 . A A . 5 ALA CA 1 1 26 2768 1 1 6 ALA CB C 0.264 3.632 2.466 1.00 . A A . 5 ALA CB 1 1 26 2769 1 1 6 ALA H H -0.362 2.341 0.180 1.00 . A A . 5 ALA H 1 1 26 2770 1 1 6 ALA HA H 1.512 4.527 0.958 1.00 . A A . 5 ALA HA 1 1 26 2771 1 1 6 ALA HB1 H -0.138 2.652 2.679 1.00 . A A . 5 ALA HB1 1 1 26 2772 1 1 6 ALA HB2 H 0.891 3.909 3.301 1.00 . A A . 5 ALA HB2 1 1 26 2773 1 1 6 ALA HB3 H -0.551 4.331 2.367 1.00 . A A . 5 ALA HB3 1 1 26 2774 1 1 6 ALA N N 0.270 3.080 0.044 1.00 . A A . 5 ALA N 1 1 26 2775 1 1 6 ALA O O 3.388 2.967 1.461 1.00 . A A . 5 ALA O 1 1 26 2776 1 1 7 ASP C C 2.038 -0.442 3.161 1.00 . A A . 6 ASP C 1 1 26 2777 1 1 7 ASP CA C 2.606 0.138 1.869 1.00 . A A . 6 ASP CA 1 1 26 2778 1 1 7 ASP CB C 4.111 0.435 2.109 1.00 . A A . 6 ASP CB 1 1 26 2779 1 1 7 ASP CG C 4.855 -0.870 2.438 1.00 . A A . 6 ASP CG 1 1 26 2780 1 1 7 ASP H H 0.824 1.263 1.538 1.00 . A A . 6 ASP H 1 1 26 2781 1 1 7 ASP HA H 2.455 -0.567 1.075 1.00 . A A . 6 ASP HA 1 1 26 2782 1 1 7 ASP HB2 H 4.549 0.860 1.219 1.00 . A A . 6 ASP HB2 1 1 26 2783 1 1 7 ASP HB3 H 4.229 1.132 2.927 1.00 . A A . 6 ASP HB3 1 1 26 2784 1 1 7 ASP N N 1.794 1.370 1.599 1.00 . A A . 6 ASP N 1 1 26 2785 1 1 7 ASP O O 2.015 -1.638 3.375 1.00 . A A . 6 ASP O 1 1 26 2786 1 1 7 ASP OD1 O 4.901 -1.708 1.552 1.00 . A A . 6 ASP OD1 1 1 26 2787 1 1 7 ASP OD2 O 5.334 -0.953 3.557 1.00 . A A . 6 ASP OD2 1 1 26 2788 1 1 8 PHE C C -0.432 0.696 5.459 1.00 . A A . 7 PHE C 1 1 26 2789 1 1 8 PHE CA C 0.995 0.154 5.297 1.00 . A A . 7 PHE CA 1 1 26 2790 1 1 8 PHE CB C 1.913 0.734 6.380 1.00 . A A . 7 PHE CB 1 1 26 2791 1 1 8 PHE CD1 C 2.388 2.983 5.283 1.00 . A A . 7 PHE CD1 1 1 26 2792 1 1 8 PHE CD2 C 1.369 2.955 7.432 1.00 . A A . 7 PHE CD2 1 1 26 2793 1 1 8 PHE CE1 C 2.367 4.362 5.289 1.00 . A A . 7 PHE CE1 1 1 26 2794 1 1 8 PHE CE2 C 1.345 4.333 7.443 1.00 . A A . 7 PHE CE2 1 1 26 2795 1 1 8 PHE CG C 1.890 2.270 6.356 1.00 . A A . 7 PHE CG 1 1 26 2796 1 1 8 PHE CZ C 1.845 5.040 6.370 1.00 . A A . 7 PHE CZ 1 1 26 2797 1 1 8 PHE H H 1.643 1.404 3.691 1.00 . A A . 7 PHE H 1 1 26 2798 1 1 8 PHE HA H 0.974 -0.902 5.397 1.00 . A A . 7 PHE HA 1 1 26 2799 1 1 8 PHE HB2 H 1.585 0.387 7.349 1.00 . A A . 7 PHE HB2 1 1 26 2800 1 1 8 PHE HB3 H 2.926 0.398 6.217 1.00 . A A . 7 PHE HB3 1 1 26 2801 1 1 8 PHE HD1 H 2.784 2.450 4.430 1.00 . A A . 7 PHE HD1 1 1 26 2802 1 1 8 PHE HD2 H 0.974 2.393 8.265 1.00 . A A . 7 PHE HD2 1 1 26 2803 1 1 8 PHE HE1 H 2.761 4.909 4.444 1.00 . A A . 7 PHE HE1 1 1 26 2804 1 1 8 PHE HE2 H 0.933 4.859 8.292 1.00 . A A . 7 PHE HE2 1 1 26 2805 1 1 8 PHE HZ H 1.829 6.119 6.376 1.00 . A A . 7 PHE HZ 1 1 26 2806 1 1 8 PHE N N 1.589 0.474 3.974 1.00 . A A . 7 PHE N 1 1 26 2807 1 1 8 PHE O O -0.814 1.490 4.620 1.00 . A A . 7 PHE O 1 1 26 2808 1 1 8 PHE OXT O -1.060 0.288 6.420 1.00 . A A . 7 PHE OXT 1 1 stop_ save_
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