NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
391811 | 1plx | 5914 | cing | 4-filtered-FRED | STAR | entry | full | 48 |
data_FRED_restraints_with_modified_coordinates_PDB_code_1plx # This FRED archive file contains, for PDB entry <1plx>: # # - 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, W Vranken, C Penkett, J Lin, CF Schulte, G Vuister, G Vriend, # JL Markley, EL Ulrich. BioMagResBank database `NMR Restraints Grid` with # curated sets of experimental NMR restraints for over 4,000 protein and nucleic # acid PDB entries. (in preparation) 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_1plx _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 1plx _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "not present" _Assembly.Molecular_mass 573.66 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 $Met_enkephalin_1 A . 1 1 stop_ save_ save_Met_enkephalin_1 _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name "Met enkephalin 1" _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code YGGFM _Entity.Number_of_monomers 5 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 TYR . 1 1 2 GLY . 1 1 3 GLY . 1 1 4 PHE . 1 1 5 MET . 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 TYR 1 1 1 1 GLY 2 2 1 1 GLY 3 3 1 1 PHE 4 4 1 1 MET 5 5 1 1 stop_ save_ save_CNS/XPLOR_distance_constraints_2_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID . _Distance_constraint_list.Block_ID . loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . 1 1 2 1 . . . 1 1 3 1 . . . 1 1 4 1 . . . 1 1 5 1 . . . 1 1 6 1 . . . 1 1 7 1 . . . 1 1 8 1 . . . 1 1 9 1 . . . 1 1 10 1 . . . 1 1 11 1 . . . 1 1 12 1 . . . 1 1 13 1 . . . 1 1 14 1 . . . 1 1 15 1 . . . 1 1 16 1 . . . 1 1 17 1 . . . 1 1 18 1 . . . 1 1 19 1 . . . 1 1 20 1 . . . 1 1 21 1 . . . 1 1 22 1 . . . 1 1 23 1 . . . 1 1 24 1 . . . 1 1 25 1 . . . 1 1 26 1 . . . 1 1 27 1 . . . 1 1 28 1 . . . 1 1 29 1 . . . 1 1 30 1 . . . 1 1 31 1 . . . 1 1 32 1 . . . 1 1 33 1 . . . 1 1 34 1 . . . 1 1 35 1 . . . 1 1 36 1 . . . 1 1 37 1 . . . 1 1 38 1 . . . 1 1 39 1 . . . 1 1 40 1 . . . 1 1 41 1 . . . 1 1 42 1 . . . 1 1 43 1 . . . 1 1 44 1 . . . 1 1 45 1 . . . 1 1 46 1 . . . 1 1 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 1 TYR HA . 1 . HA 1 1 1 1 2 1 1 1 TYR QD . 1 . HD# 1 1 2 1 1 1 1 1 TYR HA . 1 . HA 1 1 2 1 2 1 1 1 TYR QE . 1 . HE# 1 1 3 1 1 1 1 1 TYR HA . 1 . HA 1 1 3 1 2 1 1 2 GLY H . 2 . HN 1 1 4 1 1 1 1 1 TYR HA . 1 . HA 1 1 4 1 2 1 1 3 GLY H . 3 . HN 1 1 5 1 1 1 1 1 TYR HA . 1 . HA 1 1 5 1 2 1 1 4 PHE H . 4 . HN 1 1 6 1 1 1 1 1 TYR HA . 1 . HA 1 1 6 1 2 1 1 4 PHE QD . 4 . HD# 1 1 7 1 1 1 1 1 TYR HA . 1 . HA 1 1 7 1 2 1 1 4 PHE QE . 4 . HE# 1 1 8 1 1 1 1 1 TYR QB . 1 . HB# 1 1 8 1 2 1 1 2 GLY H . 2 . HN 1 1 9 1 1 1 1 1 TYR QB . 1 . HB# 1 1 9 1 2 1 1 3 GLY H . 3 . HN 1 1 10 1 1 1 1 1 TYR QD . 1 . HD# 1 1 10 1 2 1 1 2 GLY H . 2 . HN 1 1 11 1 1 1 1 1 TYR QD . 1 . HD# 1 1 11 1 2 1 1 2 GLY QA . 2 . HA# 1 1 12 1 1 1 1 1 TYR QD . 1 . HD# 1 1 12 1 2 1 1 3 GLY H . 3 . HN 1 1 13 1 1 1 1 1 TYR QD . 1 . HD# 1 1 13 1 2 1 1 4 PHE H . 4 . HN 1 1 14 1 1 1 1 1 TYR QE . 1 . HE# 1 1 14 1 2 1 1 2 GLY H . 2 . HN 1 1 15 1 1 1 1 1 TYR QE . 1 . HE# 1 1 15 1 2 1 1 2 GLY QA . 2 . HA# 1 1 16 1 1 1 1 1 TYR QE . 1 . HE# 1 1 16 1 2 1 1 3 GLY H . 3 . HN 1 1 17 1 1 1 1 1 TYR QE . 1 . HE# 1 1 17 1 2 1 1 5 MET ME . 5 . HE# 1 1 18 1 1 1 1 1 TYR QE . 1 . HE# 1 1 18 1 2 1 1 5 MET QG . 5 . HG# 1 1 19 1 1 1 1 2 GLY H . 2 . HN 1 1 19 1 2 1 1 2 GLY QA . 2 . HA# 1 1 20 1 1 1 1 2 GLY H . 2 . HN 1 1 20 1 2 1 1 3 GLY H . 3 . HN 1 1 21 1 1 1 1 2 GLY H . 2 . HN 1 1 21 1 2 1 1 4 PHE H . 4 . HN 1 1 22 1 1 1 1 2 GLY QA . 2 . HA# 1 1 22 1 2 1 1 4 PHE QE . 4 . HE# 1 1 23 1 1 1 1 3 GLY H . 3 . HN 1 1 23 1 2 1 1 4 PHE QB . 4 . HB# 1 1 24 1 1 1 1 3 GLY H . 3 . HN 1 1 24 1 2 1 1 4 PHE QD . 4 . HD# 1 1 25 1 1 1 1 3 GLY H . 3 . HN 1 1 25 1 2 1 1 4 PHE QE . 4 . HE# 1 1 26 1 1 1 1 3 GLY QA . 3 . HA# 1 1 26 1 2 1 1 5 MET H . 5 . HN 1 1 27 1 1 1 1 4 PHE H . 4 . HN 1 1 27 1 2 1 1 4 PHE QB . 4 . HB# 1 1 28 1 1 1 1 4 PHE H . 4 . HN 1 1 28 1 2 1 1 4 PHE QD . 4 . HD# 1 1 29 1 1 1 1 4 PHE H . 4 . HN 1 1 29 1 2 1 1 4 PHE QE . 4 . HE# 1 1 30 1 1 1 1 4 PHE H . 4 . HN 1 1 30 1 2 1 1 5 MET QB . 5 . HB# 1 1 31 1 1 1 1 4 PHE H . 4 . HN 1 1 31 1 2 1 1 5 MET ME . 5 . HE# 1 1 32 1 1 1 1 4 PHE H . 4 . HN 1 1 32 1 2 1 1 5 MET QG . 5 . HG# 1 1 33 1 1 1 1 4 PHE HA . 4 . HA 1 1 33 1 2 1 1 5 MET H . 5 . HN 1 1 34 1 1 1 1 4 PHE QB . 4 . HB# 1 1 34 1 2 1 1 5 MET H . 5 . HN 1 1 35 1 1 1 1 4 PHE QD . 4 . HD# 1 1 35 1 2 1 1 5 MET H . 5 . HN 1 1 36 1 1 1 1 4 PHE QD . 4 . HD# 1 1 36 1 2 1 1 5 MET QB . 5 . HB# 1 1 37 1 1 1 1 4 PHE QD . 4 . HD# 1 1 37 1 2 1 1 5 MET ME . 5 . HE# 1 1 38 1 1 1 1 4 PHE QD . 4 . HD# 1 1 38 1 2 1 1 5 MET QG . 5 . HG# 1 1 39 1 1 1 1 4 PHE QE . 4 . HE# 1 1 39 1 2 1 1 5 MET H . 5 . HN 1 1 40 1 1 1 1 4 PHE QE . 4 . HE# 1 1 40 1 2 1 1 5 MET ME . 5 . HE# 1 1 41 1 1 1 1 4 PHE QE . 4 . HE# 1 1 41 1 2 1 1 5 MET QG . 5 . HG# 1 1 42 1 1 1 1 4 PHE HZ . 4 . HZ# 1 1 42 1 2 1 1 5 MET ME . 5 . HE# 1 1 43 1 1 1 1 4 PHE HZ . 4 . HZ 1 1 43 1 2 1 1 5 MET QG . 5 . HG# 1 1 44 1 1 1 1 5 MET H . 5 . HN 1 1 44 1 2 1 1 5 MET HA . 5 . HA 1 1 45 1 1 1 1 5 MET H . 5 . HN 1 1 45 1 2 1 1 5 MET QB . 5 . HB# 1 1 46 1 1 1 1 5 MET H . 5 . HN 1 1 46 1 2 1 1 5 MET QG . 5 . HG# 1 1 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 4.0 1.8 4.0 1 1 2 1 . . . . . 5.7 1.8 5.7 1 1 3 1 . . . . . 2.8 1.8 2.8 1 1 4 1 . . . . . 4.3 1.8 4.3 1 1 5 1 . . . . . 4.8 1.8 4.8 1 1 6 1 . . . . . 6.0 1.8 6.0 1 1 7 1 . . . . . 6.0 1.8 6.0 1 1 8 1 . . . . . 3.3 1.8 3.3 1 1 9 1 . . . . . 4.4 1.8 4.4 1 1 10 1 . . . . . 5.8 1.8 5.8 1 1 11 1 . . . . . 5.1 1.8 5.1 1 1 12 1 . . . . . 6.0 1.8 6.0 1 1 13 1 . . . . . 6.0 1.8 6.0 1 1 14 1 . . . . . 6.0 1.8 6.0 1 1 15 1 . . . . . 5.4 1.8 5.4 1 1 16 1 . . . . . 6.0 1.8 6.0 1 1 17 1 . . . . . 6.0 1.8 6.0 1 1 18 1 . . . . . 6.0 1.8 6.0 1 1 19 1 . . . . . 2.7 1.8 2.7 1 1 20 1 . . . . . 3.9 1.8 3.9 1 1 21 1 . . . . . 6.0 1.8 6.0 1 1 22 1 . . . . . 5.3 1.8 5.3 1 1 23 1 . . . . . 5.1 1.8 5.1 1 1 24 1 . . . . . 6.0 1.8 6.0 1 1 25 1 . . . . . 6.0 1.8 6.0 1 1 26 1 . . . . . 4.2 1.8 4.2 1 1 27 1 . . . . . 3.2 1.8 3.2 1 1 28 1 . . . . . 4.5 1.8 4.5 1 1 29 1 . . . . . 5.9 1.8 5.9 1 1 30 1 . . . . . 5.8 1.8 5.8 1 1 31 1 . . . . . 6.0 1.8 6.0 1 1 32 1 . . . . . 4.7 1.8 4.7 1 1 33 1 . . . . . 3.6 1.8 3.6 1 1 34 1 . . . . . 3.7 1.8 3.7 1 1 35 1 . . . . . 5.6 1.8 5.6 1 1 36 1 . . . . . 6.0 1.8 6.0 1 1 37 1 . . . . . 6.0 1.8 6.0 1 1 38 1 . . . . . 5.5 1.8 5.5 1 1 39 1 . . . . . 6.0 1.8 6.0 1 1 40 1 . . . . . 6.0 1.8 6.0 1 1 41 1 . . . . . 5.7 1.8 5.7 1 1 42 1 . . . . . 6.0 1.8 6.0 1 1 43 1 . . . . . 6.0 1.8 6.0 1 1 44 1 . . . . . 3.0 1.8 3.0 1 1 45 1 . . . . . 3.7 1.8 3.7 1 1 46 1 . . . . . 3.2 1.8 3.2 1 1 stop_ save_ save_CNS/XPLOR_dihedral_3 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID 1 _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID . _Torsion_angle_constraint_list.Block_ID . loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 . 1 1 3 GLY C 1 1 4 PHE N 1 1 4 PHE CA 1 1 4 PHE C -110.0 -70.0 . 3 . C . 4 . N . 4 . CA . 4 . C 1 1 2 . 1 1 4 PHE C 1 1 5 MET N 1 1 5 MET CA 1 1 5 MET C -107.99999 -68.0 . 4 . C . 5 . N . 5 . CA . 5 . C 1 1 stop_ save_ save_conformer_family_coord_set_1 _Conformer_family_coord_set.Sf_category conformer_family_coord_set _Conformer_family_coord_set.Entry_ID 1 _Conformer_family_coord_set.ID 1 loop_ _Atom_site.Model_ID _Atom_site.ID _Atom_site.Label_entity_assembly_ID _Atom_site.Label_entity_ID _Atom_site.Label_comp_index_ID _Atom_site.Label_comp_ID _Atom_site.Label_atom_ID _Atom_site.Type_symbol _Atom_site.Cartn_x _Atom_site.Cartn_y _Atom_site.Cartn_z _Atom_site.Occupancy _Atom_site.Uncertainty _Atom_site.PDBX_label_asym_ID _Atom_site.PDB_strand_ID _Atom_site.PDB_ins_code _Atom_site.PDB_residue_no _Atom_site.PDB_residue_name _Atom_site.PDB_atom_name _Atom_site.Entry_ID _Atom_site.Conformer_family_coord_set_ID 1 1 1 1 1 TYR C C 1.466 3.480 0.121 1.00 . A A . 1 TYR C 1 1 1 2 1 1 1 TYR CA C 0.509 3.483 1.309 1.00 . A A . 1 TYR CA 1 1 1 3 1 1 1 TYR CB C -0.662 4.428 1.036 1.00 . A A . 1 TYR CB 1 1 1 4 1 1 1 TYR CD1 C -2.555 2.843 0.497 1.00 . A A . 1 TYR CD1 1 1 1 5 1 1 1 TYR CD2 C -1.814 4.337 -1.206 1.00 . A A . 1 TYR CD2 1 1 1 6 1 1 1 TYR CE1 C -3.499 2.321 -0.366 1.00 . A A . 1 TYR CE1 1 1 1 7 1 1 1 TYR CE2 C -2.755 3.820 -2.076 1.00 . A A . 1 TYR CE2 1 1 1 8 1 1 1 TYR CG C -1.698 3.859 0.092 1.00 . A A . 1 TYR CG 1 1 1 9 1 1 1 TYR CZ C -3.595 2.812 -1.651 1.00 . A A . 1 TYR CZ 1 1 1 10 1 1 1 TYR H1 H 0.463 4.205 3.236 1.00 . A A . 1 TYR H1 1 1 1 11 1 1 1 TYR H2 H 1.807 4.731 2.306 1.00 . A A . 1 TYR H2 1 1 1 12 1 1 1 TYR H3 H 1.753 3.125 2.910 1.00 . A A . 1 TYR H3 1 1 1 13 1 1 1 TYR HA H 0.132 2.482 1.461 1.00 . A A . 1 TYR HA 1 1 1 14 1 1 1 TYR HB2 H -1.154 4.660 1.967 1.00 . A A . 1 TYR HB2 1 1 1 15 1 1 1 TYR HB3 H -0.282 5.338 0.597 1.00 . A A . 1 TYR HB3 1 1 1 16 1 1 1 TYR HD1 H -2.477 2.460 1.504 1.00 . A A . 1 TYR HD1 1 1 1 17 1 1 1 TYR HD2 H -1.155 5.126 -1.536 1.00 . A A . 1 TYR HD2 1 1 1 18 1 1 1 TYR HE1 H -4.156 1.532 -0.033 1.00 . A A . 1 TYR HE1 1 1 1 19 1 1 1 TYR HE2 H -2.827 4.205 -3.082 1.00 . A A . 1 TYR HE2 1 1 1 20 1 1 1 TYR HH H -4.090 1.839 -3.233 1.00 . A A . 1 TYR HH 1 1 1 21 1 1 1 TYR N N 1.195 3.926 2.552 1.00 . A A . 1 TYR N 1 1 1 22 1 1 1 TYR O O 2.626 3.875 0.242 1.00 . A A . 1 TYR O 1 1 1 23 1 1 1 TYR OH O -4.533 2.295 -2.514 1.00 . A A . 1 TYR OH 1 1 1 24 1 1 2 GLY C C 1.401 1.842 -3.144 1.00 . A A . 2 GLY C 1 1 1 25 1 1 2 GLY CA C 1.784 2.986 -2.224 1.00 . A A . 2 GLY CA 1 1 1 26 1 1 2 GLY H H 0.042 2.734 -1.063 1.00 . A A . 2 GLY H 1 1 1 27 1 1 2 GLY HA2 H 1.663 3.916 -2.758 1.00 . A A . 2 GLY HA2 1 1 1 28 1 1 2 GLY HA3 H 2.818 2.876 -1.940 1.00 . A A . 2 GLY HA3 1 1 1 29 1 1 2 GLY N N 0.971 3.033 -1.027 1.00 . A A . 2 GLY N 1 1 1 30 1 1 2 GLY O O 1.682 1.880 -4.341 1.00 . A A . 2 GLY O 1 1 1 31 1 1 3 GLY C C 1.066 -1.591 -2.989 1.00 . A A . 3 GLY C 1 1 1 32 1 1 3 GLY CA C 0.341 -0.318 -3.378 1.00 . A A . 3 GLY CA 1 1 1 33 1 1 3 GLY H H 0.555 0.848 -1.625 1.00 . A A . 3 GLY H 1 1 1 34 1 1 3 GLY HA2 H -0.720 -0.470 -3.244 1.00 . A A . 3 GLY HA2 1 1 1 35 1 1 3 GLY HA3 H 0.536 -0.111 -4.419 1.00 . A A . 3 GLY HA3 1 1 1 36 1 1 3 GLY N N 0.755 0.823 -2.584 1.00 . A A . 3 GLY N 1 1 1 37 1 1 3 GLY O O 1.274 -2.475 -3.819 1.00 . A A . 3 GLY O 1 1 1 38 1 1 4 PHE C C 1.155 -3.919 -0.750 1.00 . A A . 4 PHE C 1 1 1 39 1 1 4 PHE CA C 2.147 -2.862 -1.218 1.00 . A A . 4 PHE CA 1 1 1 40 1 1 4 PHE CB C 3.081 -2.483 -0.069 1.00 . A A . 4 PHE CB 1 1 1 41 1 1 4 PHE CD1 C 1.620 -1.954 1.903 1.00 . A A . 4 PHE CD1 1 1 1 42 1 1 4 PHE CD2 C 2.774 -0.162 0.832 1.00 . A A . 4 PHE CD2 1 1 1 43 1 1 4 PHE CE1 C 1.066 -1.063 2.803 1.00 . A A . 4 PHE CE1 1 1 1 44 1 1 4 PHE CE2 C 2.223 0.733 1.729 1.00 . A A . 4 PHE CE2 1 1 1 45 1 1 4 PHE CG C 2.479 -1.514 0.909 1.00 . A A . 4 PHE CG 1 1 1 46 1 1 4 PHE CZ C 1.368 0.282 2.716 1.00 . A A . 4 PHE CZ 1 1 1 47 1 1 4 PHE H H 1.246 -0.948 -1.105 1.00 . A A . 4 PHE H 1 1 1 48 1 1 4 PHE HA H 2.732 -3.269 -2.029 1.00 . A A . 4 PHE HA 1 1 1 49 1 1 4 PHE HB2 H 3.346 -3.376 0.476 1.00 . A A . 4 PHE HB2 1 1 1 50 1 1 4 PHE HB3 H 3.976 -2.035 -0.474 1.00 . A A . 4 PHE HB3 1 1 1 51 1 1 4 PHE HD1 H 1.384 -3.005 1.971 1.00 . A A . 4 PHE HD1 1 1 1 52 1 1 4 PHE HD2 H 3.442 0.192 0.062 1.00 . A A . 4 PHE HD2 1 1 1 53 1 1 4 PHE HE1 H 0.398 -1.419 3.573 1.00 . A A . 4 PHE HE1 1 1 1 54 1 1 4 PHE HE2 H 2.461 1.784 1.658 1.00 . A A . 4 PHE HE2 1 1 1 55 1 1 4 PHE HZ H 0.936 0.980 3.418 1.00 . A A . 4 PHE HZ 1 1 1 56 1 1 4 PHE N N 1.446 -1.686 -1.720 1.00 . A A . 4 PHE N 1 1 1 57 1 1 4 PHE O O 1.365 -5.116 -0.943 1.00 . A A . 4 PHE O 1 1 1 58 1 1 5 MET C C -1.797 -4.923 -0.776 1.00 . A A . 5 MET C 1 1 1 59 1 1 5 MET CA C -0.960 -4.363 0.370 1.00 . A A . 5 MET CA 1 1 1 60 1 1 5 MET CB C -1.862 -3.632 1.366 1.00 . A A . 5 MET CB 1 1 1 61 1 1 5 MET CE C -2.344 -0.499 2.729 1.00 . A A . 5 MET CE 1 1 1 62 1 1 5 MET CG C -2.590 -2.439 0.766 1.00 . A A . 5 MET CG 1 1 1 63 1 1 5 MET H H -0.034 -2.497 -0.010 1.00 . A A . 5 MET H 1 1 1 64 1 1 5 MET HA H -0.469 -5.180 0.875 1.00 . A A . 5 MET HA 1 1 1 65 1 1 5 MET HB2 H -2.601 -4.326 1.740 1.00 . A A . 5 MET HB2 1 1 1 66 1 1 5 MET HB3 H -1.260 -3.280 2.190 1.00 . A A . 5 MET HB3 1 1 1 67 1 1 5 MET HE1 H -2.755 -0.028 3.609 1.00 . A A . 5 MET HE1 1 1 1 68 1 1 5 MET HE2 H -2.041 0.260 2.022 1.00 . A A . 5 MET HE2 1 1 1 69 1 1 5 MET HE3 H -1.487 -1.095 3.007 1.00 . A A . 5 MET HE3 1 1 1 70 1 1 5 MET HG2 H -1.860 -1.760 0.353 1.00 . A A . 5 MET HG2 1 1 1 71 1 1 5 MET HG3 H -3.239 -2.790 -0.023 1.00 . A A . 5 MET HG3 1 1 1 72 1 1 5 MET N N 0.073 -3.463 -0.132 1.00 . A A . 5 MET N 1 1 1 73 1 1 5 MET O O -2.968 -5.280 -0.533 1.00 . A A . 5 MET O 1 1 1 74 1 1 5 MET OXT O -1.272 -5.000 -1.907 1.00 . A A . 5 MET OXT 1 1 1 75 1 1 5 MET SD S -3.585 -1.551 1.979 1.00 . A A . 5 MET SD 1 1 2 76 1 1 1 TYR C C 1.383 3.754 -2.118 1.00 . A A . 1 TYR C 1 1 2 77 1 1 1 TYR CA C 2.006 4.110 -0.772 1.00 . A A . 1 TYR CA 1 1 2 78 1 1 1 TYR CB C 1.073 5.032 0.015 1.00 . A A . 1 TYR CB 1 1 2 79 1 1 1 TYR CD1 C 0.242 3.391 1.745 1.00 . A A . 1 TYR CD1 1 1 2 80 1 1 1 TYR CD2 C -1.369 4.515 0.395 1.00 . A A . 1 TYR CD2 1 1 2 81 1 1 1 TYR CE1 C -0.772 2.718 2.401 1.00 . A A . 1 TYR CE1 1 1 2 82 1 1 1 TYR CE2 C -2.388 3.847 1.046 1.00 . A A . 1 TYR CE2 1 1 2 83 1 1 1 TYR CG C -0.039 4.300 0.733 1.00 . A A . 1 TYR CG 1 1 2 84 1 1 1 TYR CZ C -2.084 2.950 2.047 1.00 . A A . 1 TYR CZ 1 1 2 85 1 1 1 TYR H1 H 3.120 5.760 -1.292 1.00 . A A . 1 TYR H1 1 1 2 86 1 1 1 TYR H2 H 3.864 4.253 -1.644 1.00 . A A . 1 TYR H2 1 1 2 87 1 1 1 TYR H3 H 3.788 4.818 -0.025 1.00 . A A . 1 TYR H3 1 1 2 88 1 1 1 TYR HA H 2.169 3.203 -0.209 1.00 . A A . 1 TYR HA 1 1 2 89 1 1 1 TYR HB2 H 1.646 5.569 0.754 1.00 . A A . 1 TYR HB2 1 1 2 90 1 1 1 TYR HB3 H 0.619 5.737 -0.665 1.00 . A A . 1 TYR HB3 1 1 2 91 1 1 1 TYR HD1 H 1.271 3.213 2.021 1.00 . A A . 1 TYR HD1 1 1 2 92 1 1 1 TYR HD2 H -1.603 5.217 -0.392 1.00 . A A . 1 TYR HD2 1 1 2 93 1 1 1 TYR HE1 H -0.534 2.014 3.185 1.00 . A A . 1 TYR HE1 1 1 2 94 1 1 1 TYR HE2 H -3.416 4.028 0.768 1.00 . A A . 1 TYR HE2 1 1 2 95 1 1 1 TYR HH H -3.777 2.908 2.960 1.00 . A A . 1 TYR HH 1 1 2 96 1 1 1 TYR N N 3.312 4.798 -0.949 1.00 . A A . 1 TYR N 1 1 2 97 1 1 1 TYR O O 1.915 4.100 -3.172 1.00 . A A . 1 TYR O 1 1 2 98 1 1 1 TYR OH O -3.097 2.282 2.698 1.00 . A A . 1 TYR OH 1 1 2 99 1 1 2 GLY C C 0.111 1.375 -3.880 1.00 . A A . 2 GLY C 1 1 2 100 1 1 2 GLY CA C -0.430 2.667 -3.294 1.00 . A A . 2 GLY CA 1 1 2 101 1 1 2 GLY H H -0.128 2.812 -1.205 1.00 . A A . 2 GLY H 1 1 2 102 1 1 2 GLY HA2 H -1.481 2.539 -3.081 1.00 . A A . 2 GLY HA2 1 1 2 103 1 1 2 GLY HA3 H -0.317 3.454 -4.026 1.00 . A A . 2 GLY HA3 1 1 2 104 1 1 2 GLY N N 0.250 3.060 -2.074 1.00 . A A . 2 GLY N 1 1 2 105 1 1 2 GLY O O -0.214 1.016 -5.012 1.00 . A A . 2 GLY O 1 1 2 106 1 1 3 GLY C C 2.144 -1.377 -2.462 1.00 . A A . 3 GLY C 1 1 2 107 1 1 3 GLY CA C 1.505 -0.577 -3.578 1.00 . A A . 3 GLY CA 1 1 2 108 1 1 3 GLY H H 1.161 1.003 -2.214 1.00 . A A . 3 GLY H 1 1 2 109 1 1 3 GLY HA2 H 0.720 -1.170 -4.024 1.00 . A A . 3 GLY HA2 1 1 2 110 1 1 3 GLY HA3 H 2.253 -0.363 -4.327 1.00 . A A . 3 GLY HA3 1 1 2 111 1 1 3 GLY N N 0.937 0.672 -3.108 1.00 . A A . 3 GLY N 1 1 2 112 1 1 3 GLY O O 3.102 -2.116 -2.685 1.00 . A A . 3 GLY O 1 1 2 113 1 1 4 PHE C C 1.448 -3.310 0.026 1.00 . A A . 4 PHE C 1 1 2 114 1 1 4 PHE CA C 2.119 -1.951 -0.098 1.00 . A A . 4 PHE CA 1 1 2 115 1 1 4 PHE CB C 1.891 -1.136 1.175 1.00 . A A . 4 PHE CB 1 1 2 116 1 1 4 PHE CD1 C -0.369 -0.060 0.938 1.00 . A A . 4 PHE CD1 1 1 2 117 1 1 4 PHE CD2 C -0.096 -1.780 2.568 1.00 . A A . 4 PHE CD2 1 1 2 118 1 1 4 PHE CE1 C -1.695 0.078 1.301 1.00 . A A . 4 PHE CE1 1 1 2 119 1 1 4 PHE CE2 C -1.421 -1.644 2.937 1.00 . A A . 4 PHE CE2 1 1 2 120 1 1 4 PHE CG C 0.445 -0.991 1.566 1.00 . A A . 4 PHE CG 1 1 2 121 1 1 4 PHE CZ C -2.222 -0.715 2.302 1.00 . A A . 4 PHE CZ 1 1 2 122 1 1 4 PHE H H 0.839 -0.634 -1.147 1.00 . A A . 4 PHE H 1 1 2 123 1 1 4 PHE HA H 3.180 -2.096 -0.240 1.00 . A A . 4 PHE HA 1 1 2 124 1 1 4 PHE HB2 H 2.402 -1.616 1.992 1.00 . A A . 4 PHE HB2 1 1 2 125 1 1 4 PHE HB3 H 2.295 -0.147 1.034 1.00 . A A . 4 PHE HB3 1 1 2 126 1 1 4 PHE HD1 H 0.043 0.561 0.156 1.00 . A A . 4 PHE HD1 1 1 2 127 1 1 4 PHE HD2 H 0.529 -2.507 3.065 1.00 . A A . 4 PHE HD2 1 1 2 128 1 1 4 PHE HE1 H -2.317 0.806 0.802 1.00 . A A . 4 PHE HE1 1 1 2 129 1 1 4 PHE HE2 H -1.831 -2.266 3.720 1.00 . A A . 4 PHE HE2 1 1 2 130 1 1 4 PHE HZ H -3.258 -0.607 2.588 1.00 . A A . 4 PHE HZ 1 1 2 131 1 1 4 PHE N N 1.605 -1.234 -1.257 1.00 . A A . 4 PHE N 1 1 2 132 1 1 4 PHE O O 2.085 -4.308 0.364 1.00 . A A . 4 PHE O 1 1 2 133 1 1 5 MET C C -0.198 -5.538 -1.274 1.00 . A A . 5 MET C 1 1 2 134 1 1 5 MET CA C -0.627 -4.561 -0.185 1.00 . A A . 5 MET CA 1 1 2 135 1 1 5 MET CB C -2.119 -4.253 -0.326 1.00 . A A . 5 MET CB 1 1 2 136 1 1 5 MET CE C -4.208 -1.296 -0.711 1.00 . A A . 5 MET CE 1 1 2 137 1 1 5 MET CG C -2.603 -3.143 0.591 1.00 . A A . 5 MET CG 1 1 2 138 1 1 5 MET H H -0.284 -2.494 -0.518 1.00 . A A . 5 MET H 1 1 2 139 1 1 5 MET HA H -0.450 -5.012 0.780 1.00 . A A . 5 MET HA 1 1 2 140 1 1 5 MET HB2 H -2.319 -3.960 -1.347 1.00 . A A . 5 MET HB2 1 1 2 141 1 1 5 MET HB3 H -2.682 -5.147 -0.101 1.00 . A A . 5 MET HB3 1 1 2 142 1 1 5 MET HE1 H -3.382 -0.685 -0.377 1.00 . A A . 5 MET HE1 1 1 2 143 1 1 5 MET HE2 H -5.123 -0.725 -0.657 1.00 . A A . 5 MET HE2 1 1 2 144 1 1 5 MET HE3 H -4.036 -1.607 -1.731 1.00 . A A . 5 MET HE3 1 1 2 145 1 1 5 MET HG2 H -2.467 -3.456 1.615 1.00 . A A . 5 MET HG2 1 1 2 146 1 1 5 MET HG3 H -2.013 -2.258 0.404 1.00 . A A . 5 MET HG3 1 1 2 147 1 1 5 MET N N 0.155 -3.331 -0.255 1.00 . A A . 5 MET N 1 1 2 148 1 1 5 MET O O 0.966 -5.451 -1.721 1.00 . A A . 5 MET O 1 1 2 149 1 1 5 MET OXT O -1.026 -6.385 -1.669 1.00 . A A . 5 MET OXT 1 1 2 150 1 1 5 MET SD S -4.342 -2.742 0.338 1.00 . A A . 5 MET SD 1 1 3 151 1 1 1 TYR C C 1.544 3.523 0.075 1.00 . A A . 1 TYR C 1 1 3 152 1 1 1 TYR CA C 0.577 3.507 1.255 1.00 . A A . 1 TYR CA 1 1 3 153 1 1 1 TYR CB C -0.603 4.439 0.977 1.00 . A A . 1 TYR CB 1 1 3 154 1 1 1 TYR CD1 C -2.527 2.873 0.506 1.00 . A A . 1 TYR CD1 1 1 3 155 1 1 1 TYR CD2 C -1.734 4.250 -1.270 1.00 . A A . 1 TYR CD2 1 1 3 156 1 1 1 TYR CE1 C -3.475 2.325 -0.338 1.00 . A A . 1 TYR CE1 1 1 3 157 1 1 1 TYR CE2 C -2.677 3.708 -2.120 1.00 . A A . 1 TYR CE2 1 1 3 158 1 1 1 TYR CG C -1.641 3.843 0.055 1.00 . A A . 1 TYR CG 1 1 3 159 1 1 1 TYR CZ C -3.545 2.746 -1.649 1.00 . A A . 1 TYR CZ 1 1 3 160 1 1 1 TYR H1 H 0.660 3.634 3.307 1.00 . A A . 1 TYR H1 1 1 3 161 1 1 1 TYR H2 H 1.317 4.987 2.479 1.00 . A A . 1 TYR H2 1 1 3 162 1 1 1 TYR H3 H 2.186 3.509 2.538 1.00 . A A . 1 TYR H3 1 1 3 163 1 1 1 TYR HA H 0.211 2.501 1.396 1.00 . A A . 1 TYR HA 1 1 3 164 1 1 1 TYR HB2 H -1.087 4.686 1.909 1.00 . A A . 1 TYR HB2 1 1 3 165 1 1 1 TYR HB3 H -0.233 5.343 0.517 1.00 . A A . 1 TYR HB3 1 1 3 166 1 1 1 TYR HD1 H -2.469 2.545 1.533 1.00 . A A . 1 TYR HD1 1 1 3 167 1 1 1 TYR HD2 H -1.051 5.004 -1.636 1.00 . A A . 1 TYR HD2 1 1 3 168 1 1 1 TYR HE1 H -4.154 1.572 0.031 1.00 . A A . 1 TYR HE1 1 1 3 169 1 1 1 TYR HE2 H -2.730 4.038 -3.146 1.00 . A A . 1 TYR HE2 1 1 3 170 1 1 1 TYR HH H -5.298 2.040 -2.003 1.00 . A A . 1 TYR HH 1 1 3 171 1 1 1 TYR N N 1.246 3.949 2.508 1.00 . A A . 1 TYR N 1 1 3 172 1 1 1 TYR O O 2.690 3.952 0.201 1.00 . A A . 1 TYR O 1 1 3 173 1 1 1 TYR OH O -4.489 2.204 -2.492 1.00 . A A . 1 TYR OH 1 1 3 174 1 1 2 GLY C C 1.519 1.883 -3.194 1.00 . A A . 2 GLY C 1 1 3 175 1 1 2 GLY CA C 1.890 3.022 -2.264 1.00 . A A . 2 GLY CA 1 1 3 176 1 1 2 GLY H H 0.150 2.730 -1.112 1.00 . A A . 2 GLY H 1 1 3 177 1 1 2 GLY HA2 H 1.766 3.955 -2.791 1.00 . A A . 2 GLY HA2 1 1 3 178 1 1 2 GLY HA3 H 2.923 2.916 -1.974 1.00 . A A . 2 GLY HA3 1 1 3 179 1 1 2 GLY N N 1.068 3.055 -1.072 1.00 . A A . 2 GLY N 1 1 3 180 1 1 2 GLY O O 1.797 1.938 -4.393 1.00 . A A . 2 GLY O 1 1 3 181 1 1 3 GLY C C 1.119 -1.588 -2.995 1.00 . A A . 3 GLY C 1 1 3 182 1 1 3 GLY CA C 0.485 -0.288 -3.453 1.00 . A A . 3 GLY CA 1 1 3 183 1 1 3 GLY H H 0.687 0.862 -1.686 1.00 . A A . 3 GLY H 1 1 3 184 1 1 3 GLY HA2 H -0.589 -0.388 -3.401 1.00 . A A . 3 GLY HA2 1 1 3 185 1 1 3 GLY HA3 H 0.768 -0.105 -4.479 1.00 . A A . 3 GLY HA3 1 1 3 186 1 1 3 GLY N N 0.887 0.849 -2.645 1.00 . A A . 3 GLY N 1 1 3 187 1 1 3 GLY O O 1.290 -2.513 -3.789 1.00 . A A . 3 GLY O 1 1 3 188 1 1 4 PHE C C 1.015 -3.888 -0.774 1.00 . A A . 4 PHE C 1 1 3 189 1 1 4 PHE CA C 2.078 -2.866 -1.161 1.00 . A A . 4 PHE CA 1 1 3 190 1 1 4 PHE CB C 2.945 -2.528 0.054 1.00 . A A . 4 PHE CB 1 1 3 191 1 1 4 PHE CD1 C 1.407 -1.756 1.884 1.00 . A A . 4 PHE CD1 1 1 3 192 1 1 4 PHE CD2 C 2.815 -0.145 0.830 1.00 . A A . 4 PHE CD2 1 1 3 193 1 1 4 PHE CE1 C 0.887 -0.771 2.701 1.00 . A A . 4 PHE CE1 1 1 3 194 1 1 4 PHE CE2 C 2.300 0.843 1.645 1.00 . A A . 4 PHE CE2 1 1 3 195 1 1 4 PHE CG C 2.375 -1.455 0.939 1.00 . A A . 4 PHE CG 1 1 3 196 1 1 4 PHE CZ C 1.334 0.530 2.582 1.00 . A A . 4 PHE CZ 1 1 3 197 1 1 4 PHE H H 1.303 -0.896 -1.128 1.00 . A A . 4 PHE H 1 1 3 198 1 1 4 PHE HA H 2.705 -3.296 -1.928 1.00 . A A . 4 PHE HA 1 1 3 199 1 1 4 PHE HB2 H 3.068 -3.416 0.653 1.00 . A A . 4 PHE HB2 1 1 3 200 1 1 4 PHE HB3 H 3.912 -2.196 -0.290 1.00 . A A . 4 PHE HB3 1 1 3 201 1 1 4 PHE HD1 H 1.057 -2.774 1.977 1.00 . A A . 4 PHE HD1 1 1 3 202 1 1 4 PHE HD2 H 3.571 0.101 0.097 1.00 . A A . 4 PHE HD2 1 1 3 203 1 1 4 PHE HE1 H 0.132 -1.018 3.433 1.00 . A A . 4 PHE HE1 1 1 3 204 1 1 4 PHE HE2 H 2.651 1.860 1.550 1.00 . A A . 4 PHE HE2 1 1 3 205 1 1 4 PHE HZ H 0.929 1.302 3.220 1.00 . A A . 4 PHE HZ 1 1 3 206 1 1 4 PHE N N 1.465 -1.663 -1.713 1.00 . A A . 4 PHE N 1 1 3 207 1 1 4 PHE O O 1.204 -5.093 -0.945 1.00 . A A . 4 PHE O 1 1 3 208 1 1 5 MET C C -1.853 -4.929 -1.053 1.00 . A A . 5 MET C 1 1 3 209 1 1 5 MET CA C -1.203 -4.265 0.156 1.00 . A A . 5 MET CA 1 1 3 210 1 1 5 MET CB C -2.250 -3.465 0.933 1.00 . A A . 5 MET CB 1 1 3 211 1 1 5 MET CE C -3.599 -0.751 2.466 1.00 . A A . 5 MET CE 1 1 3 212 1 1 5 MET CG C -1.686 -2.733 2.141 1.00 . A A . 5 MET CG 1 1 3 213 1 1 5 MET H H -0.194 -2.429 -0.144 1.00 . A A . 5 MET H 1 1 3 214 1 1 5 MET HA H -0.798 -5.032 0.801 1.00 . A A . 5 MET HA 1 1 3 215 1 1 5 MET HB2 H -2.690 -2.733 0.271 1.00 . A A . 5 MET HB2 1 1 3 216 1 1 5 MET HB3 H -3.021 -4.139 1.275 1.00 . A A . 5 MET HB3 1 1 3 217 1 1 5 MET HE1 H -3.551 0.095 3.136 1.00 . A A . 5 MET HE1 1 1 3 218 1 1 5 MET HE2 H -4.625 -0.919 2.172 1.00 . A A . 5 MET HE2 1 1 3 219 1 1 5 MET HE3 H -3.002 -0.548 1.589 1.00 . A A . 5 MET HE3 1 1 3 220 1 1 5 MET HG2 H -1.005 -3.392 2.659 1.00 . A A . 5 MET HG2 1 1 3 221 1 1 5 MET HG3 H -1.150 -1.861 1.797 1.00 . A A . 5 MET HG3 1 1 3 222 1 1 5 MET N N -0.104 -3.397 -0.254 1.00 . A A . 5 MET N 1 1 3 223 1 1 5 MET O O -3.024 -5.347 -0.939 1.00 . A A . 5 MET O 1 1 3 224 1 1 5 MET OXT O -1.185 -5.026 -2.104 1.00 . A A . 5 MET OXT 1 1 3 225 1 1 5 MET SD S -2.968 -2.208 3.296 1.00 . A A . 5 MET SD 1 1 4 226 1 1 1 TYR C C 1.410 3.468 0.058 1.00 . A A . 1 TYR C 1 1 4 227 1 1 1 TYR CA C 0.427 3.411 1.224 1.00 . A A . 1 TYR CA 1 1 4 228 1 1 1 TYR CB C -0.787 4.296 0.935 1.00 . A A . 1 TYR CB 1 1 4 229 1 1 1 TYR CD1 C -2.608 2.641 0.366 1.00 . A A . 1 TYR CD1 1 1 4 230 1 1 1 TYR CD2 C -1.876 4.143 -1.334 1.00 . A A . 1 TYR CD2 1 1 4 231 1 1 1 TYR CE1 C -3.511 2.078 -0.515 1.00 . A A . 1 TYR CE1 1 1 4 232 1 1 1 TYR CE2 C -2.776 3.588 -2.220 1.00 . A A . 1 TYR CE2 1 1 4 233 1 1 1 TYR CG C -1.776 3.682 -0.028 1.00 . A A . 1 TYR CG 1 1 4 234 1 1 1 TYR CZ C -3.592 2.555 -1.807 1.00 . A A . 1 TYR CZ 1 1 4 235 1 1 1 TYR H1 H 0.451 3.585 3.276 1.00 . A A . 1 TYR H1 1 1 4 236 1 1 1 TYR H2 H 1.137 4.916 2.436 1.00 . A A . 1 TYR H2 1 1 4 237 1 1 1 TYR H3 H 2.000 3.437 2.554 1.00 . A A . 1 TYR H3 1 1 4 238 1 1 1 TYR HA H 0.099 2.390 1.361 1.00 . A A . 1 TYR HA 1 1 4 239 1 1 1 TYR HB2 H -1.306 4.496 1.859 1.00 . A A . 1 TYR HB2 1 1 4 240 1 1 1 TYR HB3 H -0.445 5.227 0.510 1.00 . A A . 1 TYR HB3 1 1 4 241 1 1 1 TYR HD1 H -2.541 2.270 1.378 1.00 . A A . 1 TYR HD1 1 1 4 242 1 1 1 TYR HD2 H -1.235 4.951 -1.655 1.00 . A A . 1 TYR HD2 1 1 4 243 1 1 1 TYR HE1 H -4.150 1.271 -0.191 1.00 . A A . 1 TYR HE1 1 1 4 244 1 1 1 TYR HE2 H -2.836 3.960 -3.232 1.00 . A A . 1 TYR HE2 1 1 4 245 1 1 1 TYR HH H -4.229 1.097 -2.885 1.00 . A A . 1 TYR HH 1 1 4 246 1 1 1 TYR N N 1.061 3.878 2.486 1.00 . A A . 1 TYR N 1 1 4 247 1 1 1 TYR O O 2.542 3.925 0.210 1.00 . A A . 1 TYR O 1 1 4 248 1 1 1 TYR OH O -4.490 1.999 -2.689 1.00 . A A . 1 TYR OH 1 1 4 249 1 1 2 GLY C C 1.505 1.862 -3.225 1.00 . A A . 2 GLY C 1 1 4 250 1 1 2 GLY CA C 1.806 3.012 -2.283 1.00 . A A . 2 GLY CA 1 1 4 251 1 1 2 GLY H H 0.055 2.658 -1.163 1.00 . A A . 2 GLY H 1 1 4 252 1 1 2 GLY HA2 H 1.652 3.940 -2.809 1.00 . A A . 2 GLY HA2 1 1 4 253 1 1 2 GLY HA3 H 2.838 2.951 -1.974 1.00 . A A . 2 GLY HA3 1 1 4 254 1 1 2 GLY N N 0.964 3.005 -1.104 1.00 . A A . 2 GLY N 1 1 4 255 1 1 2 GLY O O 1.875 1.899 -4.398 1.00 . A A . 2 GLY O 1 1 4 256 1 1 3 GLY C C 1.145 -1.592 -3.056 1.00 . A A . 3 GLY C 1 1 4 257 1 1 3 GLY CA C 0.486 -0.311 -3.532 1.00 . A A . 3 GLY CA 1 1 4 258 1 1 3 GLY H H 0.556 0.861 -1.772 1.00 . A A . 3 GLY H 1 1 4 259 1 1 3 GLY HA2 H -0.585 -0.446 -3.510 1.00 . A A . 3 GLY HA2 1 1 4 260 1 1 3 GLY HA3 H 0.793 -0.118 -4.550 1.00 . A A . 3 GLY HA3 1 1 4 261 1 1 3 GLY N N 0.828 0.837 -2.712 1.00 . A A . 3 GLY N 1 1 4 262 1 1 3 GLY O O 1.195 -2.578 -3.791 1.00 . A A . 3 GLY O 1 1 4 263 1 1 4 PHE C C 1.249 -3.801 -0.867 1.00 . A A . 4 PHE C 1 1 4 264 1 1 4 PHE CA C 2.289 -2.763 -1.259 1.00 . A A . 4 PHE CA 1 1 4 265 1 1 4 PHE CB C 3.124 -2.380 -0.037 1.00 . A A . 4 PHE CB 1 1 4 266 1 1 4 PHE CD1 C 1.557 -2.275 1.920 1.00 . A A . 4 PHE CD1 1 1 4 267 1 1 4 PHE CD2 C 2.447 -0.233 1.071 1.00 . A A . 4 PHE CD2 1 1 4 268 1 1 4 PHE CE1 C 0.856 -1.574 2.882 1.00 . A A . 4 PHE CE1 1 1 4 269 1 1 4 PHE CE2 C 1.748 0.473 2.031 1.00 . A A . 4 PHE CE2 1 1 4 270 1 1 4 PHE CG C 2.359 -1.614 1.004 1.00 . A A . 4 PHE CG 1 1 4 271 1 1 4 PHE CZ C 0.951 -0.197 2.938 1.00 . A A . 4 PHE CZ 1 1 4 272 1 1 4 PHE H H 1.568 -0.772 -1.279 1.00 . A A . 4 PHE H 1 1 4 273 1 1 4 PHE HA H 2.937 -3.183 -2.013 1.00 . A A . 4 PHE HA 1 1 4 274 1 1 4 PHE HB2 H 3.499 -3.279 0.425 1.00 . A A . 4 PHE HB2 1 1 4 275 1 1 4 PHE HB3 H 3.956 -1.770 -0.357 1.00 . A A . 4 PHE HB3 1 1 4 276 1 1 4 PHE HD1 H 1.481 -3.352 1.878 1.00 . A A . 4 PHE HD1 1 1 4 277 1 1 4 PHE HD2 H 3.069 0.294 0.362 1.00 . A A . 4 PHE HD2 1 1 4 278 1 1 4 PHE HE1 H 0.233 -2.101 3.590 1.00 . A A . 4 PHE HE1 1 1 4 279 1 1 4 PHE HE2 H 1.824 1.549 2.072 1.00 . A A . 4 PHE HE2 1 1 4 280 1 1 4 PHE HZ H 0.405 0.353 3.688 1.00 . A A . 4 PHE HZ 1 1 4 281 1 1 4 PHE N N 1.643 -1.584 -1.824 1.00 . A A . 4 PHE N 1 1 4 282 1 1 4 PHE O O 1.440 -5.001 -1.068 1.00 . A A . 4 PHE O 1 1 4 283 1 1 5 MET C C -2.044 -4.245 -0.937 1.00 . A A . 5 MET C 1 1 4 284 1 1 5 MET CA C -0.942 -4.197 0.118 1.00 . A A . 5 MET CA 1 1 4 285 1 1 5 MET CB C -1.517 -3.720 1.454 1.00 . A A . 5 MET CB 1 1 4 286 1 1 5 MET CE C -2.165 -0.055 3.120 1.00 . A A . 5 MET CE 1 1 4 287 1 1 5 MET CG C -1.939 -2.259 1.451 1.00 . A A . 5 MET CG 1 1 4 288 1 1 5 MET H H 0.060 -2.356 -0.179 1.00 . A A . 5 MET H 1 1 4 289 1 1 5 MET HA H -0.538 -5.191 0.243 1.00 . A A . 5 MET HA 1 1 4 290 1 1 5 MET HB2 H -2.381 -4.321 1.696 1.00 . A A . 5 MET HB2 1 1 4 291 1 1 5 MET HB3 H -0.770 -3.855 2.222 1.00 . A A . 5 MET HB3 1 1 4 292 1 1 5 MET HE1 H -1.468 0.156 2.322 1.00 . A A . 5 MET HE1 1 1 4 293 1 1 5 MET HE2 H -1.681 0.100 4.072 1.00 . A A . 5 MET HE2 1 1 4 294 1 1 5 MET HE3 H -3.017 0.604 3.038 1.00 . A A . 5 MET HE3 1 1 4 295 1 1 5 MET HG2 H -1.065 -1.646 1.288 1.00 . A A . 5 MET HG2 1 1 4 296 1 1 5 MET HG3 H -2.642 -2.103 0.646 1.00 . A A . 5 MET HG3 1 1 4 297 1 1 5 MET N N 0.145 -3.324 -0.308 1.00 . A A . 5 MET N 1 1 4 298 1 1 5 MET O O -3.100 -4.851 -0.659 1.00 . A A . 5 MET O 1 1 4 299 1 1 5 MET OXT O -1.841 -3.675 -2.030 1.00 . A A . 5 MET OXT 1 1 4 300 1 1 5 MET SD S -2.714 -1.757 3.000 1.00 . A A . 5 MET SD 1 1 5 301 1 1 1 TYR C C 1.531 3.623 -0.051 1.00 . A A . 1 TYR C 1 1 5 302 1 1 1 TYR CA C 0.677 3.703 1.210 1.00 . A A . 1 TYR CA 1 1 5 303 1 1 1 TYR CB C -0.483 4.679 1.000 1.00 . A A . 1 TYR CB 1 1 5 304 1 1 1 TYR CD1 C -2.422 3.104 0.632 1.00 . A A . 1 TYR CD1 1 1 5 305 1 1 1 TYR CD2 C -1.838 4.604 -1.126 1.00 . A A . 1 TYR CD2 1 1 5 306 1 1 1 TYR CE1 C -3.445 2.588 -0.143 1.00 . A A . 1 TYR CE1 1 1 5 307 1 1 1 TYR CE2 C -2.858 4.094 -1.907 1.00 . A A . 1 TYR CE2 1 1 5 308 1 1 1 TYR CG C -1.604 4.119 0.154 1.00 . A A . 1 TYR CG 1 1 5 309 1 1 1 TYR CZ C -3.659 3.087 -1.411 1.00 . A A . 1 TYR CZ 1 1 5 310 1 1 1 TYR H1 H 2.309 3.543 2.452 1.00 . A A . 1 TYR H1 1 1 5 311 1 1 1 TYR H2 H 0.876 4.094 3.220 1.00 . A A . 1 TYR H2 1 1 5 312 1 1 1 TYR H3 H 1.763 5.146 2.194 1.00 . A A . 1 TYR H3 1 1 5 313 1 1 1 TYR HA H 0.281 2.723 1.430 1.00 . A A . 1 TYR HA 1 1 5 314 1 1 1 TYR HB2 H -0.895 4.951 1.959 1.00 . A A . 1 TYR HB2 1 1 5 315 1 1 1 TYR HB3 H -0.109 5.565 0.508 1.00 . A A . 1 TYR HB3 1 1 5 316 1 1 1 TYR HD1 H -2.253 2.715 1.625 1.00 . A A . 1 TYR HD1 1 1 5 317 1 1 1 TYR HD2 H -1.210 5.393 -1.511 1.00 . A A . 1 TYR HD2 1 1 5 318 1 1 1 TYR HE1 H -4.072 1.801 0.246 1.00 . A A . 1 TYR HE1 1 1 5 319 1 1 1 TYR HE2 H -3.022 4.484 -2.900 1.00 . A A . 1 TYR HE2 1 1 5 320 1 1 1 TYR HH H -4.381 2.510 -3.096 1.00 . A A . 1 TYR HH 1 1 5 321 1 1 1 TYR N N 1.479 4.163 2.374 1.00 . A A . 1 TYR N 1 1 5 322 1 1 1 TYR O O 2.712 3.968 -0.037 1.00 . A A . 1 TYR O 1 1 5 323 1 1 1 TYR OH O -4.675 2.577 -2.185 1.00 . A A . 1 TYR OH 1 1 5 324 1 1 2 GLY C C 1.191 1.842 -3.202 1.00 . A A . 2 GLY C 1 1 5 325 1 1 2 GLY CA C 1.633 3.048 -2.397 1.00 . A A . 2 GLY CA 1 1 5 326 1 1 2 GLY H H -0.017 2.908 -1.090 1.00 . A A . 2 GLY H 1 1 5 327 1 1 2 GLY HA2 H 1.454 3.939 -2.979 1.00 . A A . 2 GLY HA2 1 1 5 328 1 1 2 GLY HA3 H 2.690 2.966 -2.195 1.00 . A A . 2 GLY HA3 1 1 5 329 1 1 2 GLY N N 0.922 3.166 -1.140 1.00 . A A . 2 GLY N 1 1 5 330 1 1 2 GLY O O 1.396 1.787 -4.414 1.00 . A A . 2 GLY O 1 1 5 331 1 1 3 GLY C C 0.962 -1.539 -2.880 1.00 . A A . 3 GLY C 1 1 5 332 1 1 3 GLY CA C 0.116 -0.325 -3.204 1.00 . A A . 3 GLY CA 1 1 5 333 1 1 3 GLY H H 0.442 0.969 -1.562 1.00 . A A . 3 GLY H 1 1 5 334 1 1 3 GLY HA2 H -0.903 -0.521 -2.904 1.00 . A A . 3 GLY HA2 1 1 5 335 1 1 3 GLY HA3 H 0.141 -0.156 -4.270 1.00 . A A . 3 GLY HA3 1 1 5 336 1 1 3 GLY N N 0.581 0.872 -2.527 1.00 . A A . 3 GLY N 1 1 5 337 1 1 3 GLY O O 1.279 -2.337 -3.762 1.00 . A A . 3 GLY O 1 1 5 338 1 1 4 PHE C C 1.256 -3.970 -0.725 1.00 . A A . 4 PHE C 1 1 5 339 1 1 4 PHE CA C 2.138 -2.809 -1.170 1.00 . A A . 4 PHE CA 1 1 5 340 1 1 4 PHE CB C 3.062 -2.390 -0.026 1.00 . A A . 4 PHE CB 1 1 5 341 1 1 4 PHE CD1 C 1.671 -2.177 2.052 1.00 . A A . 4 PHE CD1 1 1 5 342 1 1 4 PHE CD2 C 2.456 -0.184 1.003 1.00 . A A . 4 PHE CD2 1 1 5 343 1 1 4 PHE CE1 C 1.046 -1.422 3.026 1.00 . A A . 4 PHE CE1 1 1 5 344 1 1 4 PHE CE2 C 1.833 0.576 1.974 1.00 . A A . 4 PHE CE2 1 1 5 345 1 1 4 PHE CG C 2.382 -1.567 1.031 1.00 . A A . 4 PHE CG 1 1 5 346 1 1 4 PHE CZ C 1.127 -0.043 2.987 1.00 . A A . 4 PHE CZ 1 1 5 347 1 1 4 PHE H H 1.039 -1.012 -0.954 1.00 . A A . 4 PHE H 1 1 5 348 1 1 4 PHE HA H 2.739 -3.130 -2.007 1.00 . A A . 4 PHE HA 1 1 5 349 1 1 4 PHE HB2 H 3.456 -3.275 0.449 1.00 . A A . 4 PHE HB2 1 1 5 350 1 1 4 PHE HB3 H 3.878 -1.809 -0.427 1.00 . A A . 4 PHE HB3 1 1 5 351 1 1 4 PHE HD1 H 1.607 -3.254 2.083 1.00 . A A . 4 PHE HD1 1 1 5 352 1 1 4 PHE HD2 H 3.008 0.301 0.211 1.00 . A A . 4 PHE HD2 1 1 5 353 1 1 4 PHE HE1 H 0.495 -1.908 3.816 1.00 . A A . 4 PHE HE1 1 1 5 354 1 1 4 PHE HE2 H 1.898 1.654 1.940 1.00 . A A . 4 PHE HE2 1 1 5 355 1 1 4 PHE HZ H 0.640 0.550 3.747 1.00 . A A . 4 PHE HZ 1 1 5 356 1 1 4 PHE N N 1.326 -1.681 -1.610 1.00 . A A . 4 PHE N 1 1 5 357 1 1 4 PHE O O 1.554 -5.132 -1.003 1.00 . A A . 4 PHE O 1 1 5 358 1 1 5 MET C C -1.785 -5.019 -0.618 1.00 . A A . 5 MET C 1 1 5 359 1 1 5 MET CA C -0.757 -4.660 0.451 1.00 . A A . 5 MET CA 1 1 5 360 1 1 5 MET CB C -1.468 -4.183 1.725 1.00 . A A . 5 MET CB 1 1 5 361 1 1 5 MET CE C -3.046 -0.485 0.577 1.00 . A A . 5 MET CE 1 1 5 362 1 1 5 MET CG C -1.851 -2.708 1.720 1.00 . A A . 5 MET CG 1 1 5 363 1 1 5 MET H H -0.009 -2.702 0.154 1.00 . A A . 5 MET H 1 1 5 364 1 1 5 MET HA H -0.182 -5.544 0.685 1.00 . A A . 5 MET HA 1 1 5 365 1 1 5 MET HB2 H -2.368 -4.762 1.856 1.00 . A A . 5 MET HB2 1 1 5 366 1 1 5 MET HB3 H -0.815 -4.357 2.567 1.00 . A A . 5 MET HB3 1 1 5 367 1 1 5 MET HE1 H -4.081 -0.201 0.452 1.00 . A A . 5 MET HE1 1 1 5 368 1 1 5 MET HE2 H -2.438 0.050 -0.137 1.00 . A A . 5 MET HE2 1 1 5 369 1 1 5 MET HE3 H -2.724 -0.241 1.579 1.00 . A A . 5 MET HE3 1 1 5 370 1 1 5 MET HG2 H -2.399 -2.492 2.624 1.00 . A A . 5 MET HG2 1 1 5 371 1 1 5 MET HG3 H -0.947 -2.115 1.703 1.00 . A A . 5 MET HG3 1 1 5 372 1 1 5 MET N N 0.171 -3.645 -0.033 1.00 . A A . 5 MET N 1 1 5 373 1 1 5 MET O O -1.910 -4.252 -1.596 1.00 . A A . 5 MET O 1 1 5 374 1 1 5 MET OXT O -2.454 -6.063 -0.469 1.00 . A A . 5 MET OXT 1 1 5 375 1 1 5 MET SD S -2.872 -2.246 0.307 1.00 . A A . 5 MET SD 1 1 6 376 1 1 1 TYR C C 1.459 3.427 0.165 1.00 . A A . 1 TYR C 1 1 6 377 1 1 1 TYR CA C 0.445 3.380 1.304 1.00 . A A . 1 TYR CA 1 1 6 378 1 1 1 TYR CB C -0.727 4.315 1.003 1.00 . A A . 1 TYR CB 1 1 6 379 1 1 1 TYR CD1 C -2.632 2.765 0.414 1.00 . A A . 1 TYR CD1 1 1 6 380 1 1 1 TYR CD2 C -1.766 4.187 -1.291 1.00 . A A . 1 TYR CD2 1 1 6 381 1 1 1 TYR CE1 C -3.545 2.242 -0.482 1.00 . A A . 1 TYR CE1 1 1 6 382 1 1 1 TYR CE2 C -2.675 3.670 -2.193 1.00 . A A . 1 TYR CE2 1 1 6 383 1 1 1 TYR CG C -1.728 3.745 0.025 1.00 . A A . 1 TYR CG 1 1 6 384 1 1 1 TYR CZ C -3.562 2.697 -1.784 1.00 . A A . 1 TYR CZ 1 1 6 385 1 1 1 TYR H1 H 1.398 4.775 2.480 1.00 . A A . 1 TYR H1 1 1 6 386 1 1 1 TYR H2 H 1.854 3.150 2.788 1.00 . A A . 1 TYR H2 1 1 6 387 1 1 1 TYR H3 H 0.333 3.734 3.329 1.00 . A A . 1 TYR H3 1 1 6 388 1 1 1 TYR HA H 0.077 2.370 1.410 1.00 . A A . 1 TYR HA 1 1 6 389 1 1 1 TYR HB2 H -1.250 4.535 1.921 1.00 . A A . 1 TYR HB2 1 1 6 390 1 1 1 TYR HB3 H -0.342 5.234 0.585 1.00 . A A . 1 TYR HB3 1 1 6 391 1 1 1 TYR HD1 H -2.617 2.411 1.433 1.00 . A A . 1 TYR HD1 1 1 6 392 1 1 1 TYR HD2 H -1.069 4.949 -1.609 1.00 . A A . 1 TYR HD2 1 1 6 393 1 1 1 TYR HE1 H -4.240 1.480 -0.162 1.00 . A A . 1 TYR HE1 1 1 6 394 1 1 1 TYR HE2 H -2.685 4.026 -3.212 1.00 . A A . 1 TYR HE2 1 1 6 395 1 1 1 TYR HH H -5.195 2.798 -2.795 1.00 . A A . 1 TYR HH 1 1 6 396 1 1 1 TYR N N 1.064 3.797 2.591 1.00 . A A . 1 TYR N 1 1 6 397 1 1 1 TYR O O 2.599 3.850 0.350 1.00 . A A . 1 TYR O 1 1 6 398 1 1 1 TYR OH O -4.470 2.180 -2.679 1.00 . A A . 1 TYR OH 1 1 6 399 1 1 2 GLY C C 1.584 1.873 -3.143 1.00 . A A . 2 GLY C 1 1 6 400 1 1 2 GLY CA C 1.900 2.994 -2.171 1.00 . A A . 2 GLY CA 1 1 6 401 1 1 2 GLY H H 0.113 2.671 -1.101 1.00 . A A . 2 GLY H 1 1 6 402 1 1 2 GLY HA2 H 1.789 3.937 -2.683 1.00 . A A . 2 GLY HA2 1 1 6 403 1 1 2 GLY HA3 H 2.922 2.893 -1.839 1.00 . A A . 2 GLY HA3 1 1 6 404 1 1 2 GLY N N 1.030 2.993 -1.014 1.00 . A A . 2 GLY N 1 1 6 405 1 1 2 GLY O O 1.960 1.935 -4.314 1.00 . A A . 2 GLY O 1 1 6 406 1 1 3 GLY C C 1.143 -1.586 -3.043 1.00 . A A . 3 GLY C 1 1 6 407 1 1 3 GLY CA C 0.537 -0.276 -3.512 1.00 . A A . 3 GLY CA 1 1 6 408 1 1 3 GLY H H 0.616 0.849 -1.720 1.00 . A A . 3 GLY H 1 1 6 409 1 1 3 GLY HA2 H -0.538 -0.376 -3.523 1.00 . A A . 3 GLY HA2 1 1 6 410 1 1 3 GLY HA3 H 0.879 -0.073 -4.515 1.00 . A A . 3 GLY HA3 1 1 6 411 1 1 3 GLY N N 0.892 0.845 -2.659 1.00 . A A . 3 GLY N 1 1 6 412 1 1 3 GLY O O 1.297 -2.520 -3.829 1.00 . A A . 3 GLY O 1 1 6 413 1 1 4 PHE C C 0.986 -3.863 -0.804 1.00 . A A . 4 PHE C 1 1 6 414 1 1 4 PHE CA C 2.071 -2.868 -1.195 1.00 . A A . 4 PHE CA 1 1 6 415 1 1 4 PHE CB C 2.934 -2.536 0.025 1.00 . A A . 4 PHE CB 1 1 6 416 1 1 4 PHE CD1 C 1.337 -1.753 1.798 1.00 . A A . 4 PHE CD1 1 1 6 417 1 1 4 PHE CD2 C 2.849 -0.169 0.853 1.00 . A A . 4 PHE CD2 1 1 6 418 1 1 4 PHE CE1 C 0.811 -0.770 2.613 1.00 . A A . 4 PHE CE1 1 1 6 419 1 1 4 PHE CE2 C 2.326 0.819 1.665 1.00 . A A . 4 PHE CE2 1 1 6 420 1 1 4 PHE CG C 2.360 -1.464 0.909 1.00 . A A . 4 PHE CG 1 1 6 421 1 1 4 PHE CZ C 1.305 0.519 2.547 1.00 . A A . 4 PHE CZ 1 1 6 422 1 1 4 PHE H H 1.336 -0.883 -1.181 1.00 . A A . 4 PHE H 1 1 6 423 1 1 4 PHE HA H 2.696 -3.317 -1.953 1.00 . A A . 4 PHE HA 1 1 6 424 1 1 4 PHE HB2 H 3.051 -3.425 0.622 1.00 . A A . 4 PHE HB2 1 1 6 425 1 1 4 PHE HB3 H 3.906 -2.204 -0.311 1.00 . A A . 4 PHE HB3 1 1 6 426 1 1 4 PHE HD1 H 0.950 -2.760 1.850 1.00 . A A . 4 PHE HD1 1 1 6 427 1 1 4 PHE HD2 H 3.646 0.067 0.164 1.00 . A A . 4 PHE HD2 1 1 6 428 1 1 4 PHE HE1 H 0.012 -1.007 3.301 1.00 . A A . 4 PHE HE1 1 1 6 429 1 1 4 PHE HE2 H 2.715 1.824 1.611 1.00 . A A . 4 PHE HE2 1 1 6 430 1 1 4 PHE HZ H 0.896 1.288 3.182 1.00 . A A . 4 PHE HZ 1 1 6 431 1 1 4 PHE N N 1.485 -1.658 -1.760 1.00 . A A . 4 PHE N 1 1 6 432 1 1 4 PHE O O 1.156 -5.073 -0.946 1.00 . A A . 4 PHE O 1 1 6 433 1 1 5 MET C C -1.893 -4.858 -1.100 1.00 . A A . 5 MET C 1 1 6 434 1 1 5 MET CA C -1.248 -4.180 0.105 1.00 . A A . 5 MET CA 1 1 6 435 1 1 5 MET CB C -2.292 -3.346 0.851 1.00 . A A . 5 MET CB 1 1 6 436 1 1 5 MET CE C -2.535 -0.361 3.517 1.00 . A A . 5 MET CE 1 1 6 437 1 1 5 MET CG C -1.715 -2.524 1.992 1.00 . A A . 5 MET CG 1 1 6 438 1 1 5 MET H H -0.200 -2.368 -0.218 1.00 . A A . 5 MET H 1 1 6 439 1 1 5 MET HA H -0.864 -4.940 0.770 1.00 . A A . 5 MET HA 1 1 6 440 1 1 5 MET HB2 H -2.762 -2.671 0.152 1.00 . A A . 5 MET HB2 1 1 6 441 1 1 5 MET HB3 H -3.042 -4.009 1.258 1.00 . A A . 5 MET HB3 1 1 6 442 1 1 5 MET HE1 H -1.741 -0.305 4.246 1.00 . A A . 5 MET HE1 1 1 6 443 1 1 5 MET HE2 H -3.403 0.163 3.890 1.00 . A A . 5 MET HE2 1 1 6 444 1 1 5 MET HE3 H -2.209 0.094 2.593 1.00 . A A . 5 MET HE3 1 1 6 445 1 1 5 MET HG2 H -0.940 -3.099 2.476 1.00 . A A . 5 MET HG2 1 1 6 446 1 1 5 MET HG3 H -1.289 -1.619 1.585 1.00 . A A . 5 MET HG3 1 1 6 447 1 1 5 MET N N -0.129 -3.341 -0.308 1.00 . A A . 5 MET N 1 1 6 448 1 1 5 MET O O -1.650 -4.400 -2.236 1.00 . A A . 5 MET O 1 1 6 449 1 1 5 MET OXT O -2.634 -5.843 -0.897 1.00 . A A . 5 MET OXT 1 1 6 450 1 1 5 MET SD S -2.955 -2.076 3.222 1.00 . A A . 5 MET SD 1 1 7 451 1 1 1 TYR C C 1.447 3.479 0.130 1.00 . A A . 1 TYR C 1 1 7 452 1 1 1 TYR CA C 0.441 3.493 1.278 1.00 . A A . 1 TYR CA 1 1 7 453 1 1 1 TYR CB C -0.700 4.462 0.963 1.00 . A A . 1 TYR CB 1 1 7 454 1 1 1 TYR CD1 C -2.589 2.910 0.329 1.00 . A A . 1 TYR CD1 1 1 7 455 1 1 1 TYR CD2 C -1.761 4.414 -1.325 1.00 . A A . 1 TYR CD2 1 1 7 456 1 1 1 TYR CE1 C -3.504 2.410 -0.578 1.00 . A A . 1 TYR CE1 1 1 7 457 1 1 1 TYR CE2 C -2.672 3.921 -2.237 1.00 . A A . 1 TYR CE2 1 1 7 458 1 1 1 TYR CG C -1.704 3.919 -0.028 1.00 . A A . 1 TYR CG 1 1 7 459 1 1 1 TYR CZ C -3.541 2.919 -1.860 1.00 . A A . 1 TYR CZ 1 1 7 460 1 1 1 TYR H1 H 1.713 4.714 2.340 1.00 . A A . 1 TYR H1 1 1 7 461 1 1 1 TYR H2 H 1.618 3.101 2.920 1.00 . A A . 1 TYR H2 1 1 7 462 1 1 1 TYR H3 H 0.329 4.197 3.208 1.00 . A A . 1 TYR H3 1 1 7 463 1 1 1 TYR HA H 0.039 2.500 1.407 1.00 . A A . 1 TYR HA 1 1 7 464 1 1 1 TYR HB2 H -1.228 4.697 1.874 1.00 . A A . 1 TYR HB2 1 1 7 465 1 1 1 TYR HB3 H -0.285 5.369 0.549 1.00 . A A . 1 TYR HB3 1 1 7 466 1 1 1 TYR HD1 H -2.557 2.514 1.333 1.00 . A A . 1 TYR HD1 1 1 7 467 1 1 1 TYR HD2 H -1.079 5.198 -1.618 1.00 . A A . 1 TYR HD2 1 1 7 468 1 1 1 TYR HE1 H -4.185 1.627 -0.283 1.00 . A A . 1 TYR HE1 1 1 7 469 1 1 1 TYR HE2 H -2.698 4.317 -3.241 1.00 . A A . 1 TYR HE2 1 1 7 470 1 1 1 TYR HH H -4.800 3.144 -3.296 1.00 . A A . 1 TYR HH 1 1 7 471 1 1 1 TYR N N 1.083 3.914 2.552 1.00 . A A . 1 TYR N 1 1 7 472 1 1 1 TYR O O 2.608 3.851 0.303 1.00 . A A . 1 TYR O 1 1 7 473 1 1 1 TYR OH O -4.450 2.424 -2.767 1.00 . A A . 1 TYR OH 1 1 7 474 1 1 2 GLY C C 1.485 1.865 -3.144 1.00 . A A . 2 GLY C 1 1 7 475 1 1 2 GLY CA C 1.851 2.996 -2.204 1.00 . A A . 2 GLY CA 1 1 7 476 1 1 2 GLY H H 0.059 2.771 -1.117 1.00 . A A . 2 GLY H 1 1 7 477 1 1 2 GLY HA2 H 1.768 3.930 -2.736 1.00 . A A . 2 GLY HA2 1 1 7 478 1 1 2 GLY HA3 H 2.871 2.865 -1.878 1.00 . A A . 2 GLY HA3 1 1 7 479 1 1 2 GLY N N 0.990 3.051 -1.041 1.00 . A A . 2 GLY N 1 1 7 480 1 1 2 GLY O O 1.802 1.912 -4.333 1.00 . A A . 2 GLY O 1 1 7 481 1 1 3 GLY C C 1.089 -1.575 -3.015 1.00 . A A . 3 GLY C 1 1 7 482 1 1 3 GLY CA C 0.413 -0.284 -3.431 1.00 . A A . 3 GLY CA 1 1 7 483 1 1 3 GLY H H 0.586 0.864 -1.662 1.00 . A A . 3 GLY H 1 1 7 484 1 1 3 GLY HA2 H -0.656 -0.411 -3.349 1.00 . A A . 3 GLY HA2 1 1 7 485 1 1 3 GLY HA3 H 0.662 -0.076 -4.462 1.00 . A A . 3 GLY HA3 1 1 7 486 1 1 3 GLY N N 0.814 0.847 -2.615 1.00 . A A . 3 GLY N 1 1 7 487 1 1 3 GLY O O 1.314 -2.460 -3.840 1.00 . A A . 3 GLY O 1 1 7 488 1 1 4 PHE C C 1.031 -3.926 -0.804 1.00 . A A . 4 PHE C 1 1 7 489 1 1 4 PHE CA C 2.063 -2.880 -1.208 1.00 . A A . 4 PHE CA 1 1 7 490 1 1 4 PHE CB C 2.946 -2.533 -0.007 1.00 . A A . 4 PHE CB 1 1 7 491 1 1 4 PHE CD1 C 1.420 -1.956 1.901 1.00 . A A . 4 PHE CD1 1 1 7 492 1 1 4 PHE CD2 C 2.660 -0.199 0.870 1.00 . A A . 4 PHE CD2 1 1 7 493 1 1 4 PHE CE1 C 0.853 -1.047 2.775 1.00 . A A . 4 PHE CE1 1 1 7 494 1 1 4 PHE CE2 C 2.097 0.714 1.740 1.00 . A A . 4 PHE CE2 1 1 7 495 1 1 4 PHE CG C 2.328 -1.542 0.940 1.00 . A A . 4 PHE CG 1 1 7 496 1 1 4 PHE CZ C 1.193 0.290 2.694 1.00 . A A . 4 PHE CZ 1 1 7 497 1 1 4 PHE H H 1.205 -0.946 -1.121 1.00 . A A . 4 PHE H 1 1 7 498 1 1 4 PHE HA H 2.684 -3.288 -1.992 1.00 . A A . 4 PHE HA 1 1 7 499 1 1 4 PHE HB2 H 3.150 -3.434 0.548 1.00 . A A . 4 PHE HB2 1 1 7 500 1 1 4 PHE HB3 H 3.876 -2.116 -0.364 1.00 . A A . 4 PHE HB3 1 1 7 501 1 1 4 PHE HD1 H 1.154 -3.001 1.965 1.00 . A A . 4 PHE HD1 1 1 7 502 1 1 4 PHE HD2 H 3.367 0.133 0.124 1.00 . A A . 4 PHE HD2 1 1 7 503 1 1 4 PHE HE1 H 0.147 -1.382 3.519 1.00 . A A . 4 PHE HE1 1 1 7 504 1 1 4 PHE HE2 H 2.365 1.758 1.676 1.00 . A A . 4 PHE HE2 1 1 7 505 1 1 4 PHE HZ H 0.752 1.001 3.375 1.00 . A A . 4 PHE HZ 1 1 7 506 1 1 4 PHE N N 1.412 -1.684 -1.731 1.00 . A A . 4 PHE N 1 1 7 507 1 1 4 PHE O O 1.237 -5.124 -0.995 1.00 . A A . 4 PHE O 1 1 7 508 1 1 5 MET C C -1.823 -5.015 -1.010 1.00 . A A . 5 MET C 1 1 7 509 1 1 5 MET CA C -1.149 -4.353 0.187 1.00 . A A . 5 MET CA 1 1 7 510 1 1 5 MET CB C -2.186 -3.582 1.007 1.00 . A A . 5 MET CB 1 1 7 511 1 1 5 MET CE C -2.515 -0.236 3.064 1.00 . A A . 5 MET CE 1 1 7 512 1 1 5 MET CG C -1.576 -2.624 2.017 1.00 . A A . 5 MET CG 1 1 7 513 1 1 5 MET H H -0.181 -2.494 -0.121 1.00 . A A . 5 MET H 1 1 7 514 1 1 5 MET HA H -0.710 -5.120 0.809 1.00 . A A . 5 MET HA 1 1 7 515 1 1 5 MET HB2 H -2.808 -3.011 0.334 1.00 . A A . 5 MET HB2 1 1 7 516 1 1 5 MET HB3 H -2.804 -4.289 1.541 1.00 . A A . 5 MET HB3 1 1 7 517 1 1 5 MET HE1 H -2.732 0.237 4.010 1.00 . A A . 5 MET HE1 1 1 7 518 1 1 5 MET HE2 H -3.164 0.170 2.301 1.00 . A A . 5 MET HE2 1 1 7 519 1 1 5 MET HE3 H -1.485 -0.050 2.796 1.00 . A A . 5 MET HE3 1 1 7 520 1 1 5 MET HG2 H -0.798 -3.141 2.559 1.00 . A A . 5 MET HG2 1 1 7 521 1 1 5 MET HG3 H -1.148 -1.787 1.486 1.00 . A A . 5 MET HG3 1 1 7 522 1 1 5 MET N N -0.079 -3.461 -0.246 1.00 . A A . 5 MET N 1 1 7 523 1 1 5 MET O O -2.037 -6.244 -0.963 1.00 . A A . 5 MET O 1 1 7 524 1 1 5 MET OXT O -2.133 -4.298 -1.984 1.00 . A A . 5 MET OXT 1 1 7 525 1 1 5 MET SD S -2.785 -2.000 3.201 1.00 . A A . 5 MET SD 1 1 8 526 1 1 1 TYR C C 1.697 3.846 -0.159 1.00 . A A . 1 TYR C 1 1 8 527 1 1 1 TYR CA C 0.865 3.841 1.120 1.00 . A A . 1 TYR CA 1 1 8 528 1 1 1 TYR CB C -0.433 4.620 0.902 1.00 . A A . 1 TYR CB 1 1 8 529 1 1 1 TYR CD1 C -2.218 2.843 0.708 1.00 . A A . 1 TYR CD1 1 1 8 530 1 1 1 TYR CD2 C -1.722 4.159 -1.217 1.00 . A A . 1 TYR CD2 1 1 8 531 1 1 1 TYR CE1 C -3.171 2.146 -0.010 1.00 . A A . 1 TYR CE1 1 1 8 532 1 1 1 TYR CE2 C -2.672 3.468 -1.941 1.00 . A A . 1 TYR CE2 1 1 8 533 1 1 1 TYR CG C -1.479 3.860 0.118 1.00 . A A . 1 TYR CG 1 1 8 534 1 1 1 TYR CZ C -3.395 2.462 -1.334 1.00 . A A . 1 TYR CZ 1 1 8 535 1 1 1 TYR H1 H 2.587 4.118 2.209 1.00 . A A . 1 TYR H1 1 1 8 536 1 1 1 TYR H2 H 1.140 4.178 3.130 1.00 . A A . 1 TYR H2 1 1 8 537 1 1 1 TYR H3 H 1.572 5.494 2.117 1.00 . A A . 1 TYR H3 1 1 8 538 1 1 1 TYR HA H 0.628 2.821 1.383 1.00 . A A . 1 TYR HA 1 1 8 539 1 1 1 TYR HB2 H -0.857 4.876 1.860 1.00 . A A . 1 TYR HB2 1 1 8 540 1 1 1 TYR HB3 H -0.209 5.526 0.359 1.00 . A A . 1 TYR HB3 1 1 8 541 1 1 1 TYR HD1 H -2.041 2.599 1.745 1.00 . A A . 1 TYR HD1 1 1 8 542 1 1 1 TYR HD2 H -1.155 4.948 -1.689 1.00 . A A . 1 TYR HD2 1 1 8 543 1 1 1 TYR HE1 H -3.736 1.359 0.467 1.00 . A A . 1 TYR HE1 1 1 8 544 1 1 1 TYR HE2 H -2.843 3.716 -2.978 1.00 . A A . 1 TYR HE2 1 1 8 545 1 1 1 TYR HH H -4.044 0.869 -2.194 1.00 . A A . 1 TYR HH 1 1 8 546 1 1 1 TYR N N 1.607 4.463 2.246 1.00 . A A . 1 TYR N 1 1 8 547 1 1 1 TYR O O 2.797 4.399 -0.196 1.00 . A A . 1 TYR O 1 1 8 548 1 1 1 TYR OH O -4.343 1.770 -2.053 1.00 . A A . 1 TYR OH 1 1 8 549 1 1 2 GLY C C 1.393 2.009 -3.331 1.00 . A A . 2 GLY C 1 1 8 550 1 1 2 GLY CA C 1.850 3.174 -2.475 1.00 . A A . 2 GLY CA 1 1 8 551 1 1 2 GLY H H 0.284 2.815 -1.114 1.00 . A A . 2 GLY H 1 1 8 552 1 1 2 GLY HA2 H 1.661 4.091 -3.008 1.00 . A A . 2 GLY HA2 1 1 8 553 1 1 2 GLY HA3 H 2.909 3.081 -2.294 1.00 . A A . 2 GLY HA3 1 1 8 554 1 1 2 GLY N N 1.159 3.230 -1.204 1.00 . A A . 2 GLY N 1 1 8 555 1 1 2 GLY O O 1.399 2.094 -4.559 1.00 . A A . 2 GLY O 1 1 8 556 1 1 3 GLY C C 1.189 -1.530 -2.948 1.00 . A A . 3 GLY C 1 1 8 557 1 1 3 GLY CA C 0.528 -0.245 -3.412 1.00 . A A . 3 GLY CA 1 1 8 558 1 1 3 GLY H H 1.004 0.912 -1.703 1.00 . A A . 3 GLY H 1 1 8 559 1 1 3 GLY HA2 H -0.539 -0.336 -3.279 1.00 . A A . 3 GLY HA2 1 1 8 560 1 1 3 GLY HA3 H 0.738 -0.105 -4.462 1.00 . A A . 3 GLY HA3 1 1 8 561 1 1 3 GLY N N 0.990 0.921 -2.683 1.00 . A A . 3 GLY N 1 1 8 562 1 1 3 GLY O O 1.481 -2.410 -3.758 1.00 . A A . 3 GLY O 1 1 8 563 1 1 4 PHE C C 0.998 -3.895 -0.759 1.00 . A A . 4 PHE C 1 1 8 564 1 1 4 PHE CA C 2.045 -2.835 -1.082 1.00 . A A . 4 PHE CA 1 1 8 565 1 1 4 PHE CB C 2.843 -2.489 0.179 1.00 . A A . 4 PHE CB 1 1 8 566 1 1 4 PHE CD1 C 1.185 -1.828 1.943 1.00 . A A . 4 PHE CD1 1 1 8 567 1 1 4 PHE CD2 C 2.589 -0.138 1.018 1.00 . A A . 4 PHE CD2 1 1 8 568 1 1 4 PHE CE1 C 0.587 -0.888 2.760 1.00 . A A . 4 PHE CE1 1 1 8 569 1 1 4 PHE CE2 C 1.995 0.806 1.833 1.00 . A A . 4 PHE CE2 1 1 8 570 1 1 4 PHE CG C 2.190 -1.464 1.063 1.00 . A A . 4 PHE CG 1 1 8 571 1 1 4 PHE CZ C 0.992 0.431 2.706 1.00 . A A . 4 PHE CZ 1 1 8 572 1 1 4 PHE H H 1.164 -0.912 -1.046 1.00 . A A . 4 PHE H 1 1 8 573 1 1 4 PHE HA H 2.721 -3.232 -1.825 1.00 . A A . 4 PHE HA 1 1 8 574 1 1 4 PHE HB2 H 2.978 -3.385 0.762 1.00 . A A . 4 PHE HB2 1 1 8 575 1 1 4 PHE HB3 H 3.809 -2.107 -0.115 1.00 . A A . 4 PHE HB3 1 1 8 576 1 1 4 PHE HD1 H 0.867 -2.859 1.987 1.00 . A A . 4 PHE HD1 1 1 8 577 1 1 4 PHE HD2 H 3.372 0.157 0.335 1.00 . A A . 4 PHE HD2 1 1 8 578 1 1 4 PHE HE1 H -0.196 -1.184 3.442 1.00 . A A . 4 PHE HE1 1 1 8 579 1 1 4 PHE HE2 H 2.315 1.836 1.788 1.00 . A A . 4 PHE HE2 1 1 8 580 1 1 4 PHE HZ H 0.528 1.168 3.344 1.00 . A A . 4 PHE HZ 1 1 8 581 1 1 4 PHE N N 1.421 -1.642 -1.643 1.00 . A A . 4 PHE N 1 1 8 582 1 1 4 PHE O O 1.235 -5.090 -0.931 1.00 . A A . 4 PHE O 1 1 8 583 1 1 5 MET C C -1.813 -5.026 -1.191 1.00 . A A . 5 MET C 1 1 8 584 1 1 5 MET CA C -1.248 -4.353 0.057 1.00 . A A . 5 MET CA 1 1 8 585 1 1 5 MET CB C -2.361 -3.596 0.784 1.00 . A A . 5 MET CB 1 1 8 586 1 1 5 MET CE C -3.214 -0.729 2.398 1.00 . A A . 5 MET CE 1 1 8 587 1 1 5 MET CG C -2.009 -3.215 2.212 1.00 . A A . 5 MET CG 1 1 8 588 1 1 5 MET H H -0.286 -2.482 -0.175 1.00 . A A . 5 MET H 1 1 8 589 1 1 5 MET HA H -0.851 -5.113 0.714 1.00 . A A . 5 MET HA 1 1 8 590 1 1 5 MET HB2 H -2.582 -2.692 0.237 1.00 . A A . 5 MET HB2 1 1 8 591 1 1 5 MET HB3 H -3.246 -4.216 0.808 1.00 . A A . 5 MET HB3 1 1 8 592 1 1 5 MET HE1 H -2.172 -0.493 2.248 1.00 . A A . 5 MET HE1 1 1 8 593 1 1 5 MET HE2 H -3.648 -0.021 3.089 1.00 . A A . 5 MET HE2 1 1 8 594 1 1 5 MET HE3 H -3.735 -0.672 1.453 1.00 . A A . 5 MET HE3 1 1 8 595 1 1 5 MET HG2 H -1.754 -4.111 2.758 1.00 . A A . 5 MET HG2 1 1 8 596 1 1 5 MET HG3 H -1.156 -2.554 2.192 1.00 . A A . 5 MET HG3 1 1 8 597 1 1 5 MET N N -0.160 -3.446 -0.290 1.00 . A A . 5 MET N 1 1 8 598 1 1 5 MET O O -2.649 -4.397 -1.873 1.00 . A A . 5 MET O 1 1 8 599 1 1 5 MET OXT O -1.413 -6.174 -1.476 1.00 . A A . 5 MET OXT 1 1 8 600 1 1 5 MET SD S -3.362 -2.385 3.063 1.00 . A A . 5 MET SD 1 1 9 601 1 1 1 TYR C C 1.208 3.431 0.476 1.00 . A A . 1 TYR C 1 1 9 602 1 1 1 TYR CA C 0.096 3.325 1.515 1.00 . A A . 1 TYR CA 1 1 9 603 1 1 1 TYR CB C -1.141 4.091 1.040 1.00 . A A . 1 TYR CB 1 1 9 604 1 1 1 TYR CD1 C -2.661 2.265 0.180 1.00 . A A . 1 TYR CD1 1 1 9 605 1 1 1 TYR CD2 C -1.845 3.879 -1.372 1.00 . A A . 1 TYR CD2 1 1 9 606 1 1 1 TYR CE1 C -3.349 1.629 -0.837 1.00 . A A . 1 TYR CE1 1 1 9 607 1 1 1 TYR CE2 C -2.528 3.251 -2.394 1.00 . A A . 1 TYR CE2 1 1 9 608 1 1 1 TYR CG C -1.899 3.398 -0.070 1.00 . A A . 1 TYR CG 1 1 9 609 1 1 1 TYR CZ C -3.280 2.126 -2.122 1.00 . A A . 1 TYR CZ 1 1 9 610 1 1 1 TYR H1 H -0.317 3.979 3.421 1.00 . A A . 1 TYR H1 1 1 9 611 1 1 1 TYR H2 H 0.964 4.812 2.640 1.00 . A A . 1 TYR H2 1 1 9 612 1 1 1 TYR H3 H 1.211 3.225 3.241 1.00 . A A . 1 TYR H3 1 1 9 613 1 1 1 TYR HA H -0.159 2.285 1.654 1.00 . A A . 1 TYR HA 1 1 9 614 1 1 1 TYR HB2 H -1.816 4.223 1.870 1.00 . A A . 1 TYR HB2 1 1 9 615 1 1 1 TYR HB3 H -0.833 5.058 0.674 1.00 . A A . 1 TYR HB3 1 1 9 616 1 1 1 TYR HD1 H -2.712 1.878 1.187 1.00 . A A . 1 TYR HD1 1 1 9 617 1 1 1 TYR HD2 H -1.255 4.758 -1.583 1.00 . A A . 1 TYR HD2 1 1 9 618 1 1 1 TYR HE1 H -3.936 0.749 -0.623 1.00 . A A . 1 TYR HE1 1 1 9 619 1 1 1 TYR HE2 H -2.471 3.640 -3.399 1.00 . A A . 1 TYR HE2 1 1 9 620 1 1 1 TYR HH H -4.811 1.189 -2.810 1.00 . A A . 1 TYR HH 1 1 9 621 1 1 1 TYR N N 0.527 3.886 2.823 1.00 . A A . 1 TYR N 1 1 9 622 1 1 1 TYR O O 2.275 3.982 0.743 1.00 . A A . 1 TYR O 1 1 9 623 1 1 1 TYR OH O -3.963 1.498 -3.137 1.00 . A A . 1 TYR OH 1 1 9 624 1 1 2 GLY C C 1.618 1.931 -2.873 1.00 . A A . 2 GLY C 1 1 9 625 1 1 2 GLY CA C 1.913 2.945 -1.784 1.00 . A A . 2 GLY CA 1 1 9 626 1 1 2 GLY H H 0.078 2.484 -0.865 1.00 . A A . 2 GLY H 1 1 9 627 1 1 2 GLY HA2 H 1.901 3.932 -2.218 1.00 . A A . 2 GLY HA2 1 1 9 628 1 1 2 GLY HA3 H 2.891 2.748 -1.377 1.00 . A A . 2 GLY HA3 1 1 9 629 1 1 2 GLY N N 0.942 2.903 -0.713 1.00 . A A . 2 GLY N 1 1 9 630 1 1 2 GLY O O 2.006 2.118 -4.025 1.00 . A A . 2 GLY O 1 1 9 631 1 1 3 GLY C C 1.003 -1.563 -3.029 1.00 . A A . 3 GLY C 1 1 9 632 1 1 3 GLY CA C 0.588 -0.173 -3.472 1.00 . A A . 3 GLY CA 1 1 9 633 1 1 3 GLY H H 0.642 0.761 -1.574 1.00 . A A . 3 GLY H 1 1 9 634 1 1 3 GLY HA2 H -0.481 -0.165 -3.625 1.00 . A A . 3 GLY HA2 1 1 9 635 1 1 3 GLY HA3 H 1.074 0.055 -4.409 1.00 . A A . 3 GLY HA3 1 1 9 636 1 1 3 GLY N N 0.927 0.856 -2.507 1.00 . A A . 3 GLY N 1 1 9 637 1 1 3 GLY O O 0.798 -2.536 -3.756 1.00 . A A . 3 GLY O 1 1 9 638 1 1 4 PHE C C 0.815 -3.782 -0.869 1.00 . A A . 4 PHE C 1 1 9 639 1 1 4 PHE CA C 2.015 -2.957 -1.313 1.00 . A A . 4 PHE CA 1 1 9 640 1 1 4 PHE CB C 2.985 -2.780 -0.141 1.00 . A A . 4 PHE CB 1 1 9 641 1 1 4 PHE CD1 C 1.727 -1.759 1.777 1.00 . A A . 4 PHE CD1 1 1 9 642 1 1 4 PHE CD2 C 3.289 -0.398 0.594 1.00 . A A . 4 PHE CD2 1 1 9 643 1 1 4 PHE CE1 C 1.429 -0.697 2.609 1.00 . A A . 4 PHE CE1 1 1 9 644 1 1 4 PHE CE2 C 2.994 0.667 1.424 1.00 . A A . 4 PHE CE2 1 1 9 645 1 1 4 PHE CG C 2.660 -1.622 0.760 1.00 . A A . 4 PHE CG 1 1 9 646 1 1 4 PHE CZ C 2.064 0.517 2.433 1.00 . A A . 4 PHE CZ 1 1 9 647 1 1 4 PHE H H 1.717 -0.859 -1.297 1.00 . A A . 4 PHE H 1 1 9 648 1 1 4 PHE HA H 2.521 -3.483 -2.110 1.00 . A A . 4 PHE HA 1 1 9 649 1 1 4 PHE HB2 H 2.971 -3.675 0.459 1.00 . A A . 4 PHE HB2 1 1 9 650 1 1 4 PHE HB3 H 3.982 -2.630 -0.530 1.00 . A A . 4 PHE HB3 1 1 9 651 1 1 4 PHE HD1 H 1.231 -2.708 1.917 1.00 . A A . 4 PHE HD1 1 1 9 652 1 1 4 PHE HD2 H 4.017 -0.280 -0.196 1.00 . A A . 4 PHE HD2 1 1 9 653 1 1 4 PHE HE1 H 0.701 -0.817 3.398 1.00 . A A . 4 PHE HE1 1 1 9 654 1 1 4 PHE HE2 H 3.493 1.615 1.284 1.00 . A A . 4 PHE HE2 1 1 9 655 1 1 4 PHE HZ H 1.831 1.348 3.083 1.00 . A A . 4 PHE HZ 1 1 9 656 1 1 4 PHE N N 1.583 -1.666 -1.837 1.00 . A A . 4 PHE N 1 1 9 657 1 1 4 PHE O O 0.798 -5.005 -1.011 1.00 . A A . 4 PHE O 1 1 9 658 1 1 5 MET C C -2.239 -4.254 -1.037 1.00 . A A . 5 MET C 1 1 9 659 1 1 5 MET CA C -1.400 -3.762 0.137 1.00 . A A . 5 MET CA 1 1 9 660 1 1 5 MET CB C -2.225 -2.806 1.002 1.00 . A A . 5 MET CB 1 1 9 661 1 1 5 MET CE C -2.786 -0.028 2.863 1.00 . A A . 5 MET CE 1 1 9 662 1 1 5 MET CG C -1.558 -2.452 2.321 1.00 . A A . 5 MET CG 1 1 9 663 1 1 5 MET H H -0.109 -2.127 -0.248 1.00 . A A . 5 MET H 1 1 9 664 1 1 5 MET HA H -1.104 -4.611 0.735 1.00 . A A . 5 MET HA 1 1 9 665 1 1 5 MET HB2 H -2.392 -1.893 0.451 1.00 . A A . 5 MET HB2 1 1 9 666 1 1 5 MET HB3 H -3.177 -3.266 1.218 1.00 . A A . 5 MET HB3 1 1 9 667 1 1 5 MET HE1 H -2.932 -0.056 1.794 1.00 . A A . 5 MET HE1 1 1 9 668 1 1 5 MET HE2 H -1.864 0.489 3.088 1.00 . A A . 5 MET HE2 1 1 9 669 1 1 5 MET HE3 H -3.611 0.490 3.326 1.00 . A A . 5 MET HE3 1 1 9 670 1 1 5 MET HG2 H -1.154 -3.352 2.759 1.00 . A A . 5 MET HG2 1 1 9 671 1 1 5 MET HG3 H -0.755 -1.756 2.127 1.00 . A A . 5 MET HG3 1 1 9 672 1 1 5 MET N N -0.187 -3.100 -0.331 1.00 . A A . 5 MET N 1 1 9 673 1 1 5 MET O O -2.456 -5.480 -1.134 1.00 . A A . 5 MET O 1 1 9 674 1 1 5 MET OXT O -2.673 -3.409 -1.847 1.00 . A A . 5 MET OXT 1 1 9 675 1 1 5 MET SD S -2.700 -1.701 3.497 1.00 . A A . 5 MET SD 1 1 10 676 1 1 1 TYR C C 1.542 3.630 -0.064 1.00 . A A . 1 TYR C 1 1 10 677 1 1 1 TYR CA C 0.623 3.662 1.153 1.00 . A A . 1 TYR CA 1 1 10 678 1 1 1 TYR CB C -0.559 4.598 0.894 1.00 . A A . 1 TYR CB 1 1 10 679 1 1 1 TYR CD1 C -2.469 2.997 0.480 1.00 . A A . 1 TYR CD1 1 1 10 680 1 1 1 TYR CD2 C -1.791 4.430 -1.301 1.00 . A A . 1 TYR CD2 1 1 10 681 1 1 1 TYR CE1 C -3.444 2.446 -0.331 1.00 . A A . 1 TYR CE1 1 1 10 682 1 1 1 TYR CE2 C -2.762 3.885 -2.116 1.00 . A A . 1 TYR CE2 1 1 10 683 1 1 1 TYR CG C -1.628 3.997 0.009 1.00 . A A . 1 TYR CG 1 1 10 684 1 1 1 TYR CZ C -3.586 2.893 -1.627 1.00 . A A . 1 TYR CZ 1 1 10 685 1 1 1 TYR H1 H 1.593 5.137 2.209 1.00 . A A . 1 TYR H1 1 1 10 686 1 1 1 TYR H2 H 2.202 3.554 2.468 1.00 . A A . 1 TYR H2 1 1 10 687 1 1 1 TYR H3 H 0.713 4.029 3.176 1.00 . A A . 1 TYR H3 1 1 10 688 1 1 1 TYR HA H 0.254 2.665 1.344 1.00 . A A . 1 TYR HA 1 1 10 689 1 1 1 TYR HB2 H -1.017 4.859 1.836 1.00 . A A . 1 TYR HB2 1 1 10 690 1 1 1 TYR HB3 H -0.197 5.494 0.413 1.00 . A A . 1 TYR HB3 1 1 10 691 1 1 1 TYR HD1 H -2.355 2.649 1.495 1.00 . A A . 1 TYR HD1 1 1 10 692 1 1 1 TYR HD2 H -1.144 5.206 -1.681 1.00 . A A . 1 TYR HD2 1 1 10 693 1 1 1 TYR HE1 H -4.089 1.669 0.053 1.00 . A A . 1 TYR HE1 1 1 10 694 1 1 1 TYR HE2 H -2.871 4.235 -3.132 1.00 . A A . 1 TYR HE2 1 1 10 695 1 1 1 TYR HH H -4.213 1.553 -2.856 1.00 . A A . 1 TYR HH 1 1 10 696 1 1 1 TYR N N 1.348 4.139 2.360 1.00 . A A . 1 TYR N 1 1 10 697 1 1 1 TYR O O 2.703 4.034 0.009 1.00 . A A . 1 TYR O 1 1 10 698 1 1 1 TYR OH O -4.555 2.347 -2.438 1.00 . A A . 1 TYR OH 1 1 10 699 1 1 2 GLY C C 1.404 1.884 -3.264 1.00 . A A . 2 GLY C 1 1 10 700 1 1 2 GLY CA C 1.787 3.074 -2.403 1.00 . A A . 2 GLY CA 1 1 10 701 1 1 2 GLY H H 0.084 2.846 -1.181 1.00 . A A . 2 GLY H 1 1 10 702 1 1 2 GLY HA2 H 1.627 3.978 -2.970 1.00 . A A . 2 GLY HA2 1 1 10 703 1 1 2 GLY HA3 H 2.833 3.000 -2.148 1.00 . A A . 2 GLY HA3 1 1 10 704 1 1 2 GLY N N 1.011 3.149 -1.184 1.00 . A A . 2 GLY N 1 1 10 705 1 1 2 GLY O O 1.633 1.888 -4.474 1.00 . A A . 2 GLY O 1 1 10 706 1 1 3 GLY C C 1.194 -1.550 -2.972 1.00 . A A . 3 GLY C 1 1 10 707 1 1 3 GLY CA C 0.411 -0.317 -3.377 1.00 . A A . 3 GLY CA 1 1 10 708 1 1 3 GLY H H 0.659 0.920 -1.676 1.00 . A A . 3 GLY H 1 1 10 709 1 1 3 GLY HA2 H -0.638 -0.496 -3.194 1.00 . A A . 3 GLY HA2 1 1 10 710 1 1 3 GLY HA3 H 0.558 -0.141 -4.432 1.00 . A A . 3 GLY HA3 1 1 10 711 1 1 3 GLY N N 0.819 0.867 -2.641 1.00 . A A . 3 GLY N 1 1 10 712 1 1 3 GLY O O 1.560 -2.367 -3.817 1.00 . A A . 3 GLY O 1 1 10 713 1 1 4 PHE C C 1.244 -3.967 -0.795 1.00 . A A . 4 PHE C 1 1 10 714 1 1 4 PHE CA C 2.191 -2.829 -1.158 1.00 . A A . 4 PHE CA 1 1 10 715 1 1 4 PHE CB C 3.013 -2.425 0.067 1.00 . A A . 4 PHE CB 1 1 10 716 1 1 4 PHE CD1 C 1.388 -2.143 1.959 1.00 . A A . 4 PHE CD1 1 1 10 717 1 1 4 PHE CD2 C 2.423 -0.195 1.053 1.00 . A A . 4 PHE CD2 1 1 10 718 1 1 4 PHE CE1 C 0.694 -1.358 2.860 1.00 . A A . 4 PHE CE1 1 1 10 719 1 1 4 PHE CE2 C 1.732 0.594 1.952 1.00 . A A . 4 PHE CE2 1 1 10 720 1 1 4 PHE CG C 2.259 -1.571 1.046 1.00 . A A . 4 PHE CG 1 1 10 721 1 1 4 PHE CZ C 0.866 0.011 2.857 1.00 . A A . 4 PHE CZ 1 1 10 722 1 1 4 PHE H H 1.128 -1.000 -1.052 1.00 . A A . 4 PHE H 1 1 10 723 1 1 4 PHE HA H 2.860 -3.168 -1.935 1.00 . A A . 4 PHE HA 1 1 10 724 1 1 4 PHE HB2 H 3.333 -3.316 0.584 1.00 . A A . 4 PHE HB2 1 1 10 725 1 1 4 PHE HB3 H 3.881 -1.873 -0.258 1.00 . A A . 4 PHE HB3 1 1 10 726 1 1 4 PHE HD1 H 1.252 -3.214 1.961 1.00 . A A . 4 PHE HD1 1 1 10 727 1 1 4 PHE HD2 H 3.100 0.261 0.345 1.00 . A A . 4 PHE HD2 1 1 10 728 1 1 4 PHE HE1 H 0.018 -1.817 3.567 1.00 . A A . 4 PHE HE1 1 1 10 729 1 1 4 PHE HE2 H 1.871 1.665 1.947 1.00 . A A . 4 PHE HE2 1 1 10 730 1 1 4 PHE HZ H 0.325 0.627 3.560 1.00 . A A . 4 PHE HZ 1 1 10 731 1 1 4 PHE N N 1.449 -1.685 -1.676 1.00 . A A . 4 PHE N 1 1 10 732 1 1 4 PHE O O 1.541 -5.137 -1.037 1.00 . A A . 4 PHE O 1 1 10 733 1 1 5 MET C C -1.934 -4.795 -0.908 1.00 . A A . 5 MET C 1 1 10 734 1 1 5 MET CA C -0.890 -4.602 0.186 1.00 . A A . 5 MET CA 1 1 10 735 1 1 5 MET CB C -1.568 -4.176 1.490 1.00 . A A . 5 MET CB 1 1 10 736 1 1 5 MET CE C -2.721 -0.345 2.375 1.00 . A A . 5 MET CE 1 1 10 737 1 1 5 MET CG C -2.390 -2.904 1.362 1.00 . A A . 5 MET CG 1 1 10 738 1 1 5 MET H H -0.071 -2.664 -0.047 1.00 . A A . 5 MET H 1 1 10 739 1 1 5 MET HA H -0.378 -5.539 0.348 1.00 . A A . 5 MET HA 1 1 10 740 1 1 5 MET HB2 H -2.223 -4.970 1.817 1.00 . A A . 5 MET HB2 1 1 10 741 1 1 5 MET HB3 H -0.810 -4.013 2.241 1.00 . A A . 5 MET HB3 1 1 10 742 1 1 5 MET HE1 H -1.802 0.178 2.594 1.00 . A A . 5 MET HE1 1 1 10 743 1 1 5 MET HE2 H -3.541 0.138 2.886 1.00 . A A . 5 MET HE2 1 1 10 744 1 1 5 MET HE3 H -2.900 -0.329 1.311 1.00 . A A . 5 MET HE3 1 1 10 745 1 1 5 MET HG2 H -1.898 -2.241 0.665 1.00 . A A . 5 MET HG2 1 1 10 746 1 1 5 MET HG3 H -3.368 -3.159 0.982 1.00 . A A . 5 MET HG3 1 1 10 747 1 1 5 MET N N 0.105 -3.613 -0.212 1.00 . A A . 5 MET N 1 1 10 748 1 1 5 MET O O -3.031 -5.304 -0.593 1.00 . A A . 5 MET O 1 1 10 749 1 1 5 MET OXT O -1.648 -4.435 -2.068 1.00 . A A . 5 MET OXT 1 1 10 750 1 1 5 MET SD S -2.588 -2.042 2.933 1.00 . A A . 5 MET SD 1 1 11 751 1 1 1 TYR C C 1.581 3.611 -0.101 1.00 . A A . 1 TYR C 1 1 11 752 1 1 1 TYR CA C 0.712 3.600 1.153 1.00 . A A . 1 TYR CA 1 1 11 753 1 1 1 TYR CB C -0.497 4.517 0.959 1.00 . A A . 1 TYR CB 1 1 11 754 1 1 1 TYR CD1 C -2.424 2.913 0.646 1.00 . A A . 1 TYR CD1 1 1 11 755 1 1 1 TYR CD2 C -1.814 4.315 -1.183 1.00 . A A . 1 TYR CD2 1 1 11 756 1 1 1 TYR CE1 C -3.429 2.350 -0.118 1.00 . A A . 1 TYR CE1 1 1 11 757 1 1 1 TYR CE2 C -2.816 3.758 -1.952 1.00 . A A . 1 TYR CE2 1 1 11 758 1 1 1 TYR CG C -1.601 3.905 0.126 1.00 . A A . 1 TYR CG 1 1 11 759 1 1 1 TYR CZ C -3.621 2.774 -1.415 1.00 . A A . 1 TYR CZ 1 1 11 760 1 1 1 TYR H1 H 1.505 5.105 2.311 1.00 . A A . 1 TYR H1 1 1 11 761 1 1 1 TYR H2 H 2.432 3.660 2.280 1.00 . A A . 1 TYR H2 1 1 11 762 1 1 1 TYR H3 H 0.977 3.730 3.189 1.00 . A A . 1 TYR H3 1 1 11 763 1 1 1 TYR HA H 0.369 2.593 1.336 1.00 . A A . 1 TYR HA 1 1 11 764 1 1 1 TYR HB2 H -0.911 4.766 1.924 1.00 . A A . 1 TYR HB2 1 1 11 765 1 1 1 TYR HB3 H -0.175 5.422 0.466 1.00 . A A . 1 TYR HB3 1 1 11 766 1 1 1 TYR HD1 H -2.270 2.582 1.662 1.00 . A A . 1 TYR HD1 1 1 11 767 1 1 1 TYR HD2 H -1.181 5.085 -1.602 1.00 . A A . 1 TYR HD2 1 1 11 768 1 1 1 TYR HE1 H -4.059 1.580 0.304 1.00 . A A . 1 TYR HE1 1 1 11 769 1 1 1 TYR HE2 H -2.963 4.090 -2.969 1.00 . A A . 1 TYR HE2 1 1 11 770 1 1 1 TYR HH H -5.398 2.075 -1.634 1.00 . A A . 1 TYR HH 1 1 11 771 1 1 1 TYR N N 1.475 4.066 2.340 1.00 . A A . 1 TYR N 1 1 11 772 1 1 1 TYR O O 2.731 4.047 -0.069 1.00 . A A . 1 TYR O 1 1 11 773 1 1 1 TYR OH O -4.620 2.216 -2.179 1.00 . A A . 1 TYR OH 1 1 11 774 1 1 2 GLY C C 1.356 1.908 -3.319 1.00 . A A . 2 GLY C 1 1 11 775 1 1 2 GLY CA C 1.745 3.092 -2.456 1.00 . A A . 2 GLY CA 1 1 11 776 1 1 2 GLY H H 0.101 2.800 -1.169 1.00 . A A . 2 GLY H 1 1 11 777 1 1 2 GLY HA2 H 1.540 4.001 -3.000 1.00 . A A . 2 GLY HA2 1 1 11 778 1 1 2 GLY HA3 H 2.802 3.040 -2.245 1.00 . A A . 2 GLY HA3 1 1 11 779 1 1 2 GLY N N 1.018 3.130 -1.204 1.00 . A A . 2 GLY N 1 1 11 780 1 1 2 GLY O O 1.488 1.953 -4.542 1.00 . A A . 2 GLY O 1 1 11 781 1 1 3 GLY C C 1.222 -1.579 -2.989 1.00 . A A . 3 GLY C 1 1 11 782 1 1 3 GLY CA C 0.466 -0.338 -3.418 1.00 . A A . 3 GLY CA 1 1 11 783 1 1 3 GLY H H 0.785 0.867 -1.707 1.00 . A A . 3 GLY H 1 1 11 784 1 1 3 GLY HA2 H -0.590 -0.503 -3.257 1.00 . A A . 3 GLY HA2 1 1 11 785 1 1 3 GLY HA3 H 0.638 -0.172 -4.471 1.00 . A A . 3 GLY HA3 1 1 11 786 1 1 3 GLY N N 0.872 0.846 -2.683 1.00 . A A . 3 GLY N 1 1 11 787 1 1 3 GLY O O 1.556 -2.428 -3.816 1.00 . A A . 3 GLY O 1 1 11 788 1 1 4 PHE C C 1.233 -3.935 -0.742 1.00 . A A . 4 PHE C 1 1 11 789 1 1 4 PHE CA C 2.206 -2.838 -1.155 1.00 . A A . 4 PHE CA 1 1 11 790 1 1 4 PHE CB C 3.059 -2.424 0.046 1.00 . A A . 4 PHE CB 1 1 11 791 1 1 4 PHE CD1 C 1.421 -2.036 1.909 1.00 . A A . 4 PHE CD1 1 1 11 792 1 1 4 PHE CD2 C 2.602 -0.161 1.028 1.00 . A A . 4 PHE CD2 1 1 11 793 1 1 4 PHE CE1 C 0.766 -1.210 2.801 1.00 . A A . 4 PHE CE1 1 1 11 794 1 1 4 PHE CE2 C 1.949 0.671 1.917 1.00 . A A . 4 PHE CE2 1 1 11 795 1 1 4 PHE CG C 2.346 -1.522 1.014 1.00 . A A . 4 PHE CG 1 1 11 796 1 1 4 PHE CZ C 1.029 0.146 2.804 1.00 . A A . 4 PHE CZ 1 1 11 797 1 1 4 PHE H H 1.192 -0.980 -1.083 1.00 . A A . 4 PHE H 1 1 11 798 1 1 4 PHE HA H 2.853 -3.219 -1.931 1.00 . A A . 4 PHE HA 1 1 11 799 1 1 4 PHE HB2 H 3.362 -3.309 0.583 1.00 . A A . 4 PHE HB2 1 1 11 800 1 1 4 PHE HB3 H 3.937 -1.905 -0.308 1.00 . A A . 4 PHE HB3 1 1 11 801 1 1 4 PHE HD1 H 1.215 -3.096 1.907 1.00 . A A . 4 PHE HD1 1 1 11 802 1 1 4 PHE HD2 H 3.320 0.251 0.334 1.00 . A A . 4 PHE HD2 1 1 11 803 1 1 4 PHE HE1 H 0.048 -1.623 3.493 1.00 . A A . 4 PHE HE1 1 1 11 804 1 1 4 PHE HE2 H 2.157 1.730 1.918 1.00 . A A . 4 PHE HE2 1 1 11 805 1 1 4 PHE HZ H 0.517 0.795 3.500 1.00 . A A . 4 PHE HZ 1 1 11 806 1 1 4 PHE N N 1.489 -1.688 -1.692 1.00 . A A . 4 PHE N 1 1 11 807 1 1 4 PHE O O 1.494 -5.122 -0.942 1.00 . A A . 4 PHE O 1 1 11 808 1 1 5 MET C C -1.798 -4.900 -0.883 1.00 . A A . 5 MET C 1 1 11 809 1 1 5 MET CA C -0.910 -4.471 0.280 1.00 . A A . 5 MET CA 1 1 11 810 1 1 5 MET CB C -1.763 -3.849 1.386 1.00 . A A . 5 MET CB 1 1 11 811 1 1 5 MET CE C -2.944 -0.403 2.697 1.00 . A A . 5 MET CE 1 1 11 812 1 1 5 MET CG C -2.389 -2.519 0.996 1.00 . A A . 5 MET CG 1 1 11 813 1 1 5 MET H H -0.038 -2.567 -0.035 1.00 . A A . 5 MET H 1 1 11 814 1 1 5 MET HA H -0.407 -5.341 0.672 1.00 . A A . 5 MET HA 1 1 11 815 1 1 5 MET HB2 H -2.557 -4.535 1.642 1.00 . A A . 5 MET HB2 1 1 11 816 1 1 5 MET HB3 H -1.144 -3.690 2.256 1.00 . A A . 5 MET HB3 1 1 11 817 1 1 5 MET HE1 H -3.437 -0.073 3.600 1.00 . A A . 5 MET HE1 1 1 11 818 1 1 5 MET HE2 H -3.088 0.333 1.919 1.00 . A A . 5 MET HE2 1 1 11 819 1 1 5 MET HE3 H -1.888 -0.523 2.887 1.00 . A A . 5 MET HE3 1 1 11 820 1 1 5 MET HG2 H -1.611 -1.773 0.944 1.00 . A A . 5 MET HG2 1 1 11 821 1 1 5 MET HG3 H -2.851 -2.625 0.026 1.00 . A A . 5 MET HG3 1 1 11 822 1 1 5 MET N N 0.109 -3.528 -0.165 1.00 . A A . 5 MET N 1 1 11 823 1 1 5 MET O O -1.771 -4.220 -1.930 1.00 . A A . 5 MET O 1 1 11 824 1 1 5 MET OXT O -2.514 -5.914 -0.738 1.00 . A A . 5 MET OXT 1 1 11 825 1 1 5 MET SD S -3.638 -1.968 2.174 1.00 . A A . 5 MET SD 1 1 12 826 1 1 1 TYR C C 1.599 3.736 -0.065 1.00 . A A . 1 TYR C 1 1 12 827 1 1 1 TYR CA C 0.715 3.661 1.177 1.00 . A A . 1 TYR CA 1 1 12 828 1 1 1 TYR CB C -0.582 4.440 0.946 1.00 . A A . 1 TYR CB 1 1 12 829 1 1 1 TYR CD1 C -2.343 2.654 0.637 1.00 . A A . 1 TYR CD1 1 1 12 830 1 1 1 TYR CD2 C -1.789 4.034 -1.228 1.00 . A A . 1 TYR CD2 1 1 12 831 1 1 1 TYR CE1 C -3.262 1.972 -0.136 1.00 . A A . 1 TYR CE1 1 1 12 832 1 1 1 TYR CE2 C -2.704 3.355 -2.008 1.00 . A A . 1 TYR CE2 1 1 12 833 1 1 1 TYR CG C -1.592 3.697 0.105 1.00 . A A . 1 TYR CG 1 1 12 834 1 1 1 TYR CZ C -3.438 2.326 -1.458 1.00 . A A . 1 TYR CZ 1 1 12 835 1 1 1 TYR H1 H 0.779 4.102 3.185 1.00 . A A . 1 TYR H1 1 1 12 836 1 1 1 TYR H2 H 1.577 5.238 2.177 1.00 . A A . 1 TYR H2 1 1 12 837 1 1 1 TYR H3 H 2.297 3.712 2.490 1.00 . A A . 1 TYR H3 1 1 12 838 1 1 1 TYR HA H 0.478 2.628 1.379 1.00 . A A . 1 TYR HA 1 1 12 839 1 1 1 TYR HB2 H -1.039 4.658 1.898 1.00 . A A . 1 TYR HB2 1 1 12 840 1 1 1 TYR HB3 H -0.349 5.365 0.441 1.00 . A A . 1 TYR HB3 1 1 12 841 1 1 1 TYR HD1 H -2.204 2.381 1.672 1.00 . A A . 1 TYR HD1 1 1 12 842 1 1 1 TYR HD2 H -1.212 4.841 -1.655 1.00 . A A . 1 TYR HD2 1 1 12 843 1 1 1 TYR HE1 H -3.837 1.166 0.293 1.00 . A A . 1 TYR HE1 1 1 12 844 1 1 1 TYR HE2 H -2.840 3.631 -3.043 1.00 . A A . 1 TYR HE2 1 1 12 845 1 1 1 TYR HH H -3.940 0.846 -2.576 1.00 . A A . 1 TYR HH 1 1 12 846 1 1 1 TYR N N 1.405 4.230 2.365 1.00 . A A . 1 TYR N 1 1 12 847 1 1 1 TYR O O 2.694 4.299 -0.031 1.00 . A A . 1 TYR O 1 1 12 848 1 1 1 TYR OH O -4.348 1.644 -2.231 1.00 . A A . 1 TYR OH 1 1 12 849 1 1 2 GLY C C 1.476 2.010 -3.305 1.00 . A A . 2 GLY C 1 1 12 850 1 1 2 GLY CA C 1.852 3.170 -2.403 1.00 . A A . 2 GLY CA 1 1 12 851 1 1 2 GLY H H 0.236 2.736 -1.124 1.00 . A A . 2 GLY H 1 1 12 852 1 1 2 GLY HA2 H 1.649 4.094 -2.922 1.00 . A A . 2 GLY HA2 1 1 12 853 1 1 2 GLY HA3 H 2.907 3.113 -2.183 1.00 . A A . 2 GLY HA3 1 1 12 854 1 1 2 GLY N N 1.111 3.164 -1.160 1.00 . A A . 2 GLY N 1 1 12 855 1 1 2 GLY O O 1.599 2.100 -4.527 1.00 . A A . 2 GLY O 1 1 12 856 1 1 3 GLY C C 1.323 -1.510 -3.031 1.00 . A A . 3 GLY C 1 1 12 857 1 1 3 GLY CA C 0.616 -0.244 -3.474 1.00 . A A . 3 GLY CA 1 1 12 858 1 1 3 GLY H H 0.932 0.908 -1.725 1.00 . A A . 3 GLY H 1 1 12 859 1 1 3 GLY HA2 H -0.448 -0.389 -3.367 1.00 . A A . 3 GLY HA2 1 1 12 860 1 1 3 GLY HA3 H 0.842 -0.065 -4.515 1.00 . A A . 3 GLY HA3 1 1 12 861 1 1 3 GLY N N 1.011 0.920 -2.703 1.00 . A A . 3 GLY N 1 1 12 862 1 1 3 GLY O O 1.675 -2.352 -3.857 1.00 . A A . 3 GLY O 1 1 12 863 1 1 4 PHE C C 1.173 -3.904 -0.829 1.00 . A A . 4 PHE C 1 1 12 864 1 1 4 PHE CA C 2.192 -2.827 -1.184 1.00 . A A . 4 PHE CA 1 1 12 865 1 1 4 PHE CB C 3.012 -2.460 0.053 1.00 . A A . 4 PHE CB 1 1 12 866 1 1 4 PHE CD1 C 1.334 -2.018 1.870 1.00 . A A . 4 PHE CD1 1 1 12 867 1 1 4 PHE CD2 C 2.605 -0.182 1.029 1.00 . A A . 4 PHE CD2 1 1 12 868 1 1 4 PHE CE1 C 0.682 -1.169 2.744 1.00 . A A . 4 PHE CE1 1 1 12 869 1 1 4 PHE CE2 C 1.955 0.671 1.900 1.00 . A A . 4 PHE CE2 1 1 12 870 1 1 4 PHE CG C 2.302 -1.535 1.003 1.00 . A A . 4 PHE CG 1 1 12 871 1 1 4 PHE CZ C 0.993 0.177 2.759 1.00 . A A . 4 PHE CZ 1 1 12 872 1 1 4 PHE H H 1.223 -0.948 -1.116 1.00 . A A . 4 PHE H 1 1 12 873 1 1 4 PHE HA H 2.856 -3.213 -1.944 1.00 . A A . 4 PHE HA 1 1 12 874 1 1 4 PHE HB2 H 3.255 -3.362 0.592 1.00 . A A . 4 PHE HB2 1 1 12 875 1 1 4 PHE HB3 H 3.925 -1.978 -0.261 1.00 . A A . 4 PHE HB3 1 1 12 876 1 1 4 PHE HD1 H 1.091 -3.070 1.860 1.00 . A A . 4 PHE HD1 1 1 12 877 1 1 4 PHE HD2 H 3.358 0.206 0.358 1.00 . A A . 4 PHE HD2 1 1 12 878 1 1 4 PHE HE1 H -0.070 -1.558 3.414 1.00 . A A . 4 PHE HE1 1 1 12 879 1 1 4 PHE HE2 H 2.200 1.723 1.911 1.00 . A A . 4 PHE HE2 1 1 12 880 1 1 4 PHE HZ H 0.484 0.843 3.440 1.00 . A A . 4 PHE HZ 1 1 12 881 1 1 4 PHE N N 1.528 -1.649 -1.727 1.00 . A A . 4 PHE N 1 1 12 882 1 1 4 PHE O O 1.408 -5.093 -1.045 1.00 . A A . 4 PHE O 1 1 12 883 1 1 5 MET C C -2.104 -4.467 -0.970 1.00 . A A . 5 MET C 1 1 12 884 1 1 5 MET CA C -1.023 -4.397 0.103 1.00 . A A . 5 MET CA 1 1 12 885 1 1 5 MET CB C -1.637 -3.966 1.437 1.00 . A A . 5 MET CB 1 1 12 886 1 1 5 MET CE C -3.555 -0.465 2.620 1.00 . A A . 5 MET CE 1 1 12 887 1 1 5 MET CG C -2.282 -2.590 1.388 1.00 . A A . 5 MET CG 1 1 12 888 1 1 5 MET H H -0.084 -2.513 -0.143 1.00 . A A . 5 MET H 1 1 12 889 1 1 5 MET HA H -0.585 -5.378 0.220 1.00 . A A . 5 MET HA 1 1 12 890 1 1 5 MET HB2 H -2.392 -4.684 1.722 1.00 . A A . 5 MET HB2 1 1 12 891 1 1 5 MET HB3 H -0.864 -3.950 2.189 1.00 . A A . 5 MET HB3 1 1 12 892 1 1 5 MET HE1 H -4.288 -0.354 1.834 1.00 . A A . 5 MET HE1 1 1 12 893 1 1 5 MET HE2 H -2.644 0.040 2.335 1.00 . A A . 5 MET HE2 1 1 12 894 1 1 5 MET HE3 H -3.938 -0.032 3.533 1.00 . A A . 5 MET HE3 1 1 12 895 1 1 5 MET HG2 H -1.506 -1.849 1.267 1.00 . A A . 5 MET HG2 1 1 12 896 1 1 5 MET HG3 H -2.951 -2.551 0.541 1.00 . A A . 5 MET HG3 1 1 12 897 1 1 5 MET N N 0.040 -3.476 -0.286 1.00 . A A . 5 MET N 1 1 12 898 1 1 5 MET O O -2.376 -3.426 -1.604 1.00 . A A . 5 MET O 1 1 12 899 1 1 5 MET OXT O -2.671 -5.563 -1.168 1.00 . A A . 5 MET OXT 1 1 12 900 1 1 5 MET SD S -3.218 -2.204 2.880 1.00 . A A . 5 MET SD 1 1 13 901 1 1 1 TYR C C 1.637 3.729 -0.095 1.00 . A A . 1 TYR C 1 1 13 902 1 1 1 TYR CA C 0.791 3.786 1.173 1.00 . A A . 1 TYR CA 1 1 13 903 1 1 1 TYR CB C -0.448 4.650 0.936 1.00 . A A . 1 TYR CB 1 1 13 904 1 1 1 TYR CD1 C -2.335 2.981 0.751 1.00 . A A . 1 TYR CD1 1 1 13 905 1 1 1 TYR CD2 C -1.760 4.253 -1.180 1.00 . A A . 1 TYR CD2 1 1 13 906 1 1 1 TYR CE1 C -3.325 2.335 0.036 1.00 . A A . 1 TYR CE1 1 1 13 907 1 1 1 TYR CE2 C -2.749 3.615 -1.902 1.00 . A A . 1 TYR CE2 1 1 13 908 1 1 1 TYR CG C -1.537 3.949 0.156 1.00 . A A . 1 TYR CG 1 1 13 909 1 1 1 TYR CZ C -3.529 2.656 -1.290 1.00 . A A . 1 TYR CZ 1 1 13 910 1 1 1 TYR H1 H 2.495 3.908 2.320 1.00 . A A . 1 TYR H1 1 1 13 911 1 1 1 TYR H2 H 1.033 4.159 3.182 1.00 . A A . 1 TYR H2 1 1 13 912 1 1 1 TYR H3 H 1.642 5.386 2.148 1.00 . A A . 1 TYR H3 1 1 13 913 1 1 1 TYR HA H 0.484 2.786 1.437 1.00 . A A . 1 TYR HA 1 1 13 914 1 1 1 TYR HB2 H -0.861 4.948 1.886 1.00 . A A . 1 TYR HB2 1 1 13 915 1 1 1 TYR HB3 H -0.159 5.528 0.380 1.00 . A A . 1 TYR HB3 1 1 13 916 1 1 1 TYR HD1 H -2.173 2.732 1.790 1.00 . A A . 1 TYR HD1 1 1 13 917 1 1 1 TYR HD2 H -1.147 5.004 -1.657 1.00 . A A . 1 TYR HD2 1 1 13 918 1 1 1 TYR HE1 H -3.936 1.585 0.516 1.00 . A A . 1 TYR HE1 1 1 13 919 1 1 1 TYR HE2 H -2.904 3.866 -2.941 1.00 . A A . 1 TYR HE2 1 1 13 920 1 1 1 TYR HH H -5.345 2.072 -1.528 1.00 . A A . 1 TYR HH 1 1 13 921 1 1 1 TYR N N 1.560 4.362 2.307 1.00 . A A . 1 TYR N 1 1 13 922 1 1 1 TYR O O 2.771 4.210 -0.121 1.00 . A A . 1 TYR O 1 1 13 923 1 1 1 TYR OH O -4.515 2.016 -2.006 1.00 . A A . 1 TYR OH 1 1 13 924 1 1 2 GLY C C 1.306 1.861 -3.237 1.00 . A A . 2 GLY C 1 1 13 925 1 1 2 GLY CA C 1.776 3.038 -2.406 1.00 . A A . 2 GLY CA 1 1 13 926 1 1 2 GLY H H 0.171 2.788 -1.065 1.00 . A A . 2 GLY H 1 1 13 927 1 1 2 GLY HA2 H 1.613 3.945 -2.966 1.00 . A A . 2 GLY HA2 1 1 13 928 1 1 2 GLY HA3 H 2.831 2.930 -2.209 1.00 . A A . 2 GLY HA3 1 1 13 929 1 1 2 GLY N N 1.073 3.145 -1.146 1.00 . A A . 2 GLY N 1 1 13 930 1 1 2 GLY O O 1.367 1.899 -4.466 1.00 . A A . 2 GLY O 1 1 13 931 1 1 3 GLY C C 1.036 -1.638 -2.836 1.00 . A A . 3 GLY C 1 1 13 932 1 1 3 GLY CA C 0.348 -0.359 -3.277 1.00 . A A . 3 GLY CA 1 1 13 933 1 1 3 GLY H H 0.800 0.842 -1.590 1.00 . A A . 3 GLY H 1 1 13 934 1 1 3 GLY HA2 H -0.713 -0.458 -3.103 1.00 . A A . 3 GLY HA2 1 1 13 935 1 1 3 GLY HA3 H 0.516 -0.221 -4.335 1.00 . A A . 3 GLY HA3 1 1 13 936 1 1 3 GLY N N 0.830 0.815 -2.569 1.00 . A A . 3 GLY N 1 1 13 937 1 1 3 GLY O O 1.248 -2.543 -3.642 1.00 . A A . 3 GLY O 1 1 13 938 1 1 4 PHE C C 1.026 -3.987 -0.684 1.00 . A A . 4 PHE C 1 1 13 939 1 1 4 PHE CA C 2.042 -2.901 -1.017 1.00 . A A . 4 PHE CA 1 1 13 940 1 1 4 PHE CB C 2.859 -2.554 0.231 1.00 . A A . 4 PHE CB 1 1 13 941 1 1 4 PHE CD1 C 1.331 -1.883 2.105 1.00 . A A . 4 PHE CD1 1 1 13 942 1 1 4 PHE CD2 C 2.540 -0.175 0.962 1.00 . A A . 4 PHE CD2 1 1 13 943 1 1 4 PHE CE1 C 0.754 -0.930 2.924 1.00 . A A . 4 PHE CE1 1 1 13 944 1 1 4 PHE CE2 C 1.966 0.782 1.778 1.00 . A A . 4 PHE CE2 1 1 13 945 1 1 4 PHE CG C 2.229 -1.516 1.117 1.00 . A A . 4 PHE CG 1 1 13 946 1 1 4 PHE CZ C 1.072 0.404 2.760 1.00 . A A . 4 PHE CZ 1 1 13 947 1 1 4 PHE H H 1.184 -0.967 -0.958 1.00 . A A . 4 PHE H 1 1 13 948 1 1 4 PHE HA H 2.711 -3.277 -1.777 1.00 . A A . 4 PHE HA 1 1 13 949 1 1 4 PHE HB2 H 2.989 -3.447 0.819 1.00 . A A . 4 PHE HB2 1 1 13 950 1 1 4 PHE HB3 H 3.825 -2.186 -0.075 1.00 . A A . 4 PHE HB3 1 1 13 951 1 1 4 PHE HD1 H 1.082 -2.925 2.235 1.00 . A A . 4 PHE HD1 1 1 13 952 1 1 4 PHE HD2 H 3.238 0.122 0.195 1.00 . A A . 4 PHE HD2 1 1 13 953 1 1 4 PHE HE1 H 0.055 -1.229 3.692 1.00 . A A . 4 PHE HE1 1 1 13 954 1 1 4 PHE HE2 H 2.217 1.824 1.647 1.00 . A A . 4 PHE HE2 1 1 13 955 1 1 4 PHE HZ H 0.622 1.149 3.399 1.00 . A A . 4 PHE HZ 1 1 13 956 1 1 4 PHE N N 1.381 -1.717 -1.554 1.00 . A A . 4 PHE N 1 1 13 957 1 1 4 PHE O O 1.300 -5.178 -0.836 1.00 . A A . 4 PHE O 1 1 13 958 1 1 5 MET C C -1.742 -5.212 -1.117 1.00 . A A . 5 MET C 1 1 13 959 1 1 5 MET CA C -1.211 -4.501 0.123 1.00 . A A . 5 MET CA 1 1 13 960 1 1 5 MET CB C -2.358 -3.767 0.824 1.00 . A A . 5 MET CB 1 1 13 961 1 1 5 MET CE C -3.461 -0.486 2.062 1.00 . A A . 5 MET CE 1 1 13 962 1 1 5 MET CG C -1.896 -2.765 1.869 1.00 . A A . 5 MET CG 1 1 13 963 1 1 5 MET H H -0.301 -2.605 -0.133 1.00 . A A . 5 MET H 1 1 13 964 1 1 5 MET HA H -0.798 -5.235 0.798 1.00 . A A . 5 MET HA 1 1 13 965 1 1 5 MET HB2 H -2.938 -3.239 0.082 1.00 . A A . 5 MET HB2 1 1 13 966 1 1 5 MET HB3 H -2.990 -4.495 1.310 1.00 . A A . 5 MET HB3 1 1 13 967 1 1 5 MET HE1 H -3.347 0.552 2.339 1.00 . A A . 5 MET HE1 1 1 13 968 1 1 5 MET HE2 H -3.655 -1.075 2.946 1.00 . A A . 5 MET HE2 1 1 13 969 1 1 5 MET HE3 H -4.288 -0.587 1.375 1.00 . A A . 5 MET HE3 1 1 13 970 1 1 5 MET HG2 H -2.533 -2.851 2.737 1.00 . A A . 5 MET HG2 1 1 13 971 1 1 5 MET HG3 H -0.880 -2.999 2.147 1.00 . A A . 5 MET HG3 1 1 13 972 1 1 5 MET N N -0.148 -3.566 -0.232 1.00 . A A . 5 MET N 1 1 13 973 1 1 5 MET O O -1.875 -6.454 -1.074 1.00 . A A . 5 MET O 1 1 13 974 1 1 5 MET OXT O -2.020 -4.523 -2.121 1.00 . A A . 5 MET OXT 1 1 13 975 1 1 5 MET SD S -1.958 -1.063 1.277 1.00 . A A . 5 MET SD 1 1 14 976 1 1 1 TYR C C 1.351 3.381 0.262 1.00 . A A . 1 TYR C 1 1 14 977 1 1 1 TYR CA C 0.334 3.308 1.398 1.00 . A A . 1 TYR CA 1 1 14 978 1 1 1 TYR CB C -0.865 4.208 1.091 1.00 . A A . 1 TYR CB 1 1 14 979 1 1 1 TYR CD1 C -2.679 2.581 0.417 1.00 . A A . 1 TYR CD1 1 1 14 980 1 1 1 TYR CD2 C -1.874 4.117 -1.220 1.00 . A A . 1 TYR CD2 1 1 14 981 1 1 1 TYR CE1 C -3.552 2.046 -0.510 1.00 . A A . 1 TYR CE1 1 1 14 982 1 1 1 TYR CE2 C -2.744 3.588 -2.151 1.00 . A A . 1 TYR CE2 1 1 14 983 1 1 1 TYR CG C -1.826 3.625 0.078 1.00 . A A . 1 TYR CG 1 1 14 984 1 1 1 TYR CZ C -3.581 2.552 -1.793 1.00 . A A . 1 TYR CZ 1 1 14 985 1 1 1 TYR H1 H 1.648 3.042 2.958 1.00 . A A . 1 TYR H1 1 1 14 986 1 1 1 TYR H2 H 0.169 3.800 3.389 1.00 . A A . 1 TYR H2 1 1 14 987 1 1 1 TYR H3 H 1.369 4.679 2.532 1.00 . A A . 1 TYR H3 1 1 14 988 1 1 1 TYR HA H -0.005 2.289 1.505 1.00 . A A . 1 TYR HA 1 1 14 989 1 1 1 TYR HB2 H -1.415 4.390 2.002 1.00 . A A . 1 TYR HB2 1 1 14 990 1 1 1 TYR HB3 H -0.506 5.148 0.699 1.00 . A A . 1 TYR HB3 1 1 14 991 1 1 1 TYR HD1 H -2.654 2.187 1.423 1.00 . A A . 1 TYR HD1 1 1 14 992 1 1 1 TYR HD2 H -1.217 4.928 -1.498 1.00 . A A . 1 TYR HD2 1 1 14 993 1 1 1 TYR HE1 H -4.207 1.235 -0.229 1.00 . A A . 1 TYR HE1 1 1 14 994 1 1 1 TYR HE2 H -2.765 3.985 -3.156 1.00 . A A . 1 TYR HE2 1 1 14 995 1 1 1 TYR HH H -4.782 2.723 -3.285 1.00 . A A . 1 TYR HH 1 1 14 996 1 1 1 TYR N N 0.934 3.747 2.685 1.00 . A A . 1 TYR N 1 1 14 997 1 1 1 TYR O O 2.482 3.829 0.454 1.00 . A A . 1 TYR O 1 1 14 998 1 1 1 TYR OH O -4.449 2.022 -2.719 1.00 . A A . 1 TYR OH 1 1 14 999 1 1 2 GLY C C 1.499 1.858 -3.068 1.00 . A A . 2 GLY C 1 1 14 1000 1 1 2 GLY CA C 1.812 2.962 -2.075 1.00 . A A . 2 GLY CA 1 1 14 1001 1 1 2 GLY H H 0.029 2.599 -1.012 1.00 . A A . 2 GLY H 1 1 14 1002 1 1 2 GLY HA2 H 1.704 3.915 -2.570 1.00 . A A . 2 GLY HA2 1 1 14 1003 1 1 2 GLY HA3 H 2.833 2.854 -1.742 1.00 . A A . 2 GLY HA3 1 1 14 1004 1 1 2 GLY N N 0.937 2.940 -0.921 1.00 . A A . 2 GLY N 1 1 14 1005 1 1 2 GLY O O 1.860 1.951 -4.242 1.00 . A A . 2 GLY O 1 1 14 1006 1 1 3 GLY C C 1.142 -1.595 -3.069 1.00 . A A . 3 GLY C 1 1 14 1007 1 1 3 GLY CA C 0.471 -0.297 -3.472 1.00 . A A . 3 GLY CA 1 1 14 1008 1 1 3 GLY H H 0.559 0.793 -1.658 1.00 . A A . 3 GLY H 1 1 14 1009 1 1 3 GLY HA2 H -0.599 -0.435 -3.440 1.00 . A A . 3 GLY HA2 1 1 14 1010 1 1 3 GLY HA3 H 0.763 -0.053 -4.482 1.00 . A A . 3 GLY HA3 1 1 14 1011 1 1 3 GLY N N 0.823 0.812 -2.601 1.00 . A A . 3 GLY N 1 1 14 1012 1 1 3 GLY O O 1.308 -2.497 -3.889 1.00 . A A . 3 GLY O 1 1 14 1013 1 1 4 PHE C C 1.133 -3.899 -0.811 1.00 . A A . 4 PHE C 1 1 14 1014 1 1 4 PHE CA C 2.171 -2.891 -1.286 1.00 . A A . 4 PHE CA 1 1 14 1015 1 1 4 PHE CB C 3.114 -2.537 -0.135 1.00 . A A . 4 PHE CB 1 1 14 1016 1 1 4 PHE CD1 C 1.569 -1.860 1.724 1.00 . A A . 4 PHE CD1 1 1 14 1017 1 1 4 PHE CD2 C 3.016 -0.208 0.794 1.00 . A A . 4 PHE CD2 1 1 14 1018 1 1 4 PHE CE1 C 1.052 -0.922 2.595 1.00 . A A . 4 PHE CE1 1 1 14 1019 1 1 4 PHE CE2 C 2.502 0.736 1.663 1.00 . A A . 4 PHE CE2 1 1 14 1020 1 1 4 PHE CG C 2.556 -1.514 0.814 1.00 . A A . 4 PHE CG 1 1 14 1021 1 1 4 PHE CZ C 1.519 0.379 2.565 1.00 . A A . 4 PHE CZ 1 1 14 1022 1 1 4 PHE H H 1.356 -0.942 -1.194 1.00 . A A . 4 PHE H 1 1 14 1023 1 1 4 PHE HA H 2.743 -3.330 -2.089 1.00 . A A . 4 PHE HA 1 1 14 1024 1 1 4 PHE HB2 H 3.326 -3.430 0.431 1.00 . A A . 4 PHE HB2 1 1 14 1025 1 1 4 PHE HB3 H 4.034 -2.145 -0.542 1.00 . A A . 4 PHE HB3 1 1 14 1026 1 1 4 PHE HD1 H 1.204 -2.876 1.747 1.00 . A A . 4 PHE HD1 1 1 14 1027 1 1 4 PHE HD2 H 3.785 0.073 0.088 1.00 . A A . 4 PHE HD2 1 1 14 1028 1 1 4 PHE HE1 H 0.283 -1.204 3.300 1.00 . A A . 4 PHE HE1 1 1 14 1029 1 1 4 PHE HE2 H 2.870 1.752 1.638 1.00 . A A . 4 PHE HE2 1 1 14 1030 1 1 4 PHE HZ H 1.115 1.114 3.245 1.00 . A A . 4 PHE HZ 1 1 14 1031 1 1 4 PHE N N 1.521 -1.691 -1.800 1.00 . A A . 4 PHE N 1 1 14 1032 1 1 4 PHE O O 1.305 -5.108 -0.965 1.00 . A A . 4 PHE O 1 1 14 1033 1 1 5 MET C C -2.026 -4.548 -0.835 1.00 . A A . 5 MET C 1 1 14 1034 1 1 5 MET CA C -1.023 -4.229 0.271 1.00 . A A . 5 MET CA 1 1 14 1035 1 1 5 MET CB C -1.734 -3.544 1.440 1.00 . A A . 5 MET CB 1 1 14 1036 1 1 5 MET CE C -2.463 -0.252 3.216 1.00 . A A . 5 MET CE 1 1 14 1037 1 1 5 MET CG C -2.077 -2.087 1.175 1.00 . A A . 5 MET CG 1 1 14 1038 1 1 5 MET H H -0.016 -2.412 -0.143 1.00 . A A . 5 MET H 1 1 14 1039 1 1 5 MET HA H -0.585 -5.152 0.619 1.00 . A A . 5 MET HA 1 1 14 1040 1 1 5 MET HB2 H -2.650 -4.075 1.649 1.00 . A A . 5 MET HB2 1 1 14 1041 1 1 5 MET HB3 H -1.095 -3.588 2.310 1.00 . A A . 5 MET HB3 1 1 14 1042 1 1 5 MET HE1 H -2.027 -0.726 4.083 1.00 . A A . 5 MET HE1 1 1 14 1043 1 1 5 MET HE2 H -3.134 0.531 3.534 1.00 . A A . 5 MET HE2 1 1 14 1044 1 1 5 MET HE3 H -1.679 0.170 2.605 1.00 . A A . 5 MET HE3 1 1 14 1045 1 1 5 MET HG2 H -1.189 -1.489 1.320 1.00 . A A . 5 MET HG2 1 1 14 1046 1 1 5 MET HG3 H -2.411 -1.990 0.152 1.00 . A A . 5 MET HG3 1 1 14 1047 1 1 5 MET N N 0.056 -3.386 -0.233 1.00 . A A . 5 MET N 1 1 14 1048 1 1 5 MET O O -3.029 -3.814 -0.953 1.00 . A A . 5 MET O 1 1 14 1049 1 1 5 MET OXT O -1.798 -5.528 -1.575 1.00 . A A . 5 MET OXT 1 1 14 1050 1 1 5 MET SD S -3.372 -1.468 2.266 1.00 . A A . 5 MET SD 1 1 15 1051 1 1 1 TYR C C 1.575 3.655 -0.017 1.00 . A A . 1 TYR C 1 1 15 1052 1 1 1 TYR CA C 0.627 3.716 1.176 1.00 . A A . 1 TYR CA 1 1 15 1053 1 1 1 TYR CB C -0.539 4.658 0.871 1.00 . A A . 1 TYR CB 1 1 15 1054 1 1 1 TYR CD1 C -2.446 3.069 0.405 1.00 . A A . 1 TYR CD1 1 1 15 1055 1 1 1 TYR CD2 C -1.699 4.486 -1.361 1.00 . A A . 1 TYR CD2 1 1 15 1056 1 1 1 TYR CE1 C -3.397 2.520 -0.435 1.00 . A A . 1 TYR CE1 1 1 15 1057 1 1 1 TYR CE2 C -2.646 3.941 -2.205 1.00 . A A . 1 TYR CE2 1 1 15 1058 1 1 1 TYR CG C -1.582 4.061 -0.044 1.00 . A A . 1 TYR CG 1 1 15 1059 1 1 1 TYR CZ C -3.493 2.959 -1.738 1.00 . A A . 1 TYR CZ 1 1 15 1060 1 1 1 TYR H1 H 0.601 4.482 3.086 1.00 . A A . 1 TYR H1 1 1 15 1061 1 1 1 TYR H2 H 1.910 5.021 2.117 1.00 . A A . 1 TYR H2 1 1 15 1062 1 1 1 TYR H3 H 1.913 3.428 2.756 1.00 . A A . 1 TYR H3 1 1 15 1063 1 1 1 TYR HA H 0.243 2.726 1.373 1.00 . A A . 1 TYR HA 1 1 15 1064 1 1 1 TYR HB2 H -1.025 4.930 1.794 1.00 . A A . 1 TYR HB2 1 1 15 1065 1 1 1 TYR HB3 H -0.155 5.548 0.396 1.00 . A A . 1 TYR HB3 1 1 15 1066 1 1 1 TYR HD1 H -2.368 2.727 1.426 1.00 . A A . 1 TYR HD1 1 1 15 1067 1 1 1 TYR HD2 H -1.035 5.255 -1.725 1.00 . A A . 1 TYR HD2 1 1 15 1068 1 1 1 TYR HE1 H -4.061 1.751 -0.068 1.00 . A A . 1 TYR HE1 1 1 15 1069 1 1 1 TYR HE2 H -2.718 4.285 -3.226 1.00 . A A . 1 TYR HE2 1 1 15 1070 1 1 1 TYR HH H -4.064 2.305 -3.454 1.00 . A A . 1 TYR HH 1 1 15 1071 1 1 1 TYR N N 1.326 4.205 2.393 1.00 . A A . 1 TYR N 1 1 15 1072 1 1 1 TYR O O 2.738 4.048 0.078 1.00 . A A . 1 TYR O 1 1 15 1073 1 1 1 TYR OH O -4.439 2.414 -2.577 1.00 . A A . 1 TYR OH 1 1 15 1074 1 1 2 GLY C C 1.445 1.903 -3.226 1.00 . A A . 2 GLY C 1 1 15 1075 1 1 2 GLY CA C 1.870 3.059 -2.341 1.00 . A A . 2 GLY CA 1 1 15 1076 1 1 2 GLY H H 0.137 2.869 -1.157 1.00 . A A . 2 GLY H 1 1 15 1077 1 1 2 GLY HA2 H 1.773 3.977 -2.899 1.00 . A A . 2 GLY HA2 1 1 15 1078 1 1 2 GLY HA3 H 2.903 2.925 -2.061 1.00 . A A . 2 GLY HA3 1 1 15 1079 1 1 2 GLY N N 1.067 3.162 -1.141 1.00 . A A . 2 GLY N 1 1 15 1080 1 1 2 GLY O O 1.669 1.926 -4.437 1.00 . A A . 2 GLY O 1 1 15 1081 1 1 3 GLY C C 1.091 -1.539 -2.978 1.00 . A A . 3 GLY C 1 1 15 1082 1 1 3 GLY CA C 0.381 -0.262 -3.382 1.00 . A A . 3 GLY CA 1 1 15 1083 1 1 3 GLY H H 0.676 0.927 -1.656 1.00 . A A . 3 GLY H 1 1 15 1084 1 1 3 GLY HA2 H -0.680 -0.391 -3.226 1.00 . A A . 3 GLY HA2 1 1 15 1085 1 1 3 GLY HA3 H 0.560 -0.081 -4.432 1.00 . A A . 3 GLY HA3 1 1 15 1086 1 1 3 GLY N N 0.830 0.891 -2.623 1.00 . A A . 3 GLY N 1 1 15 1087 1 1 3 GLY O O 1.369 -2.395 -3.818 1.00 . A A . 3 GLY O 1 1 15 1088 1 1 4 PHE C C 1.055 -3.933 -0.799 1.00 . A A . 4 PHE C 1 1 15 1089 1 1 4 PHE CA C 2.061 -2.853 -1.176 1.00 . A A . 4 PHE CA 1 1 15 1090 1 1 4 PHE CB C 2.924 -2.497 0.037 1.00 . A A . 4 PHE CB 1 1 15 1091 1 1 4 PHE CD1 C 1.425 -2.037 1.998 1.00 . A A . 4 PHE CD1 1 1 15 1092 1 1 4 PHE CD2 C 2.472 -0.190 0.913 1.00 . A A . 4 PHE CD2 1 1 15 1093 1 1 4 PHE CE1 C 0.815 -1.173 2.888 1.00 . A A . 4 PHE CE1 1 1 15 1094 1 1 4 PHE CE2 C 1.865 0.679 1.799 1.00 . A A . 4 PHE CE2 1 1 15 1095 1 1 4 PHE CG C 2.260 -1.557 1.002 1.00 . A A . 4 PHE CG 1 1 15 1096 1 1 4 PHE CZ C 1.036 0.187 2.787 1.00 . A A . 4 PHE CZ 1 1 15 1097 1 1 4 PHE H H 1.133 -0.952 -1.068 1.00 . A A . 4 PHE H 1 1 15 1098 1 1 4 PHE HA H 2.700 -3.233 -1.961 1.00 . A A . 4 PHE HA 1 1 15 1099 1 1 4 PHE HB2 H 3.164 -3.402 0.573 1.00 . A A . 4 PHE HB2 1 1 15 1100 1 1 4 PHE HB3 H 3.837 -2.033 -0.305 1.00 . A A . 4 PHE HB3 1 1 15 1101 1 1 4 PHE HD1 H 1.252 -3.101 2.077 1.00 . A A . 4 PHE HD1 1 1 15 1102 1 1 4 PHE HD2 H 3.121 0.196 0.140 1.00 . A A . 4 PHE HD2 1 1 15 1103 1 1 4 PHE HE1 H 0.166 -1.561 3.659 1.00 . A A . 4 PHE HE1 1 1 15 1104 1 1 4 PHE HE2 H 2.039 1.740 1.719 1.00 . A A . 4 PHE HE2 1 1 15 1105 1 1 4 PHE HZ H 0.560 0.863 3.481 1.00 . A A . 4 PHE HZ 1 1 15 1106 1 1 4 PHE N N 1.383 -1.668 -1.688 1.00 . A A . 4 PHE N 1 1 15 1107 1 1 4 PHE O O 1.285 -5.120 -1.028 1.00 . A A . 4 PHE O 1 1 15 1108 1 1 5 MET C C -1.776 -5.079 -1.022 1.00 . A A . 5 MET C 1 1 15 1109 1 1 5 MET CA C -1.109 -4.442 0.192 1.00 . A A . 5 MET CA 1 1 15 1110 1 1 5 MET CB C -2.156 -3.721 1.043 1.00 . A A . 5 MET CB 1 1 15 1111 1 1 5 MET CE C -3.481 -0.921 2.728 1.00 . A A . 5 MET CE 1 1 15 1112 1 1 5 MET CG C -1.559 -2.819 2.110 1.00 . A A . 5 MET CG 1 1 15 1113 1 1 5 MET H H -0.187 -2.553 -0.064 1.00 . A A . 5 MET H 1 1 15 1114 1 1 5 MET HA H -0.649 -5.218 0.784 1.00 . A A . 5 MET HA 1 1 15 1115 1 1 5 MET HB2 H -2.775 -3.117 0.397 1.00 . A A . 5 MET HB2 1 1 15 1116 1 1 5 MET HB3 H -2.775 -4.459 1.533 1.00 . A A . 5 MET HB3 1 1 15 1117 1 1 5 MET HE1 H -3.738 -0.247 3.532 1.00 . A A . 5 MET HE1 1 1 15 1118 1 1 5 MET HE2 H -4.373 -1.186 2.181 1.00 . A A . 5 MET HE2 1 1 15 1119 1 1 5 MET HE3 H -2.780 -0.439 2.063 1.00 . A A . 5 MET HE3 1 1 15 1120 1 1 5 MET HG2 H -0.716 -3.324 2.558 1.00 . A A . 5 MET HG2 1 1 15 1121 1 1 5 MET HG3 H -1.221 -1.906 1.642 1.00 . A A . 5 MET HG3 1 1 15 1122 1 1 5 MET N N -0.063 -3.511 -0.219 1.00 . A A . 5 MET N 1 1 15 1123 1 1 5 MET O O -1.780 -6.325 -1.108 1.00 . A A . 5 MET O 1 1 15 1124 1 1 5 MET OXT O -2.291 -4.327 -1.877 1.00 . A A . 5 MET OXT 1 1 15 1125 1 1 5 MET SD S -2.737 -2.402 3.409 1.00 . A A . 5 MET SD 1 1 16 1126 1 1 1 TYR C C 1.574 3.638 0.023 1.00 . A A . 1 TYR C 1 1 16 1127 1 1 1 TYR CA C 0.718 3.681 1.284 1.00 . A A . 1 TYR CA 1 1 16 1128 1 1 1 TYR CB C -0.509 4.566 1.052 1.00 . A A . 1 TYR CB 1 1 16 1129 1 1 1 TYR CD1 C -2.410 2.919 0.820 1.00 . A A . 1 TYR CD1 1 1 16 1130 1 1 1 TYR CD2 C -1.816 4.232 -1.077 1.00 . A A . 1 TYR CD2 1 1 16 1131 1 1 1 TYR CE1 C -3.404 2.301 0.087 1.00 . A A . 1 TYR CE1 1 1 16 1132 1 1 1 TYR CE2 C -2.808 3.620 -1.818 1.00 . A A . 1 TYR CE2 1 1 16 1133 1 1 1 TYR CG C -1.600 3.893 0.251 1.00 . A A . 1 TYR CG 1 1 16 1134 1 1 1 TYR CZ C -3.599 2.654 -1.233 1.00 . A A . 1 TYR CZ 1 1 16 1135 1 1 1 TYR H1 H 2.403 3.738 2.463 1.00 . A A . 1 TYR H1 1 1 16 1136 1 1 1 TYR H2 H 0.933 4.034 3.299 1.00 . A A . 1 TYR H2 1 1 16 1137 1 1 1 TYR H3 H 1.604 5.244 2.285 1.00 . A A . 1 TYR H3 1 1 16 1138 1 1 1 TYR HA H 0.394 2.680 1.526 1.00 . A A . 1 TYR HA 1 1 16 1139 1 1 1 TYR HB2 H -0.925 4.852 2.005 1.00 . A A . 1 TYR HB2 1 1 16 1140 1 1 1 TYR HB3 H -0.204 5.451 0.516 1.00 . A A . 1 TYR HB3 1 1 16 1141 1 1 1 TYR HD1 H -2.254 2.645 1.854 1.00 . A A . 1 TYR HD1 1 1 16 1142 1 1 1 TYR HD2 H -1.195 4.988 -1.534 1.00 . A A . 1 TYR HD2 1 1 16 1143 1 1 1 TYR HE1 H -4.023 1.545 0.547 1.00 . A A . 1 TYR HE1 1 1 16 1144 1 1 1 TYR HE2 H -2.957 3.896 -2.851 1.00 . A A . 1 TYR HE2 1 1 16 1145 1 1 1 TYR HH H -5.368 1.925 -1.419 1.00 . A A . 1 TYR HH 1 1 16 1146 1 1 1 TYR N N 1.483 4.223 2.436 1.00 . A A . 1 TYR N 1 1 16 1147 1 1 1 TYR O O 2.715 4.099 0.015 1.00 . A A . 1 TYR O 1 1 16 1148 1 1 1 TYR OH O -4.588 2.041 -1.966 1.00 . A A . 1 TYR OH 1 1 16 1149 1 1 2 GLY C C 1.263 1.811 -3.140 1.00 . A A . 2 GLY C 1 1 16 1150 1 1 2 GLY CA C 1.721 2.986 -2.300 1.00 . A A . 2 GLY CA 1 1 16 1151 1 1 2 GLY H H 0.102 2.737 -0.977 1.00 . A A . 2 GLY H 1 1 16 1152 1 1 2 GLY HA2 H 1.557 3.895 -2.856 1.00 . A A . 2 GLY HA2 1 1 16 1153 1 1 2 GLY HA3 H 2.775 2.883 -2.097 1.00 . A A . 2 GLY HA3 1 1 16 1154 1 1 2 GLY N N 1.010 3.081 -1.044 1.00 . A A . 2 GLY N 1 1 16 1155 1 1 2 GLY O O 1.412 1.819 -4.363 1.00 . A A . 2 GLY O 1 1 16 1156 1 1 3 GLY C C 0.897 -1.653 -2.760 1.00 . A A . 3 GLY C 1 1 16 1157 1 1 3 GLY CA C 0.221 -0.370 -3.204 1.00 . A A . 3 GLY CA 1 1 16 1158 1 1 3 GLY H H 0.601 0.848 -1.514 1.00 . A A . 3 GLY H 1 1 16 1159 1 1 3 GLY HA2 H -0.843 -0.465 -3.044 1.00 . A A . 3 GLY HA2 1 1 16 1160 1 1 3 GLY HA3 H 0.401 -0.229 -4.260 1.00 . A A . 3 GLY HA3 1 1 16 1161 1 1 3 GLY N N 0.699 0.799 -2.488 1.00 . A A . 3 GLY N 1 1 16 1162 1 1 3 GLY O O 0.980 -2.612 -3.526 1.00 . A A . 3 GLY O 1 1 16 1163 1 1 4 PHE C C 1.031 -3.947 -0.652 1.00 . A A . 4 PHE C 1 1 16 1164 1 1 4 PHE CA C 2.045 -2.860 -0.988 1.00 . A A . 4 PHE CA 1 1 16 1165 1 1 4 PHE CB C 2.874 -2.520 0.255 1.00 . A A . 4 PHE CB 1 1 16 1166 1 1 4 PHE CD1 C 1.383 -1.713 2.105 1.00 . A A . 4 PHE CD1 1 1 16 1167 1 1 4 PHE CD2 C 2.691 -0.107 0.924 1.00 . A A . 4 PHE CD2 1 1 16 1168 1 1 4 PHE CE1 C 0.859 -0.709 2.897 1.00 . A A . 4 PHE CE1 1 1 16 1169 1 1 4 PHE CE2 C 2.171 0.901 1.713 1.00 . A A . 4 PHE CE2 1 1 16 1170 1 1 4 PHE CG C 2.302 -1.423 1.111 1.00 . A A . 4 PHE CG 1 1 16 1171 1 1 4 PHE CZ C 1.254 0.600 2.701 1.00 . A A . 4 PHE CZ 1 1 16 1172 1 1 4 PHE H H 1.281 -0.884 -0.955 1.00 . A A . 4 PHE H 1 1 16 1173 1 1 4 PHE HA H 2.707 -3.235 -1.755 1.00 . A A . 4 PHE HA 1 1 16 1174 1 1 4 PHE HB2 H 2.953 -3.402 0.870 1.00 . A A . 4 PHE HB2 1 1 16 1175 1 1 4 PHE HB3 H 3.861 -2.217 -0.056 1.00 . A A . 4 PHE HB3 1 1 16 1176 1 1 4 PHE HD1 H 1.075 -2.736 2.260 1.00 . A A . 4 PHE HD1 1 1 16 1177 1 1 4 PHE HD2 H 3.406 0.129 0.151 1.00 . A A . 4 PHE HD2 1 1 16 1178 1 1 4 PHE HE1 H 0.142 -0.948 3.669 1.00 . A A . 4 PHE HE1 1 1 16 1179 1 1 4 PHE HE2 H 2.482 1.923 1.558 1.00 . A A . 4 PHE HE2 1 1 16 1180 1 1 4 PHE HZ H 0.846 1.387 3.320 1.00 . A A . 4 PHE HZ 1 1 16 1181 1 1 4 PHE N N 1.379 -1.676 -1.520 1.00 . A A . 4 PHE N 1 1 16 1182 1 1 4 PHE O O 1.314 -5.139 -0.780 1.00 . A A . 4 PHE O 1 1 16 1183 1 1 5 MET C C -1.724 -5.198 -1.099 1.00 . A A . 5 MET C 1 1 16 1184 1 1 5 MET CA C -1.214 -4.463 0.136 1.00 . A A . 5 MET CA 1 1 16 1185 1 1 5 MET CB C -2.374 -3.728 0.812 1.00 . A A . 5 MET CB 1 1 16 1186 1 1 5 MET CE C -2.009 -0.719 -0.093 1.00 . A A . 5 MET CE 1 1 16 1187 1 1 5 MET CG C -1.933 -2.702 1.843 1.00 . A A . 5 MET CG 1 1 16 1188 1 1 5 MET H H -0.313 -2.565 -0.136 1.00 . A A . 5 MET H 1 1 16 1189 1 1 5 MET HA H -0.804 -5.185 0.826 1.00 . A A . 5 MET HA 1 1 16 1190 1 1 5 MET HB2 H -2.952 -3.220 0.054 1.00 . A A . 5 MET HB2 1 1 16 1191 1 1 5 MET HB3 H -3.005 -4.453 1.304 1.00 . A A . 5 MET HB3 1 1 16 1192 1 1 5 MET HE1 H -1.992 -1.629 -0.673 1.00 . A A . 5 MET HE1 1 1 16 1193 1 1 5 MET HE2 H -1.007 -0.321 -0.018 1.00 . A A . 5 MET HE2 1 1 16 1194 1 1 5 MET HE3 H -2.647 0.005 -0.576 1.00 . A A . 5 MET HE3 1 1 16 1195 1 1 5 MET HG2 H -2.244 -3.039 2.821 1.00 . A A . 5 MET HG2 1 1 16 1196 1 1 5 MET HG3 H -0.857 -2.627 1.817 1.00 . A A . 5 MET HG3 1 1 16 1197 1 1 5 MET N N -0.152 -3.527 -0.220 1.00 . A A . 5 MET N 1 1 16 1198 1 1 5 MET O O -2.550 -4.616 -1.834 1.00 . A A . 5 MET O 1 1 16 1199 1 1 5 MET OXT O -1.293 -6.349 -1.324 1.00 . A A . 5 MET OXT 1 1 16 1200 1 1 5 MET SD S -2.636 -1.068 1.549 1.00 . A A . 5 MET SD 1 1 17 1201 1 1 1 TYR C C 1.375 3.352 0.176 1.00 . A A . 1 TYR C 1 1 17 1202 1 1 1 TYR CA C 0.375 3.329 1.328 1.00 . A A . 1 TYR CA 1 1 17 1203 1 1 1 TYR CB C -0.762 4.315 1.056 1.00 . A A . 1 TYR CB 1 1 17 1204 1 1 1 TYR CD1 C -2.644 2.778 0.365 1.00 . A A . 1 TYR CD1 1 1 17 1205 1 1 1 TYR CD2 C -1.855 4.377 -1.217 1.00 . A A . 1 TYR CD2 1 1 17 1206 1 1 1 TYR CE1 C -3.567 2.317 -0.555 1.00 . A A . 1 TYR CE1 1 1 17 1207 1 1 1 TYR CE2 C -2.774 3.923 -2.142 1.00 . A A . 1 TYR CE2 1 1 17 1208 1 1 1 TYR CG C -1.775 3.814 0.050 1.00 . A A . 1 TYR CG 1 1 17 1209 1 1 1 TYR CZ C -3.627 2.893 -1.807 1.00 . A A . 1 TYR CZ 1 1 17 1210 1 1 1 TYR H1 H 1.679 4.483 2.424 1.00 . A A . 1 TYR H1 1 1 17 1211 1 1 1 TYR H2 H 1.533 2.862 2.965 1.00 . A A . 1 TYR H2 1 1 17 1212 1 1 1 TYR H3 H 0.278 3.988 3.277 1.00 . A A . 1 TYR H3 1 1 17 1213 1 1 1 TYR HA H -0.032 2.333 1.422 1.00 . A A . 1 TYR HA 1 1 17 1214 1 1 1 TYR HB2 H -1.285 4.517 1.978 1.00 . A A . 1 TYR HB2 1 1 17 1215 1 1 1 TYR HB3 H -0.344 5.234 0.675 1.00 . A A . 1 TYR HB3 1 1 17 1216 1 1 1 TYR HD1 H -2.593 2.329 1.347 1.00 . A A . 1 TYR HD1 1 1 17 1217 1 1 1 TYR HD2 H -1.184 5.183 -1.477 1.00 . A A . 1 TYR HD2 1 1 17 1218 1 1 1 TYR HE1 H -4.236 1.511 -0.292 1.00 . A A . 1 TYR HE1 1 1 17 1219 1 1 1 TYR HE2 H -2.818 4.372 -3.122 1.00 . A A . 1 TYR HE2 1 1 17 1220 1 1 1 TYR HH H -4.140 2.410 -3.596 1.00 . A A . 1 TYR HH 1 1 17 1221 1 1 1 TYR N N 1.024 3.699 2.614 1.00 . A A . 1 TYR N 1 1 17 1222 1 1 1 TYR O O 2.541 3.703 0.359 1.00 . A A . 1 TYR O 1 1 17 1223 1 1 1 TYR OH O -4.544 2.437 -2.726 1.00 . A A . 1 TYR OH 1 1 17 1224 1 1 2 GLY C C 1.435 1.825 -3.126 1.00 . A A . 2 GLY C 1 1 17 1225 1 1 2 GLY CA C 1.765 2.963 -2.178 1.00 . A A . 2 GLY CA 1 1 17 1226 1 1 2 GLY H H -0.026 2.711 -1.094 1.00 . A A . 2 GLY H 1 1 17 1227 1 1 2 GLY HA2 H 1.647 3.898 -2.703 1.00 . A A . 2 GLY HA2 1 1 17 1228 1 1 2 GLY HA3 H 2.791 2.867 -1.858 1.00 . A A . 2 GLY HA3 1 1 17 1229 1 1 2 GLY N N 0.909 2.979 -1.010 1.00 . A A . 2 GLY N 1 1 17 1230 1 1 2 GLY O O 1.787 1.871 -4.305 1.00 . A A . 2 GLY O 1 1 17 1231 1 1 3 GLY C C 1.121 -1.598 -3.040 1.00 . A A . 3 GLY C 1 1 17 1232 1 1 3 GLY CA C 0.390 -0.332 -3.436 1.00 . A A . 3 GLY CA 1 1 17 1233 1 1 3 GLY H H 0.501 0.823 -1.666 1.00 . A A . 3 GLY H 1 1 17 1234 1 1 3 GLY HA2 H -0.673 -0.502 -3.341 1.00 . A A . 3 GLY HA2 1 1 17 1235 1 1 3 GLY HA3 H 0.616 -0.106 -4.467 1.00 . A A . 3 GLY HA3 1 1 17 1236 1 1 3 GLY N N 0.756 0.804 -2.612 1.00 . A A . 3 GLY N 1 1 17 1237 1 1 3 GLY O O 1.345 -2.480 -3.868 1.00 . A A . 3 GLY O 1 1 17 1238 1 1 4 PHE C C 1.210 -3.927 -0.802 1.00 . A A . 4 PHE C 1 1 17 1239 1 1 4 PHE CA C 2.196 -2.860 -1.259 1.00 . A A . 4 PHE CA 1 1 17 1240 1 1 4 PHE CB C 3.114 -2.472 -0.098 1.00 . A A . 4 PHE CB 1 1 17 1241 1 1 4 PHE CD1 C 1.562 -1.922 1.796 1.00 . A A . 4 PHE CD1 1 1 17 1242 1 1 4 PHE CD2 C 2.855 -0.161 0.841 1.00 . A A . 4 PHE CD2 1 1 17 1243 1 1 4 PHE CE1 C 0.996 -1.028 2.684 1.00 . A A . 4 PHE CE1 1 1 17 1244 1 1 4 PHE CE2 C 2.292 0.737 1.725 1.00 . A A . 4 PHE CE2 1 1 17 1245 1 1 4 PHE CG C 2.497 -1.499 0.866 1.00 . A A . 4 PHE CG 1 1 17 1246 1 1 4 PHE CZ C 1.360 0.304 2.649 1.00 . A A . 4 PHE CZ 1 1 17 1247 1 1 4 PHE H H 1.278 -0.955 -1.155 1.00 . A A . 4 PHE H 1 1 17 1248 1 1 4 PHE HA H 2.796 -3.261 -2.063 1.00 . A A . 4 PHE HA 1 1 17 1249 1 1 4 PHE HB2 H 3.374 -3.361 0.454 1.00 . A A . 4 PHE HB2 1 1 17 1250 1 1 4 PHE HB3 H 4.012 -2.024 -0.495 1.00 . A A . 4 PHE HB3 1 1 17 1251 1 1 4 PHE HD1 H 1.277 -2.963 1.824 1.00 . A A . 4 PHE HD1 1 1 17 1252 1 1 4 PHE HD2 H 3.582 0.180 0.119 1.00 . A A . 4 PHE HD2 1 1 17 1253 1 1 4 PHE HE1 H 0.268 -1.371 3.405 1.00 . A A . 4 PHE HE1 1 1 17 1254 1 1 4 PHE HE2 H 2.580 1.778 1.696 1.00 . A A . 4 PHE HE2 1 1 17 1255 1 1 4 PHE HZ H 0.918 1.004 3.342 1.00 . A A . 4 PHE HZ 1 1 17 1256 1 1 4 PHE N N 1.489 -1.690 -1.767 1.00 . A A . 4 PHE N 1 1 17 1257 1 1 4 PHE O O 1.439 -5.122 -0.986 1.00 . A A . 4 PHE O 1 1 17 1258 1 1 5 MET C C -1.911 -4.736 -0.824 1.00 . A A . 5 MET C 1 1 17 1259 1 1 5 MET CA C -0.918 -4.394 0.283 1.00 . A A . 5 MET CA 1 1 17 1260 1 1 5 MET CB C -1.654 -3.778 1.476 1.00 . A A . 5 MET CB 1 1 17 1261 1 1 5 MET CE C -2.553 -0.318 3.100 1.00 . A A . 5 MET CE 1 1 17 1262 1 1 5 MET CG C -2.068 -2.332 1.258 1.00 . A A . 5 MET CG 1 1 17 1263 1 1 5 MET H H -0.008 -2.517 -0.090 1.00 . A A . 5 MET H 1 1 17 1264 1 1 5 MET HA H -0.430 -5.302 0.604 1.00 . A A . 5 MET HA 1 1 17 1265 1 1 5 MET HB2 H -2.544 -4.358 1.672 1.00 . A A . 5 MET HB2 1 1 17 1266 1 1 5 MET HB3 H -1.010 -3.820 2.341 1.00 . A A . 5 MET HB3 1 1 17 1267 1 1 5 MET HE1 H -2.807 0.534 2.489 1.00 . A A . 5 MET HE1 1 1 17 1268 1 1 5 MET HE2 H -1.481 -0.450 3.109 1.00 . A A . 5 MET HE2 1 1 17 1269 1 1 5 MET HE3 H -2.904 -0.157 4.108 1.00 . A A . 5 MET HE3 1 1 17 1270 1 1 5 MET HG2 H -1.198 -1.702 1.370 1.00 . A A . 5 MET HG2 1 1 17 1271 1 1 5 MET HG3 H -2.459 -2.229 0.256 1.00 . A A . 5 MET HG3 1 1 17 1272 1 1 5 MET N N 0.111 -3.482 -0.205 1.00 . A A . 5 MET N 1 1 17 1273 1 1 5 MET O O -2.960 -4.064 -0.907 1.00 . A A . 5 MET O 1 1 17 1274 1 1 5 MET OXT O -1.629 -5.674 -1.599 1.00 . A A . 5 MET OXT 1 1 17 1275 1 1 5 MET SD S -3.328 -1.787 2.427 1.00 . A A . 5 MET SD 1 1 18 1276 1 1 1 TYR C C 1.569 3.671 0.032 1.00 . A A . 1 TYR C 1 1 18 1277 1 1 1 TYR CA C 0.690 3.691 1.279 1.00 . A A . 1 TYR CA 1 1 18 1278 1 1 1 TYR CB C -0.558 4.538 1.025 1.00 . A A . 1 TYR CB 1 1 18 1279 1 1 1 TYR CD1 C -2.403 2.835 0.747 1.00 . A A . 1 TYR CD1 1 1 18 1280 1 1 1 TYR CD2 C -1.809 4.174 -1.134 1.00 . A A . 1 TYR CD2 1 1 18 1281 1 1 1 TYR CE1 C -3.362 2.190 -0.011 1.00 . A A . 1 TYR CE1 1 1 18 1282 1 1 1 TYR CE2 C -2.764 3.534 -1.898 1.00 . A A . 1 TYR CE2 1 1 18 1283 1 1 1 TYR CG C -1.611 3.837 0.198 1.00 . A A . 1 TYR CG 1 1 18 1284 1 1 1 TYR CZ C -3.538 2.542 -1.333 1.00 . A A . 1 TYR CZ 1 1 18 1285 1 1 1 TYR H1 H 1.517 5.282 2.288 1.00 . A A . 1 TYR H1 1 1 18 1286 1 1 1 TYR H2 H 2.351 3.796 2.489 1.00 . A A . 1 TYR H2 1 1 18 1287 1 1 1 TYR H3 H 0.860 4.061 3.296 1.00 . A A . 1 TYR H3 1 1 18 1288 1 1 1 TYR HA H 0.393 2.681 1.517 1.00 . A A . 1 TYR HA 1 1 18 1289 1 1 1 TYR HB2 H -1.003 4.807 1.971 1.00 . A A . 1 TYR HB2 1 1 18 1290 1 1 1 TYR HB3 H -0.270 5.435 0.499 1.00 . A A . 1 TYR HB3 1 1 18 1291 1 1 1 TYR HD1 H -2.262 2.562 1.782 1.00 . A A . 1 TYR HD1 1 1 18 1292 1 1 1 TYR HD2 H -1.201 4.950 -1.574 1.00 . A A . 1 TYR HD2 1 1 18 1293 1 1 1 TYR HE1 H -3.967 1.413 0.432 1.00 . A A . 1 TYR HE1 1 1 18 1294 1 1 1 TYR HE2 H -2.899 3.811 -2.933 1.00 . A A . 1 TYR HE2 1 1 18 1295 1 1 1 TYR HH H -4.925 2.539 -2.665 1.00 . A A . 1 TYR HH 1 1 18 1296 1 1 1 TYR N N 1.420 4.258 2.442 1.00 . A A . 1 TYR N 1 1 18 1297 1 1 1 TYR O O 2.696 4.166 0.045 1.00 . A A . 1 TYR O 1 1 18 1298 1 1 1 TYR OH O -4.491 1.903 -2.091 1.00 . A A . 1 TYR OH 1 1 18 1299 1 1 2 GLY C C 1.338 1.861 -3.154 1.00 . A A . 2 GLY C 1 1 18 1300 1 1 2 GLY CA C 1.775 3.026 -2.287 1.00 . A A . 2 GLY CA 1 1 18 1301 1 1 2 GLY H H 0.139 2.730 -0.993 1.00 . A A . 2 GLY H 1 1 18 1302 1 1 2 GLY HA2 H 1.617 3.943 -2.834 1.00 . A A . 2 GLY HA2 1 1 18 1303 1 1 2 GLY HA3 H 2.826 2.924 -2.066 1.00 . A A . 2 GLY HA3 1 1 18 1304 1 1 2 GLY N N 1.039 3.100 -1.044 1.00 . A A . 2 GLY N 1 1 18 1305 1 1 2 GLY O O 1.494 1.896 -4.375 1.00 . A A . 2 GLY O 1 1 18 1306 1 1 3 GLY C C 0.988 -1.621 -2.819 1.00 . A A . 3 GLY C 1 1 18 1307 1 1 3 GLY CA C 0.325 -0.332 -3.269 1.00 . A A . 3 GLY CA 1 1 18 1308 1 1 3 GLY H H 0.678 0.858 -1.552 1.00 . A A . 3 GLY H 1 1 18 1309 1 1 3 GLY HA2 H -0.743 -0.427 -3.140 1.00 . A A . 3 GLY HA2 1 1 18 1310 1 1 3 GLY HA3 H 0.537 -0.180 -4.317 1.00 . A A . 3 GLY HA3 1 1 18 1311 1 1 3 GLY N N 0.783 0.829 -2.525 1.00 . A A . 3 GLY N 1 1 18 1312 1 1 3 GLY O O 1.138 -2.554 -3.608 1.00 . A A . 3 GLY O 1 1 18 1313 1 1 4 PHE C C 0.993 -3.950 -0.694 1.00 . A A . 4 PHE C 1 1 18 1314 1 1 4 PHE CA C 2.024 -2.872 -1.009 1.00 . A A . 4 PHE CA 1 1 18 1315 1 1 4 PHE CB C 2.833 -2.541 0.249 1.00 . A A . 4 PHE CB 1 1 18 1316 1 1 4 PHE CD1 C 1.318 -1.747 2.086 1.00 . A A . 4 PHE CD1 1 1 18 1317 1 1 4 PHE CD2 C 2.629 -0.130 0.922 1.00 . A A . 4 PHE CD2 1 1 18 1318 1 1 4 PHE CE1 C 0.779 -0.746 2.874 1.00 . A A . 4 PHE CE1 1 1 18 1319 1 1 4 PHE CE2 C 2.095 0.873 1.707 1.00 . A A . 4 PHE CE2 1 1 18 1320 1 1 4 PHE CG C 2.246 -1.449 1.102 1.00 . A A . 4 PHE CG 1 1 18 1321 1 1 4 PHE CZ C 1.169 0.565 2.684 1.00 . A A . 4 PHE CZ 1 1 18 1322 1 1 4 PHE H H 1.233 -0.909 -0.968 1.00 . A A . 4 PHE H 1 1 18 1323 1 1 4 PHE HA H 2.696 -3.252 -1.764 1.00 . A A . 4 PHE HA 1 1 18 1324 1 1 4 PHE HB2 H 2.902 -3.426 0.858 1.00 . A A . 4 PHE HB2 1 1 18 1325 1 1 4 PHE HB3 H 3.824 -2.233 -0.045 1.00 . A A . 4 PHE HB3 1 1 18 1326 1 1 4 PHE HD1 H 1.012 -2.771 2.235 1.00 . A A . 4 PHE HD1 1 1 18 1327 1 1 4 PHE HD2 H 3.352 0.112 0.157 1.00 . A A . 4 PHE HD2 1 1 18 1328 1 1 4 PHE HE1 H 0.055 -0.991 3.638 1.00 . A A . 4 PHE HE1 1 1 18 1329 1 1 4 PHE HE2 H 2.403 1.898 1.558 1.00 . A A . 4 PHE HE2 1 1 18 1330 1 1 4 PHE HZ H 0.751 1.348 3.300 1.00 . A A . 4 PHE HZ 1 1 18 1331 1 1 4 PHE N N 1.381 -1.680 -1.550 1.00 . A A . 4 PHE N 1 1 18 1332 1 1 4 PHE O O 1.262 -5.142 -0.833 1.00 . A A . 4 PHE O 1 1 18 1333 1 1 5 MET C C -1.772 -5.162 -1.184 1.00 . A A . 5 MET C 1 1 18 1334 1 1 5 MET CA C -1.266 -4.448 0.065 1.00 . A A . 5 MET CA 1 1 18 1335 1 1 5 MET CB C -2.424 -3.706 0.738 1.00 . A A . 5 MET CB 1 1 18 1336 1 1 5 MET CE C -1.651 -0.207 1.023 1.00 . A A . 5 MET CE 1 1 18 1337 1 1 5 MET CG C -1.992 -2.817 1.891 1.00 . A A . 5 MET CG 1 1 18 1338 1 1 5 MET H H -0.341 -2.557 -0.178 1.00 . A A . 5 MET H 1 1 18 1339 1 1 5 MET HA H -0.871 -5.181 0.751 1.00 . A A . 5 MET HA 1 1 18 1340 1 1 5 MET HB2 H -2.917 -3.089 0.000 1.00 . A A . 5 MET HB2 1 1 18 1341 1 1 5 MET HB3 H -3.128 -4.432 1.116 1.00 . A A . 5 MET HB3 1 1 18 1342 1 1 5 MET HE1 H -1.451 0.687 1.596 1.00 . A A . 5 MET HE1 1 1 18 1343 1 1 5 MET HE2 H -2.053 0.066 0.058 1.00 . A A . 5 MET HE2 1 1 18 1344 1 1 5 MET HE3 H -0.735 -0.760 0.887 1.00 . A A . 5 MET HE3 1 1 18 1345 1 1 5 MET HG2 H -2.206 -3.324 2.820 1.00 . A A . 5 MET HG2 1 1 18 1346 1 1 5 MET HG3 H -0.931 -2.643 1.815 1.00 . A A . 5 MET HG3 1 1 18 1347 1 1 5 MET N N -0.190 -3.519 -0.269 1.00 . A A . 5 MET N 1 1 18 1348 1 1 5 MET O O -1.333 -4.794 -2.294 1.00 . A A . 5 MET O 1 1 18 1349 1 1 5 MET OXT O -2.603 -6.083 -1.042 1.00 . A A . 5 MET OXT 1 1 18 1350 1 1 5 MET SD S -2.838 -1.224 1.898 1.00 . A A . 5 MET SD 1 1 19 1351 1 1 1 TYR C C 1.530 3.662 -0.073 1.00 . A A . 1 TYR C 1 1 19 1352 1 1 1 TYR CA C 0.626 3.784 1.150 1.00 . A A . 1 TYR CA 1 1 19 1353 1 1 1 TYR CB C -0.501 4.782 0.873 1.00 . A A . 1 TYR CB 1 1 19 1354 1 1 1 TYR CD1 C -2.432 3.224 0.408 1.00 . A A . 1 TYR CD1 1 1 19 1355 1 1 1 TYR CD2 C -1.762 4.734 -1.309 1.00 . A A . 1 TYR CD2 1 1 19 1356 1 1 1 TYR CE1 C -3.423 2.722 -0.415 1.00 . A A . 1 TYR CE1 1 1 19 1357 1 1 1 TYR CE2 C -2.750 4.239 -2.138 1.00 . A A . 1 TYR CE2 1 1 19 1358 1 1 1 TYR CG C -1.587 4.237 -0.025 1.00 . A A . 1 TYR CG 1 1 19 1359 1 1 1 TYR CZ C -3.578 3.232 -1.687 1.00 . A A . 1 TYR CZ 1 1 19 1360 1 1 1 TYR H1 H 2.013 3.472 2.637 1.00 . A A . 1 TYR H1 1 1 19 1361 1 1 1 TYR H2 H 0.699 4.483 3.083 1.00 . A A . 1 TYR H2 1 1 19 1362 1 1 1 TYR H3 H 1.938 5.082 2.057 1.00 . A A . 1 TYR H3 1 1 19 1363 1 1 1 TYR HA H 0.198 2.817 1.369 1.00 . A A . 1 TYR HA 1 1 19 1364 1 1 1 TYR HB2 H -0.956 5.068 1.809 1.00 . A A . 1 TYR HB2 1 1 19 1365 1 1 1 TYR HB3 H -0.084 5.656 0.397 1.00 . A A . 1 TYR HB3 1 1 19 1366 1 1 1 TYR HD1 H -2.309 2.825 1.404 1.00 . A A . 1 TYR HD1 1 1 19 1367 1 1 1 TYR HD2 H -1.112 5.522 -1.660 1.00 . A A . 1 TYR HD2 1 1 19 1368 1 1 1 TYR HE1 H -4.072 1.934 -0.062 1.00 . A A . 1 TYR HE1 1 1 19 1369 1 1 1 TYR HE2 H -2.868 4.640 -3.134 1.00 . A A . 1 TYR HE2 1 1 19 1370 1 1 1 TYR HH H -5.269 3.382 -2.589 1.00 . A A . 1 TYR HH 1 1 19 1371 1 1 1 TYR N N 1.388 4.247 2.339 1.00 . A A . 1 TYR N 1 1 19 1372 1 1 1 TYR O O 2.719 3.978 -0.013 1.00 . A A . 1 TYR O 1 1 19 1373 1 1 1 TYR OH O -4.563 2.736 -2.509 1.00 . A A . 1 TYR OH 1 1 19 1374 1 1 2 GLY C C 1.282 1.841 -3.209 1.00 . A A . 2 GLY C 1 1 19 1375 1 1 2 GLY CA C 1.717 3.051 -2.403 1.00 . A A . 2 GLY CA 1 1 19 1376 1 1 2 GLY H H 0.010 2.973 -1.168 1.00 . A A . 2 GLY H 1 1 19 1377 1 1 2 GLY HA2 H 1.586 3.936 -3.006 1.00 . A A . 2 GLY HA2 1 1 19 1378 1 1 2 GLY HA3 H 2.762 2.948 -2.154 1.00 . A A . 2 GLY HA3 1 1 19 1379 1 1 2 GLY N N 0.957 3.206 -1.181 1.00 . A A . 2 GLY N 1 1 19 1380 1 1 2 GLY O O 1.570 1.748 -4.402 1.00 . A A . 2 GLY O 1 1 19 1381 1 1 3 GLY C C 0.968 -1.495 -2.913 1.00 . A A . 3 GLY C 1 1 19 1382 1 1 3 GLY CA C 0.123 -0.281 -3.237 1.00 . A A . 3 GLY CA 1 1 19 1383 1 1 3 GLY H H 0.387 1.040 -1.607 1.00 . A A . 3 GLY H 1 1 19 1384 1 1 3 GLY HA2 H -0.896 -0.477 -2.942 1.00 . A A . 3 GLY HA2 1 1 19 1385 1 1 3 GLY HA3 H 0.153 -0.110 -4.303 1.00 . A A . 3 GLY HA3 1 1 19 1386 1 1 3 GLY N N 0.587 0.914 -2.557 1.00 . A A . 3 GLY N 1 1 19 1387 1 1 3 GLY O O 1.309 -2.279 -3.798 1.00 . A A . 3 GLY O 1 1 19 1388 1 1 4 PHE C C 1.232 -3.951 -0.777 1.00 . A A . 4 PHE C 1 1 19 1389 1 1 4 PHE CA C 2.114 -2.781 -1.195 1.00 . A A . 4 PHE CA 1 1 19 1390 1 1 4 PHE CB C 3.017 -2.369 -0.030 1.00 . A A . 4 PHE CB 1 1 19 1391 1 1 4 PHE CD1 C 1.637 -2.203 2.060 1.00 . A A . 4 PHE CD1 1 1 19 1392 1 1 4 PHE CD2 C 2.321 -0.185 0.991 1.00 . A A . 4 PHE CD2 1 1 19 1393 1 1 4 PHE CE1 C 0.987 -1.471 3.035 1.00 . A A . 4 PHE CE1 1 1 19 1394 1 1 4 PHE CE2 C 1.673 0.554 1.962 1.00 . A A . 4 PHE CE2 1 1 19 1395 1 1 4 PHE CG C 2.310 -1.569 1.028 1.00 . A A . 4 PHE CG 1 1 19 1396 1 1 4 PHE CZ C 1.005 -0.090 2.986 1.00 . A A . 4 PHE CZ 1 1 19 1397 1 1 4 PHE H H 1.001 -0.993 -0.978 1.00 . A A . 4 PHE H 1 1 19 1398 1 1 4 PHE HA H 2.733 -3.091 -2.025 1.00 . A A . 4 PHE HA 1 1 19 1399 1 1 4 PHE HB2 H 3.415 -3.256 0.437 1.00 . A A . 4 PHE HB2 1 1 19 1400 1 1 4 PHE HB3 H 3.831 -1.771 -0.411 1.00 . A A . 4 PHE HB3 1 1 19 1401 1 1 4 PHE HD1 H 1.622 -3.283 2.098 1.00 . A A . 4 PHE HD1 1 1 19 1402 1 1 4 PHE HD2 H 2.842 0.320 0.190 1.00 . A A . 4 PHE HD2 1 1 19 1403 1 1 4 PHE HE1 H 0.466 -1.976 3.834 1.00 . A A . 4 PHE HE1 1 1 19 1404 1 1 4 PHE HE2 H 1.690 1.633 1.922 1.00 . A A . 4 PHE HE2 1 1 19 1405 1 1 4 PHE HZ H 0.498 0.484 3.748 1.00 . A A . 4 PHE HZ 1 1 19 1406 1 1 4 PHE N N 1.305 -1.652 -1.637 1.00 . A A . 4 PHE N 1 1 19 1407 1 1 4 PHE O O 1.538 -5.109 -1.065 1.00 . A A . 4 PHE O 1 1 19 1408 1 1 5 MET C C -1.601 -5.232 -0.800 1.00 . A A . 5 MET C 1 1 19 1409 1 1 5 MET CA C -0.795 -4.664 0.364 1.00 . A A . 5 MET CA 1 1 19 1410 1 1 5 MET CB C -1.740 -4.085 1.419 1.00 . A A . 5 MET CB 1 1 19 1411 1 1 5 MET CE C -2.034 -1.138 2.855 1.00 . A A . 5 MET CE 1 1 19 1412 1 1 5 MET CG C -2.648 -2.988 0.886 1.00 . A A . 5 MET CG 1 1 19 1413 1 1 5 MET H H -0.051 -2.699 0.101 1.00 . A A . 5 MET H 1 1 19 1414 1 1 5 MET HA H -0.218 -5.460 0.810 1.00 . A A . 5 MET HA 1 1 19 1415 1 1 5 MET HB2 H -2.362 -4.881 1.804 1.00 . A A . 5 MET HB2 1 1 19 1416 1 1 5 MET HB3 H -1.153 -3.676 2.227 1.00 . A A . 5 MET HB3 1 1 19 1417 1 1 5 MET HE1 H -1.300 -0.997 2.074 1.00 . A A . 5 MET HE1 1 1 19 1418 1 1 5 MET HE2 H -1.591 -1.698 3.666 1.00 . A A . 5 MET HE2 1 1 19 1419 1 1 5 MET HE3 H -2.361 -0.176 3.218 1.00 . A A . 5 MET HE3 1 1 19 1420 1 1 5 MET HG2 H -2.059 -2.315 0.281 1.00 . A A . 5 MET HG2 1 1 19 1421 1 1 5 MET HG3 H -3.417 -3.440 0.277 1.00 . A A . 5 MET HG3 1 1 19 1422 1 1 5 MET N N 0.135 -3.640 -0.096 1.00 . A A . 5 MET N 1 1 19 1423 1 1 5 MET O O -1.744 -4.525 -1.819 1.00 . A A . 5 MET O 1 1 19 1424 1 1 5 MET OXT O -2.082 -6.378 -0.681 1.00 . A A . 5 MET OXT 1 1 19 1425 1 1 5 MET SD S -3.436 -2.039 2.201 1.00 . A A . 5 MET SD 1 1 20 1426 1 1 1 TYR C C 1.665 3.705 -0.148 1.00 . A A . 1 TYR C 1 1 20 1427 1 1 1 TYR CA C 0.825 3.782 1.123 1.00 . A A . 1 TYR CA 1 1 20 1428 1 1 1 TYR CB C -0.366 4.719 0.908 1.00 . A A . 1 TYR CB 1 1 20 1429 1 1 1 TYR CD1 C -2.308 3.123 0.660 1.00 . A A . 1 TYR CD1 1 1 20 1430 1 1 1 TYR CD2 C -1.730 4.497 -1.200 1.00 . A A . 1 TYR CD2 1 1 20 1431 1 1 1 TYR CE1 C -3.335 2.558 -0.073 1.00 . A A . 1 TYR CE1 1 1 20 1432 1 1 1 TYR CE2 C -2.752 3.936 -1.939 1.00 . A A . 1 TYR CE2 1 1 20 1433 1 1 1 TYR CG C -1.491 4.101 0.109 1.00 . A A . 1 TYR CG 1 1 20 1434 1 1 1 TYR CZ C -3.553 2.967 -1.371 1.00 . A A . 1 TYR CZ 1 1 20 1435 1 1 1 TYR H1 H 2.008 5.219 1.998 1.00 . A A . 1 TYR H1 1 1 20 1436 1 1 1 TYR H2 H 2.389 3.607 2.448 1.00 . A A . 1 TYR H2 1 1 20 1437 1 1 1 TYR H3 H 0.991 4.372 3.087 1.00 . A A . 1 TYR H3 1 1 20 1438 1 1 1 TYR HA H 0.461 2.795 1.367 1.00 . A A . 1 TYR HA 1 1 20 1439 1 1 1 TYR HB2 H -0.763 5.012 1.868 1.00 . A A . 1 TYR HB2 1 1 20 1440 1 1 1 TYR HB3 H -0.029 5.596 0.380 1.00 . A A . 1 TYR HB3 1 1 20 1441 1 1 1 TYR HD1 H -2.135 2.805 1.677 1.00 . A A . 1 TYR HD1 1 1 20 1442 1 1 1 TYR HD2 H -1.102 5.256 -1.642 1.00 . A A . 1 TYR HD2 1 1 20 1443 1 1 1 TYR HE1 H -3.961 1.799 0.373 1.00 . A A . 1 TYR HE1 1 1 20 1444 1 1 1 TYR HE2 H -2.920 4.256 -2.957 1.00 . A A . 1 TYR HE2 1 1 20 1445 1 1 1 TYR HH H -5.405 2.823 -1.866 1.00 . A A . 1 TYR HH 1 1 20 1446 1 1 1 TYR N N 1.626 4.291 2.267 1.00 . A A . 1 TYR N 1 1 20 1447 1 1 1 TYR O O 2.830 4.102 -0.159 1.00 . A A . 1 TYR O 1 1 20 1448 1 1 1 TYR OH O -4.574 2.406 -2.104 1.00 . A A . 1 TYR OH 1 1 20 1449 1 1 2 GLY C C 1.312 1.870 -3.283 1.00 . A A . 2 GLY C 1 1 20 1450 1 1 2 GLY CA C 1.762 3.075 -2.478 1.00 . A A . 2 GLY CA 1 1 20 1451 1 1 2 GLY H H 0.136 2.898 -1.147 1.00 . A A . 2 GLY H 1 1 20 1452 1 1 2 GLY HA2 H 1.579 3.966 -3.057 1.00 . A A . 2 GLY HA2 1 1 20 1453 1 1 2 GLY HA3 H 2.820 2.992 -2.284 1.00 . A A . 2 GLY HA3 1 1 20 1454 1 1 2 GLY N N 1.063 3.193 -1.216 1.00 . A A . 2 GLY N 1 1 20 1455 1 1 2 GLY O O 1.508 1.822 -4.498 1.00 . A A . 2 GLY O 1 1 20 1456 1 1 3 GLY C C 1.050 -1.527 -2.929 1.00 . A A . 3 GLY C 1 1 20 1457 1 1 3 GLY CA C 0.241 -0.297 -3.290 1.00 . A A . 3 GLY CA 1 1 20 1458 1 1 3 GLY H H 0.579 0.988 -1.642 1.00 . A A . 3 GLY H 1 1 20 1459 1 1 3 GLY HA2 H -0.791 -0.469 -3.021 1.00 . A A . 3 GLY HA2 1 1 20 1460 1 1 3 GLY HA3 H 0.303 -0.138 -4.356 1.00 . A A . 3 GLY HA3 1 1 20 1461 1 1 3 GLY N N 0.709 0.896 -2.608 1.00 . A A . 3 GLY N 1 1 20 1462 1 1 3 GLY O O 1.360 -2.349 -3.791 1.00 . A A . 3 GLY O 1 1 20 1463 1 1 4 PHE C C 1.250 -3.931 -0.750 1.00 . A A . 4 PHE C 1 1 20 1464 1 1 4 PHE CA C 2.168 -2.792 -1.178 1.00 . A A . 4 PHE CA 1 1 20 1465 1 1 4 PHE CB C 3.066 -2.380 -0.009 1.00 . A A . 4 PHE CB 1 1 20 1466 1 1 4 PHE CD1 C 1.567 -2.069 1.980 1.00 . A A . 4 PHE CD1 1 1 20 1467 1 1 4 PHE CD2 C 2.543 -0.136 0.980 1.00 . A A . 4 PHE CD2 1 1 20 1468 1 1 4 PHE CE1 C 0.934 -1.270 2.913 1.00 . A A . 4 PHE CE1 1 1 20 1469 1 1 4 PHE CE2 C 1.912 0.667 1.909 1.00 . A A . 4 PHE CE2 1 1 20 1470 1 1 4 PHE CG C 2.377 -1.511 1.005 1.00 . A A . 4 PHE CG 1 1 20 1471 1 1 4 PHE CZ C 1.107 0.101 2.878 1.00 . A A . 4 PHE CZ 1 1 20 1472 1 1 4 PHE H H 1.113 -0.962 -1.012 1.00 . A A . 4 PHE H 1 1 20 1473 1 1 4 PHE HA H 2.788 -3.132 -1.993 1.00 . A A . 4 PHE HA 1 1 20 1474 1 1 4 PHE HB2 H 3.412 -3.268 0.499 1.00 . A A . 4 PHE HB2 1 1 20 1475 1 1 4 PHE HB3 H 3.915 -1.836 -0.393 1.00 . A A . 4 PHE HB3 1 1 20 1476 1 1 4 PHE HD1 H 1.432 -3.139 2.009 1.00 . A A . 4 PHE HD1 1 1 20 1477 1 1 4 PHE HD2 H 3.173 0.308 0.223 1.00 . A A . 4 PHE HD2 1 1 20 1478 1 1 4 PHE HE1 H 0.304 -1.715 3.670 1.00 . A A . 4 PHE HE1 1 1 20 1479 1 1 4 PHE HE2 H 2.050 1.738 1.880 1.00 . A A . 4 PHE HE2 1 1 20 1480 1 1 4 PHE HZ H 0.613 0.727 3.606 1.00 . A A . 4 PHE HZ 1 1 20 1481 1 1 4 PHE N N 1.391 -1.652 -1.652 1.00 . A A . 4 PHE N 1 1 20 1482 1 1 4 PHE O O 1.534 -5.101 -1.007 1.00 . A A . 4 PHE O 1 1 20 1483 1 1 5 MET C C -1.626 -5.127 -0.793 1.00 . A A . 5 MET C 1 1 20 1484 1 1 5 MET CA C -0.812 -4.571 0.371 1.00 . A A . 5 MET CA 1 1 20 1485 1 1 5 MET CB C -1.746 -3.956 1.414 1.00 . A A . 5 MET CB 1 1 20 1486 1 1 5 MET CE C -3.737 -0.778 2.343 1.00 . A A . 5 MET CE 1 1 20 1487 1 1 5 MET CG C -2.620 -2.839 0.866 1.00 . A A . 5 MET CG 1 1 20 1488 1 1 5 MET H H -0.018 -2.631 0.079 1.00 . A A . 5 MET H 1 1 20 1489 1 1 5 MET HA H -0.261 -5.380 0.828 1.00 . A A . 5 MET HA 1 1 20 1490 1 1 5 MET HB2 H -2.391 -4.729 1.805 1.00 . A A . 5 MET HB2 1 1 20 1491 1 1 5 MET HB3 H -1.151 -3.554 2.221 1.00 . A A . 5 MET HB3 1 1 20 1492 1 1 5 MET HE1 H -2.753 -0.685 2.778 1.00 . A A . 5 MET HE1 1 1 20 1493 1 1 5 MET HE2 H -4.479 -0.447 3.055 1.00 . A A . 5 MET HE2 1 1 20 1494 1 1 5 MET HE3 H -3.796 -0.169 1.453 1.00 . A A . 5 MET HE3 1 1 20 1495 1 1 5 MET HG2 H -2.024 -1.942 0.782 1.00 . A A . 5 MET HG2 1 1 20 1496 1 1 5 MET HG3 H -2.975 -3.126 -0.114 1.00 . A A . 5 MET HG3 1 1 20 1497 1 1 5 MET N N 0.150 -3.580 -0.094 1.00 . A A . 5 MET N 1 1 20 1498 1 1 5 MET O O -1.581 -4.526 -1.887 1.00 . A A . 5 MET O 1 1 20 1499 1 1 5 MET OXT O -2.302 -6.161 -0.602 1.00 . A A . 5 MET OXT 1 1 20 1500 1 1 5 MET SD S -4.043 -2.491 1.917 1.00 . A A . 5 MET SD 1 1 21 1501 1 1 1 TYR C C 1.298 3.260 0.317 1.00 . A A . 1 TYR C 1 1 21 1502 1 1 1 TYR CA C 0.252 3.160 1.422 1.00 . A A . 1 TYR CA 1 1 21 1503 1 1 1 TYR CB C -0.928 4.084 1.115 1.00 . A A . 1 TYR CB 1 1 21 1504 1 1 1 TYR CD1 C -2.745 2.498 0.363 1.00 . A A . 1 TYR CD1 1 1 21 1505 1 1 1 TYR CD2 C -1.893 4.068 -1.216 1.00 . A A . 1 TYR CD2 1 1 21 1506 1 1 1 TYR CE1 C -3.608 1.998 -0.594 1.00 . A A . 1 TYR CE1 1 1 21 1507 1 1 1 TYR CE2 C -2.752 3.574 -2.178 1.00 . A A . 1 TYR CE2 1 1 21 1508 1 1 1 TYR CG C -1.874 3.540 0.068 1.00 . A A . 1 TYR CG 1 1 21 1509 1 1 1 TYR CZ C -3.607 2.539 -1.864 1.00 . A A . 1 TYR CZ 1 1 21 1510 1 1 1 TYR H1 H 1.786 3.147 2.794 1.00 . A A . 1 TYR H1 1 1 21 1511 1 1 1 TYR H2 H 0.212 3.142 3.480 1.00 . A A . 1 TYR H2 1 1 21 1512 1 1 1 TYR H3 H 0.846 4.579 2.789 1.00 . A A . 1 TYR H3 1 1 21 1513 1 1 1 TYR HA H -0.100 2.140 1.483 1.00 . A A . 1 TYR HA 1 1 21 1514 1 1 1 TYR HB2 H -1.493 4.248 2.019 1.00 . A A . 1 TYR HB2 1 1 21 1515 1 1 1 TYR HB3 H -0.548 5.029 0.757 1.00 . A A . 1 TYR HB3 1 1 21 1516 1 1 1 TYR HD1 H -2.742 2.076 1.357 1.00 . A A . 1 TYR HD1 1 1 21 1517 1 1 1 TYR HD2 H -1.221 4.877 -1.461 1.00 . A A . 1 TYR HD2 1 1 21 1518 1 1 1 TYR HE1 H -4.278 1.188 -0.346 1.00 . A A . 1 TYR HE1 1 1 21 1519 1 1 1 TYR HE2 H -2.749 3.998 -3.171 1.00 . A A . 1 TYR HE2 1 1 21 1520 1 1 1 TYR HH H -3.975 1.853 -3.622 1.00 . A A . 1 TYR HH 1 1 21 1521 1 1 1 TYR N N 0.826 3.541 2.740 1.00 . A A . 1 TYR N 1 1 21 1522 1 1 1 TYR O O 2.428 3.687 0.554 1.00 . A A . 1 TYR O 1 1 21 1523 1 1 1 TYR OH O -4.465 2.045 -2.819 1.00 . A A . 1 TYR OH 1 1 21 1524 1 1 2 GLY C C 1.538 1.821 -3.032 1.00 . A A . 2 GLY C 1 1 21 1525 1 1 2 GLY CA C 1.814 2.916 -2.019 1.00 . A A . 2 GLY CA 1 1 21 1526 1 1 2 GLY H H 0.001 2.538 -1.014 1.00 . A A . 2 GLY H 1 1 21 1527 1 1 2 GLY HA2 H 1.705 3.873 -2.504 1.00 . A A . 2 GLY HA2 1 1 21 1528 1 1 2 GLY HA3 H 2.827 2.816 -1.662 1.00 . A A . 2 GLY HA3 1 1 21 1529 1 1 2 GLY N N 0.910 2.865 -0.890 1.00 . A A . 2 GLY N 1 1 21 1530 1 1 2 GLY O O 1.957 1.914 -4.186 1.00 . A A . 2 GLY O 1 1 21 1531 1 1 3 GLY C C 1.125 -1.628 -3.054 1.00 . A A . 3 GLY C 1 1 21 1532 1 1 3 GLY CA C 0.504 -0.317 -3.492 1.00 . A A . 3 GLY CA 1 1 21 1533 1 1 3 GLY H H 0.517 0.762 -1.673 1.00 . A A . 3 GLY H 1 1 21 1534 1 1 3 GLY HA2 H -0.569 -0.436 -3.520 1.00 . A A . 3 GLY HA2 1 1 21 1535 1 1 3 GLY HA3 H 0.855 -0.078 -4.485 1.00 . A A . 3 GLY HA3 1 1 21 1536 1 1 3 GLY N N 0.827 0.783 -2.602 1.00 . A A . 3 GLY N 1 1 21 1537 1 1 3 GLY O O 1.209 -2.574 -3.837 1.00 . A A . 3 GLY O 1 1 21 1538 1 1 4 PHE C C 1.085 -3.859 -0.766 1.00 . A A . 4 PHE C 1 1 21 1539 1 1 4 PHE CA C 2.160 -2.902 -1.261 1.00 . A A . 4 PHE CA 1 1 21 1540 1 1 4 PHE CB C 3.123 -2.568 -0.120 1.00 . A A . 4 PHE CB 1 1 21 1541 1 1 4 PHE CD1 C 1.654 -1.788 1.759 1.00 . A A . 4 PHE CD1 1 1 21 1542 1 1 4 PHE CD2 C 3.130 -0.211 0.748 1.00 . A A . 4 PHE CD2 1 1 21 1543 1 1 4 PHE CE1 C 1.196 -0.811 2.622 1.00 . A A . 4 PHE CE1 1 1 21 1544 1 1 4 PHE CE2 C 2.676 0.771 1.608 1.00 . A A . 4 PHE CE2 1 1 21 1545 1 1 4 PHE CG C 2.624 -1.500 0.814 1.00 . A A . 4 PHE CG 1 1 21 1546 1 1 4 PHE CZ C 1.707 0.471 2.546 1.00 . A A . 4 PHE CZ 1 1 21 1547 1 1 4 PHE H H 1.454 -0.908 -1.218 1.00 . A A . 4 PHE H 1 1 21 1548 1 1 4 PHE HA H 2.710 -3.380 -2.059 1.00 . A A . 4 PHE HA 1 1 21 1549 1 1 4 PHE HB2 H 3.292 -3.458 0.463 1.00 . A A . 4 PHE HB2 1 1 21 1550 1 1 4 PHE HB3 H 4.061 -2.234 -0.538 1.00 . A A . 4 PHE HB3 1 1 21 1551 1 1 4 PHE HD1 H 1.253 -2.789 1.819 1.00 . A A . 4 PHE HD1 1 1 21 1552 1 1 4 PHE HD2 H 3.887 0.024 0.014 1.00 . A A . 4 PHE HD2 1 1 21 1553 1 1 4 PHE HE1 H 0.439 -1.049 3.354 1.00 . A A . 4 PHE HE1 1 1 21 1554 1 1 4 PHE HE2 H 3.079 1.772 1.548 1.00 . A A . 4 PHE HE2 1 1 21 1555 1 1 4 PHE HZ H 1.351 1.235 3.220 1.00 . A A . 4 PHE HZ 1 1 21 1556 1 1 4 PHE N N 1.554 -1.690 -1.798 1.00 . A A . 4 PHE N 1 1 21 1557 1 1 4 PHE O O 1.211 -5.077 -0.890 1.00 . A A . 4 PHE O 1 1 21 1558 1 1 5 MET C C -2.052 -4.458 -0.803 1.00 . A A . 5 MET C 1 1 21 1559 1 1 5 MET CA C -1.085 -4.080 0.314 1.00 . A A . 5 MET CA 1 1 21 1560 1 1 5 MET CB C -1.826 -3.302 1.402 1.00 . A A . 5 MET CB 1 1 21 1561 1 1 5 MET CE C -2.033 -0.401 3.172 1.00 . A A . 5 MET CE 1 1 21 1562 1 1 5 MET CG C -2.391 -1.975 0.923 1.00 . A A . 5 MET CG 1 1 21 1563 1 1 5 MET H H -0.009 -2.314 -0.141 1.00 . A A . 5 MET H 1 1 21 1564 1 1 5 MET HA H -0.678 -4.983 0.744 1.00 . A A . 5 MET HA 1 1 21 1565 1 1 5 MET HB2 H -2.643 -3.905 1.769 1.00 . A A . 5 MET HB2 1 1 21 1566 1 1 5 MET HB3 H -1.143 -3.104 2.216 1.00 . A A . 5 MET HB3 1 1 21 1567 1 1 5 MET HE1 H -1.291 0.028 2.514 1.00 . A A . 5 MET HE1 1 1 21 1568 1 1 5 MET HE2 H -1.574 -1.164 3.782 1.00 . A A . 5 MET HE2 1 1 21 1569 1 1 5 MET HE3 H -2.441 0.371 3.807 1.00 . A A . 5 MET HE3 1 1 21 1570 1 1 5 MET HG2 H -1.573 -1.337 0.624 1.00 . A A . 5 MET HG2 1 1 21 1571 1 1 5 MET HG3 H -3.032 -2.159 0.073 1.00 . A A . 5 MET HG3 1 1 21 1572 1 1 5 MET N N 0.026 -3.291 -0.204 1.00 . A A . 5 MET N 1 1 21 1573 1 1 5 MET O O -3.012 -5.209 -0.526 1.00 . A A . 5 MET O 1 1 21 1574 1 1 5 MET OXT O -1.842 -4.000 -1.945 1.00 . A A . 5 MET OXT 1 1 21 1575 1 1 5 MET SD S -3.346 -1.127 2.195 1.00 . A A . 5 MET SD 1 1 22 1576 1 1 1 TYR C C 1.754 3.835 -0.293 1.00 . A A . 1 TYR C 1 1 22 1577 1 1 1 TYR CA C 1.067 3.965 1.063 1.00 . A A . 1 TYR CA 1 1 22 1578 1 1 1 TYR CB C -0.174 4.851 0.937 1.00 . A A . 1 TYR CB 1 1 22 1579 1 1 1 TYR CD1 C -2.046 3.156 0.940 1.00 . A A . 1 TYR CD1 1 1 22 1580 1 1 1 TYR CD2 C -1.750 4.509 -1.001 1.00 . A A . 1 TYR CD2 1 1 22 1581 1 1 1 TYR CE1 C -3.115 2.520 0.337 1.00 . A A . 1 TYR CE1 1 1 22 1582 1 1 1 TYR CE2 C -2.817 3.878 -1.610 1.00 . A A . 1 TYR CE2 1 1 22 1583 1 1 1 TYR CG C -1.347 4.160 0.282 1.00 . A A . 1 TYR CG 1 1 22 1584 1 1 1 TYR CZ C -3.497 2.885 -0.937 1.00 . A A . 1 TYR CZ 1 1 22 1585 1 1 1 TYR H1 H 2.788 3.924 2.188 1.00 . A A . 1 TYR H1 1 1 22 1586 1 1 1 TYR H2 H 1.446 4.662 2.962 1.00 . A A . 1 TYR H2 1 1 22 1587 1 1 1 TYR H3 H 2.283 5.492 1.714 1.00 . A A . 1 TYR H3 1 1 22 1588 1 1 1 TYR HA H 0.770 2.985 1.404 1.00 . A A . 1 TYR HA 1 1 22 1589 1 1 1 TYR HB2 H -0.483 5.170 1.921 1.00 . A A . 1 TYR HB2 1 1 22 1590 1 1 1 TYR HB3 H 0.073 5.717 0.343 1.00 . A A . 1 TYR HB3 1 1 22 1591 1 1 1 TYR HD1 H -1.744 2.872 1.936 1.00 . A A . 1 TYR HD1 1 1 22 1592 1 1 1 TYR HD2 H -1.216 5.288 -1.524 1.00 . A A . 1 TYR HD2 1 1 22 1593 1 1 1 TYR HE1 H -3.647 1.742 0.865 1.00 . A A . 1 TYR HE1 1 1 22 1594 1 1 1 TYR HE2 H -3.113 4.163 -2.608 1.00 . A A . 1 TYR HE2 1 1 22 1595 1 1 1 TYR HH H -4.318 1.350 -1.751 1.00 . A A . 1 TYR HH 1 1 22 1596 1 1 1 TYR N N 1.978 4.565 2.073 1.00 . A A . 1 TYR N 1 1 22 1597 1 1 1 TYR O O 2.895 4.263 -0.465 1.00 . A A . 1 TYR O 1 1 22 1598 1 1 1 TYR OH O -4.560 2.254 -1.540 1.00 . A A . 1 TYR OH 1 1 22 1599 1 1 2 GLY C C 1.014 1.864 -3.288 1.00 . A A . 2 GLY C 1 1 22 1600 1 1 2 GLY CA C 1.593 3.072 -2.578 1.00 . A A . 2 GLY CA 1 1 22 1601 1 1 2 GLY H H 0.146 2.932 -1.054 1.00 . A A . 2 GLY H 1 1 22 1602 1 1 2 GLY HA2 H 1.372 3.954 -3.159 1.00 . A A . 2 GLY HA2 1 1 22 1603 1 1 2 GLY HA3 H 2.662 2.957 -2.504 1.00 . A A . 2 GLY HA3 1 1 22 1604 1 1 2 GLY N N 1.047 3.247 -1.250 1.00 . A A . 2 GLY N 1 1 22 1605 1 1 2 GLY O O 0.579 1.961 -4.436 1.00 . A A . 2 GLY O 1 1 22 1606 1 1 3 GLY C C 1.160 -1.741 -2.700 1.00 . A A . 3 GLY C 1 1 22 1607 1 1 3 GLY CA C 0.467 -0.487 -3.198 1.00 . A A . 3 GLY CA 1 1 22 1608 1 1 3 GLY H H 1.361 0.706 -1.693 1.00 . A A . 3 GLY H 1 1 22 1609 1 1 3 GLY HA2 H -0.585 -0.553 -2.961 1.00 . A A . 3 GLY HA2 1 1 22 1610 1 1 3 GLY HA3 H 0.580 -0.428 -4.270 1.00 . A A . 3 GLY HA3 1 1 22 1611 1 1 3 GLY N N 1.004 0.725 -2.605 1.00 . A A . 3 GLY N 1 1 22 1612 1 1 3 GLY O O 1.457 -2.643 -3.483 1.00 . A A . 3 GLY O 1 1 22 1613 1 1 4 PHE C C 1.083 -4.089 -0.564 1.00 . A A . 4 PHE C 1 1 22 1614 1 1 4 PHE CA C 2.077 -2.959 -0.805 1.00 . A A . 4 PHE CA 1 1 22 1615 1 1 4 PHE CB C 2.766 -2.585 0.511 1.00 . A A . 4 PHE CB 1 1 22 1616 1 1 4 PHE CD1 C 1.019 -1.729 2.099 1.00 . A A . 4 PHE CD1 1 1 22 1617 1 1 4 PHE CD2 C 2.564 -0.172 1.164 1.00 . A A . 4 PHE CD2 1 1 22 1618 1 1 4 PHE CE1 C 0.410 -0.706 2.803 1.00 . A A . 4 PHE CE1 1 1 22 1619 1 1 4 PHE CE2 C 1.959 0.855 1.864 1.00 . A A . 4 PHE CE2 1 1 22 1620 1 1 4 PHE CG C 2.100 -1.472 1.273 1.00 . A A . 4 PHE CG 1 1 22 1621 1 1 4 PHE CZ C 0.881 0.587 2.686 1.00 . A A . 4 PHE CZ 1 1 22 1622 1 1 4 PHE H H 1.157 -1.053 -0.822 1.00 . A A . 4 PHE H 1 1 22 1623 1 1 4 PHE HA H 2.824 -3.303 -1.504 1.00 . A A . 4 PHE HA 1 1 22 1624 1 1 4 PHE HB2 H 2.784 -3.451 1.151 1.00 . A A . 4 PHE HB2 1 1 22 1625 1 1 4 PHE HB3 H 3.778 -2.280 0.298 1.00 . A A . 4 PHE HB3 1 1 22 1626 1 1 4 PHE HD1 H 0.652 -2.739 2.192 1.00 . A A . 4 PHE HD1 1 1 22 1627 1 1 4 PHE HD2 H 3.407 0.039 0.522 1.00 . A A . 4 PHE HD2 1 1 22 1628 1 1 4 PHE HE1 H -0.433 -0.919 3.444 1.00 . A A . 4 PHE HE1 1 1 22 1629 1 1 4 PHE HE2 H 2.331 1.864 1.770 1.00 . A A . 4 PHE HE2 1 1 22 1630 1 1 4 PHE HZ H 0.408 1.388 3.234 1.00 . A A . 4 PHE HZ 1 1 22 1631 1 1 4 PHE N N 1.417 -1.801 -1.397 1.00 . A A . 4 PHE N 1 1 22 1632 1 1 4 PHE O O 1.431 -5.267 -0.652 1.00 . A A . 4 PHE O 1 1 22 1633 1 1 5 MET C C -1.552 -5.468 -1.279 1.00 . A A . 5 MET C 1 1 22 1634 1 1 5 MET CA C -1.204 -4.705 -0.005 1.00 . A A . 5 MET CA 1 1 22 1635 1 1 5 MET CB C -2.456 -4.018 0.544 1.00 . A A . 5 MET CB 1 1 22 1636 1 1 5 MET CE C -3.941 -0.955 1.156 1.00 . A A . 5 MET CE 1 1 22 1637 1 1 5 MET CG C -2.171 -3.025 1.658 1.00 . A A . 5 MET CG 1 1 22 1638 1 1 5 MET H H -0.368 -2.770 -0.203 1.00 . A A . 5 MET H 1 1 22 1639 1 1 5 MET HA H -0.833 -5.403 0.730 1.00 . A A . 5 MET HA 1 1 22 1640 1 1 5 MET HB2 H -2.946 -3.493 -0.262 1.00 . A A . 5 MET HB2 1 1 22 1641 1 1 5 MET HB3 H -3.126 -4.773 0.928 1.00 . A A . 5 MET HB3 1 1 22 1642 1 1 5 MET HE1 H -4.303 -0.737 0.161 1.00 . A A . 5 MET HE1 1 1 22 1643 1 1 5 MET HE2 H -4.109 -0.100 1.795 1.00 . A A . 5 MET HE2 1 1 22 1644 1 1 5 MET HE3 H -4.468 -1.810 1.552 1.00 . A A . 5 MET HE3 1 1 22 1645 1 1 5 MET HG2 H -2.921 -3.139 2.425 1.00 . A A . 5 MET HG2 1 1 22 1646 1 1 5 MET HG3 H -1.198 -3.241 2.073 1.00 . A A . 5 MET HG3 1 1 22 1647 1 1 5 MET N N -0.156 -3.723 -0.260 1.00 . A A . 5 MET N 1 1 22 1648 1 1 5 MET O O -2.653 -6.055 -1.334 1.00 . A A . 5 MET O 1 1 22 1649 1 1 5 MET OXT O -0.721 -5.472 -2.212 1.00 . A A . 5 MET OXT 1 1 22 1650 1 1 5 MET SD S -2.190 -1.315 1.087 1.00 . A A . 5 MET SD 1 1 23 1651 1 1 1 TYR C C 1.417 3.404 0.161 1.00 . A A . 1 TYR C 1 1 23 1652 1 1 1 TYR CA C 0.410 3.392 1.307 1.00 . A A . 1 TYR CA 1 1 23 1653 1 1 1 TYR CB C -0.723 4.380 1.020 1.00 . A A . 1 TYR CB 1 1 23 1654 1 1 1 TYR CD1 C -2.625 2.860 0.349 1.00 . A A . 1 TYR CD1 1 1 23 1655 1 1 1 TYR CD2 C -1.792 4.405 -1.264 1.00 . A A . 1 TYR CD2 1 1 23 1656 1 1 1 TYR CE1 C -3.546 2.393 -0.570 1.00 . A A . 1 TYR CE1 1 1 23 1657 1 1 1 TYR CE2 C -2.709 3.944 -2.187 1.00 . A A . 1 TYR CE2 1 1 23 1658 1 1 1 TYR CG C -1.734 3.873 0.017 1.00 . A A . 1 TYR CG 1 1 23 1659 1 1 1 TYR CZ C -3.584 2.938 -1.836 1.00 . A A . 1 TYR CZ 1 1 23 1660 1 1 1 TYR H1 H 1.573 2.941 2.944 1.00 . A A . 1 TYR H1 1 1 23 1661 1 1 1 TYR H2 H 0.300 4.050 3.255 1.00 . A A . 1 TYR H2 1 1 23 1662 1 1 1 TYR H3 H 1.699 4.563 2.404 1.00 . A A . 1 TYR H3 1 1 23 1663 1 1 1 TYR HA H -0.001 2.399 1.407 1.00 . A A . 1 TYR HA 1 1 23 1664 1 1 1 TYR HB2 H -1.247 4.595 1.939 1.00 . A A . 1 TYR HB2 1 1 23 1665 1 1 1 TYR HB3 H -0.300 5.294 0.630 1.00 . A A . 1 TYR HB3 1 1 23 1666 1 1 1 TYR HD1 H -2.592 2.435 1.341 1.00 . A A . 1 TYR HD1 1 1 23 1667 1 1 1 TYR HD2 H -1.105 5.193 -1.536 1.00 . A A . 1 TYR HD2 1 1 23 1668 1 1 1 TYR HE1 H -4.231 1.605 -0.294 1.00 . A A . 1 TYR HE1 1 1 23 1669 1 1 1 TYR HE2 H -2.736 4.371 -3.179 1.00 . A A . 1 TYR HE2 1 1 23 1670 1 1 1 TYR HH H -4.084 2.411 -3.617 1.00 . A A . 1 TYR HH 1 1 23 1671 1 1 1 TYR N N 1.053 3.770 2.594 1.00 . A A . 1 TYR N 1 1 23 1672 1 1 1 TYR O O 2.580 3.761 0.347 1.00 . A A . 1 TYR O 1 1 23 1673 1 1 1 TYR OH O -4.500 2.475 -2.754 1.00 . A A . 1 TYR OH 1 1 23 1674 1 1 2 GLY C C 1.476 1.857 -3.137 1.00 . A A . 2 GLY C 1 1 23 1675 1 1 2 GLY CA C 1.821 2.986 -2.184 1.00 . A A . 2 GLY CA 1 1 23 1676 1 1 2 GLY H H 0.025 2.744 -1.108 1.00 . A A . 2 GLY H 1 1 23 1677 1 1 2 GLY HA2 H 1.724 3.924 -2.708 1.00 . A A . 2 GLY HA2 1 1 23 1678 1 1 2 GLY HA3 H 2.843 2.869 -1.858 1.00 . A A . 2 GLY HA3 1 1 23 1679 1 1 2 GLY N N 0.958 3.014 -1.022 1.00 . A A . 2 GLY N 1 1 23 1680 1 1 2 GLY O O 1.816 1.908 -4.319 1.00 . A A . 2 GLY O 1 1 23 1681 1 1 3 GLY C C 1.089 -1.582 -3.028 1.00 . A A . 3 GLY C 1 1 23 1682 1 1 3 GLY CA C 0.414 -0.294 -3.451 1.00 . A A . 3 GLY CA 1 1 23 1683 1 1 3 GLY H H 0.550 0.850 -1.674 1.00 . A A . 3 GLY H 1 1 23 1684 1 1 3 GLY HA2 H -0.656 -0.425 -3.384 1.00 . A A . 3 GLY HA2 1 1 23 1685 1 1 3 GLY HA3 H 0.678 -0.080 -4.475 1.00 . A A . 3 GLY HA3 1 1 23 1686 1 1 3 GLY N N 0.796 0.836 -2.622 1.00 . A A . 3 GLY N 1 1 23 1687 1 1 3 GLY O O 1.296 -2.480 -3.846 1.00 . A A . 3 GLY O 1 1 23 1688 1 1 4 PHE C C 1.052 -3.912 -0.802 1.00 . A A . 4 PHE C 1 1 23 1689 1 1 4 PHE CA C 2.084 -2.871 -1.221 1.00 . A A . 4 PHE CA 1 1 23 1690 1 1 4 PHE CB C 2.978 -2.519 -0.031 1.00 . A A . 4 PHE CB 1 1 23 1691 1 1 4 PHE CD1 C 1.428 -1.883 1.838 1.00 . A A . 4 PHE CD1 1 1 23 1692 1 1 4 PHE CD2 C 2.777 -0.180 0.856 1.00 . A A . 4 PHE CD2 1 1 23 1693 1 1 4 PHE CE1 C 0.881 -0.955 2.703 1.00 . A A . 4 PHE CE1 1 1 23 1694 1 1 4 PHE CE2 C 2.234 0.752 1.717 1.00 . A A . 4 PHE CE2 1 1 23 1695 1 1 4 PHE CG C 2.381 -1.507 0.906 1.00 . A A . 4 PHE CG 1 1 23 1696 1 1 4 PHE CZ C 1.284 0.365 2.643 1.00 . A A . 4 PHE CZ 1 1 23 1697 1 1 4 PHE H H 1.238 -0.932 -1.144 1.00 . A A . 4 PHE H 1 1 23 1698 1 1 4 PHE HA H 2.695 -3.288 -2.008 1.00 . A A . 4 PHE HA 1 1 23 1699 1 1 4 PHE HB2 H 3.174 -3.415 0.535 1.00 . A A . 4 PHE HB2 1 1 23 1700 1 1 4 PHE HB3 H 3.911 -2.120 -0.400 1.00 . A A . 4 PHE HB3 1 1 23 1701 1 1 4 PHE HD1 H 1.113 -2.915 1.886 1.00 . A A . 4 PHE HD1 1 1 23 1702 1 1 4 PHE HD2 H 3.520 0.123 0.133 1.00 . A A . 4 PHE HD2 1 1 23 1703 1 1 4 PHE HE1 H 0.138 -1.261 3.425 1.00 . A A . 4 PHE HE1 1 1 23 1704 1 1 4 PHE HE2 H 2.552 1.783 1.669 1.00 . A A . 4 PHE HE2 1 1 23 1705 1 1 4 PHE HZ H 0.858 1.092 3.318 1.00 . A A . 4 PHE HZ 1 1 23 1706 1 1 4 PHE N N 1.432 -1.678 -1.748 1.00 . A A . 4 PHE N 1 1 23 1707 1 1 4 PHE O O 1.255 -5.113 -0.980 1.00 . A A . 4 PHE O 1 1 23 1708 1 1 5 MET C C -1.805 -4.999 -0.987 1.00 . A A . 5 MET C 1 1 23 1709 1 1 5 MET CA C -1.126 -4.325 0.202 1.00 . A A . 5 MET CA 1 1 23 1710 1 1 5 MET CB C -2.160 -3.543 1.016 1.00 . A A . 5 MET CB 1 1 23 1711 1 1 5 MET CE C -2.753 -0.212 2.811 1.00 . A A . 5 MET CE 1 1 23 1712 1 1 5 MET CG C -1.546 -2.575 2.013 1.00 . A A . 5 MET CG 1 1 23 1713 1 1 5 MET H H -0.156 -2.471 -0.132 1.00 . A A . 5 MET H 1 1 23 1714 1 1 5 MET HA H -0.686 -5.085 0.830 1.00 . A A . 5 MET HA 1 1 23 1715 1 1 5 MET HB2 H -2.784 -2.981 0.338 1.00 . A A . 5 MET HB2 1 1 23 1716 1 1 5 MET HB3 H -2.776 -4.245 1.560 1.00 . A A . 5 MET HB3 1 1 23 1717 1 1 5 MET HE1 H -3.614 0.257 3.265 1.00 . A A . 5 MET HE1 1 1 23 1718 1 1 5 MET HE2 H -2.799 -0.088 1.740 1.00 . A A . 5 MET HE2 1 1 23 1719 1 1 5 MET HE3 H -1.851 0.248 3.189 1.00 . A A . 5 MET HE3 1 1 23 1720 1 1 5 MET HG2 H -0.755 -3.081 2.546 1.00 . A A . 5 MET HG2 1 1 23 1721 1 1 5 MET HG3 H -1.134 -1.736 1.472 1.00 . A A . 5 MET HG3 1 1 23 1722 1 1 5 MET N N -0.056 -3.439 -0.245 1.00 . A A . 5 MET N 1 1 23 1723 1 1 5 MET O O -1.211 -4.998 -2.084 1.00 . A A . 5 MET O 1 1 23 1724 1 1 5 MET OXT O -2.925 -5.522 -0.808 1.00 . A A . 5 MET OXT 1 1 23 1725 1 1 5 MET SD S -2.745 -1.958 3.211 1.00 . A A . 5 MET SD 1 1 24 1726 1 1 1 TYR C C 1.281 3.284 0.339 1.00 . A A . 1 TYR C 1 1 24 1727 1 1 1 TYR CA C 0.240 3.149 1.447 1.00 . A A . 1 TYR CA 1 1 24 1728 1 1 1 TYR CB C -0.988 4.000 1.119 1.00 . A A . 1 TYR CB 1 1 24 1729 1 1 1 TYR CD1 C -2.670 2.284 0.337 1.00 . A A . 1 TYR CD1 1 1 24 1730 1 1 1 TYR CD2 C -1.936 3.934 -1.217 1.00 . A A . 1 TYR CD2 1 1 24 1731 1 1 1 TYR CE1 C -3.484 1.728 -0.632 1.00 . A A . 1 TYR CE1 1 1 24 1732 1 1 1 TYR CE2 C -2.746 3.385 -2.191 1.00 . A A . 1 TYR CE2 1 1 24 1733 1 1 1 TYR CG C -1.884 3.395 0.062 1.00 . A A . 1 TYR CG 1 1 24 1734 1 1 1 TYR CZ C -3.519 2.283 -1.894 1.00 . A A . 1 TYR CZ 1 1 24 1735 1 1 1 TYR H1 H 0.115 3.299 3.495 1.00 . A A . 1 TYR H1 1 1 24 1736 1 1 1 TYR H2 H 0.887 4.625 2.726 1.00 . A A . 1 TYR H2 1 1 24 1737 1 1 1 TYR H3 H 1.709 3.127 2.887 1.00 . A A . 1 TYR H3 1 1 24 1738 1 1 1 TYR HA H -0.056 2.113 1.527 1.00 . A A . 1 TYR HA 1 1 24 1739 1 1 1 TYR HB2 H -1.576 4.132 2.014 1.00 . A A . 1 TYR HB2 1 1 24 1740 1 1 1 TYR HB3 H -0.661 4.964 0.762 1.00 . A A . 1 TYR HB3 1 1 24 1741 1 1 1 TYR HD1 H -2.641 1.852 1.327 1.00 . A A . 1 TYR HD1 1 1 24 1742 1 1 1 TYR HD2 H -1.331 4.799 -1.447 1.00 . A A . 1 TYR HD2 1 1 24 1743 1 1 1 TYR HE1 H -4.089 0.864 -0.398 1.00 . A A . 1 TYR HE1 1 1 24 1744 1 1 1 TYR HE2 H -2.770 3.819 -3.180 1.00 . A A . 1 TYR HE2 1 1 24 1745 1 1 1 TYR HH H -5.150 1.440 -2.465 1.00 . A A . 1 TYR HH 1 1 24 1746 1 1 1 TYR N N 0.787 3.590 2.756 1.00 . A A . 1 TYR N 1 1 24 1747 1 1 1 TYR O O 2.389 3.767 0.568 1.00 . A A . 1 TYR O 1 1 24 1748 1 1 1 TYR OH O -4.327 1.731 -2.862 1.00 . A A . 1 TYR OH 1 1 24 1749 1 1 2 GLY C C 1.540 1.851 -3.022 1.00 . A A . 2 GLY C 1 1 24 1750 1 1 2 GLY CA C 1.810 2.931 -1.992 1.00 . A A . 2 GLY CA 1 1 24 1751 1 1 2 GLY H H 0.018 2.482 -0.980 1.00 . A A . 2 GLY H 1 1 24 1752 1 1 2 GLY HA2 H 1.691 3.895 -2.460 1.00 . A A . 2 GLY HA2 1 1 24 1753 1 1 2 GLY HA3 H 2.825 2.834 -1.640 1.00 . A A . 2 GLY HA3 1 1 24 1754 1 1 2 GLY N N 0.911 2.854 -0.861 1.00 . A A . 2 GLY N 1 1 24 1755 1 1 2 GLY O O 1.938 1.976 -4.181 1.00 . A A . 2 GLY O 1 1 24 1756 1 1 3 GLY C C 1.101 -1.634 -3.047 1.00 . A A . 3 GLY C 1 1 24 1757 1 1 3 GLY CA C 0.544 -0.300 -3.510 1.00 . A A . 3 GLY CA 1 1 24 1758 1 1 3 GLY H H 0.565 0.742 -1.669 1.00 . A A . 3 GLY H 1 1 24 1759 1 1 3 GLY HA2 H -0.529 -0.385 -3.590 1.00 . A A . 3 GLY HA2 1 1 24 1760 1 1 3 GLY HA3 H 0.950 -0.072 -4.484 1.00 . A A . 3 GLY HA3 1 1 24 1761 1 1 3 GLY N N 0.859 0.788 -2.603 1.00 . A A . 3 GLY N 1 1 24 1762 1 1 3 GLY O O 1.025 -2.627 -3.770 1.00 . A A . 3 GLY O 1 1 24 1763 1 1 4 PHE C C 1.108 -3.836 -0.847 1.00 . A A . 4 PHE C 1 1 24 1764 1 1 4 PHE CA C 2.217 -2.893 -1.292 1.00 . A A . 4 PHE CA 1 1 24 1765 1 1 4 PHE CB C 3.144 -2.587 -0.111 1.00 . A A . 4 PHE CB 1 1 24 1766 1 1 4 PHE CD1 C 1.708 -1.840 1.808 1.00 . A A . 4 PHE CD1 1 1 24 1767 1 1 4 PHE CD2 C 3.060 -0.215 0.705 1.00 . A A . 4 PHE CD2 1 1 24 1768 1 1 4 PHE CE1 C 1.235 -0.867 2.667 1.00 . A A . 4 PHE CE1 1 1 24 1769 1 1 4 PHE CE2 C 2.590 0.763 1.562 1.00 . A A . 4 PHE CE2 1 1 24 1770 1 1 4 PHE CG C 2.625 -1.526 0.818 1.00 . A A . 4 PHE CG 1 1 24 1771 1 1 4 PHE CZ C 1.676 0.436 2.545 1.00 . A A . 4 PHE CZ 1 1 24 1772 1 1 4 PHE H H 1.686 -0.844 -1.306 1.00 . A A . 4 PHE H 1 1 24 1773 1 1 4 PHE HA H 2.789 -3.372 -2.072 1.00 . A A . 4 PHE HA 1 1 24 1774 1 1 4 PHE HB2 H 3.279 -3.489 0.465 1.00 . A A . 4 PHE HB2 1 1 24 1775 1 1 4 PHE HB3 H 4.099 -2.261 -0.491 1.00 . A A . 4 PHE HB3 1 1 24 1776 1 1 4 PHE HD1 H 1.362 -2.858 1.905 1.00 . A A . 4 PHE HD1 1 1 24 1777 1 1 4 PHE HD2 H 3.775 0.042 -0.063 1.00 . A A . 4 PHE HD2 1 1 24 1778 1 1 4 PHE HE1 H 0.519 -1.125 3.435 1.00 . A A . 4 PHE HE1 1 1 24 1779 1 1 4 PHE HE2 H 2.936 1.781 1.464 1.00 . A A . 4 PHE HE2 1 1 24 1780 1 1 4 PHE HZ H 1.308 1.197 3.216 1.00 . A A . 4 PHE HZ 1 1 24 1781 1 1 4 PHE N N 1.656 -1.663 -1.840 1.00 . A A . 4 PHE N 1 1 24 1782 1 1 4 PHE O O 1.214 -5.053 -0.994 1.00 . A A . 4 PHE O 1 1 24 1783 1 1 5 MET C C -2.182 -4.115 -0.897 1.00 . A A . 5 MET C 1 1 24 1784 1 1 5 MET CA C -1.093 -4.040 0.169 1.00 . A A . 5 MET CA 1 1 24 1785 1 1 5 MET CB C -1.660 -3.430 1.453 1.00 . A A . 5 MET CB 1 1 24 1786 1 1 5 MET CE C -2.521 0.096 3.151 1.00 . A A . 5 MET CE 1 1 24 1787 1 1 5 MET CG C -1.869 -1.926 1.372 1.00 . A A . 5 MET CG 1 1 24 1788 1 1 5 MET H H 0.026 -2.284 -0.215 1.00 . A A . 5 MET H 1 1 24 1789 1 1 5 MET HA H -0.744 -5.040 0.380 1.00 . A A . 5 MET HA 1 1 24 1790 1 1 5 MET HB2 H -2.611 -3.893 1.668 1.00 . A A . 5 MET HB2 1 1 24 1791 1 1 5 MET HB3 H -0.977 -3.633 2.264 1.00 . A A . 5 MET HB3 1 1 24 1792 1 1 5 MET HE1 H -2.264 -0.121 4.178 1.00 . A A . 5 MET HE1 1 1 24 1793 1 1 5 MET HE2 H -3.235 0.907 3.124 1.00 . A A . 5 MET HE2 1 1 24 1794 1 1 5 MET HE3 H -1.631 0.381 2.610 1.00 . A A . 5 MET HE3 1 1 24 1795 1 1 5 MET HG2 H -0.967 -1.433 1.699 1.00 . A A . 5 MET HG2 1 1 24 1796 1 1 5 MET HG3 H -2.069 -1.658 0.344 1.00 . A A . 5 MET HG3 1 1 24 1797 1 1 5 MET N N 0.044 -3.259 -0.302 1.00 . A A . 5 MET N 1 1 24 1798 1 1 5 MET O O -3.071 -3.238 -0.895 1.00 . A A . 5 MET O 1 1 24 1799 1 1 5 MET OXT O -2.136 -5.049 -1.725 1.00 . A A . 5 MET OXT 1 1 24 1800 1 1 5 MET SD S -3.241 -1.359 2.394 1.00 . A A . 5 MET SD 1 1 25 1801 1 1 1 TYR C C 1.681 3.719 -0.135 1.00 . A A . 1 TYR C 1 1 25 1802 1 1 1 TYR CA C 0.826 3.785 1.127 1.00 . A A . 1 TYR CA 1 1 25 1803 1 1 1 TYR CB C -0.391 4.680 0.890 1.00 . A A . 1 TYR CB 1 1 25 1804 1 1 1 TYR CD1 C -2.303 3.045 0.651 1.00 . A A . 1 TYR CD1 1 1 25 1805 1 1 1 TYR CD2 C -1.708 4.370 -1.239 1.00 . A A . 1 TYR CD2 1 1 25 1806 1 1 1 TYR CE1 C -3.304 2.440 -0.084 1.00 . A A . 1 TYR CE1 1 1 25 1807 1 1 1 TYR CE2 C -2.706 3.769 -1.981 1.00 . A A . 1 TYR CE2 1 1 25 1808 1 1 1 TYR CG C -1.489 4.020 0.086 1.00 . A A . 1 TYR CG 1 1 25 1809 1 1 1 TYR CZ C -3.502 2.805 -1.399 1.00 . A A . 1 TYR CZ 1 1 25 1810 1 1 1 TYR H1 H 2.288 3.613 2.566 1.00 . A A . 1 TYR H1 1 1 25 1811 1 1 1 TYR H2 H 0.926 4.544 3.037 1.00 . A A . 1 TYR H2 1 1 25 1812 1 1 1 TYR H3 H 2.079 5.196 1.946 1.00 . A A . 1 TYR H3 1 1 25 1813 1 1 1 TYR HA H 0.493 2.788 1.381 1.00 . A A . 1 TYR HA 1 1 25 1814 1 1 1 TYR HB2 H -0.807 4.972 1.842 1.00 . A A . 1 TYR HB2 1 1 25 1815 1 1 1 TYR HB3 H -0.075 5.562 0.354 1.00 . A A . 1 TYR HB3 1 1 25 1816 1 1 1 TYR HD1 H -2.146 2.762 1.682 1.00 . A A . 1 TYR HD1 1 1 25 1817 1 1 1 TYR HD2 H -1.083 5.126 -1.692 1.00 . A A . 1 TYR HD2 1 1 25 1818 1 1 1 TYR HE1 H -3.927 1.684 0.372 1.00 . A A . 1 TYR HE1 1 1 25 1819 1 1 1 TYR HE2 H -2.858 4.056 -3.011 1.00 . A A . 1 TYR HE2 1 1 25 1820 1 1 1 TYR HH H -4.172 2.013 -3.018 1.00 . A A . 1 TYR HH 1 1 25 1821 1 1 1 TYR N N 1.600 4.333 2.272 1.00 . A A . 1 TYR N 1 1 25 1822 1 1 1 TYR O O 2.830 4.160 -0.143 1.00 . A A . 1 TYR O 1 1 25 1823 1 1 1 TYR OH O -4.497 2.204 -2.135 1.00 . A A . 1 TYR OH 1 1 25 1824 1 1 2 GLY C C 1.371 1.867 -3.276 1.00 . A A . 2 GLY C 1 1 25 1825 1 1 2 GLY CA C 1.820 3.059 -2.454 1.00 . A A . 2 GLY CA 1 1 25 1826 1 1 2 GLY H H 0.193 2.843 -1.134 1.00 . A A . 2 GLY H 1 1 25 1827 1 1 2 GLY HA2 H 1.649 3.959 -3.026 1.00 . A A . 2 GLY HA2 1 1 25 1828 1 1 2 GLY HA3 H 2.875 2.969 -2.250 1.00 . A A . 2 GLY HA3 1 1 25 1829 1 1 2 GLY N N 1.108 3.171 -1.200 1.00 . A A . 2 GLY N 1 1 25 1830 1 1 2 GLY O O 1.523 1.855 -4.498 1.00 . A A . 2 GLY O 1 1 25 1831 1 1 3 GLY C C 1.119 -1.570 -2.908 1.00 . A A . 3 GLY C 1 1 25 1832 1 1 3 GLY CA C 0.350 -0.325 -3.304 1.00 . A A . 3 GLY CA 1 1 25 1833 1 1 3 GLY H H 0.717 0.925 -1.635 1.00 . A A . 3 GLY H 1 1 25 1834 1 1 3 GLY HA2 H -0.696 -0.474 -3.079 1.00 . A A . 3 GLY HA2 1 1 25 1835 1 1 3 GLY HA3 H 0.458 -0.171 -4.367 1.00 . A A . 3 GLY HA3 1 1 25 1836 1 1 3 GLY N N 0.815 0.861 -2.607 1.00 . A A . 3 GLY N 1 1 25 1837 1 1 3 GLY O O 1.409 -2.421 -3.749 1.00 . A A . 3 GLY O 1 1 25 1838 1 1 4 PHE C C 1.241 -3.970 -0.764 1.00 . A A . 4 PHE C 1 1 25 1839 1 1 4 PHE CA C 2.187 -2.830 -1.121 1.00 . A A . 4 PHE CA 1 1 25 1840 1 1 4 PHE CB C 3.024 -2.441 0.101 1.00 . A A . 4 PHE CB 1 1 25 1841 1 1 4 PHE CD1 C 1.348 -1.968 1.910 1.00 . A A . 4 PHE CD1 1 1 25 1842 1 1 4 PHE CD2 C 2.654 -0.158 1.070 1.00 . A A . 4 PHE CD2 1 1 25 1843 1 1 4 PHE CE1 C 0.708 -1.106 2.780 1.00 . A A . 4 PHE CE1 1 1 25 1844 1 1 4 PHE CE2 C 2.017 0.709 1.937 1.00 . A A . 4 PHE CE2 1 1 25 1845 1 1 4 PHE CG C 2.328 -1.504 1.046 1.00 . A A . 4 PHE CG 1 1 25 1846 1 1 4 PHE CZ C 1.042 0.234 2.793 1.00 . A A . 4 PHE CZ 1 1 25 1847 1 1 4 PHE H H 1.188 -0.965 -1.005 1.00 . A A . 4 PHE H 1 1 25 1848 1 1 4 PHE HA H 2.850 -3.163 -1.906 1.00 . A A . 4 PHE HA 1 1 25 1849 1 1 4 PHE HB2 H 3.280 -3.334 0.650 1.00 . A A . 4 PHE HB2 1 1 25 1850 1 1 4 PHE HB3 H 3.932 -1.961 -0.234 1.00 . A A . 4 PHE HB3 1 1 25 1851 1 1 4 PHE HD1 H 1.086 -3.015 1.900 1.00 . A A . 4 PHE HD1 1 1 25 1852 1 1 4 PHE HD2 H 3.416 0.214 0.401 1.00 . A A . 4 PHE HD2 1 1 25 1853 1 1 4 PHE HE1 H -0.054 -1.479 3.448 1.00 . A A . 4 PHE HE1 1 1 25 1854 1 1 4 PHE HE2 H 2.281 1.755 1.945 1.00 . A A . 4 PHE HE2 1 1 25 1855 1 1 4 PHE HZ H 0.543 0.910 3.472 1.00 . A A . 4 PHE HZ 1 1 25 1856 1 1 4 PHE N N 1.448 -1.677 -1.625 1.00 . A A . 4 PHE N 1 1 25 1857 1 1 4 PHE O O 1.539 -5.139 -1.013 1.00 . A A . 4 PHE O 1 1 25 1858 1 1 5 MET C C -1.910 -4.841 -0.905 1.00 . A A . 5 MET C 1 1 25 1859 1 1 5 MET CA C -0.891 -4.621 0.210 1.00 . A A . 5 MET CA 1 1 25 1860 1 1 5 MET CB C -1.606 -4.188 1.490 1.00 . A A . 5 MET CB 1 1 25 1861 1 1 5 MET CE C -3.933 -0.777 2.080 1.00 . A A . 5 MET CE 1 1 25 1862 1 1 5 MET CG C -2.090 -2.747 1.457 1.00 . A A . 5 MET CG 1 1 25 1863 1 1 5 MET H H -0.082 -2.677 -0.008 1.00 . A A . 5 MET H 1 1 25 1864 1 1 5 MET HA H -0.371 -5.550 0.395 1.00 . A A . 5 MET HA 1 1 25 1865 1 1 5 MET HB2 H -2.461 -4.830 1.647 1.00 . A A . 5 MET HB2 1 1 25 1866 1 1 5 MET HB3 H -0.928 -4.298 2.323 1.00 . A A . 5 MET HB3 1 1 25 1867 1 1 5 MET HE1 H -4.778 -0.490 1.471 1.00 . A A . 5 MET HE1 1 1 25 1868 1 1 5 MET HE2 H -3.033 -0.335 1.679 1.00 . A A . 5 MET HE2 1 1 25 1869 1 1 5 MET HE3 H -4.084 -0.431 3.092 1.00 . A A . 5 MET HE3 1 1 25 1870 1 1 5 MET HG2 H -1.432 -2.147 2.066 1.00 . A A . 5 MET HG2 1 1 25 1871 1 1 5 MET HG3 H -2.056 -2.393 0.437 1.00 . A A . 5 MET HG3 1 1 25 1872 1 1 5 MET N N 0.099 -3.625 -0.180 1.00 . A A . 5 MET N 1 1 25 1873 1 1 5 MET O O -2.047 -5.996 -1.361 1.00 . A A . 5 MET O 1 1 25 1874 1 1 5 MET OXT O -2.561 -3.857 -1.312 1.00 . A A . 5 MET OXT 1 1 25 1875 1 1 5 MET SD S -3.774 -2.560 2.076 1.00 . A A . 5 MET SD 1 1 26 1876 1 1 1 TYR C C 1.403 3.331 0.189 1.00 . A A . 1 TYR C 1 1 26 1877 1 1 1 TYR CA C 0.410 3.285 1.347 1.00 . A A . 1 TYR CA 1 1 26 1878 1 1 1 TYR CB C -0.741 4.261 1.092 1.00 . A A . 1 TYR CB 1 1 26 1879 1 1 1 TYR CD1 C -2.629 2.725 0.416 1.00 . A A . 1 TYR CD1 1 1 26 1880 1 1 1 TYR CD2 C -1.842 4.314 -1.177 1.00 . A A . 1 TYR CD2 1 1 26 1881 1 1 1 TYR CE1 C -3.556 2.262 -0.499 1.00 . A A . 1 TYR CE1 1 1 26 1882 1 1 1 TYR CE2 C -2.766 3.858 -2.096 1.00 . A A . 1 TYR CE2 1 1 26 1883 1 1 1 TYR CG C -1.757 3.757 0.092 1.00 . A A . 1 TYR CG 1 1 26 1884 1 1 1 TYR CZ C -3.622 2.832 -1.753 1.00 . A A . 1 TYR CZ 1 1 26 1885 1 1 1 TYR H1 H 1.597 4.531 2.475 1.00 . A A . 1 TYR H1 1 1 26 1886 1 1 1 TYR H2 H 1.696 2.872 2.899 1.00 . A A . 1 TYR H2 1 1 26 1887 1 1 1 TYR H3 H 0.315 3.790 3.339 1.00 . A A . 1 TYR H3 1 1 26 1888 1 1 1 TYR HA H 0.015 2.284 1.435 1.00 . A A . 1 TYR HA 1 1 26 1889 1 1 1 TYR HB2 H -1.255 4.452 2.020 1.00 . A A . 1 TYR HB2 1 1 26 1890 1 1 1 TYR HB3 H -0.336 5.187 0.712 1.00 . A A . 1 TYR HB3 1 1 26 1891 1 1 1 TYR HD1 H -2.574 2.280 1.398 1.00 . A A . 1 TYR HD1 1 1 26 1892 1 1 1 TYR HD2 H -1.171 5.117 -1.444 1.00 . A A . 1 TYR HD2 1 1 26 1893 1 1 1 TYR HE1 H -4.226 1.459 -0.229 1.00 . A A . 1 TYR HE1 1 1 26 1894 1 1 1 TYR HE2 H -2.815 4.304 -3.079 1.00 . A A . 1 TYR HE2 1 1 26 1895 1 1 1 TYR HH H -4.104 2.183 -3.497 1.00 . A A . 1 TYR HH 1 1 26 1896 1 1 1 TYR N N 1.064 3.653 2.631 1.00 . A A . 1 TYR N 1 1 26 1897 1 1 1 TYR O O 2.564 3.697 0.367 1.00 . A A . 1 TYR O 1 1 26 1898 1 1 1 TYR OH O -4.544 2.375 -2.665 1.00 . A A . 1 TYR OH 1 1 26 1899 1 1 2 GLY C C 1.457 1.831 -3.128 1.00 . A A . 2 GLY C 1 1 26 1900 1 1 2 GLY CA C 1.783 2.962 -2.170 1.00 . A A . 2 GLY CA 1 1 26 1901 1 1 2 GLY H H 0.003 2.678 -1.076 1.00 . A A . 2 GLY H 1 1 26 1902 1 1 2 GLY HA2 H 1.655 3.902 -2.684 1.00 . A A . 2 GLY HA2 1 1 26 1903 1 1 2 GLY HA3 H 2.812 2.870 -1.857 1.00 . A A . 2 GLY HA3 1 1 26 1904 1 1 2 GLY N N 0.934 2.958 -0.997 1.00 . A A . 2 GLY N 1 1 26 1905 1 1 2 GLY O O 1.813 1.885 -4.304 1.00 . A A . 2 GLY O 1 1 26 1906 1 1 3 GLY C C 1.141 -1.592 -3.066 1.00 . A A . 3 GLY C 1 1 26 1907 1 1 3 GLY CA C 0.410 -0.324 -3.455 1.00 . A A . 3 GLY CA 1 1 26 1908 1 1 3 GLY H H 0.517 0.819 -1.678 1.00 . A A . 3 GLY H 1 1 26 1909 1 1 3 GLY HA2 H -0.652 -0.495 -3.362 1.00 . A A . 3 GLY HA2 1 1 26 1910 1 1 3 GLY HA3 H 0.639 -0.091 -4.484 1.00 . A A . 3 GLY HA3 1 1 26 1911 1 1 3 GLY N N 0.776 0.807 -2.623 1.00 . A A . 3 GLY N 1 1 26 1912 1 1 3 GLY O O 1.351 -2.477 -3.896 1.00 . A A . 3 GLY O 1 1 26 1913 1 1 4 PHE C C 1.241 -3.910 -0.814 1.00 . A A . 4 PHE C 1 1 26 1914 1 1 4 PHE CA C 2.229 -2.858 -1.297 1.00 . A A . 4 PHE CA 1 1 26 1915 1 1 4 PHE CB C 3.173 -2.472 -0.157 1.00 . A A . 4 PHE CB 1 1 26 1916 1 1 4 PHE CD1 C 1.635 -1.892 1.740 1.00 . A A . 4 PHE CD1 1 1 26 1917 1 1 4 PHE CD2 C 2.991 -0.165 0.809 1.00 . A A . 4 PHE CD2 1 1 26 1918 1 1 4 PHE CE1 C 1.096 -0.988 2.637 1.00 . A A . 4 PHE CE1 1 1 26 1919 1 1 4 PHE CE2 C 2.457 0.742 1.703 1.00 . A A . 4 PHE CE2 1 1 26 1920 1 1 4 PHE CG C 2.587 -1.490 0.817 1.00 . A A . 4 PHE CG 1 1 26 1921 1 1 4 PHE CZ C 1.507 0.330 2.619 1.00 . A A . 4 PHE CZ 1 1 26 1922 1 1 4 PHE H H 1.323 -0.948 -1.183 1.00 . A A . 4 PHE H 1 1 26 1923 1 1 4 PHE HA H 2.808 -3.270 -2.111 1.00 . A A . 4 PHE HA 1 1 26 1924 1 1 4 PHE HB2 H 3.438 -3.361 0.393 1.00 . A A . 4 PHE HB2 1 1 26 1925 1 1 4 PHE HB3 H 4.067 -2.034 -0.574 1.00 . A A . 4 PHE HB3 1 1 26 1926 1 1 4 PHE HD1 H 1.312 -2.922 1.756 1.00 . A A . 4 PHE HD1 1 1 26 1927 1 1 4 PHE HD2 H 3.732 0.159 0.093 1.00 . A A . 4 PHE HD2 1 1 26 1928 1 1 4 PHE HE1 H 0.355 -1.313 3.352 1.00 . A A . 4 PHE HE1 1 1 26 1929 1 1 4 PHE HE2 H 2.780 1.772 1.687 1.00 . A A . 4 PHE HE2 1 1 26 1930 1 1 4 PHE HZ H 1.088 1.037 3.320 1.00 . A A . 4 PHE HZ 1 1 26 1931 1 1 4 PHE N N 1.524 -1.685 -1.798 1.00 . A A . 4 PHE N 1 1 26 1932 1 1 4 PHE O O 1.454 -5.110 -0.991 1.00 . A A . 4 PHE O 1 1 26 1933 1 1 5 MET C C -2.136 -4.262 -0.539 1.00 . A A . 5 MET C 1 1 26 1934 1 1 5 MET CA C -0.872 -4.339 0.313 1.00 . A A . 5 MET CA 1 1 26 1935 1 1 5 MET CB C -1.197 -3.991 1.767 1.00 . A A . 5 MET CB 1 1 26 1936 1 1 5 MET CE C -3.687 -0.645 1.776 1.00 . A A . 5 MET CE 1 1 26 1937 1 1 5 MET CG C -1.706 -2.571 1.960 1.00 . A A . 5 MET CG 1 1 26 1938 1 1 5 MET H H 0.053 -2.479 -0.096 1.00 . A A . 5 MET H 1 1 26 1939 1 1 5 MET HA H -0.488 -5.347 0.272 1.00 . A A . 5 MET HA 1 1 26 1940 1 1 5 MET HB2 H -1.953 -4.673 2.128 1.00 . A A . 5 MET HB2 1 1 26 1941 1 1 5 MET HB3 H -0.304 -4.112 2.361 1.00 . A A . 5 MET HB3 1 1 26 1942 1 1 5 MET HE1 H -2.720 -0.175 1.863 1.00 . A A . 5 MET HE1 1 1 26 1943 1 1 5 MET HE2 H -4.285 -0.402 2.642 1.00 . A A . 5 MET HE2 1 1 26 1944 1 1 5 MET HE3 H -4.183 -0.289 0.885 1.00 . A A . 5 MET HE3 1 1 26 1945 1 1 5 MET HG2 H -1.493 -2.261 2.972 1.00 . A A . 5 MET HG2 1 1 26 1946 1 1 5 MET HG3 H -1.189 -1.921 1.270 1.00 . A A . 5 MET HG3 1 1 26 1947 1 1 5 MET N N 0.160 -3.447 -0.202 1.00 . A A . 5 MET N 1 1 26 1948 1 1 5 MET O O -2.063 -3.703 -1.653 1.00 . A A . 5 MET O 1 1 26 1949 1 1 5 MET OXT O -3.186 -4.760 -0.084 1.00 . A A . 5 MET OXT 1 1 26 1950 1 1 5 MET SD S -3.480 -2.422 1.674 1.00 . A A . 5 MET SD 1 1 27 1951 1 1 1 TYR C C 1.705 3.662 -0.187 1.00 . A A . 1 TYR C 1 1 27 1952 1 1 1 TYR CA C 0.916 3.751 1.114 1.00 . A A . 1 TYR CA 1 1 27 1953 1 1 1 TYR CB C -0.256 4.719 0.951 1.00 . A A . 1 TYR CB 1 1 27 1954 1 1 1 TYR CD1 C -2.239 3.165 0.778 1.00 . A A . 1 TYR CD1 1 1 27 1955 1 1 1 TYR CD2 C -1.717 4.542 -1.096 1.00 . A A . 1 TYR CD2 1 1 27 1956 1 1 1 TYR CE1 C -3.308 2.626 0.088 1.00 . A A . 1 TYR CE1 1 1 27 1957 1 1 1 TYR CE2 C -2.782 4.009 -1.793 1.00 . A A . 1 TYR CE2 1 1 27 1958 1 1 1 TYR CG C -1.427 4.132 0.199 1.00 . A A . 1 TYR CG 1 1 27 1959 1 1 1 TYR CZ C -3.575 3.051 -1.196 1.00 . A A . 1 TYR CZ 1 1 27 1960 1 1 1 TYR H1 H 1.310 3.964 3.123 1.00 . A A . 1 TYR H1 1 1 27 1961 1 1 1 TYR H2 H 1.860 5.262 2.145 1.00 . A A . 1 TYR H2 1 1 27 1962 1 1 1 TYR H3 H 2.700 3.767 2.140 1.00 . A A . 1 TYR H3 1 1 27 1963 1 1 1 TYR HA H 0.538 2.772 1.366 1.00 . A A . 1 TYR HA 1 1 27 1964 1 1 1 TYR HB2 H -0.605 5.020 1.926 1.00 . A A . 1 TYR HB2 1 1 27 1965 1 1 1 TYR HB3 H 0.082 5.590 0.410 1.00 . A A . 1 TYR HB3 1 1 27 1966 1 1 1 TYR HD1 H -2.026 2.834 1.783 1.00 . A A . 1 TYR HD1 1 1 27 1967 1 1 1 TYR HD2 H -1.094 5.294 -1.560 1.00 . A A . 1 TYR HD2 1 1 27 1968 1 1 1 TYR HE1 H -3.929 1.876 0.555 1.00 . A A . 1 TYR HE1 1 1 27 1969 1 1 1 TYR HE2 H -2.988 4.341 -2.799 1.00 . A A . 1 TYR HE2 1 1 27 1970 1 1 1 TYR HH H -5.435 2.595 -1.360 1.00 . A A . 1 TYR HH 1 1 27 1971 1 1 1 TYR N N 1.774 4.229 2.231 1.00 . A A . 1 TYR N 1 1 27 1972 1 1 1 TYR O O 2.879 4.031 -0.241 1.00 . A A . 1 TYR O 1 1 27 1973 1 1 1 TYR OH O -4.637 2.515 -1.887 1.00 . A A . 1 TYR OH 1 1 27 1974 1 1 2 GLY C C 1.229 1.835 -3.303 1.00 . A A . 2 GLY C 1 1 27 1975 1 1 2 GLY CA C 1.701 3.048 -2.523 1.00 . A A . 2 GLY CA 1 1 27 1976 1 1 2 GLY H H 0.121 2.899 -1.135 1.00 . A A . 2 GLY H 1 1 27 1977 1 1 2 GLY HA2 H 1.492 3.935 -3.101 1.00 . A A . 2 GLY HA2 1 1 27 1978 1 1 2 GLY HA3 H 2.767 2.972 -2.369 1.00 . A A . 2 GLY HA3 1 1 27 1979 1 1 2 GLY N N 1.052 3.173 -1.235 1.00 . A A . 2 GLY N 1 1 27 1980 1 1 2 GLY O O 1.354 1.792 -4.528 1.00 . A A . 2 GLY O 1 1 27 1981 1 1 3 GLY C C 1.005 -1.581 -2.871 1.00 . A A . 3 GLY C 1 1 27 1982 1 1 3 GLY CA C 0.204 -0.353 -3.253 1.00 . A A . 3 GLY CA 1 1 27 1983 1 1 3 GLY H H 0.613 0.937 -1.624 1.00 . A A . 3 GLY H 1 1 27 1984 1 1 3 GLY HA2 H -0.829 -0.510 -2.977 1.00 . A A . 3 GLY HA2 1 1 27 1985 1 1 3 GLY HA3 H 0.263 -0.216 -4.323 1.00 . A A . 3 GLY HA3 1 1 27 1986 1 1 3 GLY N N 0.687 0.849 -2.598 1.00 . A A . 3 GLY N 1 1 27 1987 1 1 3 GLY O O 1.275 -2.441 -3.710 1.00 . A A . 3 GLY O 1 1 27 1988 1 1 4 PHE C C 1.251 -3.946 -0.691 1.00 . A A . 4 PHE C 1 1 27 1989 1 1 4 PHE CA C 2.163 -2.797 -1.109 1.00 . A A . 4 PHE CA 1 1 27 1990 1 1 4 PHE CB C 3.042 -2.376 0.072 1.00 . A A . 4 PHE CB 1 1 27 1991 1 1 4 PHE CD1 C 1.436 -1.912 1.947 1.00 . A A . 4 PHE CD1 1 1 27 1992 1 1 4 PHE CD2 C 2.654 -0.084 1.017 1.00 . A A . 4 PHE CD2 1 1 27 1993 1 1 4 PHE CE1 C 0.812 -1.049 2.828 1.00 . A A . 4 PHE CE1 1 1 27 1994 1 1 4 PHE CE2 C 2.033 0.781 1.896 1.00 . A A . 4 PHE CE2 1 1 27 1995 1 1 4 PHE CG C 2.364 -1.438 1.032 1.00 . A A . 4 PHE CG 1 1 27 1996 1 1 4 PHE CZ C 1.110 0.299 2.803 1.00 . A A . 4 PHE CZ 1 1 27 1997 1 1 4 PHE H H 1.139 -0.947 -0.981 1.00 . A A . 4 PHE H 1 1 27 1998 1 1 4 PHE HA H 2.799 -3.136 -1.913 1.00 . A A . 4 PHE HA 1 1 27 1999 1 1 4 PHE HB2 H 3.338 -3.255 0.623 1.00 . A A . 4 PHE HB2 1 1 27 2000 1 1 4 PHE HB3 H 3.924 -1.881 -0.307 1.00 . A A . 4 PHE HB3 1 1 27 2001 1 1 4 PHE HD1 H 1.202 -2.966 1.968 1.00 . A A . 4 PHE HD1 1 1 27 2002 1 1 4 PHE HD2 H 3.375 0.295 0.308 1.00 . A A . 4 PHE HD2 1 1 27 2003 1 1 4 PHE HE1 H 0.090 -1.430 3.536 1.00 . A A . 4 PHE HE1 1 1 27 2004 1 1 4 PHE HE2 H 2.270 1.835 1.873 1.00 . A A . 4 PHE HE2 1 1 27 2005 1 1 4 PHE HZ H 0.624 0.974 3.491 1.00 . A A . 4 PHE HZ 1 1 27 2006 1 1 4 PHE N N 1.386 -1.665 -1.601 1.00 . A A . 4 PHE N 1 1 27 2007 1 1 4 PHE O O 1.558 -5.115 -0.928 1.00 . A A . 4 PHE O 1 1 27 2008 1 1 5 MET C C -1.496 -5.300 -0.802 1.00 . A A . 5 MET C 1 1 27 2009 1 1 5 MET CA C -0.829 -4.610 0.384 1.00 . A A . 5 MET CA 1 1 27 2010 1 1 5 MET CB C -1.891 -3.963 1.275 1.00 . A A . 5 MET CB 1 1 27 2011 1 1 5 MET CE C -4.011 -0.965 2.225 1.00 . A A . 5 MET CE 1 1 27 2012 1 1 5 MET CG C -2.480 -2.689 0.691 1.00 . A A . 5 MET CG 1 1 27 2013 1 1 5 MET H H -0.060 -2.658 0.093 1.00 . A A . 5 MET H 1 1 27 2014 1 1 5 MET HA H -0.291 -5.347 0.959 1.00 . A A . 5 MET HA 1 1 27 2015 1 1 5 MET HB2 H -2.694 -4.668 1.428 1.00 . A A . 5 MET HB2 1 1 27 2016 1 1 5 MET HB3 H -1.446 -3.724 2.230 1.00 . A A . 5 MET HB3 1 1 27 2017 1 1 5 MET HE1 H -4.955 -0.741 2.700 1.00 . A A . 5 MET HE1 1 1 27 2018 1 1 5 MET HE2 H -3.708 -0.128 1.615 1.00 . A A . 5 MET HE2 1 1 27 2019 1 1 5 MET HE3 H -3.263 -1.149 2.982 1.00 . A A . 5 MET HE3 1 1 27 2020 1 1 5 MET HG2 H -1.886 -1.850 1.021 1.00 . A A . 5 MET HG2 1 1 27 2021 1 1 5 MET HG3 H -2.445 -2.754 -0.386 1.00 . A A . 5 MET HG3 1 1 27 2022 1 1 5 MET N N 0.129 -3.607 -0.068 1.00 . A A . 5 MET N 1 1 27 2023 1 1 5 MET O O -2.571 -4.830 -1.231 1.00 . A A . 5 MET O 1 1 27 2024 1 1 5 MET OXT O -0.937 -6.304 -1.291 1.00 . A A . 5 MET OXT 1 1 27 2025 1 1 5 MET SD S -4.190 -2.420 1.197 1.00 . A A . 5 MET SD 1 1 28 2026 1 1 1 TYR C C 1.599 3.622 -0.107 1.00 . A A . 1 TYR C 1 1 28 2027 1 1 1 TYR CA C 0.732 3.615 1.148 1.00 . A A . 1 TYR CA 1 1 28 2028 1 1 1 TYR CB C -0.477 4.531 0.955 1.00 . A A . 1 TYR CB 1 1 28 2029 1 1 1 TYR CD1 C -2.408 2.931 0.654 1.00 . A A . 1 TYR CD1 1 1 28 2030 1 1 1 TYR CD2 C -1.795 4.319 -1.185 1.00 . A A . 1 TYR CD2 1 1 28 2031 1 1 1 TYR CE1 C -3.416 2.366 -0.106 1.00 . A A . 1 TYR CE1 1 1 28 2032 1 1 1 TYR CE2 C -2.799 3.758 -1.951 1.00 . A A . 1 TYR CE2 1 1 28 2033 1 1 1 TYR CG C -1.582 3.915 0.127 1.00 . A A . 1 TYR CG 1 1 28 2034 1 1 1 TYR CZ C -3.606 2.782 -1.406 1.00 . A A . 1 TYR CZ 1 1 28 2035 1 1 1 TYR H1 H 1.499 5.122 2.324 1.00 . A A . 1 TYR H1 1 1 28 2036 1 1 1 TYR H2 H 2.465 3.705 2.255 1.00 . A A . 1 TYR H2 1 1 28 2037 1 1 1 TYR H3 H 1.022 3.718 3.183 1.00 . A A . 1 TYR H3 1 1 28 2038 1 1 1 TYR HA H 0.391 2.608 1.334 1.00 . A A . 1 TYR HA 1 1 28 2039 1 1 1 TYR HB2 H -0.888 4.783 1.921 1.00 . A A . 1 TYR HB2 1 1 28 2040 1 1 1 TYR HB3 H -0.156 5.435 0.458 1.00 . A A . 1 TYR HB3 1 1 28 2041 1 1 1 TYR HD1 H -2.256 2.607 1.672 1.00 . A A . 1 TYR HD1 1 1 28 2042 1 1 1 TYR HD2 H -1.160 5.083 -1.608 1.00 . A A . 1 TYR HD2 1 1 28 2043 1 1 1 TYR HE1 H -4.048 1.600 0.321 1.00 . A A . 1 TYR HE1 1 1 28 2044 1 1 1 TYR HE2 H -2.945 4.084 -2.969 1.00 . A A . 1 TYR HE2 1 1 28 2045 1 1 1 TYR HH H -4.234 1.558 -2.751 1.00 . A A . 1 TYR HH 1 1 28 2046 1 1 1 TYR N N 1.498 4.083 2.334 1.00 . A A . 1 TYR N 1 1 28 2047 1 1 1 TYR O O 2.749 4.062 -0.080 1.00 . A A . 1 TYR O 1 1 28 2048 1 1 1 TYR OH O -4.608 2.221 -2.166 1.00 . A A . 1 TYR OH 1 1 28 2049 1 1 2 GLY C C 1.359 1.911 -3.319 1.00 . A A . 2 GLY C 1 1 28 2050 1 1 2 GLY CA C 1.758 3.094 -2.460 1.00 . A A . 2 GLY CA 1 1 28 2051 1 1 2 GLY H H 0.120 2.804 -1.167 1.00 . A A . 2 GLY H 1 1 28 2052 1 1 2 GLY HA2 H 1.557 4.003 -3.005 1.00 . A A . 2 GLY HA2 1 1 28 2053 1 1 2 GLY HA3 H 2.816 3.035 -2.253 1.00 . A A . 2 GLY HA3 1 1 28 2054 1 1 2 GLY N N 1.035 3.136 -1.206 1.00 . A A . 2 GLY N 1 1 28 2055 1 1 2 GLY O O 1.488 1.953 -4.543 1.00 . A A . 2 GLY O 1 1 28 2056 1 1 3 GLY C C 1.196 -1.575 -2.974 1.00 . A A . 3 GLY C 1 1 28 2057 1 1 3 GLY CA C 0.451 -0.329 -3.408 1.00 . A A . 3 GLY CA 1 1 28 2058 1 1 3 GLY H H 0.785 0.880 -1.702 1.00 . A A . 3 GLY H 1 1 28 2059 1 1 3 GLY HA2 H -0.605 -0.483 -3.246 1.00 . A A . 3 GLY HA2 1 1 28 2060 1 1 3 GLY HA3 H 0.622 -0.169 -4.462 1.00 . A A . 3 GLY HA3 1 1 28 2061 1 1 3 GLY N N 0.868 0.854 -2.679 1.00 . A A . 3 GLY N 1 1 28 2062 1 1 3 GLY O O 1.517 -2.433 -3.796 1.00 . A A . 3 GLY O 1 1 28 2063 1 1 4 PHE C C 1.192 -3.915 -0.714 1.00 . A A . 4 PHE C 1 1 28 2064 1 1 4 PHE CA C 2.175 -2.831 -1.136 1.00 . A A . 4 PHE CA 1 1 28 2065 1 1 4 PHE CB C 3.037 -2.419 0.059 1.00 . A A . 4 PHE CB 1 1 28 2066 1 1 4 PHE CD1 C 1.417 -2.012 1.932 1.00 . A A . 4 PHE CD1 1 1 28 2067 1 1 4 PHE CD2 C 2.603 -0.148 1.034 1.00 . A A . 4 PHE CD2 1 1 28 2068 1 1 4 PHE CE1 C 0.774 -1.176 2.825 1.00 . A A . 4 PHE CE1 1 1 28 2069 1 1 4 PHE CE2 C 1.964 0.693 1.924 1.00 . A A . 4 PHE CE2 1 1 28 2070 1 1 4 PHE CG C 2.338 -1.508 1.028 1.00 . A A . 4 PHE CG 1 1 28 2071 1 1 4 PHE CZ C 1.048 0.178 2.822 1.00 . A A . 4 PHE CZ 1 1 28 2072 1 1 4 PHE H H 1.183 -0.962 -1.073 1.00 . A A . 4 PHE H 1 1 28 2073 1 1 4 PHE HA H 2.815 -3.223 -1.913 1.00 . A A . 4 PHE HA 1 1 28 2074 1 1 4 PHE HB2 H 3.336 -3.305 0.597 1.00 . A A . 4 PHE HB2 1 1 28 2075 1 1 4 PHE HB3 H 3.918 -1.909 -0.302 1.00 . A A . 4 PHE HB3 1 1 28 2076 1 1 4 PHE HD1 H 1.203 -3.070 1.936 1.00 . A A . 4 PHE HD1 1 1 28 2077 1 1 4 PHE HD2 H 3.319 0.255 0.332 1.00 . A A . 4 PHE HD2 1 1 28 2078 1 1 4 PHE HE1 H 0.058 -1.581 3.525 1.00 . A A . 4 PHE HE1 1 1 28 2079 1 1 4 PHE HE2 H 2.180 1.750 1.920 1.00 . A A . 4 PHE HE2 1 1 28 2080 1 1 4 PHE HZ H 0.547 0.833 3.518 1.00 . A A . 4 PHE HZ 1 1 28 2081 1 1 4 PHE N N 1.468 -1.677 -1.678 1.00 . A A . 4 PHE N 1 1 28 2082 1 1 4 PHE O O 1.439 -5.105 -0.912 1.00 . A A . 4 PHE O 1 1 28 2083 1 1 5 MET C C -1.747 -4.971 -0.861 1.00 . A A . 5 MET C 1 1 28 2084 1 1 5 MET CA C -0.952 -4.423 0.319 1.00 . A A . 5 MET CA 1 1 28 2085 1 1 5 MET CB C -1.895 -3.734 1.307 1.00 . A A . 5 MET CB 1 1 28 2086 1 1 5 MET CE C -2.658 -0.857 2.956 1.00 . A A . 5 MET CE 1 1 28 2087 1 1 5 MET CG C -2.590 -2.510 0.733 1.00 . A A . 5 MET CG 1 1 28 2088 1 1 5 MET H H -0.059 -2.530 -0.006 1.00 . A A . 5 MET H 1 1 28 2089 1 1 5 MET HA H -0.460 -5.244 0.819 1.00 . A A . 5 MET HA 1 1 28 2090 1 1 5 MET HB2 H -2.652 -4.439 1.615 1.00 . A A . 5 MET HB2 1 1 28 2091 1 1 5 MET HB3 H -1.329 -3.426 2.173 1.00 . A A . 5 MET HB3 1 1 28 2092 1 1 5 MET HE1 H -2.008 -0.237 2.355 1.00 . A A . 5 MET HE1 1 1 28 2093 1 1 5 MET HE2 H -2.062 -1.547 3.535 1.00 . A A . 5 MET HE2 1 1 28 2094 1 1 5 MET HE3 H -3.235 -0.233 3.622 1.00 . A A . 5 MET HE3 1 1 28 2095 1 1 5 MET HG2 H -1.842 -1.772 0.483 1.00 . A A . 5 MET HG2 1 1 28 2096 1 1 5 MET HG3 H -3.120 -2.800 -0.162 1.00 . A A . 5 MET HG3 1 1 28 2097 1 1 5 MET N N 0.076 -3.493 -0.133 1.00 . A A . 5 MET N 1 1 28 2098 1 1 5 MET O O -1.395 -4.644 -2.013 1.00 . A A . 5 MET O 1 1 28 2099 1 1 5 MET OXT O -2.715 -5.725 -0.623 1.00 . A A . 5 MET OXT 1 1 28 2100 1 1 5 MET SD S -3.764 -1.773 1.886 1.00 . A A . 5 MET SD 1 1 29 2101 1 1 1 TYR C C 1.510 3.591 -0.074 1.00 . A A . 1 TYR C 1 1 29 2102 1 1 1 TYR CA C 0.606 3.702 1.151 1.00 . A A . 1 TYR CA 1 1 29 2103 1 1 1 TYR CB C -0.489 4.742 0.904 1.00 . A A . 1 TYR CB 1 1 29 2104 1 1 1 TYR CD1 C -2.446 3.237 0.371 1.00 . A A . 1 TYR CD1 1 1 29 2105 1 1 1 TYR CD2 C -1.764 4.824 -1.270 1.00 . A A . 1 TYR CD2 1 1 29 2106 1 1 1 TYR CE1 C -3.448 2.792 -0.470 1.00 . A A . 1 TYR CE1 1 1 29 2107 1 1 1 TYR CE2 C -2.763 4.385 -2.117 1.00 . A A . 1 TYR CE2 1 1 29 2108 1 1 1 TYR CG C -1.589 4.260 -0.013 1.00 . A A . 1 TYR CG 1 1 29 2109 1 1 1 TYR CZ C -3.602 3.369 -1.713 1.00 . A A . 1 TYR CZ 1 1 29 2110 1 1 1 TYR H1 H 1.561 5.127 2.286 1.00 . A A . 1 TYR H1 1 1 29 2111 1 1 1 TYR H2 H 2.269 3.564 2.354 1.00 . A A . 1 TYR H2 1 1 29 2112 1 1 1 TYR H3 H 0.804 3.883 3.190 1.00 . A A . 1 TYR H3 1 1 29 2113 1 1 1 TYR HA H 0.149 2.743 1.340 1.00 . A A . 1 TYR HA 1 1 29 2114 1 1 1 TYR HB2 H -0.938 5.013 1.847 1.00 . A A . 1 TYR HB2 1 1 29 2115 1 1 1 TYR HB3 H -0.046 5.619 0.456 1.00 . A A . 1 TYR HB3 1 1 29 2116 1 1 1 TYR HD1 H -2.323 2.787 1.346 1.00 . A A . 1 TYR HD1 1 1 29 2117 1 1 1 TYR HD2 H -1.105 5.620 -1.585 1.00 . A A . 1 TYR HD2 1 1 29 2118 1 1 1 TYR HE1 H -4.105 1.996 -0.152 1.00 . A A . 1 TYR HE1 1 1 29 2119 1 1 1 TYR HE2 H -2.882 4.838 -3.090 1.00 . A A . 1 TYR HE2 1 1 29 2120 1 1 1 TYR HH H -5.451 3.040 -2.126 1.00 . A A . 1 TYR HH 1 1 29 2121 1 1 1 TYR N N 1.379 4.106 2.354 1.00 . A A . 1 TYR N 1 1 29 2122 1 1 1 TYR O O 2.708 3.862 -0.001 1.00 . A A . 1 TYR O 1 1 29 2123 1 1 1 TYR OH O -4.598 2.928 -2.553 1.00 . A A . 1 TYR OH 1 1 29 2124 1 1 2 GLY C C 1.261 1.835 -3.230 1.00 . A A . 2 GLY C 1 1 29 2125 1 1 2 GLY CA C 1.684 3.048 -2.423 1.00 . A A . 2 GLY CA 1 1 29 2126 1 1 2 GLY H H -0.031 2.989 -1.195 1.00 . A A . 2 GLY H 1 1 29 2127 1 1 2 GLY HA2 H 1.540 3.933 -3.023 1.00 . A A . 2 GLY HA2 1 1 29 2128 1 1 2 GLY HA3 H 2.731 2.957 -2.177 1.00 . A A . 2 GLY HA3 1 1 29 2129 1 1 2 GLY N N 0.925 3.190 -1.197 1.00 . A A . 2 GLY N 1 1 29 2130 1 1 2 GLY O O 1.543 1.748 -4.425 1.00 . A A . 2 GLY O 1 1 29 2131 1 1 3 GLY C C 0.982 -1.509 -2.930 1.00 . A A . 3 GLY C 1 1 29 2132 1 1 3 GLY CA C 0.129 -0.301 -3.257 1.00 . A A . 3 GLY CA 1 1 29 2133 1 1 3 GLY H H 0.384 1.020 -1.625 1.00 . A A . 3 GLY H 1 1 29 2134 1 1 3 GLY HA2 H -0.891 -0.506 -2.963 1.00 . A A . 3 GLY HA2 1 1 29 2135 1 1 3 GLY HA3 H 0.158 -0.131 -4.323 1.00 . A A . 3 GLY HA3 1 1 29 2136 1 1 3 GLY N N 0.581 0.897 -2.577 1.00 . A A . 3 GLY N 1 1 29 2137 1 1 3 GLY O O 1.323 -2.295 -3.814 1.00 . A A . 3 GLY O 1 1 29 2138 1 1 4 PHE C C 1.265 -3.948 -0.770 1.00 . A A . 4 PHE C 1 1 29 2139 1 1 4 PHE CA C 2.140 -2.782 -1.211 1.00 . A A . 4 PHE CA 1 1 29 2140 1 1 4 PHE CB C 3.054 -2.357 -0.062 1.00 . A A . 4 PHE CB 1 1 29 2141 1 1 4 PHE CD1 C 1.665 -2.187 2.020 1.00 . A A . 4 PHE CD1 1 1 29 2142 1 1 4 PHE CD2 C 2.395 -0.171 0.979 1.00 . A A . 4 PHE CD2 1 1 29 2143 1 1 4 PHE CE1 C 1.023 -1.452 3.000 1.00 . A A . 4 PHE CE1 1 1 29 2144 1 1 4 PHE CE2 C 1.755 0.570 1.955 1.00 . A A . 4 PHE CE2 1 1 29 2145 1 1 4 PHE CG C 2.357 -1.555 1.000 1.00 . A A . 4 PHE CG 1 1 29 2146 1 1 4 PHE CZ C 1.069 -0.073 2.967 1.00 . A A . 4 PHE CZ 1 1 29 2147 1 1 4 PHE H H 1.017 -1.000 -0.997 1.00 . A A . 4 PHE H 1 1 29 2148 1 1 4 PHE HA H 2.748 -3.100 -2.045 1.00 . A A . 4 PHE HA 1 1 29 2149 1 1 4 PHE HB2 H 3.464 -3.238 0.406 1.00 . A A . 4 PHE HB2 1 1 29 2150 1 1 4 PHE HB3 H 3.861 -1.757 -0.457 1.00 . A A . 4 PHE HB3 1 1 29 2151 1 1 4 PHE HD1 H 1.629 -3.266 2.048 1.00 . A A . 4 PHE HD1 1 1 29 2152 1 1 4 PHE HD2 H 2.931 0.333 0.187 1.00 . A A . 4 PHE HD2 1 1 29 2153 1 1 4 PHE HE1 H 0.487 -1.957 3.790 1.00 . A A . 4 PHE HE1 1 1 29 2154 1 1 4 PHE HE2 H 1.793 1.649 1.926 1.00 . A A . 4 PHE HE2 1 1 29 2155 1 1 4 PHE HZ H 0.568 0.504 3.730 1.00 . A A . 4 PHE HZ 1 1 29 2156 1 1 4 PHE N N 1.324 -1.660 -1.655 1.00 . A A . 4 PHE N 1 1 29 2157 1 1 4 PHE O O 1.570 -5.109 -1.045 1.00 . A A . 4 PHE O 1 1 29 2158 1 1 5 MET C C -1.551 -5.248 -0.750 1.00 . A A . 5 MET C 1 1 29 2159 1 1 5 MET CA C -0.751 -4.648 0.402 1.00 . A A . 5 MET CA 1 1 29 2160 1 1 5 MET CB C -1.700 -4.052 1.441 1.00 . A A . 5 MET CB 1 1 29 2161 1 1 5 MET CE C -2.396 -1.223 3.030 1.00 . A A . 5 MET CE 1 1 29 2162 1 1 5 MET CG C -2.608 -2.967 0.886 1.00 . A A . 5 MET CG 1 1 29 2163 1 1 5 MET H H -0.012 -2.685 0.104 1.00 . A A . 5 MET H 1 1 29 2164 1 1 5 MET HA H -0.168 -5.430 0.865 1.00 . A A . 5 MET HA 1 1 29 2165 1 1 5 MET HB2 H -2.320 -4.842 1.839 1.00 . A A . 5 MET HB2 1 1 29 2166 1 1 5 MET HB3 H -1.116 -3.627 2.244 1.00 . A A . 5 MET HB3 1 1 29 2167 1 1 5 MET HE1 H -2.676 -0.180 3.002 1.00 . A A . 5 MET HE1 1 1 29 2168 1 1 5 MET HE2 H -1.434 -1.350 2.556 1.00 . A A . 5 MET HE2 1 1 29 2169 1 1 5 MET HE3 H -2.338 -1.553 4.057 1.00 . A A . 5 MET HE3 1 1 29 2170 1 1 5 MET HG2 H -1.996 -2.206 0.424 1.00 . A A . 5 MET HG2 1 1 29 2171 1 1 5 MET HG3 H -3.257 -3.404 0.143 1.00 . A A . 5 MET HG3 1 1 29 2172 1 1 5 MET N N 0.174 -3.629 -0.082 1.00 . A A . 5 MET N 1 1 29 2173 1 1 5 MET O O -2.162 -4.470 -1.513 1.00 . A A . 5 MET O 1 1 29 2174 1 1 5 MET OXT O -1.558 -6.491 -0.881 1.00 . A A . 5 MET OXT 1 1 29 2175 1 1 5 MET SD S -3.623 -2.193 2.159 1.00 . A A . 5 MET SD 1 1 30 2176 1 1 1 TYR C C 1.289 3.281 0.214 1.00 . A A . 1 TYR C 1 1 30 2177 1 1 1 TYR CA C 0.237 3.278 1.320 1.00 . A A . 1 TYR CA 1 1 30 2178 1 1 1 TYR CB C -0.849 4.312 1.016 1.00 . A A . 1 TYR CB 1 1 30 2179 1 1 1 TYR CD1 C -2.692 2.828 0.136 1.00 . A A . 1 TYR CD1 1 1 30 2180 1 1 1 TYR CD2 C -1.837 4.534 -1.293 1.00 . A A . 1 TYR CD2 1 1 30 2181 1 1 1 TYR CE1 C -3.572 2.434 -0.856 1.00 . A A . 1 TYR CE1 1 1 30 2182 1 1 1 TYR CE2 C -2.712 4.146 -2.289 1.00 . A A . 1 TYR CE2 1 1 30 2183 1 1 1 TYR CG C -1.812 3.884 -0.066 1.00 . A A . 1 TYR CG 1 1 30 2184 1 1 1 TYR CZ C -3.578 3.096 -2.065 1.00 . A A . 1 TYR CZ 1 1 30 2185 1 1 1 TYR H1 H 0.077 3.901 3.276 1.00 . A A . 1 TYR H1 1 1 30 2186 1 1 1 TYR H2 H 1.529 4.371 2.493 1.00 . A A . 1 TYR H2 1 1 30 2187 1 1 1 TYR H3 H 1.310 2.745 2.995 1.00 . A A . 1 TYR H3 1 1 30 2188 1 1 1 TYR HA H -0.211 2.298 1.380 1.00 . A A . 1 TYR HA 1 1 30 2189 1 1 1 TYR HB2 H -1.419 4.500 1.913 1.00 . A A . 1 TYR HB2 1 1 30 2190 1 1 1 TYR HB3 H -0.378 5.230 0.696 1.00 . A A . 1 TYR HB3 1 1 30 2191 1 1 1 TYR HD1 H -2.685 2.312 1.085 1.00 . A A . 1 TYR HD1 1 1 30 2192 1 1 1 TYR HD2 H -1.159 5.357 -1.465 1.00 . A A . 1 TYR HD2 1 1 30 2193 1 1 1 TYR HE1 H -4.249 1.612 -0.680 1.00 . A A . 1 TYR HE1 1 1 30 2194 1 1 1 TYR HE2 H -2.714 4.663 -3.236 1.00 . A A . 1 TYR HE2 1 1 30 2195 1 1 1 TYR HH H -4.017 2.767 -3.908 1.00 . A A . 1 TYR HH 1 1 30 2196 1 1 1 TYR N N 0.843 3.603 2.640 1.00 . A A . 1 TYR N 1 1 30 2197 1 1 1 TYR O O 2.461 3.568 0.459 1.00 . A A . 1 TYR O 1 1 30 2198 1 1 1 TYR OH O -4.451 2.706 -3.055 1.00 . A A . 1 TYR OH 1 1 30 2199 1 1 2 GLY C C 1.464 1.802 -3.093 1.00 . A A . 2 GLY C 1 1 30 2200 1 1 2 GLY CA C 1.769 2.932 -2.129 1.00 . A A . 2 GLY CA 1 1 30 2201 1 1 2 GLY H H -0.082 2.743 -1.136 1.00 . A A . 2 GLY H 1 1 30 2202 1 1 2 GLY HA2 H 1.693 3.870 -2.658 1.00 . A A . 2 GLY HA2 1 1 30 2203 1 1 2 GLY HA3 H 2.777 2.817 -1.762 1.00 . A A . 2 GLY HA3 1 1 30 2204 1 1 2 GLY N N 0.860 2.961 -1.001 1.00 . A A . 2 GLY N 1 1 30 2205 1 1 2 GLY O O 1.862 1.847 -4.257 1.00 . A A . 2 GLY O 1 1 30 2206 1 1 3 GLY C C 1.149 -1.605 -3.062 1.00 . A A . 3 GLY C 1 1 30 2207 1 1 3 GLY CA C 0.407 -0.343 -3.451 1.00 . A A . 3 GLY CA 1 1 30 2208 1 1 3 GLY H H 0.463 0.806 -1.675 1.00 . A A . 3 GLY H 1 1 30 2209 1 1 3 GLY HA2 H -0.654 -0.527 -3.366 1.00 . A A . 3 GLY HA2 1 1 30 2210 1 1 3 GLY HA3 H 0.640 -0.102 -4.477 1.00 . A A . 3 GLY HA3 1 1 30 2211 1 1 3 GLY N N 0.754 0.787 -2.610 1.00 . A A . 3 GLY N 1 1 30 2212 1 1 3 GLY O O 1.406 -2.468 -3.902 1.00 . A A . 3 GLY O 1 1 30 2213 1 1 4 PHE C C 1.225 -3.954 -0.831 1.00 . A A . 4 PHE C 1 1 30 2214 1 1 4 PHE CA C 2.205 -2.878 -1.279 1.00 . A A . 4 PHE CA 1 1 30 2215 1 1 4 PHE CB C 3.111 -2.487 -0.110 1.00 . A A . 4 PHE CB 1 1 30 2216 1 1 4 PHE CD1 C 1.529 -2.014 1.779 1.00 . A A . 4 PHE CD1 1 1 30 2217 1 1 4 PHE CD2 C 2.794 -0.204 0.877 1.00 . A A . 4 PHE CD2 1 1 30 2218 1 1 4 PHE CE1 C 0.933 -1.153 2.680 1.00 . A A . 4 PHE CE1 1 1 30 2219 1 1 4 PHE CE2 C 2.201 0.662 1.777 1.00 . A A . 4 PHE CE2 1 1 30 2220 1 1 4 PHE CG C 2.465 -1.550 0.868 1.00 . A A . 4 PHE CG 1 1 30 2221 1 1 4 PHE CZ C 1.269 0.187 2.680 1.00 . A A . 4 PHE CZ 1 1 30 2222 1 1 4 PHE H H 1.253 -0.990 -1.164 1.00 . A A . 4 PHE H 1 1 30 2223 1 1 4 PHE HA H 2.813 -3.271 -2.081 1.00 . A A . 4 PHE HA 1 1 30 2224 1 1 4 PHE HB2 H 3.394 -3.379 0.426 1.00 . A A . 4 PHE HB2 1 1 30 2225 1 1 4 PHE HB3 H 3.997 -2.008 -0.497 1.00 . A A . 4 PHE HB3 1 1 30 2226 1 1 4 PHE HD1 H 1.267 -3.061 1.781 1.00 . A A . 4 PHE HD1 1 1 30 2227 1 1 4 PHE HD2 H 3.522 0.169 0.173 1.00 . A A . 4 PHE HD2 1 1 30 2228 1 1 4 PHE HE1 H 0.205 -1.527 3.385 1.00 . A A . 4 PHE HE1 1 1 30 2229 1 1 4 PHE HE2 H 2.467 1.709 1.774 1.00 . A A . 4 PHE HE2 1 1 30 2230 1 1 4 PHE HZ H 0.805 0.861 3.383 1.00 . A A . 4 PHE HZ 1 1 30 2231 1 1 4 PHE N N 1.491 -1.712 -1.784 1.00 . A A . 4 PHE N 1 1 30 2232 1 1 4 PHE O O 1.462 -5.147 -1.020 1.00 . A A . 4 PHE O 1 1 30 2233 1 1 5 MET C C -2.046 -4.548 -0.761 1.00 . A A . 5 MET C 1 1 30 2234 1 1 5 MET CA C -0.905 -4.436 0.244 1.00 . A A . 5 MET CA 1 1 30 2235 1 1 5 MET CB C -1.442 -3.969 1.597 1.00 . A A . 5 MET CB 1 1 30 2236 1 1 5 MET CE C -2.302 -0.273 3.026 1.00 . A A . 5 MET CE 1 1 30 2237 1 1 5 MET CG C -2.124 -2.611 1.546 1.00 . A A . 5 MET CG 1 1 30 2238 1 1 5 MET H H -0.004 -2.554 -0.117 1.00 . A A . 5 MET H 1 1 30 2239 1 1 5 MET HA H -0.450 -5.409 0.364 1.00 . A A . 5 MET HA 1 1 30 2240 1 1 5 MET HB2 H -2.159 -4.693 1.957 1.00 . A A . 5 MET HB2 1 1 30 2241 1 1 5 MET HB3 H -0.622 -3.910 2.297 1.00 . A A . 5 MET HB3 1 1 30 2242 1 1 5 MET HE1 H -1.262 -0.084 3.246 1.00 . A A . 5 MET HE1 1 1 30 2243 1 1 5 MET HE2 H -2.922 0.271 3.722 1.00 . A A . 5 MET HE2 1 1 30 2244 1 1 5 MET HE3 H -2.521 0.051 2.018 1.00 . A A . 5 MET HE3 1 1 30 2245 1 1 5 MET HG2 H -1.436 -1.894 1.121 1.00 . A A . 5 MET HG2 1 1 30 2246 1 1 5 MET HG3 H -2.997 -2.685 0.914 1.00 . A A . 5 MET HG3 1 1 30 2247 1 1 5 MET N N 0.122 -3.519 -0.236 1.00 . A A . 5 MET N 1 1 30 2248 1 1 5 MET O O -2.669 -5.629 -0.830 1.00 . A A . 5 MET O 1 1 30 2249 1 1 5 MET OXT O -2.310 -3.553 -1.468 1.00 . A A . 5 MET OXT 1 1 30 2250 1 1 5 MET SD S -2.634 -2.027 3.173 1.00 . A A . 5 MET SD 1 1 31 2251 1 1 1 TYR C C 1.432 3.494 0.131 1.00 . A A . 1 TYR C 1 1 31 2252 1 1 1 TYR CA C 0.498 3.577 1.335 1.00 . A A . 1 TYR CA 1 1 31 2253 1 1 1 TYR CB C -0.619 4.588 1.067 1.00 . A A . 1 TYR CB 1 1 31 2254 1 1 1 TYR CD1 C -2.518 3.041 0.450 1.00 . A A . 1 TYR CD1 1 1 31 2255 1 1 1 TYR CD2 C -1.823 4.669 -1.146 1.00 . A A . 1 TYR CD2 1 1 31 2256 1 1 1 TYR CE1 C -3.480 2.583 -0.429 1.00 . A A . 1 TYR CE1 1 1 31 2257 1 1 1 TYR CE2 C -2.782 4.217 -2.031 1.00 . A A . 1 TYR CE2 1 1 31 2258 1 1 1 TYR CG C -1.675 4.090 0.107 1.00 . A A . 1 TYR CG 1 1 31 2259 1 1 1 TYR CZ C -3.608 3.174 -1.668 1.00 . A A . 1 TYR CZ 1 1 31 2260 1 1 1 TYR H1 H 1.757 3.175 2.913 1.00 . A A . 1 TYR H1 1 1 31 2261 1 1 1 TYR H2 H 0.530 4.325 3.253 1.00 . A A . 1 TYR H2 1 1 31 2262 1 1 1 TYR H3 H 1.880 4.767 2.289 1.00 . A A . 1 TYR H3 1 1 31 2263 1 1 1 TYR HA H 0.062 2.605 1.512 1.00 . A A . 1 TYR HA 1 1 31 2264 1 1 1 TYR HB2 H -1.107 4.832 1.998 1.00 . A A . 1 TYR HB2 1 1 31 2265 1 1 1 TYR HB3 H -0.186 5.484 0.647 1.00 . A A . 1 TYR HB3 1 1 31 2266 1 1 1 TYR HD1 H -2.414 2.579 1.421 1.00 . A A . 1 TYR HD1 1 1 31 2267 1 1 1 TYR HD2 H -1.174 5.484 -1.428 1.00 . A A . 1 TYR HD2 1 1 31 2268 1 1 1 TYR HE1 H -4.127 1.766 -0.145 1.00 . A A . 1 TYR HE1 1 1 31 2269 1 1 1 TYR HE2 H -2.881 4.680 -3.002 1.00 . A A . 1 TYR HE2 1 1 31 2270 1 1 1 TYR HH H -4.210 2.727 -3.439 1.00 . A A . 1 TYR HH 1 1 31 2271 1 1 1 TYR N N 1.233 3.998 2.558 1.00 . A A . 1 TYR N 1 1 31 2272 1 1 1 TYR O O 2.622 3.793 0.233 1.00 . A A . 1 TYR O 1 1 31 2273 1 1 1 TYR OH O -4.566 2.721 -2.547 1.00 . A A . 1 TYR OH 1 1 31 2274 1 1 2 GLY C C 1.239 1.802 -3.085 1.00 . A A . 2 GLY C 1 1 31 2275 1 1 2 GLY CA C 1.669 2.971 -2.219 1.00 . A A . 2 GLY CA 1 1 31 2276 1 1 2 GLY H H -0.068 2.865 -1.029 1.00 . A A . 2 GLY H 1 1 31 2277 1 1 2 GLY HA2 H 1.562 3.882 -2.788 1.00 . A A . 2 GLY HA2 1 1 31 2278 1 1 2 GLY HA3 H 2.706 2.845 -1.950 1.00 . A A . 2 GLY HA3 1 1 31 2279 1 1 2 GLY N N 0.882 3.088 -1.009 1.00 . A A . 2 GLY N 1 1 31 2280 1 1 2 GLY O O 1.544 1.758 -4.276 1.00 . A A . 2 GLY O 1 1 31 2281 1 1 3 GLY C C 0.889 -1.545 -2.939 1.00 . A A . 3 GLY C 1 1 31 2282 1 1 3 GLY CA C 0.064 -0.307 -3.226 1.00 . A A . 3 GLY CA 1 1 31 2283 1 1 3 GLY H H 0.310 0.940 -1.534 1.00 . A A . 3 GLY H 1 1 31 2284 1 1 3 GLY HA2 H -0.963 -0.505 -2.957 1.00 . A A . 3 GLY HA2 1 1 31 2285 1 1 3 GLY HA3 H 0.114 -0.091 -4.282 1.00 . A A . 3 GLY HA3 1 1 31 2286 1 1 3 GLY N N 0.525 0.852 -2.485 1.00 . A A . 3 GLY N 1 1 31 2287 1 1 3 GLY O O 1.116 -2.368 -3.825 1.00 . A A . 3 GLY O 1 1 31 2288 1 1 4 PHE C C 1.246 -3.956 -0.793 1.00 . A A . 4 PHE C 1 1 31 2289 1 1 4 PHE CA C 2.138 -2.826 -1.291 1.00 . A A . 4 PHE CA 1 1 31 2290 1 1 4 PHE CB C 3.130 -2.429 -0.196 1.00 . A A . 4 PHE CB 1 1 31 2291 1 1 4 PHE CD1 C 1.867 -2.113 1.949 1.00 . A A . 4 PHE CD1 1 1 31 2292 1 1 4 PHE CD2 C 2.643 -0.176 0.794 1.00 . A A . 4 PHE CD2 1 1 31 2293 1 1 4 PHE CE1 C 1.317 -1.310 2.931 1.00 . A A . 4 PHE CE1 1 1 31 2294 1 1 4 PHE CE2 C 2.097 0.631 1.773 1.00 . A A . 4 PHE CE2 1 1 31 2295 1 1 4 PHE CG C 2.534 -1.555 0.871 1.00 . A A . 4 PHE CG 1 1 31 2296 1 1 4 PHE CZ C 1.433 0.063 2.843 1.00 . A A . 4 PHE CZ 1 1 31 2297 1 1 4 PHE H H 1.118 -0.987 -1.035 1.00 . A A . 4 PHE H 1 1 31 2298 1 1 4 PHE HA H 2.687 -3.170 -2.155 1.00 . A A . 4 PHE HA 1 1 31 2299 1 1 4 PHE HB2 H 3.505 -3.321 0.279 1.00 . A A . 4 PHE HB2 1 1 31 2300 1 1 4 PHE HB3 H 3.953 -1.893 -0.645 1.00 . A A . 4 PHE HB3 1 1 31 2301 1 1 4 PHE HD1 H 1.776 -3.187 2.019 1.00 . A A . 4 PHE HD1 1 1 31 2302 1 1 4 PHE HD2 H 3.161 0.269 -0.042 1.00 . A A . 4 PHE HD2 1 1 31 2303 1 1 4 PHE HE1 H 0.799 -1.757 3.766 1.00 . A A . 4 PHE HE1 1 1 31 2304 1 1 4 PHE HE2 H 2.188 1.704 1.701 1.00 . A A . 4 PHE HE2 1 1 31 2305 1 1 4 PHE HZ H 1.004 0.692 3.609 1.00 . A A . 4 PHE HZ 1 1 31 2306 1 1 4 PHE N N 1.336 -1.678 -1.696 1.00 . A A . 4 PHE N 1 1 31 2307 1 1 4 PHE O O 1.502 -5.130 -1.059 1.00 . A A . 4 PHE O 1 1 31 2308 1 1 5 MET C C -1.557 -5.212 -0.639 1.00 . A A . 5 MET C 1 1 31 2309 1 1 5 MET CA C -0.739 -4.568 0.475 1.00 . A A . 5 MET CA 1 1 31 2310 1 1 5 MET CB C -1.671 -3.905 1.490 1.00 . A A . 5 MET CB 1 1 31 2311 1 1 5 MET CE C -3.125 -0.160 1.329 1.00 . A A . 5 MET CE 1 1 31 2312 1 1 5 MET CG C -2.570 -2.838 0.885 1.00 . A A . 5 MET CG 1 1 31 2313 1 1 5 MET H H 0.050 -2.637 0.111 1.00 . A A . 5 MET H 1 1 31 2314 1 1 5 MET HA H -0.167 -5.335 0.974 1.00 . A A . 5 MET HA 1 1 31 2315 1 1 5 MET HB2 H -2.298 -4.663 1.936 1.00 . A A . 5 MET HB2 1 1 31 2316 1 1 5 MET HB3 H -1.074 -3.445 2.263 1.00 . A A . 5 MET HB3 1 1 31 2317 1 1 5 MET HE1 H -2.080 0.041 1.145 1.00 . A A . 5 MET HE1 1 1 31 2318 1 1 5 MET HE2 H -3.532 0.609 1.968 1.00 . A A . 5 MET HE2 1 1 31 2319 1 1 5 MET HE3 H -3.660 -0.169 0.391 1.00 . A A . 5 MET HE3 1 1 31 2320 1 1 5 MET HG2 H -1.986 -2.240 0.202 1.00 . A A . 5 MET HG2 1 1 31 2321 1 1 5 MET HG3 H -3.367 -3.324 0.343 1.00 . A A . 5 MET HG3 1 1 31 2322 1 1 5 MET N N 0.197 -3.589 -0.066 1.00 . A A . 5 MET N 1 1 31 2323 1 1 5 MET O O -2.249 -4.471 -1.368 1.00 . A A . 5 MET O 1 1 31 2324 1 1 5 MET OXT O -1.498 -6.453 -0.774 1.00 . A A . 5 MET OXT 1 1 31 2325 1 1 5 MET SD S -3.295 -1.753 2.129 1.00 . A A . 5 MET SD 1 1 32 2326 1 1 1 TYR C C 1.465 3.490 0.150 1.00 . A A . 1 TYR C 1 1 32 2327 1 1 1 TYR CA C 0.463 3.477 1.301 1.00 . A A . 1 TYR CA 1 1 32 2328 1 1 1 TYR CB C -0.708 4.409 0.985 1.00 . A A . 1 TYR CB 1 1 32 2329 1 1 1 TYR CD1 C -2.590 2.827 0.416 1.00 . A A . 1 TYR CD1 1 1 32 2330 1 1 1 TYR CD2 C -1.766 4.263 -1.299 1.00 . A A . 1 TYR CD2 1 1 32 2331 1 1 1 TYR CE1 C -3.504 2.287 -0.470 1.00 . A A . 1 TYR CE1 1 1 32 2332 1 1 1 TYR CE2 C -2.675 3.728 -2.191 1.00 . A A . 1 TYR CE2 1 1 32 2333 1 1 1 TYR CG C -1.709 3.823 0.017 1.00 . A A . 1 TYR CG 1 1 32 2334 1 1 1 TYR CZ C -3.541 2.740 -1.773 1.00 . A A . 1 TYR CZ 1 1 32 2335 1 1 1 TYR H1 H 1.410 4.904 2.441 1.00 . A A . 1 TYR H1 1 1 32 2336 1 1 1 TYR H2 H 1.900 3.291 2.761 1.00 . A A . 1 TYR H2 1 1 32 2337 1 1 1 TYR H3 H 0.379 3.855 3.321 1.00 . A A . 1 TYR H3 1 1 32 2338 1 1 1 TYR HA H 0.092 2.472 1.434 1.00 . A A . 1 TYR HA 1 1 32 2339 1 1 1 TYR HB2 H -1.229 4.645 1.900 1.00 . A A . 1 TYR HB2 1 1 32 2340 1 1 1 TYR HB3 H -0.323 5.319 0.551 1.00 . A A . 1 TYR HB3 1 1 32 2341 1 1 1 TYR HD1 H -2.558 2.475 1.436 1.00 . A A . 1 TYR HD1 1 1 32 2342 1 1 1 TYR HD2 H -1.087 5.038 -1.623 1.00 . A A . 1 TYR HD2 1 1 32 2343 1 1 1 TYR HE1 H -4.181 1.513 -0.142 1.00 . A A . 1 TYR HE1 1 1 32 2344 1 1 1 TYR HE2 H -2.700 4.083 -3.210 1.00 . A A . 1 TYR HE2 1 1 32 2345 1 1 1 TYR HH H -3.978 1.750 -3.362 1.00 . A A . 1 TYR HH 1 1 32 2346 1 1 1 TYR N N 1.095 3.922 2.570 1.00 . A A . 1 TYR N 1 1 32 2347 1 1 1 TYR O O 2.609 3.912 0.312 1.00 . A A . 1 TYR O 1 1 32 2348 1 1 1 TYR OH O -4.448 2.204 -2.658 1.00 . A A . 1 TYR OH 1 1 32 2349 1 1 2 GLY C C 1.521 1.869 -3.132 1.00 . A A . 2 GLY C 1 1 32 2350 1 1 2 GLY CA C 1.877 2.995 -2.180 1.00 . A A . 2 GLY CA 1 1 32 2351 1 1 2 GLY H H 0.101 2.709 -1.082 1.00 . A A . 2 GLY H 1 1 32 2352 1 1 2 GLY HA2 H 1.781 3.933 -2.702 1.00 . A A . 2 GLY HA2 1 1 32 2353 1 1 2 GLY HA3 H 2.900 2.872 -1.859 1.00 . A A . 2 GLY HA3 1 1 32 2354 1 1 2 GLY N N 1.020 3.027 -1.014 1.00 . A A . 2 GLY N 1 1 32 2355 1 1 2 GLY O O 1.850 1.924 -4.318 1.00 . A A . 2 GLY O 1 1 32 2356 1 1 3 GLY C C 1.097 -1.580 -3.017 1.00 . A A . 3 GLY C 1 1 32 2357 1 1 3 GLY CA C 0.452 -0.277 -3.448 1.00 . A A . 3 GLY CA 1 1 32 2358 1 1 3 GLY H H 0.605 0.857 -1.666 1.00 . A A . 3 GLY H 1 1 32 2359 1 1 3 GLY HA2 H -0.621 -0.389 -3.397 1.00 . A A . 3 GLY HA2 1 1 32 2360 1 1 3 GLY HA3 H 0.733 -0.070 -4.470 1.00 . A A . 3 GLY HA3 1 1 32 2361 1 1 3 GLY N N 0.844 0.847 -2.617 1.00 . A A . 3 GLY N 1 1 32 2362 1 1 3 GLY O O 1.287 -2.484 -3.831 1.00 . A A . 3 GLY O 1 1 32 2363 1 1 4 PHE C C 1.004 -3.908 -0.798 1.00 . A A . 4 PHE C 1 1 32 2364 1 1 4 PHE CA C 2.059 -2.886 -1.204 1.00 . A A . 4 PHE CA 1 1 32 2365 1 1 4 PHE CB C 2.945 -2.553 -0.002 1.00 . A A . 4 PHE CB 1 1 32 2366 1 1 4 PHE CD1 C 1.435 -1.921 1.900 1.00 . A A . 4 PHE CD1 1 1 32 2367 1 1 4 PHE CD2 C 2.715 -0.205 0.851 1.00 . A A . 4 PHE CD2 1 1 32 2368 1 1 4 PHE CE1 C 0.892 -0.991 2.765 1.00 . A A . 4 PHE CE1 1 1 32 2369 1 1 4 PHE CE2 C 2.175 0.730 1.712 1.00 . A A . 4 PHE CE2 1 1 32 2370 1 1 4 PHE CG C 2.352 -1.539 0.934 1.00 . A A . 4 PHE CG 1 1 32 2371 1 1 4 PHE CZ C 1.262 0.338 2.671 1.00 . A A . 4 PHE CZ 1 1 32 2372 1 1 4 PHE H H 1.256 -0.927 -1.135 1.00 . A A . 4 PHE H 1 1 32 2373 1 1 4 PHE HA H 2.672 -3.311 -1.984 1.00 . A A . 4 PHE HA 1 1 32 2374 1 1 4 PHE HB2 H 3.123 -3.455 0.561 1.00 . A A . 4 PHE HB2 1 1 32 2375 1 1 4 PHE HB3 H 3.888 -2.165 -0.358 1.00 . A A . 4 PHE HB3 1 1 32 2376 1 1 4 PHE HD1 H 1.145 -2.959 1.975 1.00 . A A . 4 PHE HD1 1 1 32 2377 1 1 4 PHE HD2 H 3.430 0.103 0.101 1.00 . A A . 4 PHE HD2 1 1 32 2378 1 1 4 PHE HE1 H 0.177 -1.300 3.514 1.00 . A A . 4 PHE HE1 1 1 32 2379 1 1 4 PHE HE2 H 2.467 1.767 1.636 1.00 . A A . 4 PHE HE2 1 1 32 2380 1 1 4 PHE HZ H 0.839 1.066 3.346 1.00 . A A . 4 PHE HZ 1 1 32 2381 1 1 4 PHE N N 1.435 -1.679 -1.735 1.00 . A A . 4 PHE N 1 1 32 2382 1 1 4 PHE O O 1.189 -5.111 -0.972 1.00 . A A . 4 PHE O 1 1 32 2383 1 1 5 MET C C -1.866 -4.946 -1.021 1.00 . A A . 5 MET C 1 1 32 2384 1 1 5 MET CA C -1.194 -4.281 0.176 1.00 . A A . 5 MET CA 1 1 32 2385 1 1 5 MET CB C -2.227 -3.480 0.971 1.00 . A A . 5 MET CB 1 1 32 2386 1 1 5 MET CE C -2.628 -0.054 2.691 1.00 . A A . 5 MET CE 1 1 32 2387 1 1 5 MET CG C -1.613 -2.537 1.993 1.00 . A A . 5 MET CG 1 1 32 2388 1 1 5 MET H H -0.187 -2.446 -0.145 1.00 . A A . 5 MET H 1 1 32 2389 1 1 5 MET HA H -0.777 -5.047 0.813 1.00 . A A . 5 MET HA 1 1 32 2390 1 1 5 MET HB2 H -2.818 -2.895 0.283 1.00 . A A . 5 MET HB2 1 1 32 2391 1 1 5 MET HB3 H -2.874 -4.168 1.493 1.00 . A A . 5 MET HB3 1 1 32 2392 1 1 5 MET HE1 H -1.782 0.333 3.239 1.00 . A A . 5 MET HE1 1 1 32 2393 1 1 5 MET HE2 H -3.517 0.491 2.971 1.00 . A A . 5 MET HE2 1 1 32 2394 1 1 5 MET HE3 H -2.454 0.061 1.631 1.00 . A A . 5 MET HE3 1 1 32 2395 1 1 5 MET HG2 H -0.910 -3.090 2.598 1.00 . A A . 5 MET HG2 1 1 32 2396 1 1 5 MET HG3 H -1.092 -1.749 1.467 1.00 . A A . 5 MET HG3 1 1 32 2397 1 1 5 MET N N -0.103 -3.415 -0.257 1.00 . A A . 5 MET N 1 1 32 2398 1 1 5 MET O O -2.183 -6.150 -0.926 1.00 . A A . 5 MET O 1 1 32 2399 1 1 5 MET OXT O -2.069 -4.257 -2.043 1.00 . A A . 5 MET OXT 1 1 32 2400 1 1 5 MET SD S -2.845 -1.790 3.076 1.00 . A A . 5 MET SD 1 1 33 2401 1 1 1 TYR C C 1.043 3.102 0.567 1.00 . A A . 1 TYR C 1 1 33 2402 1 1 1 TYR CA C -0.072 2.813 1.566 1.00 . A A . 1 TYR CA 1 1 33 2403 1 1 1 TYR CB C -1.337 3.577 1.170 1.00 . A A . 1 TYR CB 1 1 33 2404 1 1 1 TYR CD1 C -2.792 1.778 0.157 1.00 . A A . 1 TYR CD1 1 1 33 2405 1 1 1 TYR CD2 C -2.066 3.564 -1.243 1.00 . A A . 1 TYR CD2 1 1 33 2406 1 1 1 TYR CE1 C -3.468 1.212 -0.908 1.00 . A A . 1 TYR CE1 1 1 33 2407 1 1 1 TYR CE2 C -2.737 3.006 -2.313 1.00 . A A . 1 TYR CE2 1 1 33 2408 1 1 1 TYR CG C -2.082 2.961 0.007 1.00 . A A . 1 TYR CG 1 1 33 2409 1 1 1 TYR CZ C -3.437 1.831 -2.141 1.00 . A A . 1 TYR CZ 1 1 33 2410 1 1 1 TYR H1 H 0.949 2.486 3.321 1.00 . A A . 1 TYR H1 1 1 33 2411 1 1 1 TYR H2 H -0.553 3.292 3.508 1.00 . A A . 1 TYR H2 1 1 33 2412 1 1 1 TYR H3 H 0.803 4.135 2.878 1.00 . A A . 1 TYR H3 1 1 33 2413 1 1 1 TYR HA H -0.281 1.754 1.563 1.00 . A A . 1 TYR HA 1 1 33 2414 1 1 1 TYR HB2 H -2.010 3.610 2.014 1.00 . A A . 1 TYR HB2 1 1 33 2415 1 1 1 TYR HB3 H -1.066 4.584 0.893 1.00 . A A . 1 TYR HB3 1 1 33 2416 1 1 1 TYR HD1 H -2.814 1.297 1.123 1.00 . A A . 1 TYR HD1 1 1 33 2417 1 1 1 TYR HD2 H -1.516 4.485 -1.376 1.00 . A A . 1 TYR HD2 1 1 33 2418 1 1 1 TYR HE1 H -4.016 0.292 -0.773 1.00 . A A . 1 TYR HE1 1 1 33 2419 1 1 1 TYR HE2 H -2.710 3.490 -3.278 1.00 . A A . 1 TYR HE2 1 1 33 2420 1 1 1 TYR HH H -3.510 1.185 -3.950 1.00 . A A . 1 TYR HH 1 1 33 2421 1 1 1 TYR N N 0.316 3.218 2.942 1.00 . A A . 1 TYR N 1 1 33 2422 1 1 1 TYR O O 2.077 3.671 0.921 1.00 . A A . 1 TYR O 1 1 33 2423 1 1 1 TYR OH O -4.108 1.271 -3.204 1.00 . A A . 1 TYR OH 1 1 33 2424 1 1 2 GLY C C 1.720 1.904 -2.831 1.00 . A A . 2 GLY C 1 1 33 2425 1 1 2 GLY CA C 1.805 2.931 -1.720 1.00 . A A . 2 GLY CA 1 1 33 2426 1 1 2 GLY H H -0.017 2.266 -0.901 1.00 . A A . 2 GLY H 1 1 33 2427 1 1 2 GLY HA2 H 1.644 3.911 -2.140 1.00 . A A . 2 GLY HA2 1 1 33 2428 1 1 2 GLY HA3 H 2.790 2.894 -1.282 1.00 . A A . 2 GLY HA3 1 1 33 2429 1 1 2 GLY N N 0.823 2.709 -0.682 1.00 . A A . 2 GLY N 1 1 33 2430 1 1 2 GLY O O 2.169 2.153 -3.950 1.00 . A A . 2 GLY O 1 1 33 2431 1 1 3 GLY C C 1.193 -1.692 -2.950 1.00 . A A . 3 GLY C 1 1 33 2432 1 1 3 GLY CA C 1.006 -0.299 -3.524 1.00 . A A . 3 GLY CA 1 1 33 2433 1 1 3 GLY H H 0.797 0.602 -1.620 1.00 . A A . 3 GLY H 1 1 33 2434 1 1 3 GLY HA2 H 0.022 -0.236 -3.962 1.00 . A A . 3 GLY HA2 1 1 33 2435 1 1 3 GLY HA3 H 1.743 -0.140 -4.296 1.00 . A A . 3 GLY HA3 1 1 33 2436 1 1 3 GLY N N 1.139 0.746 -2.527 1.00 . A A . 3 GLY N 1 1 33 2437 1 1 3 GLY O O 0.894 -2.685 -3.612 1.00 . A A . 3 GLY O 1 1 33 2438 1 1 4 PHE C C 0.583 -3.699 -0.674 1.00 . A A . 4 PHE C 1 1 33 2439 1 1 4 PHE CA C 1.908 -3.057 -1.068 1.00 . A A . 4 PHE CA 1 1 33 2440 1 1 4 PHE CB C 2.803 -2.907 0.167 1.00 . A A . 4 PHE CB 1 1 33 2441 1 1 4 PHE CD1 C 1.815 -1.268 1.796 1.00 . A A . 4 PHE CD1 1 1 33 2442 1 1 4 PHE CD2 C 3.661 -0.566 0.459 1.00 . A A . 4 PHE CD2 1 1 33 2443 1 1 4 PHE CE1 C 1.776 -0.025 2.398 1.00 . A A . 4 PHE CE1 1 1 33 2444 1 1 4 PHE CE2 C 3.626 0.678 1.058 1.00 . A A . 4 PHE CE2 1 1 33 2445 1 1 4 PHE CG C 2.757 -1.553 0.820 1.00 . A A . 4 PHE CG 1 1 33 2446 1 1 4 PHE CZ C 2.683 0.949 2.029 1.00 . A A . 4 PHE CZ 1 1 33 2447 1 1 4 PHE H H 1.908 -0.947 -1.237 1.00 . A A . 4 PHE H 1 1 33 2448 1 1 4 PHE HA H 2.403 -3.701 -1.780 1.00 . A A . 4 PHE HA 1 1 33 2449 1 1 4 PHE HB2 H 2.500 -3.632 0.905 1.00 . A A . 4 PHE HB2 1 1 33 2450 1 1 4 PHE HB3 H 3.824 -3.100 -0.119 1.00 . A A . 4 PHE HB3 1 1 33 2451 1 1 4 PHE HD1 H 1.105 -2.029 2.084 1.00 . A A . 4 PHE HD1 1 1 33 2452 1 1 4 PHE HD2 H 4.400 -0.778 -0.300 1.00 . A A . 4 PHE HD2 1 1 33 2453 1 1 4 PHE HE1 H 1.038 0.184 3.157 1.00 . A A . 4 PHE HE1 1 1 33 2454 1 1 4 PHE HE2 H 4.336 1.438 0.767 1.00 . A A . 4 PHE HE2 1 1 33 2455 1 1 4 PHE HZ H 2.655 1.921 2.499 1.00 . A A . 4 PHE HZ 1 1 33 2456 1 1 4 PHE N N 1.688 -1.770 -1.718 1.00 . A A . 4 PHE N 1 1 33 2457 1 1 4 PHE O O 0.455 -4.922 -0.657 1.00 . A A . 4 PHE O 1 1 33 2458 1 1 5 MET C C -2.426 -4.008 -1.139 1.00 . A A . 5 MET C 1 1 33 2459 1 1 5 MET CA C -1.715 -3.345 0.037 1.00 . A A . 5 MET CA 1 1 33 2460 1 1 5 MET CB C -2.566 -2.193 0.575 1.00 . A A . 5 MET CB 1 1 33 2461 1 1 5 MET CE C -1.491 0.192 3.827 1.00 . A A . 5 MET CE 1 1 33 2462 1 1 5 MET CG C -1.801 -1.240 1.479 1.00 . A A . 5 MET CG 1 1 33 2463 1 1 5 MET H H -0.229 -1.898 -0.391 1.00 . A A . 5 MET H 1 1 33 2464 1 1 5 MET HA H -1.580 -4.077 0.819 1.00 . A A . 5 MET HA 1 1 33 2465 1 1 5 MET HB2 H -2.956 -1.629 -0.259 1.00 . A A . 5 MET HB2 1 1 33 2466 1 1 5 MET HB3 H -3.393 -2.603 1.137 1.00 . A A . 5 MET HB3 1 1 33 2467 1 1 5 MET HE1 H -0.864 0.662 3.085 1.00 . A A . 5 MET HE1 1 1 33 2468 1 1 5 MET HE2 H -0.879 -0.390 4.501 1.00 . A A . 5 MET HE2 1 1 33 2469 1 1 5 MET HE3 H -2.019 0.951 4.386 1.00 . A A . 5 MET HE3 1 1 33 2470 1 1 5 MET HG2 H -0.846 -1.683 1.719 1.00 . A A . 5 MET HG2 1 1 33 2471 1 1 5 MET HG3 H -1.641 -0.312 0.948 1.00 . A A . 5 MET HG3 1 1 33 2472 1 1 5 MET N N -0.397 -2.862 -0.359 1.00 . A A . 5 MET N 1 1 33 2473 1 1 5 MET O O -3.057 -5.065 -0.928 1.00 . A A . 5 MET O 1 1 33 2474 1 1 5 MET OXT O -2.346 -3.463 -2.260 1.00 . A A . 5 MET OXT 1 1 33 2475 1 1 5 MET SD S -2.672 -0.882 3.016 1.00 . A A . 5 MET SD 1 1 34 2476 1 1 1 TYR C C 1.396 3.355 0.207 1.00 . A A . 1 TYR C 1 1 34 2477 1 1 1 TYR CA C 0.430 3.235 1.383 1.00 . A A . 1 TYR CA 1 1 34 2478 1 1 1 TYR CB C -0.814 4.089 1.129 1.00 . A A . 1 TYR CB 1 1 34 2479 1 1 1 TYR CD1 C -2.556 2.373 0.497 1.00 . A A . 1 TYR CD1 1 1 34 2480 1 1 1 TYR CD2 C -1.924 3.993 -1.132 1.00 . A A . 1 TYR CD2 1 1 34 2481 1 1 1 TYR CE1 C -3.439 1.808 -0.402 1.00 . A A . 1 TYR CE1 1 1 34 2482 1 1 1 TYR CE2 C -2.804 3.434 -2.037 1.00 . A A . 1 TYR CE2 1 1 34 2483 1 1 1 TYR CG C -1.785 3.474 0.148 1.00 . A A . 1 TYR CG 1 1 34 2484 1 1 1 TYR CZ C -3.560 2.343 -1.667 1.00 . A A . 1 TYR CZ 1 1 34 2485 1 1 1 TYR H1 H 1.066 4.724 2.652 1.00 . A A . 1 TYR H1 1 1 34 2486 1 1 1 TYR H2 H 2.036 3.308 2.668 1.00 . A A . 1 TYR H2 1 1 34 2487 1 1 1 TYR H3 H 0.501 3.309 3.438 1.00 . A A . 1 TYR H3 1 1 34 2488 1 1 1 TYR HA H 0.135 2.202 1.493 1.00 . A A . 1 TYR HA 1 1 34 2489 1 1 1 TYR HB2 H -1.335 4.240 2.062 1.00 . A A . 1 TYR HB2 1 1 34 2490 1 1 1 TYR HB3 H -0.506 5.045 0.736 1.00 . A A . 1 TYR HB3 1 1 34 2491 1 1 1 TYR HD1 H -2.458 1.957 1.489 1.00 . A A . 1 TYR HD1 1 1 34 2492 1 1 1 TYR HD2 H -1.329 4.848 -1.420 1.00 . A A . 1 TYR HD2 1 1 34 2493 1 1 1 TYR HE1 H -4.031 0.953 -0.112 1.00 . A A . 1 TYR HE1 1 1 34 2494 1 1 1 TYR HE2 H -2.896 3.852 -3.028 1.00 . A A . 1 TYR HE2 1 1 34 2495 1 1 1 TYR HH H -4.178 0.877 -2.748 1.00 . A A . 1 TYR HH 1 1 34 2496 1 1 1 TYR N N 1.066 3.685 2.650 1.00 . A A . 1 TYR N 1 1 34 2497 1 1 1 TYR O O 2.517 3.839 0.357 1.00 . A A . 1 TYR O 1 1 34 2498 1 1 1 TYR OH O -4.440 1.783 -2.565 1.00 . A A . 1 TYR OH 1 1 34 2499 1 1 2 GLY C C 1.473 1.862 -3.131 1.00 . A A . 2 GLY C 1 1 34 2500 1 1 2 GLY CA C 1.774 2.978 -2.150 1.00 . A A . 2 GLY CA 1 1 34 2501 1 1 2 GLY H H 0.049 2.541 -1.021 1.00 . A A . 2 GLY H 1 1 34 2502 1 1 2 GLY HA2 H 1.599 3.925 -2.637 1.00 . A A . 2 GLY HA2 1 1 34 2503 1 1 2 GLY HA3 H 2.811 2.919 -1.858 1.00 . A A . 2 GLY HA3 1 1 34 2504 1 1 2 GLY N N 0.948 2.913 -0.963 1.00 . A A . 2 GLY N 1 1 34 2505 1 1 2 GLY O O 1.779 1.971 -4.318 1.00 . A A . 2 GLY O 1 1 34 2506 1 1 3 GLY C C 1.089 -1.656 -2.995 1.00 . A A . 3 GLY C 1 1 34 2507 1 1 3 GLY CA C 0.528 -0.337 -3.493 1.00 . A A . 3 GLY CA 1 1 34 2508 1 1 3 GLY H H 0.642 0.756 -1.683 1.00 . A A . 3 GLY H 1 1 34 2509 1 1 3 GLY HA2 H -0.547 -0.418 -3.548 1.00 . A A . 3 GLY HA2 1 1 34 2510 1 1 3 GLY HA3 H 0.914 -0.147 -4.485 1.00 . A A . 3 GLY HA3 1 1 34 2511 1 1 3 GLY N N 0.867 0.786 -2.636 1.00 . A A . 3 GLY N 1 1 34 2512 1 1 3 GLY O O 0.991 -2.673 -3.681 1.00 . A A . 3 GLY O 1 1 34 2513 1 1 4 PHE C C 1.130 -3.801 -0.766 1.00 . A A . 4 PHE C 1 1 34 2514 1 1 4 PHE CA C 2.236 -2.858 -1.221 1.00 . A A . 4 PHE CA 1 1 34 2515 1 1 4 PHE CB C 3.144 -2.517 -0.038 1.00 . A A . 4 PHE CB 1 1 34 2516 1 1 4 PHE CD1 C 1.622 -1.818 1.830 1.00 . A A . 4 PHE CD1 1 1 34 2517 1 1 4 PHE CD2 C 2.994 -0.159 0.805 1.00 . A A . 4 PHE CD2 1 1 34 2518 1 1 4 PHE CE1 C 1.097 -0.864 2.680 1.00 . A A . 4 PHE CE1 1 1 34 2519 1 1 4 PHE CE2 C 2.473 0.800 1.652 1.00 . A A . 4 PHE CE2 1 1 34 2520 1 1 4 PHE CG C 2.575 -1.477 0.884 1.00 . A A . 4 PHE CG 1 1 34 2521 1 1 4 PHE CZ C 1.523 0.447 2.591 1.00 . A A . 4 PHE CZ 1 1 34 2522 1 1 4 PHE H H 1.716 -0.808 -1.295 1.00 . A A . 4 PHE H 1 1 34 2523 1 1 4 PHE HA H 2.822 -3.350 -1.984 1.00 . A A . 4 PHE HA 1 1 34 2524 1 1 4 PHE HB2 H 3.315 -3.412 0.541 1.00 . A A . 4 PHE HB2 1 1 34 2525 1 1 4 PHE HB3 H 4.088 -2.151 -0.413 1.00 . A A . 4 PHE HB3 1 1 34 2526 1 1 4 PHE HD1 H 1.289 -2.843 1.900 1.00 . A A . 4 PHE HD1 1 1 34 2527 1 1 4 PHE HD2 H 3.736 0.118 0.071 1.00 . A A . 4 PHE HD2 1 1 34 2528 1 1 4 PHE HE1 H 0.355 -1.142 3.413 1.00 . A A . 4 PHE HE1 1 1 34 2529 1 1 4 PHE HE2 H 2.808 1.825 1.580 1.00 . A A . 4 PHE HE2 1 1 34 2530 1 1 4 PHE HZ H 1.114 1.195 3.254 1.00 . A A . 4 PHE HZ 1 1 34 2531 1 1 4 PHE N N 1.671 -1.646 -1.800 1.00 . A A . 4 PHE N 1 1 34 2532 1 1 4 PHE O O 1.237 -5.019 -0.907 1.00 . A A . 4 PHE O 1 1 34 2533 1 1 5 MET C C -1.983 -4.395 -0.899 1.00 . A A . 5 MET C 1 1 34 2534 1 1 5 MET CA C -1.068 -4.002 0.256 1.00 . A A . 5 MET CA 1 1 34 2535 1 1 5 MET CB C -1.857 -3.207 1.299 1.00 . A A . 5 MET CB 1 1 34 2536 1 1 5 MET CE C -2.372 -0.644 3.227 1.00 . A A . 5 MET CE 1 1 34 2537 1 1 5 MET CG C -2.439 -1.909 0.763 1.00 . A A . 5 MET CG 1 1 34 2538 1 1 5 MET H H 0.046 -2.246 -0.142 1.00 . A A . 5 MET H 1 1 34 2539 1 1 5 MET HA H -0.684 -4.900 0.716 1.00 . A A . 5 MET HA 1 1 34 2540 1 1 5 MET HB2 H -2.672 -3.819 1.659 1.00 . A A . 5 MET HB2 1 1 34 2541 1 1 5 MET HB3 H -1.203 -2.971 2.125 1.00 . A A . 5 MET HB3 1 1 34 2542 1 1 5 MET HE1 H -1.642 -1.431 3.347 1.00 . A A . 5 MET HE1 1 1 34 2543 1 1 5 MET HE2 H -2.901 -0.500 4.158 1.00 . A A . 5 MET HE2 1 1 34 2544 1 1 5 MET HE3 H -1.872 0.272 2.950 1.00 . A A . 5 MET HE3 1 1 34 2545 1 1 5 MET HG2 H -1.626 -1.236 0.529 1.00 . A A . 5 MET HG2 1 1 34 2546 1 1 5 MET HG3 H -2.996 -2.124 -0.137 1.00 . A A . 5 MET HG3 1 1 34 2547 1 1 5 MET N N 0.067 -3.223 -0.223 1.00 . A A . 5 MET N 1 1 34 2548 1 1 5 MET O O -2.175 -3.563 -1.810 1.00 . A A . 5 MET O 1 1 34 2549 1 1 5 MET OXT O -2.501 -5.532 -0.882 1.00 . A A . 5 MET OXT 1 1 34 2550 1 1 5 MET SD S -3.535 -1.100 1.944 1.00 . A A . 5 MET SD 1 1 35 2551 1 1 1 TYR C C 1.250 3.291 0.367 1.00 . A A . 1 TYR C 1 1 35 2552 1 1 1 TYR CA C 0.211 3.094 1.465 1.00 . A A . 1 TYR CA 1 1 35 2553 1 1 1 TYR CB C -1.057 3.883 1.134 1.00 . A A . 1 TYR CB 1 1 35 2554 1 1 1 TYR CD1 C -2.636 2.095 0.303 1.00 . A A . 1 TYR CD1 1 1 35 2555 1 1 1 TYR CD2 C -1.968 3.805 -1.217 1.00 . A A . 1 TYR CD2 1 1 35 2556 1 1 1 TYR CE1 C -3.405 1.511 -0.686 1.00 . A A . 1 TYR CE1 1 1 35 2557 1 1 1 TYR CE2 C -2.735 3.229 -2.210 1.00 . A A . 1 TYR CE2 1 1 35 2558 1 1 1 TYR CG C -1.905 3.249 0.054 1.00 . A A . 1 TYR CG 1 1 35 2559 1 1 1 TYR CZ C -3.452 2.082 -1.940 1.00 . A A . 1 TYR CZ 1 1 35 2560 1 1 1 TYR H1 H 1.718 3.247 2.856 1.00 . A A . 1 TYR H1 1 1 35 2561 1 1 1 TYR H2 H 0.141 3.108 3.520 1.00 . A A . 1 TYR H2 1 1 35 2562 1 1 1 TYR H3 H 0.649 4.586 2.811 1.00 . A A . 1 TYR H3 1 1 35 2563 1 1 1 TYR HA H -0.033 2.044 1.535 1.00 . A A . 1 TYR HA 1 1 35 2564 1 1 1 TYR HB2 H -1.662 3.972 2.022 1.00 . A A . 1 TYR HB2 1 1 35 2565 1 1 1 TYR HB3 H -0.775 4.869 0.795 1.00 . A A . 1 TYR HB3 1 1 35 2566 1 1 1 TYR HD1 H -2.596 1.649 1.286 1.00 . A A . 1 TYR HD1 1 1 35 2567 1 1 1 TYR HD2 H -1.405 4.702 -1.426 1.00 . A A . 1 TYR HD2 1 1 35 2568 1 1 1 TYR HE1 H -3.967 0.613 -0.473 1.00 . A A . 1 TYR HE1 1 1 35 2569 1 1 1 TYR HE2 H -2.769 3.676 -3.192 1.00 . A A . 1 TYR HE2 1 1 35 2570 1 1 1 TYR HH H -3.671 0.917 -3.453 1.00 . A A . 1 TYR HH 1 1 35 2571 1 1 1 TYR N N 0.726 3.550 2.782 1.00 . A A . 1 TYR N 1 1 35 2572 1 1 1 TYR O O 2.329 3.833 0.609 1.00 . A A . 1 TYR O 1 1 35 2573 1 1 1 TYR OH O -4.218 1.505 -2.927 1.00 . A A . 1 TYR OH 1 1 35 2574 1 1 2 GLY C C 1.592 1.930 -3.025 1.00 . A A . 2 GLY C 1 1 35 2575 1 1 2 GLY CA C 1.819 2.987 -1.961 1.00 . A A . 2 GLY CA 1 1 35 2576 1 1 2 GLY H H 0.045 2.434 -0.971 1.00 . A A . 2 GLY H 1 1 35 2577 1 1 2 GLY HA2 H 1.673 3.961 -2.403 1.00 . A A . 2 GLY HA2 1 1 35 2578 1 1 2 GLY HA3 H 2.833 2.912 -1.604 1.00 . A A . 2 GLY HA3 1 1 35 2579 1 1 2 GLY N N 0.915 2.851 -0.840 1.00 . A A . 2 GLY N 1 1 35 2580 1 1 2 GLY O O 1.956 2.121 -4.185 1.00 . A A . 2 GLY O 1 1 35 2581 1 1 3 GLY C C 1.108 -1.625 -3.045 1.00 . A A . 3 GLY C 1 1 35 2582 1 1 3 GLY CA C 0.718 -0.256 -3.574 1.00 . A A . 3 GLY CA 1 1 35 2583 1 1 3 GLY H H 0.714 0.718 -1.696 1.00 . A A . 3 GLY H 1 1 35 2584 1 1 3 GLY HA2 H -0.338 -0.263 -3.800 1.00 . A A . 3 GLY HA2 1 1 35 2585 1 1 3 GLY HA3 H 1.268 -0.066 -4.484 1.00 . A A . 3 GLY HA3 1 1 35 2586 1 1 3 GLY N N 0.985 0.814 -2.631 1.00 . A A . 3 GLY N 1 1 35 2587 1 1 3 GLY O O 0.878 -2.638 -3.705 1.00 . A A . 3 GLY O 1 1 35 2588 1 1 4 PHE C C 0.887 -3.736 -0.832 1.00 . A A . 4 PHE C 1 1 35 2589 1 1 4 PHE CA C 2.105 -2.923 -1.247 1.00 . A A . 4 PHE CA 1 1 35 2590 1 1 4 PHE CB C 2.996 -2.675 -0.029 1.00 . A A . 4 PHE CB 1 1 35 2591 1 1 4 PHE CD1 C 1.539 -1.781 1.809 1.00 . A A . 4 PHE CD1 1 1 35 2592 1 1 4 PHE CD2 C 3.063 -0.289 0.744 1.00 . A A . 4 PHE CD2 1 1 35 2593 1 1 4 PHE CE1 C 1.104 -0.756 2.629 1.00 . A A . 4 PHE CE1 1 1 35 2594 1 1 4 PHE CE2 C 2.633 0.740 1.560 1.00 . A A . 4 PHE CE2 1 1 35 2595 1 1 4 PHE CG C 2.522 -1.559 0.858 1.00 . A A . 4 PHE CG 1 1 35 2596 1 1 4 PHE CZ C 1.651 0.506 2.504 1.00 . A A . 4 PHE CZ 1 1 35 2597 1 1 4 PHE H H 1.850 -0.825 -1.368 1.00 . A A . 4 PHE H 1 1 35 2598 1 1 4 PHE HA H 2.662 -3.481 -1.985 1.00 . A A . 4 PHE HA 1 1 35 2599 1 1 4 PHE HB2 H 3.030 -3.573 0.566 1.00 . A A . 4 PHE HB2 1 1 35 2600 1 1 4 PHE HB3 H 3.992 -2.433 -0.365 1.00 . A A . 4 PHE HB3 1 1 35 2601 1 1 4 PHE HD1 H 1.109 -2.768 1.907 1.00 . A A . 4 PHE HD1 1 1 35 2602 1 1 4 PHE HD2 H 3.829 -0.104 0.006 1.00 . A A . 4 PHE HD2 1 1 35 2603 1 1 4 PHE HE1 H 0.336 -0.941 3.365 1.00 . A A . 4 PHE HE1 1 1 35 2604 1 1 4 PHE HE2 H 3.063 1.726 1.461 1.00 . A A . 4 PHE HE2 1 1 35 2605 1 1 4 PHE HZ H 1.314 1.307 3.143 1.00 . A A . 4 PHE HZ 1 1 35 2606 1 1 4 PHE N N 1.694 -1.661 -1.851 1.00 . A A . 4 PHE N 1 1 35 2607 1 1 4 PHE O O 0.878 -4.963 -0.929 1.00 . A A . 4 PHE O 1 1 35 2608 1 1 5 MET C C -2.108 -4.301 -1.118 1.00 . A A . 5 MET C 1 1 35 2609 1 1 5 MET CA C -1.372 -3.683 0.067 1.00 . A A . 5 MET CA 1 1 35 2610 1 1 5 MET CB C -2.281 -2.674 0.772 1.00 . A A . 5 MET CB 1 1 35 2611 1 1 5 MET CE C -1.843 0.338 3.518 1.00 . A A . 5 MET CE 1 1 35 2612 1 1 5 MET CG C -1.571 -1.852 1.836 1.00 . A A . 5 MET CG 1 1 35 2613 1 1 5 MET H H -0.065 -2.063 -0.316 1.00 . A A . 5 MET H 1 1 35 2614 1 1 5 MET HA H -1.111 -4.467 0.762 1.00 . A A . 5 MET HA 1 1 35 2615 1 1 5 MET HB2 H -2.687 -1.997 0.036 1.00 . A A . 5 MET HB2 1 1 35 2616 1 1 5 MET HB3 H -3.093 -3.207 1.244 1.00 . A A . 5 MET HB3 1 1 35 2617 1 1 5 MET HE1 H -1.432 0.222 4.510 1.00 . A A . 5 MET HE1 1 1 35 2618 1 1 5 MET HE2 H -2.531 1.170 3.508 1.00 . A A . 5 MET HE2 1 1 35 2619 1 1 5 MET HE3 H -1.042 0.524 2.816 1.00 . A A . 5 MET HE3 1 1 35 2620 1 1 5 MET HG2 H -0.863 -2.484 2.348 1.00 . A A . 5 MET HG2 1 1 35 2621 1 1 5 MET HG3 H -1.045 -1.042 1.353 1.00 . A A . 5 MET HG3 1 1 35 2622 1 1 5 MET N N -0.140 -3.038 -0.368 1.00 . A A . 5 MET N 1 1 35 2623 1 1 5 MET O O -1.442 -4.617 -2.126 1.00 . A A . 5 MET O 1 1 35 2624 1 1 5 MET OXT O -3.343 -4.465 -1.026 1.00 . A A . 5 MET OXT 1 1 35 2625 1 1 5 MET SD S -2.710 -1.158 3.050 1.00 . A A . 5 MET SD 1 1 36 2626 1 1 1 TYR C C 1.678 3.807 -0.216 1.00 . A A . 1 TYR C 1 1 36 2627 1 1 1 TYR CA C 0.910 3.823 1.101 1.00 . A A . 1 TYR CA 1 1 36 2628 1 1 1 TYR CB C -0.365 4.653 0.952 1.00 . A A . 1 TYR CB 1 1 36 2629 1 1 1 TYR CD1 C -2.180 2.903 0.802 1.00 . A A . 1 TYR CD1 1 1 36 2630 1 1 1 TYR CD2 C -1.799 4.300 -1.091 1.00 . A A . 1 TYR CD2 1 1 36 2631 1 1 1 TYR CE1 C -3.188 2.248 0.120 1.00 . A A . 1 TYR CE1 1 1 36 2632 1 1 1 TYR CE2 C -2.804 3.651 -1.779 1.00 . A A . 1 TYR CE2 1 1 36 2633 1 1 1 TYR CG C -1.471 3.940 0.209 1.00 . A A . 1 TYR CG 1 1 36 2634 1 1 1 TYR CZ C -3.496 2.625 -1.169 1.00 . A A . 1 TYR CZ 1 1 36 2635 1 1 1 TYR H1 H 2.624 3.878 2.238 1.00 . A A . 1 TYR H1 1 1 36 2636 1 1 1 TYR H2 H 1.192 4.306 3.081 1.00 . A A . 1 TYR H2 1 1 36 2637 1 1 1 TYR H3 H 1.898 5.406 1.969 1.00 . A A . 1 TYR H3 1 1 36 2638 1 1 1 TYR HA H 0.647 2.811 1.369 1.00 . A A . 1 TYR HA 1 1 36 2639 1 1 1 TYR HB2 H -0.736 4.912 1.931 1.00 . A A . 1 TYR HB2 1 1 36 2640 1 1 1 TYR HB3 H -0.132 5.556 0.408 1.00 . A A . 1 TYR HB3 1 1 36 2641 1 1 1 TYR HD1 H -1.935 2.609 1.812 1.00 . A A . 1 TYR HD1 1 1 36 2642 1 1 1 TYR HD2 H -1.257 5.105 -1.565 1.00 . A A . 1 TYR HD2 1 1 36 2643 1 1 1 TYR HE1 H -3.728 1.445 0.599 1.00 . A A . 1 TYR HE1 1 1 36 2644 1 1 1 TYR HE2 H -3.043 3.947 -2.790 1.00 . A A . 1 TYR HE2 1 1 36 2645 1 1 1 TYR HH H -5.259 2.557 -1.937 1.00 . A A . 1 TYR HH 1 1 36 2646 1 1 1 TYR N N 1.730 4.405 2.196 1.00 . A A . 1 TYR N 1 1 36 2647 1 1 1 TYR O O 2.799 4.309 -0.300 1.00 . A A . 1 TYR O 1 1 36 2648 1 1 1 TYR OH O -4.499 1.976 -1.853 1.00 . A A . 1 TYR OH 1 1 36 2649 1 1 2 GLY C C 1.201 1.986 -3.365 1.00 . A A . 2 GLY C 1 1 36 2650 1 1 2 GLY CA C 1.690 3.163 -2.544 1.00 . A A . 2 GLY CA 1 1 36 2651 1 1 2 GLY H H 0.173 2.856 -1.116 1.00 . A A . 2 GLY H 1 1 36 2652 1 1 2 GLY HA2 H 1.470 4.074 -3.078 1.00 . A A . 2 GLY HA2 1 1 36 2653 1 1 2 GLY HA3 H 2.757 3.080 -2.414 1.00 . A A . 2 GLY HA3 1 1 36 2654 1 1 2 GLY N N 1.063 3.232 -1.243 1.00 . A A . 2 GLY N 1 1 36 2655 1 1 2 GLY O O 0.704 2.163 -4.477 1.00 . A A . 2 GLY O 1 1 36 2656 1 1 3 GLY C C 1.501 -1.680 -2.973 1.00 . A A . 3 GLY C 1 1 36 2657 1 1 3 GLY CA C 0.895 -0.404 -3.527 1.00 . A A . 3 GLY CA 1 1 36 2658 1 1 3 GLY H H 1.739 0.701 -1.928 1.00 . A A . 3 GLY H 1 1 36 2659 1 1 3 GLY HA2 H -0.180 -0.470 -3.457 1.00 . A A . 3 GLY HA2 1 1 36 2660 1 1 3 GLY HA3 H 1.171 -0.311 -4.567 1.00 . A A . 3 GLY HA3 1 1 36 2661 1 1 3 GLY N N 1.338 0.783 -2.818 1.00 . A A . 3 GLY N 1 1 36 2662 1 1 3 GLY O O 1.884 -2.570 -3.731 1.00 . A A . 3 GLY O 1 1 36 2663 1 1 4 PHE C C 1.058 -3.971 -0.689 1.00 . A A . 4 PHE C 1 1 36 2664 1 1 4 PHE CA C 2.148 -2.952 -1.005 1.00 . A A . 4 PHE CA 1 1 36 2665 1 1 4 PHE CB C 2.889 -2.564 0.275 1.00 . A A . 4 PHE CB 1 1 36 2666 1 1 4 PHE CD1 C 1.130 -1.879 1.927 1.00 . A A . 4 PHE CD1 1 1 36 2667 1 1 4 PHE CD2 C 2.588 -0.202 1.063 1.00 . A A . 4 PHE CD2 1 1 36 2668 1 1 4 PHE CE1 C 0.485 -0.926 2.695 1.00 . A A . 4 PHE CE1 1 1 36 2669 1 1 4 PHE CE2 C 1.949 0.754 1.827 1.00 . A A . 4 PHE CE2 1 1 36 2670 1 1 4 PHE CG C 2.186 -1.527 1.104 1.00 . A A . 4 PHE CG 1 1 36 2671 1 1 4 PHE CZ C 0.896 0.391 2.645 1.00 . A A . 4 PHE CZ 1 1 36 2672 1 1 4 PHE H H 1.264 -1.031 -1.095 1.00 . A A . 4 PHE H 1 1 36 2673 1 1 4 PHE HA H 2.848 -3.399 -1.693 1.00 . A A . 4 PHE HA 1 1 36 2674 1 1 4 PHE HB2 H 3.014 -3.443 0.886 1.00 . A A . 4 PHE HB2 1 1 36 2675 1 1 4 PHE HB3 H 3.859 -2.175 0.010 1.00 . A A . 4 PHE HB3 1 1 36 2676 1 1 4 PHE HD1 H 0.808 -2.909 1.967 1.00 . A A . 4 PHE HD1 1 1 36 2677 1 1 4 PHE HD2 H 3.411 0.081 0.424 1.00 . A A . 4 PHE HD2 1 1 36 2678 1 1 4 PHE HE1 H -0.338 -1.213 3.332 1.00 . A A . 4 PHE HE1 1 1 36 2679 1 1 4 PHE HE2 H 2.274 1.783 1.787 1.00 . A A . 4 PHE HE2 1 1 36 2680 1 1 4 PHE HZ H 0.396 1.138 3.243 1.00 . A A . 4 PHE HZ 1 1 36 2681 1 1 4 PHE N N 1.586 -1.772 -1.650 1.00 . A A . 4 PHE N 1 1 36 2682 1 1 4 PHE O O 1.266 -5.178 -0.815 1.00 . A A . 4 PHE O 1 1 36 2683 1 1 5 MET C C -1.762 -5.043 -1.194 1.00 . A A . 5 MET C 1 1 36 2684 1 1 5 MET CA C -1.228 -4.346 0.053 1.00 . A A . 5 MET CA 1 1 36 2685 1 1 5 MET CB C -2.350 -3.540 0.714 1.00 . A A . 5 MET CB 1 1 36 2686 1 1 5 MET CE C -3.945 -0.829 2.139 1.00 . A A . 5 MET CE 1 1 36 2687 1 1 5 MET CG C -1.874 -2.648 1.847 1.00 . A A . 5 MET CG 1 1 36 2688 1 1 5 MET H H -0.208 -2.506 -0.198 1.00 . A A . 5 MET H 1 1 36 2689 1 1 5 MET HA H -0.877 -5.093 0.747 1.00 . A A . 5 MET HA 1 1 36 2690 1 1 5 MET HB2 H -2.818 -2.917 -0.035 1.00 . A A . 5 MET HB2 1 1 36 2691 1 1 5 MET HB3 H -3.084 -4.226 1.109 1.00 . A A . 5 MET HB3 1 1 36 2692 1 1 5 MET HE1 H -3.757 0.078 2.694 1.00 . A A . 5 MET HE1 1 1 36 2693 1 1 5 MET HE2 H -5.011 -0.988 2.059 1.00 . A A . 5 MET HE2 1 1 36 2694 1 1 5 MET HE3 H -3.519 -0.742 1.150 1.00 . A A . 5 MET HE3 1 1 36 2695 1 1 5 MET HG2 H -1.100 -3.164 2.393 1.00 . A A . 5 MET HG2 1 1 36 2696 1 1 5 MET HG3 H -1.472 -1.738 1.425 1.00 . A A . 5 MET HG3 1 1 36 2697 1 1 5 MET N N -0.104 -3.477 -0.280 1.00 . A A . 5 MET N 1 1 36 2698 1 1 5 MET O O -2.581 -4.427 -1.910 1.00 . A A . 5 MET O 1 1 36 2699 1 1 5 MET OXT O -1.355 -6.196 -1.446 1.00 . A A . 5 MET OXT 1 1 36 2700 1 1 5 MET SD S -3.198 -2.216 2.992 1.00 . A A . 5 MET SD 1 1 37 2701 1 1 1 TYR C C 1.233 3.296 0.406 1.00 . A A . 1 TYR C 1 1 37 2702 1 1 1 TYR CA C 0.170 3.148 1.489 1.00 . A A . 1 TYR CA 1 1 37 2703 1 1 1 TYR CB C -1.076 3.957 1.119 1.00 . A A . 1 TYR CB 1 1 37 2704 1 1 1 TYR CD1 C -2.641 2.181 0.234 1.00 . A A . 1 TYR CD1 1 1 37 2705 1 1 1 TYR CD2 C -1.939 3.908 -1.251 1.00 . A A . 1 TYR CD2 1 1 37 2706 1 1 1 TYR CE1 C -3.393 1.612 -0.776 1.00 . A A . 1 TYR CE1 1 1 37 2707 1 1 1 TYR CE2 C -2.687 3.346 -2.267 1.00 . A A . 1 TYR CE2 1 1 37 2708 1 1 1 TYR CG C -1.903 3.336 0.015 1.00 . A A . 1 TYR CG 1 1 37 2709 1 1 1 TYR CZ C -3.413 2.199 -2.024 1.00 . A A . 1 TYR CZ 1 1 37 2710 1 1 1 TYR H1 H 0.089 3.192 3.545 1.00 . A A . 1 TYR H1 1 1 37 2711 1 1 1 TYR H2 H 0.582 4.666 2.816 1.00 . A A . 1 TYR H2 1 1 37 2712 1 1 1 TYR H3 H 1.665 3.338 2.889 1.00 . A A . 1 TYR H3 1 1 37 2713 1 1 1 TYR HA H -0.097 2.106 1.583 1.00 . A A . 1 TYR HA 1 1 37 2714 1 1 1 TYR HB2 H -1.706 4.054 1.989 1.00 . A A . 1 TYR HB2 1 1 37 2715 1 1 1 TYR HB3 H -0.770 4.938 0.790 1.00 . A A . 1 TYR HB3 1 1 37 2716 1 1 1 TYR HD1 H -2.622 1.723 1.212 1.00 . A A . 1 TYR HD1 1 1 37 2717 1 1 1 TYR HD2 H -1.370 4.807 -1.438 1.00 . A A . 1 TYR HD2 1 1 37 2718 1 1 1 TYR HE1 H -3.961 0.713 -0.587 1.00 . A A . 1 TYR HE1 1 1 37 2719 1 1 1 TYR HE2 H -2.700 3.805 -3.243 1.00 . A A . 1 TYR HE2 1 1 37 2720 1 1 1 TYR HH H -3.648 0.946 -3.464 1.00 . A A . 1 TYR HH 1 1 37 2721 1 1 1 TYR N N 0.671 3.630 2.804 1.00 . A A . 1 TYR N 1 1 37 2722 1 1 1 TYR O O 2.326 3.802 0.660 1.00 . A A . 1 TYR O 1 1 37 2723 1 1 1 TYR OH O -4.159 1.636 -3.034 1.00 . A A . 1 TYR OH 1 1 37 2724 1 1 2 GLY C C 1.576 1.894 -2.972 1.00 . A A . 2 GLY C 1 1 37 2725 1 1 2 GLY CA C 1.831 2.944 -1.907 1.00 . A A . 2 GLY CA 1 1 37 2726 1 1 2 GLY H H 0.023 2.463 -0.943 1.00 . A A . 2 GLY H 1 1 37 2727 1 1 2 GLY HA2 H 1.736 3.921 -2.355 1.00 . A A . 2 GLY HA2 1 1 37 2728 1 1 2 GLY HA3 H 2.835 2.825 -1.531 1.00 . A A . 2 GLY HA3 1 1 37 2729 1 1 2 GLY N N 0.903 2.852 -0.801 1.00 . A A . 2 GLY N 1 1 37 2730 1 1 2 GLY O O 1.953 2.072 -4.130 1.00 . A A . 2 GLY O 1 1 37 2731 1 1 3 GLY C C 1.048 -1.634 -3.020 1.00 . A A . 3 GLY C 1 1 37 2732 1 1 3 GLY CA C 0.635 -0.263 -3.524 1.00 . A A . 3 GLY CA 1 1 37 2733 1 1 3 GLY H H 0.652 0.713 -1.646 1.00 . A A . 3 GLY H 1 1 37 2734 1 1 3 GLY HA2 H -0.427 -0.271 -3.714 1.00 . A A . 3 GLY HA2 1 1 37 2735 1 1 3 GLY HA3 H 1.153 -0.061 -4.450 1.00 . A A . 3 GLY HA3 1 1 37 2736 1 1 3 GLY N N 0.931 0.799 -2.581 1.00 . A A . 3 GLY N 1 1 37 2737 1 1 3 GLY O O 0.822 -2.640 -3.692 1.00 . A A . 3 GLY O 1 1 37 2738 1 1 4 PHE C C 0.879 -3.779 -0.834 1.00 . A A . 4 PHE C 1 1 37 2739 1 1 4 PHE CA C 2.082 -2.944 -1.251 1.00 . A A . 4 PHE CA 1 1 37 2740 1 1 4 PHE CB C 2.987 -2.702 -0.040 1.00 . A A . 4 PHE CB 1 1 37 2741 1 1 4 PHE CD1 C 1.571 -1.757 1.806 1.00 . A A . 4 PHE CD1 1 1 37 2742 1 1 4 PHE CD2 C 3.103 -0.305 0.694 1.00 . A A . 4 PHE CD2 1 1 37 2743 1 1 4 PHE CE1 C 1.164 -0.711 2.614 1.00 . A A . 4 PHE CE1 1 1 37 2744 1 1 4 PHE CE2 C 2.699 0.744 1.498 1.00 . A A . 4 PHE CE2 1 1 37 2745 1 1 4 PHE CG C 2.544 -1.565 0.837 1.00 . A A . 4 PHE CG 1 1 37 2746 1 1 4 PHE CZ C 1.728 0.540 2.459 1.00 . A A . 4 PHE CZ 1 1 37 2747 1 1 4 PHE H H 1.798 -0.848 -1.341 1.00 . A A . 4 PHE H 1 1 37 2748 1 1 4 PHE HA H 2.638 -3.484 -2.003 1.00 . A A . 4 PHE HA 1 1 37 2749 1 1 4 PHE HB2 H 3.005 -3.595 0.567 1.00 . A A . 4 PHE HB2 1 1 37 2750 1 1 4 PHE HB3 H 3.987 -2.488 -0.385 1.00 . A A . 4 PHE HB3 1 1 37 2751 1 1 4 PHE HD1 H 1.130 -2.734 1.927 1.00 . A A . 4 PHE HD1 1 1 37 2752 1 1 4 PHE HD2 H 3.862 -0.145 -0.059 1.00 . A A . 4 PHE HD2 1 1 37 2753 1 1 4 PHE HE1 H 0.404 -0.873 3.365 1.00 . A A . 4 PHE HE1 1 1 37 2754 1 1 4 PHE HE2 H 3.142 1.720 1.375 1.00 . A A . 4 PHE HE2 1 1 37 2755 1 1 4 PHE HZ H 1.411 1.357 3.089 1.00 . A A . 4 PHE HZ 1 1 37 2756 1 1 4 PHE N N 1.649 -1.679 -1.835 1.00 . A A . 4 PHE N 1 1 37 2757 1 1 4 PHE O O 0.885 -5.004 -0.957 1.00 . A A . 4 PHE O 1 1 37 2758 1 1 5 MET C C -2.118 -4.368 -1.092 1.00 . A A . 5 MET C 1 1 37 2759 1 1 5 MET CA C -1.370 -3.770 0.094 1.00 . A A . 5 MET CA 1 1 37 2760 1 1 5 MET CB C -2.273 -2.785 0.839 1.00 . A A . 5 MET CB 1 1 37 2761 1 1 5 MET CE C -1.859 0.310 3.437 1.00 . A A . 5 MET CE 1 1 37 2762 1 1 5 MET CG C -1.548 -1.977 1.902 1.00 . A A . 5 MET CG 1 1 37 2763 1 1 5 MET H H -0.087 -2.126 -0.275 1.00 . A A . 5 MET H 1 1 37 2764 1 1 5 MET HA H -1.088 -4.566 0.768 1.00 . A A . 5 MET HA 1 1 37 2765 1 1 5 MET HB2 H -2.701 -2.096 0.125 1.00 . A A . 5 MET HB2 1 1 37 2766 1 1 5 MET HB3 H -3.070 -3.335 1.316 1.00 . A A . 5 MET HB3 1 1 37 2767 1 1 5 MET HE1 H -1.202 0.552 2.614 1.00 . A A . 5 MET HE1 1 1 37 2768 1 1 5 MET HE2 H -1.283 0.235 4.347 1.00 . A A . 5 MET HE2 1 1 37 2769 1 1 5 MET HE3 H -2.602 1.086 3.545 1.00 . A A . 5 MET HE3 1 1 37 2770 1 1 5 MET HG2 H -0.856 -2.627 2.418 1.00 . A A . 5 MET HG2 1 1 37 2771 1 1 5 MET HG3 H -0.999 -1.181 1.420 1.00 . A A . 5 MET HG3 1 1 37 2772 1 1 5 MET N N -0.150 -3.102 -0.343 1.00 . A A . 5 MET N 1 1 37 2773 1 1 5 MET O O -1.704 -4.114 -2.242 1.00 . A A . 5 MET O 1 1 37 2774 1 1 5 MET OXT O -3.113 -5.088 -0.861 1.00 . A A . 5 MET OXT 1 1 37 2775 1 1 5 MET SD S -2.671 -1.254 3.113 1.00 . A A . 5 MET SD 1 1 38 2776 1 1 1 TYR C C 1.589 3.647 0.003 1.00 . A A . 1 TYR C 1 1 38 2777 1 1 1 TYR CA C 0.734 3.713 1.263 1.00 . A A . 1 TYR CA 1 1 38 2778 1 1 1 TYR CB C -0.491 4.597 1.019 1.00 . A A . 1 TYR CB 1 1 38 2779 1 1 1 TYR CD1 C -2.394 2.950 0.805 1.00 . A A . 1 TYR CD1 1 1 38 2780 1 1 1 TYR CD2 C -1.797 4.241 -1.108 1.00 . A A . 1 TYR CD2 1 1 38 2781 1 1 1 TYR CE1 C -3.388 2.324 0.077 1.00 . A A . 1 TYR CE1 1 1 38 2782 1 1 1 TYR CE2 C -2.788 3.621 -1.843 1.00 . A A . 1 TYR CE2 1 1 38 2783 1 1 1 TYR CG C -1.582 3.918 0.226 1.00 . A A . 1 TYR CG 1 1 38 2784 1 1 1 TYR CZ C -3.581 2.664 -1.246 1.00 . A A . 1 TYR CZ 1 1 38 2785 1 1 1 TYR H1 H 2.152 3.533 2.744 1.00 . A A . 1 TYR H1 1 1 38 2786 1 1 1 TYR H2 H 0.819 4.537 3.147 1.00 . A A . 1 TYR H2 1 1 38 2787 1 1 1 TYR H3 H 2.024 5.101 2.063 1.00 . A A . 1 TYR H3 1 1 38 2788 1 1 1 TYR HA H 0.407 2.717 1.522 1.00 . A A . 1 TYR HA 1 1 38 2789 1 1 1 TYR HB2 H -0.907 4.897 1.968 1.00 . A A . 1 TYR HB2 1 1 38 2790 1 1 1 TYR HB3 H -0.182 5.475 0.471 1.00 . A A . 1 TYR HB3 1 1 38 2791 1 1 1 TYR HD1 H -2.240 2.688 1.841 1.00 . A A . 1 TYR HD1 1 1 38 2792 1 1 1 TYR HD2 H -1.174 4.990 -1.574 1.00 . A A . 1 TYR HD2 1 1 38 2793 1 1 1 TYR HE1 H -4.009 1.575 0.545 1.00 . A A . 1 TYR HE1 1 1 38 2794 1 1 1 TYR HE2 H -2.936 3.885 -2.879 1.00 . A A . 1 TYR HE2 1 1 38 2795 1 1 1 TYR HH H -5.321 2.635 -2.064 1.00 . A A . 1 TYR HH 1 1 38 2796 1 1 1 TYR N N 1.501 4.272 2.407 1.00 . A A . 1 TYR N 1 1 38 2797 1 1 1 TYR O O 2.733 4.103 -0.010 1.00 . A A . 1 TYR O 1 1 38 2798 1 1 1 TYR OH O -4.570 2.043 -1.974 1.00 . A A . 1 TYR OH 1 1 38 2799 1 1 2 GLY C C 1.272 1.782 -3.139 1.00 . A A . 2 GLY C 1 1 38 2800 1 1 2 GLY CA C 1.736 2.964 -2.310 1.00 . A A . 2 GLY CA 1 1 38 2801 1 1 2 GLY H H 0.113 2.739 -0.985 1.00 . A A . 2 GLY H 1 1 38 2802 1 1 2 GLY HA2 H 1.580 3.868 -2.878 1.00 . A A . 2 GLY HA2 1 1 38 2803 1 1 2 GLY HA3 H 2.790 2.856 -2.105 1.00 . A A . 2 GLY HA3 1 1 38 2804 1 1 2 GLY N N 1.024 3.079 -1.055 1.00 . A A . 2 GLY N 1 1 38 2805 1 1 2 GLY O O 1.432 1.772 -4.359 1.00 . A A . 2 GLY O 1 1 38 2806 1 1 3 GLY C C 0.877 -1.670 -2.729 1.00 . A A . 3 GLY C 1 1 38 2807 1 1 3 GLY CA C 0.206 -0.387 -3.183 1.00 . A A . 3 GLY CA 1 1 38 2808 1 1 3 GLY H H 0.584 0.849 -1.505 1.00 . A A . 3 GLY H 1 1 38 2809 1 1 3 GLY HA2 H -0.858 -0.477 -3.018 1.00 . A A . 3 GLY HA2 1 1 38 2810 1 1 3 GLY HA3 H 0.384 -0.256 -4.239 1.00 . A A . 3 GLY HA3 1 1 38 2811 1 1 3 GLY N N 0.690 0.785 -2.477 1.00 . A A . 3 GLY N 1 1 38 2812 1 1 3 GLY O O 0.949 -2.638 -3.485 1.00 . A A . 3 GLY O 1 1 38 2813 1 1 4 PHE C C 1.022 -3.961 -0.644 1.00 . A A . 4 PHE C 1 1 38 2814 1 1 4 PHE CA C 2.034 -2.863 -0.952 1.00 . A A . 4 PHE CA 1 1 38 2815 1 1 4 PHE CB C 2.830 -2.524 0.313 1.00 . A A . 4 PHE CB 1 1 38 2816 1 1 4 PHE CD1 C 1.290 -1.699 2.116 1.00 . A A . 4 PHE CD1 1 1 38 2817 1 1 4 PHE CD2 C 2.646 -0.107 0.970 1.00 . A A . 4 PHE CD2 1 1 38 2818 1 1 4 PHE CE1 C 0.750 -0.688 2.888 1.00 . A A . 4 PHE CE1 1 1 38 2819 1 1 4 PHE CE2 C 2.110 0.908 1.739 1.00 . A A . 4 PHE CE2 1 1 38 2820 1 1 4 PHE CG C 2.240 -1.421 1.149 1.00 . A A . 4 PHE CG 1 1 38 2821 1 1 4 PHE CZ C 1.161 0.617 2.699 1.00 . A A . 4 PHE CZ 1 1 38 2822 1 1 4 PHE H H 1.281 -0.882 -0.937 1.00 . A A . 4 PHE H 1 1 38 2823 1 1 4 PHE HA H 2.716 -3.227 -1.706 1.00 . A A . 4 PHE HA 1 1 38 2824 1 1 4 PHE HB2 H 2.886 -3.404 0.932 1.00 . A A . 4 PHE HB2 1 1 38 2825 1 1 4 PHE HB3 H 3.828 -2.227 0.028 1.00 . A A . 4 PHE HB3 1 1 38 2826 1 1 4 PHE HD1 H 0.968 -2.719 2.264 1.00 . A A . 4 PHE HD1 1 1 38 2827 1 1 4 PHE HD2 H 3.387 0.121 0.218 1.00 . A A . 4 PHE HD2 1 1 38 2828 1 1 4 PHE HE1 H 0.008 -0.918 3.638 1.00 . A A . 4 PHE HE1 1 1 38 2829 1 1 4 PHE HE2 H 2.434 1.926 1.591 1.00 . A A . 4 PHE HE2 1 1 38 2830 1 1 4 PHE HZ H 0.741 1.408 3.302 1.00 . A A . 4 PHE HZ 1 1 38 2831 1 1 4 PHE N N 1.369 -1.681 -1.493 1.00 . A A . 4 PHE N 1 1 38 2832 1 1 4 PHE O O 1.321 -5.149 -0.772 1.00 . A A . 4 PHE O 1 1 38 2833 1 1 5 MET C C -1.707 -5.238 -1.168 1.00 . A A . 5 MET C 1 1 38 2834 1 1 5 MET CA C -1.236 -4.504 0.083 1.00 . A A . 5 MET CA 1 1 38 2835 1 1 5 MET CB C -2.421 -3.784 0.733 1.00 . A A . 5 MET CB 1 1 38 2836 1 1 5 MET CE C -1.497 -0.439 0.347 1.00 . A A . 5 MET CE 1 1 38 2837 1 1 5 MET CG C -2.016 -2.756 1.778 1.00 . A A . 5 MET CG 1 1 38 2838 1 1 5 MET H H -0.349 -2.596 -0.159 1.00 . A A . 5 MET H 1 1 38 2839 1 1 5 MET HA H -0.835 -5.224 0.781 1.00 . A A . 5 MET HA 1 1 38 2840 1 1 5 MET HB2 H -2.986 -3.281 -0.037 1.00 . A A . 5 MET HB2 1 1 38 2841 1 1 5 MET HB3 H -3.054 -4.518 1.209 1.00 . A A . 5 MET HB3 1 1 38 2842 1 1 5 MET HE1 H -1.562 0.638 0.360 1.00 . A A . 5 MET HE1 1 1 38 2843 1 1 5 MET HE2 H -1.680 -0.800 -0.654 1.00 . A A . 5 MET HE2 1 1 38 2844 1 1 5 MET HE3 H -0.509 -0.744 0.664 1.00 . A A . 5 MET HE3 1 1 38 2845 1 1 5 MET HG2 H -2.354 -3.095 2.746 1.00 . A A . 5 MET HG2 1 1 38 2846 1 1 5 MET HG3 H -0.940 -2.674 1.784 1.00 . A A . 5 MET HG3 1 1 38 2847 1 1 5 MET N N -0.176 -3.555 -0.241 1.00 . A A . 5 MET N 1 1 38 2848 1 1 5 MET O O -2.850 -5.741 -1.163 1.00 . A A . 5 MET O 1 1 38 2849 1 1 5 MET OXT O -0.929 -5.303 -2.143 1.00 . A A . 5 MET OXT 1 1 38 2850 1 1 5 MET SD S -2.718 -1.125 1.463 1.00 . A A . 5 MET SD 1 1 39 2851 1 1 1 TYR C C 1.642 3.641 -0.086 1.00 . A A . 1 TYR C 1 1 39 2852 1 1 1 TYR CA C 0.743 3.665 1.146 1.00 . A A . 1 TYR CA 1 1 39 2853 1 1 1 TYR CB C -0.444 4.602 0.911 1.00 . A A . 1 TYR CB 1 1 39 2854 1 1 1 TYR CD1 C -2.393 3.030 0.576 1.00 . A A . 1 TYR CD1 1 1 39 2855 1 1 1 TYR CD2 C -1.706 4.385 -1.262 1.00 . A A . 1 TYR CD2 1 1 39 2856 1 1 1 TYR CE1 C -3.389 2.472 -0.203 1.00 . A A . 1 TYR CE1 1 1 39 2857 1 1 1 TYR CE2 C -2.698 3.831 -2.047 1.00 . A A . 1 TYR CE2 1 1 39 2858 1 1 1 TYR CG C -1.537 3.995 0.061 1.00 . A A . 1 TYR CG 1 1 39 2859 1 1 1 TYR CZ C -3.537 2.876 -1.513 1.00 . A A . 1 TYR CZ 1 1 39 2860 1 1 1 TYR H1 H 2.434 3.705 2.319 1.00 . A A . 1 TYR H1 1 1 39 2861 1 1 1 TYR H2 H 0.958 3.823 3.187 1.00 . A A . 1 TYR H2 1 1 39 2862 1 1 1 TYR H3 H 1.545 5.170 2.299 1.00 . A A . 1 TYR H3 1 1 39 2863 1 1 1 TYR HA H 0.378 2.667 1.336 1.00 . A A . 1 TYR HA 1 1 39 2864 1 1 1 TYR HB2 H -0.875 4.872 1.862 1.00 . A A . 1 TYR HB2 1 1 39 2865 1 1 1 TYR HB3 H -0.093 5.492 0.412 1.00 . A A . 1 TYR HB3 1 1 39 2866 1 1 1 TYR HD1 H -2.273 2.717 1.602 1.00 . A A . 1 TYR HD1 1 1 39 2867 1 1 1 TYR HD2 H -1.048 5.133 -1.677 1.00 . A A . 1 TYR HD2 1 1 39 2868 1 1 1 TYR HE1 H -4.045 1.724 0.215 1.00 . A A . 1 TYR HE1 1 1 39 2869 1 1 1 TYR HE2 H -2.811 4.147 -3.074 1.00 . A A . 1 TYR HE2 1 1 39 2870 1 1 1 TYR HH H -4.483 1.365 -2.232 1.00 . A A . 1 TYR HH 1 1 39 2871 1 1 1 TYR N N 1.487 4.133 2.346 1.00 . A A . 1 TYR N 1 1 39 2872 1 1 1 TYR O O 2.799 4.058 -0.032 1.00 . A A . 1 TYR O 1 1 39 2873 1 1 1 TYR OH O -4.526 2.322 -2.293 1.00 . A A . 1 TYR OH 1 1 39 2874 1 1 2 GLY C C 1.438 1.912 -3.296 1.00 . A A . 2 GLY C 1 1 39 2875 1 1 2 GLY CA C 1.852 3.083 -2.427 1.00 . A A . 2 GLY CA 1 1 39 2876 1 1 2 GLY H H 0.174 2.840 -1.175 1.00 . A A . 2 GLY H 1 1 39 2877 1 1 2 GLY HA2 H 1.694 3.997 -2.979 1.00 . A A . 2 GLY HA2 1 1 39 2878 1 1 2 GLY HA3 H 2.900 2.992 -2.192 1.00 . A A . 2 GLY HA3 1 1 39 2879 1 1 2 GLY N N 1.098 3.153 -1.194 1.00 . A A . 2 GLY N 1 1 39 2880 1 1 2 GLY O O 1.586 1.955 -4.518 1.00 . A A . 2 GLY O 1 1 39 2881 1 1 3 GLY C C 1.170 -1.577 -2.956 1.00 . A A . 3 GLY C 1 1 39 2882 1 1 3 GLY CA C 0.480 -0.305 -3.411 1.00 . A A . 3 GLY CA 1 1 39 2883 1 1 3 GLY H H 0.816 0.888 -1.693 1.00 . A A . 3 GLY H 1 1 39 2884 1 1 3 GLY HA2 H -0.585 -0.424 -3.282 1.00 . A A . 3 GLY HA2 1 1 39 2885 1 1 3 GLY HA3 H 0.691 -0.151 -4.458 1.00 . A A . 3 GLY HA3 1 1 39 2886 1 1 3 GLY N N 0.914 0.864 -2.667 1.00 . A A . 3 GLY N 1 1 39 2887 1 1 3 GLY O O 1.464 -2.454 -3.768 1.00 . A A . 3 GLY O 1 1 39 2888 1 1 4 PHE C C 1.064 -3.934 -0.743 1.00 . A A . 4 PHE C 1 1 39 2889 1 1 4 PHE CA C 2.085 -2.859 -1.101 1.00 . A A . 4 PHE CA 1 1 39 2890 1 1 4 PHE CB C 2.907 -2.488 0.135 1.00 . A A . 4 PHE CB 1 1 39 2891 1 1 4 PHE CD1 C 1.269 -1.936 1.955 1.00 . A A . 4 PHE CD1 1 1 39 2892 1 1 4 PHE CD2 C 2.562 -0.165 1.017 1.00 . A A . 4 PHE CD2 1 1 39 2893 1 1 4 PHE CE1 C 0.649 -1.038 2.803 1.00 . A A . 4 PHE CE1 1 1 39 2894 1 1 4 PHE CE2 C 1.946 0.737 1.863 1.00 . A A . 4 PHE CE2 1 1 39 2895 1 1 4 PHE CG C 2.231 -1.510 1.054 1.00 . A A . 4 PHE CG 1 1 39 2896 1 1 4 PHE CZ C 0.988 0.300 2.757 1.00 . A A . 4 PHE CZ 1 1 39 2897 1 1 4 PHE H H 1.169 -0.950 -1.057 1.00 . A A . 4 PHE H 1 1 39 2898 1 1 4 PHE HA H 2.748 -3.252 -1.858 1.00 . A A . 4 PHE HA 1 1 39 2899 1 1 4 PHE HB2 H 3.111 -3.383 0.701 1.00 . A A . 4 PHE HB2 1 1 39 2900 1 1 4 PHE HB3 H 3.842 -2.052 -0.184 1.00 . A A . 4 PHE HB3 1 1 39 2901 1 1 4 PHE HD1 H 1.004 -2.982 1.992 1.00 . A A . 4 PHE HD1 1 1 39 2902 1 1 4 PHE HD2 H 3.310 0.177 0.318 1.00 . A A . 4 PHE HD2 1 1 39 2903 1 1 4 PHE HE1 H -0.099 -1.382 3.501 1.00 . A A . 4 PHE HE1 1 1 39 2904 1 1 4 PHE HE2 H 2.213 1.783 1.824 1.00 . A A . 4 PHE HE2 1 1 39 2905 1 1 4 PHE HZ H 0.506 1.004 3.419 1.00 . A A . 4 PHE HZ 1 1 39 2906 1 1 4 PHE N N 1.428 -1.680 -1.655 1.00 . A A . 4 PHE N 1 1 39 2907 1 1 4 PHE O O 1.306 -5.124 -0.941 1.00 . A A . 4 PHE O 1 1 39 2908 1 1 5 MET C C -1.749 -5.095 -1.061 1.00 . A A . 5 MET C 1 1 39 2909 1 1 5 MET CA C -1.136 -4.433 0.168 1.00 . A A . 5 MET CA 1 1 39 2910 1 1 5 MET CB C -2.224 -3.704 0.961 1.00 . A A . 5 MET CB 1 1 39 2911 1 1 5 MET CE C -3.723 -0.859 2.172 1.00 . A A . 5 MET CE 1 1 39 2912 1 1 5 MET CG C -1.680 -2.723 1.987 1.00 . A A . 5 MET CG 1 1 39 2913 1 1 5 MET H H -0.209 -2.544 -0.083 1.00 . A A . 5 MET H 1 1 39 2914 1 1 5 MET HA H -0.697 -5.196 0.794 1.00 . A A . 5 MET HA 1 1 39 2915 1 1 5 MET HB2 H -2.850 -3.157 0.270 1.00 . A A . 5 MET HB2 1 1 39 2916 1 1 5 MET HB3 H -2.827 -4.434 1.478 1.00 . A A . 5 MET HB3 1 1 39 2917 1 1 5 MET HE1 H -3.368 -0.910 1.153 1.00 . A A . 5 MET HE1 1 1 39 2918 1 1 5 MET HE2 H -3.475 0.104 2.592 1.00 . A A . 5 MET HE2 1 1 39 2919 1 1 5 MET HE3 H -4.794 -0.996 2.187 1.00 . A A . 5 MET HE3 1 1 39 2920 1 1 5 MET HG2 H -0.895 -3.208 2.548 1.00 . A A . 5 MET HG2 1 1 39 2921 1 1 5 MET HG3 H -1.273 -1.868 1.466 1.00 . A A . 5 MET HG3 1 1 39 2922 1 1 5 MET N N -0.077 -3.505 -0.217 1.00 . A A . 5 MET N 1 1 39 2923 1 1 5 MET O O -1.661 -6.337 -1.169 1.00 . A A . 5 MET O 1 1 39 2924 1 1 5 MET OXT O -2.312 -4.368 -1.905 1.00 . A A . 5 MET OXT 1 1 39 2925 1 1 5 MET SD S -2.943 -2.151 3.138 1.00 . A A . 5 MET SD 1 1 40 2926 1 1 1 TYR C C 1.443 3.393 0.150 1.00 . A A . 1 TYR C 1 1 40 2927 1 1 1 TYR CA C 0.471 3.386 1.327 1.00 . A A . 1 TYR CA 1 1 40 2928 1 1 1 TYR CB C -0.674 4.366 1.069 1.00 . A A . 1 TYR CB 1 1 40 2929 1 1 1 TYR CD1 C -2.562 2.814 0.436 1.00 . A A . 1 TYR CD1 1 1 40 2930 1 1 1 TYR CD2 C -1.818 4.404 -1.176 1.00 . A A . 1 TYR CD2 1 1 40 2931 1 1 1 TYR CE1 C -3.504 2.342 -0.459 1.00 . A A . 1 TYR CE1 1 1 40 2932 1 1 1 TYR CE2 C -2.756 3.938 -2.076 1.00 . A A . 1 TYR CE2 1 1 40 2933 1 1 1 TYR CG C -1.706 3.852 0.093 1.00 . A A . 1 TYR CG 1 1 40 2934 1 1 1 TYR CZ C -3.597 2.907 -1.713 1.00 . A A . 1 TYR CZ 1 1 40 2935 1 1 1 TYR H1 H 1.676 2.947 2.937 1.00 . A A . 1 TYR H1 1 1 40 2936 1 1 1 TYR H2 H 0.420 4.066 3.270 1.00 . A A . 1 TYR H2 1 1 40 2937 1 1 1 TYR H3 H 1.797 4.562 2.375 1.00 . A A . 1 TYR H3 1 1 40 2938 1 1 1 TYR HA H 0.069 2.391 1.446 1.00 . A A . 1 TYR HA 1 1 40 2939 1 1 1 TYR HB2 H -1.176 4.577 2.002 1.00 . A A . 1 TYR HB2 1 1 40 2940 1 1 1 TYR HB3 H -0.268 5.283 0.669 1.00 . A A . 1 TYR HB3 1 1 40 2941 1 1 1 TYR HD1 H -2.487 2.374 1.419 1.00 . A A . 1 TYR HD1 1 1 40 2942 1 1 1 TYR HD2 H -1.159 5.211 -1.457 1.00 . A A . 1 TYR HD2 1 1 40 2943 1 1 1 TYR HE1 H -4.162 1.535 -0.174 1.00 . A A . 1 TYR HE1 1 1 40 2944 1 1 1 TYR HE2 H -2.825 4.380 -3.059 1.00 . A A . 1 TYR HE2 1 1 40 2945 1 1 1 TYR HH H -4.147 2.409 -3.487 1.00 . A A . 1 TYR HH 1 1 40 2946 1 1 1 TYR N N 1.152 3.775 2.591 1.00 . A A . 1 TYR N 1 1 40 2947 1 1 1 TYR O O 2.612 3.749 0.298 1.00 . A A . 1 TYR O 1 1 40 2948 1 1 1 TYR OH O -4.531 2.439 -2.608 1.00 . A A . 1 TYR OH 1 1 40 2949 1 1 2 GLY C C 1.412 1.826 -3.138 1.00 . A A . 2 GLY C 1 1 40 2950 1 1 2 GLY CA C 1.775 2.970 -2.208 1.00 . A A . 2 GLY CA 1 1 40 2951 1 1 2 GLY H H 0.011 2.733 -1.076 1.00 . A A . 2 GLY H 1 1 40 2952 1 1 2 GLY HA2 H 1.651 3.902 -2.738 1.00 . A A . 2 GLY HA2 1 1 40 2953 1 1 2 GLY HA3 H 2.807 2.867 -1.912 1.00 . A A . 2 GLY HA3 1 1 40 2954 1 1 2 GLY N N 0.947 3.001 -1.019 1.00 . A A . 2 GLY N 1 1 40 2955 1 1 2 GLY O O 1.711 1.871 -4.331 1.00 . A A . 2 GLY O 1 1 40 2956 1 1 3 GLY C C 1.104 -1.608 -3.007 1.00 . A A . 3 GLY C 1 1 40 2957 1 1 3 GLY CA C 0.370 -0.341 -3.395 1.00 . A A . 3 GLY CA 1 1 40 2958 1 1 3 GLY H H 0.551 0.822 -1.636 1.00 . A A . 3 GLY H 1 1 40 2959 1 1 3 GLY HA2 H -0.691 -0.504 -3.269 1.00 . A A . 3 GLY HA2 1 1 40 2960 1 1 3 GLY HA3 H 0.571 -0.126 -4.433 1.00 . A A . 3 GLY HA3 1 1 40 2961 1 1 3 GLY N N 0.765 0.802 -2.591 1.00 . A A . 3 GLY N 1 1 40 2962 1 1 3 GLY O O 1.303 -2.497 -3.834 1.00 . A A . 3 GLY O 1 1 40 2963 1 1 4 PHE C C 1.229 -3.918 -0.756 1.00 . A A . 4 PHE C 1 1 40 2964 1 1 4 PHE CA C 2.213 -2.863 -1.243 1.00 . A A . 4 PHE CA 1 1 40 2965 1 1 4 PHE CB C 3.159 -2.475 -0.106 1.00 . A A . 4 PHE CB 1 1 40 2966 1 1 4 PHE CD1 C 1.679 -1.931 1.847 1.00 . A A . 4 PHE CD1 1 1 40 2967 1 1 4 PHE CD2 C 2.895 -0.158 0.816 1.00 . A A . 4 PHE CD2 1 1 40 2968 1 1 4 PHE CE1 C 1.132 -1.037 2.747 1.00 . A A . 4 PHE CE1 1 1 40 2969 1 1 4 PHE CE2 C 2.351 0.742 1.714 1.00 . A A . 4 PHE CE2 1 1 40 2970 1 1 4 PHE CG C 2.565 -1.501 0.871 1.00 . A A . 4 PHE CG 1 1 40 2971 1 1 4 PHE CZ C 1.469 0.300 2.681 1.00 . A A . 4 PHE CZ 1 1 40 2972 1 1 4 PHE H H 1.309 -0.951 -1.131 1.00 . A A . 4 PHE H 1 1 40 2973 1 1 4 PHE HA H 2.790 -3.275 -2.058 1.00 . A A . 4 PHE HA 1 1 40 2974 1 1 4 PHE HB2 H 3.434 -3.364 0.440 1.00 . A A . 4 PHE HB2 1 1 40 2975 1 1 4 PHE HB3 H 4.047 -2.027 -0.525 1.00 . A A . 4 PHE HB3 1 1 40 2976 1 1 4 PHE HD1 H 1.415 -2.977 1.899 1.00 . A A . 4 PHE HD1 1 1 40 2977 1 1 4 PHE HD2 H 3.585 0.189 0.061 1.00 . A A . 4 PHE HD2 1 1 40 2978 1 1 4 PHE HE1 H 0.442 -1.385 3.502 1.00 . A A . 4 PHE HE1 1 1 40 2979 1 1 4 PHE HE2 H 2.618 1.786 1.660 1.00 . A A . 4 PHE HE2 1 1 40 2980 1 1 4 PHE HZ H 1.043 1.001 3.384 1.00 . A A . 4 PHE HZ 1 1 40 2981 1 1 4 PHE N N 1.502 -1.692 -1.743 1.00 . A A . 4 PHE N 1 1 40 2982 1 1 4 PHE O O 1.440 -5.117 -0.943 1.00 . A A . 4 PHE O 1 1 40 2983 1 1 5 MET C C -2.137 -4.289 -0.464 1.00 . A A . 5 MET C 1 1 40 2984 1 1 5 MET CA C -0.873 -4.356 0.387 1.00 . A A . 5 MET CA 1 1 40 2985 1 1 5 MET CB C -1.202 -4.007 1.841 1.00 . A A . 5 MET CB 1 1 40 2986 1 1 5 MET CE C -3.595 -1.241 0.472 1.00 . A A . 5 MET CE 1 1 40 2987 1 1 5 MET CG C -1.744 -2.597 2.024 1.00 . A A . 5 MET CG 1 1 40 2988 1 1 5 MET H H 0.046 -2.492 -0.017 1.00 . A A . 5 MET H 1 1 40 2989 1 1 5 MET HA H -0.482 -5.362 0.349 1.00 . A A . 5 MET HA 1 1 40 2990 1 1 5 MET HB2 H -1.941 -4.704 2.208 1.00 . A A . 5 MET HB2 1 1 40 2991 1 1 5 MET HB3 H -0.304 -4.102 2.433 1.00 . A A . 5 MET HB3 1 1 40 2992 1 1 5 MET HE1 H -3.630 -0.264 0.928 1.00 . A A . 5 MET HE1 1 1 40 2993 1 1 5 MET HE2 H -4.480 -1.390 -0.130 1.00 . A A . 5 MET HE2 1 1 40 2994 1 1 5 MET HE3 H -2.718 -1.315 -0.154 1.00 . A A . 5 MET HE3 1 1 40 2995 1 1 5 MET HG2 H -1.532 -2.274 3.033 1.00 . A A . 5 MET HG2 1 1 40 2996 1 1 5 MET HG3 H -1.248 -1.941 1.325 1.00 . A A . 5 MET HG3 1 1 40 2997 1 1 5 MET N N 0.153 -3.459 -0.132 1.00 . A A . 5 MET N 1 1 40 2998 1 1 5 MET O O -3.156 -4.887 -0.058 1.00 . A A . 5 MET O 1 1 40 2999 1 1 5 MET OXT O -2.097 -3.640 -1.530 1.00 . A A . 5 MET OXT 1 1 40 3000 1 1 5 MET SD S -3.524 -2.495 1.749 1.00 . A A . 5 MET SD 1 1 41 3001 1 1 1 TYR C C 1.538 3.513 0.067 1.00 . A A . 1 TYR C 1 1 41 3002 1 1 1 TYR CA C 0.632 3.507 1.293 1.00 . A A . 1 TYR CA 1 1 41 3003 1 1 1 TYR CB C -0.566 4.432 1.064 1.00 . A A . 1 TYR CB 1 1 41 3004 1 1 1 TYR CD1 C -2.483 2.837 0.657 1.00 . A A . 1 TYR CD1 1 1 41 3005 1 1 1 TYR CD2 C -1.805 4.264 -1.128 1.00 . A A . 1 TYR CD2 1 1 41 3006 1 1 1 TYR CE1 C -3.462 2.288 -0.149 1.00 . A A . 1 TYR CE1 1 1 41 3007 1 1 1 TYR CE2 C -2.780 3.720 -1.940 1.00 . A A . 1 TYR CE2 1 1 41 3008 1 1 1 TYR CG C -1.639 3.833 0.182 1.00 . A A . 1 TYR CG 1 1 41 3009 1 1 1 TYR CZ C -3.607 2.732 -1.446 1.00 . A A . 1 TYR CZ 1 1 41 3010 1 1 1 TYR H1 H 1.375 5.007 2.490 1.00 . A A . 1 TYR H1 1 1 41 3011 1 1 1 TYR H2 H 2.324 3.577 2.462 1.00 . A A . 1 TYR H2 1 1 41 3012 1 1 1 TYR H3 H 0.848 3.613 3.337 1.00 . A A . 1 TYR H3 1 1 41 3013 1 1 1 TYR HA H 0.277 2.502 1.467 1.00 . A A . 1 TYR HA 1 1 41 3014 1 1 1 TYR HB2 H -1.015 4.673 2.014 1.00 . A A . 1 TYR HB2 1 1 41 3015 1 1 1 TYR HB3 H -0.221 5.340 0.592 1.00 . A A . 1 TYR HB3 1 1 41 3016 1 1 1 TYR HD1 H -2.366 2.491 1.674 1.00 . A A . 1 TYR HD1 1 1 41 3017 1 1 1 TYR HD2 H -1.155 5.037 -1.511 1.00 . A A . 1 TYR HD2 1 1 41 3018 1 1 1 TYR HE1 H -4.109 1.515 0.239 1.00 . A A . 1 TYR HE1 1 1 41 3019 1 1 1 TYR HE2 H -2.890 4.069 -2.956 1.00 . A A . 1 TYR HE2 1 1 41 3020 1 1 1 TYR HH H -4.483 1.234 -2.272 1.00 . A A . 1 TYR HH 1 1 41 3021 1 1 1 TYR N N 1.360 3.968 2.505 1.00 . A A . 1 TYR N 1 1 41 3022 1 1 1 TYR O O 2.692 3.937 0.135 1.00 . A A . 1 TYR O 1 1 41 3023 1 1 1 TYR OH O -4.580 2.189 -2.252 1.00 . A A . 1 TYR OH 1 1 41 3024 1 1 2 GLY C C 1.361 1.848 -3.184 1.00 . A A . 2 GLY C 1 1 41 3025 1 1 2 GLY CA C 1.768 2.999 -2.283 1.00 . A A . 2 GLY CA 1 1 41 3026 1 1 2 GLY H H 0.084 2.719 -1.046 1.00 . A A . 2 GLY H 1 1 41 3027 1 1 2 GLY HA2 H 1.614 3.925 -2.814 1.00 . A A . 2 GLY HA2 1 1 41 3028 1 1 2 GLY HA3 H 2.815 2.902 -2.042 1.00 . A A . 2 GLY HA3 1 1 41 3029 1 1 2 GLY N N 1.005 3.040 -1.055 1.00 . A A . 2 GLY N 1 1 41 3030 1 1 2 GLY O O 1.603 1.881 -4.390 1.00 . A A . 2 GLY O 1 1 41 3031 1 1 3 GLY C C 1.029 -1.592 -2.987 1.00 . A A . 3 GLY C 1 1 41 3032 1 1 3 GLY CA C 0.304 -0.318 -3.375 1.00 . A A . 3 GLY CA 1 1 41 3033 1 1 3 GLY H H 0.569 0.858 -1.634 1.00 . A A . 3 GLY H 1 1 41 3034 1 1 3 GLY HA2 H -0.755 -0.462 -3.219 1.00 . A A . 3 GLY HA2 1 1 41 3035 1 1 3 GLY HA3 H 0.481 -0.121 -4.421 1.00 . A A . 3 GLY HA3 1 1 41 3036 1 1 3 GLY N N 0.738 0.829 -2.599 1.00 . A A . 3 GLY N 1 1 41 3037 1 1 3 GLY O O 1.201 -2.491 -3.809 1.00 . A A . 3 GLY O 1 1 41 3038 1 1 4 PHE C C 1.170 -3.896 -0.738 1.00 . A A . 4 PHE C 1 1 41 3039 1 1 4 PHE CA C 2.156 -2.847 -1.232 1.00 . A A . 4 PHE CA 1 1 41 3040 1 1 4 PHE CB C 3.114 -2.464 -0.102 1.00 . A A . 4 PHE CB 1 1 41 3041 1 1 4 PHE CD1 C 1.606 -1.885 1.820 1.00 . A A . 4 PHE CD1 1 1 41 3042 1 1 4 PHE CD2 C 2.925 -0.150 0.851 1.00 . A A . 4 PHE CD2 1 1 41 3043 1 1 4 PHE CE1 C 1.074 -0.982 2.721 1.00 . A A . 4 PHE CE1 1 1 41 3044 1 1 4 PHE CE2 C 2.396 0.758 1.748 1.00 . A A . 4 PHE CE2 1 1 41 3045 1 1 4 PHE CG C 2.537 -1.480 0.876 1.00 . A A . 4 PHE CG 1 1 41 3046 1 1 4 PHE CZ C 1.470 0.341 2.685 1.00 . A A . 4 PHE CZ 1 1 41 3047 1 1 4 PHE H H 1.279 -0.922 -1.121 1.00 . A A . 4 PHE H 1 1 41 3048 1 1 4 PHE HA H 2.725 -3.262 -2.051 1.00 . A A . 4 PHE HA 1 1 41 3049 1 1 4 PHE HB2 H 3.383 -3.353 0.445 1.00 . A A . 4 PHE HB2 1 1 41 3050 1 1 4 PHE HB3 H 4.004 -2.027 -0.528 1.00 . A A . 4 PHE HB3 1 1 41 3051 1 1 4 PHE HD1 H 1.297 -2.920 1.849 1.00 . A A . 4 PHE HD1 1 1 41 3052 1 1 4 PHE HD2 H 3.649 0.177 0.118 1.00 . A A . 4 PHE HD2 1 1 41 3053 1 1 4 PHE HE1 H 0.350 -1.310 3.452 1.00 . A A . 4 PHE HE1 1 1 41 3054 1 1 4 PHE HE2 H 2.708 1.790 1.718 1.00 . A A . 4 PHE HE2 1 1 41 3055 1 1 4 PHE HZ H 1.055 1.049 3.387 1.00 . A A . 4 PHE HZ 1 1 41 3056 1 1 4 PHE N N 1.450 -1.670 -1.729 1.00 . A A . 4 PHE N 1 1 41 3057 1 1 4 PHE O O 1.373 -5.096 -0.925 1.00 . A A . 4 PHE O 1 1 41 3058 1 1 5 MET C C -1.700 -4.994 -0.708 1.00 . A A . 5 MET C 1 1 41 3059 1 1 5 MET CA C -0.927 -4.322 0.423 1.00 . A A . 5 MET CA 1 1 41 3060 1 1 5 MET CB C -1.890 -3.544 1.322 1.00 . A A . 5 MET CB 1 1 41 3061 1 1 5 MET CE C -3.406 -0.490 2.571 1.00 . A A . 5 MET CE 1 1 41 3062 1 1 5 MET CG C -2.412 -2.265 0.689 1.00 . A A . 5 MET CG 1 1 41 3063 1 1 5 MET H H -0.001 -2.464 0.010 1.00 . A A . 5 MET H 1 1 41 3064 1 1 5 MET HA H -0.436 -5.083 1.010 1.00 . A A . 5 MET HA 1 1 41 3065 1 1 5 MET HB2 H -2.734 -4.175 1.557 1.00 . A A . 5 MET HB2 1 1 41 3066 1 1 5 MET HB3 H -1.379 -3.285 2.237 1.00 . A A . 5 MET HB3 1 1 41 3067 1 1 5 MET HE1 H -4.104 0.334 2.592 1.00 . A A . 5 MET HE1 1 1 41 3068 1 1 5 MET HE2 H -2.433 -0.131 2.269 1.00 . A A . 5 MET HE2 1 1 41 3069 1 1 5 MET HE3 H -3.339 -0.929 3.556 1.00 . A A . 5 MET HE3 1 1 41 3070 1 1 5 MET HG2 H -1.679 -1.484 0.831 1.00 . A A . 5 MET HG2 1 1 41 3071 1 1 5 MET HG3 H -2.555 -2.435 -0.368 1.00 . A A . 5 MET HG3 1 1 41 3072 1 1 5 MET N N 0.100 -3.432 -0.105 1.00 . A A . 5 MET N 1 1 41 3073 1 1 5 MET O O -2.061 -4.291 -1.676 1.00 . A A . 5 MET O 1 1 41 3074 1 1 5 MET OXT O -1.935 -6.218 -0.617 1.00 . A A . 5 MET OXT 1 1 41 3075 1 1 5 MET SD S -3.976 -1.724 1.405 1.00 . A A . 5 MET SD 1 1 42 3076 1 1 1 TYR C C 1.393 3.344 0.171 1.00 . A A . 1 TYR C 1 1 42 3077 1 1 1 TYR CA C 0.388 3.339 1.319 1.00 . A A . 1 TYR CA 1 1 42 3078 1 1 1 TYR CB C -0.737 4.336 1.036 1.00 . A A . 1 TYR CB 1 1 42 3079 1 1 1 TYR CD1 C -2.625 2.813 0.337 1.00 . A A . 1 TYR CD1 1 1 42 3080 1 1 1 TYR CD2 C -1.817 4.404 -1.242 1.00 . A A . 1 TYR CD2 1 1 42 3081 1 1 1 TYR CE1 C -3.547 2.358 -0.588 1.00 . A A . 1 TYR CE1 1 1 42 3082 1 1 1 TYR CE2 C -2.735 3.957 -2.171 1.00 . A A . 1 TYR CE2 1 1 42 3083 1 1 1 TYR CG C -1.747 3.843 0.027 1.00 . A A . 1 TYR CG 1 1 42 3084 1 1 1 TYR CZ C -3.598 2.933 -1.840 1.00 . A A . 1 TYR CZ 1 1 42 3085 1 1 1 TYR H1 H 1.534 2.867 2.963 1.00 . A A . 1 TYR H1 1 1 42 3086 1 1 1 TYR H2 H 0.291 4.011 3.262 1.00 . A A . 1 TYR H2 1 1 42 3087 1 1 1 TYR H3 H 1.706 4.481 2.412 1.00 . A A . 1 TYR H3 1 1 42 3088 1 1 1 TYR HA H -0.030 2.349 1.417 1.00 . A A . 1 TYR HA 1 1 42 3089 1 1 1 TYR HB2 H -1.262 4.547 1.955 1.00 . A A . 1 TYR HB2 1 1 42 3090 1 1 1 TYR HB3 H -0.308 5.250 0.655 1.00 . A A . 1 TYR HB3 1 1 42 3091 1 1 1 TYR HD1 H -2.584 2.364 1.319 1.00 . A A . 1 TYR HD1 1 1 42 3092 1 1 1 TYR HD2 H -1.140 5.206 -1.498 1.00 . A A . 1 TYR HD2 1 1 42 3093 1 1 1 TYR HE1 H -4.223 1.557 -0.327 1.00 . A A . 1 TYR HE1 1 1 42 3094 1 1 1 TYR HE2 H -2.771 4.406 -3.152 1.00 . A A . 1 TYR HE2 1 1 42 3095 1 1 1 TYR HH H -5.401 2.609 -2.422 1.00 . A A . 1 TYR HH 1 1 42 3096 1 1 1 TYR N N 1.038 3.708 2.604 1.00 . A A . 1 TYR N 1 1 42 3097 1 1 1 TYR O O 2.562 3.684 0.356 1.00 . A A . 1 TYR O 1 1 42 3098 1 1 1 TYR OH O -4.513 2.483 -2.764 1.00 . A A . 1 TYR OH 1 1 42 3099 1 1 2 GLY C C 1.450 1.793 -3.119 1.00 . A A . 2 GLY C 1 1 42 3100 1 1 2 GLY CA C 1.787 2.934 -2.178 1.00 . A A . 2 GLY CA 1 1 42 3101 1 1 2 GLY H H -0.010 2.711 -1.101 1.00 . A A . 2 GLY H 1 1 42 3102 1 1 2 GLY HA2 H 1.682 3.867 -2.712 1.00 . A A . 2 GLY HA2 1 1 42 3103 1 1 2 GLY HA3 H 2.812 2.830 -1.854 1.00 . A A . 2 GLY HA3 1 1 42 3104 1 1 2 GLY N N 0.927 2.967 -1.015 1.00 . A A . 2 GLY N 1 1 42 3105 1 1 2 GLY O O 1.823 1.816 -4.293 1.00 . A A . 2 GLY O 1 1 42 3106 1 1 3 GLY C C 1.099 -1.609 -3.031 1.00 . A A . 3 GLY C 1 1 42 3107 1 1 3 GLY CA C 0.362 -0.346 -3.421 1.00 . A A . 3 GLY CA 1 1 42 3108 1 1 3 GLY H H 0.469 0.829 -1.664 1.00 . A A . 3 GLY H 1 1 42 3109 1 1 3 GLY HA2 H -0.699 -0.514 -3.313 1.00 . A A . 3 GLY HA2 1 1 42 3110 1 1 3 GLY HA3 H 0.576 -0.122 -4.456 1.00 . A A . 3 GLY HA3 1 1 42 3111 1 1 3 GLY N N 0.740 0.793 -2.606 1.00 . A A . 3 GLY N 1 1 42 3112 1 1 3 GLY O O 1.320 -2.491 -3.862 1.00 . A A . 3 GLY O 1 1 42 3113 1 1 4 PHE C C 1.209 -3.943 -0.804 1.00 . A A . 4 PHE C 1 1 42 3114 1 1 4 PHE CA C 2.188 -2.869 -1.258 1.00 . A A . 4 PHE CA 1 1 42 3115 1 1 4 PHE CB C 3.108 -2.482 -0.098 1.00 . A A . 4 PHE CB 1 1 42 3116 1 1 4 PHE CD1 C 1.557 -1.928 1.797 1.00 . A A . 4 PHE CD1 1 1 42 3117 1 1 4 PHE CD2 C 2.857 -0.170 0.843 1.00 . A A . 4 PHE CD2 1 1 42 3118 1 1 4 PHE CE1 C 0.993 -1.032 2.685 1.00 . A A . 4 PHE CE1 1 1 42 3119 1 1 4 PHE CE2 C 2.296 0.730 1.729 1.00 . A A . 4 PHE CE2 1 1 42 3120 1 1 4 PHE CG C 2.495 -1.507 0.867 1.00 . A A . 4 PHE CG 1 1 42 3121 1 1 4 PHE CZ C 1.362 0.298 2.651 1.00 . A A . 4 PHE CZ 1 1 42 3122 1 1 4 PHE H H 1.267 -0.965 -1.147 1.00 . A A . 4 PHE H 1 1 42 3123 1 1 4 PHE HA H 2.788 -3.264 -2.065 1.00 . A A . 4 PHE HA 1 1 42 3124 1 1 4 PHE HB2 H 3.368 -3.371 0.454 1.00 . A A . 4 PHE HB2 1 1 42 3125 1 1 4 PHE HB3 H 4.007 -2.035 -0.496 1.00 . A A . 4 PHE HB3 1 1 42 3126 1 1 4 PHE HD1 H 1.268 -2.968 1.824 1.00 . A A . 4 PHE HD1 1 1 42 3127 1 1 4 PHE HD2 H 3.585 0.169 0.121 1.00 . A A . 4 PHE HD2 1 1 42 3128 1 1 4 PHE HE1 H 0.264 -1.372 3.405 1.00 . A A . 4 PHE HE1 1 1 42 3129 1 1 4 PHE HE2 H 2.587 1.770 1.699 1.00 . A A . 4 PHE HE2 1 1 42 3130 1 1 4 PHE HZ H 0.923 1.000 3.344 1.00 . A A . 4 PHE HZ 1 1 42 3131 1 1 4 PHE N N 1.476 -1.700 -1.761 1.00 . A A . 4 PHE N 1 1 42 3132 1 1 4 PHE O O 1.443 -5.136 -0.996 1.00 . A A . 4 PHE O 1 1 42 3133 1 1 5 MET C C -1.960 -4.694 -0.791 1.00 . A A . 5 MET C 1 1 42 3134 1 1 5 MET CA C -0.911 -4.427 0.286 1.00 . A A . 5 MET CA 1 1 42 3135 1 1 5 MET CB C -1.582 -3.865 1.542 1.00 . A A . 5 MET CB 1 1 42 3136 1 1 5 MET CE C -2.913 -0.149 2.732 1.00 . A A . 5 MET CE 1 1 42 3137 1 1 5 MET CG C -1.981 -2.403 1.418 1.00 . A A . 5 MET CG 1 1 42 3138 1 1 5 MET H H -0.015 -2.543 -0.079 1.00 . A A . 5 MET H 1 1 42 3139 1 1 5 MET HA H -0.426 -5.359 0.535 1.00 . A A . 5 MET HA 1 1 42 3140 1 1 5 MET HB2 H -2.470 -4.442 1.751 1.00 . A A . 5 MET HB2 1 1 42 3141 1 1 5 MET HB3 H -0.899 -3.959 2.373 1.00 . A A . 5 MET HB3 1 1 42 3142 1 1 5 MET HE1 H -3.605 0.297 3.430 1.00 . A A . 5 MET HE1 1 1 42 3143 1 1 5 MET HE2 H -3.053 0.290 1.755 1.00 . A A . 5 MET HE2 1 1 42 3144 1 1 5 MET HE3 H -1.902 0.027 3.065 1.00 . A A . 5 MET HE3 1 1 42 3145 1 1 5 MET HG2 H -1.101 -1.792 1.549 1.00 . A A . 5 MET HG2 1 1 42 3146 1 1 5 MET HG3 H -2.389 -2.238 0.431 1.00 . A A . 5 MET HG3 1 1 42 3147 1 1 5 MET N N 0.111 -3.508 -0.200 1.00 . A A . 5 MET N 1 1 42 3148 1 1 5 MET O O -1.725 -5.584 -1.635 1.00 . A A . 5 MET O 1 1 42 3149 1 1 5 MET OXT O -3.006 -4.011 -0.780 1.00 . A A . 5 MET OXT 1 1 42 3150 1 1 5 MET SD S -3.212 -1.913 2.641 1.00 . A A . 5 MET SD 1 1 43 3151 1 1 1 TYR C C 1.630 3.679 -0.114 1.00 . A A . 1 TYR C 1 1 43 3152 1 1 1 TYR CA C 0.762 3.648 1.139 1.00 . A A . 1 TYR CA 1 1 43 3153 1 1 1 TYR CB C -0.490 4.501 0.928 1.00 . A A . 1 TYR CB 1 1 43 3154 1 1 1 TYR CD1 C -2.353 2.818 0.652 1.00 . A A . 1 TYR CD1 1 1 43 3155 1 1 1 TYR CD2 C -1.772 4.175 -1.220 1.00 . A A . 1 TYR CD2 1 1 43 3156 1 1 1 TYR CE1 C -3.327 2.191 -0.100 1.00 . A A . 1 TYR CE1 1 1 43 3157 1 1 1 TYR CE2 C -2.743 3.553 -1.979 1.00 . A A . 1 TYR CE2 1 1 43 3158 1 1 1 TYR CG C -1.560 3.819 0.106 1.00 . A A . 1 TYR CG 1 1 43 3159 1 1 1 TYR CZ C -3.519 2.562 -1.415 1.00 . A A . 1 TYR CZ 1 1 43 3160 1 1 1 TYR H1 H 0.893 4.044 3.154 1.00 . A A . 1 TYR H1 1 1 43 3161 1 1 1 TYR H2 H 1.691 5.182 2.147 1.00 . A A . 1 TYR H2 1 1 43 3162 1 1 1 TYR H3 H 2.381 3.634 2.409 1.00 . A A . 1 TYR H3 1 1 43 3163 1 1 1 TYR HA H 0.468 2.630 1.341 1.00 . A A . 1 TYR HA 1 1 43 3164 1 1 1 TYR HB2 H -0.916 4.750 1.887 1.00 . A A . 1 TYR HB2 1 1 43 3165 1 1 1 TYR HB3 H -0.211 5.409 0.416 1.00 . A A . 1 TYR HB3 1 1 43 3166 1 1 1 TYR HD1 H -2.201 2.531 1.682 1.00 . A A . 1 TYR HD1 1 1 43 3167 1 1 1 TYR HD2 H -1.162 4.951 -1.658 1.00 . A A . 1 TYR HD2 1 1 43 3168 1 1 1 TYR HE1 H -3.935 1.415 0.342 1.00 . A A . 1 TYR HE1 1 1 43 3169 1 1 1 TYR HE2 H -2.889 3.843 -3.008 1.00 . A A . 1 TYR HE2 1 1 43 3170 1 1 1 TYR HH H -5.247 1.741 -1.615 1.00 . A A . 1 TYR HH 1 1 43 3171 1 1 1 TYR N N 1.498 4.174 2.319 1.00 . A A . 1 TYR N 1 1 43 3172 1 1 1 TYR O O 2.755 4.183 -0.093 1.00 . A A . 1 TYR O 1 1 43 3173 1 1 1 TYR OH O -4.488 1.939 -2.168 1.00 . A A . 1 TYR OH 1 1 43 3174 1 1 2 GLY C C 1.442 1.940 -3.331 1.00 . A A . 2 GLY C 1 1 43 3175 1 1 2 GLY CA C 1.825 3.117 -2.456 1.00 . A A . 2 GLY CA 1 1 43 3176 1 1 2 GLY H H 0.202 2.762 -1.161 1.00 . A A . 2 GLY H 1 1 43 3177 1 1 2 GLY HA2 H 1.616 4.030 -2.992 1.00 . A A . 2 GLY HA2 1 1 43 3178 1 1 2 GLY HA3 H 2.882 3.068 -2.245 1.00 . A A . 2 GLY HA3 1 1 43 3179 1 1 2 GLY N N 1.098 3.142 -1.205 1.00 . A A . 2 GLY N 1 1 43 3180 1 1 2 GLY O O 1.582 1.996 -4.554 1.00 . A A . 2 GLY O 1 1 43 3181 1 1 3 GLY C C 1.293 -1.555 -3.018 1.00 . A A . 3 GLY C 1 1 43 3182 1 1 3 GLY CA C 0.555 -0.306 -3.458 1.00 . A A . 3 GLY CA 1 1 43 3183 1 1 3 GLY H H 0.863 0.883 -1.733 1.00 . A A . 3 GLY H 1 1 43 3184 1 1 3 GLY HA2 H -0.504 -0.463 -3.321 1.00 . A A . 3 GLY HA2 1 1 43 3185 1 1 3 GLY HA3 H 0.751 -0.137 -4.506 1.00 . A A . 3 GLY HA3 1 1 43 3186 1 1 3 GLY N N 0.955 0.872 -2.708 1.00 . A A . 3 GLY N 1 1 43 3187 1 1 3 GLY O O 1.650 -2.396 -3.843 1.00 . A A . 3 GLY O 1 1 43 3188 1 1 4 PHE C C 1.219 -3.924 -0.773 1.00 . A A . 4 PHE C 1 1 43 3189 1 1 4 PHE CA C 2.210 -2.837 -1.165 1.00 . A A . 4 PHE CA 1 1 43 3190 1 1 4 PHE CB C 3.043 -2.432 0.052 1.00 . A A . 4 PHE CB 1 1 43 3191 1 1 4 PHE CD1 C 1.366 -2.018 1.873 1.00 . A A . 4 PHE CD1 1 1 43 3192 1 1 4 PHE CD2 C 2.600 -0.162 1.024 1.00 . A A . 4 PHE CD2 1 1 43 3193 1 1 4 PHE CE1 C 0.702 -1.180 2.748 1.00 . A A . 4 PHE CE1 1 1 43 3194 1 1 4 PHE CE2 C 1.938 0.681 1.897 1.00 . A A . 4 PHE CE2 1 1 43 3195 1 1 4 PHE CG C 2.322 -1.519 1.002 1.00 . A A . 4 PHE CG 1 1 43 3196 1 1 4 PHE CZ C 0.988 0.171 2.761 1.00 . A A . 4 PHE CZ 1 1 43 3197 1 1 4 PHE H H 1.204 -0.976 -1.108 1.00 . A A . 4 PHE H 1 1 43 3198 1 1 4 PHE HA H 2.868 -3.223 -1.929 1.00 . A A . 4 PHE HA 1 1 43 3199 1 1 4 PHE HB2 H 3.323 -3.320 0.596 1.00 . A A . 4 PHE HB2 1 1 43 3200 1 1 4 PHE HB3 H 3.935 -1.925 -0.284 1.00 . A A . 4 PHE HB3 1 1 43 3201 1 1 4 PHE HD1 H 1.142 -3.075 1.864 1.00 . A A . 4 PHE HD1 1 1 43 3202 1 1 4 PHE HD2 H 3.343 0.237 0.350 1.00 . A A . 4 PHE HD2 1 1 43 3203 1 1 4 PHE HE1 H -0.041 -1.581 3.421 1.00 . A A . 4 PHE HE1 1 1 43 3204 1 1 4 PHE HE2 H 2.165 1.736 1.904 1.00 . A A . 4 PHE HE2 1 1 43 3205 1 1 4 PHE HZ H 0.470 0.828 3.443 1.00 . A A . 4 PHE HZ 1 1 43 3206 1 1 4 PHE N N 1.516 -1.679 -1.715 1.00 . A A . 4 PHE N 1 1 43 3207 1 1 4 PHE O O 1.473 -5.113 -0.964 1.00 . A A . 4 PHE O 1 1 43 3208 1 1 5 MET C C -1.998 -4.621 -0.891 1.00 . A A . 5 MET C 1 1 43 3209 1 1 5 MET CA C -0.951 -4.437 0.203 1.00 . A A . 5 MET CA 1 1 43 3210 1 1 5 MET CB C -1.620 -3.938 1.485 1.00 . A A . 5 MET CB 1 1 43 3211 1 1 5 MET CE C -3.626 -0.533 2.641 1.00 . A A . 5 MET CE 1 1 43 3212 1 1 5 MET CG C -2.223 -2.548 1.356 1.00 . A A . 5 MET CG 1 1 43 3213 1 1 5 MET H H -0.054 -2.543 -0.096 1.00 . A A . 5 MET H 1 1 43 3214 1 1 5 MET HA H -0.481 -5.389 0.399 1.00 . A A . 5 MET HA 1 1 43 3215 1 1 5 MET HB2 H -2.408 -4.625 1.757 1.00 . A A . 5 MET HB2 1 1 43 3216 1 1 5 MET HB3 H -0.884 -3.916 2.276 1.00 . A A . 5 MET HB3 1 1 43 3217 1 1 5 MET HE1 H -3.525 -0.301 3.690 1.00 . A A . 5 MET HE1 1 1 43 3218 1 1 5 MET HE2 H -4.545 -0.109 2.264 1.00 . A A . 5 MET HE2 1 1 43 3219 1 1 5 MET HE3 H -2.790 -0.119 2.098 1.00 . A A . 5 MET HE3 1 1 43 3220 1 1 5 MET HG2 H -1.470 -1.819 1.620 1.00 . A A . 5 MET HG2 1 1 43 3221 1 1 5 MET HG3 H -2.525 -2.396 0.331 1.00 . A A . 5 MET HG3 1 1 43 3222 1 1 5 MET N N 0.086 -3.505 -0.221 1.00 . A A . 5 MET N 1 1 43 3223 1 1 5 MET O O -3.130 -5.034 -0.563 1.00 . A A . 5 MET O 1 1 43 3224 1 1 5 MET OXT O -1.678 -4.349 -2.068 1.00 . A A . 5 MET OXT 1 1 43 3225 1 1 5 MET SD S -3.656 -2.311 2.423 1.00 . A A . 5 MET SD 1 1 44 3226 1 1 1 TYR C C 1.452 3.362 0.176 1.00 . A A . 1 TYR C 1 1 44 3227 1 1 1 TYR CA C 0.478 3.311 1.348 1.00 . A A . 1 TYR CA 1 1 44 3228 1 1 1 TYR CB C -0.698 4.256 1.094 1.00 . A A . 1 TYR CB 1 1 44 3229 1 1 1 TYR CD1 C -2.609 2.701 0.537 1.00 . A A . 1 TYR CD1 1 1 44 3230 1 1 1 TYR CD2 C -1.825 4.179 -1.161 1.00 . A A . 1 TYR CD2 1 1 44 3231 1 1 1 TYR CE1 C -3.551 2.192 -0.336 1.00 . A A . 1 TYR CE1 1 1 44 3232 1 1 1 TYR CE2 C -2.764 3.675 -2.040 1.00 . A A . 1 TYR CE2 1 1 44 3233 1 1 1 TYR CG C -1.731 3.702 0.140 1.00 . A A . 1 TYR CG 1 1 44 3234 1 1 1 TYR CZ C -3.625 2.682 -1.623 1.00 . A A . 1 TYR CZ 1 1 44 3235 1 1 1 TYR H1 H 1.891 3.019 2.815 1.00 . A A . 1 TYR H1 1 1 44 3236 1 1 1 TYR H2 H 0.417 3.702 3.367 1.00 . A A . 1 TYR H2 1 1 44 3237 1 1 1 TYR H3 H 1.534 4.661 2.485 1.00 . A A . 1 TYR H3 1 1 44 3238 1 1 1 TYR HA H 0.107 2.301 1.455 1.00 . A A . 1 TYR HA 1 1 44 3239 1 1 1 TYR HB2 H -1.191 4.466 2.031 1.00 . A A . 1 TYR HB2 1 1 44 3240 1 1 1 TYR HB3 H -0.322 5.177 0.676 1.00 . A A . 1 TYR HB3 1 1 44 3241 1 1 1 TYR HD1 H -2.548 2.319 1.545 1.00 . A A . 1 TYR HD1 1 1 44 3242 1 1 1 TYR HD2 H -1.150 4.956 -1.485 1.00 . A A . 1 TYR HD2 1 1 44 3243 1 1 1 TYR HE1 H -4.226 1.414 -0.008 1.00 . A A . 1 TYR HE1 1 1 44 3244 1 1 1 TYR HE2 H -2.818 4.058 -3.047 1.00 . A A . 1 TYR HE2 1 1 44 3245 1 1 1 TYR HH H -4.928 2.893 -3.021 1.00 . A A . 1 TYR HH 1 1 44 3246 1 1 1 TYR N N 1.140 3.709 2.618 1.00 . A A . 1 TYR N 1 1 44 3247 1 1 1 TYR O O 2.603 3.772 0.328 1.00 . A A . 1 TYR O 1 1 44 3248 1 1 1 TYR OH O -4.562 2.178 -2.495 1.00 . A A . 1 TYR OH 1 1 44 3249 1 1 2 GLY C C 1.477 1.821 -3.132 1.00 . A A . 2 GLY C 1 1 44 3250 1 1 2 GLY CA C 1.811 2.954 -2.180 1.00 . A A . 2 GLY CA 1 1 44 3251 1 1 2 GLY H H 0.058 2.634 -1.054 1.00 . A A . 2 GLY H 1 1 44 3252 1 1 2 GLY HA2 H 1.669 3.892 -2.693 1.00 . A A . 2 GLY HA2 1 1 44 3253 1 1 2 GLY HA3 H 2.845 2.869 -1.884 1.00 . A A . 2 GLY HA3 1 1 44 3254 1 1 2 GLY N N 0.980 2.947 -0.995 1.00 . A A . 2 GLY N 1 1 44 3255 1 1 2 GLY O O 1.815 1.877 -4.315 1.00 . A A . 2 GLY O 1 1 44 3256 1 1 3 GLY C C 1.111 -1.624 -3.020 1.00 . A A . 3 GLY C 1 1 44 3257 1 1 3 GLY CA C 0.435 -0.338 -3.448 1.00 . A A . 3 GLY CA 1 1 44 3258 1 1 3 GLY H H 0.560 0.805 -1.671 1.00 . A A . 3 GLY H 1 1 44 3259 1 1 3 GLY HA2 H -0.636 -0.474 -3.389 1.00 . A A . 3 GLY HA2 1 1 44 3260 1 1 3 GLY HA3 H 0.704 -0.125 -4.472 1.00 . A A . 3 GLY HA3 1 1 44 3261 1 1 3 GLY N N 0.807 0.794 -2.619 1.00 . A A . 3 GLY N 1 1 44 3262 1 1 3 GLY O O 1.270 -2.546 -3.821 1.00 . A A . 3 GLY O 1 1 44 3263 1 1 4 PHE C C 1.128 -3.886 -0.729 1.00 . A A . 4 PHE C 1 1 44 3264 1 1 4 PHE CA C 2.161 -2.881 -1.221 1.00 . A A . 4 PHE CA 1 1 44 3265 1 1 4 PHE CB C 3.107 -2.510 -0.079 1.00 . A A . 4 PHE CB 1 1 44 3266 1 1 4 PHE CD1 C 1.583 -1.792 1.782 1.00 . A A . 4 PHE CD1 1 1 44 3267 1 1 4 PHE CD2 C 3.023 -0.163 0.802 1.00 . A A . 4 PHE CD2 1 1 44 3268 1 1 4 PHE CE1 C 1.079 -0.833 2.641 1.00 . A A . 4 PHE CE1 1 1 44 3269 1 1 4 PHE CE2 C 2.523 0.800 1.657 1.00 . A A . 4 PHE CE2 1 1 44 3270 1 1 4 PHE CG C 2.559 -1.467 0.854 1.00 . A A . 4 PHE CG 1 1 44 3271 1 1 4 PHE CZ C 1.550 0.465 2.579 1.00 . A A . 4 PHE CZ 1 1 44 3272 1 1 4 PHE H H 1.345 -0.929 -1.161 1.00 . A A . 4 PHE H 1 1 44 3273 1 1 4 PHE HA H 2.731 -3.331 -2.020 1.00 . A A . 4 PHE HA 1 1 44 3274 1 1 4 PHE HB2 H 3.315 -3.393 0.504 1.00 . A A . 4 PHE HB2 1 1 44 3275 1 1 4 PHE HB3 H 4.029 -2.134 -0.494 1.00 . A A . 4 PHE HB3 1 1 44 3276 1 1 4 PHE HD1 H 1.215 -2.806 1.831 1.00 . A A . 4 PHE HD1 1 1 44 3277 1 1 4 PHE HD2 H 3.784 0.101 0.082 1.00 . A A . 4 PHE HD2 1 1 44 3278 1 1 4 PHE HE1 H 0.317 -1.098 3.360 1.00 . A A . 4 PHE HE1 1 1 44 3279 1 1 4 PHE HE2 H 2.892 1.813 1.606 1.00 . A A . 4 PHE HE2 1 1 44 3280 1 1 4 PHE HZ H 1.156 1.215 3.248 1.00 . A A . 4 PHE HZ 1 1 44 3281 1 1 4 PHE N N 1.505 -1.692 -1.753 1.00 . A A . 4 PHE N 1 1 44 3282 1 1 4 PHE O O 1.303 -5.096 -0.873 1.00 . A A . 4 PHE O 1 1 44 3283 1 1 5 MET C C -1.872 -4.767 -0.767 1.00 . A A . 5 MET C 1 1 44 3284 1 1 5 MET CA C -1.018 -4.215 0.370 1.00 . A A . 5 MET CA 1 1 44 3285 1 1 5 MET CB C -1.893 -3.422 1.343 1.00 . A A . 5 MET CB 1 1 44 3286 1 1 5 MET CE C -2.833 -0.501 2.973 1.00 . A A . 5 MET CE 1 1 44 3287 1 1 5 MET CG C -2.425 -2.123 0.763 1.00 . A A . 5 MET CG 1 1 44 3288 1 1 5 MET H H -0.022 -2.397 -0.067 1.00 . A A . 5 MET H 1 1 44 3289 1 1 5 MET HA H -0.563 -5.040 0.897 1.00 . A A . 5 MET HA 1 1 44 3290 1 1 5 MET HB2 H -2.735 -4.035 1.631 1.00 . A A . 5 MET HB2 1 1 44 3291 1 1 5 MET HB3 H -1.311 -3.187 2.222 1.00 . A A . 5 MET HB3 1 1 44 3292 1 1 5 MET HE1 H -1.786 -0.751 2.893 1.00 . A A . 5 MET HE1 1 1 44 3293 1 1 5 MET HE2 H -3.189 -0.756 3.960 1.00 . A A . 5 MET HE2 1 1 44 3294 1 1 5 MET HE3 H -2.964 0.558 2.806 1.00 . A A . 5 MET HE3 1 1 44 3295 1 1 5 MET HG2 H -1.618 -1.407 0.716 1.00 . A A . 5 MET HG2 1 1 44 3296 1 1 5 MET HG3 H -2.794 -2.314 -0.234 1.00 . A A . 5 MET HG3 1 1 44 3297 1 1 5 MET N N 0.053 -3.371 -0.149 1.00 . A A . 5 MET N 1 1 44 3298 1 1 5 MET O O -1.361 -4.853 -1.902 1.00 . A A . 5 MET O 1 1 44 3299 1 1 5 MET OXT O -3.047 -5.110 -0.510 1.00 . A A . 5 MET OXT 1 1 44 3300 1 1 5 MET SD S -3.762 -1.418 1.748 1.00 . A A . 5 MET SD 1 1 45 3301 1 1 1 TYR C C 1.175 3.318 0.458 1.00 . A A . 1 TYR C 1 1 45 3302 1 1 1 TYR CA C 0.106 3.090 1.521 1.00 . A A . 1 TYR CA 1 1 45 3303 1 1 1 TYR CB C -1.186 3.811 1.126 1.00 . A A . 1 TYR CB 1 1 45 3304 1 1 1 TYR CD1 C -2.657 1.944 0.267 1.00 . A A . 1 TYR CD1 1 1 45 3305 1 1 1 TYR CD2 C -1.977 3.642 -1.263 1.00 . A A . 1 TYR CD2 1 1 45 3306 1 1 1 TYR CE1 C -3.354 1.309 -0.743 1.00 . A A . 1 TYR CE1 1 1 45 3307 1 1 1 TYR CE2 C -2.673 3.014 -2.277 1.00 . A A . 1 TYR CE2 1 1 45 3308 1 1 1 TYR CG C -1.957 3.119 0.024 1.00 . A A . 1 TYR CG 1 1 45 3309 1 1 1 TYR CZ C -3.359 1.849 -2.013 1.00 . A A . 1 TYR CZ 1 1 45 3310 1 1 1 TYR H1 H 0.021 3.081 3.577 1.00 . A A . 1 TYR H1 1 1 45 3311 1 1 1 TYR H2 H 0.339 4.618 2.882 1.00 . A A . 1 TYR H2 1 1 45 3312 1 1 1 TYR H3 H 1.569 3.422 2.928 1.00 . A A . 1 TYR H3 1 1 45 3313 1 1 1 TYR HA H -0.088 2.032 1.605 1.00 . A A . 1 TYR HA 1 1 45 3314 1 1 1 TYR HB2 H -1.830 3.880 1.988 1.00 . A A . 1 TYR HB2 1 1 45 3315 1 1 1 TYR HB3 H -0.941 4.803 0.783 1.00 . A A . 1 TYR HB3 1 1 45 3316 1 1 1 TYR HD1 H -2.650 1.524 1.263 1.00 . A A . 1 TYR HD1 1 1 45 3317 1 1 1 TYR HD2 H -1.437 4.554 -1.467 1.00 . A A . 1 TYR HD2 1 1 45 3318 1 1 1 TYR HE1 H -3.894 0.397 -0.536 1.00 . A A . 1 TYR HE1 1 1 45 3319 1 1 1 TYR HE2 H -2.673 3.437 -3.270 1.00 . A A . 1 TYR HE2 1 1 45 3320 1 1 1 TYR HH H -4.881 0.878 -2.675 1.00 . A A . 1 TYR HH 1 1 45 3321 1 1 1 TYR N N 0.549 3.599 2.846 1.00 . A A . 1 TYR N 1 1 45 3322 1 1 1 TYR O O 2.216 3.918 0.726 1.00 . A A . 1 TYR O 1 1 45 3323 1 1 1 TYR OH O -4.053 1.221 -3.020 1.00 . A A . 1 TYR OH 1 1 45 3324 1 1 2 GLY C C 1.632 1.968 -2.939 1.00 . A A . 2 GLY C 1 1 45 3325 1 1 2 GLY CA C 1.839 2.995 -1.842 1.00 . A A . 2 GLY CA 1 1 45 3326 1 1 2 GLY H H 0.063 2.376 -0.901 1.00 . A A . 2 GLY H 1 1 45 3327 1 1 2 GLY HA2 H 1.713 3.980 -2.261 1.00 . A A . 2 GLY HA2 1 1 45 3328 1 1 2 GLY HA3 H 2.842 2.901 -1.460 1.00 . A A . 2 GLY HA3 1 1 45 3329 1 1 2 GLY N N 0.905 2.839 -0.750 1.00 . A A . 2 GLY N 1 1 45 3330 1 1 2 GLY O O 2.003 2.197 -4.090 1.00 . A A . 2 GLY O 1 1 45 3331 1 1 3 GLY C C 1.107 -1.599 -3.043 1.00 . A A . 3 GLY C 1 1 45 3332 1 1 3 GLY CA C 0.785 -0.210 -3.562 1.00 . A A . 3 GLY CA 1 1 45 3333 1 1 3 GLY H H 0.755 0.707 -1.653 1.00 . A A . 3 GLY H 1 1 45 3334 1 1 3 GLY HA2 H -0.258 -0.180 -3.841 1.00 . A A . 3 GLY HA2 1 1 45 3335 1 1 3 GLY HA3 H 1.385 -0.016 -4.437 1.00 . A A . 3 GLY HA3 1 1 45 3336 1 1 3 GLY N N 1.033 0.835 -2.584 1.00 . A A . 3 GLY N 1 1 45 3337 1 1 3 GLY O O 0.825 -2.594 -3.710 1.00 . A A . 3 GLY O 1 1 45 3338 1 1 4 PHE C C 0.795 -3.718 -0.845 1.00 . A A . 4 PHE C 1 1 45 3339 1 1 4 PHE CA C 2.046 -2.959 -1.261 1.00 . A A . 4 PHE CA 1 1 45 3340 1 1 4 PHE CB C 2.958 -2.767 -0.048 1.00 . A A . 4 PHE CB 1 1 45 3341 1 1 4 PHE CD1 C 1.598 -1.680 1.759 1.00 . A A . 4 PHE CD1 1 1 45 3342 1 1 4 PHE CD2 C 3.273 -0.382 0.665 1.00 . A A . 4 PHE CD2 1 1 45 3343 1 1 4 PHE CE1 C 1.270 -0.596 2.551 1.00 . A A . 4 PHE CE1 1 1 45 3344 1 1 4 PHE CE2 C 2.950 0.706 1.454 1.00 . A A . 4 PHE CE2 1 1 45 3345 1 1 4 PHE CG C 2.602 -1.585 0.809 1.00 . A A . 4 PHE CG 1 1 45 3346 1 1 4 PHE CZ C 1.947 0.599 2.397 1.00 . A A . 4 PHE CZ 1 1 45 3347 1 1 4 PHE H H 1.896 -0.849 -1.366 1.00 . A A . 4 PHE H 1 1 45 3348 1 1 4 PHE HA H 2.571 -3.535 -2.009 1.00 . A A . 4 PHE HA 1 1 45 3349 1 1 4 PHE HB2 H 2.902 -3.648 0.571 1.00 . A A . 4 PHE HB2 1 1 45 3350 1 1 4 PHE HB3 H 3.975 -2.637 -0.389 1.00 . A A . 4 PHE HB3 1 1 45 3351 1 1 4 PHE HD1 H 1.069 -2.613 1.878 1.00 . A A . 4 PHE HD1 1 1 45 3352 1 1 4 PHE HD2 H 4.057 -0.297 -0.073 1.00 . A A . 4 PHE HD2 1 1 45 3353 1 1 4 PHE HE1 H 0.485 -0.682 3.288 1.00 . A A . 4 PHE HE1 1 1 45 3354 1 1 4 PHE HE2 H 3.481 1.639 1.332 1.00 . A A . 4 PHE HE2 1 1 45 3355 1 1 4 PHE HZ H 1.693 1.447 3.015 1.00 . A A . 4 PHE HZ 1 1 45 3356 1 1 4 PHE N N 1.695 -1.673 -1.855 1.00 . A A . 4 PHE N 1 1 45 3357 1 1 4 PHE O O 0.738 -4.945 -0.937 1.00 . A A . 4 PHE O 1 1 45 3358 1 1 5 MET C C -2.265 -4.083 -1.149 1.00 . A A . 5 MET C 1 1 45 3359 1 1 5 MET CA C -1.463 -3.579 0.046 1.00 . A A . 5 MET CA 1 1 45 3360 1 1 5 MET CB C -2.291 -2.567 0.842 1.00 . A A . 5 MET CB 1 1 45 3361 1 1 5 MET CE C -1.983 0.421 3.412 1.00 . A A . 5 MET CE 1 1 45 3362 1 1 5 MET CG C -1.514 -1.893 1.961 1.00 . A A . 5 MET CG 1 1 45 3363 1 1 5 MET H H -0.095 -2.007 -0.340 1.00 . A A . 5 MET H 1 1 45 3364 1 1 5 MET HA H -1.227 -4.417 0.684 1.00 . A A . 5 MET HA 1 1 45 3365 1 1 5 MET HB2 H -2.646 -1.801 0.168 1.00 . A A . 5 MET HB2 1 1 45 3366 1 1 5 MET HB3 H -3.139 -3.075 1.276 1.00 . A A . 5 MET HB3 1 1 45 3367 1 1 5 MET HE1 H -2.798 1.111 3.246 1.00 . A A . 5 MET HE1 1 1 45 3368 1 1 5 MET HE2 H -1.212 0.592 2.676 1.00 . A A . 5 MET HE2 1 1 45 3369 1 1 5 MET HE3 H -1.577 0.573 4.402 1.00 . A A . 5 MET HE3 1 1 45 3370 1 1 5 MET HG2 H -0.834 -2.612 2.392 1.00 . A A . 5 MET HG2 1 1 45 3371 1 1 5 MET HG3 H -0.951 -1.071 1.546 1.00 . A A . 5 MET HG3 1 1 45 3372 1 1 5 MET N N -0.206 -2.980 -0.387 1.00 . A A . 5 MET N 1 1 45 3373 1 1 5 MET O O -1.683 -4.189 -2.249 1.00 . A A . 5 MET O 1 1 45 3374 1 1 5 MET OXT O -3.468 -4.371 -0.974 1.00 . A A . 5 MET OXT 1 1 45 3375 1 1 5 MET SD S -2.586 -1.260 3.265 1.00 . A A . 5 MET SD 1 1 46 3376 1 1 1 TYR C C 1.671 3.746 -0.150 1.00 . A A . 1 TYR C 1 1 46 3377 1 1 1 TYR CA C 0.858 3.825 1.138 1.00 . A A . 1 TYR CA 1 1 46 3378 1 1 1 TYR CB C -0.376 4.703 0.925 1.00 . A A . 1 TYR CB 1 1 46 3379 1 1 1 TYR CD1 C -2.269 3.038 0.800 1.00 . A A . 1 TYR CD1 1 1 46 3380 1 1 1 TYR CD2 C -1.758 4.315 -1.147 1.00 . A A . 1 TYR CD2 1 1 46 3381 1 1 1 TYR CE1 C -3.284 2.395 0.116 1.00 . A A . 1 TYR CE1 1 1 46 3382 1 1 1 TYR CE2 C -2.771 3.678 -1.837 1.00 . A A . 1 TYR CE2 1 1 46 3383 1 1 1 TYR CG C -1.490 4.007 0.181 1.00 . A A . 1 TYR CG 1 1 46 3384 1 1 1 TYR CZ C -3.531 2.718 -1.202 1.00 . A A . 1 TYR CZ 1 1 46 3385 1 1 1 TYR H1 H 2.146 5.245 1.887 1.00 . A A . 1 TYR H1 1 1 46 3386 1 1 1 TYR H2 H 2.347 3.675 2.552 1.00 . A A . 1 TYR H2 1 1 46 3387 1 1 1 TYR H3 H 1.010 4.643 3.021 1.00 . A A . 1 TYR H3 1 1 46 3388 1 1 1 TYR HA H 0.543 2.831 1.419 1.00 . A A . 1 TYR HA 1 1 46 3389 1 1 1 TYR HB2 H -0.760 5.015 1.883 1.00 . A A . 1 TYR HB2 1 1 46 3390 1 1 1 TYR HB3 H -0.090 5.573 0.354 1.00 . A A . 1 TYR HB3 1 1 46 3391 1 1 1 TYR HD1 H -2.073 2.787 1.832 1.00 . A A . 1 TYR HD1 1 1 46 3392 1 1 1 TYR HD2 H -1.161 5.066 -1.642 1.00 . A A . 1 TYR HD2 1 1 46 3393 1 1 1 TYR HE1 H -3.879 1.643 0.614 1.00 . A A . 1 TYR HE1 1 1 46 3394 1 1 1 TYR HE2 H -2.960 3.932 -2.869 1.00 . A A . 1 TYR HE2 1 1 46 3395 1 1 1 TYR HH H -5.390 2.357 -1.533 1.00 . A A . 1 TYR HH 1 1 46 3396 1 1 1 TYR N N 1.663 4.398 2.250 1.00 . A A . 1 TYR N 1 1 46 3397 1 1 1 TYR O O 2.809 4.208 -0.209 1.00 . A A . 1 TYR O 1 1 46 3398 1 1 1 TYR OH O -4.540 2.082 -1.886 1.00 . A A . 1 TYR OH 1 1 46 3399 1 1 2 GLY C C 1.241 1.843 -3.257 1.00 . A A . 2 GLY C 1 1 46 3400 1 1 2 GLY CA C 1.737 3.034 -2.458 1.00 . A A . 2 GLY CA 1 1 46 3401 1 1 2 GLY H H 0.164 2.819 -1.074 1.00 . A A . 2 GLY H 1 1 46 3402 1 1 2 GLY HA2 H 1.560 3.932 -3.029 1.00 . A A . 2 GLY HA2 1 1 46 3403 1 1 2 GLY HA3 H 2.797 2.926 -2.290 1.00 . A A . 2 GLY HA3 1 1 46 3404 1 1 2 GLY N N 1.070 3.162 -1.181 1.00 . A A . 2 GLY N 1 1 46 3405 1 1 2 GLY O O 1.256 1.866 -4.488 1.00 . A A . 2 GLY O 1 1 46 3406 1 1 3 GLY C C 0.999 -1.651 -2.793 1.00 . A A . 3 GLY C 1 1 46 3407 1 1 3 GLY CA C 0.295 -0.380 -3.231 1.00 . A A . 3 GLY CA 1 1 46 3408 1 1 3 GLY H H 0.804 0.845 -1.579 1.00 . A A . 3 GLY H 1 1 46 3409 1 1 3 GLY HA2 H -0.759 -0.479 -3.020 1.00 . A A . 3 GLY HA2 1 1 46 3410 1 1 3 GLY HA3 H 0.427 -0.259 -4.296 1.00 . A A . 3 GLY HA3 1 1 46 3411 1 1 3 GLY N N 0.796 0.804 -2.557 1.00 . A A . 3 GLY N 1 1 46 3412 1 1 3 GLY O O 1.192 -2.566 -3.592 1.00 . A A . 3 GLY O 1 1 46 3413 1 1 4 PHE C C 1.066 -3.994 -0.670 1.00 . A A . 4 PHE C 1 1 46 3414 1 1 4 PHE CA C 2.063 -2.885 -0.985 1.00 . A A . 4 PHE CA 1 1 46 3415 1 1 4 PHE CB C 2.856 -2.530 0.276 1.00 . A A . 4 PHE CB 1 1 46 3416 1 1 4 PHE CD1 C 1.261 -1.859 2.093 1.00 . A A . 4 PHE CD1 1 1 46 3417 1 1 4 PHE CD2 C 2.540 -0.155 1.021 1.00 . A A . 4 PHE CD2 1 1 46 3418 1 1 4 PHE CE1 C 0.663 -0.908 2.898 1.00 . A A . 4 PHE CE1 1 1 46 3419 1 1 4 PHE CE2 C 1.945 0.800 1.823 1.00 . A A . 4 PHE CE2 1 1 46 3420 1 1 4 PHE CG C 2.205 -1.494 1.147 1.00 . A A . 4 PHE CG 1 1 46 3421 1 1 4 PHE CZ C 1.006 0.423 2.762 1.00 . A A . 4 PHE CZ 1 1 46 3422 1 1 4 PHE H H 1.198 -0.953 -0.931 1.00 . A A . 4 PHE H 1 1 46 3423 1 1 4 PHE HA H 2.748 -3.241 -1.740 1.00 . A A . 4 PHE HA 1 1 46 3424 1 1 4 PHE HB2 H 2.980 -3.421 0.869 1.00 . A A . 4 PHE HB2 1 1 46 3425 1 1 4 PHE HB3 H 3.826 -2.158 -0.014 1.00 . A A . 4 PHE HB3 1 1 46 3426 1 1 4 PHE HD1 H 0.995 -2.900 2.200 1.00 . A A . 4 PHE HD1 1 1 46 3427 1 1 4 PHE HD2 H 3.274 0.140 0.287 1.00 . A A . 4 PHE HD2 1 1 46 3428 1 1 4 PHE HE1 H -0.072 -1.206 3.632 1.00 . A A . 4 PHE HE1 1 1 46 3429 1 1 4 PHE HE2 H 2.217 1.839 1.716 1.00 . A A . 4 PHE HE2 1 1 46 3430 1 1 4 PHE HZ H 0.540 1.168 3.391 1.00 . A A . 4 PHE HZ 1 1 46 3431 1 1 4 PHE N N 1.380 -1.711 -1.521 1.00 . A A . 4 PHE N 1 1 46 3432 1 1 4 PHE O O 1.373 -5.179 -0.805 1.00 . A A . 4 PHE O 1 1 46 3433 1 1 5 MET C C -1.662 -5.289 -1.155 1.00 . A A . 5 MET C 1 1 46 3434 1 1 5 MET CA C -1.177 -4.553 0.091 1.00 . A A . 5 MET CA 1 1 46 3435 1 1 5 MET CB C -2.355 -3.840 0.757 1.00 . A A . 5 MET CB 1 1 46 3436 1 1 5 MET CE C -3.570 -0.587 1.926 1.00 . A A . 5 MET CE 1 1 46 3437 1 1 5 MET CG C -1.941 -2.827 1.813 1.00 . A A . 5 MET CG 1 1 46 3438 1 1 5 MET H H -0.304 -2.640 -0.159 1.00 . A A . 5 MET H 1 1 46 3439 1 1 5 MET HA H -0.763 -5.273 0.781 1.00 . A A . 5 MET HA 1 1 46 3440 1 1 5 MET HB2 H -2.924 -3.323 -0.002 1.00 . A A . 5 MET HB2 1 1 46 3441 1 1 5 MET HB3 H -2.989 -4.577 1.227 1.00 . A A . 5 MET HB3 1 1 46 3442 1 1 5 MET HE1 H -4.274 -0.378 1.134 1.00 . A A . 5 MET HE1 1 1 46 3443 1 1 5 MET HE2 H -3.408 0.306 2.510 1.00 . A A . 5 MET HE2 1 1 46 3444 1 1 5 MET HE3 H -3.965 -1.367 2.561 1.00 . A A . 5 MET HE3 1 1 46 3445 1 1 5 MET HG2 H -2.602 -2.922 2.662 1.00 . A A . 5 MET HG2 1 1 46 3446 1 1 5 MET HG3 H -0.930 -3.041 2.121 1.00 . A A . 5 MET HG3 1 1 46 3447 1 1 5 MET N N -0.128 -3.598 -0.248 1.00 . A A . 5 MET N 1 1 46 3448 1 1 5 MET O O -2.518 -6.188 -1.015 1.00 . A A . 5 MET O 1 1 46 3449 1 1 5 MET OXT O -1.183 -4.958 -2.261 1.00 . A A . 5 MET OXT 1 1 46 3450 1 1 5 MET SD S -2.017 -1.127 1.215 1.00 . A A . 5 MET SD 1 1 47 3451 1 1 1 TYR C C 1.511 3.494 0.098 1.00 . A A . 1 TYR C 1 1 47 3452 1 1 1 TYR CA C 0.507 3.501 1.246 1.00 . A A . 1 TYR CA 1 1 47 3453 1 1 1 TYR CB C -0.643 4.460 0.930 1.00 . A A . 1 TYR CB 1 1 47 3454 1 1 1 TYR CD1 C -2.562 2.921 0.360 1.00 . A A . 1 TYR CD1 1 1 47 3455 1 1 1 TYR CD2 C -1.705 4.338 -1.355 1.00 . A A . 1 TYR CD2 1 1 47 3456 1 1 1 TYR CE1 C -3.487 2.402 -0.527 1.00 . A A . 1 TYR CE1 1 1 47 3457 1 1 1 TYR CE2 C -2.625 3.825 -2.246 1.00 . A A . 1 TYR CE2 1 1 47 3458 1 1 1 TYR CG C -1.657 3.896 -0.038 1.00 . A A . 1 TYR CG 1 1 47 3459 1 1 1 TYR CZ C -3.514 2.857 -1.828 1.00 . A A . 1 TYR CZ 1 1 47 3460 1 1 1 TYR H1 H 0.395 4.238 3.166 1.00 . A A . 1 TYR H1 1 1 47 3461 1 1 1 TYR H2 H 1.795 4.716 2.296 1.00 . A A . 1 TYR H2 1 1 47 3462 1 1 1 TYR H3 H 1.665 3.117 2.905 1.00 . A A . 1 TYR H3 1 1 47 3463 1 1 1 TYR HA H 0.114 2.504 1.379 1.00 . A A . 1 TYR HA 1 1 47 3464 1 1 1 TYR HB2 H -1.159 4.707 1.845 1.00 . A A . 1 TYR HB2 1 1 47 3465 1 1 1 TYR HB3 H -0.237 5.361 0.495 1.00 . A A . 1 TYR HB3 1 1 47 3466 1 1 1 TYR HD1 H -2.538 2.567 1.380 1.00 . A A . 1 TYR HD1 1 1 47 3467 1 1 1 TYR HD2 H -1.007 5.096 -1.678 1.00 . A A . 1 TYR HD2 1 1 47 3468 1 1 1 TYR HE1 H -4.183 1.644 -0.199 1.00 . A A . 1 TYR HE1 1 1 47 3469 1 1 1 TYR HE2 H -2.643 4.181 -3.266 1.00 . A A . 1 TYR HE2 1 1 47 3470 1 1 1 TYR HH H -4.124 1.495 -3.040 1.00 . A A . 1 TYR HH 1 1 47 3471 1 1 1 TYR N N 1.148 3.932 2.518 1.00 . A A . 1 TYR N 1 1 47 3472 1 1 1 TYR O O 2.665 3.890 0.265 1.00 . A A . 1 TYR O 1 1 47 3473 1 1 1 TYR OH O -4.433 2.343 -2.714 1.00 . A A . 1 TYR OH 1 1 47 3474 1 1 2 GLY C C 1.570 1.858 -3.171 1.00 . A A . 2 GLY C 1 1 47 3475 1 1 2 GLY CA C 1.921 2.995 -2.231 1.00 . A A . 2 GLY CA 1 1 47 3476 1 1 2 GLY H H 0.135 2.746 -1.139 1.00 . A A . 2 GLY H 1 1 47 3477 1 1 2 GLY HA2 H 1.829 3.928 -2.765 1.00 . A A . 2 GLY HA2 1 1 47 3478 1 1 2 GLY HA3 H 2.943 2.877 -1.904 1.00 . A A . 2 GLY HA3 1 1 47 3479 1 1 2 GLY N N 1.061 3.044 -1.068 1.00 . A A . 2 GLY N 1 1 47 3480 1 1 2 GLY O O 1.924 1.889 -4.350 1.00 . A A . 2 GLY O 1 1 47 3481 1 1 3 GLY C C 1.121 -1.579 -3.018 1.00 . A A . 3 GLY C 1 1 47 3482 1 1 3 GLY CA C 0.482 -0.282 -3.474 1.00 . A A . 3 GLY CA 1 1 47 3483 1 1 3 GLY H H 0.614 0.881 -1.708 1.00 . A A . 3 GLY H 1 1 47 3484 1 1 3 GLY HA2 H -0.591 -0.389 -3.432 1.00 . A A . 3 GLY HA2 1 1 47 3485 1 1 3 GLY HA3 H 0.775 -0.089 -4.495 1.00 . A A . 3 GLY HA3 1 1 47 3486 1 1 3 GLY N N 0.870 0.851 -2.653 1.00 . A A . 3 GLY N 1 1 47 3487 1 1 3 GLY O O 1.323 -2.493 -3.817 1.00 . A A . 3 GLY O 1 1 47 3488 1 1 4 PHE C C 0.995 -3.890 -0.794 1.00 . A A . 4 PHE C 1 1 47 3489 1 1 4 PHE CA C 2.054 -2.861 -1.172 1.00 . A A . 4 PHE CA 1 1 47 3490 1 1 4 PHE CB C 2.902 -2.514 0.055 1.00 . A A . 4 PHE CB 1 1 47 3491 1 1 4 PHE CD1 C 1.288 -1.804 1.841 1.00 . A A . 4 PHE CD1 1 1 47 3492 1 1 4 PHE CD2 C 2.724 -0.155 0.890 1.00 . A A . 4 PHE CD2 1 1 47 3493 1 1 4 PHE CE1 C 0.727 -0.845 2.664 1.00 . A A . 4 PHE CE1 1 1 47 3494 1 1 4 PHE CE2 C 2.167 0.807 1.710 1.00 . A A . 4 PHE CE2 1 1 47 3495 1 1 4 PHE CG C 2.292 -1.471 0.947 1.00 . A A . 4 PHE CG 1 1 47 3496 1 1 4 PHE CZ C 1.167 0.463 2.598 1.00 . A A . 4 PHE CZ 1 1 47 3497 1 1 4 PHE H H 1.250 -0.902 -1.142 1.00 . A A . 4 PHE H 1 1 47 3498 1 1 4 PHE HA H 2.693 -3.286 -1.931 1.00 . A A . 4 PHE HA 1 1 47 3499 1 1 4 PHE HB2 H 3.045 -3.405 0.644 1.00 . A A . 4 PHE HB2 1 1 47 3500 1 1 4 PHE HB3 H 3.862 -2.148 -0.276 1.00 . A A . 4 PHE HB3 1 1 47 3501 1 1 4 PHE HD1 H 0.944 -2.827 1.894 1.00 . A A . 4 PHE HD1 1 1 47 3502 1 1 4 PHE HD2 H 3.506 0.116 0.196 1.00 . A A . 4 PHE HD2 1 1 47 3503 1 1 4 PHE HE1 H -0.055 -1.118 3.357 1.00 . A A . 4 PHE HE1 1 1 47 3504 1 1 4 PHE HE2 H 2.514 1.829 1.655 1.00 . A A . 4 PHE HE2 1 1 47 3505 1 1 4 PHE HZ H 0.731 1.213 3.240 1.00 . A A . 4 PHE HZ 1 1 47 3506 1 1 4 PHE N N 1.437 -1.662 -1.730 1.00 . A A . 4 PHE N 1 1 47 3507 1 1 4 PHE O O 1.194 -5.094 -0.962 1.00 . A A . 4 PHE O 1 1 47 3508 1 1 5 MET C C -1.861 -4.954 -1.096 1.00 . A A . 5 MET C 1 1 47 3509 1 1 5 MET CA C -1.226 -4.284 0.120 1.00 . A A . 5 MET CA 1 1 47 3510 1 1 5 MET CB C -2.286 -3.493 0.888 1.00 . A A . 5 MET CB 1 1 47 3511 1 1 5 MET CE C -2.652 -0.677 3.709 1.00 . A A . 5 MET CE 1 1 47 3512 1 1 5 MET CG C -1.726 -2.702 2.059 1.00 . A A . 5 MET CG 1 1 47 3513 1 1 5 MET H H -0.228 -2.439 -0.174 1.00 . A A . 5 MET H 1 1 47 3514 1 1 5 MET HA H -0.819 -5.047 0.765 1.00 . A A . 5 MET HA 1 1 47 3515 1 1 5 MET HB2 H -2.764 -2.801 0.210 1.00 . A A . 5 MET HB2 1 1 47 3516 1 1 5 MET HB3 H -3.026 -4.181 1.268 1.00 . A A . 5 MET HB3 1 1 47 3517 1 1 5 MET HE1 H -1.957 -0.597 4.531 1.00 . A A . 5 MET HE1 1 1 47 3518 1 1 5 MET HE2 H -3.583 -0.199 3.976 1.00 . A A . 5 MET HE2 1 1 47 3519 1 1 5 MET HE3 H -2.236 -0.194 2.837 1.00 . A A . 5 MET HE3 1 1 47 3520 1 1 5 MET HG2 H -0.902 -3.252 2.487 1.00 . A A . 5 MET HG2 1 1 47 3521 1 1 5 MET HG3 H -1.371 -1.749 1.694 1.00 . A A . 5 MET HG3 1 1 47 3522 1 1 5 MET N N -0.131 -3.408 -0.283 1.00 . A A . 5 MET N 1 1 47 3523 1 1 5 MET O O -2.356 -6.091 -0.952 1.00 . A A . 5 MET O 1 1 47 3524 1 1 5 MET OXT O -1.858 -4.335 -2.180 1.00 . A A . 5 MET OXT 1 1 47 3525 1 1 5 MET SD S -2.952 -2.406 3.346 1.00 . A A . 5 MET SD 1 1 48 3526 1 1 1 TYR C C 1.434 3.386 0.176 1.00 . A A . 1 TYR C 1 1 48 3527 1 1 1 TYR CA C 0.401 3.353 1.298 1.00 . A A . 1 TYR CA 1 1 48 3528 1 1 1 TYR CB C -0.738 4.325 0.989 1.00 . A A . 1 TYR CB 1 1 48 3529 1 1 1 TYR CD1 C -2.644 2.808 0.323 1.00 . A A . 1 TYR CD1 1 1 48 3530 1 1 1 TYR CD2 C -1.754 4.287 -1.320 1.00 . A A . 1 TYR CD2 1 1 48 3531 1 1 1 TYR CE1 C -3.550 2.321 -0.601 1.00 . A A . 1 TYR CE1 1 1 48 3532 1 1 1 TYR CE2 C -2.655 3.807 -2.249 1.00 . A A . 1 TYR CE2 1 1 48 3533 1 1 1 TYR CG C -1.732 3.797 -0.021 1.00 . A A . 1 TYR CG 1 1 48 3534 1 1 1 TYR CZ C -3.552 2.825 -1.885 1.00 . A A . 1 TYR CZ 1 1 48 3535 1 1 1 TYR H1 H 1.943 3.284 2.660 1.00 . A A . 1 TYR H1 1 1 48 3536 1 1 1 TYR H2 H 0.378 3.392 3.355 1.00 . A A . 1 TYR H2 1 1 48 3537 1 1 1 TYR H3 H 1.092 4.770 2.621 1.00 . A A . 1 TYR H3 1 1 48 3538 1 1 1 TYR HA H 0.003 2.353 1.382 1.00 . A A . 1 TYR HA 1 1 48 3539 1 1 1 TYR HB2 H -1.275 4.544 1.899 1.00 . A A . 1 TYR HB2 1 1 48 3540 1 1 1 TYR HB3 H -0.322 5.240 0.594 1.00 . A A . 1 TYR HB3 1 1 48 3541 1 1 1 TYR HD1 H -2.640 2.415 1.329 1.00 . A A . 1 TYR HD1 1 1 48 3542 1 1 1 TYR HD2 H -1.051 5.057 -1.602 1.00 . A A . 1 TYR HD2 1 1 48 3543 1 1 1 TYR HE1 H -4.251 1.551 -0.316 1.00 . A A . 1 TYR HE1 1 1 48 3544 1 1 1 TYR HE2 H -2.654 4.202 -3.254 1.00 . A A . 1 TYR HE2 1 1 48 3545 1 1 1 TYR HH H -4.405 1.385 -2.832 1.00 . A A . 1 TYR HH 1 1 48 3546 1 1 1 TYR N N 1.008 3.734 2.601 1.00 . A A . 1 TYR N 1 1 48 3547 1 1 1 TYR O O 2.584 3.773 0.386 1.00 . A A . 1 TYR O 1 1 48 3548 1 1 1 TYR OH O -4.452 2.343 -2.808 1.00 . A A . 1 TYR OH 1 1 48 3549 1 1 2 GLY C C 1.591 1.847 -3.130 1.00 . A A . 2 GLY C 1 1 48 3550 1 1 2 GLY CA C 1.901 2.971 -2.159 1.00 . A A . 2 GLY CA 1 1 48 3551 1 1 2 GLY H H 0.088 2.687 -1.121 1.00 . A A . 2 GLY H 1 1 48 3552 1 1 2 GLY HA2 H 1.805 3.912 -2.677 1.00 . A A . 2 GLY HA2 1 1 48 3553 1 1 2 GLY HA3 H 2.917 2.863 -1.812 1.00 . A A . 2 GLY HA3 1 1 48 3554 1 1 2 GLY N N 1.012 2.980 -1.017 1.00 . A A . 2 GLY N 1 1 48 3555 1 1 2 GLY O O 1.992 1.896 -4.293 1.00 . A A . 2 GLY O 1 1 48 3556 1 1 3 GLY C C 1.137 -1.595 -3.041 1.00 . A A . 3 GLY C 1 1 48 3557 1 1 3 GLY CA C 0.521 -0.290 -3.506 1.00 . A A . 3 GLY CA 1 1 48 3558 1 1 3 GLY H H 0.578 0.847 -1.721 1.00 . A A . 3 GLY H 1 1 48 3559 1 1 3 GLY HA2 H -0.553 -0.396 -3.511 1.00 . A A . 3 GLY HA2 1 1 48 3560 1 1 3 GLY HA3 H 0.856 -0.084 -4.511 1.00 . A A . 3 GLY HA3 1 1 48 3561 1 1 3 GLY N N 0.874 0.833 -2.654 1.00 . A A . 3 GLY N 1 1 48 3562 1 1 3 GLY O O 1.310 -2.521 -3.832 1.00 . A A . 3 GLY O 1 1 48 3563 1 1 4 PHE C C 0.983 -3.875 -0.790 1.00 . A A . 4 PHE C 1 1 48 3564 1 1 4 PHE CA C 2.062 -2.876 -1.191 1.00 . A A . 4 PHE CA 1 1 48 3565 1 1 4 PHE CB C 2.930 -2.535 0.022 1.00 . A A . 4 PHE CB 1 1 48 3566 1 1 4 PHE CD1 C 1.326 -1.723 1.775 1.00 . A A . 4 PHE CD1 1 1 48 3567 1 1 4 PHE CD2 C 2.875 -0.166 0.845 1.00 . A A . 4 PHE CD2 1 1 48 3568 1 1 4 PHE CE1 C 0.807 -0.728 2.582 1.00 . A A . 4 PHE CE1 1 1 48 3569 1 1 4 PHE CE2 C 2.360 0.833 1.649 1.00 . A A . 4 PHE CE2 1 1 48 3570 1 1 4 PHE CG C 2.364 -1.452 0.898 1.00 . A A . 4 PHE CG 1 1 48 3571 1 1 4 PHE CZ C 1.325 0.551 2.520 1.00 . A A . 4 PHE CZ 1 1 48 3572 1 1 4 PHE H H 1.301 -0.901 -1.174 1.00 . A A . 4 PHE H 1 1 48 3573 1 1 4 PHE HA H 2.683 -3.324 -1.952 1.00 . A A . 4 PHE HA 1 1 48 3574 1 1 4 PHE HB2 H 3.047 -3.419 0.627 1.00 . A A . 4 PHE HB2 1 1 48 3575 1 1 4 PHE HB3 H 3.900 -2.211 -0.322 1.00 . A A . 4 PHE HB3 1 1 48 3576 1 1 4 PHE HD1 H 0.921 -2.722 1.825 1.00 . A A . 4 PHE HD1 1 1 48 3577 1 1 4 PHE HD2 H 3.684 0.056 0.165 1.00 . A A . 4 PHE HD2 1 1 48 3578 1 1 4 PHE HE1 H -0.003 -0.951 3.262 1.00 . A A . 4 PHE HE1 1 1 48 3579 1 1 4 PHE HE2 H 2.767 1.831 1.598 1.00 . A A . 4 PHE HE2 1 1 48 3580 1 1 4 PHE HZ H 0.921 1.330 3.149 1.00 . A A . 4 PHE HZ 1 1 48 3581 1 1 4 PHE N N 1.466 -1.671 -1.755 1.00 . A A . 4 PHE N 1 1 48 3582 1 1 4 PHE O O 1.157 -5.085 -0.933 1.00 . A A . 4 PHE O 1 1 48 3583 1 1 5 MET C C -1.895 -4.884 -1.063 1.00 . A A . 5 MET C 1 1 48 3584 1 1 5 MET CA C -1.243 -4.201 0.136 1.00 . A A . 5 MET CA 1 1 48 3585 1 1 5 MET CB C -2.284 -3.370 0.889 1.00 . A A . 5 MET CB 1 1 48 3586 1 1 5 MET CE C -2.483 -0.513 3.731 1.00 . A A . 5 MET CE 1 1 48 3587 1 1 5 MET CG C -1.705 -2.569 2.043 1.00 . A A . 5 MET CG 1 1 48 3588 1 1 5 MET H H -0.207 -2.385 -0.201 1.00 . A A . 5 MET H 1 1 48 3589 1 1 5 MET HA H -0.852 -4.958 0.797 1.00 . A A . 5 MET HA 1 1 48 3590 1 1 5 MET HB2 H -2.747 -2.682 0.198 1.00 . A A . 5 MET HB2 1 1 48 3591 1 1 5 MET HB3 H -3.040 -4.033 1.283 1.00 . A A . 5 MET HB3 1 1 48 3592 1 1 5 MET HE1 H -3.369 0.033 4.022 1.00 . A A . 5 MET HE1 1 1 48 3593 1 1 5 MET HE2 H -2.033 -0.036 2.873 1.00 . A A . 5 MET HE2 1 1 48 3594 1 1 5 MET HE3 H -1.779 -0.521 4.550 1.00 . A A . 5 MET HE3 1 1 48 3595 1 1 5 MET HG2 H -0.904 -3.137 2.492 1.00 . A A . 5 MET HG2 1 1 48 3596 1 1 5 MET HG3 H -1.313 -1.640 1.657 1.00 . A A . 5 MET HG3 1 1 48 3597 1 1 5 MET N N -0.131 -3.358 -0.288 1.00 . A A . 5 MET N 1 1 48 3598 1 1 5 MET O O -2.453 -5.986 -0.884 1.00 . A A . 5 MET O 1 1 48 3599 1 1 5 MET OXT O -1.843 -4.309 -2.171 1.00 . A A . 5 MET OXT 1 1 48 3600 1 1 5 MET SD S -2.930 -2.196 3.312 1.00 . A A . 5 MET SD 1 1 49 3601 1 1 1 TYR C C 1.630 3.708 -0.082 1.00 . A A . 1 TYR C 1 1 49 3602 1 1 1 TYR CA C 0.800 3.763 1.196 1.00 . A A . 1 TYR CA 1 1 49 3603 1 1 1 TYR CB C -0.438 4.633 0.979 1.00 . A A . 1 TYR CB 1 1 49 3604 1 1 1 TYR CD1 C -2.332 2.971 0.810 1.00 . A A . 1 TYR CD1 1 1 49 3605 1 1 1 TYR CD2 C -1.782 4.258 -1.119 1.00 . A A . 1 TYR CD2 1 1 49 3606 1 1 1 TYR CE1 C -3.336 2.336 0.106 1.00 . A A . 1 TYR CE1 1 1 49 3607 1 1 1 TYR CE2 C -2.784 3.628 -1.831 1.00 . A A . 1 TYR CE2 1 1 49 3608 1 1 1 TYR CG C -1.540 3.942 0.211 1.00 . A A . 1 TYR CG 1 1 49 3609 1 1 1 TYR CZ C -3.558 2.667 -1.215 1.00 . A A . 1 TYR CZ 1 1 49 3610 1 1 1 TYR H1 H 0.937 4.460 3.127 1.00 . A A . 1 TYR H1 1 1 49 3611 1 1 1 TYR H2 H 1.983 5.236 2.010 1.00 . A A . 1 TYR H2 1 1 49 3612 1 1 1 TYR H3 H 2.338 3.650 2.560 1.00 . A A . 1 TYR H3 1 1 49 3613 1 1 1 TYR HA H 0.490 2.763 1.459 1.00 . A A . 1 TYR HA 1 1 49 3614 1 1 1 TYR HB2 H -0.835 4.929 1.937 1.00 . A A . 1 TYR HB2 1 1 49 3615 1 1 1 TYR HB3 H -0.152 5.514 0.424 1.00 . A A . 1 TYR HB3 1 1 49 3616 1 1 1 TYR HD1 H -2.155 2.714 1.845 1.00 . A A . 1 TYR HD1 1 1 49 3617 1 1 1 TYR HD2 H -1.175 5.010 -1.599 1.00 . A A . 1 TYR HD2 1 1 49 3618 1 1 1 TYR HE1 H -3.943 1.584 0.589 1.00 . A A . 1 TYR HE1 1 1 49 3619 1 1 1 TYR HE2 H -2.955 3.888 -2.865 1.00 . A A . 1 TYR HE2 1 1 49 3620 1 1 1 TYR HH H -5.322 1.915 -1.354 1.00 . A A . 1 TYR HH 1 1 49 3621 1 1 1 TYR N N 1.586 4.328 2.325 1.00 . A A . 1 TYR N 1 1 49 3622 1 1 1 TYR O O 2.765 4.182 -0.119 1.00 . A A . 1 TYR O 1 1 49 3623 1 1 1 TYR OH O -4.557 2.038 -1.921 1.00 . A A . 1 TYR OH 1 1 49 3624 1 1 2 GLY C C 1.277 1.839 -3.220 1.00 . A A . 2 GLY C 1 1 49 3625 1 1 2 GLY CA C 1.741 3.026 -2.397 1.00 . A A . 2 GLY CA 1 1 49 3626 1 1 2 GLY H H 0.148 2.778 -1.040 1.00 . A A . 2 GLY H 1 1 49 3627 1 1 2 GLY HA2 H 1.559 3.928 -2.960 1.00 . A A . 2 GLY HA2 1 1 49 3628 1 1 2 GLY HA3 H 2.799 2.933 -2.214 1.00 . A A . 2 GLY HA3 1 1 49 3629 1 1 2 GLY N N 1.052 3.131 -1.128 1.00 . A A . 2 GLY N 1 1 49 3630 1 1 2 GLY O O 1.391 1.843 -4.445 1.00 . A A . 2 GLY O 1 1 49 3631 1 1 3 GLY C C 0.968 -1.630 -2.812 1.00 . A A . 3 GLY C 1 1 49 3632 1 1 3 GLY CA C 0.267 -0.357 -3.247 1.00 . A A . 3 GLY CA 1 1 49 3633 1 1 3 GLY H H 0.674 0.873 -1.572 1.00 . A A . 3 GLY H 1 1 49 3634 1 1 3 GLY HA2 H -0.792 -0.464 -3.062 1.00 . A A . 3 GLY HA2 1 1 49 3635 1 1 3 GLY HA3 H 0.421 -0.220 -4.307 1.00 . A A . 3 GLY HA3 1 1 49 3636 1 1 3 GLY N N 0.746 0.821 -2.547 1.00 . A A . 3 GLY N 1 1 49 3637 1 1 3 GLY O O 1.124 -2.558 -3.604 1.00 . A A . 3 GLY O 1 1 49 3638 1 1 4 PHE C C 1.071 -3.963 -0.711 1.00 . A A . 4 PHE C 1 1 49 3639 1 1 4 PHE CA C 2.070 -2.856 -1.024 1.00 . A A . 4 PHE CA 1 1 49 3640 1 1 4 PHE CB C 2.873 -2.514 0.233 1.00 . A A . 4 PHE CB 1 1 49 3641 1 1 4 PHE CD1 C 1.317 -1.821 2.077 1.00 . A A . 4 PHE CD1 1 1 49 3642 1 1 4 PHE CD2 C 2.591 -0.133 0.975 1.00 . A A . 4 PHE CD2 1 1 49 3643 1 1 4 PHE CE1 C 0.743 -0.861 2.890 1.00 . A A . 4 PHE CE1 1 1 49 3644 1 1 4 PHE CE2 C 2.021 0.830 1.785 1.00 . A A . 4 PHE CE2 1 1 49 3645 1 1 4 PHE CG C 2.245 -1.468 1.111 1.00 . A A . 4 PHE CG 1 1 49 3646 1 1 4 PHE CZ C 1.096 0.467 2.743 1.00 . A A . 4 PHE CZ 1 1 49 3647 1 1 4 PHE H H 1.233 -0.911 -0.966 1.00 . A A . 4 PHE H 1 1 49 3648 1 1 4 PHE HA H 2.748 -3.210 -1.786 1.00 . A A . 4 PHE HA 1 1 49 3649 1 1 4 PHE HB2 H 2.987 -3.407 0.824 1.00 . A A . 4 PHE HB2 1 1 49 3650 1 1 4 PHE HB3 H 3.849 -2.157 -0.061 1.00 . A A . 4 PHE HB3 1 1 49 3651 1 1 4 PHE HD1 H 1.041 -2.857 2.193 1.00 . A A . 4 PHE HD1 1 1 49 3652 1 1 4 PHE HD2 H 3.312 0.154 0.224 1.00 . A A . 4 PHE HD2 1 1 49 3653 1 1 4 PHE HE1 H 0.021 -1.148 3.639 1.00 . A A . 4 PHE HE1 1 1 49 3654 1 1 4 PHE HE2 H 2.300 1.867 1.668 1.00 . A A . 4 PHE HE2 1 1 49 3655 1 1 4 PHE HZ H 0.650 1.219 3.378 1.00 . A A . 4 PHE HZ 1 1 49 3656 1 1 4 PHE N N 1.388 -1.678 -1.551 1.00 . A A . 4 PHE N 1 1 49 3657 1 1 4 PHE O O 1.370 -5.147 -0.863 1.00 . A A . 4 PHE O 1 1 49 3658 1 1 5 MET C C -1.669 -5.236 -1.190 1.00 . A A . 5 MET C 1 1 49 3659 1 1 5 MET CA C -1.169 -4.519 0.059 1.00 . A A . 5 MET CA 1 1 49 3660 1 1 5 MET CB C -2.337 -3.806 0.747 1.00 . A A . 5 MET CB 1 1 49 3661 1 1 5 MET CE C -3.542 -0.584 1.922 1.00 . A A . 5 MET CE 1 1 49 3662 1 1 5 MET CG C -1.907 -2.819 1.819 1.00 . A A . 5 MET CG 1 1 49 3663 1 1 5 MET H H -0.289 -2.607 -0.177 1.00 . A A . 5 MET H 1 1 49 3664 1 1 5 MET HA H -0.753 -5.249 0.738 1.00 . A A . 5 MET HA 1 1 49 3665 1 1 5 MET HB2 H -2.904 -3.271 0.001 1.00 . A A . 5 MET HB2 1 1 49 3666 1 1 5 MET HB3 H -2.974 -4.548 1.206 1.00 . A A . 5 MET HB3 1 1 49 3667 1 1 5 MET HE1 H -4.218 -0.353 1.113 1.00 . A A . 5 MET HE1 1 1 49 3668 1 1 5 MET HE2 H -3.400 0.294 2.535 1.00 . A A . 5 MET HE2 1 1 49 3669 1 1 5 MET HE3 H -3.959 -1.379 2.523 1.00 . A A . 5 MET HE3 1 1 49 3670 1 1 5 MET HG2 H -2.565 -2.922 2.669 1.00 . A A . 5 MET HG2 1 1 49 3671 1 1 5 MET HG3 H -0.896 -3.050 2.119 1.00 . A A . 5 MET HG3 1 1 49 3672 1 1 5 MET N N -0.118 -3.565 -0.276 1.00 . A A . 5 MET N 1 1 49 3673 1 1 5 MET O O -2.514 -4.656 -1.905 1.00 . A A . 5 MET O 1 1 49 3674 1 1 5 MET OXT O -1.210 -6.369 -1.445 1.00 . A A . 5 MET OXT 1 1 49 3675 1 1 5 MET SD S -1.966 -1.108 1.252 1.00 . A A . 5 MET SD 1 1 50 3676 1 1 1 TYR C C 1.491 3.596 -0.010 1.00 . A A . 1 TYR C 1 1 50 3677 1 1 1 TYR CA C 0.590 3.691 1.217 1.00 . A A . 1 TYR CA 1 1 50 3678 1 1 1 TYR CB C -0.542 4.687 0.962 1.00 . A A . 1 TYR CB 1 1 50 3679 1 1 1 TYR CD1 C -2.474 3.130 0.490 1.00 . A A . 1 TYR CD1 1 1 50 3680 1 1 1 TYR CD2 C -1.816 4.661 -1.214 1.00 . A A . 1 TYR CD2 1 1 50 3681 1 1 1 TYR CE1 C -3.468 2.635 -0.334 1.00 . A A . 1 TYR CE1 1 1 50 3682 1 1 1 TYR CE2 C -2.807 4.173 -2.042 1.00 . A A . 1 TYR CE2 1 1 50 3683 1 1 1 TYR CG C -1.633 4.150 0.064 1.00 . A A . 1 TYR CG 1 1 50 3684 1 1 1 TYR CZ C -3.630 3.160 -1.598 1.00 . A A . 1 TYR CZ 1 1 50 3685 1 1 1 TYR H1 H 1.873 5.001 2.150 1.00 . A A . 1 TYR H1 1 1 50 3686 1 1 1 TYR H2 H 2.007 3.373 2.674 1.00 . A A . 1 TYR H2 1 1 50 3687 1 1 1 TYR H3 H 0.672 4.328 3.172 1.00 . A A . 1 TYR H3 1 1 50 3688 1 1 1 TYR HA H 0.168 2.718 1.422 1.00 . A A . 1 TYR HA 1 1 50 3689 1 1 1 TYR HB2 H -0.993 4.960 1.904 1.00 . A A . 1 TYR HB2 1 1 50 3690 1 1 1 TYR HB3 H -0.133 5.570 0.495 1.00 . A A . 1 TYR HB3 1 1 50 3691 1 1 1 TYR HD1 H -2.343 2.720 1.480 1.00 . A A . 1 TYR HD1 1 1 50 3692 1 1 1 TYR HD2 H -1.170 5.454 -1.560 1.00 . A A . 1 TYR HD2 1 1 50 3693 1 1 1 TYR HE1 H -4.111 1.842 0.015 1.00 . A A . 1 TYR HE1 1 1 50 3694 1 1 1 TYR HE2 H -2.933 4.585 -3.033 1.00 . A A . 1 TYR HE2 1 1 50 3695 1 1 1 TYR HH H -4.267 1.954 -2.954 1.00 . A A . 1 TYR HH 1 1 50 3696 1 1 1 TYR N N 1.354 4.139 2.411 1.00 . A A . 1 TYR N 1 1 50 3697 1 1 1 TYR O O 2.679 3.913 0.051 1.00 . A A . 1 TYR O 1 1 50 3698 1 1 1 TYR OH O -4.619 2.671 -2.421 1.00 . A A . 1 TYR OH 1 1 50 3699 1 1 2 GLY C C 1.242 1.822 -3.171 1.00 . A A . 2 GLY C 1 1 50 3700 1 1 2 GLY CA C 1.672 3.023 -2.351 1.00 . A A . 2 GLY CA 1 1 50 3701 1 1 2 GLY H H -0.031 2.919 -1.112 1.00 . A A . 2 GLY H 1 1 50 3702 1 1 2 GLY HA2 H 1.529 3.916 -2.941 1.00 . A A . 2 GLY HA2 1 1 50 3703 1 1 2 GLY HA3 H 2.718 2.925 -2.108 1.00 . A A . 2 GLY HA3 1 1 50 3704 1 1 2 GLY N N 0.915 3.155 -1.125 1.00 . A A . 2 GLY N 1 1 50 3705 1 1 2 GLY O O 1.504 1.755 -4.371 1.00 . A A . 2 GLY O 1 1 50 3706 1 1 3 GLY C C 0.962 -1.537 -2.894 1.00 . A A . 3 GLY C 1 1 50 3707 1 1 3 GLY CA C 0.120 -0.320 -3.214 1.00 . A A . 3 GLY CA 1 1 50 3708 1 1 3 GLY H H 0.396 0.976 -1.565 1.00 . A A . 3 GLY H 1 1 50 3709 1 1 3 GLY HA2 H -0.902 -0.519 -2.926 1.00 . A A . 3 GLY HA2 1 1 50 3710 1 1 3 GLY HA3 H 0.155 -0.140 -4.279 1.00 . A A . 3 GLY HA3 1 1 50 3711 1 1 3 GLY N N 0.578 0.870 -2.522 1.00 . A A . 3 GLY N 1 1 50 3712 1 1 3 GLY O O 1.303 -2.317 -3.784 1.00 . A A . 3 GLY O 1 1 50 3713 1 1 4 PHE C C 1.206 -3.993 -0.746 1.00 . A A . 4 PHE C 1 1 50 3714 1 1 4 PHE CA C 2.099 -2.838 -1.182 1.00 . A A . 4 PHE CA 1 1 50 3715 1 1 4 PHE CB C 3.019 -2.431 -0.031 1.00 . A A . 4 PHE CB 1 1 50 3716 1 1 4 PHE CD1 C 1.694 -2.289 2.095 1.00 . A A . 4 PHE CD1 1 1 50 3717 1 1 4 PHE CD2 C 2.311 -0.258 1.005 1.00 . A A . 4 PHE CD2 1 1 50 3718 1 1 4 PHE CE1 C 1.058 -1.566 3.087 1.00 . A A . 4 PHE CE1 1 1 50 3719 1 1 4 PHE CE2 C 1.677 0.469 1.994 1.00 . A A . 4 PHE CE2 1 1 50 3720 1 1 4 PHE CG C 2.327 -1.644 1.044 1.00 . A A . 4 PHE CG 1 1 50 3721 1 1 4 PHE CZ C 1.049 -0.186 3.036 1.00 . A A . 4 PHE CZ 1 1 50 3722 1 1 4 PHE H H 0.989 -1.048 -0.955 1.00 . A A . 4 PHE H 1 1 50 3723 1 1 4 PHE HA H 2.702 -3.159 -2.018 1.00 . A A . 4 PHE HA 1 1 50 3724 1 1 4 PHE HB2 H 3.429 -3.320 0.422 1.00 . A A . 4 PHE HB2 1 1 50 3725 1 1 4 PHE HB3 H 3.825 -1.827 -0.421 1.00 . A A . 4 PHE HB3 1 1 50 3726 1 1 4 PHE HD1 H 1.701 -3.368 2.135 1.00 . A A . 4 PHE HD1 1 1 50 3727 1 1 4 PHE HD2 H 2.801 0.254 0.191 1.00 . A A . 4 PHE HD2 1 1 50 3728 1 1 4 PHE HE1 H 0.568 -2.080 3.900 1.00 . A A . 4 PHE HE1 1 1 50 3729 1 1 4 PHE HE2 H 1.673 1.547 1.952 1.00 . A A . 4 PHE HE2 1 1 50 3730 1 1 4 PHE HZ H 0.553 0.381 3.809 1.00 . A A . 4 PHE HZ 1 1 50 3731 1 1 4 PHE N N 1.295 -1.703 -1.619 1.00 . A A . 4 PHE N 1 1 50 3732 1 1 4 PHE O O 1.491 -5.156 -1.030 1.00 . A A . 4 PHE O 1 1 50 3733 1 1 5 MET C C -1.647 -5.226 -0.727 1.00 . A A . 5 MET C 1 1 50 3734 1 1 5 MET CA C -0.819 -4.665 0.425 1.00 . A A . 5 MET CA 1 1 50 3735 1 1 5 MET CB C -1.742 -4.063 1.485 1.00 . A A . 5 MET CB 1 1 50 3736 1 1 5 MET CE C -2.931 -0.076 1.132 1.00 . A A . 5 MET CE 1 1 50 3737 1 1 5 MET CG C -2.459 -2.804 1.025 1.00 . A A . 5 MET CG 1 1 50 3738 1 1 5 MET H H -0.047 -2.714 0.138 1.00 . A A . 5 MET H 1 1 50 3739 1 1 5 MET HA H -0.250 -5.468 0.868 1.00 . A A . 5 MET HA 1 1 50 3740 1 1 5 MET HB2 H -2.487 -4.798 1.755 1.00 . A A . 5 MET HB2 1 1 50 3741 1 1 5 MET HB3 H -1.156 -3.822 2.360 1.00 . A A . 5 MET HB3 1 1 50 3742 1 1 5 MET HE1 H -3.937 -0.464 1.066 1.00 . A A . 5 MET HE1 1 1 50 3743 1 1 5 MET HE2 H -2.576 0.177 0.144 1.00 . A A . 5 MET HE2 1 1 50 3744 1 1 5 MET HE3 H -2.926 0.807 1.755 1.00 . A A . 5 MET HE3 1 1 50 3745 1 1 5 MET HG2 H -2.312 -2.692 -0.039 1.00 . A A . 5 MET HG2 1 1 50 3746 1 1 5 MET HG3 H -3.514 -2.912 1.231 1.00 . A A . 5 MET HG3 1 1 50 3747 1 1 5 MET N N 0.123 -3.660 -0.055 1.00 . A A . 5 MET N 1 1 50 3748 1 1 5 MET O O -2.431 -6.169 -0.487 1.00 . A A . 5 MET O 1 1 50 3749 1 1 5 MET OXT O -1.506 -4.719 -1.859 1.00 . A A . 5 MET OXT 1 1 50 3750 1 1 5 MET SD S -1.859 -1.318 1.850 1.00 . A A . 5 MET SD 1 1 51 3751 1 1 1 TYR C C 1.607 3.668 -0.129 1.00 . A A . 1 TYR C 1 1 51 3752 1 1 1 TYR CA C 0.730 3.703 1.117 1.00 . A A . 1 TYR CA 1 1 51 3753 1 1 1 TYR CB C -0.461 4.637 0.895 1.00 . A A . 1 TYR CB 1 1 51 3754 1 1 1 TYR CD1 C -2.397 3.046 0.580 1.00 . A A . 1 TYR CD1 1 1 51 3755 1 1 1 TYR CD2 C -1.769 4.436 -1.253 1.00 . A A . 1 TYR CD2 1 1 51 3756 1 1 1 TYR CE1 C -3.404 2.488 -0.185 1.00 . A A . 1 TYR CE1 1 1 51 3757 1 1 1 TYR CE2 C -2.772 3.883 -2.023 1.00 . A A . 1 TYR CE2 1 1 51 3758 1 1 1 TYR CG C -1.565 4.028 0.060 1.00 . A A . 1 TYR CG 1 1 51 3759 1 1 1 TYR CZ C -3.588 2.909 -1.485 1.00 . A A . 1 TYR CZ 1 1 51 3760 1 1 1 TYR H1 H 1.658 5.203 2.176 1.00 . A A . 1 TYR H1 1 1 51 3761 1 1 1 TYR H2 H 2.394 3.660 2.326 1.00 . A A . 1 TYR H2 1 1 51 3762 1 1 1 TYR H3 H 0.923 3.995 3.145 1.00 . A A . 1 TYR H3 1 1 51 3763 1 1 1 TYR HA H 0.368 2.707 1.323 1.00 . A A . 1 TYR HA 1 1 51 3764 1 1 1 TYR HB2 H -0.880 4.910 1.851 1.00 . A A . 1 TYR HB2 1 1 51 3765 1 1 1 TYR HB3 H -0.117 5.527 0.391 1.00 . A A . 1 TYR HB3 1 1 51 3766 1 1 1 TYR HD1 H -2.252 2.719 1.598 1.00 . A A . 1 TYR HD1 1 1 51 3767 1 1 1 TYR HD2 H -1.129 5.198 -1.671 1.00 . A A . 1 TYR HD2 1 1 51 3768 1 1 1 TYR HE1 H -4.043 1.726 0.237 1.00 . A A . 1 TYR HE1 1 1 51 3769 1 1 1 TYR HE2 H -2.912 4.213 -3.041 1.00 . A A . 1 TYR HE2 1 1 51 3770 1 1 1 TYR HH H -4.203 1.759 -2.897 1.00 . A A . 1 TYR HH 1 1 51 3771 1 1 1 TYR N N 1.495 4.184 2.298 1.00 . A A . 1 TYR N 1 1 51 3772 1 1 1 TYR O O 2.767 4.079 -0.099 1.00 . A A . 1 TYR O 1 1 51 3773 1 1 1 TYR OH O -4.587 2.355 -2.250 1.00 . A A . 1 TYR OH 1 1 51 3774 1 1 2 GLY C C 1.374 1.902 -3.312 1.00 . A A . 2 GLY C 1 1 51 3775 1 1 2 GLY CA C 1.776 3.099 -2.471 1.00 . A A . 2 GLY CA 1 1 51 3776 1 1 2 GLY H H 0.117 2.869 -1.191 1.00 . A A . 2 GLY H 1 1 51 3777 1 1 2 GLY HA2 H 1.592 3.999 -3.035 1.00 . A A . 2 GLY HA2 1 1 51 3778 1 1 2 GLY HA3 H 2.830 3.032 -2.249 1.00 . A A . 2 GLY HA3 1 1 51 3779 1 1 2 GLY N N 1.042 3.177 -1.227 1.00 . A A . 2 GLY N 1 1 51 3780 1 1 2 GLY O O 1.559 1.902 -4.529 1.00 . A A . 2 GLY O 1 1 51 3781 1 1 3 GLY C C 1.170 -1.542 -2.967 1.00 . A A . 3 GLY C 1 1 51 3782 1 1 3 GLY CA C 0.395 -0.308 -3.380 1.00 . A A . 3 GLY CA 1 1 51 3783 1 1 3 GLY H H 0.693 0.939 -1.695 1.00 . A A . 3 GLY H 1 1 51 3784 1 1 3 GLY HA2 H -0.655 -0.475 -3.187 1.00 . A A . 3 GLY HA2 1 1 51 3785 1 1 3 GLY HA3 H 0.534 -0.147 -4.440 1.00 . A A . 3 GLY HA3 1 1 51 3786 1 1 3 GLY N N 0.818 0.882 -2.665 1.00 . A A . 3 GLY N 1 1 51 3787 1 1 3 GLY O O 1.512 -2.377 -3.804 1.00 . A A . 3 GLY O 1 1 51 3788 1 1 4 PHE C C 1.231 -3.924 -0.754 1.00 . A A . 4 PHE C 1 1 51 3789 1 1 4 PHE CA C 2.182 -2.803 -1.150 1.00 . A A . 4 PHE CA 1 1 51 3790 1 1 4 PHE CB C 3.026 -2.389 0.057 1.00 . A A . 4 PHE CB 1 1 51 3791 1 1 4 PHE CD1 C 1.399 -2.030 1.934 1.00 . A A . 4 PHE CD1 1 1 51 3792 1 1 4 PHE CD2 C 2.524 -0.133 1.029 1.00 . A A . 4 PHE CD2 1 1 51 3793 1 1 4 PHE CE1 C 0.732 -1.213 2.827 1.00 . A A . 4 PHE CE1 1 1 51 3794 1 1 4 PHE CE2 C 1.860 0.690 1.917 1.00 . A A . 4 PHE CE2 1 1 51 3795 1 1 4 PHE CG C 2.302 -1.500 1.027 1.00 . A A . 4 PHE CG 1 1 51 3796 1 1 4 PHE CZ C 0.963 0.150 2.818 1.00 . A A . 4 PHE CZ 1 1 51 3797 1 1 4 PHE H H 1.142 -0.959 -1.056 1.00 . A A . 4 PHE H 1 1 51 3798 1 1 4 PHE HA H 2.837 -3.160 -1.930 1.00 . A A . 4 PHE HA 1 1 51 3799 1 1 4 PHE HB2 H 3.335 -3.275 0.590 1.00 . A A . 4 PHE HB2 1 1 51 3800 1 1 4 PHE HB3 H 3.901 -1.860 -0.291 1.00 . A A . 4 PHE HB3 1 1 51 3801 1 1 4 PHE HD1 H 1.219 -3.095 1.941 1.00 . A A . 4 PHE HD1 1 1 51 3802 1 1 4 PHE HD2 H 3.225 0.291 0.325 1.00 . A A . 4 PHE HD2 1 1 51 3803 1 1 4 PHE HE1 H 0.032 -1.638 3.530 1.00 . A A . 4 PHE HE1 1 1 51 3804 1 1 4 PHE HE2 H 2.043 1.754 1.909 1.00 . A A . 4 PHE HE2 1 1 51 3805 1 1 4 PHE HZ H 0.443 0.791 3.516 1.00 . A A . 4 PHE HZ 1 1 51 3806 1 1 4 PHE N N 1.445 -1.658 -1.673 1.00 . A A . 4 PHE N 1 1 51 3807 1 1 4 PHE O O 1.513 -5.102 -0.977 1.00 . A A . 4 PHE O 1 1 51 3808 1 1 5 MET C C -1.756 -4.977 -0.909 1.00 . A A . 5 MET C 1 1 51 3809 1 1 5 MET CA C -0.896 -4.523 0.266 1.00 . A A . 5 MET CA 1 1 51 3810 1 1 5 MET CB C -1.782 -3.925 1.361 1.00 . A A . 5 MET CB 1 1 51 3811 1 1 5 MET CE C -2.828 -1.476 3.475 1.00 . A A . 5 MET CE 1 1 51 3812 1 1 5 MET CG C -2.413 -2.597 0.976 1.00 . A A . 5 MET CG 1 1 51 3813 1 1 5 MET H H -0.064 -2.595 -0.014 1.00 . A A . 5 MET H 1 1 51 3814 1 1 5 MET HA H -0.373 -5.378 0.665 1.00 . A A . 5 MET HA 1 1 51 3815 1 1 5 MET HB2 H -2.574 -4.624 1.587 1.00 . A A . 5 MET HB2 1 1 51 3816 1 1 5 MET HB3 H -1.185 -3.773 2.248 1.00 . A A . 5 MET HB3 1 1 51 3817 1 1 5 MET HE1 H -2.339 -0.557 3.187 1.00 . A A . 5 MET HE1 1 1 51 3818 1 1 5 MET HE2 H -2.086 -2.199 3.780 1.00 . A A . 5 MET HE2 1 1 51 3819 1 1 5 MET HE3 H -3.501 -1.284 4.298 1.00 . A A . 5 MET HE3 1 1 51 3820 1 1 5 MET HG2 H -1.653 -1.831 1.004 1.00 . A A . 5 MET HG2 1 1 51 3821 1 1 5 MET HG3 H -2.806 -2.677 -0.027 1.00 . A A . 5 MET HG3 1 1 51 3822 1 1 5 MET N N 0.102 -3.550 -0.165 1.00 . A A . 5 MET N 1 1 51 3823 1 1 5 MET O O -2.240 -4.104 -1.660 1.00 . A A . 5 MET O 1 1 51 3824 1 1 5 MET OXT O -1.937 -6.202 -1.070 1.00 . A A . 5 MET OXT 1 1 51 3825 1 1 5 MET SD S -3.753 -2.120 2.084 1.00 . A A . 5 MET SD 1 1 52 3826 1 1 1 TYR C C 1.471 3.512 0.094 1.00 . A A . 1 TYR C 1 1 52 3827 1 1 1 TYR CA C 0.572 3.548 1.325 1.00 . A A . 1 TYR CA 1 1 52 3828 1 1 1 TYR CB C -0.599 4.504 1.091 1.00 . A A . 1 TYR CB 1 1 52 3829 1 1 1 TYR CD1 C -2.532 2.933 0.674 1.00 . A A . 1 TYR CD1 1 1 52 3830 1 1 1 TYR CD2 C -1.867 4.395 -1.087 1.00 . A A . 1 TYR CD2 1 1 52 3831 1 1 1 TYR CE1 C -3.527 2.410 -0.132 1.00 . A A . 1 TYR CE1 1 1 52 3832 1 1 1 TYR CE2 C -2.857 3.878 -1.898 1.00 . A A . 1 TYR CE2 1 1 52 3833 1 1 1 TYR CG C -1.687 3.932 0.210 1.00 . A A . 1 TYR CG 1 1 52 3834 1 1 1 TYR CZ C -3.685 2.886 -1.416 1.00 . A A . 1 TYR CZ 1 1 52 3835 1 1 1 TYR H1 H 1.353 5.042 2.507 1.00 . A A . 1 TYR H1 1 1 52 3836 1 1 1 TYR H2 H 2.279 3.598 2.474 1.00 . A A . 1 TYR H2 1 1 52 3837 1 1 1 TYR H3 H 0.815 3.660 3.366 1.00 . A A . 1 TYR H3 1 1 52 3838 1 1 1 TYR HA H 0.190 2.556 1.512 1.00 . A A . 1 TYR HA 1 1 52 3839 1 1 1 TYR HB2 H -1.041 4.760 2.040 1.00 . A A . 1 TYR HB2 1 1 52 3840 1 1 1 TYR HB3 H -0.228 5.400 0.617 1.00 . A A . 1 TYR HB3 1 1 52 3841 1 1 1 TYR HD1 H -2.405 2.561 1.680 1.00 . A A . 1 TYR HD1 1 1 52 3842 1 1 1 TYR HD2 H -1.216 5.171 -1.462 1.00 . A A . 1 TYR HD2 1 1 52 3843 1 1 1 TYR HE1 H -4.175 1.633 0.246 1.00 . A A . 1 TYR HE1 1 1 52 3844 1 1 1 TYR HE2 H -2.979 4.251 -2.904 1.00 . A A . 1 TYR HE2 1 1 52 3845 1 1 1 TYR HH H -5.534 2.590 -1.854 1.00 . A A . 1 TYR HH 1 1 52 3846 1 1 1 TYR N N 1.323 4.003 2.526 1.00 . A A . 1 TYR N 1 1 52 3847 1 1 1 TYR O O 2.639 3.896 0.153 1.00 . A A . 1 TYR O 1 1 52 3848 1 1 1 TYR OH O -4.674 2.369 -2.221 1.00 . A A . 1 TYR OH 1 1 52 3849 1 1 2 GLY C C 1.263 1.793 -3.117 1.00 . A A . 2 GLY C 1 1 52 3850 1 1 2 GLY CA C 1.672 2.971 -2.253 1.00 . A A . 2 GLY CA 1 1 52 3851 1 1 2 GLY H H -0.015 2.761 -1.007 1.00 . A A . 2 GLY H 1 1 52 3852 1 1 2 GLY HA2 H 1.515 3.881 -2.811 1.00 . A A . 2 GLY HA2 1 1 52 3853 1 1 2 GLY HA3 H 2.721 2.883 -2.015 1.00 . A A . 2 GLY HA3 1 1 52 3854 1 1 2 GLY N N 0.916 3.049 -1.021 1.00 . A A . 2 GLY N 1 1 52 3855 1 1 2 GLY O O 1.548 1.767 -4.314 1.00 . A A . 2 GLY O 1 1 52 3856 1 1 3 GLY C C 0.934 -1.595 -2.893 1.00 . A A . 3 GLY C 1 1 52 3857 1 1 3 GLY CA C 0.153 -0.350 -3.254 1.00 . A A . 3 GLY CA 1 1 52 3858 1 1 3 GLY H H 0.391 0.892 -1.557 1.00 . A A . 3 GLY H 1 1 52 3859 1 1 3 GLY HA2 H -0.892 -0.523 -3.044 1.00 . A A . 3 GLY HA2 1 1 52 3860 1 1 3 GLY HA3 H 0.270 -0.157 -4.310 1.00 . A A . 3 GLY HA3 1 1 52 3861 1 1 3 GLY N N 0.591 0.818 -2.512 1.00 . A A . 3 GLY N 1 1 52 3862 1 1 3 GLY O O 1.158 -2.462 -3.737 1.00 . A A . 3 GLY O 1 1 52 3863 1 1 4 PHE C C 1.160 -3.937 -0.673 1.00 . A A . 4 PHE C 1 1 52 3864 1 1 4 PHE CA C 2.101 -2.845 -1.164 1.00 . A A . 4 PHE CA 1 1 52 3865 1 1 4 PHE CB C 3.060 -2.443 -0.042 1.00 . A A . 4 PHE CB 1 1 52 3866 1 1 4 PHE CD1 C 1.604 -2.032 1.959 1.00 . A A . 4 PHE CD1 1 1 52 3867 1 1 4 PHE CD2 C 2.724 -0.173 0.971 1.00 . A A . 4 PHE CD2 1 1 52 3868 1 1 4 PHE CE1 C 1.041 -1.195 2.904 1.00 . A A . 4 PHE CE1 1 1 52 3869 1 1 4 PHE CE2 C 2.165 0.669 1.913 1.00 . A A . 4 PHE CE2 1 1 52 3870 1 1 4 PHE CG C 2.449 -1.530 0.983 1.00 . A A . 4 PHE CG 1 1 52 3871 1 1 4 PHE CZ C 1.323 0.157 2.882 1.00 . A A . 4 PHE CZ 1 1 52 3872 1 1 4 PHE H H 1.132 -0.967 -1.005 1.00 . A A . 4 PHE H 1 1 52 3873 1 1 4 PHE HA H 2.674 -3.226 -1.996 1.00 . A A . 4 PHE HA 1 1 52 3874 1 1 4 PHE HB2 H 3.393 -3.334 0.469 1.00 . A A . 4 PHE HB2 1 1 52 3875 1 1 4 PHE HB3 H 3.914 -1.940 -0.471 1.00 . A A . 4 PHE HB3 1 1 52 3876 1 1 4 PHE HD1 H 1.383 -3.089 1.977 1.00 . A A . 4 PHE HD1 1 1 52 3877 1 1 4 PHE HD2 H 3.381 0.228 0.214 1.00 . A A . 4 PHE HD2 1 1 52 3878 1 1 4 PHE HE1 H 0.384 -1.597 3.660 1.00 . A A . 4 PHE HE1 1 1 52 3879 1 1 4 PHE HE2 H 2.387 1.725 1.894 1.00 . A A . 4 PHE HE2 1 1 52 3880 1 1 4 PHE HZ H 0.885 0.813 3.619 1.00 . A A . 4 PHE HZ 1 1 52 3881 1 1 4 PHE N N 1.345 -1.689 -1.634 1.00 . A A . 4 PHE N 1 1 52 3882 1 1 4 PHE O O 1.397 -5.125 -0.893 1.00 . A A . 4 PHE O 1 1 52 3883 1 1 5 MET C C -1.899 -4.856 -0.562 1.00 . A A . 5 MET C 1 1 52 3884 1 1 5 MET CA C -0.896 -4.460 0.517 1.00 . A A . 5 MET CA 1 1 52 3885 1 1 5 MET CB C -1.630 -3.859 1.724 1.00 . A A . 5 MET CB 1 1 52 3886 1 1 5 MET CE C -2.157 -0.310 -0.234 1.00 . A A . 5 MET CE 1 1 52 3887 1 1 5 MET CG C -1.932 -2.371 1.603 1.00 . A A . 5 MET CG 1 1 52 3888 1 1 5 MET H H -0.038 -2.563 0.132 1.00 . A A . 5 MET H 1 1 52 3889 1 1 5 MET HA H -0.367 -5.345 0.838 1.00 . A A . 5 MET HA 1 1 52 3890 1 1 5 MET HB2 H -2.566 -4.381 1.856 1.00 . A A . 5 MET HB2 1 1 52 3891 1 1 5 MET HB3 H -1.022 -4.007 2.604 1.00 . A A . 5 MET HB3 1 1 52 3892 1 1 5 MET HE1 H -1.092 -0.371 -0.399 1.00 . A A . 5 MET HE1 1 1 52 3893 1 1 5 MET HE2 H -2.355 0.326 0.615 1.00 . A A . 5 MET HE2 1 1 52 3894 1 1 5 MET HE3 H -2.635 0.102 -1.111 1.00 . A A . 5 MET HE3 1 1 52 3895 1 1 5 MET HG2 H -2.541 -2.073 2.443 1.00 . A A . 5 MET HG2 1 1 52 3896 1 1 5 MET HG3 H -1.000 -1.826 1.628 1.00 . A A . 5 MET HG3 1 1 52 3897 1 1 5 MET N N 0.090 -3.522 -0.007 1.00 . A A . 5 MET N 1 1 52 3898 1 1 5 MET O O -1.645 -4.552 -1.746 1.00 . A A . 5 MET O 1 1 52 3899 1 1 5 MET OXT O -2.931 -5.469 -0.213 1.00 . A A . 5 MET OXT 1 1 52 3900 1 1 5 MET SD S -2.808 -1.949 0.083 1.00 . A A . 5 MET SD 1 1 53 3901 1 1 1 TYR C C 1.516 3.582 -0.056 1.00 . A A . 1 TYR C 1 1 53 3902 1 1 1 TYR CA C 0.567 3.615 1.137 1.00 . A A . 1 TYR CA 1 1 53 3903 1 1 1 TYR CB C -0.584 4.586 0.866 1.00 . A A . 1 TYR CB 1 1 53 3904 1 1 1 TYR CD1 C -2.505 3.028 0.355 1.00 . A A . 1 TYR CD1 1 1 53 3905 1 1 1 TYR CD2 C -1.773 4.517 -1.357 1.00 . A A . 1 TYR CD2 1 1 53 3906 1 1 1 TYR CE1 C -3.469 2.520 -0.494 1.00 . A A . 1 TYR CE1 1 1 53 3907 1 1 1 TYR CE2 C -2.734 4.014 -2.212 1.00 . A A . 1 TYR CE2 1 1 53 3908 1 1 1 TYR CG C -1.641 4.034 -0.061 1.00 . A A . 1 TYR CG 1 1 53 3909 1 1 1 TYR CZ C -3.579 3.017 -1.776 1.00 . A A . 1 TYR CZ 1 1 53 3910 1 1 1 TYR H1 H 2.206 3.592 2.380 1.00 . A A . 1 TYR H1 1 1 53 3911 1 1 1 TYR H2 H 0.699 3.741 3.186 1.00 . A A . 1 TYR H2 1 1 53 3912 1 1 1 TYR H3 H 1.360 5.082 2.342 1.00 . A A . 1 TYR H3 1 1 53 3913 1 1 1 TYR HA H 0.167 2.625 1.297 1.00 . A A . 1 TYR HA 1 1 53 3914 1 1 1 TYR HB2 H -1.061 4.838 1.801 1.00 . A A . 1 TYR HB2 1 1 53 3915 1 1 1 TYR HB3 H -0.186 5.483 0.417 1.00 . A A . 1 TYR HB3 1 1 53 3916 1 1 1 TYR HD1 H -2.415 2.641 1.359 1.00 . A A . 1 TYR HD1 1 1 53 3917 1 1 1 TYR HD2 H -1.108 5.298 -1.695 1.00 . A A . 1 TYR HD2 1 1 53 3918 1 1 1 TYR HE1 H -4.132 1.739 -0.154 1.00 . A A . 1 TYR HE1 1 1 53 3919 1 1 1 TYR HE2 H -2.817 4.404 -3.216 1.00 . A A . 1 TYR HE2 1 1 53 3920 1 1 1 TYR HH H -4.119 2.191 -3.427 1.00 . A A . 1 TYR HH 1 1 53 3921 1 1 1 TYR N N 1.271 4.047 2.373 1.00 . A A . 1 TYR N 1 1 53 3922 1 1 1 TYR O O 2.686 3.947 0.057 1.00 . A A . 1 TYR O 1 1 53 3923 1 1 1 TYR OH O -4.539 2.513 -2.626 1.00 . A A . 1 TYR OH 1 1 53 3924 1 1 2 GLY C C 1.453 1.880 -3.270 1.00 . A A . 2 GLY C 1 1 53 3925 1 1 2 GLY CA C 1.809 3.070 -2.399 1.00 . A A . 2 GLY CA 1 1 53 3926 1 1 2 GLY H H 0.067 2.867 -1.230 1.00 . A A . 2 GLY H 1 1 53 3927 1 1 2 GLY HA2 H 1.662 3.973 -2.970 1.00 . A A . 2 GLY HA2 1 1 53 3928 1 1 2 GLY HA3 H 2.848 2.998 -2.117 1.00 . A A . 2 GLY HA3 1 1 53 3929 1 1 2 GLY N N 1.002 3.143 -1.200 1.00 . A A . 2 GLY N 1 1 53 3930 1 1 2 GLY O O 1.732 1.874 -4.469 1.00 . A A . 2 GLY O 1 1 53 3931 1 1 3 GLY C C 1.228 -1.543 -2.995 1.00 . A A . 3 GLY C 1 1 53 3932 1 1 3 GLY CA C 0.445 -0.314 -3.412 1.00 . A A . 3 GLY CA 1 1 53 3933 1 1 3 GLY H H 0.633 0.929 -1.709 1.00 . A A . 3 GLY H 1 1 53 3934 1 1 3 GLY HA2 H -0.606 -0.500 -3.249 1.00 . A A . 3 GLY HA2 1 1 53 3935 1 1 3 GLY HA3 H 0.611 -0.135 -4.464 1.00 . A A . 3 GLY HA3 1 1 53 3936 1 1 3 GLY N N 0.831 0.870 -2.668 1.00 . A A . 3 GLY N 1 1 53 3937 1 1 3 GLY O O 1.614 -2.356 -3.835 1.00 . A A . 3 GLY O 1 1 53 3938 1 1 4 PHE C C 1.254 -3.962 -0.818 1.00 . A A . 4 PHE C 1 1 53 3939 1 1 4 PHE CA C 2.200 -2.819 -1.167 1.00 . A A . 4 PHE CA 1 1 53 3940 1 1 4 PHE CB C 3.002 -2.411 0.070 1.00 . A A . 4 PHE CB 1 1 53 3941 1 1 4 PHE CD1 C 1.318 -2.129 1.910 1.00 . A A . 4 PHE CD1 1 1 53 3942 1 1 4 PHE CD2 C 2.418 -0.186 1.071 1.00 . A A . 4 PHE CD2 1 1 53 3943 1 1 4 PHE CE1 C 0.608 -1.345 2.800 1.00 . A A . 4 PHE CE1 1 1 53 3944 1 1 4 PHE CE2 C 1.711 0.602 1.958 1.00 . A A . 4 PHE CE2 1 1 53 3945 1 1 4 PHE CG C 2.230 -1.558 1.037 1.00 . A A . 4 PHE CG 1 1 53 3946 1 1 4 PHE CZ C 0.804 0.021 2.824 1.00 . A A . 4 PHE CZ 1 1 53 3947 1 1 4 PHE H H 1.125 -0.997 -1.075 1.00 . A A . 4 PHE H 1 1 53 3948 1 1 4 PHE HA H 2.883 -3.155 -1.933 1.00 . A A . 4 PHE HA 1 1 53 3949 1 1 4 PHE HB2 H 3.317 -3.300 0.594 1.00 . A A . 4 PHE HB2 1 1 53 3950 1 1 4 PHE HB3 H 3.873 -1.856 -0.242 1.00 . A A . 4 PHE HB3 1 1 53 3951 1 1 4 PHE HD1 H 1.164 -3.198 1.893 1.00 . A A . 4 PHE HD1 1 1 53 3952 1 1 4 PHE HD2 H 3.126 0.269 0.394 1.00 . A A . 4 PHE HD2 1 1 53 3953 1 1 4 PHE HE1 H -0.101 -1.802 3.476 1.00 . A A . 4 PHE HE1 1 1 53 3954 1 1 4 PHE HE2 H 1.866 1.670 1.974 1.00 . A A . 4 PHE HE2 1 1 53 3955 1 1 4 PHE HZ H 0.250 0.636 3.519 1.00 . A A . 4 PHE HZ 1 1 53 3956 1 1 4 PHE N N 1.461 -1.679 -1.695 1.00 . A A . 4 PHE N 1 1 53 3957 1 1 4 PHE O O 1.559 -5.130 -1.053 1.00 . A A . 4 PHE O 1 1 53 3958 1 1 5 MET C C -2.008 -4.687 -0.906 1.00 . A A . 5 MET C 1 1 53 3959 1 1 5 MET CA C -0.892 -4.606 0.132 1.00 . A A . 5 MET CA 1 1 53 3960 1 1 5 MET CB C -1.478 -4.267 1.504 1.00 . A A . 5 MET CB 1 1 53 3961 1 1 5 MET CE C -2.428 -0.675 3.095 1.00 . A A . 5 MET CE 1 1 53 3962 1 1 5 MET CG C -2.245 -2.954 1.529 1.00 . A A . 5 MET CG 1 1 53 3963 1 1 5 MET H H -0.080 -2.663 -0.092 1.00 . A A . 5 MET H 1 1 53 3964 1 1 5 MET HA H -0.399 -5.565 0.188 1.00 . A A . 5 MET HA 1 1 53 3965 1 1 5 MET HB2 H -2.151 -5.057 1.801 1.00 . A A . 5 MET HB2 1 1 53 3966 1 1 5 MET HB3 H -0.673 -4.202 2.220 1.00 . A A . 5 MET HB3 1 1 53 3967 1 1 5 MET HE1 H -2.072 -0.305 4.045 1.00 . A A . 5 MET HE1 1 1 53 3968 1 1 5 MET HE2 H -3.359 -0.187 2.846 1.00 . A A . 5 MET HE2 1 1 53 3969 1 1 5 MET HE3 H -1.696 -0.464 2.329 1.00 . A A . 5 MET HE3 1 1 53 3970 1 1 5 MET HG2 H -1.632 -2.185 1.085 1.00 . A A . 5 MET HG2 1 1 53 3971 1 1 5 MET HG3 H -3.150 -3.070 0.952 1.00 . A A . 5 MET HG3 1 1 53 3972 1 1 5 MET N N 0.103 -3.612 -0.253 1.00 . A A . 5 MET N 1 1 53 3973 1 1 5 MET O O -2.228 -5.789 -1.451 1.00 . A A . 5 MET O 1 1 53 3974 1 1 5 MET OXT O -2.653 -3.649 -1.162 1.00 . A A . 5 MET OXT 1 1 53 3975 1 1 5 MET SD S -2.689 -2.443 3.201 1.00 . A A . 5 MET SD 1 1 54 3976 1 1 1 TYR C C 1.607 3.608 -0.097 1.00 . A A . 1 TYR C 1 1 54 3977 1 1 1 TYR CA C 0.734 3.604 1.153 1.00 . A A . 1 TYR CA 1 1 54 3978 1 1 1 TYR CB C -0.468 4.531 0.954 1.00 . A A . 1 TYR CB 1 1 54 3979 1 1 1 TYR CD1 C -2.392 2.931 0.613 1.00 . A A . 1 TYR CD1 1 1 54 3980 1 1 1 TYR CD2 C -1.778 4.360 -1.194 1.00 . A A . 1 TYR CD2 1 1 54 3981 1 1 1 TYR CE1 C -3.396 2.379 -0.160 1.00 . A A . 1 TYR CE1 1 1 54 3982 1 1 1 TYR CE2 C -2.779 3.813 -1.972 1.00 . A A . 1 TYR CE2 1 1 54 3983 1 1 1 TYR CG C -1.568 3.930 0.111 1.00 . A A . 1 TYR CG 1 1 54 3984 1 1 1 TYR CZ C -3.585 2.824 -1.452 1.00 . A A . 1 TYR CZ 1 1 54 3985 1 1 1 TYR H1 H 1.523 5.102 2.322 1.00 . A A . 1 TYR H1 1 1 54 3986 1 1 1 TYR H2 H 2.453 3.661 2.282 1.00 . A A . 1 TYR H2 1 1 54 3987 1 1 1 TYR H3 H 0.998 3.721 3.190 1.00 . A A . 1 TYR H3 1 1 54 3988 1 1 1 TYR HA H 0.382 2.600 1.336 1.00 . A A . 1 TYR HA 1 1 54 3989 1 1 1 TYR HB2 H -0.887 4.779 1.917 1.00 . A A . 1 TYR HB2 1 1 54 3990 1 1 1 TYR HB3 H -0.135 5.435 0.468 1.00 . A A . 1 TYR HB3 1 1 54 3991 1 1 1 TYR HD1 H -2.242 2.586 1.625 1.00 . A A . 1 TYR HD1 1 1 54 3992 1 1 1 TYR HD2 H -1.146 5.135 -1.599 1.00 . A A . 1 TYR HD2 1 1 54 3993 1 1 1 TYR HE1 H -4.027 1.604 0.249 1.00 . A A . 1 TYR HE1 1 1 54 3994 1 1 1 TYR HE2 H -2.924 4.160 -2.985 1.00 . A A . 1 TYR HE2 1 1 54 3995 1 1 1 TYR HH H -4.204 1.922 -3.033 1.00 . A A . 1 TYR HH 1 1 54 3996 1 1 1 TYR N N 1.495 4.064 2.344 1.00 . A A . 1 TYR N 1 1 54 3997 1 1 1 TYR O O 2.762 4.033 -0.060 1.00 . A A . 1 TYR O 1 1 54 3998 1 1 1 TYR OH O -4.583 2.276 -2.225 1.00 . A A . 1 TYR OH 1 1 54 3999 1 1 2 GLY C C 1.386 1.908 -3.315 1.00 . A A . 2 GLY C 1 1 54 4000 1 1 2 GLY CA C 1.777 3.092 -2.452 1.00 . A A . 2 GLY CA 1 1 54 4001 1 1 2 GLY H H 0.125 2.814 -1.172 1.00 . A A . 2 GLY H 1 1 54 4002 1 1 2 GLY HA2 H 1.577 4.001 -2.998 1.00 . A A . 2 GLY HA2 1 1 54 4003 1 1 2 GLY HA3 H 2.832 3.035 -2.236 1.00 . A A . 2 GLY HA3 1 1 54 4004 1 1 2 GLY N N 1.045 3.134 -1.203 1.00 . A A . 2 GLY N 1 1 54 4005 1 1 2 GLY O O 1.520 1.952 -4.538 1.00 . A A . 2 GLY O 1 1 54 4006 1 1 3 GLY C C 1.253 -1.577 -2.988 1.00 . A A . 3 GLY C 1 1 54 4007 1 1 3 GLY CA C 0.494 -0.337 -3.414 1.00 . A A . 3 GLY CA 1 1 54 4008 1 1 3 GLY H H 0.813 0.869 -1.702 1.00 . A A . 3 GLY H 1 1 54 4009 1 1 3 GLY HA2 H -0.561 -0.503 -3.250 1.00 . A A . 3 GLY HA2 1 1 54 4010 1 1 3 GLY HA3 H 0.661 -0.169 -4.468 1.00 . A A . 3 GLY HA3 1 1 54 4011 1 1 3 GLY N N 0.899 0.847 -2.679 1.00 . A A . 3 GLY N 1 1 54 4012 1 1 3 GLY O O 1.586 -2.424 -3.816 1.00 . A A . 3 GLY O 1 1 54 4013 1 1 4 PHE C C 1.275 -3.939 -0.756 1.00 . A A . 4 PHE C 1 1 54 4014 1 1 4 PHE CA C 2.244 -2.835 -1.158 1.00 . A A . 4 PHE CA 1 1 54 4015 1 1 4 PHE CB C 3.092 -2.424 0.049 1.00 . A A . 4 PHE CB 1 1 54 4016 1 1 4 PHE CD1 C 1.447 -2.044 1.907 1.00 . A A . 4 PHE CD1 1 1 54 4017 1 1 4 PHE CD2 C 2.626 -0.165 1.033 1.00 . A A . 4 PHE CD2 1 1 54 4018 1 1 4 PHE CE1 C 0.787 -1.220 2.798 1.00 . A A . 4 PHE CE1 1 1 54 4019 1 1 4 PHE CE2 C 1.968 0.665 1.921 1.00 . A A . 4 PHE CE2 1 1 54 4020 1 1 4 PHE CG C 2.374 -1.526 1.016 1.00 . A A . 4 PHE CG 1 1 54 4021 1 1 4 PHE CZ C 1.047 0.137 2.805 1.00 . A A . 4 PHE CZ 1 1 54 4022 1 1 4 PHE H H 1.229 -0.979 -1.081 1.00 . A A . 4 PHE H 1 1 54 4023 1 1 4 PHE HA H 2.896 -3.209 -1.934 1.00 . A A . 4 PHE HA 1 1 54 4024 1 1 4 PHE HB2 H 3.393 -3.311 0.584 1.00 . A A . 4 PHE HB2 1 1 54 4025 1 1 4 PHE HB3 H 3.971 -1.903 -0.299 1.00 . A A . 4 PHE HB3 1 1 54 4026 1 1 4 PHE HD1 H 1.243 -3.105 1.902 1.00 . A A . 4 PHE HD1 1 1 54 4027 1 1 4 PHE HD2 H 3.346 0.250 0.343 1.00 . A A . 4 PHE HD2 1 1 54 4028 1 1 4 PHE HE1 H 0.066 -1.636 3.487 1.00 . A A . 4 PHE HE1 1 1 54 4029 1 1 4 PHE HE2 H 2.174 1.725 1.925 1.00 . A A . 4 PHE HE2 1 1 54 4030 1 1 4 PHE HZ H 0.532 0.783 3.500 1.00 . A A . 4 PHE HZ 1 1 54 4031 1 1 4 PHE N N 1.524 -1.686 -1.692 1.00 . A A . 4 PHE N 1 1 54 4032 1 1 4 PHE O O 1.538 -5.122 -0.968 1.00 . A A . 4 PHE O 1 1 54 4033 1 1 5 MET C C -2.096 -4.423 -0.646 1.00 . A A . 5 MET C 1 1 54 4034 1 1 5 MET CA C -0.869 -4.488 0.259 1.00 . A A . 5 MET CA 1 1 54 4035 1 1 5 MET CB C -1.271 -4.210 1.709 1.00 . A A . 5 MET CB 1 1 54 4036 1 1 5 MET CE C -3.851 -0.988 1.359 1.00 . A A . 5 MET CE 1 1 54 4037 1 1 5 MET CG C -1.856 -2.823 1.927 1.00 . A A . 5 MET CG 1 1 54 4038 1 1 5 MET H H 0.001 -2.580 -0.038 1.00 . A A . 5 MET H 1 1 54 4039 1 1 5 MET HA H -0.444 -5.479 0.198 1.00 . A A . 5 MET HA 1 1 54 4040 1 1 5 MET HB2 H -2.010 -4.939 2.011 1.00 . A A . 5 MET HB2 1 1 54 4041 1 1 5 MET HB3 H -0.400 -4.312 2.337 1.00 . A A . 5 MET HB3 1 1 54 4042 1 1 5 MET HE1 H -4.302 -0.569 2.246 1.00 . A A . 5 MET HE1 1 1 54 4043 1 1 5 MET HE2 H -4.495 -0.813 0.510 1.00 . A A . 5 MET HE2 1 1 54 4044 1 1 5 MET HE3 H -2.892 -0.521 1.187 1.00 . A A . 5 MET HE3 1 1 54 4045 1 1 5 MET HG2 H -1.694 -2.537 2.955 1.00 . A A . 5 MET HG2 1 1 54 4046 1 1 5 MET HG3 H -1.348 -2.126 1.277 1.00 . A A . 5 MET HG3 1 1 54 4047 1 1 5 MET N N 0.150 -3.539 -0.175 1.00 . A A . 5 MET N 1 1 54 4048 1 1 5 MET O O -3.066 -5.163 -0.380 1.00 . A A . 5 MET O 1 1 54 4049 1 1 5 MET OXT O -2.075 -3.633 -1.613 1.00 . A A . 5 MET OXT 1 1 54 4050 1 1 5 MET SD S -3.624 -2.751 1.582 1.00 . A A . 5 MET SD 1 1 55 4051 1 1 1 TYR C C 1.572 3.650 -0.062 1.00 . A A . 1 TYR C 1 1 55 4052 1 1 1 TYR CA C 0.647 3.674 1.150 1.00 . A A . 1 TYR CA 1 1 55 4053 1 1 1 TYR CB C -0.534 4.612 0.891 1.00 . A A . 1 TYR CB 1 1 55 4054 1 1 1 TYR CD1 C -2.458 3.029 0.469 1.00 . A A . 1 TYR CD1 1 1 55 4055 1 1 1 TYR CD2 C -1.745 4.439 -1.316 1.00 . A A . 1 TYR CD2 1 1 55 4056 1 1 1 TYR CE1 C -3.429 2.480 -0.347 1.00 . A A . 1 TYR CE1 1 1 55 4057 1 1 1 TYR CE2 C -2.713 3.896 -2.138 1.00 . A A . 1 TYR CE2 1 1 55 4058 1 1 1 TYR CG C -1.600 4.016 -0.001 1.00 . A A . 1 TYR CG 1 1 55 4059 1 1 1 TYR CZ C -3.552 2.917 -1.650 1.00 . A A . 1 TYR CZ 1 1 55 4060 1 1 1 TYR H1 H 2.281 3.652 2.398 1.00 . A A . 1 TYR H1 1 1 55 4061 1 1 1 TYR H2 H 0.779 3.899 3.190 1.00 . A A . 1 TYR H2 1 1 55 4062 1 1 1 TYR H3 H 1.491 5.169 2.282 1.00 . A A . 1 TYR H3 1 1 55 4063 1 1 1 TYR HA H 0.275 2.676 1.331 1.00 . A A . 1 TYR HA 1 1 55 4064 1 1 1 TYR HB2 H -0.994 4.870 1.831 1.00 . A A . 1 TYR HB2 1 1 55 4065 1 1 1 TYR HB3 H -0.169 5.509 0.414 1.00 . A A . 1 TYR HB3 1 1 55 4066 1 1 1 TYR HD1 H -2.359 2.690 1.490 1.00 . A A . 1 TYR HD1 1 1 55 4067 1 1 1 TYR HD2 H -1.086 5.207 -1.696 1.00 . A A . 1 TYR HD2 1 1 55 4068 1 1 1 TYR HE1 H -4.086 1.714 0.036 1.00 . A A . 1 TYR HE1 1 1 55 4069 1 1 1 TYR HE2 H -2.806 4.238 -3.158 1.00 . A A . 1 TYR HE2 1 1 55 4070 1 1 1 TYR HH H -4.908 3.063 -3.005 1.00 . A A . 1 TYR HH 1 1 55 4071 1 1 1 TYR N N 1.364 4.140 2.365 1.00 . A A . 1 TYR N 1 1 55 4072 1 1 1 TYR O O 2.730 4.058 0.018 1.00 . A A . 1 TYR O 1 1 55 4073 1 1 1 TYR OH O -4.517 2.373 -2.465 1.00 . A A . 1 TYR OH 1 1 55 4074 1 1 2 GLY C C 1.429 1.937 -3.286 1.00 . A A . 2 GLY C 1 1 55 4075 1 1 2 GLY CA C 1.831 3.101 -2.402 1.00 . A A . 2 GLY CA 1 1 55 4076 1 1 2 GLY H H 0.124 2.863 -1.188 1.00 . A A . 2 GLY H 1 1 55 4077 1 1 2 GLY HA2 H 1.692 4.019 -2.951 1.00 . A A . 2 GLY HA2 1 1 55 4078 1 1 2 GLY HA3 H 2.873 3.002 -2.142 1.00 . A A . 2 GLY HA3 1 1 55 4079 1 1 2 GLY N N 1.049 3.170 -1.185 1.00 . A A . 2 GLY N 1 1 55 4080 1 1 2 GLY O O 1.612 1.982 -4.503 1.00 . A A . 2 GLY O 1 1 55 4081 1 1 3 GLY C C 1.155 -1.542 -2.994 1.00 . A A . 3 GLY C 1 1 55 4082 1 1 3 GLY CA C 0.454 -0.271 -3.434 1.00 . A A . 3 GLY CA 1 1 55 4083 1 1 3 GLY H H 0.754 0.914 -1.704 1.00 . A A . 3 GLY H 1 1 55 4084 1 1 3 GLY HA2 H -0.610 -0.399 -3.309 1.00 . A A . 3 GLY HA2 1 1 55 4085 1 1 3 GLY HA3 H 0.665 -0.101 -4.480 1.00 . A A . 3 GLY HA3 1 1 55 4086 1 1 3 GLY N N 0.878 0.892 -2.676 1.00 . A A . 3 GLY N 1 1 55 4087 1 1 3 GLY O O 1.458 -2.406 -3.817 1.00 . A A . 3 GLY O 1 1 55 4088 1 1 4 PHE C C 1.070 -3.921 -0.800 1.00 . A A . 4 PHE C 1 1 55 4089 1 1 4 PHE CA C 2.081 -2.837 -1.154 1.00 . A A . 4 PHE CA 1 1 55 4090 1 1 4 PHE CB C 2.907 -2.470 0.081 1.00 . A A . 4 PHE CB 1 1 55 4091 1 1 4 PHE CD1 C 1.301 -2.007 1.953 1.00 . A A . 4 PHE CD1 1 1 55 4092 1 1 4 PHE CD2 C 2.477 -0.170 0.988 1.00 . A A . 4 PHE CD2 1 1 55 4093 1 1 4 PHE CE1 C 0.665 -1.144 2.826 1.00 . A A . 4 PHE CE1 1 1 55 4094 1 1 4 PHE CE2 C 1.844 0.697 1.858 1.00 . A A . 4 PHE CE2 1 1 55 4095 1 1 4 PHE CG C 2.213 -1.530 1.025 1.00 . A A . 4 PHE CG 1 1 55 4096 1 1 4 PHE CZ C 0.937 0.209 2.778 1.00 . A A . 4 PHE CZ 1 1 55 4097 1 1 4 PHE H H 1.147 -0.937 -1.088 1.00 . A A . 4 PHE H 1 1 55 4098 1 1 4 PHE HA H 2.744 -3.217 -1.917 1.00 . A A . 4 PHE HA 1 1 55 4099 1 1 4 PHE HB2 H 3.137 -3.372 0.626 1.00 . A A . 4 PHE HB2 1 1 55 4100 1 1 4 PHE HB3 H 3.826 -2.003 -0.238 1.00 . A A . 4 PHE HB3 1 1 55 4101 1 1 4 PHE HD1 H 1.088 -3.065 1.991 1.00 . A A . 4 PHE HD1 1 1 55 4102 1 1 4 PHE HD2 H 3.186 0.212 0.267 1.00 . A A . 4 PHE HD2 1 1 55 4103 1 1 4 PHE HE1 H -0.044 -1.529 3.544 1.00 . A A . 4 PHE HE1 1 1 55 4104 1 1 4 PHE HE2 H 2.060 1.754 1.820 1.00 . A A . 4 PHE HE2 1 1 55 4105 1 1 4 PHE HZ H 0.441 0.885 3.459 1.00 . A A . 4 PHE HZ 1 1 55 4106 1 1 4 PHE N N 1.413 -1.657 -1.695 1.00 . A A . 4 PHE N 1 1 55 4107 1 1 4 PHE O O 1.320 -5.108 -1.005 1.00 . A A . 4 PHE O 1 1 55 4108 1 1 5 MET C C -1.736 -5.102 -1.113 1.00 . A A . 5 MET C 1 1 55 4109 1 1 5 MET CA C -1.124 -4.439 0.117 1.00 . A A . 5 MET CA 1 1 55 4110 1 1 5 MET CB C -2.213 -3.720 0.915 1.00 . A A . 5 MET CB 1 1 55 4111 1 1 5 MET CE C -2.826 -0.677 3.341 1.00 . A A . 5 MET CE 1 1 55 4112 1 1 5 MET CG C -1.672 -2.818 2.011 1.00 . A A . 5 MET CG 1 1 55 4113 1 1 5 MET H H -0.209 -2.544 -0.127 1.00 . A A . 5 MET H 1 1 55 4114 1 1 5 MET HA H -0.679 -5.202 0.739 1.00 . A A . 5 MET HA 1 1 55 4115 1 1 5 MET HB2 H -2.799 -3.115 0.238 1.00 . A A . 5 MET HB2 1 1 55 4116 1 1 5 MET HB3 H -2.857 -4.459 1.370 1.00 . A A . 5 MET HB3 1 1 55 4117 1 1 5 MET HE1 H -3.812 -0.272 3.173 1.00 . A A . 5 MET HE1 1 1 55 4118 1 1 5 MET HE2 H -2.155 -0.320 2.572 1.00 . A A . 5 MET HE2 1 1 55 4119 1 1 5 MET HE3 H -2.465 -0.359 4.308 1.00 . A A . 5 MET HE3 1 1 55 4120 1 1 5 MET HG2 H -0.824 -3.303 2.472 1.00 . A A . 5 MET HG2 1 1 55 4121 1 1 5 MET HG3 H -1.356 -1.885 1.569 1.00 . A A . 5 MET HG3 1 1 55 4122 1 1 5 MET N N -0.072 -3.503 -0.267 1.00 . A A . 5 MET N 1 1 55 4123 1 1 5 MET O O -2.673 -4.515 -1.696 1.00 . A A . 5 MET O 1 1 55 4124 1 1 5 MET OXT O -1.275 -6.202 -1.483 1.00 . A A . 5 MET OXT 1 1 55 4125 1 1 5 MET SD S -2.896 -2.466 3.289 1.00 . A A . 5 MET SD 1 1 56 4126 1 1 1 TYR C C 1.194 3.881 -2.386 1.00 . A A . 1 TYR C 1 1 56 4127 1 1 1 TYR CA C 1.884 4.287 -1.089 1.00 . A A . 1 TYR CA 1 1 56 4128 1 1 1 TYR CB C 0.943 5.139 -0.236 1.00 . A A . 1 TYR CB 1 1 56 4129 1 1 1 TYR CD1 C 0.649 4.069 2.032 1.00 . A A . 1 TYR CD1 1 1 56 4130 1 1 1 TYR CD2 C -1.115 3.846 0.445 1.00 . A A . 1 TYR CD2 1 1 56 4131 1 1 1 TYR CE1 C -0.077 3.332 2.949 1.00 . A A . 1 TYR CE1 1 1 56 4132 1 1 1 TYR CE2 C -1.848 3.110 1.355 1.00 . A A . 1 TYR CE2 1 1 56 4133 1 1 1 TYR CG C 0.144 4.337 0.766 1.00 . A A . 1 TYR CG 1 1 56 4134 1 1 1 TYR CZ C -1.324 2.856 2.605 1.00 . A A . 1 TYR CZ 1 1 56 4135 1 1 1 TYR H1 H 3.811 4.426 -1.797 1.00 . A A . 1 TYR H1 1 1 56 4136 1 1 1 TYR H2 H 3.471 5.431 -0.448 1.00 . A A . 1 TYR H2 1 1 56 4137 1 1 1 TYR H3 H 2.872 5.845 -2.002 1.00 . A A . 1 TYR H3 1 1 56 4138 1 1 1 TYR HA H 2.153 3.396 -0.540 1.00 . A A . 1 TYR HA 1 1 56 4139 1 1 1 TYR HB2 H 1.522 5.868 0.310 1.00 . A A . 1 TYR HB2 1 1 56 4140 1 1 1 TYR HB3 H 0.246 5.649 -0.884 1.00 . A A . 1 TYR HB3 1 1 56 4141 1 1 1 TYR HD1 H 1.626 4.444 2.298 1.00 . A A . 1 TYR HD1 1 1 56 4142 1 1 1 TYR HD2 H -1.522 4.046 -0.536 1.00 . A A . 1 TYR HD2 1 1 56 4143 1 1 1 TYR HE1 H 0.332 3.135 3.928 1.00 . A A . 1 TYR HE1 1 1 56 4144 1 1 1 TYR HE2 H -2.824 2.735 1.084 1.00 . A A . 1 TYR HE2 1 1 56 4145 1 1 1 TYR HH H -1.492 1.445 3.899 1.00 . A A . 1 TYR HH 1 1 56 4146 1 1 1 TYR N N 3.121 5.068 -1.359 1.00 . A A . 1 TYR N 1 1 56 4147 1 1 1 TYR O O 1.545 4.358 -3.466 1.00 . A A . 1 TYR O 1 1 56 4148 1 1 1 TYR OH O -2.051 2.123 3.515 1.00 . A A . 1 TYR OH 1 1 56 4149 1 1 2 GLY C C -0.071 1.168 -3.907 1.00 . A A . 2 GLY C 1 1 56 4150 1 1 2 GLY CA C -0.521 2.539 -3.437 1.00 . A A . 2 GLY CA 1 1 56 4151 1 1 2 GLY H H -0.024 2.655 -1.383 1.00 . A A . 2 GLY H 1 1 56 4152 1 1 2 GLY HA2 H -1.572 2.497 -3.194 1.00 . A A . 2 GLY HA2 1 1 56 4153 1 1 2 GLY HA3 H -0.376 3.248 -4.239 1.00 . A A . 2 GLY HA3 1 1 56 4154 1 1 2 GLY N N 0.209 2.999 -2.270 1.00 . A A . 2 GLY N 1 1 56 4155 1 1 2 GLY O O -0.572 0.656 -4.909 1.00 . A A . 2 GLY O 1 1 56 4156 1 1 3 GLY C C 2.007 -1.476 -2.394 1.00 . A A . 3 GLY C 1 1 56 4157 1 1 3 GLY CA C 1.364 -0.745 -3.556 1.00 . A A . 3 GLY CA 1 1 56 4158 1 1 3 GLY H H 1.237 1.020 -2.396 1.00 . A A . 3 GLY H 1 1 56 4159 1 1 3 GLY HA2 H 0.537 -1.335 -3.922 1.00 . A A . 3 GLY HA2 1 1 56 4160 1 1 3 GLY HA3 H 2.093 -0.636 -4.346 1.00 . A A . 3 GLY HA3 1 1 56 4161 1 1 3 GLY N N 0.873 0.569 -3.186 1.00 . A A . 3 GLY N 1 1 56 4162 1 1 3 GLY O O 2.852 -2.350 -2.591 1.00 . A A . 3 GLY O 1 1 56 4163 1 1 4 PHE C C 1.547 -3.148 0.193 1.00 . A A . 4 PHE C 1 1 56 4164 1 1 4 PHE CA C 2.135 -1.753 0.020 1.00 . A A . 4 PHE CA 1 1 56 4165 1 1 4 PHE CB C 1.821 -0.900 1.251 1.00 . A A . 4 PHE CB 1 1 56 4166 1 1 4 PHE CD1 C -0.476 0.055 0.916 1.00 . A A . 4 PHE CD1 1 1 56 4167 1 1 4 PHE CD2 C -0.186 -1.649 2.558 1.00 . A A . 4 PHE CD2 1 1 56 4168 1 1 4 PHE CE1 C -1.823 0.120 1.217 1.00 . A A . 4 PHE CE1 1 1 56 4169 1 1 4 PHE CE2 C -1.533 -1.588 2.865 1.00 . A A . 4 PHE CE2 1 1 56 4170 1 1 4 PHE CG C 0.357 -0.830 1.582 1.00 . A A . 4 PHE CG 1 1 56 4171 1 1 4 PHE CZ C -2.352 -0.702 2.192 1.00 . A A . 4 PHE CZ 1 1 56 4172 1 1 4 PHE H H 0.920 -0.424 -1.089 1.00 . A A . 4 PHE H 1 1 56 4173 1 1 4 PHE HA H 3.205 -1.834 -0.092 1.00 . A A . 4 PHE HA 1 1 56 4174 1 1 4 PHE HB2 H 2.332 -1.315 2.105 1.00 . A A . 4 PHE HB2 1 1 56 4175 1 1 4 PHE HB3 H 2.172 0.106 1.080 1.00 . A A . 4 PHE HB3 1 1 56 4176 1 1 4 PHE HD1 H -0.064 0.699 0.153 1.00 . A A . 4 PHE HD1 1 1 56 4177 1 1 4 PHE HD2 H 0.454 -2.342 3.085 1.00 . A A . 4 PHE HD2 1 1 56 4178 1 1 4 PHE HE1 H -2.460 0.812 0.690 1.00 . A A . 4 PHE HE1 1 1 56 4179 1 1 4 PHE HE2 H -1.943 -2.232 3.628 1.00 . A A . 4 PHE HE2 1 1 56 4180 1 1 4 PHE HZ H -3.404 -0.651 2.430 1.00 . A A . 4 PHE HZ 1 1 56 4181 1 1 4 PHE N N 1.600 -1.122 -1.180 1.00 . A A . 4 PHE N 1 1 56 4182 1 1 4 PHE O O 2.254 -4.100 0.522 1.00 . A A . 4 PHE O 1 1 56 4183 1 1 5 MET C C -0.422 -5.297 -1.220 1.00 . A A . 5 MET C 1 1 56 4184 1 1 5 MET CA C -0.460 -4.522 0.092 1.00 . A A . 5 MET CA 1 1 56 4185 1 1 5 MET CB C -1.911 -4.283 0.516 1.00 . A A . 5 MET CB 1 1 56 4186 1 1 5 MET CE C -4.858 -2.078 -1.455 1.00 . A A . 5 MET CE 1 1 56 4187 1 1 5 MET CG C -2.607 -3.195 -0.285 1.00 . A A . 5 MET CG 1 1 56 4188 1 1 5 MET H H -0.257 -2.449 -0.292 1.00 . A A . 5 MET H 1 1 56 4189 1 1 5 MET HA H 0.038 -5.103 0.854 1.00 . A A . 5 MET HA 1 1 56 4190 1 1 5 MET HB2 H -2.466 -5.201 0.394 1.00 . A A . 5 MET HB2 1 1 56 4191 1 1 5 MET HB3 H -1.927 -4.000 1.558 1.00 . A A . 5 MET HB3 1 1 56 4192 1 1 5 MET HE1 H -4.594 -2.164 -2.500 1.00 . A A . 5 MET HE1 1 1 56 4193 1 1 5 MET HE2 H -4.360 -1.220 -1.027 1.00 . A A . 5 MET HE2 1 1 56 4194 1 1 5 MET HE3 H -5.927 -1.956 -1.363 1.00 . A A . 5 MET HE3 1 1 56 4195 1 1 5 MET HG2 H -2.538 -2.265 0.260 1.00 . A A . 5 MET HG2 1 1 56 4196 1 1 5 MET HG3 H -2.106 -3.091 -1.236 1.00 . A A . 5 MET HG3 1 1 56 4197 1 1 5 MET N N 0.244 -3.252 -0.033 1.00 . A A . 5 MET N 1 1 56 4198 1 1 5 MET O O -0.454 -6.546 -1.171 1.00 . A A . 5 MET O 1 1 56 4199 1 1 5 MET OXT O -0.361 -4.650 -2.288 1.00 . A A . 5 MET OXT 1 1 56 4200 1 1 5 MET SD S -4.347 -3.559 -0.586 1.00 . A A . 5 MET SD 1 1 57 4201 1 1 1 TYR C C 1.725 3.764 -1.871 1.00 . A A . 1 TYR C 1 1 57 4202 1 1 1 TYR CA C 2.137 4.024 -0.425 1.00 . A A . 1 TYR CA 1 1 57 4203 1 1 1 TYR CB C 1.171 5.012 0.229 1.00 . A A . 1 TYR CB 1 1 57 4204 1 1 1 TYR CD1 C -0.084 3.422 1.736 1.00 . A A . 1 TYR CD1 1 1 57 4205 1 1 1 TYR CD2 C -1.335 4.718 0.173 1.00 . A A . 1 TYR CD2 1 1 57 4206 1 1 1 TYR CE1 C -1.251 2.833 2.187 1.00 . A A . 1 TYR CE1 1 1 57 4207 1 1 1 TYR CE2 C -2.505 4.133 0.620 1.00 . A A . 1 TYR CE2 1 1 57 4208 1 1 1 TYR CG C -0.107 4.373 0.723 1.00 . A A . 1 TYR CG 1 1 57 4209 1 1 1 TYR CZ C -2.458 3.192 1.626 1.00 . A A . 1 TYR CZ 1 1 57 4210 1 1 1 TYR H1 H 4.181 3.812 -0.538 1.00 . A A . 1 TYR H1 1 1 57 4211 1 1 1 TYR H2 H 3.644 4.972 0.606 1.00 . A A . 1 TYR H2 1 1 57 4212 1 1 1 TYR H3 H 3.590 5.330 -1.071 1.00 . A A . 1 TYR H3 1 1 57 4213 1 1 1 TYR HA H 2.116 3.092 0.120 1.00 . A A . 1 TYR HA 1 1 57 4214 1 1 1 TYR HB2 H 1.657 5.476 1.073 1.00 . A A . 1 TYR HB2 1 1 57 4215 1 1 1 TYR HB3 H 0.905 5.773 -0.491 1.00 . A A . 1 TYR HB3 1 1 57 4216 1 1 1 TYR HD1 H 0.862 3.144 2.174 1.00 . A A . 1 TYR HD1 1 1 57 4217 1 1 1 TYR HD2 H -1.370 5.455 -0.614 1.00 . A A . 1 TYR HD2 1 1 57 4218 1 1 1 TYR HE1 H -1.213 2.094 2.974 1.00 . A A . 1 TYR HE1 1 1 57 4219 1 1 1 TYR HE2 H -3.450 4.414 0.178 1.00 . A A . 1 TYR HE2 1 1 57 4220 1 1 1 TYR HH H -4.201 2.438 1.325 1.00 . A A . 1 TYR HH 1 1 57 4221 1 1 1 TYR N N 3.512 4.585 -0.351 1.00 . A A . 1 TYR N 1 1 57 4222 1 1 1 TYR O O 2.462 4.084 -2.804 1.00 . A A . 1 TYR O 1 1 57 4223 1 1 1 TYR OH O -3.621 2.608 2.071 1.00 . A A . 1 TYR OH 1 1 57 4224 1 1 2 GLY C C 0.628 1.599 -3.941 1.00 . A A . 2 GLY C 1 1 57 4225 1 1 2 GLY CA C 0.053 2.885 -3.381 1.00 . A A . 2 GLY CA 1 1 57 4226 1 1 2 GLY H H 0.002 2.947 -1.266 1.00 . A A . 2 GLY H 1 1 57 4227 1 1 2 GLY HA2 H -1.024 2.799 -3.343 1.00 . A A . 2 GLY HA2 1 1 57 4228 1 1 2 GLY HA3 H 0.315 3.701 -4.038 1.00 . A A . 2 GLY HA3 1 1 57 4229 1 1 2 GLY N N 0.545 3.180 -2.047 1.00 . A A . 2 GLY N 1 1 57 4230 1 1 2 GLY O O 0.706 1.423 -5.157 1.00 . A A . 2 GLY O 1 1 57 4231 1 1 3 GLY C C 2.267 -1.309 -2.342 1.00 . A A . 3 GLY C 1 1 57 4232 1 1 3 GLY CA C 1.595 -0.569 -3.477 1.00 . A A . 3 GLY CA 1 1 57 4233 1 1 3 GLY H H 0.941 0.895 -2.095 1.00 . A A . 3 GLY H 1 1 57 4234 1 1 3 GLY HA2 H 0.802 -1.187 -3.871 1.00 . A A . 3 GLY HA2 1 1 57 4235 1 1 3 GLY HA3 H 2.320 -0.386 -4.256 1.00 . A A . 3 GLY HA3 1 1 57 4236 1 1 3 GLY N N 1.030 0.699 -3.051 1.00 . A A . 3 GLY N 1 1 57 4237 1 1 3 GLY O O 3.425 -1.714 -2.447 1.00 . A A . 3 GLY O 1 1 57 4238 1 1 4 PHE C C 1.342 -3.530 0.070 1.00 . A A . 4 PHE C 1 1 57 4239 1 1 4 PHE CA C 2.037 -2.187 -0.084 1.00 . A A . 4 PHE CA 1 1 57 4240 1 1 4 PHE CB C 1.817 -1.345 1.171 1.00 . A A . 4 PHE CB 1 1 57 4241 1 1 4 PHE CD1 C -0.324 -0.115 0.710 1.00 . A A . 4 PHE CD1 1 1 57 4242 1 1 4 PHE CD2 C -0.289 -1.703 2.489 1.00 . A A . 4 PHE CD2 1 1 57 4243 1 1 4 PHE CE1 C -1.653 0.159 0.976 1.00 . A A . 4 PHE CE1 1 1 57 4244 1 1 4 PHE CE2 C -1.618 -1.433 2.760 1.00 . A A . 4 PHE CE2 1 1 57 4245 1 1 4 PHE CG C 0.371 -1.049 1.461 1.00 . A A . 4 PHE CG 1 1 57 4246 1 1 4 PHE CZ C -2.300 -0.501 2.003 1.00 . A A . 4 PHE CZ 1 1 57 4247 1 1 4 PHE H H 0.614 -1.144 -1.245 1.00 . A A . 4 PHE H 1 1 57 4248 1 1 4 PHE HA H 3.095 -2.350 -0.223 1.00 . A A . 4 PHE HA 1 1 57 4249 1 1 4 PHE HB2 H 2.221 -1.870 2.020 1.00 . A A . 4 PHE HB2 1 1 57 4250 1 1 4 PHE HB3 H 2.332 -0.404 1.057 1.00 . A A . 4 PHE HB3 1 1 57 4251 1 1 4 PHE HD1 H 0.180 0.402 -0.093 1.00 . A A . 4 PHE HD1 1 1 57 4252 1 1 4 PHE HD2 H 0.243 -2.433 3.081 1.00 . A A . 4 PHE HD2 1 1 57 4253 1 1 4 PHE HE1 H -2.183 0.890 0.383 1.00 . A A . 4 PHE HE1 1 1 57 4254 1 1 4 PHE HE2 H -2.121 -1.950 3.564 1.00 . A A . 4 PHE HE2 1 1 57 4255 1 1 4 PHE HZ H -3.337 -0.288 2.213 1.00 . A A . 4 PHE HZ 1 1 57 4256 1 1 4 PHE N N 1.529 -1.488 -1.255 1.00 . A A . 4 PHE N 1 1 57 4257 1 1 4 PHE O O 1.960 -4.532 0.428 1.00 . A A . 4 PHE O 1 1 57 4258 1 1 5 MET C C -0.359 -5.753 -1.179 1.00 . A A . 5 MET C 1 1 57 4259 1 1 5 MET CA C -0.760 -4.742 -0.110 1.00 . A A . 5 MET CA 1 1 57 4260 1 1 5 MET CB C -2.245 -4.401 -0.245 1.00 . A A . 5 MET CB 1 1 57 4261 1 1 5 MET CE C -4.509 -1.519 -0.501 1.00 . A A . 5 MET CE 1 1 57 4262 1 1 5 MET CG C -2.692 -3.262 0.656 1.00 . A A . 5 MET CG 1 1 57 4263 1 1 5 MET H H -0.376 -2.693 -0.488 1.00 . A A . 5 MET H 1 1 57 4264 1 1 5 MET HA H -0.587 -5.177 0.863 1.00 . A A . 5 MET HA 1 1 57 4265 1 1 5 MET HB2 H -2.446 -4.121 -1.270 1.00 . A A . 5 MET HB2 1 1 57 4266 1 1 5 MET HB3 H -2.828 -5.277 0.000 1.00 . A A . 5 MET HB3 1 1 57 4267 1 1 5 MET HE1 H -4.918 -1.793 -1.462 1.00 . A A . 5 MET HE1 1 1 57 4268 1 1 5 MET HE2 H -3.506 -1.137 -0.631 1.00 . A A . 5 MET HE2 1 1 57 4269 1 1 5 MET HE3 H -5.129 -0.756 -0.052 1.00 . A A . 5 MET HE3 1 1 57 4270 1 1 5 MET HG2 H -2.437 -3.507 1.676 1.00 . A A . 5 MET HG2 1 1 57 4271 1 1 5 MET HG3 H -2.171 -2.362 0.363 1.00 . A A . 5 MET HG3 1 1 57 4272 1 1 5 MET N N 0.048 -3.532 -0.209 1.00 . A A . 5 MET N 1 1 57 4273 1 1 5 MET O O 0.806 -5.708 -1.628 1.00 . A A . 5 MET O 1 1 57 4274 1 1 5 MET OXT O -1.213 -6.580 -1.560 1.00 . A A . 5 MET OXT 1 1 57 4275 1 1 5 MET SD S -4.467 -2.958 0.563 1.00 . A A . 5 MET SD 1 1 58 4276 1 1 1 TYR C C 1.537 3.418 -1.708 1.00 . A A . 1 TYR C 1 1 58 4277 1 1 1 TYR CA C 1.888 3.649 -0.242 1.00 . A A . 1 TYR CA 1 1 58 4278 1 1 1 TYR CB C 1.048 4.796 0.326 1.00 . A A . 1 TYR CB 1 1 58 4279 1 1 1 TYR CD1 C -0.576 3.442 1.707 1.00 . A A . 1 TYR CD1 1 1 58 4280 1 1 1 TYR CD2 C -1.459 4.942 0.079 1.00 . A A . 1 TYR CD2 1 1 58 4281 1 1 1 TYR CE1 C -1.858 3.063 2.059 1.00 . A A . 1 TYR CE1 1 1 58 4282 1 1 1 TYR CE2 C -2.744 4.570 0.426 1.00 . A A . 1 TYR CE2 1 1 58 4283 1 1 1 TYR CG C -0.355 4.387 0.713 1.00 . A A . 1 TYR CG 1 1 58 4284 1 1 1 TYR CZ C -2.938 3.631 1.416 1.00 . A A . 1 TYR CZ 1 1 58 4285 1 1 1 TYR H1 H 3.453 4.383 0.874 1.00 . A A . 1 TYR H1 1 1 58 4286 1 1 1 TYR H2 H 3.569 4.690 -0.810 1.00 . A A . 1 TYR H2 1 1 58 4287 1 1 1 TYR H3 H 3.874 3.115 -0.200 1.00 . A A . 1 TYR H3 1 1 58 4288 1 1 1 TYR HA H 1.683 2.748 0.316 1.00 . A A . 1 TYR HA 1 1 58 4289 1 1 1 TYR HB2 H 1.534 5.187 1.207 1.00 . A A . 1 TYR HB2 1 1 58 4290 1 1 1 TYR HB3 H 0.973 5.576 -0.416 1.00 . A A . 1 TYR HB3 1 1 58 4291 1 1 1 TYR HD1 H 0.271 3.000 2.209 1.00 . A A . 1 TYR HD1 1 1 58 4292 1 1 1 TYR HD2 H -1.304 5.678 -0.697 1.00 . A A . 1 TYR HD2 1 1 58 4293 1 1 1 TYR HE1 H -2.010 2.326 2.833 1.00 . A A . 1 TYR HE1 1 1 58 4294 1 1 1 TYR HE2 H -3.589 5.014 -0.078 1.00 . A A . 1 TYR HE2 1 1 58 4295 1 1 1 TYR HH H -4.756 3.187 0.973 1.00 . A A . 1 TYR HH 1 1 58 4296 1 1 1 TYR N N 3.325 3.990 -0.080 1.00 . A A . 1 TYR N 1 1 58 4297 1 1 1 TYR O O 2.376 3.592 -2.592 1.00 . A A . 1 TYR O 1 1 58 4298 1 1 1 TYR OH O -4.216 3.257 1.764 1.00 . A A . 1 TYR OH 1 1 58 4299 1 1 2 GLY C C 0.433 1.502 -3.893 1.00 . A A . 2 GLY C 1 1 58 4300 1 1 2 GLY CA C -0.151 2.777 -3.315 1.00 . A A . 2 GLY CA 1 1 58 4301 1 1 2 GLY H H -0.331 2.905 -1.211 1.00 . A A . 2 GLY H 1 1 58 4302 1 1 2 GLY HA2 H -1.229 2.700 -3.320 1.00 . A A . 2 GLY HA2 1 1 58 4303 1 1 2 GLY HA3 H 0.143 3.610 -3.937 1.00 . A A . 2 GLY HA3 1 1 58 4304 1 1 2 GLY N N 0.293 3.026 -1.957 1.00 . A A . 2 GLY N 1 1 58 4305 1 1 2 GLY O O 0.601 1.383 -5.107 1.00 . A A . 2 GLY O 1 1 58 4306 1 1 3 GLY C C 2.122 -1.390 -2.391 1.00 . A A . 3 GLY C 1 1 58 4307 1 1 3 GLY CA C 1.301 -0.714 -3.468 1.00 . A A . 3 GLY CA 1 1 58 4308 1 1 3 GLY H H 0.579 0.701 -2.067 1.00 . A A . 3 GLY H 1 1 58 4309 1 1 3 GLY HA2 H 0.494 -1.374 -3.750 1.00 . A A . 3 GLY HA2 1 1 58 4310 1 1 3 GLY HA3 H 1.928 -0.536 -4.328 1.00 . A A . 3 GLY HA3 1 1 58 4311 1 1 3 GLY N N 0.738 0.548 -3.022 1.00 . A A . 3 GLY N 1 1 58 4312 1 1 3 GLY O O 3.271 -1.768 -2.614 1.00 . A A . 3 GLY O 1 1 58 4313 1 1 4 PHE C C 1.542 -3.534 0.188 1.00 . A A . 4 PHE C 1 1 58 4314 1 1 4 PHE CA C 2.175 -2.181 -0.091 1.00 . A A . 4 PHE CA 1 1 58 4315 1 1 4 PHE CB C 2.058 -1.294 1.147 1.00 . A A . 4 PHE CB 1 1 58 4316 1 1 4 PHE CD1 C -0.082 -0.020 0.846 1.00 . A A . 4 PHE CD1 1 1 58 4317 1 1 4 PHE CD2 C 0.024 -1.662 2.572 1.00 . A A . 4 PHE CD2 1 1 58 4318 1 1 4 PHE CE1 C -1.389 0.265 1.191 1.00 . A A . 4 PHE CE1 1 1 58 4319 1 1 4 PHE CE2 C -1.282 -1.380 2.924 1.00 . A A . 4 PHE CE2 1 1 58 4320 1 1 4 PHE CG C 0.639 -0.985 1.530 1.00 . A A . 4 PHE CG 1 1 58 4321 1 1 4 PHE CZ C -1.990 -0.416 2.233 1.00 . A A . 4 PHE CZ 1 1 58 4322 1 1 4 PHE H H 0.600 -1.222 -1.117 1.00 . A A . 4 PHE H 1 1 58 4323 1 1 4 PHE HA H 3.217 -2.319 -0.336 1.00 . A A . 4 PHE HA 1 1 58 4324 1 1 4 PHE HB2 H 2.525 -1.793 1.981 1.00 . A A . 4 PHE HB2 1 1 58 4325 1 1 4 PHE HB3 H 2.563 -0.360 0.960 1.00 . A A . 4 PHE HB3 1 1 58 4326 1 1 4 PHE HD1 H 0.386 0.513 0.031 1.00 . A A . 4 PHE HD1 1 1 58 4327 1 1 4 PHE HD2 H 0.577 -2.415 3.113 1.00 . A A . 4 PHE HD2 1 1 58 4328 1 1 4 PHE HE1 H -1.939 1.019 0.648 1.00 . A A . 4 PHE HE1 1 1 58 4329 1 1 4 PHE HE2 H -1.749 -1.914 3.739 1.00 . A A . 4 PHE HE2 1 1 58 4330 1 1 4 PHE HZ H -3.011 -0.196 2.505 1.00 . A A . 4 PHE HZ 1 1 58 4331 1 1 4 PHE N N 1.519 -1.544 -1.221 1.00 . A A . 4 PHE N 1 1 58 4332 1 1 4 PHE O O 2.226 -4.505 0.511 1.00 . A A . 4 PHE O 1 1 58 4333 1 1 5 MET C C -0.756 -5.567 -0.999 1.00 . A A . 5 MET C 1 1 58 4334 1 1 5 MET CA C -0.534 -4.798 0.300 1.00 . A A . 5 MET CA 1 1 58 4335 1 1 5 MET CB C -1.877 -4.470 0.958 1.00 . A A . 5 MET CB 1 1 58 4336 1 1 5 MET CE C -2.718 -1.492 -1.740 1.00 . A A . 5 MET CE 1 1 58 4337 1 1 5 MET CG C -2.546 -3.206 0.431 1.00 . A A . 5 MET CG 1 1 58 4338 1 1 5 MET H H -0.252 -2.764 -0.193 1.00 . A A . 5 MET H 1 1 58 4339 1 1 5 MET HA H 0.042 -5.417 0.972 1.00 . A A . 5 MET HA 1 1 58 4340 1 1 5 MET HB2 H -2.551 -5.297 0.802 1.00 . A A . 5 MET HB2 1 1 58 4341 1 1 5 MET HB3 H -1.715 -4.345 2.017 1.00 . A A . 5 MET HB3 1 1 58 4342 1 1 5 MET HE1 H -2.612 -1.364 -2.808 1.00 . A A . 5 MET HE1 1 1 58 4343 1 1 5 MET HE2 H -1.867 -1.055 -1.238 1.00 . A A . 5 MET HE2 1 1 58 4344 1 1 5 MET HE3 H -3.622 -1.002 -1.407 1.00 . A A . 5 MET HE3 1 1 58 4345 1 1 5 MET HG2 H -3.504 -3.095 0.916 1.00 . A A . 5 MET HG2 1 1 58 4346 1 1 5 MET HG3 H -1.923 -2.357 0.674 1.00 . A A . 5 MET HG3 1 1 58 4347 1 1 5 MET N N 0.224 -3.578 0.063 1.00 . A A . 5 MET N 1 1 58 4348 1 1 5 MET O O 0.018 -5.350 -1.955 1.00 . A A . 5 MET O 1 1 58 4349 1 1 5 MET OXT O -1.704 -6.379 -1.050 1.00 . A A . 5 MET OXT 1 1 58 4350 1 1 5 MET SD S -2.808 -3.237 -1.353 1.00 . A A . 5 MET SD 1 1 59 4351 1 1 1 TYR C C 1.644 3.524 -1.732 1.00 . A A . 1 TYR C 1 1 59 4352 1 1 1 TYR CA C 2.027 3.878 -0.299 1.00 . A A . 1 TYR CA 1 1 59 4353 1 1 1 TYR CB C 1.101 4.971 0.239 1.00 . A A . 1 TYR CB 1 1 59 4354 1 1 1 TYR CD1 C -0.383 3.493 1.649 1.00 . A A . 1 TYR CD1 1 1 59 4355 1 1 1 TYR CD2 C -1.417 4.947 0.068 1.00 . A A . 1 TYR CD2 1 1 59 4356 1 1 1 TYR CE1 C -1.624 3.022 2.033 1.00 . A A . 1 TYR CE1 1 1 59 4357 1 1 1 TYR CE2 C -2.661 4.481 0.446 1.00 . A A . 1 TYR CE2 1 1 59 4358 1 1 1 TYR CG C -0.259 4.462 0.661 1.00 . A A . 1 TYR CG 1 1 59 4359 1 1 1 TYR CZ C -2.760 3.519 1.429 1.00 . A A . 1 TYR CZ 1 1 59 4360 1 1 1 TYR H1 H 3.635 4.586 0.772 1.00 . A A . 1 TYR H1 1 1 59 4361 1 1 1 TYR H2 H 3.502 5.215 -0.818 1.00 . A A . 1 TYR H2 1 1 59 4362 1 1 1 TYR H3 H 4.048 3.607 -0.573 1.00 . A A . 1 TYR H3 1 1 59 4363 1 1 1 TYR HA H 1.934 2.997 0.317 1.00 . A A . 1 TYR HA 1 1 59 4364 1 1 1 TYR HB2 H 1.562 5.435 1.098 1.00 . A A . 1 TYR HB2 1 1 59 4365 1 1 1 TYR HB3 H 0.951 5.714 -0.529 1.00 . A A . 1 TYR HB3 1 1 59 4366 1 1 1 TYR HD1 H 0.508 3.106 2.119 1.00 . A A . 1 TYR HD1 1 1 59 4367 1 1 1 TYR HD2 H -1.337 5.700 -0.702 1.00 . A A . 1 TYR HD2 1 1 59 4368 1 1 1 TYR HE1 H -1.700 2.267 2.802 1.00 . A A . 1 TYR HE1 1 1 59 4369 1 1 1 TYR HE2 H -3.550 4.870 -0.028 1.00 . A A . 1 TYR HE2 1 1 59 4370 1 1 1 TYR HH H -4.441 3.720 2.340 1.00 . A A . 1 TYR HH 1 1 59 4371 1 1 1 TYR N N 3.429 4.365 -0.223 1.00 . A A . 1 TYR N 1 1 59 4372 1 1 1 TYR O O 2.429 3.712 -2.661 1.00 . A A . 1 TYR O 1 1 59 4373 1 1 1 TYR OH O -3.998 3.054 1.810 1.00 . A A . 1 TYR OH 1 1 59 4374 1 1 2 GLY C C 0.723 1.455 -3.792 1.00 . A A . 2 GLY C 1 1 59 4375 1 1 2 GLY CA C -0.038 2.634 -3.220 1.00 . A A . 2 GLY CA 1 1 59 4376 1 1 2 GLY H H -0.148 2.882 -1.124 1.00 . A A . 2 GLY H 1 1 59 4377 1 1 2 GLY HA2 H -1.086 2.374 -3.155 1.00 . A A . 2 GLY HA2 1 1 59 4378 1 1 2 GLY HA3 H 0.073 3.477 -3.885 1.00 . A A . 2 GLY HA3 1 1 59 4379 1 1 2 GLY N N 0.432 3.009 -1.902 1.00 . A A . 2 GLY N 1 1 59 4380 1 1 2 GLY O O 1.433 1.590 -4.790 1.00 . A A . 2 GLY O 1 1 59 4381 1 1 3 GLY C C 1.875 -1.713 -2.508 1.00 . A A . 3 GLY C 1 1 59 4382 1 1 3 GLY CA C 1.255 -0.898 -3.630 1.00 . A A . 3 GLY CA 1 1 59 4383 1 1 3 GLY H H -0.011 0.249 -2.375 1.00 . A A . 3 GLY H 1 1 59 4384 1 1 3 GLY HA2 H 0.544 -1.520 -4.153 1.00 . A A . 3 GLY HA2 1 1 59 4385 1 1 3 GLY HA3 H 2.033 -0.606 -4.319 1.00 . A A . 3 GLY HA3 1 1 59 4386 1 1 3 GLY N N 0.572 0.295 -3.162 1.00 . A A . 3 GLY N 1 1 59 4387 1 1 3 GLY O O 2.571 -2.697 -2.763 1.00 . A A . 3 GLY O 1 1 59 4388 1 1 4 PHE C C 1.493 -3.381 0.034 1.00 . A A . 4 PHE C 1 1 59 4389 1 1 4 PHE CA C 2.163 -2.024 -0.112 1.00 . A A . 4 PHE CA 1 1 59 4390 1 1 4 PHE CB C 1.960 -1.205 1.163 1.00 . A A . 4 PHE CB 1 1 59 4391 1 1 4 PHE CD1 C -0.259 -0.047 0.923 1.00 . A A . 4 PHE CD1 1 1 59 4392 1 1 4 PHE CD2 C -0.055 -1.786 2.543 1.00 . A A . 4 PHE CD2 1 1 59 4393 1 1 4 PHE CE1 C -1.580 0.136 1.282 1.00 . A A . 4 PHE CE1 1 1 59 4394 1 1 4 PHE CE2 C -1.377 -1.607 2.905 1.00 . A A . 4 PHE CE2 1 1 59 4395 1 1 4 PHE CG C 0.519 -1.009 1.548 1.00 . A A . 4 PHE CG 1 1 59 4396 1 1 4 PHE CZ C -2.140 -0.645 2.274 1.00 . A A . 4 PHE CZ 1 1 59 4397 1 1 4 PHE H H 1.063 -0.527 -1.119 1.00 . A A . 4 PHE H 1 1 59 4398 1 1 4 PHE HA H 3.220 -2.171 -0.275 1.00 . A A . 4 PHE HA 1 1 59 4399 1 1 4 PHE HB2 H 2.451 -1.706 1.980 1.00 . A A . 4 PHE HB2 1 1 59 4400 1 1 4 PHE HB3 H 2.401 -0.231 1.026 1.00 . A A . 4 PHE HB3 1 1 59 4401 1 1 4 PHE HD1 H 0.178 0.565 0.148 1.00 . A A . 4 PHE HD1 1 1 59 4402 1 1 4 PHE HD2 H 0.541 -2.539 3.037 1.00 . A A . 4 PHE HD2 1 1 59 4403 1 1 4 PHE HE1 H -2.174 0.890 0.786 1.00 . A A . 4 PHE HE1 1 1 59 4404 1 1 4 PHE HE2 H -1.812 -2.220 3.682 1.00 . A A . 4 PHE HE2 1 1 59 4405 1 1 4 PHE HZ H -3.173 -0.503 2.556 1.00 . A A . 4 PHE HZ 1 1 59 4406 1 1 4 PHE N N 1.624 -1.313 -1.265 1.00 . A A . 4 PHE N 1 1 59 4407 1 1 4 PHE O O 2.136 -4.378 0.362 1.00 . A A . 4 PHE O 1 1 59 4408 1 1 5 MET C C -0.185 -5.616 -1.215 1.00 . A A . 5 MET C 1 1 59 4409 1 1 5 MET CA C -0.588 -4.631 -0.122 1.00 . A A . 5 MET CA 1 1 59 4410 1 1 5 MET CB C -2.083 -4.322 -0.229 1.00 . A A . 5 MET CB 1 1 59 4411 1 1 5 MET CE C -3.964 -1.242 -0.686 1.00 . A A . 5 MET CE 1 1 59 4412 1 1 5 MET CG C -2.540 -3.189 0.674 1.00 . A A . 5 MET CG 1 1 59 4413 1 1 5 MET H H -0.251 -2.568 -0.474 1.00 . A A . 5 MET H 1 1 59 4414 1 1 5 MET HA H -0.389 -5.077 0.842 1.00 . A A . 5 MET HA 1 1 59 4415 1 1 5 MET HB2 H -2.310 -4.053 -1.249 1.00 . A A . 5 MET HB2 1 1 59 4416 1 1 5 MET HB3 H -2.641 -5.210 0.032 1.00 . A A . 5 MET HB3 1 1 59 4417 1 1 5 MET HE1 H -4.685 -1.232 -1.491 1.00 . A A . 5 MET HE1 1 1 59 4418 1 1 5 MET HE2 H -2.966 -1.277 -1.097 1.00 . A A . 5 MET HE2 1 1 59 4419 1 1 5 MET HE3 H -4.078 -0.346 -0.093 1.00 . A A . 5 MET HE3 1 1 59 4420 1 1 5 MET HG2 H -2.470 -3.514 1.701 1.00 . A A . 5 MET HG2 1 1 59 4421 1 1 5 MET HG3 H -1.889 -2.342 0.521 1.00 . A A . 5 MET HG3 1 1 59 4422 1 1 5 MET N N 0.193 -3.403 -0.217 1.00 . A A . 5 MET N 1 1 59 4423 1 1 5 MET O O 0.969 -5.536 -1.686 1.00 . A A . 5 MET O 1 1 59 4424 1 1 5 MET OXT O -1.026 -6.459 -1.589 1.00 . A A . 5 MET OXT 1 1 59 4425 1 1 5 MET SD S -4.238 -2.680 0.345 1.00 . A A . 5 MET SD 1 1 60 4426 1 1 1 TYR C C 1.282 3.903 -2.298 1.00 . A A . 1 TYR C 1 1 60 4427 1 1 1 TYR CA C 1.889 4.342 -0.969 1.00 . A A . 1 TYR CA 1 1 60 4428 1 1 1 TYR CB C 0.875 5.169 -0.178 1.00 . A A . 1 TYR CB 1 1 60 4429 1 1 1 TYR CD1 C 0.497 4.109 2.083 1.00 . A A . 1 TYR CD1 1 1 60 4430 1 1 1 TYR CD2 C -1.173 3.818 0.408 1.00 . A A . 1 TYR CD2 1 1 60 4431 1 1 1 TYR CE1 C -0.254 3.360 2.968 1.00 . A A . 1 TYR CE1 1 1 60 4432 1 1 1 TYR CE2 C -1.931 3.068 1.287 1.00 . A A . 1 TYR CE2 1 1 60 4433 1 1 1 TYR CG C 0.050 4.351 0.789 1.00 . A A . 1 TYR CG 1 1 60 4434 1 1 1 TYR CZ C -1.466 2.842 2.565 1.00 . A A . 1 TYR CZ 1 1 60 4435 1 1 1 TYR H1 H 2.905 5.848 -1.933 1.00 . A A . 1 TYR H1 1 1 60 4436 1 1 1 TYR H2 H 3.880 4.519 -1.456 1.00 . A A . 1 TYR H2 1 1 60 4437 1 1 1 TYR H3 H 3.327 5.645 -0.285 1.00 . A A . 1 TYR H3 1 1 60 4438 1 1 1 TYR HA H 2.157 3.466 -0.398 1.00 . A A . 1 TYR HA 1 1 60 4439 1 1 1 TYR HB2 H 1.399 5.923 0.388 1.00 . A A . 1 TYR HB2 1 1 60 4440 1 1 1 TYR HB3 H 0.197 5.648 -0.869 1.00 . A A . 1 TYR HB3 1 1 60 4441 1 1 1 TYR HD1 H 1.447 4.518 2.394 1.00 . A A . 1 TYR HD1 1 1 60 4442 1 1 1 TYR HD2 H -1.535 3.997 -0.595 1.00 . A A . 1 TYR HD2 1 1 60 4443 1 1 1 TYR HE1 H 0.110 3.183 3.969 1.00 . A A . 1 TYR HE1 1 1 60 4444 1 1 1 TYR HE2 H -2.879 2.661 0.969 1.00 . A A . 1 TYR HE2 1 1 60 4445 1 1 1 TYR HH H -2.747 2.680 3.991 1.00 . A A . 1 TYR HH 1 1 60 4446 1 1 1 TYR N N 3.111 5.162 -1.180 1.00 . A A . 1 TYR N 1 1 60 4447 1 1 1 TYR O O 1.670 4.388 -3.360 1.00 . A A . 1 TYR O 1 1 60 4448 1 1 1 TYR OH O -2.217 2.094 3.444 1.00 . A A . 1 TYR OH 1 1 60 4449 1 1 2 GLY C C 0.225 1.160 -3.896 1.00 . A A . 2 GLY C 1 1 60 4450 1 1 2 GLY CA C -0.326 2.495 -3.428 1.00 . A A . 2 GLY CA 1 1 60 4451 1 1 2 GLY H H 0.058 2.638 -1.352 1.00 . A A . 2 GLY H 1 1 60 4452 1 1 2 GLY HA2 H -1.382 2.385 -3.228 1.00 . A A . 2 GLY HA2 1 1 60 4453 1 1 2 GLY HA3 H -0.195 3.222 -4.216 1.00 . A A . 2 GLY HA3 1 1 60 4454 1 1 2 GLY N N 0.325 2.986 -2.227 1.00 . A A . 2 GLY N 1 1 60 4455 1 1 2 GLY O O -0.160 0.664 -4.956 1.00 . A A . 2 GLY O 1 1 60 4456 1 1 3 GLY C C 2.233 -1.473 -2.281 1.00 . A A . 3 GLY C 1 1 60 4457 1 1 3 GLY CA C 1.702 -0.706 -3.476 1.00 . A A . 3 GLY CA 1 1 60 4458 1 1 3 GLY H H 1.394 1.011 -2.275 1.00 . A A . 3 GLY H 1 1 60 4459 1 1 3 GLY HA2 H 0.945 -1.304 -3.960 1.00 . A A . 3 GLY HA2 1 1 60 4460 1 1 3 GLY HA3 H 2.512 -0.537 -4.170 1.00 . A A . 3 GLY HA3 1 1 60 4461 1 1 3 GLY N N 1.124 0.573 -3.109 1.00 . A A . 3 GLY N 1 1 60 4462 1 1 3 GLY O O 3.110 -2.325 -2.420 1.00 . A A . 3 GLY O 1 1 60 4463 1 1 4 PHE C C 1.490 -3.235 0.199 1.00 . A A . 4 PHE C 1 1 60 4464 1 1 4 PHE CA C 2.112 -1.848 0.119 1.00 . A A . 4 PHE CA 1 1 60 4465 1 1 4 PHE CB C 1.704 -1.023 1.341 1.00 . A A . 4 PHE CB 1 1 60 4466 1 1 4 PHE CD1 C -0.539 -0.012 0.834 1.00 . A A . 4 PHE CD1 1 1 60 4467 1 1 4 PHE CD2 C -0.424 -1.766 2.446 1.00 . A A . 4 PHE CD2 1 1 60 4468 1 1 4 PHE CE1 C -1.904 0.072 1.019 1.00 . A A . 4 PHE CE1 1 1 60 4469 1 1 4 PHE CE2 C -1.790 -1.685 2.637 1.00 . A A . 4 PHE CE2 1 1 60 4470 1 1 4 PHE CG C 0.217 -0.932 1.544 1.00 . A A . 4 PHE CG 1 1 60 4471 1 1 4 PHE CZ C -2.532 -0.764 1.922 1.00 . A A . 4 PHE CZ 1 1 60 4472 1 1 4 PHE H H 0.995 -0.493 -1.058 1.00 . A A . 4 PHE H 1 1 60 4473 1 1 4 PHE HA H 3.186 -1.944 0.099 1.00 . A A . 4 PHE HA 1 1 60 4474 1 1 4 PHE HB2 H 2.129 -1.473 2.225 1.00 . A A . 4 PHE HB2 1 1 60 4475 1 1 4 PHE HB3 H 2.087 -0.021 1.233 1.00 . A A . 4 PHE HB3 1 1 60 4476 1 1 4 PHE HD1 H -0.049 0.643 0.129 1.00 . A A . 4 PHE HD1 1 1 60 4477 1 1 4 PHE HD2 H 0.154 -2.486 3.006 1.00 . A A . 4 PHE HD2 1 1 60 4478 1 1 4 PHE HE1 H -2.483 0.792 0.458 1.00 . A A . 4 PHE HE1 1 1 60 4479 1 1 4 PHE HE2 H -2.278 -2.341 3.343 1.00 . A A . 4 PHE HE2 1 1 60 4480 1 1 4 PHE HZ H -3.600 -0.700 2.069 1.00 . A A . 4 PHE HZ 1 1 60 4481 1 1 4 PHE N N 1.694 -1.175 -1.104 1.00 . A A . 4 PHE N 1 1 60 4482 1 1 4 PHE O O 2.146 -4.206 0.577 1.00 . A A . 4 PHE O 1 1 60 4483 1 1 5 MET C C -0.425 -5.275 -1.491 1.00 . A A . 5 MET C 1 1 60 4484 1 1 5 MET CA C -0.515 -4.570 -0.141 1.00 . A A . 5 MET CA 1 1 60 4485 1 1 5 MET CB C -1.982 -4.325 0.222 1.00 . A A . 5 MET CB 1 1 60 4486 1 1 5 MET CE C -4.852 -1.629 0.005 1.00 . A A . 5 MET CE 1 1 60 4487 1 1 5 MET CG C -2.614 -3.171 -0.541 1.00 . A A . 5 MET CG 1 1 60 4488 1 1 5 MET H H -0.240 -2.493 -0.454 1.00 . A A . 5 MET H 1 1 60 4489 1 1 5 MET HA H -0.069 -5.201 0.612 1.00 . A A . 5 MET HA 1 1 60 4490 1 1 5 MET HB2 H -2.548 -5.219 0.009 1.00 . A A . 5 MET HB2 1 1 60 4491 1 1 5 MET HB3 H -2.049 -4.110 1.278 1.00 . A A . 5 MET HB3 1 1 60 4492 1 1 5 MET HE1 H -5.064 -1.669 1.064 1.00 . A A . 5 MET HE1 1 1 60 4493 1 1 5 MET HE2 H -5.728 -1.281 -0.524 1.00 . A A . 5 MET HE2 1 1 60 4494 1 1 5 MET HE3 H -4.031 -0.951 -0.173 1.00 . A A . 5 MET HE3 1 1 60 4495 1 1 5 MET HG2 H -2.328 -2.242 -0.067 1.00 . A A . 5 MET HG2 1 1 60 4496 1 1 5 MET HG3 H -2.246 -3.182 -1.556 1.00 . A A . 5 MET HG3 1 1 60 4497 1 1 5 MET N N 0.218 -3.310 -0.163 1.00 . A A . 5 MET N 1 1 60 4498 1 1 5 MET O O -0.605 -6.511 -1.525 1.00 . A A . 5 MET O 1 1 60 4499 1 1 5 MET OXT O -0.175 -4.586 -2.501 1.00 . A A . 5 MET OXT 1 1 60 4500 1 1 5 MET SD S -4.415 -3.265 -0.577 1.00 . A A . 5 MET SD 1 1 61 4501 1 1 1 TYR C C 1.793 3.398 -1.408 1.00 . A A . 1 TYR C 1 1 61 4502 1 1 1 TYR CA C 1.762 3.517 0.112 1.00 . A A . 1 TYR CA 1 1 61 4503 1 1 1 TYR CB C 0.779 4.612 0.532 1.00 . A A . 1 TYR CB 1 1 61 4504 1 1 1 TYR CD1 C -0.958 3.629 2.080 1.00 . A A . 1 TYR CD1 1 1 61 4505 1 1 1 TYR CD2 C -1.592 4.100 -0.168 1.00 . A A . 1 TYR CD2 1 1 61 4506 1 1 1 TYR CE1 C -2.234 3.167 2.347 1.00 . A A . 1 TYR CE1 1 1 61 4507 1 1 1 TYR CE2 C -2.869 3.639 0.090 1.00 . A A . 1 TYR CE2 1 1 61 4508 1 1 1 TYR CG C -0.616 4.102 0.820 1.00 . A A . 1 TYR CG 1 1 61 4509 1 1 1 TYR CZ C -3.185 3.175 1.349 1.00 . A A . 1 TYR CZ 1 1 61 4510 1 1 1 TYR H1 H 3.316 4.836 0.388 1.00 . A A . 1 TYR H1 1 1 61 4511 1 1 1 TYR H2 H 3.790 3.194 0.228 1.00 . A A . 1 TYR H2 1 1 61 4512 1 1 1 TYR H3 H 3.068 3.742 1.685 1.00 . A A . 1 TYR H3 1 1 61 4513 1 1 1 TYR HA H 1.447 2.575 0.533 1.00 . A A . 1 TYR HA 1 1 61 4514 1 1 1 TYR HB2 H 1.147 5.091 1.426 1.00 . A A . 1 TYR HB2 1 1 61 4515 1 1 1 TYR HB3 H 0.709 5.343 -0.260 1.00 . A A . 1 TYR HB3 1 1 61 4516 1 1 1 TYR HD1 H -0.211 3.624 2.860 1.00 . A A . 1 TYR HD1 1 1 61 4517 1 1 1 TYR HD2 H -1.342 4.461 -1.155 1.00 . A A . 1 TYR HD2 1 1 61 4518 1 1 1 TYR HE1 H -2.481 2.803 3.334 1.00 . A A . 1 TYR HE1 1 1 61 4519 1 1 1 TYR HE2 H -3.614 3.644 -0.692 1.00 . A A . 1 TYR HE2 1 1 61 4520 1 1 1 TYR HH H -5.098 3.299 1.199 1.00 . A A . 1 TYR HH 1 1 61 4521 1 1 1 TYR N N 3.105 3.852 0.652 1.00 . A A . 1 TYR N 1 1 61 4522 1 1 1 TYR O O 2.779 3.759 -2.050 1.00 . A A . 1 TYR O 1 1 61 4523 1 1 1 TYR OH O -4.456 2.717 1.612 1.00 . A A . 1 TYR OH 1 1 61 4524 1 1 2 GLY C C 1.139 1.394 -3.891 1.00 . A A . 2 GLY C 1 1 61 4525 1 1 2 GLY CA C 0.620 2.738 -3.415 1.00 . A A . 2 GLY CA 1 1 61 4526 1 1 2 GLY H H -0.051 2.625 -1.412 1.00 . A A . 2 GLY H 1 1 61 4527 1 1 2 GLY HA2 H -0.412 2.838 -3.716 1.00 . A A . 2 GLY HA2 1 1 61 4528 1 1 2 GLY HA3 H 1.198 3.520 -3.884 1.00 . A A . 2 GLY HA3 1 1 61 4529 1 1 2 GLY N N 0.704 2.893 -1.976 1.00 . A A . 2 GLY N 1 1 61 4530 1 1 2 GLY O O 2.089 1.328 -4.671 1.00 . A A . 2 GLY O 1 1 61 4531 1 1 3 GLY C C 1.805 -1.680 -2.775 1.00 . A A . 3 GLY C 1 1 61 4532 1 1 3 GLY CA C 0.928 -1.014 -3.813 1.00 . A A . 3 GLY CA 1 1 61 4533 1 1 3 GLY H H -0.238 0.436 -2.801 1.00 . A A . 3 GLY H 1 1 61 4534 1 1 3 GLY HA2 H 0.046 -1.621 -3.961 1.00 . A A . 3 GLY HA2 1 1 61 4535 1 1 3 GLY HA3 H 1.470 -0.952 -4.743 1.00 . A A . 3 GLY HA3 1 1 61 4536 1 1 3 GLY N N 0.513 0.321 -3.419 1.00 . A A . 3 GLY N 1 1 61 4537 1 1 3 GLY O O 2.800 -2.324 -3.110 1.00 . A A . 3 GLY O 1 1 61 4538 1 1 4 PHE C C 1.516 -3.429 0.024 1.00 . A A . 4 PHE C 1 1 61 4539 1 1 4 PHE CA C 2.172 -2.129 -0.414 1.00 . A A . 4 PHE CA 1 1 61 4540 1 1 4 PHE CB C 2.237 -1.164 0.770 1.00 . A A . 4 PHE CB 1 1 61 4541 1 1 4 PHE CD1 C 0.286 0.398 0.561 1.00 . A A . 4 PHE CD1 1 1 61 4542 1 1 4 PHE CD2 C 0.227 -1.264 2.269 1.00 . A A . 4 PHE CD2 1 1 61 4543 1 1 4 PHE CE1 C -0.953 0.857 0.959 1.00 . A A . 4 PHE CE1 1 1 61 4544 1 1 4 PHE CE2 C -1.014 -0.809 2.673 1.00 . A A . 4 PHE CE2 1 1 61 4545 1 1 4 PHE CG C 0.889 -0.666 1.209 1.00 . A A . 4 PHE CG 1 1 61 4546 1 1 4 PHE CZ C -1.605 0.254 2.017 1.00 . A A . 4 PHE CZ 1 1 61 4547 1 1 4 PHE H H 0.619 -1.013 -1.318 1.00 . A A . 4 PHE H 1 1 61 4548 1 1 4 PHE HA H 3.173 -2.336 -0.759 1.00 . A A . 4 PHE HA 1 1 61 4549 1 1 4 PHE HB2 H 2.692 -1.666 1.607 1.00 . A A . 4 PHE HB2 1 1 61 4550 1 1 4 PHE HB3 H 2.836 -0.309 0.496 1.00 . A A . 4 PHE HB3 1 1 61 4551 1 1 4 PHE HD1 H 0.794 0.871 -0.267 1.00 . A A . 4 PHE HD1 1 1 61 4552 1 1 4 PHE HD2 H 0.688 -2.094 2.782 1.00 . A A . 4 PHE HD2 1 1 61 4553 1 1 4 PHE HE1 H -1.412 1.686 0.443 1.00 . A A . 4 PHE HE1 1 1 61 4554 1 1 4 PHE HE2 H -1.520 -1.283 3.500 1.00 . A A . 4 PHE HE2 1 1 61 4555 1 1 4 PHE HZ H -2.574 0.611 2.330 1.00 . A A . 4 PHE HZ 1 1 61 4556 1 1 4 PHE N N 1.426 -1.533 -1.514 1.00 . A A . 4 PHE N 1 1 61 4557 1 1 4 PHE O O 2.191 -4.410 0.336 1.00 . A A . 4 PHE O 1 1 61 4558 1 1 5 MET C C -0.991 -5.417 -0.768 1.00 . A A . 5 MET C 1 1 61 4559 1 1 5 MET CA C -0.582 -4.588 0.445 1.00 . A A . 5 MET CA 1 1 61 4560 1 1 5 MET CB C -1.821 -4.161 1.238 1.00 . A A . 5 MET CB 1 1 61 4561 1 1 5 MET CE C -3.738 -1.515 -1.369 1.00 . A A . 5 MET CE 1 1 61 4562 1 1 5 MET CG C -2.531 -2.930 0.685 1.00 . A A . 5 MET CG 1 1 61 4563 1 1 5 MET H H -0.280 -2.602 -0.214 1.00 . A A . 5 MET H 1 1 61 4564 1 1 5 MET HA H 0.046 -5.194 1.081 1.00 . A A . 5 MET HA 1 1 61 4565 1 1 5 MET HB2 H -2.525 -4.977 1.249 1.00 . A A . 5 MET HB2 1 1 61 4566 1 1 5 MET HB3 H -1.520 -3.945 2.251 1.00 . A A . 5 MET HB3 1 1 61 4567 1 1 5 MET HE1 H -2.917 -0.890 -1.689 1.00 . A A . 5 MET HE1 1 1 61 4568 1 1 5 MET HE2 H -4.189 -1.090 -0.484 1.00 . A A . 5 MET HE2 1 1 61 4569 1 1 5 MET HE3 H -4.474 -1.571 -2.157 1.00 . A A . 5 MET HE3 1 1 61 4570 1 1 5 MET HG2 H -3.375 -2.705 1.320 1.00 . A A . 5 MET HG2 1 1 61 4571 1 1 5 MET HG3 H -1.843 -2.097 0.699 1.00 . A A . 5 MET HG3 1 1 61 4572 1 1 5 MET N N 0.190 -3.420 0.045 1.00 . A A . 5 MET N 1 1 61 4573 1 1 5 MET O O -0.411 -5.203 -1.853 1.00 . A A . 5 MET O 1 1 61 4574 1 1 5 MET OXT O -1.888 -6.273 -0.623 1.00 . A A . 5 MET OXT 1 1 61 4575 1 1 5 MET SD S -3.130 -3.158 -1.000 1.00 . A A . 5 MET SD 1 1 62 4576 1 1 1 TYR C C 1.467 3.490 -1.778 1.00 . A A . 1 TYR C 1 1 62 4577 1 1 1 TYR CA C 1.824 3.829 -0.335 1.00 . A A . 1 TYR CA 1 1 62 4578 1 1 1 TYR CB C 0.811 4.822 0.237 1.00 . A A . 1 TYR CB 1 1 62 4579 1 1 1 TYR CD1 C -0.408 3.606 2.085 1.00 . A A . 1 TYR CD1 1 1 62 4580 1 1 1 TYR CD2 C -1.610 4.114 0.089 1.00 . A A . 1 TYR CD2 1 1 62 4581 1 1 1 TYR CE1 C -1.537 3.007 2.615 1.00 . A A . 1 TYR CE1 1 1 62 4582 1 1 1 TYR CE2 C -2.741 3.518 0.612 1.00 . A A . 1 TYR CE2 1 1 62 4583 1 1 1 TYR CG C -0.425 4.168 0.815 1.00 . A A . 1 TYR CG 1 1 62 4584 1 1 1 TYR CZ C -2.699 2.966 1.875 1.00 . A A . 1 TYR CZ 1 1 62 4585 1 1 1 TYR H1 H 3.270 4.871 0.693 1.00 . A A . 1 TYR H1 1 1 62 4586 1 1 1 TYR H2 H 3.267 5.134 -1.003 1.00 . A A . 1 TYR H2 1 1 62 4587 1 1 1 TYR H3 H 3.874 3.662 -0.363 1.00 . A A . 1 TYR H3 1 1 62 4588 1 1 1 TYR HA H 1.806 2.924 0.254 1.00 . A A . 1 TYR HA 1 1 62 4589 1 1 1 TYR HB2 H 1.280 5.393 1.023 1.00 . A A . 1 TYR HB2 1 1 62 4590 1 1 1 TYR HB3 H 0.494 5.493 -0.549 1.00 . A A . 1 TYR HB3 1 1 62 4591 1 1 1 TYR HD1 H 0.502 3.639 2.662 1.00 . A A . 1 TYR HD1 1 1 62 4592 1 1 1 TYR HD2 H -1.639 4.548 -0.901 1.00 . A A . 1 TYR HD2 1 1 62 4593 1 1 1 TYR HE1 H -1.503 2.575 3.603 1.00 . A A . 1 TYR HE1 1 1 62 4594 1 1 1 TYR HE2 H -3.650 3.485 0.031 1.00 . A A . 1 TYR HE2 1 1 62 4595 1 1 1 TYR HH H -4.598 2.889 2.168 1.00 . A A . 1 TYR HH 1 1 62 4596 1 1 1 TYR N N 3.181 4.428 -0.244 1.00 . A A . 1 TYR N 1 1 62 4597 1 1 1 TYR O O 2.201 3.830 -2.707 1.00 . A A . 1 TYR O 1 1 62 4598 1 1 1 TYR OH O -3.824 2.371 2.399 1.00 . A A . 1 TYR OH 1 1 62 4599 1 1 2 GLY C C 0.718 1.308 -3.867 1.00 . A A . 2 GLY C 1 1 62 4600 1 1 2 GLY CA C -0.104 2.441 -3.285 1.00 . A A . 2 GLY CA 1 1 62 4601 1 1 2 GLY H H -0.204 2.574 -1.177 1.00 . A A . 2 GLY H 1 1 62 4602 1 1 2 GLY HA2 H -1.137 2.133 -3.236 1.00 . A A . 2 GLY HA2 1 1 62 4603 1 1 2 GLY HA3 H -0.025 3.300 -3.937 1.00 . A A . 2 GLY HA3 1 1 62 4604 1 1 2 GLY N N 0.336 2.817 -1.956 1.00 . A A . 2 GLY N 1 1 62 4605 1 1 2 GLY O O 1.415 1.485 -4.866 1.00 . A A . 2 GLY O 1 1 62 4606 1 1 3 GLY C C 1.978 -1.836 -2.587 1.00 . A A . 3 GLY C 1 1 62 4607 1 1 3 GLY CA C 1.380 -1.011 -3.713 1.00 . A A . 3 GLY CA 1 1 62 4608 1 1 3 GLY H H 0.060 0.061 -2.448 1.00 . A A . 3 GLY H 1 1 62 4609 1 1 3 GLY HA2 H 0.715 -1.641 -4.283 1.00 . A A . 3 GLY HA2 1 1 62 4610 1 1 3 GLY HA3 H 2.177 -0.671 -4.358 1.00 . A A . 3 GLY HA3 1 1 62 4611 1 1 3 GLY N N 0.634 0.141 -3.239 1.00 . A A . 3 GLY N 1 1 62 4612 1 1 3 GLY O O 2.533 -2.907 -2.825 1.00 . A A . 3 GLY O 1 1 62 4613 1 1 4 PHE C C 1.562 -3.305 0.056 1.00 . A A . 4 PHE C 1 1 62 4614 1 1 4 PHE CA C 2.379 -2.048 -0.200 1.00 . A A . 4 PHE CA 1 1 62 4615 1 1 4 PHE CB C 2.330 -1.140 1.030 1.00 . A A . 4 PHE CB 1 1 62 4616 1 1 4 PHE CD1 C 0.078 -0.031 0.909 1.00 . A A . 4 PHE CD1 1 1 62 4617 1 1 4 PHE CD2 C 0.499 -1.550 2.700 1.00 . A A . 4 PHE CD2 1 1 62 4618 1 1 4 PHE CE1 C -1.199 0.188 1.390 1.00 . A A . 4 PHE CE1 1 1 62 4619 1 1 4 PHE CE2 C -0.777 -1.336 3.185 1.00 . A A . 4 PHE CE2 1 1 62 4620 1 1 4 PHE CG C 0.941 -0.901 1.557 1.00 . A A . 4 PHE CG 1 1 62 4621 1 1 4 PHE CZ C -1.627 -0.466 2.529 1.00 . A A . 4 PHE CZ 1 1 62 4622 1 1 4 PHE H H 1.400 -0.488 -1.230 1.00 . A A . 4 PHE H 1 1 62 4623 1 1 4 PHE HA H 3.403 -2.323 -0.402 1.00 . A A . 4 PHE HA 1 1 62 4624 1 1 4 PHE HB2 H 2.909 -1.589 1.820 1.00 . A A . 4 PHE HB2 1 1 62 4625 1 1 4 PHE HB3 H 2.755 -0.184 0.775 1.00 . A A . 4 PHE HB3 1 1 62 4626 1 1 4 PHE HD1 H 0.410 0.482 0.020 1.00 . A A . 4 PHE HD1 1 1 62 4627 1 1 4 PHE HD2 H 1.163 -2.230 3.212 1.00 . A A . 4 PHE HD2 1 1 62 4628 1 1 4 PHE HE1 H -1.861 0.866 0.874 1.00 . A A . 4 PHE HE1 1 1 62 4629 1 1 4 PHE HE2 H -1.109 -1.847 4.077 1.00 . A A . 4 PHE HE2 1 1 62 4630 1 1 4 PHE HZ H -2.624 -0.297 2.907 1.00 . A A . 4 PHE HZ 1 1 62 4631 1 1 4 PHE N N 1.856 -1.343 -1.360 1.00 . A A . 4 PHE N 1 1 62 4632 1 1 4 PHE O O 2.093 -4.349 0.434 1.00 . A A . 4 PHE O 1 1 62 4633 1 1 5 MET C C -0.701 -5.190 -1.198 1.00 . A A . 5 MET C 1 1 62 4634 1 1 5 MET CA C -0.661 -4.296 0.036 1.00 . A A . 5 MET CA 1 1 62 4635 1 1 5 MET CB C -2.066 -3.776 0.350 1.00 . A A . 5 MET CB 1 1 62 4636 1 1 5 MET CE C -4.477 -0.879 -1.406 1.00 . A A . 5 MET CE 1 1 62 4637 1 1 5 MET CG C -2.511 -2.633 -0.551 1.00 . A A . 5 MET CG 1 1 62 4638 1 1 5 MET H H -0.084 -2.317 -0.462 1.00 . A A . 5 MET H 1 1 62 4639 1 1 5 MET HA H -0.305 -4.876 0.874 1.00 . A A . 5 MET HA 1 1 62 4640 1 1 5 MET HB2 H -2.770 -4.588 0.239 1.00 . A A . 5 MET HB2 1 1 62 4641 1 1 5 MET HB3 H -2.088 -3.429 1.371 1.00 . A A . 5 MET HB3 1 1 62 4642 1 1 5 MET HE1 H -4.081 -0.140 -0.726 1.00 . A A . 5 MET HE1 1 1 62 4643 1 1 5 MET HE2 H -5.521 -0.675 -1.590 1.00 . A A . 5 MET HE2 1 1 62 4644 1 1 5 MET HE3 H -3.932 -0.839 -2.338 1.00 . A A . 5 MET HE3 1 1 62 4645 1 1 5 MET HG2 H -2.129 -1.707 -0.148 1.00 . A A . 5 MET HG2 1 1 62 4646 1 1 5 MET HG3 H -2.101 -2.792 -1.538 1.00 . A A . 5 MET HG3 1 1 62 4647 1 1 5 MET N N 0.262 -3.183 -0.160 1.00 . A A . 5 MET N 1 1 62 4648 1 1 5 MET O O 0.114 -6.134 -1.270 1.00 . A A . 5 MET O 1 1 62 4649 1 1 5 MET OXT O -1.547 -4.940 -2.083 1.00 . A A . 5 MET OXT 1 1 62 4650 1 1 5 MET SD S -4.305 -2.508 -0.682 1.00 . A A . 5 MET SD 1 1 63 4651 1 1 1 TYR C C 1.855 3.378 -1.237 1.00 . A A . 1 TYR C 1 1 63 4652 1 1 1 TYR CA C 1.749 3.474 0.282 1.00 . A A . 1 TYR CA 1 1 63 4653 1 1 1 TYR CB C 0.766 4.579 0.670 1.00 . A A . 1 TYR CB 1 1 63 4654 1 1 1 TYR CD1 C -1.063 3.604 2.115 1.00 . A A . 1 TYR CD1 1 1 63 4655 1 1 1 TYR CD2 C -1.577 4.120 -0.155 1.00 . A A . 1 TYR CD2 1 1 63 4656 1 1 1 TYR CE1 C -2.357 3.159 2.311 1.00 . A A . 1 TYR CE1 1 1 63 4657 1 1 1 TYR CE2 C -2.873 3.679 0.033 1.00 . A A . 1 TYR CE2 1 1 63 4658 1 1 1 TYR CG C -0.651 4.090 0.881 1.00 . A A . 1 TYR CG 1 1 63 4659 1 1 1 TYR CZ C -3.258 3.199 1.267 1.00 . A A . 1 TYR CZ 1 1 63 4660 1 1 1 TYR H1 H 3.378 4.706 0.539 1.00 . A A . 1 TYR H1 1 1 63 4661 1 1 1 TYR H2 H 3.732 3.028 0.607 1.00 . A A . 1 TYR H2 1 1 63 4662 1 1 1 TYR H3 H 2.945 3.796 1.925 1.00 . A A . 1 TYR H3 1 1 63 4663 1 1 1 TYR HA H 1.399 2.532 0.671 1.00 . A A . 1 TYR HA 1 1 63 4664 1 1 1 TYR HB2 H 1.096 5.039 1.589 1.00 . A A . 1 TYR HB2 1 1 63 4665 1 1 1 TYR HB3 H 0.747 5.323 -0.113 1.00 . A A . 1 TYR HB3 1 1 63 4666 1 1 1 TYR HD1 H -0.355 3.572 2.930 1.00 . A A . 1 TYR HD1 1 1 63 4667 1 1 1 TYR HD2 H -1.272 4.494 -1.121 1.00 . A A . 1 TYR HD2 1 1 63 4668 1 1 1 TYR HE1 H -2.658 2.783 3.277 1.00 . A A . 1 TYR HE1 1 1 63 4669 1 1 1 TYR HE2 H -3.577 3.709 -0.785 1.00 . A A . 1 TYR HE2 1 1 63 4670 1 1 1 TYR HH H -4.562 1.799 1.458 1.00 . A A . 1 TYR HH 1 1 63 4671 1 1 1 TYR N N 3.070 3.778 0.893 1.00 . A A . 1 TYR N 1 1 63 4672 1 1 1 TYR O O 2.876 3.732 -1.823 1.00 . A A . 1 TYR O 1 1 63 4673 1 1 1 TYR OH O -4.547 2.759 1.459 1.00 . A A . 1 TYR OH 1 1 63 4674 1 1 2 GLY C C 1.298 1.427 -3.782 1.00 . A A . 2 GLY C 1 1 63 4675 1 1 2 GLY CA C 0.772 2.769 -3.310 1.00 . A A . 2 GLY CA 1 1 63 4676 1 1 2 GLY H H 0.000 2.638 -1.344 1.00 . A A . 2 GLY H 1 1 63 4677 1 1 2 GLY HA2 H -0.243 2.887 -3.659 1.00 . A A . 2 GLY HA2 1 1 63 4678 1 1 2 GLY HA3 H 1.381 3.552 -3.737 1.00 . A A . 2 GLY HA3 1 1 63 4679 1 1 2 GLY N N 0.787 2.900 -1.866 1.00 . A A . 2 GLY N 1 1 63 4680 1 1 2 GLY O O 2.283 1.362 -4.518 1.00 . A A . 2 GLY O 1 1 63 4681 1 1 3 GLY C C 1.862 -1.679 -2.682 1.00 . A A . 3 GLY C 1 1 63 4682 1 1 3 GLY CA C 1.055 -0.978 -3.755 1.00 . A A . 3 GLY CA 1 1 63 4683 1 1 3 GLY H H -0.142 0.469 -2.777 1.00 . A A . 3 GLY H 1 1 63 4684 1 1 3 GLY HA2 H 0.175 -1.569 -3.964 1.00 . A A . 3 GLY HA2 1 1 63 4685 1 1 3 GLY HA3 H 1.652 -0.907 -4.652 1.00 . A A . 3 GLY HA3 1 1 63 4686 1 1 3 GLY N N 0.638 0.354 -3.360 1.00 . A A . 3 GLY N 1 1 63 4687 1 1 3 GLY O O 2.858 -2.340 -2.973 1.00 . A A . 3 GLY O 1 1 63 4688 1 1 4 PHE C C 1.388 -3.459 0.070 1.00 . A A . 4 PHE C 1 1 63 4689 1 1 4 PHE CA C 2.094 -2.167 -0.311 1.00 . A A . 4 PHE CA 1 1 63 4690 1 1 4 PHE CB C 2.113 -1.221 0.889 1.00 . A A . 4 PHE CB 1 1 63 4691 1 1 4 PHE CD1 C 0.200 0.375 0.608 1.00 . A A . 4 PHE CD1 1 1 63 4692 1 1 4 PHE CD2 C 0.030 -1.312 2.284 1.00 . A A . 4 PHE CD2 1 1 63 4693 1 1 4 PHE CE1 C -1.050 0.847 0.951 1.00 . A A . 4 PHE CE1 1 1 63 4694 1 1 4 PHE CE2 C -1.222 -0.843 2.632 1.00 . A A . 4 PHE CE2 1 1 63 4695 1 1 4 PHE CG C 0.754 -0.708 1.269 1.00 . A A . 4 PHE CG 1 1 63 4696 1 1 4 PHE CZ C -1.764 0.238 1.964 1.00 . A A . 4 PHE CZ 1 1 63 4697 1 1 4 PHE H H 0.616 -1.005 -1.279 1.00 . A A . 4 PHE H 1 1 63 4698 1 1 4 PHE HA H 3.108 -2.392 -0.605 1.00 . A A . 4 PHE HA 1 1 63 4699 1 1 4 PHE HB2 H 2.519 -1.744 1.741 1.00 . A A . 4 PHE HB2 1 1 63 4700 1 1 4 PHE HB3 H 2.739 -0.372 0.660 1.00 . A A . 4 PHE HB3 1 1 63 4701 1 1 4 PHE HD1 H 0.756 0.852 -0.185 1.00 . A A . 4 PHE HD1 1 1 63 4702 1 1 4 PHE HD2 H 0.452 -2.158 2.806 1.00 . A A . 4 PHE HD2 1 1 63 4703 1 1 4 PHE HE1 H -1.469 1.693 0.427 1.00 . A A . 4 PHE HE1 1 1 63 4704 1 1 4 PHE HE2 H -1.778 -1.321 3.426 1.00 . A A . 4 PHE HE2 1 1 63 4705 1 1 4 PHE HZ H -2.742 0.607 2.235 1.00 . A A . 4 PHE HZ 1 1 63 4706 1 1 4 PHE N N 1.422 -1.538 -1.440 1.00 . A A . 4 PHE N 1 1 63 4707 1 1 4 PHE O O 2.023 -4.459 0.404 1.00 . A A . 4 PHE O 1 1 63 4708 1 1 5 MET C C -1.027 -5.435 -0.876 1.00 . A A . 5 MET C 1 1 63 4709 1 1 5 MET CA C -0.755 -4.577 0.356 1.00 . A A . 5 MET CA 1 1 63 4710 1 1 5 MET CB C -2.076 -4.131 0.993 1.00 . A A . 5 MET CB 1 1 63 4711 1 1 5 MET CE C -2.488 -1.361 -1.938 1.00 . A A . 5 MET CE 1 1 63 4712 1 1 5 MET CG C -2.684 -2.877 0.374 1.00 . A A . 5 MET CG 1 1 63 4713 1 1 5 MET H H -0.374 -2.589 -0.254 1.00 . A A . 5 MET H 1 1 63 4714 1 1 5 MET HA H -0.205 -5.168 1.073 1.00 . A A . 5 MET HA 1 1 63 4715 1 1 5 MET HB2 H -2.793 -4.932 0.901 1.00 . A A . 5 MET HB2 1 1 63 4716 1 1 5 MET HB3 H -1.901 -3.936 2.039 1.00 . A A . 5 MET HB3 1 1 63 4717 1 1 5 MET HE1 H -1.483 -1.133 -1.615 1.00 . A A . 5 MET HE1 1 1 63 4718 1 1 5 MET HE2 H -3.175 -0.651 -1.502 1.00 . A A . 5 MET HE2 1 1 63 4719 1 1 5 MET HE3 H -2.543 -1.301 -3.014 1.00 . A A . 5 MET HE3 1 1 63 4720 1 1 5 MET HG2 H -3.643 -2.695 0.836 1.00 . A A . 5 MET HG2 1 1 63 4721 1 1 5 MET HG3 H -2.030 -2.041 0.571 1.00 . A A . 5 MET HG3 1 1 63 4722 1 1 5 MET N N 0.063 -3.421 0.018 1.00 . A A . 5 MET N 1 1 63 4723 1 1 5 MET O O -0.215 -5.383 -1.824 1.00 . A A . 5 MET O 1 1 63 4724 1 1 5 MET OXT O -2.049 -6.153 -0.882 1.00 . A A . 5 MET OXT 1 1 63 4725 1 1 5 MET SD S -2.924 -3.016 -1.408 1.00 . A A . 5 MET SD 1 1 64 4726 1 1 1 TYR C C 1.673 3.378 -1.702 1.00 . A A . 1 TYR C 1 1 64 4727 1 1 1 TYR CA C 1.932 3.559 -0.209 1.00 . A A . 1 TYR CA 1 1 64 4728 1 1 1 TYR CB C 1.110 4.731 0.329 1.00 . A A . 1 TYR CB 1 1 64 4729 1 1 1 TYR CD1 C -0.653 3.439 1.592 1.00 . A A . 1 TYR CD1 1 1 64 4730 1 1 1 TYR CD2 C -1.368 4.979 -0.081 1.00 . A A . 1 TYR CD2 1 1 64 4731 1 1 1 TYR CE1 C -1.969 3.111 1.858 1.00 . A A . 1 TYR CE1 1 1 64 4732 1 1 1 TYR CE2 C -2.686 4.657 0.179 1.00 . A A . 1 TYR CE2 1 1 64 4733 1 1 1 TYR CG C -0.330 4.377 0.621 1.00 . A A . 1 TYR CG 1 1 64 4734 1 1 1 TYR CZ C -2.982 3.722 1.149 1.00 . A A . 1 TYR CZ 1 1 64 4735 1 1 1 TYR H1 H 3.530 3.709 1.078 1.00 . A A . 1 TYR H1 1 1 64 4736 1 1 1 TYR H2 H 3.571 4.801 -0.244 1.00 . A A . 1 TYR H2 1 1 64 4737 1 1 1 TYR H3 H 3.928 3.141 -0.490 1.00 . A A . 1 TYR H3 1 1 64 4738 1 1 1 TYR HA H 1.648 2.657 0.310 1.00 . A A . 1 TYR HA 1 1 64 4739 1 1 1 TYR HB2 H 1.556 5.084 1.246 1.00 . A A . 1 TYR HB2 1 1 64 4740 1 1 1 TYR HB3 H 1.115 5.529 -0.399 1.00 . A A . 1 TYR HB3 1 1 64 4741 1 1 1 TYR HD1 H 0.142 2.962 2.147 1.00 . A A . 1 TYR HD1 1 1 64 4742 1 1 1 TYR HD2 H -1.133 5.710 -0.840 1.00 . A A . 1 TYR HD2 1 1 64 4743 1 1 1 TYR HE1 H -2.200 2.378 2.617 1.00 . A A . 1 TYR HE1 1 1 64 4744 1 1 1 TYR HE2 H -3.478 5.135 -0.377 1.00 . A A . 1 TYR HE2 1 1 64 4745 1 1 1 TYR HH H -4.792 3.392 0.591 1.00 . A A . 1 TYR HH 1 1 64 4746 1 1 1 TYR N N 3.370 3.826 0.058 1.00 . A A . 1 TYR N 1 1 64 4747 1 1 1 TYR O O 2.578 3.531 -2.523 1.00 . A A . 1 TYR O 1 1 64 4748 1 1 1 TYR OH O -4.293 3.398 1.411 1.00 . A A . 1 TYR OH 1 1 64 4749 1 1 2 GLY C C 0.681 1.590 -4.017 1.00 . A A . 2 GLY C 1 1 64 4750 1 1 2 GLY CA C 0.073 2.851 -3.436 1.00 . A A . 2 GLY CA 1 1 64 4751 1 1 2 GLY H H -0.246 2.941 -1.346 1.00 . A A . 2 GLY H 1 1 64 4752 1 1 2 GLY HA2 H -1.004 2.786 -3.511 1.00 . A A . 2 GLY HA2 1 1 64 4753 1 1 2 GLY HA3 H 0.414 3.700 -4.009 1.00 . A A . 2 GLY HA3 1 1 64 4754 1 1 2 GLY N N 0.432 3.049 -2.045 1.00 . A A . 2 GLY N 1 1 64 4755 1 1 2 GLY O O 1.105 1.572 -5.172 1.00 . A A . 2 GLY O 1 1 64 4756 1 1 3 GLY C C 2.098 -1.413 -2.592 1.00 . A A . 3 GLY C 1 1 64 4757 1 1 3 GLY CA C 1.283 -0.726 -3.666 1.00 . A A . 3 GLY CA 1 1 64 4758 1 1 3 GLY H H 0.368 0.609 -2.302 1.00 . A A . 3 GLY H 1 1 64 4759 1 1 3 GLY HA2 H 0.474 -1.381 -3.957 1.00 . A A . 3 GLY HA2 1 1 64 4760 1 1 3 GLY HA3 H 1.914 -0.544 -4.523 1.00 . A A . 3 GLY HA3 1 1 64 4761 1 1 3 GLY N N 0.722 0.534 -3.213 1.00 . A A . 3 GLY N 1 1 64 4762 1 1 3 GLY O O 3.238 -1.815 -2.823 1.00 . A A . 3 GLY O 1 1 64 4763 1 1 4 PHE C C 1.505 -3.530 0.008 1.00 . A A . 4 PHE C 1 1 64 4764 1 1 4 PHE CA C 2.159 -2.190 -0.287 1.00 . A A . 4 PHE CA 1 1 64 4765 1 1 4 PHE CB C 2.076 -1.294 0.947 1.00 . A A . 4 PHE CB 1 1 64 4766 1 1 4 PHE CD1 C -0.045 0.010 0.625 1.00 . A A . 4 PHE CD1 1 1 64 4767 1 1 4 PHE CD2 C 0.070 -1.538 2.435 1.00 . A A . 4 PHE CD2 1 1 64 4768 1 1 4 PHE CE1 C -1.335 0.343 0.987 1.00 . A A . 4 PHE CE1 1 1 64 4769 1 1 4 PHE CE2 C -1.220 -1.208 2.803 1.00 . A A . 4 PHE CE2 1 1 64 4770 1 1 4 PHE CG C 0.672 -0.933 1.344 1.00 . A A . 4 PHE CG 1 1 64 4771 1 1 4 PHE CZ C -1.924 -0.265 2.078 1.00 . A A . 4 PHE CZ 1 1 64 4772 1 1 4 PHE H H 0.594 -1.206 -1.305 1.00 . A A . 4 PHE H 1 1 64 4773 1 1 4 PHE HA H 3.195 -2.349 -0.544 1.00 . A A . 4 PHE HA 1 1 64 4774 1 1 4 PHE HB2 H 2.533 -1.801 1.779 1.00 . A A . 4 PHE HB2 1 1 64 4775 1 1 4 PHE HB3 H 2.611 -0.378 0.750 1.00 . A A . 4 PHE HB3 1 1 64 4776 1 1 4 PHE HD1 H 0.414 0.487 -0.227 1.00 . A A . 4 PHE HD1 1 1 64 4777 1 1 4 PHE HD2 H 0.619 -2.275 3.003 1.00 . A A . 4 PHE HD2 1 1 64 4778 1 1 4 PHE HE1 H -1.883 1.080 0.417 1.00 . A A . 4 PHE HE1 1 1 64 4779 1 1 4 PHE HE2 H -1.679 -1.686 3.656 1.00 . A A . 4 PHE HE2 1 1 64 4780 1 1 4 PHE HZ H -2.933 -0.006 2.363 1.00 . A A . 4 PHE HZ 1 1 64 4781 1 1 4 PHE N N 1.503 -1.547 -1.416 1.00 . A A . 4 PHE N 1 1 64 4782 1 1 4 PHE O O 2.174 -4.507 0.341 1.00 . A A . 4 PHE O 1 1 64 4783 1 1 5 MET C C -0.292 -5.827 -0.933 1.00 . A A . 5 MET C 1 1 64 4784 1 1 5 MET CA C -0.586 -4.769 0.124 1.00 . A A . 5 MET CA 1 1 64 4785 1 1 5 MET CB C -2.083 -4.449 0.141 1.00 . A A . 5 MET CB 1 1 64 4786 1 1 5 MET CE C -4.470 -1.537 0.263 1.00 . A A . 5 MET CE 1 1 64 4787 1 1 5 MET CG C -2.444 -3.268 1.026 1.00 . A A . 5 MET CG 1 1 64 4788 1 1 5 MET H H -0.278 -2.737 -0.393 1.00 . A A . 5 MET H 1 1 64 4789 1 1 5 MET HA H -0.299 -5.154 1.091 1.00 . A A . 5 MET HA 1 1 64 4790 1 1 5 MET HB2 H -2.402 -4.228 -0.867 1.00 . A A . 5 MET HB2 1 1 64 4791 1 1 5 MET HB3 H -2.621 -5.316 0.496 1.00 . A A . 5 MET HB3 1 1 64 4792 1 1 5 MET HE1 H -3.516 -1.063 0.090 1.00 . A A . 5 MET HE1 1 1 64 4793 1 1 5 MET HE2 H -5.107 -0.867 0.823 1.00 . A A . 5 MET HE2 1 1 64 4794 1 1 5 MET HE3 H -4.935 -1.768 -0.684 1.00 . A A . 5 MET HE3 1 1 64 4795 1 1 5 MET HG2 H -2.022 -3.427 2.006 1.00 . A A . 5 MET HG2 1 1 64 4796 1 1 5 MET HG3 H -2.024 -2.370 0.596 1.00 . A A . 5 MET HG3 1 1 64 4797 1 1 5 MET N N 0.186 -3.558 -0.122 1.00 . A A . 5 MET N 1 1 64 4798 1 1 5 MET O O 0.186 -6.919 -0.562 1.00 . A A . 5 MET O 1 1 64 4799 1 1 5 MET OXT O -0.543 -5.554 -2.127 1.00 . A A . 5 MET OXT 1 1 64 4800 1 1 5 MET SD S -4.226 -3.046 1.194 1.00 . A A . 5 MET SD 1 1 65 4801 1 1 1 TYR C C 0.828 3.481 -2.292 1.00 . A A . 1 TYR C 1 1 65 4802 1 1 1 TYR CA C 1.458 4.260 -1.142 1.00 . A A . 1 TYR CA 1 1 65 4803 1 1 1 TYR CB C 0.404 5.125 -0.448 1.00 . A A . 1 TYR CB 1 1 65 4804 1 1 1 TYR CD1 C -0.013 3.563 1.490 1.00 . A A . 1 TYR CD1 1 1 65 4805 1 1 1 TYR CD2 C -1.896 4.381 0.279 1.00 . A A . 1 TYR CD2 1 1 65 4806 1 1 1 TYR CE1 C -0.852 2.841 2.317 1.00 . A A . 1 TYR CE1 1 1 65 4807 1 1 1 TYR CE2 C -2.742 3.663 1.101 1.00 . A A . 1 TYR CE2 1 1 65 4808 1 1 1 TYR CG C -0.518 4.344 0.460 1.00 . A A . 1 TYR CG 1 1 65 4809 1 1 1 TYR CZ C -2.216 2.895 2.118 1.00 . A A . 1 TYR CZ 1 1 65 4810 1 1 1 TYR H1 H 2.854 5.741 -0.831 1.00 . A A . 1 TYR H1 1 1 65 4811 1 1 1 TYR H2 H 2.174 5.718 -2.407 1.00 . A A . 1 TYR H2 1 1 65 4812 1 1 1 TYR H3 H 3.330 4.535 -1.951 1.00 . A A . 1 TYR H3 1 1 65 4813 1 1 1 TYR HA H 1.871 3.563 -0.430 1.00 . A A . 1 TYR HA 1 1 65 4814 1 1 1 TYR HB2 H 0.897 5.876 0.149 1.00 . A A . 1 TYR HB2 1 1 65 4815 1 1 1 TYR HB3 H -0.203 5.610 -1.198 1.00 . A A . 1 TYR HB3 1 1 65 4816 1 1 1 TYR HD1 H 1.056 3.523 1.644 1.00 . A A . 1 TYR HD1 1 1 65 4817 1 1 1 TYR HD2 H -2.304 4.984 -0.517 1.00 . A A . 1 TYR HD2 1 1 65 4818 1 1 1 TYR HE1 H -0.439 2.239 3.111 1.00 . A A . 1 TYR HE1 1 1 65 4819 1 1 1 TYR HE2 H -3.809 3.704 0.944 1.00 . A A . 1 TYR HE2 1 1 65 4820 1 1 1 TYR HH H -3.847 2.691 3.117 1.00 . A A . 1 TYR HH 1 1 65 4821 1 1 1 TYR N N 2.552 5.143 -1.625 1.00 . A A . 1 TYR N 1 1 65 4822 1 1 1 TYR O O 1.201 3.654 -3.452 1.00 . A A . 1 TYR O 1 1 65 4823 1 1 1 TYR OH O -3.057 2.177 2.938 1.00 . A A . 1 TYR OH 1 1 65 4824 1 1 2 GLY C C 0.106 0.757 -3.561 1.00 . A A . 2 GLY C 1 1 65 4825 1 1 2 GLY CA C -0.797 1.824 -2.971 1.00 . A A . 2 GLY CA 1 1 65 4826 1 1 2 GLY H H -0.383 2.524 -1.021 1.00 . A A . 2 GLY H 1 1 65 4827 1 1 2 GLY HA2 H -1.658 1.346 -2.527 1.00 . A A . 2 GLY HA2 1 1 65 4828 1 1 2 GLY HA3 H -1.131 2.476 -3.765 1.00 . A A . 2 GLY HA3 1 1 65 4829 1 1 2 GLY N N -0.130 2.621 -1.960 1.00 . A A . 2 GLY N 1 1 65 4830 1 1 2 GLY O O -0.211 0.174 -4.597 1.00 . A A . 2 GLY O 1 1 65 4831 1 1 3 GLY C C 2.547 -1.526 -2.340 1.00 . A A . 3 GLY C 1 1 65 4832 1 1 3 GLY CA C 2.163 -0.504 -3.393 1.00 . A A . 3 GLY CA 1 1 65 4833 1 1 3 GLY H H 1.438 0.997 -2.083 1.00 . A A . 3 GLY H 1 1 65 4834 1 1 3 GLY HA2 H 1.705 -1.023 -4.220 1.00 . A A . 3 GLY HA2 1 1 65 4835 1 1 3 GLY HA3 H 3.057 -0.011 -3.742 1.00 . A A . 3 GLY HA3 1 1 65 4836 1 1 3 GLY N N 1.234 0.500 -2.903 1.00 . A A . 3 GLY N 1 1 65 4837 1 1 3 GLY O O 3.063 -2.594 -2.666 1.00 . A A . 3 GLY O 1 1 65 4838 1 1 4 PHE C C 1.682 -3.328 -0.036 1.00 . A A . 4 PHE C 1 1 65 4839 1 1 4 PHE CA C 2.604 -2.119 0.013 1.00 . A A . 4 PHE CA 1 1 65 4840 1 1 4 PHE CB C 2.458 -1.399 1.355 1.00 . A A . 4 PHE CB 1 1 65 4841 1 1 4 PHE CD1 C 0.164 -0.384 1.472 1.00 . A A . 4 PHE CD1 1 1 65 4842 1 1 4 PHE CD2 C 0.616 -2.316 2.795 1.00 . A A . 4 PHE CD2 1 1 65 4843 1 1 4 PHE CE1 C -1.129 -0.351 1.957 1.00 . A A . 4 PHE CE1 1 1 65 4844 1 1 4 PHE CE2 C -0.676 -2.287 3.284 1.00 . A A . 4 PHE CE2 1 1 65 4845 1 1 4 PHE CG C 1.050 -1.366 1.885 1.00 . A A . 4 PHE CG 1 1 65 4846 1 1 4 PHE CZ C -1.551 -1.303 2.864 1.00 . A A . 4 PHE CZ 1 1 65 4847 1 1 4 PHE H H 1.870 -0.349 -0.873 1.00 . A A . 4 PHE H 1 1 65 4848 1 1 4 PHE HA H 3.626 -2.447 -0.107 1.00 . A A . 4 PHE HA 1 1 65 4849 1 1 4 PHE HB2 H 3.074 -1.893 2.088 1.00 . A A . 4 PHE HB2 1 1 65 4850 1 1 4 PHE HB3 H 2.788 -0.380 1.238 1.00 . A A . 4 PHE HB3 1 1 65 4851 1 1 4 PHE HD1 H 0.492 0.361 0.761 1.00 . A A . 4 PHE HD1 1 1 65 4852 1 1 4 PHE HD2 H 1.298 -3.085 3.124 1.00 . A A . 4 PHE HD2 1 1 65 4853 1 1 4 PHE HE1 H -1.811 0.419 1.627 1.00 . A A . 4 PHE HE1 1 1 65 4854 1 1 4 PHE HE2 H -1.003 -3.034 3.993 1.00 . A A . 4 PHE HE2 1 1 65 4855 1 1 4 PHE HZ H -2.561 -1.279 3.244 1.00 . A A . 4 PHE HZ 1 1 65 4856 1 1 4 PHE N N 2.287 -1.209 -1.077 1.00 . A A . 4 PHE N 1 1 65 4857 1 1 4 PHE O O 2.077 -4.449 0.285 1.00 . A A . 4 PHE O 1 1 65 4858 1 1 5 MET C C -0.847 -4.453 -2.013 1.00 . A A . 5 MET C 1 1 65 4859 1 1 5 MET CA C -0.559 -4.121 -0.553 1.00 . A A . 5 MET CA 1 1 65 4860 1 1 5 MET CB C -1.850 -3.687 0.146 1.00 . A A . 5 MET CB 1 1 65 4861 1 1 5 MET CE C -3.998 -0.446 0.747 1.00 . A A . 5 MET CE 1 1 65 4862 1 1 5 MET CG C -2.467 -2.428 -0.441 1.00 . A A . 5 MET CG 1 1 65 4863 1 1 5 MET H H 0.214 -2.152 -0.686 1.00 . A A . 5 MET H 1 1 65 4864 1 1 5 MET HA H -0.175 -5.003 -0.065 1.00 . A A . 5 MET HA 1 1 65 4865 1 1 5 MET HB2 H -2.572 -4.486 0.068 1.00 . A A . 5 MET HB2 1 1 65 4866 1 1 5 MET HB3 H -1.636 -3.507 1.188 1.00 . A A . 5 MET HB3 1 1 65 4867 1 1 5 MET HE1 H -3.298 0.093 0.127 1.00 . A A . 5 MET HE1 1 1 65 4868 1 1 5 MET HE2 H -3.646 -0.450 1.767 1.00 . A A . 5 MET HE2 1 1 65 4869 1 1 5 MET HE3 H -4.964 0.034 0.701 1.00 . A A . 5 MET HE3 1 1 65 4870 1 1 5 MET HG2 H -1.851 -1.583 -0.172 1.00 . A A . 5 MET HG2 1 1 65 4871 1 1 5 MET HG3 H -2.497 -2.524 -1.516 1.00 . A A . 5 MET HG3 1 1 65 4872 1 1 5 MET N N 0.450 -3.074 -0.447 1.00 . A A . 5 MET N 1 1 65 4873 1 1 5 MET O O -1.074 -5.642 -2.316 1.00 . A A . 5 MET O 1 1 65 4874 1 1 5 MET OXT O -0.845 -3.518 -2.843 1.00 . A A . 5 MET OXT 1 1 65 4875 1 1 5 MET SD S -4.141 -2.133 0.160 1.00 . A A . 5 MET SD 1 1 66 4876 1 1 1 TYR C C 1.731 3.323 -1.605 1.00 . A A . 1 TYR C 1 1 66 4877 1 1 1 TYR CA C 1.920 3.522 -0.104 1.00 . A A . 1 TYR CA 1 1 66 4878 1 1 1 TYR CB C 1.081 4.705 0.381 1.00 . A A . 1 TYR CB 1 1 66 4879 1 1 1 TYR CD1 C -0.752 3.449 1.581 1.00 . A A . 1 TYR CD1 1 1 66 4880 1 1 1 TYR CD2 C -1.374 4.957 -0.156 1.00 . A A . 1 TYR CD2 1 1 66 4881 1 1 1 TYR CE1 C -2.082 3.133 1.789 1.00 . A A . 1 TYR CE1 1 1 66 4882 1 1 1 TYR CE2 C -2.705 4.648 0.046 1.00 . A A . 1 TYR CE2 1 1 66 4883 1 1 1 TYR CG C -0.376 4.364 0.608 1.00 . A A . 1 TYR CG 1 1 66 4884 1 1 1 TYR CZ C -3.054 3.735 1.019 1.00 . A A . 1 TYR CZ 1 1 66 4885 1 1 1 TYR H1 H 3.654 4.608 -0.330 1.00 . A A . 1 TYR H1 1 1 66 4886 1 1 1 TYR H2 H 3.891 2.936 -0.025 1.00 . A A . 1 TYR H2 1 1 66 4887 1 1 1 TYR H3 H 3.404 3.981 1.245 1.00 . A A . 1 TYR H3 1 1 66 4888 1 1 1 TYR HA H 1.607 2.626 0.412 1.00 . A A . 1 TYR HA 1 1 66 4889 1 1 1 TYR HB2 H 1.484 5.065 1.316 1.00 . A A . 1 TYR HB2 1 1 66 4890 1 1 1 TYR HB3 H 1.126 5.494 -0.354 1.00 . A A . 1 TYR HB3 1 1 66 4891 1 1 1 TYR HD1 H 0.011 2.979 2.184 1.00 . A A . 1 TYR HD1 1 1 66 4892 1 1 1 TYR HD2 H -1.098 5.671 -0.917 1.00 . A A . 1 TYR HD2 1 1 66 4893 1 1 1 TYR HE1 H -2.354 2.416 2.550 1.00 . A A . 1 TYR HE1 1 1 66 4894 1 1 1 TYR HE2 H -3.466 5.119 -0.559 1.00 . A A . 1 TYR HE2 1 1 66 4895 1 1 1 TYR HH H -4.673 2.811 0.546 1.00 . A A . 1 TYR HH 1 1 66 4896 1 1 1 TYR N N 3.346 3.785 0.226 1.00 . A A . 1 TYR N 1 1 66 4897 1 1 1 TYR O O 2.676 3.459 -2.384 1.00 . A A . 1 TYR O 1 1 66 4898 1 1 1 TYR OH O -4.379 3.425 1.223 1.00 . A A . 1 TYR OH 1 1 66 4899 1 1 2 GLY C C 0.850 1.523 -3.949 1.00 . A A . 2 GLY C 1 1 66 4900 1 1 2 GLY CA C 0.212 2.788 -3.409 1.00 . A A . 2 GLY CA 1 1 66 4901 1 1 2 GLY H H -0.206 2.905 -1.339 1.00 . A A . 2 GLY H 1 1 66 4902 1 1 2 GLY HA2 H -0.859 2.718 -3.534 1.00 . A A . 2 GLY HA2 1 1 66 4903 1 1 2 GLY HA3 H 0.577 3.633 -3.974 1.00 . A A . 2 GLY HA3 1 1 66 4904 1 1 2 GLY N N 0.505 3.000 -2.004 1.00 . A A . 2 GLY N 1 1 66 4905 1 1 2 GLY O O 1.551 1.556 -4.962 1.00 . A A . 2 GLY O 1 1 66 4906 1 1 3 GLY C C 2.056 -1.482 -2.643 1.00 . A A . 3 GLY C 1 1 66 4907 1 1 3 GLY CA C 1.168 -0.862 -3.699 1.00 . A A . 3 GLY CA 1 1 66 4908 1 1 3 GLY H H 0.041 0.446 -2.471 1.00 . A A . 3 GLY H 1 1 66 4909 1 1 3 GLY HA2 H 0.359 -1.545 -3.913 1.00 . A A . 3 GLY HA2 1 1 66 4910 1 1 3 GLY HA3 H 1.746 -0.706 -4.598 1.00 . A A . 3 GLY HA3 1 1 66 4911 1 1 3 GLY N N 0.608 0.408 -3.271 1.00 . A A . 3 GLY N 1 1 66 4912 1 1 3 GLY O O 3.192 -1.870 -2.918 1.00 . A A . 3 GLY O 1 1 66 4913 1 1 4 PHE C C 1.645 -3.493 0.074 1.00 . A A . 4 PHE C 1 1 66 4914 1 1 4 PHE CA C 2.254 -2.155 -0.313 1.00 . A A . 4 PHE CA 1 1 66 4915 1 1 4 PHE CB C 2.208 -1.206 0.882 1.00 . A A . 4 PHE CB 1 1 66 4916 1 1 4 PHE CD1 C 0.062 0.065 0.602 1.00 . A A . 4 PHE CD1 1 1 66 4917 1 1 4 PHE CD2 C 0.255 -1.442 2.441 1.00 . A A . 4 PHE CD2 1 1 66 4918 1 1 4 PHE CE1 C -1.221 0.390 0.997 1.00 . A A . 4 PHE CE1 1 1 66 4919 1 1 4 PHE CE2 C -1.029 -1.120 2.841 1.00 . A A . 4 PHE CE2 1 1 66 4920 1 1 4 PHE CG C 0.814 -0.854 1.317 1.00 . A A . 4 PHE CG 1 1 66 4921 1 1 4 PHE CZ C -1.767 -0.203 2.119 1.00 . A A . 4 PHE CZ 1 1 66 4922 1 1 4 PHE H H 0.617 -1.252 -1.289 1.00 . A A . 4 PHE H 1 1 66 4923 1 1 4 PHE HA H 3.280 -2.304 -0.614 1.00 . A A . 4 PHE HA 1 1 66 4924 1 1 4 PHE HB2 H 2.708 -1.668 1.717 1.00 . A A . 4 PHE HB2 1 1 66 4925 1 1 4 PHE HB3 H 2.716 -0.291 0.622 1.00 . A A . 4 PHE HB3 1 1 66 4926 1 1 4 PHE HD1 H 0.487 0.528 -0.275 1.00 . A A . 4 PHE HD1 1 1 66 4927 1 1 4 PHE HD2 H 0.831 -2.159 3.006 1.00 . A A . 4 PHE HD2 1 1 66 4928 1 1 4 PHE HE1 H -1.795 1.106 0.428 1.00 . A A . 4 PHE HE1 1 1 66 4929 1 1 4 PHE HE2 H -1.453 -1.586 3.719 1.00 . A A . 4 PHE HE2 1 1 66 4930 1 1 4 PHE HZ H -2.770 0.050 2.430 1.00 . A A . 4 PHE HZ 1 1 66 4931 1 1 4 PHE N N 1.527 -1.578 -1.433 1.00 . A A . 4 PHE N 1 1 66 4932 1 1 4 PHE O O 2.351 -4.443 0.412 1.00 . A A . 4 PHE O 1 1 66 4933 1 1 5 MET C C -0.744 -5.566 -0.881 1.00 . A A . 5 MET C 1 1 66 4934 1 1 5 MET CA C -0.413 -4.757 0.368 1.00 . A A . 5 MET CA 1 1 66 4935 1 1 5 MET CB C -1.698 -4.394 1.114 1.00 . A A . 5 MET CB 1 1 66 4936 1 1 5 MET CE C -4.864 -1.934 -0.012 1.00 . A A . 5 MET CE 1 1 66 4937 1 1 5 MET CG C -2.485 -3.270 0.460 1.00 . A A . 5 MET CG 1 1 66 4938 1 1 5 MET H H -0.172 -2.748 -0.253 1.00 . A A . 5 MET H 1 1 66 4939 1 1 5 MET HA H 0.213 -5.353 1.015 1.00 . A A . 5 MET HA 1 1 66 4940 1 1 5 MET HB2 H -2.331 -5.269 1.164 1.00 . A A . 5 MET HB2 1 1 66 4941 1 1 5 MET HB3 H -1.442 -4.089 2.117 1.00 . A A . 5 MET HB3 1 1 66 4942 1 1 5 MET HE1 H -4.473 -1.163 0.635 1.00 . A A . 5 MET HE1 1 1 66 4943 1 1 5 MET HE2 H -5.944 -1.921 0.025 1.00 . A A . 5 MET HE2 1 1 66 4944 1 1 5 MET HE3 H -4.535 -1.755 -1.025 1.00 . A A . 5 MET HE3 1 1 66 4945 1 1 5 MET HG2 H -2.251 -2.344 0.962 1.00 . A A . 5 MET HG2 1 1 66 4946 1 1 5 MET HG3 H -2.189 -3.200 -0.577 1.00 . A A . 5 MET HG3 1 1 66 4947 1 1 5 MET N N 0.323 -3.548 0.025 1.00 . A A . 5 MET N 1 1 66 4948 1 1 5 MET O O -0.332 -6.743 -0.949 1.00 . A A . 5 MET O 1 1 66 4949 1 1 5 MET OXT O -1.414 -5.016 -1.781 1.00 . A A . 5 MET OXT 1 1 66 4950 1 1 5 MET SD S -4.267 -3.532 0.535 1.00 . A A . 5 MET SD 1 1 67 4951 1 1 1 TYR C C 1.400 3.588 -1.963 1.00 . A A . 1 TYR C 1 1 67 4952 1 1 1 TYR CA C 1.788 3.943 -0.533 1.00 . A A . 1 TYR CA 1 1 67 4953 1 1 1 TYR CB C 0.782 4.934 0.056 1.00 . A A . 1 TYR CB 1 1 67 4954 1 1 1 TYR CD1 C -0.212 3.888 2.128 1.00 . A A . 1 TYR CD1 1 1 67 4955 1 1 1 TYR CD2 C -1.574 4.036 0.176 1.00 . A A . 1 TYR CD2 1 1 67 4956 1 1 1 TYR CE1 C -1.251 3.284 2.812 1.00 . A A . 1 TYR CE1 1 1 67 4957 1 1 1 TYR CE2 C -2.617 3.433 0.853 1.00 . A A . 1 TYR CE2 1 1 67 4958 1 1 1 TYR CG C -0.356 4.274 0.801 1.00 . A A . 1 TYR CG 1 1 67 4959 1 1 1 TYR CZ C -2.450 3.057 2.169 1.00 . A A . 1 TYR CZ 1 1 67 4960 1 1 1 TYR H1 H 3.274 4.949 0.474 1.00 . A A . 1 TYR H1 1 1 67 4961 1 1 1 TYR H2 H 3.182 5.298 -1.203 1.00 . A A . 1 TYR H2 1 1 67 4962 1 1 1 TYR H3 H 3.836 3.803 -0.670 1.00 . A A . 1 TYR H3 1 1 67 4963 1 1 1 TYR HA H 1.792 3.042 0.064 1.00 . A A . 1 TYR HA 1 1 67 4964 1 1 1 TYR HB2 H 1.294 5.588 0.746 1.00 . A A . 1 TYR HB2 1 1 67 4965 1 1 1 TYR HB3 H 0.358 5.523 -0.744 1.00 . A A . 1 TYR HB3 1 1 67 4966 1 1 1 TYR HD1 H 0.728 4.066 2.627 1.00 . A A . 1 TYR HD1 1 1 67 4967 1 1 1 TYR HD2 H -1.701 4.330 -0.855 1.00 . A A . 1 TYR HD2 1 1 67 4968 1 1 1 TYR HE1 H -1.120 2.991 3.843 1.00 . A A . 1 TYR HE1 1 1 67 4969 1 1 1 TYR HE2 H -3.555 3.254 0.350 1.00 . A A . 1 TYR HE2 1 1 67 4970 1 1 1 TYR HH H -3.649 1.587 2.477 1.00 . A A . 1 TYR HH 1 1 67 4971 1 1 1 TYR N N 3.142 4.553 -0.479 1.00 . A A . 1 TYR N 1 1 67 4972 1 1 1 TYR O O 2.084 3.964 -2.916 1.00 . A A . 1 TYR O 1 1 67 4973 1 1 1 TYR OH O -3.486 2.457 2.847 1.00 . A A . 1 TYR OH 1 1 67 4974 1 1 2 GLY C C 0.603 1.278 -3.974 1.00 . A A . 2 GLY C 1 1 67 4975 1 1 2 GLY CA C -0.164 2.464 -3.421 1.00 . A A . 2 GLY CA 1 1 67 4976 1 1 2 GLY H H -0.204 2.588 -1.310 1.00 . A A . 2 GLY H 1 1 67 4977 1 1 2 GLY HA2 H -1.211 2.203 -3.358 1.00 . A A . 2 GLY HA2 1 1 67 4978 1 1 2 GLY HA3 H -0.052 3.298 -4.098 1.00 . A A . 2 GLY HA3 1 1 67 4979 1 1 2 GLY N N 0.299 2.860 -2.106 1.00 . A A . 2 GLY N 1 1 67 4980 1 1 2 GLY O O 1.284 1.390 -4.993 1.00 . A A . 2 GLY O 1 1 67 4981 1 1 3 GLY C C 1.869 -1.804 -2.616 1.00 . A A . 3 GLY C 1 1 67 4982 1 1 3 GLY CA C 1.179 -1.060 -3.745 1.00 . A A . 3 GLY CA 1 1 67 4983 1 1 3 GLY H H -0.072 0.110 -2.497 1.00 . A A . 3 GLY H 1 1 67 4984 1 1 3 GLY HA2 H 0.461 -1.723 -4.201 1.00 . A A . 3 GLY HA2 1 1 67 4985 1 1 3 GLY HA3 H 1.918 -0.785 -4.483 1.00 . A A . 3 GLY HA3 1 1 67 4986 1 1 3 GLY N N 0.489 0.138 -3.300 1.00 . A A . 3 GLY N 1 1 67 4987 1 1 3 GLY O O 2.509 -2.831 -2.843 1.00 . A A . 3 GLY O 1 1 67 4988 1 1 4 PHE C C 1.639 -3.239 0.077 1.00 . A A . 4 PHE C 1 1 67 4989 1 1 4 PHE CA C 2.341 -1.926 -0.234 1.00 . A A . 4 PHE CA 1 1 67 4990 1 1 4 PHE CB C 2.244 -0.996 0.974 1.00 . A A . 4 PHE CB 1 1 67 4991 1 1 4 PHE CD1 C 0.008 0.141 0.840 1.00 . A A . 4 PHE CD1 1 1 67 4992 1 1 4 PHE CD2 C 0.340 -1.513 2.524 1.00 . A A . 4 PHE CD2 1 1 67 4993 1 1 4 PHE CE1 C -1.287 0.334 1.279 1.00 . A A . 4 PHE CE1 1 1 67 4994 1 1 4 PHE CE2 C -0.955 -1.326 2.968 1.00 . A A . 4 PHE CE2 1 1 67 4995 1 1 4 PHE CG C 0.836 -0.784 1.456 1.00 . A A . 4 PHE CG 1 1 67 4996 1 1 4 PHE CZ C -1.771 -0.401 2.345 1.00 . A A . 4 PHE CZ 1 1 67 4997 1 1 4 PHE H H 1.209 -0.479 -1.273 1.00 . A A . 4 PHE H 1 1 67 4998 1 1 4 PHE HA H 3.380 -2.120 -0.456 1.00 . A A . 4 PHE HA 1 1 67 4999 1 1 4 PHE HB2 H 2.812 -1.416 1.788 1.00 . A A . 4 PHE HB2 1 1 67 5000 1 1 4 PHE HB3 H 2.654 -0.034 0.711 1.00 . A A . 4 PHE HB3 1 1 67 5001 1 1 4 PHE HD1 H 0.383 0.717 0.007 1.00 . A A . 4 PHE HD1 1 1 67 5002 1 1 4 PHE HD2 H 0.975 -2.236 3.013 1.00 . A A . 4 PHE HD2 1 1 67 5003 1 1 4 PHE HE1 H -1.923 1.056 0.788 1.00 . A A . 4 PHE HE1 1 1 67 5004 1 1 4 PHE HE2 H -1.331 -1.901 3.802 1.00 . A A . 4 PHE HE2 1 1 67 5005 1 1 4 PHE HZ H -2.783 -0.252 2.689 1.00 . A A . 4 PHE HZ 1 1 67 5006 1 1 4 PHE N N 1.734 -1.295 -1.397 1.00 . A A . 4 PHE N 1 1 67 5007 1 1 4 PHE O O 2.270 -4.233 0.436 1.00 . A A . 4 PHE O 1 1 67 5008 1 1 5 MET C C -0.641 -5.254 -1.062 1.00 . A A . 5 MET C 1 1 67 5009 1 1 5 MET CA C -0.499 -4.399 0.193 1.00 . A A . 5 MET CA 1 1 67 5010 1 1 5 MET CB C -1.882 -3.981 0.699 1.00 . A A . 5 MET CB 1 1 67 5011 1 1 5 MET CE C -4.514 -1.844 -1.714 1.00 . A A . 5 MET CE 1 1 67 5012 1 1 5 MET CG C -2.502 -2.839 -0.091 1.00 . A A . 5 MET CG 1 1 67 5013 1 1 5 MET H H -0.108 -2.390 -0.358 1.00 . A A . 5 MET H 1 1 67 5014 1 1 5 MET HA H -0.008 -4.982 0.958 1.00 . A A . 5 MET HA 1 1 67 5015 1 1 5 MET HB2 H -2.545 -4.832 0.643 1.00 . A A . 5 MET HB2 1 1 67 5016 1 1 5 MET HB3 H -1.797 -3.671 1.730 1.00 . A A . 5 MET HB3 1 1 67 5017 1 1 5 MET HE1 H -5.554 -1.553 -1.698 1.00 . A A . 5 MET HE1 1 1 67 5018 1 1 5 MET HE2 H -4.259 -2.217 -2.696 1.00 . A A . 5 MET HE2 1 1 67 5019 1 1 5 MET HE3 H -3.896 -0.989 -1.483 1.00 . A A . 5 MET HE3 1 1 67 5020 1 1 5 MET HG2 H -2.433 -1.935 0.495 1.00 . A A . 5 MET HG2 1 1 67 5021 1 1 5 MET HG3 H -1.948 -2.713 -1.010 1.00 . A A . 5 MET HG3 1 1 67 5022 1 1 5 MET N N 0.322 -3.222 -0.068 1.00 . A A . 5 MET N 1 1 67 5023 1 1 5 MET O O -1.489 -4.917 -1.913 1.00 . A A . 5 MET O 1 1 67 5024 1 1 5 MET OXT O 0.098 -6.255 -1.182 1.00 . A A . 5 MET OXT 1 1 67 5025 1 1 5 MET SD S -4.234 -3.129 -0.497 1.00 . A A . 5 MET SD 1 1 68 5026 1 1 1 TYR C C 1.519 3.265 -1.609 1.00 . A A . 1 TYR C 1 1 68 5027 1 1 1 TYR CA C 1.666 3.461 -0.104 1.00 . A A . 1 TYR CA 1 1 68 5028 1 1 1 TYR CB C 0.691 4.535 0.381 1.00 . A A . 1 TYR CB 1 1 68 5029 1 1 1 TYR CD1 C -0.802 3.572 2.176 1.00 . A A . 1 TYR CD1 1 1 68 5030 1 1 1 TYR CD2 C -1.714 3.878 -0.005 1.00 . A A . 1 TYR CD2 1 1 68 5031 1 1 1 TYR CE1 C -2.012 3.069 2.616 1.00 . A A . 1 TYR CE1 1 1 68 5032 1 1 1 TYR CE2 C -2.927 3.377 0.427 1.00 . A A . 1 TYR CE2 1 1 68 5033 1 1 1 TYR CG C -0.633 3.984 0.860 1.00 . A A . 1 TYR CG 1 1 68 5034 1 1 1 TYR CZ C -3.071 2.974 1.738 1.00 . A A . 1 TYR CZ 1 1 68 5035 1 1 1 TYR H1 H 3.675 3.067 0.090 1.00 . A A . 1 TYR H1 1 1 68 5036 1 1 1 TYR H2 H 3.043 4.160 1.254 1.00 . A A . 1 TYR H2 1 1 68 5037 1 1 1 TYR H3 H 3.303 4.678 -0.362 1.00 . A A . 1 TYR H3 1 1 68 5038 1 1 1 TYR HA H 1.448 2.530 0.397 1.00 . A A . 1 TYR HA 1 1 68 5039 1 1 1 TYR HB2 H 1.141 5.076 1.200 1.00 . A A . 1 TYR HB2 1 1 68 5040 1 1 1 TYR HB3 H 0.492 5.220 -0.431 1.00 . A A . 1 TYR HB3 1 1 68 5041 1 1 1 TYR HD1 H 0.029 3.649 2.861 1.00 . A A . 1 TYR HD1 1 1 68 5042 1 1 1 TYR HD2 H -1.599 4.194 -1.031 1.00 . A A . 1 TYR HD2 1 1 68 5043 1 1 1 TYR HE1 H -2.124 2.754 3.643 1.00 . A A . 1 TYR HE1 1 1 68 5044 1 1 1 TYR HE2 H -3.755 3.302 -0.261 1.00 . A A . 1 TYR HE2 1 1 68 5045 1 1 1 TYR HH H -4.310 1.528 2.004 1.00 . A A . 1 TYR HH 1 1 68 5046 1 1 1 TYR N N 3.047 3.880 0.252 1.00 . A A . 1 TYR N 1 1 68 5047 1 1 1 TYR O O 2.401 3.635 -2.383 1.00 . A A . 1 TYR O 1 1 68 5048 1 1 1 TYR OH O -4.277 2.473 2.172 1.00 . A A . 1 TYR OH 1 1 68 5049 1 1 2 GLY C C 0.902 1.253 -3.968 1.00 . A A . 2 GLY C 1 1 68 5050 1 1 2 GLY CA C 0.148 2.452 -3.426 1.00 . A A . 2 GLY CA 1 1 68 5051 1 1 2 GLY H H -0.272 2.413 -1.353 1.00 . A A . 2 GLY H 1 1 68 5052 1 1 2 GLY HA2 H -0.910 2.291 -3.572 1.00 . A A . 2 GLY HA2 1 1 68 5053 1 1 2 GLY HA3 H 0.446 3.330 -3.980 1.00 . A A . 2 GLY HA3 1 1 68 5054 1 1 2 GLY N N 0.396 2.683 -2.016 1.00 . A A . 2 GLY N 1 1 68 5055 1 1 2 GLY O O 1.705 1.384 -4.892 1.00 . A A . 2 GLY O 1 1 68 5056 1 1 3 GLY C C 1.943 -1.918 -2.727 1.00 . A A . 3 GLY C 1 1 68 5057 1 1 3 GLY CA C 1.305 -1.128 -3.853 1.00 . A A . 3 GLY CA 1 1 68 5058 1 1 3 GLY H H -0.014 0.034 -2.670 1.00 . A A . 3 GLY H 1 1 68 5059 1 1 3 GLY HA2 H 0.578 -1.757 -4.344 1.00 . A A . 3 GLY HA2 1 1 68 5060 1 1 3 GLY HA3 H 2.070 -0.857 -4.565 1.00 . A A . 3 GLY HA3 1 1 68 5061 1 1 3 GLY N N 0.639 0.081 -3.399 1.00 . A A . 3 GLY N 1 1 68 5062 1 1 3 GLY O O 2.479 -3.004 -2.951 1.00 . A A . 3 GLY O 1 1 68 5063 1 1 4 PHE C C 1.630 -3.295 -0.015 1.00 . A A . 4 PHE C 1 1 68 5064 1 1 4 PHE CA C 2.448 -2.060 -0.355 1.00 . A A . 4 PHE CA 1 1 68 5065 1 1 4 PHE CB C 2.478 -1.114 0.845 1.00 . A A . 4 PHE CB 1 1 68 5066 1 1 4 PHE CD1 C 0.380 0.262 0.735 1.00 . A A . 4 PHE CD1 1 1 68 5067 1 1 4 PHE CD2 C 0.572 -1.374 2.459 1.00 . A A . 4 PHE CD2 1 1 68 5068 1 1 4 PHE CE1 C -0.872 0.614 1.205 1.00 . A A . 4 PHE CE1 1 1 68 5069 1 1 4 PHE CE2 C -0.678 -1.027 2.933 1.00 . A A . 4 PHE CE2 1 1 68 5070 1 1 4 PHE CG C 1.116 -0.735 1.356 1.00 . A A . 4 PHE CG 1 1 68 5071 1 1 4 PHE CZ C -1.401 -0.031 2.305 1.00 . A A . 4 PHE CZ 1 1 68 5072 1 1 4 PHE H H 1.434 -0.521 -1.391 1.00 . A A . 4 PHE H 1 1 68 5073 1 1 4 PHE HA H 3.456 -2.358 -0.599 1.00 . A A . 4 PHE HA 1 1 68 5074 1 1 4 PHE HB2 H 3.010 -1.590 1.651 1.00 . A A . 4 PHE HB2 1 1 68 5075 1 1 4 PHE HB3 H 2.990 -0.208 0.564 1.00 . A A . 4 PHE HB3 1 1 68 5076 1 1 4 PHE HD1 H 0.792 0.769 -0.125 1.00 . A A . 4 PHE HD1 1 1 68 5077 1 1 4 PHE HD2 H 1.138 -2.152 2.950 1.00 . A A . 4 PHE HD2 1 1 68 5078 1 1 4 PHE HE1 H -1.435 1.393 0.712 1.00 . A A . 4 PHE HE1 1 1 68 5079 1 1 4 PHE HE2 H -1.090 -1.535 3.793 1.00 . A A . 4 PHE HE2 1 1 68 5080 1 1 4 PHE HZ H -2.379 0.241 2.674 1.00 . A A . 4 PHE HZ 1 1 68 5081 1 1 4 PHE N N 1.879 -1.384 -1.514 1.00 . A A . 4 PHE N 1 1 68 5082 1 1 4 PHE O O 2.168 -4.333 0.370 1.00 . A A . 4 PHE O 1 1 68 5083 1 1 5 MET C C -0.773 -5.151 -1.103 1.00 . A A . 5 MET C 1 1 68 5084 1 1 5 MET CA C -0.604 -4.252 0.118 1.00 . A A . 5 MET CA 1 1 68 5085 1 1 5 MET CB C -1.963 -3.697 0.549 1.00 . A A . 5 MET CB 1 1 68 5086 1 1 5 MET CE C -4.355 -0.618 -0.883 1.00 . A A . 5 MET CE 1 1 68 5087 1 1 5 MET CG C -2.489 -2.596 -0.360 1.00 . A A . 5 MET CG 1 1 68 5088 1 1 5 MET H H -0.028 -2.300 -0.477 1.00 . A A . 5 MET H 1 1 68 5089 1 1 5 MET HA H -0.191 -4.835 0.926 1.00 . A A . 5 MET HA 1 1 68 5090 1 1 5 MET HB2 H -2.682 -4.503 0.554 1.00 . A A . 5 MET HB2 1 1 68 5091 1 1 5 MET HB3 H -1.876 -3.297 1.548 1.00 . A A . 5 MET HB3 1 1 68 5092 1 1 5 MET HE1 H -4.987 0.046 -0.312 1.00 . A A . 5 MET HE1 1 1 68 5093 1 1 5 MET HE2 H -4.787 -0.775 -1.860 1.00 . A A . 5 MET HE2 1 1 68 5094 1 1 5 MET HE3 H -3.374 -0.178 -0.991 1.00 . A A . 5 MET HE3 1 1 68 5095 1 1 5 MET HG2 H -1.890 -1.709 -0.211 1.00 . A A . 5 MET HG2 1 1 68 5096 1 1 5 MET HG3 H -2.399 -2.922 -1.386 1.00 . A A . 5 MET HG3 1 1 68 5097 1 1 5 MET N N 0.322 -3.161 -0.164 1.00 . A A . 5 MET N 1 1 68 5098 1 1 5 MET O O -0.820 -4.616 -2.230 1.00 . A A . 5 MET O 1 1 68 5099 1 1 5 MET OXT O -0.855 -6.384 -0.921 1.00 . A A . 5 MET OXT 1 1 68 5100 1 1 5 MET SD S -4.213 -2.188 -0.032 1.00 . A A . 5 MET SD 1 1 69 5101 1 1 1 TYR C C 1.369 3.463 -2.040 1.00 . A A . 1 TYR C 1 1 69 5102 1 1 1 TYR CA C 1.965 3.824 -0.684 1.00 . A A . 1 TYR CA 1 1 69 5103 1 1 1 TYR CB C 1.130 4.919 -0.016 1.00 . A A . 1 TYR CB 1 1 69 5104 1 1 1 TYR CD1 C -0.180 3.383 1.500 1.00 . A A . 1 TYR CD1 1 1 69 5105 1 1 1 TYR CD2 C -1.383 4.976 0.199 1.00 . A A . 1 TYR CD2 1 1 69 5106 1 1 1 TYR CE1 C -1.366 2.920 2.036 1.00 . A A . 1 TYR CE1 1 1 69 5107 1 1 1 TYR CE2 C -2.573 4.519 0.730 1.00 . A A . 1 TYR CE2 1 1 69 5108 1 1 1 TYR CG C -0.169 4.419 0.575 1.00 . A A . 1 TYR CG 1 1 69 5109 1 1 1 TYR CZ C -2.560 3.491 1.648 1.00 . A A . 1 TYR CZ 1 1 69 5110 1 1 1 TYR H1 H 3.865 3.657 -1.453 1.00 . A A . 1 TYR H1 1 1 69 5111 1 1 1 TYR H2 H 3.789 4.322 0.128 1.00 . A A . 1 TYR H2 1 1 69 5112 1 1 1 TYR H3 H 3.325 5.267 -1.228 1.00 . A A . 1 TYR H3 1 1 69 5113 1 1 1 TYR HA H 1.967 2.946 -0.054 1.00 . A A . 1 TYR HA 1 1 69 5114 1 1 1 TYR HB2 H 1.705 5.369 0.778 1.00 . A A . 1 TYR HB2 1 1 69 5115 1 1 1 TYR HB3 H 0.889 5.672 -0.752 1.00 . A A . 1 TYR HB3 1 1 69 5116 1 1 1 TYR HD1 H 0.757 2.940 1.803 1.00 . A A . 1 TYR HD1 1 1 69 5117 1 1 1 TYR HD2 H -1.392 5.782 -0.521 1.00 . A A . 1 TYR HD2 1 1 69 5118 1 1 1 TYR HE1 H -1.354 2.112 2.753 1.00 . A A . 1 TYR HE1 1 1 69 5119 1 1 1 TYR HE2 H -3.508 4.966 0.425 1.00 . A A . 1 TYR HE2 1 1 69 5120 1 1 1 TYR HH H -4.417 3.017 1.497 1.00 . A A . 1 TYR HH 1 1 69 5121 1 1 1 TYR N N 3.362 4.311 -0.822 1.00 . A A . 1 TYR N 1 1 69 5122 1 1 1 TYR O O 2.007 3.640 -3.078 1.00 . A A . 1 TYR O 1 1 69 5123 1 1 1 TYR OH O -3.743 3.031 2.180 1.00 . A A . 1 TYR OH 1 1 69 5124 1 1 2 GLY C C 0.031 1.303 -3.857 1.00 . A A . 2 GLY C 1 1 69 5125 1 1 2 GLY CA C -0.527 2.578 -3.254 1.00 . A A . 2 GLY CA 1 1 69 5126 1 1 2 GLY H H -0.317 2.840 -1.167 1.00 . A A . 2 GLY H 1 1 69 5127 1 1 2 GLY HA2 H -1.578 2.436 -3.047 1.00 . A A . 2 GLY HA2 1 1 69 5128 1 1 2 GLY HA3 H -0.419 3.380 -3.970 1.00 . A A . 2 GLY HA3 1 1 69 5129 1 1 2 GLY N N 0.140 2.957 -2.023 1.00 . A A . 2 GLY N 1 1 69 5130 1 1 2 GLY O O -0.283 0.961 -4.997 1.00 . A A . 2 GLY O 1 1 69 5131 1 1 3 GLY C C 2.202 -1.385 -2.504 1.00 . A A . 3 GLY C 1 1 69 5132 1 1 3 GLY CA C 1.440 -0.643 -3.580 1.00 . A A . 3 GLY CA 1 1 69 5133 1 1 3 GLY H H 1.072 0.912 -2.191 1.00 . A A . 3 GLY H 1 1 69 5134 1 1 3 GLY HA2 H 0.648 -1.280 -3.943 1.00 . A A . 3 GLY HA2 1 1 69 5135 1 1 3 GLY HA3 H 2.113 -0.418 -4.395 1.00 . A A . 3 GLY HA3 1 1 69 5136 1 1 3 GLY N N 0.857 0.594 -3.093 1.00 . A A . 3 GLY N 1 1 69 5137 1 1 3 GLY O O 3.202 -2.047 -2.780 1.00 . A A . 3 GLY O 1 1 69 5138 1 1 4 PHE C C 1.738 -3.325 0.058 1.00 . A A . 4 PHE C 1 1 69 5139 1 1 4 PHE CA C 2.346 -1.946 -0.141 1.00 . A A . 4 PHE CA 1 1 69 5140 1 1 4 PHE CB C 2.164 -1.114 1.129 1.00 . A A . 4 PHE CB 1 1 69 5141 1 1 4 PHE CD1 C -0.121 -0.080 0.988 1.00 . A A . 4 PHE CD1 1 1 69 5142 1 1 4 PHE CD2 C 0.243 -1.809 2.589 1.00 . A A . 4 PHE CD2 1 1 69 5143 1 1 4 PHE CE1 C -1.436 0.028 1.398 1.00 . A A . 4 PHE CE1 1 1 69 5144 1 1 4 PHE CE2 C -1.071 -1.705 3.005 1.00 . A A . 4 PHE CE2 1 1 69 5145 1 1 4 PHE CG C 0.733 -0.999 1.577 1.00 . A A . 4 PHE CG 1 1 69 5146 1 1 4 PHE CZ C -1.912 -0.785 2.408 1.00 . A A . 4 PHE CZ 1 1 69 5147 1 1 4 PHE H H 0.916 -0.741 -1.123 1.00 . A A . 4 PHE H 1 1 69 5148 1 1 4 PHE HA H 3.400 -2.050 -0.350 1.00 . A A . 4 PHE HA 1 1 69 5149 1 1 4 PHE HB2 H 2.723 -1.569 1.929 1.00 . A A . 4 PHE HB2 1 1 69 5150 1 1 4 PHE HB3 H 2.539 -0.119 0.953 1.00 . A A . 4 PHE HB3 1 1 69 5151 1 1 4 PHE HD1 H 0.250 0.557 0.198 1.00 . A A . 4 PHE HD1 1 1 69 5152 1 1 4 PHE HD2 H 0.900 -2.528 3.057 1.00 . A A . 4 PHE HD2 1 1 69 5153 1 1 4 PHE HE1 H -2.090 0.747 0.928 1.00 . A A . 4 PHE HE1 1 1 69 5154 1 1 4 PHE HE2 H -1.440 -2.342 3.794 1.00 . A A . 4 PHE HE2 1 1 69 5155 1 1 4 PHE HZ H -2.939 -0.703 2.731 1.00 . A A . 4 PHE HZ 1 1 69 5156 1 1 4 PHE N N 1.720 -1.279 -1.273 1.00 . A A . 4 PHE N 1 1 69 5157 1 1 4 PHE O O 2.435 -4.296 0.353 1.00 . A A . 4 PHE O 1 1 69 5158 1 1 5 MET C C -0.473 -5.350 -1.292 1.00 . A A . 5 MET C 1 1 69 5159 1 1 5 MET CA C -0.308 -4.643 0.050 1.00 . A A . 5 MET CA 1 1 69 5160 1 1 5 MET CB C -1.680 -4.376 0.672 1.00 . A A . 5 MET CB 1 1 69 5161 1 1 5 MET CE C -4.643 -1.586 0.360 1.00 . A A . 5 MET CE 1 1 69 5162 1 1 5 MET CG C -2.425 -3.216 0.031 1.00 . A A . 5 MET CG 1 1 69 5163 1 1 5 MET H H -0.062 -2.576 -0.342 1.00 . A A . 5 MET H 1 1 69 5164 1 1 5 MET HA H 0.260 -5.280 0.712 1.00 . A A . 5 MET HA 1 1 69 5165 1 1 5 MET HB2 H -2.287 -5.264 0.573 1.00 . A A . 5 MET HB2 1 1 69 5166 1 1 5 MET HB3 H -1.549 -4.155 1.721 1.00 . A A . 5 MET HB3 1 1 69 5167 1 1 5 MET HE1 H -3.752 -1.002 0.539 1.00 . A A . 5 MET HE1 1 1 69 5168 1 1 5 MET HE2 H -5.343 -1.432 1.168 1.00 . A A . 5 MET HE2 1 1 69 5169 1 1 5 MET HE3 H -5.094 -1.278 -0.571 1.00 . A A . 5 MET HE3 1 1 69 5170 1 1 5 MET HG2 H -2.074 -2.293 0.468 1.00 . A A . 5 MET HG2 1 1 69 5171 1 1 5 MET HG3 H -2.216 -3.213 -1.028 1.00 . A A . 5 MET HG3 1 1 69 5172 1 1 5 MET N N 0.425 -3.394 -0.107 1.00 . A A . 5 MET N 1 1 69 5173 1 1 5 MET O O -1.502 -5.118 -1.961 1.00 . A A . 5 MET O 1 1 69 5174 1 1 5 MET OXT O 0.429 -6.130 -1.664 1.00 . A A . 5 MET OXT 1 1 69 5175 1 1 5 MET SD S -4.210 -3.322 0.267 1.00 . A A . 5 MET SD 1 1 70 5176 1 1 1 TYR C C 1.182 3.896 -2.135 1.00 . A A . 1 TYR C 1 1 70 5177 1 1 1 TYR CA C 1.779 4.370 -0.814 1.00 . A A . 1 TYR CA 1 1 70 5178 1 1 1 TYR CB C 0.735 5.147 -0.011 1.00 . A A . 1 TYR CB 1 1 70 5179 1 1 1 TYR CD1 C 0.415 3.863 2.139 1.00 . A A . 1 TYR CD1 1 1 70 5180 1 1 1 TYR CD2 C -1.366 3.867 0.556 1.00 . A A . 1 TYR CD2 1 1 70 5181 1 1 1 TYR CE1 C -0.333 3.065 2.984 1.00 . A A . 1 TYR CE1 1 1 70 5182 1 1 1 TYR CE2 C -2.120 3.070 1.396 1.00 . A A . 1 TYR CE2 1 1 70 5183 1 1 1 TYR CG C -0.088 4.277 0.912 1.00 . A A . 1 TYR CG 1 1 70 5184 1 1 1 TYR CZ C -1.599 2.672 2.608 1.00 . A A . 1 TYR CZ 1 1 70 5185 1 1 1 TYR H1 H 3.251 5.628 -0.119 1.00 . A A . 1 TYR H1 1 1 70 5186 1 1 1 TYR H2 H 2.658 6.016 -1.682 1.00 . A A . 1 TYR H2 1 1 70 5187 1 1 1 TYR H3 H 3.707 4.674 -1.468 1.00 . A A . 1 TYR H3 1 1 70 5188 1 1 1 TYR HA H 2.099 3.510 -0.244 1.00 . A A . 1 TYR HA 1 1 70 5189 1 1 1 TYR HB2 H 1.234 5.890 0.592 1.00 . A A . 1 TYR HB2 1 1 70 5190 1 1 1 TYR HB3 H 0.059 5.640 -0.695 1.00 . A A . 1 TYR HB3 1 1 70 5191 1 1 1 TYR HD1 H 1.407 4.173 2.430 1.00 . A A . 1 TYR HD1 1 1 70 5192 1 1 1 TYR HD2 H -1.773 4.180 -0.395 1.00 . A A . 1 TYR HD2 1 1 70 5193 1 1 1 TYR HE1 H 0.077 2.754 3.934 1.00 . A A . 1 TYR HE1 1 1 70 5194 1 1 1 TYR HE2 H -3.112 2.762 1.101 1.00 . A A . 1 TYR HE2 1 1 70 5195 1 1 1 TYR HH H -3.257 2.184 3.451 1.00 . A A . 1 TYR HH 1 1 70 5196 1 1 1 TYR N N 2.955 5.251 -1.041 1.00 . A A . 1 TYR N 1 1 70 5197 1 1 1 TYR O O 1.577 4.355 -3.207 1.00 . A A . 1 TYR O 1 1 70 5198 1 1 1 TYR OH O -2.347 1.879 3.447 1.00 . A A . 1 TYR OH 1 1 70 5199 1 1 2 GLY C C 0.283 1.213 -3.778 1.00 . A A . 2 GLY C 1 1 70 5200 1 1 2 GLY CA C -0.409 2.452 -3.243 1.00 . A A . 2 GLY CA 1 1 70 5201 1 1 2 GLY H H -0.046 2.647 -1.166 1.00 . A A . 2 GLY H 1 1 70 5202 1 1 2 GLY HA2 H -1.435 2.207 -3.011 1.00 . A A . 2 GLY HA2 1 1 70 5203 1 1 2 GLY HA3 H -0.397 3.216 -4.006 1.00 . A A . 2 GLY HA3 1 1 70 5204 1 1 2 GLY N N 0.228 2.975 -2.049 1.00 . A A . 2 GLY N 1 1 70 5205 1 1 2 GLY O O 0.062 0.817 -4.922 1.00 . A A . 2 GLY O 1 1 70 5206 1 1 3 GLY C C 2.299 -1.435 -2.193 1.00 . A A . 3 GLY C 1 1 70 5207 1 1 3 GLY CA C 1.831 -0.598 -3.367 1.00 . A A . 3 GLY CA 1 1 70 5208 1 1 3 GLY H H 1.259 0.954 -2.048 1.00 . A A . 3 GLY H 1 1 70 5209 1 1 3 GLY HA2 H 1.172 -1.198 -3.978 1.00 . A A . 3 GLY HA2 1 1 70 5210 1 1 3 GLY HA3 H 2.689 -0.310 -3.955 1.00 . A A . 3 GLY HA3 1 1 70 5211 1 1 3 GLY N N 1.122 0.597 -2.950 1.00 . A A . 3 GLY N 1 1 70 5212 1 1 3 GLY O O 3.277 -2.173 -2.297 1.00 . A A . 3 GLY O 1 1 70 5213 1 1 4 PHE C C 1.168 -3.392 0.147 1.00 . A A . 4 PHE C 1 1 70 5214 1 1 4 PHE CA C 1.926 -2.075 0.124 1.00 . A A . 4 PHE CA 1 1 70 5215 1 1 4 PHE CB C 1.593 -1.257 1.371 1.00 . A A . 4 PHE CB 1 1 70 5216 1 1 4 PHE CD1 C -0.604 -0.130 0.904 1.00 . A A . 4 PHE CD1 1 1 70 5217 1 1 4 PHE CD2 C -0.536 -1.835 2.570 1.00 . A A . 4 PHE CD2 1 1 70 5218 1 1 4 PHE CE1 C -1.956 0.046 1.135 1.00 . A A . 4 PHE CE1 1 1 70 5219 1 1 4 PHE CE2 C -1.887 -1.663 2.805 1.00 . A A . 4 PHE CE2 1 1 70 5220 1 1 4 PHE CG C 0.120 -1.072 1.618 1.00 . A A . 4 PHE CG 1 1 70 5221 1 1 4 PHE CZ C -2.599 -0.722 2.087 1.00 . A A . 4 PHE CZ 1 1 70 5222 1 1 4 PHE H H 0.818 -0.721 -1.061 1.00 . A A . 4 PHE H 1 1 70 5223 1 1 4 PHE HA H 2.986 -2.280 0.107 1.00 . A A . 4 PHE HA 1 1 70 5224 1 1 4 PHE HB2 H 2.007 -1.752 2.233 1.00 . A A . 4 PHE HB2 1 1 70 5225 1 1 4 PHE HB3 H 2.036 -0.281 1.275 1.00 . A A . 4 PHE HB3 1 1 70 5226 1 1 4 PHE HD1 H -0.104 0.471 0.159 1.00 . A A . 4 PHE HD1 1 1 70 5227 1 1 4 PHE HD2 H 0.018 -2.571 3.132 1.00 . A A . 4 PHE HD2 1 1 70 5228 1 1 4 PHE HE1 H -2.509 0.782 0.572 1.00 . A A . 4 PHE HE1 1 1 70 5229 1 1 4 PHE HE2 H -2.387 -2.265 3.551 1.00 . A A . 4 PHE HE2 1 1 70 5230 1 1 4 PHE HZ H -3.654 -0.585 2.270 1.00 . A A . 4 PHE HZ 1 1 70 5231 1 1 4 PHE N N 1.591 -1.321 -1.076 1.00 . A A . 4 PHE N 1 1 70 5232 1 1 4 PHE O O 1.684 -4.421 0.584 1.00 . A A . 4 PHE O 1 1 70 5233 1 1 5 MET C C -0.390 -5.533 -1.385 1.00 . A A . 5 MET C 1 1 70 5234 1 1 5 MET CA C -0.923 -4.517 -0.380 1.00 . A A . 5 MET CA 1 1 70 5235 1 1 5 MET CB C -2.355 -4.123 -0.757 1.00 . A A . 5 MET CB 1 1 70 5236 1 1 5 MET CE C -2.096 -1.053 -2.032 1.00 . A A . 5 MET CE 1 1 70 5237 1 1 5 MET CG C -2.846 -2.859 -0.067 1.00 . A A . 5 MET CG 1 1 70 5238 1 1 5 MET H H -0.403 -2.480 -0.660 1.00 . A A . 5 MET H 1 1 70 5239 1 1 5 MET HA H -0.929 -4.967 0.602 1.00 . A A . 5 MET HA 1 1 70 5240 1 1 5 MET HB2 H -2.401 -3.967 -1.825 1.00 . A A . 5 MET HB2 1 1 70 5241 1 1 5 MET HB3 H -3.019 -4.933 -0.493 1.00 . A A . 5 MET HB3 1 1 70 5242 1 1 5 MET HE1 H -2.376 -0.543 -2.941 1.00 . A A . 5 MET HE1 1 1 70 5243 1 1 5 MET HE2 H -1.441 -1.879 -2.268 1.00 . A A . 5 MET HE2 1 1 70 5244 1 1 5 MET HE3 H -1.585 -0.365 -1.375 1.00 . A A . 5 MET HE3 1 1 70 5245 1 1 5 MET HG2 H -3.595 -3.131 0.661 1.00 . A A . 5 MET HG2 1 1 70 5246 1 1 5 MET HG3 H -2.012 -2.393 0.433 1.00 . A A . 5 MET HG3 1 1 70 5247 1 1 5 MET N N -0.064 -3.339 -0.332 1.00 . A A . 5 MET N 1 1 70 5248 1 1 5 MET O O -1.091 -6.534 -1.642 1.00 . A A . 5 MET O 1 1 70 5249 1 1 5 MET OXT O 0.724 -5.319 -1.907 1.00 . A A . 5 MET OXT 1 1 70 5250 1 1 5 MET SD S -3.567 -1.673 -1.219 1.00 . A A . 5 MET SD 1 1 71 5251 1 1 1 TYR C C 1.353 3.705 -2.053 1.00 . A A . 1 TYR C 1 1 71 5252 1 1 1 TYR CA C 1.950 4.057 -0.693 1.00 . A A . 1 TYR CA 1 1 71 5253 1 1 1 TYR CB C 1.010 4.992 0.068 1.00 . A A . 1 TYR CB 1 1 71 5254 1 1 1 TYR CD1 C 0.119 3.361 1.777 1.00 . A A . 1 TYR CD1 1 1 71 5255 1 1 1 TYR CD2 C -1.446 4.514 0.397 1.00 . A A . 1 TYR CD2 1 1 71 5256 1 1 1 TYR CE1 C -0.918 2.701 2.409 1.00 . A A . 1 TYR CE1 1 1 71 5257 1 1 1 TYR CE2 C -2.488 3.859 1.025 1.00 . A A . 1 TYR CE2 1 1 71 5258 1 1 1 TYR CG C -0.127 4.277 0.761 1.00 . A A . 1 TYR CG 1 1 71 5259 1 1 1 TYR CZ C -2.219 2.955 2.030 1.00 . A A . 1 TYR CZ 1 1 71 5260 1 1 1 TYR H1 H 3.855 4.139 -1.465 1.00 . A A . 1 TYR H1 1 1 71 5261 1 1 1 TYR H2 H 3.690 4.808 0.106 1.00 . A A . 1 TYR H2 1 1 71 5262 1 1 1 TYR H3 H 3.102 5.664 -1.260 1.00 . A A . 1 TYR H3 1 1 71 5263 1 1 1 TYR HA H 2.088 3.150 -0.124 1.00 . A A . 1 TYR HA 1 1 71 5264 1 1 1 TYR HB2 H 1.573 5.525 0.820 1.00 . A A . 1 TYR HB2 1 1 71 5265 1 1 1 TYR HB3 H 0.582 5.702 -0.624 1.00 . A A . 1 TYR HB3 1 1 71 5266 1 1 1 TYR HD1 H 1.140 3.166 2.072 1.00 . A A . 1 TYR HD1 1 1 71 5267 1 1 1 TYR HD2 H -1.653 5.222 -0.391 1.00 . A A . 1 TYR HD2 1 1 71 5268 1 1 1 TYR HE1 H -0.707 1.993 3.197 1.00 . A A . 1 TYR HE1 1 1 71 5269 1 1 1 TYR HE2 H -3.508 4.057 0.727 1.00 . A A . 1 TYR HE2 1 1 71 5270 1 1 1 TYR HH H -3.938 2.934 2.893 1.00 . A A . 1 TYR HH 1 1 71 5271 1 1 1 TYR N N 3.268 4.728 -0.842 1.00 . A A . 1 TYR N 1 1 71 5272 1 1 1 TYR O O 1.912 4.045 -3.095 1.00 . A A . 1 TYR O 1 1 71 5273 1 1 1 TYR OH O -3.255 2.301 2.658 1.00 . A A . 1 TYR OH 1 1 71 5274 1 1 2 GLY C C 0.126 1.356 -3.856 1.00 . A A . 2 GLY C 1 1 71 5275 1 1 2 GLY CA C -0.444 2.633 -3.265 1.00 . A A . 2 GLY CA 1 1 71 5276 1 1 2 GLY H H -0.185 2.779 -1.171 1.00 . A A . 2 GLY H 1 1 71 5277 1 1 2 GLY HA2 H -1.495 2.485 -3.067 1.00 . A A . 2 GLY HA2 1 1 71 5278 1 1 2 GLY HA3 H -0.334 3.430 -3.986 1.00 . A A . 2 GLY HA3 1 1 71 5279 1 1 2 GLY N N 0.213 3.021 -2.031 1.00 . A A . 2 GLY N 1 1 71 5280 1 1 2 GLY O O -0.155 1.020 -5.007 1.00 . A A . 2 GLY O 1 1 71 5281 1 1 3 GLY C C 2.154 -1.394 -2.420 1.00 . A A . 3 GLY C 1 1 71 5282 1 1 3 GLY CA C 1.518 -0.597 -3.541 1.00 . A A . 3 GLY CA 1 1 71 5283 1 1 3 GLY H H 1.113 0.955 -2.161 1.00 . A A . 3 GLY H 1 1 71 5284 1 1 3 GLY HA2 H 0.749 -1.197 -4.003 1.00 . A A . 3 GLY HA2 1 1 71 5285 1 1 3 GLY HA3 H 2.273 -0.366 -4.277 1.00 . A A . 3 GLY HA3 1 1 71 5286 1 1 3 GLY N N 0.925 0.641 -3.069 1.00 . A A . 3 GLY N 1 1 71 5287 1 1 3 GLY O O 3.143 -2.095 -2.629 1.00 . A A . 3 GLY O 1 1 71 5288 1 1 4 PHE C C 1.394 -3.354 0.071 1.00 . A A . 4 PHE C 1 1 71 5289 1 1 4 PHE CA C 2.081 -2.006 -0.065 1.00 . A A . 4 PHE CA 1 1 71 5290 1 1 4 PHE CB C 1.861 -1.178 1.202 1.00 . A A . 4 PHE CB 1 1 71 5291 1 1 4 PHE CD1 C -0.399 -0.105 0.957 1.00 . A A . 4 PHE CD1 1 1 71 5292 1 1 4 PHE CD2 C -0.116 -1.786 2.624 1.00 . A A . 4 PHE CD2 1 1 71 5293 1 1 4 PHE CE1 C -1.722 0.044 1.328 1.00 . A A . 4 PHE CE1 1 1 71 5294 1 1 4 PHE CE2 C -1.439 -1.640 3.001 1.00 . A A . 4 PHE CE2 1 1 71 5295 1 1 4 PHE CG C 0.418 -1.021 1.599 1.00 . A A . 4 PHE CG 1 1 71 5296 1 1 4 PHE CZ C -2.243 -0.724 2.352 1.00 . A A . 4 PHE CZ 1 1 71 5297 1 1 4 PHE H H 0.787 -0.717 -1.132 1.00 . A A . 4 PHE H 1 1 71 5298 1 1 4 PHE HA H 3.139 -2.163 -0.204 1.00 . A A . 4 PHE HA 1 1 71 5299 1 1 4 PHE HB2 H 2.375 -1.652 2.020 1.00 . A A . 4 PHE HB2 1 1 71 5300 1 1 4 PHE HB3 H 2.269 -0.193 1.049 1.00 . A A . 4 PHE HB3 1 1 71 5301 1 1 4 PHE HD1 H 0.006 0.497 0.158 1.00 . A A . 4 PHE HD1 1 1 71 5302 1 1 4 PHE HD2 H 0.510 -2.504 3.132 1.00 . A A . 4 PHE HD2 1 1 71 5303 1 1 4 PHE HE1 H -2.348 0.763 0.819 1.00 . A A . 4 PHE HE1 1 1 71 5304 1 1 4 PHE HE2 H -1.843 -2.243 3.800 1.00 . A A . 4 PHE HE2 1 1 71 5305 1 1 4 PHE HZ H -3.276 -0.607 2.644 1.00 . A A . 4 PHE HZ 1 1 71 5306 1 1 4 PHE N N 1.576 -1.289 -1.229 1.00 . A A . 4 PHE N 1 1 71 5307 1 1 4 PHE O O 2.013 -4.352 0.441 1.00 . A A . 4 PHE O 1 1 71 5308 1 1 5 MET C C -0.254 -5.591 -1.214 1.00 . A A . 5 MET C 1 1 71 5309 1 1 5 MET CA C -0.692 -4.584 -0.155 1.00 . A A . 5 MET CA 1 1 71 5310 1 1 5 MET CB C -2.178 -4.262 -0.333 1.00 . A A . 5 MET CB 1 1 71 5311 1 1 5 MET CE C -2.928 -0.951 -1.273 1.00 . A A . 5 MET CE 1 1 71 5312 1 1 5 MET CG C -2.650 -3.073 0.487 1.00 . A A . 5 MET CG 1 1 71 5313 1 1 5 MET H H -0.315 -2.530 -0.519 1.00 . A A . 5 MET H 1 1 71 5314 1 1 5 MET HA H -0.541 -5.017 0.822 1.00 . A A . 5 MET HA 1 1 71 5315 1 1 5 MET HB2 H -2.365 -4.049 -1.375 1.00 . A A . 5 MET HB2 1 1 71 5316 1 1 5 MET HB3 H -2.758 -5.125 -0.044 1.00 . A A . 5 MET HB3 1 1 71 5317 1 1 5 MET HE1 H -3.190 0.056 -0.985 1.00 . A A . 5 MET HE1 1 1 71 5318 1 1 5 MET HE2 H -3.108 -1.082 -2.330 1.00 . A A . 5 MET HE2 1 1 71 5319 1 1 5 MET HE3 H -1.884 -1.126 -1.061 1.00 . A A . 5 MET HE3 1 1 71 5320 1 1 5 MET HG2 H -3.046 -3.434 1.424 1.00 . A A . 5 MET HG2 1 1 71 5321 1 1 5 MET HG3 H -1.806 -2.429 0.680 1.00 . A A . 5 MET HG3 1 1 71 5322 1 1 5 MET N N 0.108 -3.366 -0.235 1.00 . A A . 5 MET N 1 1 71 5323 1 1 5 MET O O 0.459 -6.552 -0.856 1.00 . A A . 5 MET O 1 1 71 5324 1 1 5 MET OXT O -0.626 -5.410 -2.392 1.00 . A A . 5 MET OXT 1 1 71 5325 1 1 5 MET SD S -3.928 -2.115 -0.349 1.00 . A A . 5 MET SD 1 1 72 5326 1 1 1 TYR C C 1.543 3.356 -1.668 1.00 . A A . 1 TYR C 1 1 72 5327 1 1 1 TYR CA C 1.933 3.684 -0.231 1.00 . A A . 1 TYR CA 1 1 72 5328 1 1 1 TYR CB C 1.080 4.840 0.294 1.00 . A A . 1 TYR CB 1 1 72 5329 1 1 1 TYR CD1 C -0.521 3.461 1.677 1.00 . A A . 1 TYR CD1 1 1 72 5330 1 1 1 TYR CD2 C -1.431 4.995 0.096 1.00 . A A . 1 TYR CD2 1 1 72 5331 1 1 1 TYR CE1 C -1.796 3.075 2.044 1.00 . A A . 1 TYR CE1 1 1 72 5332 1 1 1 TYR CE2 C -2.710 4.616 0.459 1.00 . A A . 1 TYR CE2 1 1 72 5333 1 1 1 TYR CG C -0.317 4.426 0.699 1.00 . A A . 1 TYR CG 1 1 72 5334 1 1 1 TYR CZ C -2.887 3.656 1.432 1.00 . A A . 1 TYR CZ 1 1 72 5335 1 1 1 TYR H1 H 3.933 3.204 -0.224 1.00 . A A . 1 TYR H1 1 1 72 5336 1 1 1 TYR H2 H 3.509 4.525 0.788 1.00 . A A . 1 TYR H2 1 1 72 5337 1 1 1 TYR H3 H 3.567 4.730 -0.916 1.00 . A A . 1 TYR H3 1 1 72 5338 1 1 1 TYR HA H 1.770 2.812 0.385 1.00 . A A . 1 TYR HA 1 1 72 5339 1 1 1 TYR HB2 H 1.561 5.271 1.158 1.00 . A A . 1 TYR HB2 1 1 72 5340 1 1 1 TYR HB3 H 0.991 5.591 -0.477 1.00 . A A . 1 TYR HB3 1 1 72 5341 1 1 1 TYR HD1 H 0.336 3.009 2.154 1.00 . A A . 1 TYR HD1 1 1 72 5342 1 1 1 TYR HD2 H -1.290 5.746 -0.666 1.00 . A A . 1 TYR HD2 1 1 72 5343 1 1 1 TYR HE1 H -1.933 2.322 2.804 1.00 . A A . 1 TYR HE1 1 1 72 5344 1 1 1 TYR HE2 H -3.564 5.069 -0.022 1.00 . A A . 1 TYR HE2 1 1 72 5345 1 1 1 TYR HH H -4.388 3.684 2.632 1.00 . A A . 1 TYR HH 1 1 72 5346 1 1 1 TYR N N 3.365 4.070 -0.138 1.00 . A A . 1 TYR N 1 1 72 5347 1 1 1 TYR O O 2.351 3.486 -2.589 1.00 . A A . 1 TYR O 1 1 72 5348 1 1 1 TYR OH O -4.158 3.274 1.795 1.00 . A A . 1 TYR OH 1 1 72 5349 1 1 2 GLY C C 0.517 1.368 -3.746 1.00 . A A . 2 GLY C 1 1 72 5350 1 1 2 GLY CA C -0.183 2.585 -3.176 1.00 . A A . 2 GLY CA 1 1 72 5351 1 1 2 GLY H H -0.298 2.845 -1.082 1.00 . A A . 2 GLY H 1 1 72 5352 1 1 2 GLY HA2 H -1.243 2.385 -3.118 1.00 . A A . 2 GLY HA2 1 1 72 5353 1 1 2 GLY HA3 H -0.020 3.424 -3.836 1.00 . A A . 2 GLY HA3 1 1 72 5354 1 1 2 GLY N N 0.298 2.929 -1.852 1.00 . A A . 2 GLY N 1 1 72 5355 1 1 2 GLY O O 1.248 1.466 -4.731 1.00 . A A . 2 GLY O 1 1 72 5356 1 1 3 GLY C C 1.668 -1.739 -2.490 1.00 . A A . 3 GLY C 1 1 72 5357 1 1 3 GLY CA C 0.907 -1.015 -3.585 1.00 . A A . 3 GLY CA 1 1 72 5358 1 1 3 GLY H H -0.307 0.204 -2.344 1.00 . A A . 3 GLY H 1 1 72 5359 1 1 3 GLY HA2 H 0.133 -1.671 -3.957 1.00 . A A . 3 GLY HA2 1 1 72 5360 1 1 3 GLY HA3 H 1.588 -0.784 -4.390 1.00 . A A . 3 GLY HA3 1 1 72 5361 1 1 3 GLY N N 0.288 0.217 -3.123 1.00 . A A . 3 GLY N 1 1 72 5362 1 1 3 GLY O O 2.396 -2.694 -2.760 1.00 . A A . 3 GLY O 1 1 72 5363 1 1 4 PHE C C 1.584 -3.287 0.155 1.00 . A A . 4 PHE C 1 1 72 5364 1 1 4 PHE CA C 2.162 -1.905 -0.113 1.00 . A A . 4 PHE CA 1 1 72 5365 1 1 4 PHE CB C 1.998 -1.028 1.130 1.00 . A A . 4 PHE CB 1 1 72 5366 1 1 4 PHE CD1 C -0.261 0.056 0.961 1.00 . A A . 4 PHE CD1 1 1 72 5367 1 1 4 PHE CD2 C 0.055 -1.656 2.591 1.00 . A A . 4 PHE CD2 1 1 72 5368 1 1 4 PHE CE1 C -1.576 0.199 1.361 1.00 . A A . 4 PHE CE1 1 1 72 5369 1 1 4 PHE CE2 C -1.259 -1.517 2.996 1.00 . A A . 4 PHE CE2 1 1 72 5370 1 1 4 PHE CG C 0.568 -0.872 1.571 1.00 . A A . 4 PHE CG 1 1 72 5371 1 1 4 PHE CZ C -2.076 -0.589 2.379 1.00 . A A . 4 PHE CZ 1 1 72 5372 1 1 4 PHE H H 0.900 -0.531 -1.099 1.00 . A A . 4 PHE H 1 1 72 5373 1 1 4 PHE HA H 3.212 -1.999 -0.347 1.00 . A A . 4 PHE HA 1 1 72 5374 1 1 4 PHE HB2 H 2.549 -1.469 1.946 1.00 . A A . 4 PHE HB2 1 1 72 5375 1 1 4 PHE HB3 H 2.392 -0.046 0.922 1.00 . A A . 4 PHE HB3 1 1 72 5376 1 1 4 PHE HD1 H 0.127 0.674 0.166 1.00 . A A . 4 PHE HD1 1 1 72 5377 1 1 4 PHE HD2 H 0.693 -2.382 3.073 1.00 . A A . 4 PHE HD2 1 1 72 5378 1 1 4 PHE HE1 H -2.211 0.925 0.876 1.00 . A A . 4 PHE HE1 1 1 72 5379 1 1 4 PHE HE2 H -1.647 -2.134 3.793 1.00 . A A . 4 PHE HE2 1 1 72 5380 1 1 4 PHE HZ H -3.103 -0.478 2.694 1.00 . A A . 4 PHE HZ 1 1 72 5381 1 1 4 PHE N N 1.495 -1.291 -1.252 1.00 . A A . 4 PHE N 1 1 72 5382 1 1 4 PHE O O 2.310 -4.238 0.443 1.00 . A A . 4 PHE O 1 1 72 5383 1 1 5 MET C C -0.517 -5.461 -0.996 1.00 . A A . 5 MET C 1 1 72 5384 1 1 5 MET CA C -0.436 -4.639 0.285 1.00 . A A . 5 MET CA 1 1 72 5385 1 1 5 MET CB C -1.844 -4.377 0.834 1.00 . A A . 5 MET CB 1 1 72 5386 1 1 5 MET CE C -2.482 -1.417 -1.916 1.00 . A A . 5 MET CE 1 1 72 5387 1 1 5 MET CG C -2.537 -3.156 0.240 1.00 . A A . 5 MET CG 1 1 72 5388 1 1 5 MET H H -0.250 -2.582 -0.175 1.00 . A A . 5 MET H 1 1 72 5389 1 1 5 MET HA H 0.125 -5.198 1.019 1.00 . A A . 5 MET HA 1 1 72 5390 1 1 5 MET HB2 H -2.459 -5.241 0.636 1.00 . A A . 5 MET HB2 1 1 72 5391 1 1 5 MET HB3 H -1.774 -4.235 1.902 1.00 . A A . 5 MET HB3 1 1 72 5392 1 1 5 MET HE1 H -1.979 -0.911 -1.104 1.00 . A A . 5 MET HE1 1 1 72 5393 1 1 5 MET HE2 H -3.480 -1.021 -2.023 1.00 . A A . 5 MET HE2 1 1 72 5394 1 1 5 MET HE3 H -1.931 -1.262 -2.832 1.00 . A A . 5 MET HE3 1 1 72 5395 1 1 5 MET HG2 H -3.554 -3.127 0.601 1.00 . A A . 5 MET HG2 1 1 72 5396 1 1 5 MET HG3 H -2.017 -2.269 0.570 1.00 . A A . 5 MET HG3 1 1 72 5397 1 1 5 MET N N 0.264 -3.381 0.057 1.00 . A A . 5 MET N 1 1 72 5398 1 1 5 MET O O -1.118 -6.556 -0.960 1.00 . A A . 5 MET O 1 1 72 5399 1 1 5 MET OXT O 0.020 -5.004 -2.027 1.00 . A A . 5 MET OXT 1 1 72 5400 1 1 5 MET SD S -2.569 -3.171 -1.562 1.00 . A A . 5 MET SD 1 1 73 5401 1 1 1 TYR C C 1.522 3.688 -2.072 1.00 . A A . 1 TYR C 1 1 73 5402 1 1 1 TYR CA C 2.147 3.998 -0.716 1.00 . A A . 1 TYR CA 1 1 73 5403 1 1 1 TYR CB C 1.263 4.974 0.061 1.00 . A A . 1 TYR CB 1 1 73 5404 1 1 1 TYR CD1 C 0.252 3.323 1.680 1.00 . A A . 1 TYR CD1 1 1 73 5405 1 1 1 TYR CD2 C -1.222 4.685 0.394 1.00 . A A . 1 TYR CD2 1 1 73 5406 1 1 1 TYR CE1 C -0.831 2.715 2.286 1.00 . A A . 1 TYR CE1 1 1 73 5407 1 1 1 TYR CE2 C -2.310 4.083 0.996 1.00 . A A . 1 TYR CE2 1 1 73 5408 1 1 1 TYR CG C 0.075 4.316 0.725 1.00 . A A . 1 TYR CG 1 1 73 5409 1 1 1 TYR CZ C -2.110 3.099 1.941 1.00 . A A . 1 TYR CZ 1 1 73 5410 1 1 1 TYR H1 H 4.153 3.844 -1.150 1.00 . A A . 1 TYR H1 1 1 73 5411 1 1 1 TYR H2 H 3.766 5.014 0.044 1.00 . A A . 1 TYR H2 1 1 73 5412 1 1 1 TYR H3 H 3.434 5.330 -1.610 1.00 . A A . 1 TYR H3 1 1 73 5413 1 1 1 TYR HA H 2.244 3.081 -0.154 1.00 . A A . 1 TYR HA 1 1 73 5414 1 1 1 TYR HB2 H 1.851 5.451 0.829 1.00 . A A . 1 TYR HB2 1 1 73 5415 1 1 1 TYR HB3 H 0.888 5.726 -0.619 1.00 . A A . 1 TYR HB3 1 1 73 5416 1 1 1 TYR HD1 H 1.254 3.024 1.948 1.00 . A A . 1 TYR HD1 1 1 73 5417 1 1 1 TYR HD2 H -1.376 5.455 -0.348 1.00 . A A . 1 TYR HD2 1 1 73 5418 1 1 1 TYR HE1 H -0.674 1.944 3.025 1.00 . A A . 1 TYR HE1 1 1 73 5419 1 1 1 TYR HE2 H -3.311 4.383 0.724 1.00 . A A . 1 TYR HE2 1 1 73 5420 1 1 1 TYR HH H -3.666 3.144 3.070 1.00 . A A . 1 TYR HH 1 1 73 5421 1 1 1 TYR N N 3.497 4.601 -0.871 1.00 . A A . 1 TYR N 1 1 73 5422 1 1 1 TYR O O 2.094 3.998 -3.118 1.00 . A A . 1 TYR O 1 1 73 5423 1 1 1 TYR OH O -3.191 2.496 2.542 1.00 . A A . 1 TYR OH 1 1 73 5424 1 1 2 GLY C C 0.088 1.383 -3.834 1.00 . A A . 2 GLY C 1 1 73 5425 1 1 2 GLY CA C -0.342 2.729 -3.279 1.00 . A A . 2 GLY CA 1 1 73 5426 1 1 2 GLY H H -0.063 2.851 -1.186 1.00 . A A . 2 GLY H 1 1 73 5427 1 1 2 GLY HA2 H -1.405 2.704 -3.088 1.00 . A A . 2 GLY HA2 1 1 73 5428 1 1 2 GLY HA3 H -0.139 3.493 -4.015 1.00 . A A . 2 GLY HA3 1 1 73 5429 1 1 2 GLY N N 0.344 3.073 -2.048 1.00 . A A . 2 GLY N 1 1 73 5430 1 1 2 GLY O O -0.375 0.970 -4.898 1.00 . A A . 2 GLY O 1 1 73 5431 1 1 3 GLY C C 2.041 -1.422 -2.436 1.00 . A A . 3 GLY C 1 1 73 5432 1 1 3 GLY CA C 1.442 -0.603 -3.562 1.00 . A A . 3 GLY CA 1 1 73 5433 1 1 3 GLY H H 1.307 1.071 -2.275 1.00 . A A . 3 GLY H 1 1 73 5434 1 1 3 GLY HA2 H 0.612 -1.148 -3.986 1.00 . A A . 3 GLY HA2 1 1 73 5435 1 1 3 GLY HA3 H 2.194 -0.459 -4.326 1.00 . A A . 3 GLY HA3 1 1 73 5436 1 1 3 GLY N N 0.973 0.695 -3.115 1.00 . A A . 3 GLY N 1 1 73 5437 1 1 3 GLY O O 2.894 -2.279 -2.666 1.00 . A A . 3 GLY O 1 1 73 5438 1 1 4 PHE C C 1.454 -3.261 0.040 1.00 . A A . 4 PHE C 1 1 73 5439 1 1 4 PHE CA C 2.082 -1.878 -0.046 1.00 . A A . 4 PHE CA 1 1 73 5440 1 1 4 PHE CB C 1.791 -1.089 1.234 1.00 . A A . 4 PHE CB 1 1 73 5441 1 1 4 PHE CD1 C -0.463 -0.022 0.904 1.00 . A A . 4 PHE CD1 1 1 73 5442 1 1 4 PHE CD2 C -0.250 -1.746 2.539 1.00 . A A . 4 PHE CD2 1 1 73 5443 1 1 4 PHE CE1 C -1.803 0.112 1.215 1.00 . A A . 4 PHE CE1 1 1 73 5444 1 1 4 PHE CE2 C -1.590 -1.617 2.854 1.00 . A A . 4 PHE CE2 1 1 73 5445 1 1 4 PHE CG C 0.329 -0.952 1.563 1.00 . A A . 4 PHE CG 1 1 73 5446 1 1 4 PHE CZ C -2.368 -0.687 2.190 1.00 . A A . 4 PHE CZ 1 1 73 5447 1 1 4 PHE H H 0.909 -0.467 -1.097 1.00 . A A . 4 PHE H 1 1 73 5448 1 1 4 PHE HA H 3.151 -1.989 -0.153 1.00 . A A . 4 PHE HA 1 1 73 5449 1 1 4 PHE HB2 H 2.265 -1.585 2.062 1.00 . A A . 4 PHE HB2 1 1 73 5450 1 1 4 PHE HB3 H 2.202 -0.098 1.131 1.00 . A A . 4 PHE HB3 1 1 73 5451 1 1 4 PHE HD1 H -0.024 0.605 0.143 1.00 . A A . 4 PHE HD1 1 1 73 5452 1 1 4 PHE HD2 H 0.357 -2.473 3.059 1.00 . A A . 4 PHE HD2 1 1 73 5453 1 1 4 PHE HE1 H -2.408 0.839 0.696 1.00 . A A . 4 PHE HE1 1 1 73 5454 1 1 4 PHE HE2 H -2.028 -2.243 3.616 1.00 . A A . 4 PHE HE2 1 1 73 5455 1 1 4 PHE HZ H -3.414 -0.585 2.435 1.00 . A A . 4 PHE HZ 1 1 73 5456 1 1 4 PHE N N 1.589 -1.160 -1.214 1.00 . A A . 4 PHE N 1 1 73 5457 1 1 4 PHE O O 2.125 -4.245 0.350 1.00 . A A . 4 PHE O 1 1 73 5458 1 1 5 MET C C -0.100 -5.518 -1.317 1.00 . A A . 5 MET C 1 1 73 5459 1 1 5 MET CA C -0.570 -4.586 -0.206 1.00 . A A . 5 MET CA 1 1 73 5460 1 1 5 MET CB C -2.073 -4.336 -0.345 1.00 . A A . 5 MET CB 1 1 73 5461 1 1 5 MET CE C -4.377 -1.421 -0.450 1.00 . A A . 5 MET CE 1 1 73 5462 1 1 5 MET CG C -2.604 -3.273 0.599 1.00 . A A . 5 MET CG 1 1 73 5463 1 1 5 MET H H -0.311 -2.501 -0.482 1.00 . A A . 5 MET H 1 1 73 5464 1 1 5 MET HA H -0.378 -5.054 0.748 1.00 . A A . 5 MET HA 1 1 73 5465 1 1 5 MET HB2 H -2.281 -4.022 -1.358 1.00 . A A . 5 MET HB2 1 1 73 5466 1 1 5 MET HB3 H -2.600 -5.258 -0.149 1.00 . A A . 5 MET HB3 1 1 73 5467 1 1 5 MET HE1 H -3.398 -0.972 -0.382 1.00 . A A . 5 MET HE1 1 1 73 5468 1 1 5 MET HE2 H -5.106 -0.765 0.004 1.00 . A A . 5 MET HE2 1 1 73 5469 1 1 5 MET HE3 H -4.630 -1.576 -1.488 1.00 . A A . 5 MET HE3 1 1 73 5470 1 1 5 MET HG2 H -2.415 -3.587 1.615 1.00 . A A . 5 MET HG2 1 1 73 5471 1 1 5 MET HG3 H -2.084 -2.346 0.406 1.00 . A A . 5 MET HG3 1 1 73 5472 1 1 5 MET N N 0.162 -3.325 -0.244 1.00 . A A . 5 MET N 1 1 73 5473 1 1 5 MET O O -0.645 -5.426 -2.437 1.00 . A A . 5 MET O 1 1 73 5474 1 1 5 MET OXT O 0.811 -6.333 -1.059 1.00 . A A . 5 MET OXT 1 1 73 5475 1 1 5 MET SD S -4.376 -2.994 0.407 1.00 . A A . 5 MET SD 1 1 74 5476 1 1 1 TYR C C 1.568 3.141 -1.589 1.00 . A A . 1 TYR C 1 1 74 5477 1 1 1 TYR CA C 1.895 3.433 -0.129 1.00 . A A . 1 TYR CA 1 1 74 5478 1 1 1 TYR CB C 1.140 4.677 0.341 1.00 . A A . 1 TYR CB 1 1 74 5479 1 1 1 TYR CD1 C -0.771 3.396 1.380 1.00 . A A . 1 TYR CD1 1 1 74 5480 1 1 1 TYR CD2 C -1.289 5.253 -0.023 1.00 . A A . 1 TYR CD2 1 1 74 5481 1 1 1 TYR CE1 C -2.119 3.172 1.586 1.00 . A A . 1 TYR CE1 1 1 74 5482 1 1 1 TYR CE2 C -2.638 5.035 0.180 1.00 . A A . 1 TYR CE2 1 1 74 5483 1 1 1 TYR CG C -0.334 4.440 0.573 1.00 . A A . 1 TYR CG 1 1 74 5484 1 1 1 TYR CZ C -3.048 3.994 0.984 1.00 . A A . 1 TYR CZ 1 1 74 5485 1 1 1 TYR H1 H 3.860 2.902 -0.434 1.00 . A A . 1 TYR H1 1 1 74 5486 1 1 1 TYR H2 H 3.545 3.642 1.083 1.00 . A A . 1 TYR H2 1 1 74 5487 1 1 1 TYR H3 H 3.582 4.590 -0.347 1.00 . A A . 1 TYR H3 1 1 74 5488 1 1 1 TYR HA H 1.599 2.587 0.475 1.00 . A A . 1 TYR HA 1 1 74 5489 1 1 1 TYR HB2 H 1.570 5.026 1.266 1.00 . A A . 1 TYR HB2 1 1 74 5490 1 1 1 TYR HB3 H 1.235 5.447 -0.410 1.00 . A A . 1 TYR HB3 1 1 74 5491 1 1 1 TYR HD1 H -0.040 2.756 1.850 1.00 . A A . 1 TYR HD1 1 1 74 5492 1 1 1 TYR HD2 H -0.966 6.068 -0.653 1.00 . A A . 1 TYR HD2 1 1 74 5493 1 1 1 TYR HE1 H -2.439 2.353 2.214 1.00 . A A . 1 TYR HE1 1 1 74 5494 1 1 1 TYR HE2 H -3.365 5.678 -0.293 1.00 . A A . 1 TYR HE2 1 1 74 5495 1 1 1 TYR HH H -4.828 4.607 1.373 1.00 . A A . 1 TYR HH 1 1 74 5496 1 1 1 TYR N N 3.352 3.662 0.060 1.00 . A A . 1 TYR N 1 1 74 5497 1 1 1 TYR O O 2.444 3.167 -2.452 1.00 . A A . 1 TYR O 1 1 74 5498 1 1 1 TYR OH O -4.391 3.772 1.187 1.00 . A A . 1 TYR OH 1 1 74 5499 1 1 2 GLY C C 0.587 1.377 -3.802 1.00 . A A . 2 GLY C 1 1 74 5500 1 1 2 GLY CA C -0.135 2.570 -3.208 1.00 . A A . 2 GLY CA 1 1 74 5501 1 1 2 GLY H H -0.355 2.858 -1.126 1.00 . A A . 2 GLY H 1 1 74 5502 1 1 2 GLY HA2 H -1.197 2.364 -3.195 1.00 . A A . 2 GLY HA2 1 1 74 5503 1 1 2 GLY HA3 H 0.045 3.435 -3.828 1.00 . A A . 2 GLY HA3 1 1 74 5504 1 1 2 GLY N N 0.297 2.863 -1.855 1.00 . A A . 2 GLY N 1 1 74 5505 1 1 2 GLY O O 1.375 1.521 -4.736 1.00 . A A . 2 GLY O 1 1 74 5506 1 1 3 GLY C C 1.768 -1.720 -2.676 1.00 . A A . 3 GLY C 1 1 74 5507 1 1 3 GLY CA C 0.952 -1.015 -3.744 1.00 . A A . 3 GLY CA 1 1 74 5508 1 1 3 GLY H H -0.321 0.147 -2.513 1.00 . A A . 3 GLY H 1 1 74 5509 1 1 3 GLY HA2 H 0.188 -1.691 -4.095 1.00 . A A . 3 GLY HA2 1 1 74 5510 1 1 3 GLY HA3 H 1.602 -0.762 -4.569 1.00 . A A . 3 GLY HA3 1 1 74 5511 1 1 3 GLY N N 0.317 0.196 -3.256 1.00 . A A . 3 GLY N 1 1 74 5512 1 1 3 GLY O O 2.499 -2.667 -2.968 1.00 . A A . 3 GLY O 1 1 74 5513 1 1 4 PHE C C 1.810 -3.243 -0.012 1.00 . A A . 4 PHE C 1 1 74 5514 1 1 4 PHE CA C 2.356 -1.856 -0.317 1.00 . A A . 4 PHE CA 1 1 74 5515 1 1 4 PHE CB C 2.227 -0.968 0.920 1.00 . A A . 4 PHE CB 1 1 74 5516 1 1 4 PHE CD1 C -0.070 0.045 0.832 1.00 . A A . 4 PHE CD1 1 1 74 5517 1 1 4 PHE CD2 C 0.377 -1.605 2.494 1.00 . A A . 4 PHE CD2 1 1 74 5518 1 1 4 PHE CE1 C -1.367 0.162 1.292 1.00 . A A . 4 PHE CE1 1 1 74 5519 1 1 4 PHE CE2 C -0.919 -1.491 2.960 1.00 . A A . 4 PHE CE2 1 1 74 5520 1 1 4 PHE CG C 0.816 -0.839 1.426 1.00 . A A . 4 PHE CG 1 1 74 5521 1 1 4 PHE CZ C -1.792 -0.606 2.358 1.00 . A A . 4 PHE CZ 1 1 74 5522 1 1 4 PHE H H 1.035 -0.512 -1.268 1.00 . A A . 4 PHE H 1 1 74 5523 1 1 4 PHE HA H 3.396 -1.937 -0.591 1.00 . A A . 4 PHE HA 1 1 74 5524 1 1 4 PHE HB2 H 2.825 -1.384 1.715 1.00 . A A . 4 PHE HB2 1 1 74 5525 1 1 4 PHE HB3 H 2.587 0.021 0.683 1.00 . A A . 4 PHE HB3 1 1 74 5526 1 1 4 PHE HD1 H 0.260 0.648 0.000 1.00 . A A . 4 PHE HD1 1 1 74 5527 1 1 4 PHE HD2 H 1.060 -2.297 2.966 1.00 . A A . 4 PHE HD2 1 1 74 5528 1 1 4 PHE HE1 H -2.048 0.853 0.816 1.00 . A A . 4 PHE HE1 1 1 74 5529 1 1 4 PHE HE2 H -1.249 -2.093 3.794 1.00 . A A . 4 PHE HE2 1 1 74 5530 1 1 4 PHE HZ H -2.806 -0.516 2.720 1.00 . A A . 4 PHE HZ 1 1 74 5531 1 1 4 PHE N N 1.635 -1.263 -1.437 1.00 . A A . 4 PHE N 1 1 74 5532 1 1 4 PHE O O 2.563 -4.178 0.263 1.00 . A A . 4 PHE O 1 1 74 5533 1 1 5 MET C C -0.409 -5.408 -1.087 1.00 . A A . 5 MET C 1 1 74 5534 1 1 5 MET CA C -0.180 -4.628 0.204 1.00 . A A . 5 MET CA 1 1 74 5535 1 1 5 MET CB C -1.517 -4.382 0.906 1.00 . A A . 5 MET CB 1 1 74 5536 1 1 5 MET CE C -4.671 -1.772 0.215 1.00 . A A . 5 MET CE 1 1 74 5537 1 1 5 MET CG C -2.353 -3.285 0.263 1.00 . A A . 5 MET CG 1 1 74 5538 1 1 5 MET H H -0.045 -2.572 -0.292 1.00 . A A . 5 MET H 1 1 74 5539 1 1 5 MET HA H 0.456 -5.209 0.853 1.00 . A A . 5 MET HA 1 1 74 5540 1 1 5 MET HB2 H -2.092 -5.296 0.894 1.00 . A A . 5 MET HB2 1 1 74 5541 1 1 5 MET HB3 H -1.325 -4.102 1.932 1.00 . A A . 5 MET HB3 1 1 74 5542 1 1 5 MET HE1 H -4.571 -1.653 -0.854 1.00 . A A . 5 MET HE1 1 1 74 5543 1 1 5 MET HE2 H -4.081 -1.020 0.717 1.00 . A A . 5 MET HE2 1 1 74 5544 1 1 5 MET HE3 H -5.709 -1.658 0.493 1.00 . A A . 5 MET HE3 1 1 74 5545 1 1 5 MET HG2 H -1.978 -2.327 0.590 1.00 . A A . 5 MET HG2 1 1 74 5546 1 1 5 MET HG3 H -2.254 -3.360 -0.810 1.00 . A A . 5 MET HG3 1 1 74 5547 1 1 5 MET N N 0.491 -3.361 -0.066 1.00 . A A . 5 MET N 1 1 74 5548 1 1 5 MET O O -1.050 -4.857 -2.006 1.00 . A A . 5 MET O 1 1 74 5549 1 1 5 MET OXT O 0.058 -6.565 -1.169 1.00 . A A . 5 MET OXT 1 1 74 5550 1 1 5 MET SD S -4.099 -3.400 0.693 1.00 . A A . 5 MET SD 1 1 75 5551 1 1 1 TYR C C 1.503 3.255 -1.667 1.00 . A A . 1 TYR C 1 1 75 5552 1 1 1 TYR CA C 1.895 3.574 -0.228 1.00 . A A . 1 TYR CA 1 1 75 5553 1 1 1 TYR CB C 1.093 4.771 0.285 1.00 . A A . 1 TYR CB 1 1 75 5554 1 1 1 TYR CD1 C -0.608 3.451 1.602 1.00 . A A . 1 TYR CD1 1 1 75 5555 1 1 1 TYR CD2 C -1.401 5.085 0.058 1.00 . A A . 1 TYR CD2 1 1 75 5556 1 1 1 TYR CE1 C -1.908 3.131 1.939 1.00 . A A . 1 TYR CE1 1 1 75 5557 1 1 1 TYR CE2 C -2.704 4.771 0.391 1.00 . A A . 1 TYR CE2 1 1 75 5558 1 1 1 TYR CG C -0.331 4.431 0.658 1.00 . A A . 1 TYR CG 1 1 75 5559 1 1 1 TYR CZ C -2.953 3.795 1.331 1.00 . A A . 1 TYR CZ 1 1 75 5560 1 1 1 TYR H1 H 3.601 3.864 0.883 1.00 . A A . 1 TYR H1 1 1 75 5561 1 1 1 TYR H2 H 3.487 4.843 -0.522 1.00 . A A . 1 TYR H2 1 1 75 5562 1 1 1 TYR H3 H 3.865 3.174 -0.663 1.00 . A A . 1 TYR H3 1 1 75 5563 1 1 1 TYR HA H 1.685 2.714 0.391 1.00 . A A . 1 TYR HA 1 1 75 5564 1 1 1 TYR HB2 H 1.579 5.174 1.160 1.00 . A A . 1 TYR HB2 1 1 75 5565 1 1 1 TYR HB3 H 1.062 5.528 -0.486 1.00 . A A . 1 TYR HB3 1 1 75 5566 1 1 1 TYR HD1 H 0.213 2.934 2.077 1.00 . A A . 1 TYR HD1 1 1 75 5567 1 1 1 TYR HD2 H -1.202 5.848 -0.679 1.00 . A A . 1 TYR HD2 1 1 75 5568 1 1 1 TYR HE1 H -2.103 2.365 2.674 1.00 . A A . 1 TYR HE1 1 1 75 5569 1 1 1 TYR HE2 H -3.521 5.290 -0.087 1.00 . A A . 1 TYR HE2 1 1 75 5570 1 1 1 TYR HH H -4.705 3.134 0.892 1.00 . A A . 1 TYR HH 1 1 75 5571 1 1 1 TYR N N 3.343 3.892 -0.123 1.00 . A A . 1 TYR N 1 1 75 5572 1 1 1 TYR O O 2.326 3.332 -2.578 1.00 . A A . 1 TYR O 1 1 75 5573 1 1 1 TYR OH O -4.250 3.479 1.664 1.00 . A A . 1 TYR OH 1 1 75 5574 1 1 2 GLY C C 0.431 1.344 -3.763 1.00 . A A . 2 GLY C 1 1 75 5575 1 1 2 GLY CA C -0.247 2.571 -3.188 1.00 . A A . 2 GLY CA 1 1 75 5576 1 1 2 GLY H H -0.371 2.854 -1.097 1.00 . A A . 2 GLY H 1 1 75 5577 1 1 2 GLY HA2 H -1.310 2.390 -3.134 1.00 . A A . 2 GLY HA2 1 1 75 5578 1 1 2 GLY HA3 H -0.067 3.410 -3.844 1.00 . A A . 2 GLY HA3 1 1 75 5579 1 1 2 GLY N N 0.238 2.898 -1.862 1.00 . A A . 2 GLY N 1 1 75 5580 1 1 2 GLY O O 1.177 1.436 -4.739 1.00 . A A . 2 GLY O 1 1 75 5581 1 1 3 GLY C C 1.595 -1.735 -2.548 1.00 . A A . 3 GLY C 1 1 75 5582 1 1 3 GLY CA C 0.767 -1.049 -3.618 1.00 . A A . 3 GLY CA 1 1 75 5583 1 1 3 GLY H H -0.432 0.186 -2.380 1.00 . A A . 3 GLY H 1 1 75 5584 1 1 3 GLY HA2 H -0.023 -1.718 -3.925 1.00 . A A . 3 GLY HA2 1 1 75 5585 1 1 3 GLY HA3 H 1.398 -0.837 -4.468 1.00 . A A . 3 GLY HA3 1 1 75 5586 1 1 3 GLY N N 0.170 0.193 -3.154 1.00 . A A . 3 GLY N 1 1 75 5587 1 1 3 GLY O O 2.341 -2.672 -2.837 1.00 . A A . 3 GLY O 1 1 75 5588 1 1 4 PHE C C 1.666 -3.245 0.123 1.00 . A A . 4 PHE C 1 1 75 5589 1 1 4 PHE CA C 2.191 -1.850 -0.190 1.00 . A A . 4 PHE CA 1 1 75 5590 1 1 4 PHE CB C 2.052 -0.958 1.045 1.00 . A A . 4 PHE CB 1 1 75 5591 1 1 4 PHE CD1 C -0.227 0.093 0.927 1.00 . A A . 4 PHE CD1 1 1 75 5592 1 1 4 PHE CD2 C 0.165 -1.581 2.579 1.00 . A A . 4 PHE CD2 1 1 75 5593 1 1 4 PHE CE1 C -1.529 0.227 1.365 1.00 . A A . 4 PHE CE1 1 1 75 5594 1 1 4 PHE CE2 C -1.138 -1.451 3.023 1.00 . A A . 4 PHE CE2 1 1 75 5595 1 1 4 PHE CG C 0.635 -0.812 1.527 1.00 . A A . 4 PHE CG 1 1 75 5596 1 1 4 PHE CZ C -1.987 -0.546 2.415 1.00 . A A . 4 PHE CZ 1 1 75 5597 1 1 4 PHE H H 0.848 -0.531 -1.144 1.00 . A A . 4 PHE H 1 1 75 5598 1 1 4 PHE HA H 3.232 -1.917 -0.466 1.00 . A A . 4 PHE HA 1 1 75 5599 1 1 4 PHE HB2 H 2.632 -1.379 1.850 1.00 . A A . 4 PHE HB2 1 1 75 5600 1 1 4 PHE HB3 H 2.428 0.027 0.812 1.00 . A A . 4 PHE HB3 1 1 75 5601 1 1 4 PHE HD1 H 0.128 0.701 0.108 1.00 . A A . 4 PHE HD1 1 1 75 5602 1 1 4 PHE HD2 H 0.827 -2.289 3.055 1.00 . A A . 4 PHE HD2 1 1 75 5603 1 1 4 PHE HE1 H -2.190 0.935 0.886 1.00 . A A . 4 PHE HE1 1 1 75 5604 1 1 4 PHE HE2 H -1.493 -2.057 3.844 1.00 . A A . 4 PHE HE2 1 1 75 5605 1 1 4 PHE HZ H -3.005 -0.442 2.760 1.00 . A A . 4 PHE HZ 1 1 75 5606 1 1 4 PHE N N 1.459 -1.273 -1.311 1.00 . A A . 4 PHE N 1 1 75 5607 1 1 4 PHE O O 2.435 -4.170 0.386 1.00 . A A . 4 PHE O 1 1 75 5608 1 1 5 MET C C -0.429 -5.491 -0.905 1.00 . A A . 5 MET C 1 1 75 5609 1 1 5 MET CA C -0.301 -4.656 0.365 1.00 . A A . 5 MET CA 1 1 75 5610 1 1 5 MET CB C -1.683 -4.432 0.990 1.00 . A A . 5 MET CB 1 1 75 5611 1 1 5 MET CE C -2.769 -1.527 -1.729 1.00 . A A . 5 MET CE 1 1 75 5612 1 1 5 MET CG C -2.444 -3.236 0.427 1.00 . A A . 5 MET CG 1 1 75 5613 1 1 5 MET H H -0.202 -2.602 -0.128 1.00 . A A . 5 MET H 1 1 75 5614 1 1 5 MET HA H 0.316 -5.192 1.070 1.00 . A A . 5 MET HA 1 1 75 5615 1 1 5 MET HB2 H -2.282 -5.314 0.832 1.00 . A A . 5 MET HB2 1 1 75 5616 1 1 5 MET HB3 H -1.558 -4.279 2.050 1.00 . A A . 5 MET HB3 1 1 75 5617 1 1 5 MET HE1 H -3.687 -1.163 -1.292 1.00 . A A . 5 MET HE1 1 1 75 5618 1 1 5 MET HE2 H -2.796 -1.379 -2.798 1.00 . A A . 5 MET HE2 1 1 75 5619 1 1 5 MET HE3 H -1.933 -0.984 -1.311 1.00 . A A . 5 MET HE3 1 1 75 5620 1 1 5 MET HG2 H -3.437 -3.230 0.850 1.00 . A A . 5 MET HG2 1 1 75 5621 1 1 5 MET HG3 H -1.929 -2.332 0.716 1.00 . A A . 5 MET HG3 1 1 75 5622 1 1 5 MET N N 0.347 -3.381 0.088 1.00 . A A . 5 MET N 1 1 75 5623 1 1 5 MET O O -0.913 -6.638 -0.811 1.00 . A A . 5 MET O 1 1 75 5624 1 1 5 MET OXT O -0.045 -4.990 -1.983 1.00 . A A . 5 MET OXT 1 1 75 5625 1 1 5 MET SD S -2.586 -3.272 -1.370 1.00 . A A . 5 MET SD 1 1 76 5626 1 1 1 TYR C C 1.319 3.663 -2.080 1.00 . A A . 1 TYR C 1 1 76 5627 1 1 1 TYR CA C 2.012 4.022 -0.769 1.00 . A A . 1 TYR CA 1 1 76 5628 1 1 1 TYR CB C 1.140 4.983 0.040 1.00 . A A . 1 TYR CB 1 1 76 5629 1 1 1 TYR CD1 C 0.224 3.282 1.666 1.00 . A A . 1 TYR CD1 1 1 76 5630 1 1 1 TYR CD2 C -1.320 4.686 0.513 1.00 . A A . 1 TYR CD2 1 1 76 5631 1 1 1 TYR CE1 C -0.824 2.656 2.315 1.00 . A A . 1 TYR CE1 1 1 76 5632 1 1 1 TYR CE2 C -2.373 4.066 1.160 1.00 . A A . 1 TYR CE2 1 1 76 5633 1 1 1 TYR CG C -0.007 4.306 0.756 1.00 . A A . 1 TYR CG 1 1 76 5634 1 1 1 TYR CZ C -2.119 3.052 2.058 1.00 . A A . 1 TYR CZ 1 1 76 5635 1 1 1 TYR H1 H 3.196 5.376 -1.768 1.00 . A A . 1 TYR H1 1 1 76 5636 1 1 1 TYR H2 H 3.996 3.927 -1.308 1.00 . A A . 1 TYR H2 1 1 76 5637 1 1 1 TYR H3 H 3.630 5.121 -0.130 1.00 . A A . 1 TYR H3 1 1 76 5638 1 1 1 TYR HA H 2.174 3.121 -0.197 1.00 . A A . 1 TYR HA 1 1 76 5639 1 1 1 TYR HB2 H 1.749 5.475 0.783 1.00 . A A . 1 TYR HB2 1 1 76 5640 1 1 1 TYR HB3 H 0.723 5.724 -0.625 1.00 . A A . 1 TYR HB3 1 1 76 5641 1 1 1 TYR HD1 H 1.240 2.975 1.866 1.00 . A A . 1 TYR HD1 1 1 76 5642 1 1 1 TYR HD2 H -1.516 5.479 -0.192 1.00 . A A . 1 TYR HD2 1 1 76 5643 1 1 1 TYR HE1 H -0.625 1.861 3.017 1.00 . A A . 1 TYR HE1 1 1 76 5644 1 1 1 TYR HE2 H -3.387 4.374 0.957 1.00 . A A . 1 TYR HE2 1 1 76 5645 1 1 1 TYR HH H -3.891 2.308 2.089 1.00 . A A . 1 TYR HH 1 1 76 5646 1 1 1 TYR N N 3.328 4.669 -1.016 1.00 . A A . 1 TYR N 1 1 76 5647 1 1 1 TYR O O 1.820 3.966 -3.162 1.00 . A A . 1 TYR O 1 1 76 5648 1 1 1 TYR OH O -3.164 2.432 2.704 1.00 . A A . 1 TYR OH 1 1 76 5649 1 1 2 GLY C C -0.208 1.243 -3.658 1.00 . A A . 2 GLY C 1 1 76 5650 1 1 2 GLY CA C -0.583 2.625 -3.153 1.00 . A A . 2 GLY CA 1 1 76 5651 1 1 2 GLY H H -0.185 2.802 -1.084 1.00 . A A . 2 GLY H 1 1 76 5652 1 1 2 GLY HA2 H -1.636 2.633 -2.914 1.00 . A A . 2 GLY HA2 1 1 76 5653 1 1 2 GLY HA3 H -0.397 3.345 -3.936 1.00 . A A . 2 GLY HA3 1 1 76 5654 1 1 2 GLY N N 0.164 3.015 -1.972 1.00 . A A . 2 GLY N 1 1 76 5655 1 1 2 GLY O O -0.816 0.737 -4.601 1.00 . A A . 2 GLY O 1 1 76 5656 1 1 3 GLY C C 1.866 -1.479 -2.318 1.00 . A A . 3 GLY C 1 1 76 5657 1 1 3 GLY CA C 1.220 -0.696 -3.445 1.00 . A A . 3 GLY CA 1 1 76 5658 1 1 3 GLY H H 1.244 1.076 -2.286 1.00 . A A . 3 GLY H 1 1 76 5659 1 1 3 GLY HA2 H 0.360 -1.245 -3.799 1.00 . A A . 3 GLY HA2 1 1 76 5660 1 1 3 GLY HA3 H 1.931 -0.599 -4.253 1.00 . A A . 3 GLY HA3 1 1 76 5661 1 1 3 GLY N N 0.793 0.628 -3.032 1.00 . A A . 3 GLY N 1 1 76 5662 1 1 3 GLY O O 2.639 -2.405 -2.560 1.00 . A A . 3 GLY O 1 1 76 5663 1 1 4 PHE C C 1.515 -3.190 0.210 1.00 . A A . 4 PHE C 1 1 76 5664 1 1 4 PHE CA C 2.092 -1.785 0.084 1.00 . A A . 4 PHE CA 1 1 76 5665 1 1 4 PHE CB C 1.790 -0.983 1.352 1.00 . A A . 4 PHE CB 1 1 76 5666 1 1 4 PHE CD1 C -0.515 -0.029 1.066 1.00 . A A . 4 PHE CD1 1 1 76 5667 1 1 4 PHE CD2 C -0.199 -1.769 2.665 1.00 . A A . 4 PHE CD2 1 1 76 5668 1 1 4 PHE CE1 C -1.859 0.025 1.385 1.00 . A A . 4 PHE CE1 1 1 76 5669 1 1 4 PHE CE2 C -1.542 -1.719 2.989 1.00 . A A . 4 PHE CE2 1 1 76 5670 1 1 4 PHE CG C 0.329 -0.926 1.701 1.00 . A A . 4 PHE CG 1 1 76 5671 1 1 4 PHE CZ C -2.373 -0.821 2.348 1.00 . A A . 4 PHE CZ 1 1 76 5672 1 1 4 PHE H H 0.920 -0.366 -0.955 1.00 . A A . 4 PHE H 1 1 76 5673 1 1 4 PHE HA H 3.162 -1.856 -0.043 1.00 . A A . 4 PHE HA 1 1 76 5674 1 1 4 PHE HB2 H 2.311 -1.432 2.185 1.00 . A A . 4 PHE HB2 1 1 76 5675 1 1 4 PHE HB3 H 2.141 0.030 1.219 1.00 . A A . 4 PHE HB3 1 1 76 5676 1 1 4 PHE HD1 H -0.116 0.634 0.313 1.00 . A A . 4 PHE HD1 1 1 76 5677 1 1 4 PHE HD2 H 0.449 -2.473 3.167 1.00 . A A . 4 PHE HD2 1 1 76 5678 1 1 4 PHE HE1 H -2.506 0.729 0.882 1.00 . A A . 4 PHE HE1 1 1 76 5679 1 1 4 PHE HE2 H -1.942 -2.383 3.742 1.00 . A A . 4 PHE HE2 1 1 76 5680 1 1 4 PHE HZ H -3.423 -0.781 2.600 1.00 . A A . 4 PHE HZ 1 1 76 5681 1 1 4 PHE N N 1.544 -1.109 -1.083 1.00 . A A . 4 PHE N 1 1 76 5682 1 1 4 PHE O O 2.237 -4.153 0.471 1.00 . A A . 4 PHE O 1 1 76 5683 1 1 5 MET C C -0.416 -5.325 -1.216 1.00 . A A . 5 MET C 1 1 76 5684 1 1 5 MET CA C -0.485 -4.573 0.110 1.00 . A A . 5 MET CA 1 1 76 5685 1 1 5 MET CB C -1.947 -4.369 0.524 1.00 . A A . 5 MET CB 1 1 76 5686 1 1 5 MET CE C -2.275 -1.273 -2.099 1.00 . A A . 5 MET CE 1 1 76 5687 1 1 5 MET CG C -2.604 -3.128 -0.067 1.00 . A A . 5 MET CG 1 1 76 5688 1 1 5 MET H H -0.307 -2.485 -0.184 1.00 . A A . 5 MET H 1 1 76 5689 1 1 5 MET HA H 0.013 -5.161 0.866 1.00 . A A . 5 MET HA 1 1 76 5690 1 1 5 MET HB2 H -2.518 -5.230 0.214 1.00 . A A . 5 MET HB2 1 1 76 5691 1 1 5 MET HB3 H -1.991 -4.291 1.600 1.00 . A A . 5 MET HB3 1 1 76 5692 1 1 5 MET HE1 H -3.252 -0.815 -2.149 1.00 . A A . 5 MET HE1 1 1 76 5693 1 1 5 MET HE2 H -1.743 -1.085 -3.020 1.00 . A A . 5 MET HE2 1 1 76 5694 1 1 5 MET HE3 H -1.724 -0.853 -1.271 1.00 . A A . 5 MET HE3 1 1 76 5695 1 1 5 MET HG2 H -3.652 -3.136 0.190 1.00 . A A . 5 MET HG2 1 1 76 5696 1 1 5 MET HG3 H -2.138 -2.252 0.362 1.00 . A A . 5 MET HG3 1 1 76 5697 1 1 5 MET N N 0.206 -3.292 0.021 1.00 . A A . 5 MET N 1 1 76 5698 1 1 5 MET O O -1.324 -6.141 -1.481 1.00 . A A . 5 MET O 1 1 76 5699 1 1 5 MET OXT O 0.545 -5.090 -1.978 1.00 . A A . 5 MET OXT 1 1 76 5700 1 1 5 MET SD S -2.455 -3.039 -1.862 1.00 . A A . 5 MET SD 1 1 77 5701 1 1 1 TYR C C 1.830 3.295 -1.498 1.00 . A A . 1 TYR C 1 1 77 5702 1 1 1 TYR CA C 1.878 3.399 0.023 1.00 . A A . 1 TYR CA 1 1 77 5703 1 1 1 TYR CB C 1.055 4.598 0.495 1.00 . A A . 1 TYR CB 1 1 77 5704 1 1 1 TYR CD1 C -0.912 3.426 1.559 1.00 . A A . 1 TYR CD1 1 1 77 5705 1 1 1 TYR CD2 C -1.336 4.930 -0.241 1.00 . A A . 1 TYR CD2 1 1 77 5706 1 1 1 TYR CE1 C -2.264 3.162 1.664 1.00 . A A . 1 TYR CE1 1 1 77 5707 1 1 1 TYR CE2 C -2.690 4.672 -0.143 1.00 . A A . 1 TYR CE2 1 1 77 5708 1 1 1 TYR CG C -0.425 4.313 0.608 1.00 . A A . 1 TYR CG 1 1 77 5709 1 1 1 TYR CZ C -3.149 3.788 0.810 1.00 . A A . 1 TYR CZ 1 1 77 5710 1 1 1 TYR H1 H 3.275 3.393 1.532 1.00 . A A . 1 TYR H1 1 1 77 5711 1 1 1 TYR H2 H 3.574 4.533 0.285 1.00 . A A . 1 TYR H2 1 1 77 5712 1 1 1 TYR H3 H 3.864 2.864 0.012 1.00 . A A . 1 TYR H3 1 1 77 5713 1 1 1 TYR HA H 1.469 2.495 0.451 1.00 . A A . 1 TYR HA 1 1 77 5714 1 1 1 TYR HB2 H 1.407 4.907 1.468 1.00 . A A . 1 TYR HB2 1 1 77 5715 1 1 1 TYR HB3 H 1.185 5.411 -0.203 1.00 . A A . 1 TYR HB3 1 1 77 5716 1 1 1 TYR HD1 H -0.216 2.937 2.225 1.00 . A A . 1 TYR HD1 1 1 77 5717 1 1 1 TYR HD2 H -0.974 5.621 -0.986 1.00 . A A . 1 TYR HD2 1 1 77 5718 1 1 1 TYR HE1 H -2.623 2.468 2.409 1.00 . A A . 1 TYR HE1 1 1 77 5719 1 1 1 TYR HE2 H -3.382 5.161 -0.811 1.00 . A A . 1 TYR HE2 1 1 77 5720 1 1 1 TYR HH H -4.792 3.057 0.130 1.00 . A A . 1 TYR HH 1 1 77 5721 1 1 1 TYR N N 3.274 3.562 0.506 1.00 . A A . 1 TYR N 1 1 77 5722 1 1 1 TYR O O 2.849 3.435 -2.173 1.00 . A A . 1 TYR O 1 1 77 5723 1 1 1 TYR OH O -4.496 3.528 0.912 1.00 . A A . 1 TYR OH 1 1 77 5724 1 1 2 GLY C C 1.052 1.637 -4.009 1.00 . A A . 2 GLY C 1 1 77 5725 1 1 2 GLY CA C 0.476 2.929 -3.467 1.00 . A A . 2 GLY CA 1 1 77 5726 1 1 2 GLY H H -0.139 2.945 -1.442 1.00 . A A . 2 GLY H 1 1 77 5727 1 1 2 GLY HA2 H -0.577 2.968 -3.703 1.00 . A A . 2 GLY HA2 1 1 77 5728 1 1 2 GLY HA3 H 0.973 3.761 -3.944 1.00 . A A . 2 GLY HA3 1 1 77 5729 1 1 2 GLY N N 0.637 3.048 -2.030 1.00 . A A . 2 GLY N 1 1 77 5730 1 1 2 GLY O O 1.765 1.639 -5.013 1.00 . A A . 2 GLY O 1 1 77 5731 1 1 3 GLY C C 2.051 -1.455 -2.700 1.00 . A A . 3 GLY C 1 1 77 5732 1 1 3 GLY CA C 1.239 -0.764 -3.774 1.00 . A A . 3 GLY CA 1 1 77 5733 1 1 3 GLY H H 0.168 0.593 -2.549 1.00 . A A . 3 GLY H 1 1 77 5734 1 1 3 GLY HA2 H 0.397 -1.393 -4.027 1.00 . A A . 3 GLY HA2 1 1 77 5735 1 1 3 GLY HA3 H 1.855 -0.631 -4.650 1.00 . A A . 3 GLY HA3 1 1 77 5736 1 1 3 GLY N N 0.740 0.530 -3.342 1.00 . A A . 3 GLY N 1 1 77 5737 1 1 3 GLY O O 3.181 -1.883 -2.938 1.00 . A A . 3 GLY O 1 1 77 5738 1 1 4 PHE C C 1.452 -3.531 -0.069 1.00 . A A . 4 PHE C 1 1 77 5739 1 1 4 PHE CA C 2.123 -2.204 -0.386 1.00 . A A . 4 PHE CA 1 1 77 5740 1 1 4 PHE CB C 2.064 -1.291 0.836 1.00 . A A . 4 PHE CB 1 1 77 5741 1 1 4 PHE CD1 C 0.023 0.115 0.446 1.00 . A A . 4 PHE CD1 1 1 77 5742 1 1 4 PHE CD2 C 0.012 -1.412 2.277 1.00 . A A . 4 PHE CD2 1 1 77 5743 1 1 4 PHE CE1 C -1.257 0.518 0.769 1.00 . A A . 4 PHE CE1 1 1 77 5744 1 1 4 PHE CE2 C -1.270 -1.012 2.606 1.00 . A A . 4 PHE CE2 1 1 77 5745 1 1 4 PHE CG C 0.671 -0.853 1.194 1.00 . A A . 4 PHE CG 1 1 77 5746 1 1 4 PHE CZ C -1.905 -0.046 1.850 1.00 . A A . 4 PHE CZ 1 1 77 5747 1 1 4 PHE H H 0.568 -1.201 -1.397 1.00 . A A . 4 PHE H 1 1 77 5748 1 1 4 PHE HA H 3.155 -2.381 -0.649 1.00 . A A . 4 PHE HA 1 1 77 5749 1 1 4 PHE HB2 H 2.475 -1.812 1.684 1.00 . A A . 4 PHE HB2 1 1 77 5750 1 1 4 PHE HB3 H 2.649 -0.408 0.640 1.00 . A A . 4 PHE HB3 1 1 77 5751 1 1 4 PHE HD1 H 0.528 0.557 -0.400 1.00 . A A . 4 PHE HD1 1 1 77 5752 1 1 4 PHE HD2 H 0.507 -2.167 2.868 1.00 . A A . 4 PHE HD2 1 1 77 5753 1 1 4 PHE HE1 H -1.751 1.274 0.174 1.00 . A A . 4 PHE HE1 1 1 77 5754 1 1 4 PHE HE2 H -1.774 -1.455 3.452 1.00 . A A . 4 PHE HE2 1 1 77 5755 1 1 4 PHE HZ H -2.907 0.269 2.104 1.00 . A A . 4 PHE HZ 1 1 77 5756 1 1 4 PHE N N 1.467 -1.563 -1.515 1.00 . A A . 4 PHE N 1 1 77 5757 1 1 4 PHE O O 2.112 -4.514 0.268 1.00 . A A . 4 PHE O 1 1 77 5758 1 1 5 MET C C -0.389 -5.815 -0.957 1.00 . A A . 5 MET C 1 1 77 5759 1 1 5 MET CA C -0.654 -4.740 0.092 1.00 . A A . 5 MET CA 1 1 77 5760 1 1 5 MET CB C -2.145 -4.401 0.124 1.00 . A A . 5 MET CB 1 1 77 5761 1 1 5 MET CE C -4.543 -1.628 1.964 1.00 . A A . 5 MET CE 1 1 77 5762 1 1 5 MET CG C -2.495 -3.279 1.089 1.00 . A A . 5 MET CG 1 1 77 5763 1 1 5 MET H H -0.326 -2.719 -0.453 1.00 . A A . 5 MET H 1 1 77 5764 1 1 5 MET HA H -0.359 -5.118 1.060 1.00 . A A . 5 MET HA 1 1 77 5765 1 1 5 MET HB2 H -2.457 -4.104 -0.867 1.00 . A A . 5 MET HB2 1 1 77 5766 1 1 5 MET HB3 H -2.698 -5.283 0.415 1.00 . A A . 5 MET HB3 1 1 77 5767 1 1 5 MET HE1 H -3.986 -1.302 2.829 1.00 . A A . 5 MET HE1 1 1 77 5768 1 1 5 MET HE2 H -5.600 -1.495 2.143 1.00 . A A . 5 MET HE2 1 1 77 5769 1 1 5 MET HE3 H -4.247 -1.046 1.103 1.00 . A A . 5 MET HE3 1 1 77 5770 1 1 5 MET HG2 H -1.844 -3.345 1.947 1.00 . A A . 5 MET HG2 1 1 77 5771 1 1 5 MET HG3 H -2.340 -2.332 0.592 1.00 . A A . 5 MET HG3 1 1 77 5772 1 1 5 MET N N 0.131 -3.542 -0.180 1.00 . A A . 5 MET N 1 1 77 5773 1 1 5 MET O O -1.271 -6.676 -1.156 1.00 . A A . 5 MET O 1 1 77 5774 1 1 5 MET OXT O 0.699 -5.785 -1.571 1.00 . A A . 5 MET OXT 1 1 77 5775 1 1 5 MET SD S -4.205 -3.361 1.657 1.00 . A A . 5 MET SD 1 1 78 5776 1 1 1 TYR C C 1.773 3.246 -1.508 1.00 . A A . 1 TYR C 1 1 78 5777 1 1 1 TYR CA C 1.874 3.399 0.006 1.00 . A A . 1 TYR CA 1 1 78 5778 1 1 1 TYR CB C 1.042 4.594 0.472 1.00 . A A . 1 TYR CB 1 1 78 5779 1 1 1 TYR CD1 C -0.874 3.441 1.643 1.00 . A A . 1 TYR CD1 1 1 78 5780 1 1 1 TYR CD2 C -1.371 4.835 -0.224 1.00 . A A . 1 TYR CD2 1 1 78 5781 1 1 1 TYR CE1 C -2.217 3.155 1.793 1.00 . A A . 1 TYR CE1 1 1 78 5782 1 1 1 TYR CE2 C -2.716 4.555 -0.081 1.00 . A A . 1 TYR CE2 1 1 78 5783 1 1 1 TYR CG C -0.428 4.285 0.635 1.00 . A A . 1 TYR CG 1 1 78 5784 1 1 1 TYR CZ C -3.134 3.714 0.929 1.00 . A A . 1 TYR CZ 1 1 78 5785 1 1 1 TYR H1 H 3.843 2.806 0.078 1.00 . A A . 1 TYR H1 1 1 78 5786 1 1 1 TYR H2 H 3.297 3.643 1.473 1.00 . A A . 1 TYR H2 1 1 78 5787 1 1 1 TYR H3 H 3.610 4.503 0.020 1.00 . A A . 1 TYR H3 1 1 78 5788 1 1 1 TYR HA H 1.502 2.501 0.477 1.00 . A A . 1 TYR HA 1 1 78 5789 1 1 1 TYR HB2 H 1.417 4.934 1.427 1.00 . A A . 1 TYR HB2 1 1 78 5790 1 1 1 TYR HB3 H 1.137 5.392 -0.250 1.00 . A A . 1 TYR HB3 1 1 78 5791 1 1 1 TYR HD1 H -0.153 3.003 2.319 1.00 . A A . 1 TYR HD1 1 1 78 5792 1 1 1 TYR HD2 H -1.041 5.493 -1.014 1.00 . A A . 1 TYR HD2 1 1 78 5793 1 1 1 TYR HE1 H -2.544 2.495 2.583 1.00 . A A . 1 TYR HE1 1 1 78 5794 1 1 1 TYR HE2 H -3.434 4.991 -0.759 1.00 . A A . 1 TYR HE2 1 1 78 5795 1 1 1 TYR HH H -4.883 4.101 1.628 1.00 . A A . 1 TYR HH 1 1 78 5796 1 1 1 TYR N N 3.283 3.606 0.432 1.00 . A A . 1 TYR N 1 1 78 5797 1 1 1 TYR O O 2.767 3.377 -2.223 1.00 . A A . 1 TYR O 1 1 78 5798 1 1 1 TYR OH O -4.473 3.433 1.075 1.00 . A A . 1 TYR OH 1 1 78 5799 1 1 2 GLY C C 0.960 1.512 -3.940 1.00 . A A . 2 GLY C 1 1 78 5800 1 1 2 GLY CA C 0.358 2.800 -3.416 1.00 . A A . 2 GLY CA 1 1 78 5801 1 1 2 GLY H H -0.187 2.872 -1.373 1.00 . A A . 2 GLY H 1 1 78 5802 1 1 2 GLY HA2 H -0.704 2.795 -3.614 1.00 . A A . 2 GLY HA2 1 1 78 5803 1 1 2 GLY HA3 H 0.808 3.633 -3.935 1.00 . A A . 2 GLY HA3 1 1 78 5804 1 1 2 GLY N N 0.567 2.967 -1.990 1.00 . A A . 2 GLY N 1 1 78 5805 1 1 2 GLY O O 1.752 1.527 -4.883 1.00 . A A . 2 GLY O 1 1 78 5806 1 1 3 GLY C C 1.999 -1.521 -2.702 1.00 . A A . 3 GLY C 1 1 78 5807 1 1 3 GLY CA C 1.101 -0.894 -3.746 1.00 . A A . 3 GLY CA 1 1 78 5808 1 1 3 GLY H H -0.050 0.449 -2.580 1.00 . A A . 3 GLY H 1 1 78 5809 1 1 3 GLY HA2 H 0.269 -1.559 -3.928 1.00 . A A . 3 GLY HA2 1 1 78 5810 1 1 3 GLY HA3 H 1.659 -0.771 -4.661 1.00 . A A . 3 GLY HA3 1 1 78 5811 1 1 3 GLY N N 0.584 0.395 -3.326 1.00 . A A . 3 GLY N 1 1 78 5812 1 1 3 GLY O O 3.105 -1.970 -3.005 1.00 . A A . 3 GLY O 1 1 78 5813 1 1 4 PHE C C 1.649 -3.459 0.049 1.00 . A A . 4 PHE C 1 1 78 5814 1 1 4 PHE CA C 2.258 -2.127 -0.358 1.00 . A A . 4 PHE CA 1 1 78 5815 1 1 4 PHE CB C 2.242 -1.171 0.833 1.00 . A A . 4 PHE CB 1 1 78 5816 1 1 4 PHE CD1 C 0.130 0.153 0.550 1.00 . A A . 4 PHE CD1 1 1 78 5817 1 1 4 PHE CD2 C 0.284 -1.349 2.394 1.00 . A A . 4 PHE CD2 1 1 78 5818 1 1 4 PHE CE1 C -1.144 0.512 0.943 1.00 . A A . 4 PHE CE1 1 1 78 5819 1 1 4 PHE CE2 C -0.990 -0.993 2.794 1.00 . A A . 4 PHE CE2 1 1 78 5820 1 1 4 PHE CG C 0.858 -0.780 1.268 1.00 . A A . 4 PHE CG 1 1 78 5821 1 1 4 PHE CZ C -1.706 -0.062 2.066 1.00 . A A . 4 PHE CZ 1 1 78 5822 1 1 4 PHE H H 0.625 -1.179 -1.302 1.00 . A A . 4 PHE H 1 1 78 5823 1 1 4 PHE HA H 3.277 -2.284 -0.677 1.00 . A A . 4 PHE HA 1 1 78 5824 1 1 4 PHE HB2 H 2.731 -1.642 1.669 1.00 . A A . 4 PHE HB2 1 1 78 5825 1 1 4 PHE HB3 H 2.774 -0.271 0.568 1.00 . A A . 4 PHE HB3 1 1 78 5826 1 1 4 PHE HD1 H 0.567 0.603 -0.330 1.00 . A A . 4 PHE HD1 1 1 78 5827 1 1 4 PHE HD2 H 0.843 -2.077 2.963 1.00 . A A . 4 PHE HD2 1 1 78 5828 1 1 4 PHE HE1 H -1.700 1.239 0.370 1.00 . A A . 4 PHE HE1 1 1 78 5829 1 1 4 PHE HE2 H -1.426 -1.444 3.673 1.00 . A A . 4 PHE HE2 1 1 78 5830 1 1 4 PHE HZ H -2.702 0.218 2.376 1.00 . A A . 4 PHE HZ 1 1 78 5831 1 1 4 PHE N N 1.514 -1.552 -1.469 1.00 . A A . 4 PHE N 1 1 78 5832 1 1 4 PHE O O 2.357 -4.412 0.375 1.00 . A A . 4 PHE O 1 1 78 5833 1 1 5 MET C C -0.796 -5.512 -0.848 1.00 . A A . 5 MET C 1 1 78 5834 1 1 5 MET CA C -0.410 -4.712 0.392 1.00 . A A . 5 MET CA 1 1 78 5835 1 1 5 MET CB C -1.662 -4.342 1.187 1.00 . A A . 5 MET CB 1 1 78 5836 1 1 5 MET CE C -4.875 -1.987 -0.063 1.00 . A A . 5 MET CE 1 1 78 5837 1 1 5 MET CG C -2.472 -3.217 0.559 1.00 . A A . 5 MET CG 1 1 78 5838 1 1 5 MET H H -0.173 -2.707 -0.243 1.00 . A A . 5 MET H 1 1 78 5839 1 1 5 MET HA H 0.234 -5.318 1.011 1.00 . A A . 5 MET HA 1 1 78 5840 1 1 5 MET HB2 H -2.295 -5.212 1.265 1.00 . A A . 5 MET HB2 1 1 78 5841 1 1 5 MET HB3 H -1.366 -4.031 2.178 1.00 . A A . 5 MET HB3 1 1 78 5842 1 1 5 MET HE1 H -5.631 -1.591 0.600 1.00 . A A . 5 MET HE1 1 1 78 5843 1 1 5 MET HE2 H -5.308 -2.165 -1.036 1.00 . A A . 5 MET HE2 1 1 78 5844 1 1 5 MET HE3 H -4.066 -1.277 -0.151 1.00 . A A . 5 MET HE3 1 1 78 5845 1 1 5 MET HG2 H -2.269 -2.303 1.097 1.00 . A A . 5 MET HG2 1 1 78 5846 1 1 5 MET HG3 H -2.165 -3.103 -0.469 1.00 . A A . 5 MET HG3 1 1 78 5847 1 1 5 MET N N 0.324 -3.507 0.027 1.00 . A A . 5 MET N 1 1 78 5848 1 1 5 MET O O -0.104 -6.506 -1.148 1.00 . A A . 5 MET O 1 1 78 5849 1 1 5 MET OXT O -1.788 -5.137 -1.507 1.00 . A A . 5 MET OXT 1 1 78 5850 1 1 5 MET SD S -4.247 -3.528 0.602 1.00 . A A . 5 MET SD 1 1 79 5851 1 1 1 TYR C C 1.734 3.288 -1.556 1.00 . A A . 1 TYR C 1 1 79 5852 1 1 1 TYR CA C 1.883 3.469 -0.049 1.00 . A A . 1 TYR CA 1 1 79 5853 1 1 1 TYR CB C 0.973 4.598 0.438 1.00 . A A . 1 TYR CB 1 1 79 5854 1 1 1 TYR CD1 C -0.724 3.532 1.975 1.00 . A A . 1 TYR CD1 1 1 79 5855 1 1 1 TYR CD2 C -1.471 4.340 -0.140 1.00 . A A . 1 TYR CD2 1 1 79 5856 1 1 1 TYR CE1 C -2.008 3.120 2.275 1.00 . A A . 1 TYR CE1 1 1 79 5857 1 1 1 TYR CE2 C -2.758 3.930 0.153 1.00 . A A . 1 TYR CE2 1 1 79 5858 1 1 1 TYR CG C -0.433 4.149 0.764 1.00 . A A . 1 TYR CG 1 1 79 5859 1 1 1 TYR CZ C -3.021 3.320 1.361 1.00 . A A . 1 TYR CZ 1 1 79 5860 1 1 1 TYR H1 H 3.372 3.713 1.350 1.00 . A A . 1 TYR H1 1 1 79 5861 1 1 1 TYR H2 H 3.474 4.771 0.003 1.00 . A A . 1 TYR H2 1 1 79 5862 1 1 1 TYR H3 H 3.906 3.120 -0.167 1.00 . A A . 1 TYR H3 1 1 79 5863 1 1 1 TYR HA H 1.604 2.550 0.445 1.00 . A A . 1 TYR HA 1 1 79 5864 1 1 1 TYR HB2 H 1.396 5.034 1.330 1.00 . A A . 1 TYR HB2 1 1 79 5865 1 1 1 TYR HB3 H 0.909 5.354 -0.331 1.00 . A A . 1 TYR HB3 1 1 79 5866 1 1 1 TYR HD1 H 0.072 3.376 2.689 1.00 . A A . 1 TYR HD1 1 1 79 5867 1 1 1 TYR HD2 H -1.262 4.816 -1.086 1.00 . A A . 1 TYR HD2 1 1 79 5868 1 1 1 TYR HE1 H -2.214 2.640 3.221 1.00 . A A . 1 TYR HE1 1 1 79 5869 1 1 1 TYR HE2 H -3.549 4.086 -0.563 1.00 . A A . 1 TYR HE2 1 1 79 5870 1 1 1 TYR HH H -4.710 2.544 0.871 1.00 . A A . 1 TYR HH 1 1 79 5871 1 1 1 TYR N N 3.285 3.797 0.317 1.00 . A A . 1 TYR N 1 1 79 5872 1 1 1 TYR O O 2.664 3.548 -2.319 1.00 . A A . 1 TYR O 1 1 79 5873 1 1 1 TYR OH O -4.301 2.912 1.658 1.00 . A A . 1 TYR OH 1 1 79 5874 1 1 2 GLY C C 0.990 1.400 -3.929 1.00 . A A . 2 GLY C 1 1 79 5875 1 1 2 GLY CA C 0.299 2.635 -3.388 1.00 . A A . 2 GLY CA 1 1 79 5876 1 1 2 GLY H H -0.147 2.654 -1.320 1.00 . A A . 2 GLY H 1 1 79 5877 1 1 2 GLY HA2 H -0.767 2.532 -3.536 1.00 . A A . 2 GLY HA2 1 1 79 5878 1 1 2 GLY HA3 H 0.646 3.499 -3.936 1.00 . A A . 2 GLY HA3 1 1 79 5879 1 1 2 GLY N N 0.555 2.842 -1.975 1.00 . A A . 2 GLY N 1 1 79 5880 1 1 2 GLY O O 1.866 1.496 -4.790 1.00 . A A . 2 GLY O 1 1 79 5881 1 1 3 GLY C C 1.831 -1.799 -2.746 1.00 . A A . 3 GLY C 1 1 79 5882 1 1 3 GLY CA C 1.192 -1.010 -3.875 1.00 . A A . 3 GLY CA 1 1 79 5883 1 1 3 GLY H H -0.109 0.223 -2.742 1.00 . A A . 3 GLY H 1 1 79 5884 1 1 3 GLY HA2 H 0.423 -1.619 -4.330 1.00 . A A . 3 GLY HA2 1 1 79 5885 1 1 3 GLY HA3 H 1.946 -0.789 -4.617 1.00 . A A . 3 GLY HA3 1 1 79 5886 1 1 3 GLY N N 0.595 0.236 -3.425 1.00 . A A . 3 GLY N 1 1 79 5887 1 1 3 GLY O O 2.450 -2.837 -2.981 1.00 . A A . 3 GLY O 1 1 79 5888 1 1 4 PHE C C 1.503 -3.280 -0.078 1.00 . A A . 4 PHE C 1 1 79 5889 1 1 4 PHE CA C 2.241 -1.979 -0.354 1.00 . A A . 4 PHE CA 1 1 79 5890 1 1 4 PHE CB C 2.162 -1.068 0.870 1.00 . A A . 4 PHE CB 1 1 79 5891 1 1 4 PHE CD1 C 0.023 0.234 0.654 1.00 . A A . 4 PHE CD1 1 1 79 5892 1 1 4 PHE CD2 C 0.179 -1.415 2.370 1.00 . A A . 4 PHE CD2 1 1 79 5893 1 1 4 PHE CE1 C -1.264 0.534 1.054 1.00 . A A . 4 PHE CE1 1 1 79 5894 1 1 4 PHE CE2 C -1.108 -1.119 2.775 1.00 . A A . 4 PHE CE2 1 1 79 5895 1 1 4 PHE CG C 0.759 -0.743 1.305 1.00 . A A . 4 PHE CG 1 1 79 5896 1 1 4 PHE CZ C -1.831 -0.142 2.116 1.00 . A A . 4 PHE CZ 1 1 79 5897 1 1 4 PHE H H 1.173 -0.483 -1.395 1.00 . A A . 4 PHE H 1 1 79 5898 1 1 4 PHE HA H 3.277 -2.202 -0.563 1.00 . A A . 4 PHE HA 1 1 79 5899 1 1 4 PHE HB2 H 2.656 -1.549 1.696 1.00 . A A . 4 PHE HB2 1 1 79 5900 1 1 4 PHE HB3 H 2.662 -0.139 0.648 1.00 . A A . 4 PHE HB3 1 1 79 5901 1 1 4 PHE HD1 H 0.464 0.765 -0.176 1.00 . A A . 4 PHE HD1 1 1 79 5902 1 1 4 PHE HD2 H 0.744 -2.178 2.884 1.00 . A A . 4 PHE HD2 1 1 79 5903 1 1 4 PHE HE1 H -1.826 1.298 0.537 1.00 . A A . 4 PHE HE1 1 1 79 5904 1 1 4 PHE HE2 H -1.549 -1.649 3.606 1.00 . A A . 4 PHE HE2 1 1 79 5905 1 1 4 PHE HZ H -2.837 0.091 2.432 1.00 . A A . 4 PHE HZ 1 1 79 5906 1 1 4 PHE N N 1.678 -1.310 -1.520 1.00 . A A . 4 PHE N 1 1 79 5907 1 1 4 PHE O O 2.104 -4.289 0.291 1.00 . A A . 4 PHE O 1 1 79 5908 1 1 5 MET C C -0.354 -5.495 -1.074 1.00 . A A . 5 MET C 1 1 79 5909 1 1 5 MET CA C -0.649 -4.412 -0.042 1.00 . A A . 5 MET CA 1 1 79 5910 1 1 5 MET CB C -2.129 -4.025 -0.111 1.00 . A A . 5 MET CB 1 1 79 5911 1 1 5 MET CE C -4.447 -1.085 0.030 1.00 . A A . 5 MET CE 1 1 79 5912 1 1 5 MET CG C -2.511 -2.898 0.832 1.00 . A A . 5 MET CG 1 1 79 5913 1 1 5 MET H H -0.216 -2.402 -0.557 1.00 . A A . 5 MET H 1 1 79 5914 1 1 5 MET HA H -0.431 -4.798 0.942 1.00 . A A . 5 MET HA 1 1 79 5915 1 1 5 MET HB2 H -2.361 -3.717 -1.119 1.00 . A A . 5 MET HB2 1 1 79 5916 1 1 5 MET HB3 H -2.727 -4.891 0.137 1.00 . A A . 5 MET HB3 1 1 79 5917 1 1 5 MET HE1 H -5.177 -1.191 -0.758 1.00 . A A . 5 MET HE1 1 1 79 5918 1 1 5 MET HE2 H -3.492 -0.818 -0.397 1.00 . A A . 5 MET HE2 1 1 79 5919 1 1 5 MET HE3 H -4.765 -0.312 0.713 1.00 . A A . 5 MET HE3 1 1 79 5920 1 1 5 MET HG2 H -2.153 -3.137 1.822 1.00 . A A . 5 MET HG2 1 1 79 5921 1 1 5 MET HG3 H -2.042 -1.987 0.490 1.00 . A A . 5 MET HG3 1 1 79 5922 1 1 5 MET N N 0.193 -3.242 -0.264 1.00 . A A . 5 MET N 1 1 79 5923 1 1 5 MET O O -0.964 -5.454 -2.164 1.00 . A A . 5 MET O 1 1 79 5924 1 1 5 MET OXT O 0.484 -6.375 -0.786 1.00 . A A . 5 MET OXT 1 1 79 5925 1 1 5 MET SD S -4.294 -2.636 0.913 1.00 . A A . 5 MET SD 1 1 80 5926 1 1 1 TYR C C 1.739 3.268 -1.514 1.00 . A A . 1 TYR C 1 1 80 5927 1 1 1 TYR CA C 1.836 3.458 -0.004 1.00 . A A . 1 TYR CA 1 1 80 5928 1 1 1 TYR CB C 0.900 4.582 0.446 1.00 . A A . 1 TYR CB 1 1 80 5929 1 1 1 TYR CD1 C -0.700 3.674 2.177 1.00 . A A . 1 TYR CD1 1 1 80 5930 1 1 1 TYR CD2 C -1.527 4.068 -0.024 1.00 . A A . 1 TYR CD2 1 1 80 5931 1 1 1 TYR CE1 C -1.949 3.231 2.571 1.00 . A A . 1 TYR CE1 1 1 80 5932 1 1 1 TYR CE2 C -2.778 3.628 0.363 1.00 . A A . 1 TYR CE2 1 1 80 5933 1 1 1 TYR CG C -0.468 4.099 0.875 1.00 . A A . 1 TYR CG 1 1 80 5934 1 1 1 TYR CZ C -2.984 3.210 1.661 1.00 . A A . 1 TYR CZ 1 1 80 5935 1 1 1 TYR H1 H 3.574 4.533 -0.245 1.00 . A A . 1 TYR H1 1 1 80 5936 1 1 1 TYR H2 H 3.795 2.937 0.346 1.00 . A A . 1 TYR H2 1 1 80 5937 1 1 1 TYR H3 H 3.185 4.161 1.382 1.00 . A A . 1 TYR H3 1 1 80 5938 1 1 1 TYR HA H 1.549 2.540 0.487 1.00 . A A . 1 TYR HA 1 1 80 5939 1 1 1 TYR HB2 H 1.345 5.100 1.282 1.00 . A A . 1 TYR HB2 1 1 80 5940 1 1 1 TYR HB3 H 0.766 5.276 -0.370 1.00 . A A . 1 TYR HB3 1 1 80 5941 1 1 1 TYR HD1 H 0.112 3.692 2.888 1.00 . A A . 1 TYR HD1 1 1 80 5942 1 1 1 TYR HD2 H -1.363 4.395 -1.040 1.00 . A A . 1 TYR HD2 1 1 80 5943 1 1 1 TYR HE1 H -2.109 2.904 3.588 1.00 . A A . 1 TYR HE1 1 1 80 5944 1 1 1 TYR HE2 H -3.588 3.610 -0.352 1.00 . A A . 1 TYR HE2 1 1 80 5945 1 1 1 TYR HH H -4.880 3.451 1.867 1.00 . A A . 1 TYR HH 1 1 80 5946 1 1 1 TYR N N 3.222 3.804 0.407 1.00 . A A . 1 TYR N 1 1 80 5947 1 1 1 TYR O O 2.672 3.583 -2.251 1.00 . A A . 1 TYR O 1 1 80 5948 1 1 1 TYR OH O -4.228 2.771 2.049 1.00 . A A . 1 TYR OH 1 1 80 5949 1 1 2 GLY C C 1.098 1.282 -3.884 1.00 . A A . 2 GLY C 1 1 80 5950 1 1 2 GLY CA C 0.396 2.529 -3.384 1.00 . A A . 2 GLY CA 1 1 80 5951 1 1 2 GLY H H -0.108 2.523 -1.329 1.00 . A A . 2 GLY H 1 1 80 5952 1 1 2 GLY HA2 H -0.663 2.432 -3.571 1.00 . A A . 2 GLY HA2 1 1 80 5953 1 1 2 GLY HA3 H 0.771 3.383 -3.929 1.00 . A A . 2 GLY HA3 1 1 80 5954 1 1 2 GLY N N 0.600 2.753 -1.965 1.00 . A A . 2 GLY N 1 1 80 5955 1 1 2 GLY O O 1.997 1.360 -4.721 1.00 . A A . 2 GLY O 1 1 80 5956 1 1 3 GLY C C 1.919 -1.883 -2.621 1.00 . A A . 3 GLY C 1 1 80 5957 1 1 3 GLY CA C 1.290 -1.128 -3.777 1.00 . A A . 3 GLY CA 1 1 80 5958 1 1 3 GLY H H -0.035 0.129 -2.704 1.00 . A A . 3 GLY H 1 1 80 5959 1 1 3 GLY HA2 H 0.526 -1.750 -4.219 1.00 . A A . 3 GLY HA2 1 1 80 5960 1 1 3 GLY HA3 H 2.049 -0.927 -4.518 1.00 . A A . 3 GLY HA3 1 1 80 5961 1 1 3 GLY N N 0.686 0.128 -3.368 1.00 . A A . 3 GLY N 1 1 80 5962 1 1 3 GLY O O 2.516 -2.941 -2.817 1.00 . A A . 3 GLY O 1 1 80 5963 1 1 4 PHE C C 1.558 -3.256 0.090 1.00 . A A . 4 PHE C 1 1 80 5964 1 1 4 PHE CA C 2.326 -1.983 -0.225 1.00 . A A . 4 PHE CA 1 1 80 5965 1 1 4 PHE CB C 2.248 -1.027 0.964 1.00 . A A . 4 PHE CB 1 1 80 5966 1 1 4 PHE CD1 C 0.138 0.312 0.721 1.00 . A A . 4 PHE CD1 1 1 80 5967 1 1 4 PHE CD2 C 0.222 -1.374 2.406 1.00 . A A . 4 PHE CD2 1 1 80 5968 1 1 4 PHE CE1 C -1.156 0.622 1.090 1.00 . A A . 4 PHE CE1 1 1 80 5969 1 1 4 PHE CE2 C -1.072 -1.067 2.781 1.00 . A A . 4 PHE CE2 1 1 80 5970 1 1 4 PHE CG C 0.842 -0.688 1.373 1.00 . A A . 4 PHE CG 1 1 80 5971 1 1 4 PHE CZ C -1.762 -0.068 2.121 1.00 . A A . 4 PHE CZ 1 1 80 5972 1 1 4 PHE H H 1.284 -0.505 -1.320 1.00 . A A . 4 PHE H 1 1 80 5973 1 1 4 PHE HA H 3.359 -2.229 -0.420 1.00 . A A . 4 PHE HA 1 1 80 5974 1 1 4 PHE HB2 H 2.737 -1.480 1.812 1.00 . A A . 4 PHE HB2 1 1 80 5975 1 1 4 PHE HB3 H 2.753 -0.108 0.712 1.00 . A A . 4 PHE HB3 1 1 80 5976 1 1 4 PHE HD1 H 0.611 0.852 -0.086 1.00 . A A . 4 PHE HD1 1 1 80 5977 1 1 4 PHE HD2 H 0.761 -2.154 2.921 1.00 . A A . 4 PHE HD2 1 1 80 5978 1 1 4 PHE HE1 H -1.692 1.403 0.573 1.00 . A A . 4 PHE HE1 1 1 80 5979 1 1 4 PHE HE2 H -1.544 -1.607 3.588 1.00 . A A . 4 PHE HE2 1 1 80 5980 1 1 4 PHE HZ H -2.774 0.173 2.413 1.00 . A A . 4 PHE HZ 1 1 80 5981 1 1 4 PHE N N 1.776 -1.346 -1.415 1.00 . A A . 4 PHE N 1 1 80 5982 1 1 4 PHE O O 2.134 -4.273 0.475 1.00 . A A . 4 PHE O 1 1 80 5983 1 1 5 MET C C -0.754 -5.204 -1.053 1.00 . A A . 5 MET C 1 1 80 5984 1 1 5 MET CA C -0.634 -4.313 0.180 1.00 . A A . 5 MET CA 1 1 80 5985 1 1 5 MET CB C -2.022 -3.826 0.608 1.00 . A A . 5 MET CB 1 1 80 5986 1 1 5 MET CE C -4.510 -1.448 -1.751 1.00 . A A . 5 MET CE 1 1 80 5987 1 1 5 MET CG C -2.546 -2.663 -0.222 1.00 . A A . 5 MET CG 1 1 80 5988 1 1 5 MET H H -0.140 -2.333 -0.391 1.00 . A A . 5 MET H 1 1 80 5989 1 1 5 MET HA H -0.202 -4.889 0.984 1.00 . A A . 5 MET HA 1 1 80 5990 1 1 5 MET HB2 H -2.720 -4.644 0.522 1.00 . A A . 5 MET HB2 1 1 80 5991 1 1 5 MET HB3 H -1.977 -3.510 1.640 1.00 . A A . 5 MET HB3 1 1 80 5992 1 1 5 MET HE1 H -3.670 -0.776 -1.660 1.00 . A A . 5 MET HE1 1 1 80 5993 1 1 5 MET HE2 H -5.421 -0.922 -1.502 1.00 . A A . 5 MET HE2 1 1 80 5994 1 1 5 MET HE3 H -4.573 -1.812 -2.767 1.00 . A A . 5 MET HE3 1 1 80 5995 1 1 5 MET HG2 H -2.410 -1.749 0.336 1.00 . A A . 5 MET HG2 1 1 80 5996 1 1 5 MET HG3 H -1.978 -2.609 -1.140 1.00 . A A . 5 MET HG3 1 1 80 5997 1 1 5 MET N N 0.246 -3.180 -0.081 1.00 . A A . 5 MET N 1 1 80 5998 1 1 5 MET O O -0.699 -6.442 -0.895 1.00 . A A . 5 MET O 1 1 80 5999 1 1 5 MET OXT O -0.901 -4.656 -2.165 1.00 . A A . 5 MET OXT 1 1 80 6000 1 1 5 MET SD S -4.294 -2.830 -0.633 1.00 . A A . 5 MET SD 1 1 stop_ save_
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