NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
564909 | 2m8f | 19250 | cing | 4-filtered-FRED | STAR | entry | full | 172 |
data_FRED_restraints_with_modified_coordinates_PDB_code_2m8f # This FRED archive file contains, for PDB entry <2m8f>: # # - Coordinates and sequence information from the PDB mmCIF file # - NMR restraints from the PDB MR file # # In this file, the coordinates and NMR restraints share the same atom names, # and in this way can differ from the data deposited at the wwPDB. To achieve # this aim, the NMR restraints were parsed from their original format files, and # the coordinates and NMR restraints information were subsequently harmonized. # # Due to the complexity of this harmonization process and the filtering process # used in creating these files, the NMR restraints information in these files # may differ significantly from that in the originally deposited file. Other # modifications could have occurred to the NMR restraints information, or data # could have been lost because of parsing or conversion errors. The PDB file # remains the authoritative reference for the atomic coordinates and the # originally deposited restraints files remain the primary reference for these # data. # # This file is generated at the BioMagResBank (BMRB) in collaboration with the # PDBe (formerly MSD) group at the European Bioinformatics Institute (EBI) and # the CMBI/IMM group at the Radboud University of Nijmegen. # # Several software packages were used to produce this file: # # - Wattos (BMRB and CMBI/IMM). # - FormatConverter and NMRStarExport (PDBe). # - CCPN framework (http://www.ccpn.ac.uk/). # # More information about this process can be found in the references below. # Please cite the original reference for this PDB entry. # # JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL # Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED # containing converted and filtered sets of experimental NMR restraints and # coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12. # # WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL # Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy: # development of a software pipeline. Proteins 59, 687-696. # # JF Doreleijers, WF Vranken, C Schulte, J Lin, JR Wedell, CJ Penkett, GW Vuister, # G Vriend, JL Markley, and EL Ulrich (2009). The NMR Restraints Grid at BMRB for # 5,266 Protein and Nucleic Acid PDB Entries. J Biomol. NMR 45, 389?396. save_Conversion_project_for_entry_Name_1 _Study_list.Sf_category study_list _Study_list.Entry_ID 1 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 "Conversion project for entry 1" NMR . 1 1 stop_ save_ save_originalConstraints_1 _Entry.PDB_coordinate_file_version . _Entry.Sf_category entry_information _Entry.ID 1 _Entry.Title "Data for entry 1" _Entry.NMR_STAR_version 3.1.0.8 _Entry.Experimental_method NMR _Entry.Details . save_ save_assembly_2m8f _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 2m8f _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "not present" _Assembly.Molecular_mass 2521.71 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 $astexin3 A . 1 1 stop_ save_ save_astexin3 _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name astexin3 _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code GPTPMVGLDSVSGQYWDQHAPLAD _Entity.Number_of_monomers 24 loop_ _Entity_comp_index.ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 GLY . 1 1 2 PRO . 1 1 3 THR . 1 1 4 PRO . 1 1 5 MET . 1 1 6 VAL . 1 1 7 GLY . 1 1 8 LEU . 1 1 9 ASP . 1 1 10 SER . 1 1 11 VAL . 1 1 12 SER . 1 1 13 GLY . 1 1 14 GLN . 1 1 15 TYR . 1 1 16 TRP . 1 1 17 ASP . 1 1 18 GLN . 1 1 19 HIS . 1 1 20 ALA . 1 1 21 PRO . 1 1 22 LEU . 1 1 23 ALA . 1 1 24 ASP . 1 1 stop_ loop_ _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID GLY 1 1 1 1 PRO 2 2 1 1 THR 3 3 1 1 PRO 4 4 1 1 MET 5 5 1 1 VAL 6 6 1 1 GLY 7 7 1 1 LEU 8 8 1 1 ASP 9 9 1 1 SER 10 10 1 1 VAL 11 11 1 1 SER 12 12 1 1 GLY 13 13 1 1 GLN 14 14 1 1 TYR 15 15 1 1 TRP 16 16 1 1 ASP 17 17 1 1 GLN 18 18 1 1 HIS 19 19 1 1 ALA 20 20 1 1 PRO 21 21 1 1 LEU 22 22 1 1 ALA 23 23 1 1 ASP 24 24 1 1 stop_ save_ save_DYANA/DIANA_distance_constraints_3_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID . _Distance_constraint_list.Block_ID . loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . 1 1 2 1 . . . 1 1 3 1 . . . 1 1 4 1 . . . 1 1 5 1 . . . 1 1 6 1 . . . 1 1 7 1 . . . 1 1 8 1 . . . 1 1 9 1 . . . 1 1 10 1 . . . 1 1 11 1 . . . 1 1 12 1 . . . 1 1 13 1 . . . 1 1 14 1 . . . 1 1 15 1 . . . 1 1 16 1 . . . 1 1 17 1 . . . 1 1 18 1 . . . 1 1 19 1 . . . 1 1 20 1 . . . 1 1 21 1 . . . 1 1 22 1 . . . 1 1 23 1 . . . 1 1 24 1 . . . 1 1 25 1 . . . 1 1 26 1 . . . 1 1 27 1 . . . 1 1 28 1 . . . 1 1 29 1 . . . 1 1 30 1 . . . 1 1 31 1 . . . 1 1 32 1 . . . 1 1 33 1 . . . 1 1 34 1 . . . 1 1 35 1 . . . 1 1 36 1 . . . 1 1 37 1 . . . 1 1 38 1 . . . 1 1 39 1 . . . 1 1 40 1 . . . 1 1 41 1 . . . 1 1 42 1 . . . 1 1 43 1 . . . 1 1 44 1 . . . 1 1 45 1 . . . 1 1 46 1 . . . 1 1 47 1 . . . 1 1 48 1 . . . 1 1 49 1 . . . 1 1 50 1 . . . 1 1 51 1 . . . 1 1 52 1 . . . 1 1 53 1 . . . 1 1 54 1 . . . 1 1 55 1 . . . 1 1 56 1 . . . 1 1 57 1 . . . 1 1 58 1 . . . 1 1 59 1 . . . 1 1 60 1 . . . 1 1 61 1 . . . 1 1 62 1 . . . 1 1 63 1 . . . 1 1 64 1 . . . 1 1 65 1 . . . 1 1 66 1 . . . 1 1 67 1 . . . 1 1 68 1 . . . 1 1 69 1 . . . 1 1 70 1 . . . 1 1 71 1 . . . 1 1 72 1 . . . 1 1 73 1 . . . 1 1 74 1 . . . 1 1 75 1 . . . 1 1 76 1 . . . 1 1 77 1 . . . 1 1 78 1 . . . 1 1 79 1 . . . 1 1 80 1 . . . 1 1 81 1 . . . 1 1 82 1 . . . 1 1 83 1 . . . 1 1 84 1 . . . 1 1 85 1 . . . 1 1 86 1 . . . 1 1 87 1 . . . 1 1 88 1 . . . 1 1 89 1 . . . 1 1 90 1 . . . 1 1 91 1 . . . 1 1 92 1 . . . 1 1 93 1 . . . 1 1 94 1 . . . 1 1 95 1 . . . 1 1 96 1 . . . 1 1 97 1 . . . 1 1 98 1 . . . 1 1 99 1 . . . 1 1 100 1 . . . 1 1 101 1 . . . 1 1 102 1 . . . 1 1 103 1 . . . 1 1 104 1 . . . 1 1 105 1 . . . 1 1 106 1 . . . 1 1 107 1 . . . 1 1 108 1 . . . 1 1 109 1 . . . 1 1 110 1 . . . 1 1 111 1 . . . 1 1 112 1 . . . 1 1 113 1 . . . 1 1 114 1 . . . 1 1 115 1 . . . 1 1 116 1 . . . 1 1 117 1 . . . 1 1 118 1 . . . 1 1 119 1 . . . 1 1 120 1 . . . 1 1 121 1 . . . 1 1 122 1 . . . 1 1 123 1 . . . 1 1 124 1 . . . 1 1 125 1 . . . 1 1 126 1 . . . 1 1 127 1 . . . 1 1 128 1 . . . 1 1 129 1 . . . 1 1 130 1 . . . 1 1 131 1 . . . 1 1 132 1 . . . 1 1 133 1 . . . 1 1 134 1 . . . 1 1 135 1 . . . 1 1 136 1 . . . 1 1 137 1 . . . 1 1 138 1 . . . 1 1 139 1 . . . 1 1 140 1 . . . 1 1 141 1 . . . 1 1 142 1 . . . 1 1 143 1 . . . 1 1 144 1 . . . 1 1 145 1 . . . 1 1 146 1 . . . 1 1 147 1 . . . 1 1 148 1 . . . 1 1 149 1 . . . 1 1 150 1 . . . 1 1 151 1 . . . 1 1 152 1 . . . 1 1 153 1 . . . 1 1 154 1 . . . 1 1 155 1 . . . 1 1 156 1 . . . 1 1 157 1 . . . 1 1 158 1 . . . 1 1 159 1 . . . 1 1 160 1 . . . 1 1 161 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 GLY H1 . 1 GLY H 1 1 1 1 2 1 1 1 GLY QA . 1 GLY HA3 1 1 2 1 1 1 1 1 GLY H1 . 1 GLY H 1 1 2 1 2 1 1 7 GLY QA . 7 GLY HA3 1 1 3 1 1 1 1 1 GLY H1 . 1 GLY H 1 1 3 1 2 1 1 8 LEU QB . 8 LEU HB3 1 1 4 1 1 1 1 1 GLY H1 . 1 GLY H 1 1 4 1 2 1 1 9 ASP H . 9 ASP H 1 1 5 1 1 1 1 1 GLY H1 . 1 GLY H 1 1 5 1 2 1 1 9 ASP QB . 9 ASP HB2 1 1 6 1 1 1 1 1 GLY H1 . 1 GLY H 1 1 6 1 2 1 1 13 GLY H . 13 GLY H 1 1 7 1 1 1 1 1 GLY H1 . 1 GLY H 1 1 7 1 2 1 1 16 TRP HE3 . 16 TRP HE3 1 1 8 1 1 1 1 1 GLY H1 . 1 GLY H 1 1 8 1 2 1 1 23 ALA H . 23 ALA H 1 1 9 1 1 1 1 1 GLY QA . 1 GLY HA2 1 1 9 1 2 1 1 2 PRO QD . 2 PRO QD 1 1 10 1 1 1 1 1 GLY QA . 1 GLY HA2 1 1 10 1 2 1 1 17 ASP QB . 17 ASP HB3 1 1 11 1 1 1 1 2 PRO QD . 2 PRO QD 1 1 11 1 2 1 1 3 THR HA . 3 THR HA 1 1 12 1 1 1 1 2 PRO QG . 2 PRO HG3 1 1 12 1 2 1 1 14 GLN QB . 14 GLN HB3 1 1 13 1 1 1 1 3 THR H . 3 THR H 1 1 13 1 2 1 1 3 THR HA . 3 THR HA 1 1 14 1 1 1 1 3 THR H . 3 THR H 1 1 14 1 2 1 1 3 THR HB . 3 THR HB 1 1 15 1 1 1 1 3 THR H . 3 THR H 1 1 15 1 2 1 1 15 TYR QB . 15 TYR HB2 1 1 16 1 1 1 1 3 THR H . 3 THR H 1 1 16 1 2 1 1 16 TRP QB . 16 TRP HB3 1 1 17 1 1 1 1 3 THR HA . 3 THR HA 1 1 17 1 2 1 1 3 THR HB . 3 THR HB 1 1 18 1 1 1 1 3 THR HA . 3 THR HA 1 1 18 1 2 1 1 4 PRO QD . 4 PRO QD 1 1 19 1 1 1 1 3 THR HA . 3 THR HA 1 1 19 1 2 1 1 4 PRO QG . 4 PRO HG2 1 1 20 1 1 1 1 3 THR HA . 3 THR HA 1 1 20 1 2 1 1 18 GLN QB . 18 GLN HB3 1 1 21 1 1 1 1 3 THR HB . 3 THR HB 1 1 21 1 2 1 1 16 TRP QB . 16 TRP HB3 1 1 22 1 1 1 1 3 THR HB . 3 THR HB 1 1 22 1 2 1 1 16 TRP HD1 . 16 TRP HD1 1 1 23 1 1 1 1 3 THR MG . 3 THR QG2 1 1 23 1 2 1 1 4 PRO QD . 4 PRO QD 1 1 24 1 1 1 1 3 THR MG . 3 THR QG2 1 1 24 1 2 1 1 5 MET H . 5 MET H 1 1 25 1 1 1 1 3 THR MG . 3 THR QG2 1 1 25 1 2 1 1 5 MET ME . 5 MET QE 1 1 26 1 1 1 1 3 THR MG . 3 THR QG2 1 1 26 1 2 1 1 5 MET QG . 5 MET QG 1 1 27 1 1 1 1 3 THR MG . 3 THR QG2 1 1 27 1 2 1 1 14 GLN QE . 14 GLN HE21 1 1 28 1 1 1 1 3 THR MG . 3 THR QG2 1 1 28 1 2 1 1 16 TRP QB . 16 TRP HB3 1 1 29 1 1 1 1 3 THR MG . 3 THR QG2 1 1 29 1 2 1 1 16 TRP HD1 . 16 TRP HD1 1 1 30 1 1 1 1 3 THR MG . 3 THR QG2 1 1 30 1 2 1 1 23 ALA MB . 23 ALA QB 1 1 31 1 1 1 1 4 PRO QG . 4 PRO HG2 1 1 31 1 2 1 1 5 MET ME . 5 MET QE 1 1 32 1 1 1 1 5 MET H . 5 MET H 1 1 32 1 2 1 1 5 MET HA . 5 MET HA 1 1 33 1 1 1 1 5 MET H . 5 MET H 1 1 33 1 2 1 1 5 MET QB . 5 MET QB 1 1 34 1 1 1 1 5 MET H . 5 MET H 1 1 34 1 2 1 1 5 MET ME . 5 MET QE 1 1 35 1 1 1 1 5 MET H . 5 MET H 1 1 35 1 2 1 1 5 MET QG . 5 MET QG 1 1 36 1 1 1 1 5 MET H . 5 MET H 1 1 36 1 2 1 1 15 TYR HA . 15 TYR HA 1 1 37 1 1 1 1 5 MET H . 5 MET H 1 1 37 1 2 1 1 16 TRP QB . 16 TRP HB3 1 1 38 1 1 1 1 5 MET H . 5 MET H 1 1 38 1 2 1 1 22 LEU QB . 22 LEU QB 1 1 39 1 1 1 1 5 MET H . 5 MET H 1 1 39 1 2 1 1 23 ALA MB . 23 ALA QB 1 1 40 1 1 1 1 5 MET HA . 5 MET HA 1 1 40 1 2 1 1 5 MET ME . 5 MET QE 1 1 41 1 1 1 1 5 MET HA . 5 MET HA 1 1 41 1 2 1 1 5 MET QG . 5 MET QG 1 1 42 1 1 1 1 5 MET HA . 5 MET HA 1 1 42 1 2 1 1 6 VAL H . 6 VAL H 1 1 43 1 1 1 1 5 MET HA . 5 MET HA 1 1 43 1 2 1 1 6 VAL HA . 6 VAL HA 1 1 44 1 1 1 1 5 MET QB . 5 MET QB 1 1 44 1 2 1 1 6 VAL H . 6 VAL H 1 1 45 1 1 1 1 5 MET QB . 5 MET QB 1 1 45 1 2 1 1 16 TRP QB . 16 TRP HB3 1 1 46 1 1 1 1 5 MET QB . 5 MET QB 1 1 46 1 2 1 1 16 TRP HE3 . 16 TRP HE3 1 1 47 1 1 1 1 5 MET ME . 5 MET QE 1 1 47 1 2 1 1 6 VAL H . 6 VAL H 1 1 48 1 1 1 1 5 MET ME . 5 MET QE 1 1 48 1 2 1 1 16 TRP QB . 16 TRP HB3 1 1 49 1 1 1 1 5 MET ME . 5 MET QE 1 1 49 1 2 1 1 16 TRP HE3 . 16 TRP HE3 1 1 50 1 1 1 1 5 MET QG . 5 MET QG 1 1 50 1 2 1 1 6 VAL H . 6 VAL H 1 1 51 1 1 1 1 5 MET QG . 5 MET QG 1 1 51 1 2 1 1 16 TRP H . 16 TRP H 1 1 52 1 1 1 1 5 MET QG . 5 MET QG 1 1 52 1 2 1 1 16 TRP QB . 16 TRP HB3 1 1 53 1 1 1 1 5 MET QG . 5 MET QG 1 1 53 1 2 1 1 16 TRP HE3 . 16 TRP HE3 1 1 54 1 1 1 1 6 VAL H . 6 VAL H 1 1 54 1 2 1 1 6 VAL HA . 6 VAL HA 1 1 55 1 1 1 1 6 VAL H . 6 VAL H 1 1 55 1 2 1 1 6 VAL HB . 6 VAL HB 1 1 56 1 1 1 1 6 VAL H . 6 VAL H 1 1 56 1 2 1 1 20 ALA MB . 20 ALA QB 1 1 57 1 1 1 1 6 VAL HA . 6 VAL HA 1 1 57 1 2 1 1 6 VAL HB . 6 VAL HB 1 1 58 1 1 1 1 6 VAL HA . 6 VAL HA 1 1 58 1 2 1 1 6 VAL QG . 6 VAL QQG 1 1 59 1 1 1 1 6 VAL HA . 6 VAL HA 1 1 59 1 2 1 1 7 GLY H . 7 GLY H 1 1 60 1 1 1 1 6 VAL HA . 6 VAL HA 1 1 60 1 2 1 1 14 GLN QE . 14 GLN HE21 1 1 61 1 1 1 1 6 VAL HA . 6 VAL HA 1 1 61 1 2 1 1 15 TYR HA . 15 TYR HA 1 1 62 1 1 1 1 6 VAL QG . 6 VAL QQG 1 1 62 1 2 1 1 7 GLY H . 7 GLY H 1 1 63 1 1 1 1 6 VAL QG . 6 VAL QQG 1 1 63 1 2 1 1 7 GLY QA . 7 GLY HA3 1 1 64 1 1 1 1 6 VAL QG . 6 VAL QQG 1 1 64 1 2 1 1 14 GLN QE . 14 GLN HE22 1 1 65 1 1 1 1 6 VAL QG . 6 VAL QQG 1 1 65 1 2 1 1 16 TRP HZ3 . 16 TRP HZ3 1 1 66 1 1 1 1 7 GLY H . 7 GLY H 1 1 66 1 2 1 1 9 ASP QB . 9 ASP HB2 1 1 67 1 1 1 1 7 GLY H . 7 GLY H 1 1 67 1 2 1 1 16 TRP HA . 16 TRP HA 1 1 68 1 1 1 1 8 LEU HA . 8 LEU HA 1 1 68 1 2 1 1 8 LEU QB . 8 LEU HB3 1 1 69 1 1 1 1 8 LEU HA . 8 LEU HA 1 1 69 1 2 1 1 8 LEU QD . 8 LEU QQD 1 1 70 1 1 1 1 8 LEU HA . 8 LEU HA 1 1 70 1 2 1 1 8 LEU HG . 8 LEU HG 1 1 71 1 1 1 1 8 LEU QB . 8 LEU HB3 1 1 71 1 2 1 1 9 ASP H . 9 ASP H 1 1 72 1 1 1 1 8 LEU QB . 8 LEU HB3 1 1 72 1 2 1 1 14 GLN QB . 14 GLN HB2 1 1 73 1 1 1 1 8 LEU QB . 8 LEU HB2 1 1 73 1 2 1 1 16 TRP QB . 16 TRP HB3 1 1 74 1 1 1 1 8 LEU QD . 8 LEU QQD 1 1 74 1 2 1 1 9 ASP H . 9 ASP H 1 1 75 1 1 1 1 8 LEU HG . 8 LEU HG 1 1 75 1 2 1 1 9 ASP H . 9 ASP H 1 1 76 1 1 1 1 8 LEU HG . 8 LEU HG 1 1 76 1 2 1 1 19 HIS HD1 . 19 HIS HD1 1 1 77 1 1 1 1 9 ASP H . 9 ASP H 1 1 77 1 2 1 1 9 ASP HA . 9 ASP HA 1 1 78 1 1 1 1 9 ASP H . 9 ASP H 1 1 78 1 2 1 1 9 ASP QB . 9 ASP HB2 1 1 79 1 1 1 1 9 ASP H . 9 ASP H 1 1 79 1 2 1 1 16 TRP HE3 . 16 TRP HE3 1 1 80 1 1 1 1 9 ASP H . 9 ASP H 1 1 80 1 2 1 1 18 GLN H . 18 GLN H 1 1 81 1 1 1 1 9 ASP HA . 9 ASP HA 1 1 81 1 2 1 1 9 ASP QB . 9 ASP HB3 1 1 82 1 1 1 1 9 ASP QB . 9 ASP HB3 1 1 82 1 2 1 1 12 SER H . 12 SER H 1 1 83 1 1 1 1 9 ASP QB . 9 ASP HB2 1 1 83 1 2 1 1 16 TRP HZ3 . 16 TRP HZ3 1 1 84 1 1 1 1 10 SER HA . 10 SER HA 1 1 84 1 2 1 1 11 VAL H . 11 VAL H 1 1 85 1 1 1 1 11 VAL H . 11 VAL H 1 1 85 1 2 1 1 11 VAL HB . 11 VAL HB 1 1 86 1 1 1 1 11 VAL H . 11 VAL H 1 1 86 1 2 1 1 11 VAL QG . 11 VAL QQG 1 1 87 1 1 1 1 11 VAL H . 11 VAL H 1 1 87 1 2 1 1 12 SER H . 12 SER H 1 1 88 1 1 1 1 11 VAL HA . 11 VAL HA 1 1 88 1 2 1 1 11 VAL HB . 11 VAL HB 1 1 89 1 1 1 1 11 VAL HA . 11 VAL HA 1 1 89 1 2 1 1 12 SER H . 12 SER H 1 1 90 1 1 1 1 11 VAL HB . 11 VAL HB 1 1 90 1 2 1 1 12 SER H . 12 SER H 1 1 91 1 1 1 1 11 VAL QG . 11 VAL QQG 1 1 91 1 2 1 1 12 SER H . 12 SER H 1 1 92 1 1 1 1 12 SER H . 12 SER H 1 1 92 1 2 1 1 12 SER HA . 12 SER HA 1 1 93 1 1 1 1 12 SER H . 12 SER H 1 1 93 1 2 1 1 13 GLY H . 13 GLY H 1 1 94 1 1 1 1 12 SER HA . 12 SER HA 1 1 94 1 2 1 1 13 GLY H . 13 GLY H 1 1 95 1 1 1 1 12 SER QB . 12 SER HB3 1 1 95 1 2 1 1 13 GLY H . 13 GLY H 1 1 96 1 1 1 1 12 SER QB . 12 SER HB2 1 1 96 1 2 1 1 14 GLN QE . 14 GLN HE21 1 1 97 1 1 1 1 13 GLY H . 13 GLY H 1 1 97 1 2 1 1 13 GLY HA2 . 13 GLY HA2 1 1 98 1 1 1 1 13 GLY H . 13 GLY H 1 1 98 1 2 1 1 13 GLY HA3 . 13 GLY HA3 1 1 99 1 1 1 1 13 GLY HA3 . 13 GLY HA3 1 1 99 1 2 1 1 14 GLN QB . 14 GLN HB2 1 1 100 1 1 1 1 14 GLN HA . 14 GLN HA 1 1 100 1 2 1 1 14 GLN QB . 14 GLN HB2 1 1 101 1 1 1 1 14 GLN HA . 14 GLN HA 1 1 101 1 2 1 1 14 GLN QE . 14 GLN HE21 1 1 102 1 1 1 1 14 GLN QB . 14 GLN HB2 1 1 102 1 2 1 1 14 GLN QE . 14 GLN HE21 1 1 103 1 1 1 1 14 GLN QB . 14 GLN HB3 1 1 103 1 2 1 1 15 TYR QB . 15 TYR HB2 1 1 104 1 1 1 1 14 GLN QE . 14 GLN HE21 1 1 104 1 2 1 1 15 TYR HA . 15 TYR HA 1 1 105 1 1 1 1 14 GLN QE . 14 GLN HE21 1 1 105 1 2 1 1 15 TYR QB . 15 TYR HB3 1 1 106 1 1 1 1 15 TYR H . 15 TYR H 1 1 106 1 2 1 1 15 TYR HA . 15 TYR HA 1 1 107 1 1 1 1 15 TYR H . 15 TYR H 1 1 107 1 2 1 1 15 TYR QB . 15 TYR HB3 1 1 108 1 1 1 1 15 TYR H . 15 TYR H 1 1 108 1 2 1 1 16 TRP QB . 16 TRP HB2 1 1 109 1 1 1 1 15 TYR HA . 15 TYR HA 1 1 109 1 2 1 1 16 TRP H . 16 TRP H 1 1 110 1 1 1 1 16 TRP H . 16 TRP H 1 1 110 1 2 1 1 16 TRP HA . 16 TRP HA 1 1 111 1 1 1 1 16 TRP H . 16 TRP H 1 1 111 1 2 1 1 16 TRP QB . 16 TRP HB2 1 1 112 1 1 1 1 16 TRP H . 16 TRP H 1 1 112 1 2 1 1 16 TRP HZ3 . 16 TRP HZ3 1 1 113 1 1 1 1 16 TRP H . 16 TRP H 1 1 113 1 2 1 1 17 ASP QB . 17 ASP HB3 1 1 114 1 1 1 1 16 TRP HA . 16 TRP HA 1 1 114 1 2 1 1 16 TRP HD1 . 16 TRP HD1 1 1 115 1 1 1 1 16 TRP HA . 16 TRP HA 1 1 115 1 2 1 1 16 TRP HE3 . 16 TRP HE3 1 1 116 1 1 1 1 16 TRP HA . 16 TRP HA 1 1 116 1 2 1 1 16 TRP HZ3 . 16 TRP HZ3 1 1 117 1 1 1 1 16 TRP HA . 16 TRP HA 1 1 117 1 2 1 1 17 ASP H . 17 ASP H 1 1 118 1 1 1 1 16 TRP HA . 16 TRP HA 1 1 118 1 2 1 1 18 GLN QE . 18 GLN HE21 1 1 119 1 1 1 1 16 TRP QB . 16 TRP HB3 1 1 119 1 2 1 1 16 TRP HD1 . 16 TRP HD1 1 1 120 1 1 1 1 16 TRP QB . 16 TRP HB3 1 1 120 1 2 1 1 17 ASP H . 17 ASP H 1 1 121 1 1 1 1 16 TRP HD1 . 16 TRP HD1 1 1 121 1 2 1 1 18 GLN QB . 18 GLN HB2 1 1 122 1 1 1 1 16 TRP HD1 . 16 TRP HD1 1 1 122 1 2 1 1 18 GLN QG . 18 GLN QG 1 1 123 1 1 1 1 16 TRP HE3 . 16 TRP HE3 1 1 123 1 2 1 1 18 GLN H . 18 GLN H 1 1 124 1 1 1 1 17 ASP H . 17 ASP H 1 1 124 1 2 1 1 17 ASP QB . 17 ASP HB3 1 1 125 1 1 1 1 17 ASP HA . 17 ASP HA 1 1 125 1 2 1 1 18 GLN H . 18 GLN H 1 1 126 1 1 1 1 17 ASP QB . 17 ASP HB3 1 1 126 1 2 1 1 18 GLN H . 18 GLN H 1 1 127 1 1 1 1 18 GLN H . 18 GLN H 1 1 127 1 2 1 1 18 GLN HA . 18 GLN HA 1 1 128 1 1 1 1 18 GLN H . 18 GLN H 1 1 128 1 2 1 1 18 GLN QB . 18 GLN HB3 1 1 129 1 1 1 1 18 GLN H . 18 GLN H 1 1 129 1 2 1 1 18 GLN QG . 18 GLN QG 1 1 130 1 1 1 1 18 GLN H . 18 GLN H 1 1 130 1 2 1 1 19 HIS H . 19 HIS H 1 1 131 1 1 1 1 18 GLN H . 18 GLN H 1 1 131 1 2 1 1 23 ALA H . 23 ALA H 1 1 132 1 1 1 1 18 GLN HA . 18 GLN HA 1 1 132 1 2 1 1 18 GLN QB . 18 GLN HB3 1 1 133 1 1 1 1 18 GLN HA . 18 GLN HA 1 1 133 1 2 1 1 18 GLN QE . 18 GLN HE21 1 1 134 1 1 1 1 18 GLN HA . 18 GLN HA 1 1 134 1 2 1 1 18 GLN QG . 18 GLN QG 1 1 135 1 1 1 1 18 GLN HA . 18 GLN HA 1 1 135 1 2 1 1 19 HIS H . 19 HIS H 1 1 136 1 1 1 1 18 GLN HA . 18 GLN HA 1 1 136 1 2 1 1 19 HIS HD1 . 19 HIS HD1 1 1 137 1 1 1 1 18 GLN HA . 18 GLN HA 1 1 137 1 2 1 1 20 ALA H . 20 ALA H 1 1 138 1 1 1 1 18 GLN QB . 18 GLN HB3 1 1 138 1 2 1 1 19 HIS H . 19 HIS H 1 1 139 1 1 1 1 18 GLN QB . 18 GLN HB2 1 1 139 1 2 1 1 19 HIS HD1 . 19 HIS HD1 1 1 140 1 1 1 1 18 GLN QE . 18 GLN HE21 1 1 140 1 2 1 1 18 GLN QG . 18 GLN QG 1 1 141 1 1 1 1 18 GLN QG . 18 GLN QG 1 1 141 1 2 1 1 19 HIS H . 19 HIS H 1 1 142 1 1 1 1 18 GLN QG . 18 GLN QG 1 1 142 1 2 1 1 19 HIS HD1 . 19 HIS HD1 1 1 143 1 1 1 1 18 GLN QG . 18 GLN QG 1 1 143 1 2 1 1 19 HIS HD2 . 19 HIS HD2 1 1 144 1 1 1 1 19 HIS H . 19 HIS H 1 1 144 1 2 1 1 19 HIS HA . 19 HIS HA 1 1 145 1 1 1 1 19 HIS H . 19 HIS H 1 1 145 1 2 1 1 19 HIS QB . 19 HIS QB 1 1 146 1 1 1 1 19 HIS HA . 19 HIS HA 1 1 146 1 2 1 1 19 HIS QB . 19 HIS QB 1 1 147 1 1 1 1 19 HIS HA . 19 HIS HA 1 1 147 1 2 1 1 20 ALA H . 20 ALA H 1 1 148 1 1 1 1 19 HIS QB . 19 HIS QB 1 1 148 1 2 1 1 20 ALA H . 20 ALA H 1 1 149 1 1 1 1 19 HIS NE2 . 19 HIS NE2 1 1 149 1 2 1 1 20 ALA MB . 20 ALA QB 1 1 150 1 1 1 1 20 ALA HA . 20 ALA HA 1 1 150 1 2 1 1 21 PRO QD . 21 PRO QD 1 1 151 1 1 1 1 20 ALA MB . 20 ALA QB 1 1 151 1 2 1 1 21 PRO QD . 21 PRO QD 1 1 152 1 1 1 1 21 PRO HA . 21 PRO HA 1 1 152 1 2 1 1 21 PRO QG . 21 PRO QG 1 1 153 1 1 1 1 21 PRO QB . 21 PRO QB 1 1 153 1 2 1 1 22 LEU H . 22 LEU H 1 1 154 1 1 1 1 21 PRO QG . 21 PRO QG 1 1 154 1 2 1 1 22 LEU H . 22 LEU H 1 1 155 1 1 1 1 22 LEU H . 22 LEU H 1 1 155 1 2 1 1 22 LEU QB . 22 LEU QB 1 1 156 1 1 1 1 22 LEU H . 22 LEU H 1 1 156 1 2 1 1 22 LEU HG . 22 LEU HG 1 1 157 1 1 1 1 22 LEU HA . 22 LEU HA 1 1 157 1 2 1 1 22 LEU QD . 22 LEU QQD 1 1 158 1 1 1 1 23 ALA H . 23 ALA H 1 1 158 1 2 1 1 24 ASP H . 24 ASP H 1 1 159 1 1 1 1 23 ALA HA . 23 ALA HA 1 1 159 1 2 1 1 24 ASP H . 24 ASP H 1 1 160 1 1 1 1 23 ALA MB . 23 ALA QB 1 1 160 1 2 1 1 24 ASP H . 24 ASP H 1 1 161 1 1 1 1 24 ASP H . 24 ASP H 1 1 161 1 2 1 1 24 ASP HA . 24 ASP HA 1 1 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . . . 3.1 1 1 2 1 . . . . . . . 5.9 1 1 3 1 . . . . . . . 4.05 1 1 4 1 . . . . . . . 2.99 1 1 5 1 . . . . . . . 2.49 1 1 6 1 . . . . . . . 4.1 1 1 7 1 . . . . . . . 4.83 1 1 8 1 . . . . . . . 8.86 1 1 9 1 . . . . . . . 2.37 1 1 10 1 . . . . . . . 3.53 1 1 11 1 . . . . . . . 6.79 1 1 12 1 . . . . . . . 5.11 1 1 13 1 . . . . . . . 2.87 1 1 14 1 . . . . . . . 3.24 1 1 15 1 . . . . . . . 3.21 1 1 16 1 . . . . . . . 4.69 1 1 17 1 . . . . . . . 2.89 1 1 18 1 . . . . . . . 2.45 1 1 19 1 . . . . . . . 4.49 1 1 20 1 . . . . . . . 8.12 1 1 21 1 . . . . . . . 2.39 1 1 22 1 . . . . . . . 3.12 1 1 23 1 . . . . . . . 3.98 1 1 24 1 . . . . . . . 3.82 1 1 25 1 . . . . . . . 5.26 1 1 26 1 . . . . . . . 4.09 1 1 27 1 . . . . . . . 4.65 1 1 28 1 . . . . . . . 3.32 1 1 29 1 . . . . . . . 3.73 1 1 30 1 . . . . . . . 4.27 1 1 31 1 . . . . . . . 2.62 1 1 32 1 . . . . . . . 2.74 1 1 33 1 . . . . . . . 3.67 1 1 34 1 . . . . . . . 5.19 1 1 35 1 . . . . . . . 4.67 1 1 36 1 . . . . . . . 4.55 1 1 37 1 . . . . . . . 3.48 1 1 38 1 . . . . . . . 5.86 1 1 39 1 . . . . . . . 6.35 1 1 40 1 . . . . . . . 4.36 1 1 41 1 . . . . . . . 3.25 1 1 42 1 . . . . . . . 3.17 1 1 43 1 . . . . . . . 4.86 1 1 44 1 . . . . . . . 4.03 1 1 45 1 . . . . . . . 3.49 1 1 46 1 . . . . . . . 4.91 1 1 47 1 . . . . . . . 4.92 1 1 48 1 . . . . . . . 3.62 1 1 49 1 . . . . . . . 6.89 1 1 50 1 . . . . . . . 4.62 1 1 51 1 . . . . . . . 6.16 1 1 52 1 . . . . . . . 3.06 1 1 53 1 . . . . . . . 4.72 1 1 54 1 . . . . . . . 2.93 1 1 55 1 . . . . . . . 3.35 1 1 56 1 . . . . . . . 8.14 1 1 57 1 . . . . . . . 2.57 1 1 58 1 . . . . . . . 3.05 1 1 59 1 . . . . . . . 2.19 1 1 60 1 . . . . . . . 5.44 1 1 61 1 . . . . . . . 2.91 1 1 62 1 . . . . . . . 3.65 1 1 63 1 . . . . . . . 4.39 1 1 64 1 . . . . . . . 5.61 1 1 65 1 . . . . . . . 4.89 1 1 66 1 . . . . . . . 4.05 1 1 67 1 . . . . . . . 3.1 1 1 68 1 . . . . . . . 2.77 1 1 69 1 . . . . . . . 3.13 1 1 70 1 . . . . . . . 3.63 1 1 71 1 . . . . . . . 3.82 1 1 72 1 . . . . . . . 8.64 1 1 73 1 . . . . . . . 5.11 1 1 74 1 . . . . . . . 4.82 1 1 75 1 . . . . . . . 4.16 1 1 76 1 . . . . . . . 5.45 1 1 77 1 . . . . . . . 2.63 1 1 78 1 . . . . . . . 2.71 1 1 79 1 . . . . . . . 4.05 1 1 80 1 . . . . . . . 4.7 1 1 81 1 . . . . . . . 2.49 1 1 82 1 . . . . . . . 3.19 1 1 83 1 . . . . . . . 6.45 1 1 84 1 . . . . . . . 3.51 1 1 85 1 . . . . . . . 3.15 1 1 86 1 . . . . . . . 4.06 1 1 87 1 . . . . . . . 2.46 1 1 88 1 . . . . . . . 3.02 1 1 89 1 . . . . . . . 3.16 1 1 90 1 . . . . . . . 2.65 1 1 91 1 . . . . . . . 3.93 1 1 92 1 . . . . . . . 2.73 1 1 93 1 . . . . . . . 2.58 1 1 94 1 . . . . . . . 2.5 1 1 95 1 . . . . . . . 4.66 1 1 96 1 . . . . . . . 6.77 1 1 97 1 . . . . . . . 2.85 1 1 98 1 . . . . . . . 2.65 1 1 99 1 . . . . . . . 3.92 1 1 100 1 . . . . . . . 2.4 1 1 101 1 . . . . . . . 2.99 1 1 102 1 . . . . . . . 3.49 1 1 103 1 . . . . . . . 3.54 1 1 104 1 . . . . . . . 3.82 1 1 105 1 . . . . . . . 3.87 1 1 106 1 . . . . . . . 2.76 1 1 107 1 . . . . . . . 3.23 1 1 108 1 . . . . . . . 4.95 1 1 109 1 . . . . . . . 2.43 1 1 110 1 . . . . . . . 3.01 1 1 111 1 . . . . . . . 3.33 1 1 112 1 . . . . . . . 5.77 1 1 113 1 . . . . . . . 6.0 1 1 114 1 . . . . . . . 4.54 1 1 115 1 . . . . . . . 2.36 1 1 116 1 . . . . . . . 4.14 1 1 117 1 . . . . . . . 2.22 1 1 118 1 . . . . . . . 7.23 1 1 119 1 . . . . . . . 2.79 1 1 120 1 . . . . . . . 3.79 1 1 121 1 . . . . . . . 3.3 1 1 122 1 . . . . . . . 5.59 1 1 123 1 . . . . . . . 4.5 1 1 124 1 . . . . . . . 2.84 1 1 125 1 . . . . . . . 2.9 1 1 126 1 . . . . . . . 3.8 1 1 127 1 . . . . . . . 2.75 1 1 128 1 . . . . . . . 2.82 1 1 129 1 . . . . . . . 4.39 1 1 130 1 . . . . . . . 4.64 1 1 131 1 . . . . . . . 5.89 1 1 132 1 . . . . . . . 2.69 1 1 133 1 . . . . . . . 4.91 1 1 134 1 . . . . . . . 2.72 1 1 135 1 . . . . . . . 2.23 1 1 136 1 . . . . . . . 3.93 1 1 137 1 . . . . . . . 3.85 1 1 138 1 . . . . . . . 3.38 1 1 139 1 . . . . . . . 3.63 1 1 140 1 . . . . . . . 3.0 1 1 141 1 . . . . . . . 3.83 1 1 142 1 . . . . . . . 4.18 1 1 143 1 . . . . . . . 5.6 1 1 144 1 . . . . . . . 2.84 1 1 145 1 . . . . . . . 3.03 1 1 146 1 . . . . . . . 2.46 1 1 147 1 . . . . . . . 3.31 1 1 148 1 . . . . . . . 4.2 1 1 149 1 . . . . . . . 4.69 1 1 150 1 . . . . . . . 2.3 1 1 151 1 . . . . . . . 3.36 1 1 152 1 . . . . . . . 3.84 1 1 153 1 . . . . . . . 4.11 1 1 154 1 . . . . . . . 2.23 1 1 155 1 . . . . . . . 2.9 1 1 156 1 . . . . . . . 3.17 1 1 157 1 . . . . . . . 3.89 1 1 158 1 . . . . . . . 2.54 1 1 159 1 . . . . . . . 2.96 1 1 160 1 . . . . . . . 4.25 1 1 161 1 . . . . . . . 3.04 1 1 stop_ save_ save_DYANA/DIANA_dihedral_4 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID 1 _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID . _Torsion_angle_constraint_list.Block_ID . loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 PHI 1 1 2 PRO C 1 1 3 THR N 1 1 3 THR CA 1 1 3 THR C -150.0 -89.99999 . 3 THR . . 3 THR . . 3 THR . . 3 THR . 1 1 2 PHI 1 1 4 PRO C 1 1 5 MET N 1 1 5 MET CA 1 1 5 MET C -150.0 -89.99999 . 5 MET . . 5 MET . . 5 MET . . 5 MET . 1 1 3 PHI 1 1 5 MET C 1 1 6 VAL N 1 1 6 VAL CA 1 1 6 VAL C -150.0 -89.99999 . 6 VAL . . 6 VAL . . 6 VAL . . 6 VAL . 1 1 4 PHI 1 1 11 VAL C 1 1 12 SER N 1 1 12 SER CA 1 1 12 SER C -150.0 -89.99999 . 12 SER . . 12 SER . . 12 SER . . 12 SER . 1 1 5 PHI 1 1 16 TRP C 1 1 17 ASP N 1 1 17 ASP CA 1 1 17 ASP C -150.0 -89.99999 . 17 ASP . . 17 ASP . . 17 ASP . . 17 ASP . 1 1 6 PHI 1 1 17 ASP C 1 1 18 GLN N 1 1 18 GLN CA 1 1 18 GLN C -150.0 -89.99999 . 18 GLN . . 18 GLN . . 18 GLN . . 18 GLN . 1 1 7 PHI 1 1 18 GLN C 1 1 19 HIS N 1 1 19 HIS CA 1 1 19 HIS C -150.0 -89.99999 . 19 HIS . . 19 HIS . . 19 HIS . . 19 HIS . 1 1 8 PHI 1 1 19 HIS C 1 1 20 ALA N 1 1 20 ALA CA 1 1 20 ALA C -150.0 -89.99999 . 20 ALA . . 20 ALA . . 20 ALA . . 20 ALA . 1 1 9 PHI 1 1 21 PRO C 1 1 22 LEU N 1 1 22 LEU CA 1 1 22 LEU C -150.0 -89.99999 . 22 LEU . . 22 LEU . . 22 LEU . . 22 LEU . 1 1 10 PHI 1 1 22 LEU C 1 1 23 ALA N 1 1 23 ALA CA 1 1 23 ALA C -150.0 -89.99999 . 23 ALA . . 23 ALA . . 23 ALA . . 23 ALA . 1 1 11 PHI 1 1 23 ALA C 1 1 24 ASP N 1 1 24 ASP CA 1 1 24 ASP C -150.0 -89.99999 . 24 ASP . . 24 ASP . . 24 ASP . . 24 ASP . 1 1 stop_ save_ save_conformer_family_coord_set_1 _Conformer_family_coord_set.Sf_category conformer_family_coord_set _Conformer_family_coord_set.Entry_ID 1 _Conformer_family_coord_set.ID 1 loop_ _Atom_site.Model_ID _Atom_site.ID _Atom_site.Label_entity_assembly_ID _Atom_site.Label_entity_ID _Atom_site.Label_comp_index_ID _Atom_site.Label_comp_ID _Atom_site.Label_atom_ID _Atom_site.Type_symbol _Atom_site.Cartn_x _Atom_site.Cartn_y _Atom_site.Cartn_z _Atom_site.Occupancy _Atom_site.Uncertainty _Atom_site.PDBX_label_asym_ID _Atom_site.PDB_strand_ID _Atom_site.PDB_ins_code _Atom_site.PDB_residue_no _Atom_site.PDB_residue_name _Atom_site.PDB_atom_name _Atom_site.Entry_ID _Atom_site.Conformer_family_coord_set_ID 1 1 1 1 1 GLY C C 2.566 -0.876 -1.850 1.00 . A A . 1 GLY C 1 1 1 2 1 1 1 GLY CA C 1.914 0.365 -1.184 1.00 . A A . 1 GLY CA 1 1 1 3 1 1 1 GLY H1 H 1.818 -0.379 0.759 1.00 . A A . 1 GLY H1 1 1 1 4 1 1 1 GLY HA2 H 1.198 0.793 -1.884 1.00 . A A . 1 GLY HA2 1 1 1 5 1 1 1 GLY HA3 H 2.685 1.109 -0.978 1.00 . A A . 1 GLY HA3 1 1 1 6 1 1 1 GLY N N 1.226 0.070 0.079 1.00 . A A . 1 GLY N 1 1 1 7 1 1 1 GLY O O 2.103 -2.003 -1.654 1.00 . A A . 1 GLY O 1 1 1 8 1 1 2 PRO C C 4.885 -2.851 -3.230 1.00 . A A . 2 PRO C 1 1 1 9 1 1 2 PRO CA C 3.950 -1.734 -3.737 1.00 . A A . 2 PRO CA 1 1 1 10 1 1 2 PRO CB C 4.646 -0.932 -4.844 1.00 . A A . 2 PRO CB 1 1 1 11 1 1 2 PRO CD C 4.244 0.545 -3.019 1.00 . A A . 2 PRO CD 1 1 1 12 1 1 2 PRO CG C 5.300 0.216 -4.072 1.00 . A A . 2 PRO CG 1 1 1 13 1 1 2 PRO HA H 3.064 -2.213 -4.155 1.00 . A A . 2 PRO HA 1 1 1 14 1 1 2 PRO HB2 H 5.383 -1.524 -5.388 1.00 . A A . 2 PRO HB2 1 1 1 15 1 1 2 PRO HB3 H 3.897 -0.530 -5.530 1.00 . A A . 2 PRO HB3 1 1 1 16 1 1 2 PRO HD2 H 4.718 0.938 -2.116 1.00 . A A . 2 PRO HD2 1 1 1 17 1 1 2 PRO HD3 H 3.538 1.270 -3.426 1.00 . A A . 2 PRO HD3 1 1 1 18 1 1 2 PRO HG2 H 6.211 -0.134 -3.583 1.00 . A A . 2 PRO HG2 1 1 1 19 1 1 2 PRO HG3 H 5.511 1.077 -4.706 1.00 . A A . 2 PRO HG3 1 1 1 20 1 1 2 PRO N N 3.552 -0.708 -2.754 1.00 . A A . 2 PRO N 1 1 1 21 1 1 2 PRO O O 5.007 -3.883 -3.889 1.00 . A A . 2 PRO O 1 1 1 22 1 1 3 THR C C 5.995 -4.862 -0.964 1.00 . A A . 3 THR C 1 1 1 23 1 1 3 THR CA C 6.590 -3.547 -1.524 1.00 . A A . 3 THR CA 1 1 1 24 1 1 3 THR CB C 7.442 -2.796 -0.464 1.00 . A A . 3 THR CB 1 1 1 25 1 1 3 THR CG2 C 6.641 -1.718 0.256 1.00 . A A . 3 THR CG2 1 1 1 26 1 1 3 THR H H 5.355 -1.801 -1.596 1.00 . A A . 3 THR H 1 1 1 27 1 1 3 THR HA H 7.263 -3.810 -2.337 1.00 . A A . 3 THR HA 1 1 1 28 1 1 3 THR HB H 8.290 -2.317 -0.957 1.00 . A A . 3 THR HB 1 1 1 29 1 1 3 THR HG1 H 8.900 -3.559 0.581 1.00 . A A . 3 THR HG1 1 1 1 30 1 1 3 THR HG21 H 5.693 -2.154 0.560 1.00 . A A . 3 THR HG21 1 1 1 31 1 1 3 THR HG22 H 6.478 -0.870 -0.409 1.00 . A A . 3 THR HG22 1 1 1 32 1 1 3 THR HG23 H 7.161 -1.344 1.129 1.00 . A A . 3 THR HG23 1 1 1 33 1 1 3 THR N N 5.561 -2.651 -2.099 1.00 . A A . 3 THR N 1 1 1 34 1 1 3 THR O O 4.827 -4.904 -0.575 1.00 . A A . 3 THR O 1 1 1 35 1 1 3 THR OG1 O 7.928 -3.643 0.558 1.00 . A A . 3 THR OG1 1 1 1 36 1 1 4 PRO C C 6.452 -7.384 1.137 1.00 . A A . 4 PRO C 1 1 1 37 1 1 4 PRO CA C 6.332 -7.267 -0.403 1.00 . A A . 4 PRO CA 1 1 1 38 1 1 4 PRO CB C 7.225 -8.272 -1.147 1.00 . A A . 4 PRO CB 1 1 1 39 1 1 4 PRO CD C 8.100 -6.093 -1.515 1.00 . A A . 4 PRO CD 1 1 1 40 1 1 4 PRO CG C 8.555 -7.523 -1.235 1.00 . A A . 4 PRO CG 1 1 1 41 1 1 4 PRO HA H 5.292 -7.447 -0.674 1.00 . A A . 4 PRO HA 1 1 1 42 1 1 4 PRO HB2 H 7.323 -9.227 -0.631 1.00 . A A . 4 PRO HB2 1 1 1 43 1 1 4 PRO HB3 H 6.833 -8.435 -2.153 1.00 . A A . 4 PRO HB3 1 1 1 44 1 1 4 PRO HD2 H 8.803 -5.383 -1.080 1.00 . A A . 4 PRO HD2 1 1 1 45 1 1 4 PRO HD3 H 8.029 -5.943 -2.594 1.00 . A A . 4 PRO HD3 1 1 1 46 1 1 4 PRO HG2 H 9.079 -7.565 -0.278 1.00 . A A . 4 PRO HG2 1 1 1 47 1 1 4 PRO HG3 H 9.186 -7.907 -2.035 1.00 . A A . 4 PRO HG3 1 1 1 48 1 1 4 PRO N N 6.770 -5.969 -0.925 1.00 . A A . 4 PRO N 1 1 1 49 1 1 4 PRO O O 7.226 -8.202 1.642 1.00 . A A . 4 PRO O 1 1 1 50 1 1 5 MET C C 4.087 -6.717 3.810 1.00 . A A . 5 MET C 1 1 1 51 1 1 5 MET CA C 5.572 -6.724 3.371 1.00 . A A . 5 MET CA 1 1 1 52 1 1 5 MET CB C 6.456 -5.668 4.067 1.00 . A A . 5 MET CB 1 1 1 53 1 1 5 MET CE C 10.607 -5.145 3.907 1.00 . A A . 5 MET CE 1 1 1 54 1 1 5 MET CG C 7.943 -5.800 3.722 1.00 . A A . 5 MET CG 1 1 1 55 1 1 5 MET H H 5.085 -5.913 1.448 1.00 . A A . 5 MET H 1 1 1 56 1 1 5 MET HA H 5.953 -7.703 3.664 1.00 . A A . 5 MET HA 1 1 1 57 1 1 5 MET HB2 H 6.129 -4.681 3.764 1.00 . A A . 5 MET HB2 1 1 1 58 1 1 5 MET HB3 H 6.346 -5.763 5.149 1.00 . A A . 5 MET HB3 1 1 1 59 1 1 5 MET HE1 H 11.395 -4.482 4.263 1.00 . A A . 5 MET HE1 1 1 1 60 1 1 5 MET HE2 H 10.838 -6.171 4.190 1.00 . A A . 5 MET HE2 1 1 1 61 1 1 5 MET HE3 H 10.544 -5.078 2.821 1.00 . A A . 5 MET HE3 1 1 1 62 1 1 5 MET HG2 H 8.262 -6.823 3.924 1.00 . A A . 5 MET HG2 1 1 1 63 1 1 5 MET HG3 H 8.069 -5.603 2.656 1.00 . A A . 5 MET HG3 1 1 1 64 1 1 5 MET N N 5.679 -6.607 1.903 1.00 . A A . 5 MET N 1 1 1 65 1 1 5 MET O O 3.314 -7.534 3.311 1.00 . A A . 5 MET O 1 1 1 66 1 1 5 MET SD S 9.022 -4.662 4.637 1.00 . A A . 5 MET SD 1 1 1 67 1 1 6 VAL C C 1.991 -4.368 5.890 1.00 . A A . 6 VAL C 1 1 1 68 1 1 6 VAL CA C 2.238 -5.680 5.127 1.00 . A A . 6 VAL CA 1 1 1 69 1 1 6 VAL CB C 1.739 -6.897 5.947 1.00 . A A . 6 VAL CB 1 1 1 70 1 1 6 VAL CG1 C 2.403 -7.042 7.324 1.00 . A A . 6 VAL CG1 1 1 1 71 1 1 6 VAL CG2 C 0.215 -6.899 6.117 1.00 . A A . 6 VAL CG2 1 1 1 72 1 1 6 VAL H H 4.323 -5.193 5.120 1.00 . A A . 6 VAL H 1 1 1 73 1 1 6 VAL HA H 1.664 -5.641 4.203 1.00 . A A . 6 VAL HA 1 1 1 74 1 1 6 VAL HB H 1.976 -7.802 5.392 1.00 . A A . 6 VAL HB 1 1 1 75 1 1 6 VAL HG11 H 3.487 -7.007 7.216 1.00 . A A . 6 VAL HG11 1 1 1 76 1 1 6 VAL HG12 H 2.089 -6.239 7.989 1.00 . A A . 6 VAL HG12 1 1 1 77 1 1 6 VAL HG13 H 2.125 -7.998 7.766 1.00 . A A . 6 VAL HG13 1 1 1 78 1 1 6 VAL HG21 H -0.264 -6.789 5.143 1.00 . A A . 6 VAL HG21 1 1 1 79 1 1 6 VAL HG22 H -0.093 -7.850 6.552 1.00 . A A . 6 VAL HG22 1 1 1 80 1 1 6 VAL HG23 H -0.102 -6.091 6.775 1.00 . A A . 6 VAL HG23 1 1 1 81 1 1 6 VAL N N 3.660 -5.862 4.757 1.00 . A A . 6 VAL N 1 1 1 82 1 1 6 VAL O O 2.796 -3.984 6.735 1.00 . A A . 6 VAL O 1 1 1 83 1 1 7 GLY C C 0.803 -1.208 6.032 1.00 . A A . 7 GLY C 1 1 1 84 1 1 7 GLY CA C 0.345 -2.600 6.494 1.00 . A A . 7 GLY CA 1 1 1 85 1 1 7 GLY H H 0.266 -4.026 4.900 1.00 . A A . 7 GLY H 1 1 1 86 1 1 7 GLY HA2 H -0.744 -2.619 6.470 1.00 . A A . 7 GLY HA2 1 1 1 87 1 1 7 GLY HA3 H 0.664 -2.747 7.528 1.00 . A A . 7 GLY HA3 1 1 1 88 1 1 7 GLY N N 0.841 -3.718 5.671 1.00 . A A . 7 GLY N 1 1 1 89 1 1 7 GLY O O 1.401 -1.072 4.973 1.00 . A A . 7 GLY O 1 1 1 90 1 1 8 LEU C C 0.023 1.924 5.457 1.00 . A A . 8 LEU C 1 1 1 91 1 1 8 LEU CA C 0.820 1.272 6.607 1.00 . A A . 8 LEU CA 1 1 1 92 1 1 8 LEU CB C 2.350 1.453 6.448 1.00 . A A . 8 LEU CB 1 1 1 93 1 1 8 LEU CD1 C 2.324 4.044 6.179 1.00 . A A . 8 LEU CD1 1 1 1 94 1 1 8 LEU CD2 C 3.022 3.027 8.322 1.00 . A A . 8 LEU CD2 1 1 1 95 1 1 8 LEU CG C 2.984 2.815 6.805 1.00 . A A . 8 LEU CG 1 1 1 96 1 1 8 LEU H H -0.017 -0.380 7.657 1.00 . A A . 8 LEU H 1 1 1 97 1 1 8 LEU HA H 0.528 1.803 7.513 1.00 . A A . 8 LEU HA 1 1 1 98 1 1 8 LEU HB2 H 2.836 0.719 7.083 1.00 . A A . 8 LEU HB2 1 1 1 99 1 1 8 LEU HB3 H 2.624 1.211 5.422 1.00 . A A . 8 LEU HB3 1 1 1 100 1 1 8 LEU HD11 H 2.967 4.913 6.306 1.00 . A A . 8 LEU HD11 1 1 1 101 1 1 8 LEU HD12 H 1.359 4.247 6.637 1.00 . A A . 8 LEU HD12 1 1 1 102 1 1 8 LEU HD13 H 2.174 3.894 5.110 1.00 . A A . 8 LEU HD13 1 1 1 103 1 1 8 LEU HD21 H 3.527 2.184 8.792 1.00 . A A . 8 LEU HD21 1 1 1 104 1 1 8 LEU HD22 H 2.011 3.114 8.717 1.00 . A A . 8 LEU HD22 1 1 1 105 1 1 8 LEU HD23 H 3.575 3.937 8.554 1.00 . A A . 8 LEU HD23 1 1 1 106 1 1 8 LEU HG H 4.019 2.781 6.460 1.00 . A A . 8 LEU HG 1 1 1 107 1 1 8 LEU N N 0.501 -0.163 6.822 1.00 . A A . 8 LEU N 1 1 1 108 1 1 8 LEU O O -0.617 2.949 5.676 1.00 . A A . 8 LEU O 1 1 1 109 1 1 9 ASP C C -2.016 1.917 2.853 1.00 . A A . 9 ASP C 1 1 1 110 1 1 9 ASP CA C -0.494 1.603 2.936 1.00 . A A . 9 ASP CA 1 1 1 111 1 1 9 ASP CB C -0.095 0.393 2.055 1.00 . A A . 9 ASP CB 1 1 1 112 1 1 9 ASP CG C 0.132 0.681 0.558 1.00 . A A . 9 ASP CG 1 1 1 113 1 1 9 ASP H H 0.598 0.449 4.314 1.00 . A A . 9 ASP H 1 1 1 114 1 1 9 ASP HA H 0.037 2.484 2.570 1.00 . A A . 9 ASP HA 1 1 1 115 1 1 9 ASP HB2 H 0.831 -0.037 2.448 1.00 . A A . 9 ASP HB2 1 1 1 116 1 1 9 ASP HB3 H -0.860 -0.376 2.167 1.00 . A A . 9 ASP HB3 1 1 1 117 1 1 9 ASP N N 0.024 1.285 4.285 1.00 . A A . 9 ASP N 1 1 1 118 1 1 9 ASP O O -2.681 1.651 1.858 1.00 . A A . 9 ASP O 1 1 1 119 1 1 9 ASP OD1 O -0.918 0.631 -0.129 1.00 . A A . 9 ASP OD1 1 1 1 120 1 1 10 SER C C -4.638 3.748 2.950 1.00 . A A . 10 SER C 1 1 1 121 1 1 10 SER CA C -4.076 2.775 4.005 1.00 . A A . 10 SER CA 1 1 1 122 1 1 10 SER CB C -4.388 3.313 5.407 1.00 . A A . 10 SER CB 1 1 1 123 1 1 10 SER H H -2.021 2.719 4.662 1.00 . A A . 10 SER H 1 1 1 124 1 1 10 SER HA H -4.615 1.835 3.888 1.00 . A A . 10 SER HA 1 1 1 125 1 1 10 SER HB2 H -3.938 2.668 6.163 1.00 . A A . 10 SER HB2 1 1 1 126 1 1 10 SER HB3 H -3.977 4.319 5.510 1.00 . A A . 10 SER HB3 1 1 1 127 1 1 10 SER HG H -6.182 3.685 4.785 1.00 . A A . 10 SER HG 1 1 1 128 1 1 10 SER N N -2.634 2.483 3.891 1.00 . A A . 10 SER N 1 1 1 129 1 1 10 SER O O -5.835 4.029 2.971 1.00 . A A . 10 SER O 1 1 1 130 1 1 10 SER OG O -5.789 3.343 5.607 1.00 . A A . 10 SER OG 1 1 1 131 1 1 11 VAL C C -4.476 4.185 -0.377 1.00 . A A . 11 VAL C 1 1 1 132 1 1 11 VAL CA C -4.230 5.066 0.869 1.00 . A A . 11 VAL CA 1 1 1 133 1 1 11 VAL CB C -3.216 6.203 0.578 1.00 . A A . 11 VAL CB 1 1 1 134 1 1 11 VAL CG1 C -3.824 7.296 -0.316 1.00 . A A . 11 VAL CG1 1 1 1 135 1 1 11 VAL CG2 C -2.757 6.918 1.862 1.00 . A A . 11 VAL CG2 1 1 1 136 1 1 11 VAL H H -2.851 3.949 2.090 1.00 . A A . 11 VAL H 1 1 1 137 1 1 11 VAL HA H -5.182 5.542 1.109 1.00 . A A . 11 VAL HA 1 1 1 138 1 1 11 VAL HB H -2.335 5.790 0.086 1.00 . A A . 11 VAL HB 1 1 1 139 1 1 11 VAL HG11 H -4.012 6.906 -1.315 1.00 . A A . 11 VAL HG11 1 1 1 140 1 1 11 VAL HG12 H -4.760 7.651 0.115 1.00 . A A . 11 VAL HG12 1 1 1 141 1 1 11 VAL HG13 H -3.134 8.135 -0.414 1.00 . A A . 11 VAL HG13 1 1 1 142 1 1 11 VAL HG21 H -2.151 6.248 2.472 1.00 . A A . 11 VAL HG21 1 1 1 143 1 1 11 VAL HG22 H -2.133 7.778 1.616 1.00 . A A . 11 VAL HG22 1 1 1 144 1 1 11 VAL HG23 H -3.624 7.250 2.435 1.00 . A A . 11 VAL HG23 1 1 1 145 1 1 11 VAL N N -3.810 4.266 2.037 1.00 . A A . 11 VAL N 1 1 1 146 1 1 11 VAL O O -5.077 4.642 -1.349 1.00 . A A . 11 VAL O 1 1 1 147 1 1 12 SER C C -4.667 0.498 -0.948 1.00 . A A . 12 SER C 1 1 1 148 1 1 12 SER CA C -4.366 1.926 -1.431 1.00 . A A . 12 SER CA 1 1 1 149 1 1 12 SER CB C -3.237 1.928 -2.462 1.00 . A A . 12 SER CB 1 1 1 150 1 1 12 SER H H -3.479 2.604 0.399 1.00 . A A . 12 SER H 1 1 1 151 1 1 12 SER HA H -5.272 2.237 -1.951 1.00 . A A . 12 SER HA 1 1 1 152 1 1 12 SER HB2 H -2.270 1.856 -1.961 1.00 . A A . 12 SER HB2 1 1 1 153 1 1 12 SER HB3 H -3.345 1.084 -3.142 1.00 . A A . 12 SER HB3 1 1 1 154 1 1 12 SER HG H -3.831 3.765 -2.676 1.00 . A A . 12 SER HG 1 1 1 155 1 1 12 SER N N -4.070 2.909 -0.368 1.00 . A A . 12 SER N 1 1 1 156 1 1 12 SER O O -5.097 -0.330 -1.745 1.00 . A A . 12 SER O 1 1 1 157 1 1 12 SER OG O -3.329 3.129 -3.207 1.00 . A A . 12 SER OG 1 1 1 158 1 1 13 GLY C C -3.949 -2.209 0.760 1.00 . A A . 13 GLY C 1 1 1 159 1 1 13 GLY CA C -4.946 -1.064 0.961 1.00 . A A . 13 GLY CA 1 1 1 160 1 1 13 GLY H H -4.048 0.888 0.920 1.00 . A A . 13 GLY H 1 1 1 161 1 1 13 GLY HA2 H -5.075 -0.919 2.032 1.00 . A A . 13 GLY HA2 1 1 1 162 1 1 13 GLY HA3 H -5.906 -1.376 0.543 1.00 . A A . 13 GLY HA3 1 1 1 163 1 1 13 GLY N N -4.534 0.207 0.349 1.00 . A A . 13 GLY N 1 1 1 164 1 1 13 GLY O O -4.352 -3.369 0.814 1.00 . A A . 13 GLY O 1 1 1 165 1 1 14 GLN C C -0.524 -3.075 0.950 1.00 . A A . 14 GLN C 1 1 1 166 1 1 14 GLN CA C -1.668 -2.784 -0.067 1.00 . A A . 14 GLN CA 1 1 1 167 1 1 14 GLN CB C -1.286 -2.183 -1.442 1.00 . A A . 14 GLN CB 1 1 1 168 1 1 14 GLN CD C -0.729 -4.186 -2.985 1.00 . A A . 14 GLN CD 1 1 1 169 1 1 14 GLN CG C -1.663 -3.024 -2.673 1.00 . A A . 14 GLN CG 1 1 1 170 1 1 14 GLN H H -2.441 -0.902 0.491 1.00 . A A . 14 GLN H 1 1 1 171 1 1 14 GLN HA H -2.135 -3.753 -0.241 1.00 . A A . 14 GLN HA 1 1 1 172 1 1 14 GLN HB2 H -1.818 -1.241 -1.583 1.00 . A A . 14 GLN HB2 1 1 1 173 1 1 14 GLN HB3 H -0.242 -1.916 -1.459 1.00 . A A . 14 GLN HB3 1 1 1 174 1 1 14 GLN HE21 H 1.016 -3.160 -2.593 1.00 . A A . 14 GLN HE21 1 1 1 175 1 1 14 GLN HE22 H 1.122 -4.822 -3.167 1.00 . A A . 14 GLN HE22 1 1 1 176 1 1 14 GLN HG2 H -2.678 -3.406 -2.548 1.00 . A A . 14 GLN HG2 1 1 1 177 1 1 14 GLN HG3 H -1.668 -2.367 -3.543 1.00 . A A . 14 GLN HG3 1 1 1 178 1 1 14 GLN N N -2.681 -1.889 0.497 1.00 . A A . 14 GLN N 1 1 1 179 1 1 14 GLN NE2 N 0.575 -4.024 -2.900 1.00 . A A . 14 GLN NE2 1 1 1 180 1 1 14 GLN O O -0.734 -2.996 2.163 1.00 . A A . 14 GLN O 1 1 1 181 1 1 14 GLN OE1 O -1.161 -5.265 -3.355 1.00 . A A . 14 GLN OE1 1 1 1 182 1 1 15 TYR C C 2.855 -3.700 1.844 1.00 . A A . 15 TYR C 1 1 1 183 1 1 15 TYR CA C 1.567 -4.371 1.312 1.00 . A A . 15 TYR CA 1 1 1 184 1 1 15 TYR CB C 1.817 -5.700 0.568 1.00 . A A . 15 TYR CB 1 1 1 185 1 1 15 TYR CD1 C 0.212 -7.312 1.701 1.00 . A A . 15 TYR CD1 1 1 1 186 1 1 15 TYR CD2 C -0.137 -6.769 -0.641 1.00 . A A . 15 TYR CD2 1 1 1 187 1 1 15 TYR CE1 C -0.939 -8.128 1.681 1.00 . A A . 15 TYR CE1 1 1 1 188 1 1 15 TYR CE2 C -1.296 -7.564 -0.667 1.00 . A A . 15 TYR CE2 1 1 1 189 1 1 15 TYR CG C 0.604 -6.614 0.542 1.00 . A A . 15 TYR CG 1 1 1 190 1 1 15 TYR CZ C -1.703 -8.241 0.502 1.00 . A A . 15 TYR CZ 1 1 1 191 1 1 15 TYR H H 0.860 -3.466 -0.478 1.00 . A A . 15 TYR H 1 1 1 192 1 1 15 TYR HA H 1.039 -4.651 2.221 1.00 . A A . 15 TYR HA 1 1 1 193 1 1 15 TYR HB2 H 2.146 -5.486 -0.449 1.00 . A A . 15 TYR HB2 1 1 1 194 1 1 15 TYR HB3 H 2.620 -6.257 1.049 1.00 . A A . 15 TYR HB3 1 1 1 195 1 1 15 TYR HD1 H 0.804 -7.230 2.600 1.00 . A A . 15 TYR HD1 1 1 1 196 1 1 15 TYR HD2 H 0.191 -6.274 -1.538 1.00 . A A . 15 TYR HD2 1 1 1 197 1 1 15 TYR HE1 H -1.247 -8.668 2.562 1.00 . A A . 15 TYR HE1 1 1 1 198 1 1 15 TYR HE2 H -1.863 -7.647 -1.582 1.00 . A A . 15 TYR HE2 1 1 1 199 1 1 15 TYR HH H -3.281 -8.870 -0.353 1.00 . A A . 15 TYR HH 1 1 1 200 1 1 15 TYR N N 0.656 -3.529 0.509 1.00 . A A . 15 TYR N 1 1 1 201 1 1 15 TYR O O 3.810 -4.412 2.125 1.00 . A A . 15 TYR O 1 1 1 202 1 1 15 TYR OH O -2.824 -9.009 0.477 1.00 . A A . 15 TYR OH 1 1 1 203 1 1 16 TRP C C 4.298 -0.321 1.980 1.00 . A A . 16 TRP C 1 1 1 204 1 1 16 TRP CA C 3.819 -1.516 2.819 1.00 . A A . 16 TRP CA 1 1 1 205 1 1 16 TRP CB C 4.963 -2.303 3.492 1.00 . A A . 16 TRP CB 1 1 1 206 1 1 16 TRP CD1 C 7.233 -1.383 4.095 1.00 . A A . 16 TRP CD1 1 1 1 207 1 1 16 TRP CD2 C 5.763 -1.162 5.774 1.00 . A A . 16 TRP CD2 1 1 1 208 1 1 16 TRP CE2 C 7.002 -0.623 6.233 1.00 . A A . 16 TRP CE2 1 1 1 209 1 1 16 TRP CE3 C 4.701 -1.190 6.700 1.00 . A A . 16 TRP CE3 1 1 1 210 1 1 16 TRP CG C 5.933 -1.600 4.391 1.00 . A A . 16 TRP CG 1 1 1 211 1 1 16 TRP CH2 C 6.079 -0.118 8.411 1.00 . A A . 16 TRP CH2 1 1 1 212 1 1 16 TRP CZ2 C 7.166 -0.091 7.520 1.00 . A A . 16 TRP CZ2 1 1 1 213 1 1 16 TRP CZ3 C 4.860 -0.689 8.009 1.00 . A A . 16 TRP CZ3 1 1 1 214 1 1 16 TRP H H 2.010 -1.923 1.753 1.00 . A A . 16 TRP H 1 1 1 215 1 1 16 TRP HA H 3.269 -1.062 3.633 1.00 . A A . 16 TRP HA 1 1 1 216 1 1 16 TRP HB2 H 4.505 -3.077 4.109 1.00 . A A . 16 TRP HB2 1 1 1 217 1 1 16 TRP HB3 H 5.547 -2.786 2.710 1.00 . A A . 16 TRP HB3 1 1 1 218 1 1 16 TRP HD1 H 7.707 -1.682 3.167 1.00 . A A . 16 TRP HD1 1 1 1 219 1 1 16 TRP HE1 H 8.845 -0.573 5.169 1.00 . A A . 16 TRP HE1 1 1 1 220 1 1 16 TRP HE3 H 3.763 -1.631 6.396 1.00 . A A . 16 TRP HE3 1 1 1 221 1 1 16 TRP HH2 H 6.186 0.280 9.411 1.00 . A A . 16 TRP HH2 1 1 1 222 1 1 16 TRP HZ2 H 8.115 0.322 7.825 1.00 . A A . 16 TRP HZ2 1 1 1 223 1 1 16 TRP HZ3 H 4.032 -0.736 8.704 1.00 . A A . 16 TRP HZ3 1 1 1 224 1 1 16 TRP N N 2.851 -2.378 2.074 1.00 . A A . 16 TRP N 1 1 1 225 1 1 16 TRP NE1 N 7.862 -0.796 5.171 1.00 . A A . 16 TRP NE1 1 1 1 226 1 1 16 TRP O O 4.036 -0.250 0.786 1.00 . A A . 16 TRP O 1 1 1 227 1 1 17 ASP C C 5.988 2.957 2.584 1.00 . A A . 17 ASP C 1 1 1 228 1 1 17 ASP CA C 4.767 2.076 2.222 1.00 . A A . 17 ASP CA 1 1 1 229 1 1 17 ASP CB C 3.500 2.591 2.938 1.00 . A A . 17 ASP CB 1 1 1 230 1 1 17 ASP CG C 2.581 3.461 2.081 1.00 . A A . 17 ASP CG 1 1 1 231 1 1 17 ASP H H 5.130 0.486 3.598 1.00 . A A . 17 ASP H 1 1 1 232 1 1 17 ASP HA H 4.611 2.133 1.142 1.00 . A A . 17 ASP HA 1 1 1 233 1 1 17 ASP HB2 H 2.889 1.747 3.260 1.00 . A A . 17 ASP HB2 1 1 1 234 1 1 17 ASP HB3 H 3.801 3.121 3.839 1.00 . A A . 17 ASP HB3 1 1 1 235 1 1 17 ASP N N 4.912 0.669 2.633 1.00 . A A . 17 ASP N 1 1 1 236 1 1 17 ASP O O 5.969 4.176 2.417 1.00 . A A . 17 ASP O 1 1 1 237 1 1 17 ASP OD1 O 2.050 2.911 1.090 1.00 . A A . 17 ASP OD1 1 1 1 238 1 1 17 ASP OD2 O 2.291 4.603 2.500 1.00 . A A . 17 ASP OD2 1 1 1 239 1 1 18 GLN C C 9.487 3.023 3.301 1.00 . A A . 18 GLN C 1 1 1 240 1 1 18 GLN CA C 8.074 3.117 3.907 1.00 . A A . 18 GLN CA 1 1 1 241 1 1 18 GLN CB C 8.044 2.716 5.392 1.00 . A A . 18 GLN CB 1 1 1 242 1 1 18 GLN CD C 9.435 3.090 7.489 1.00 . A A . 18 GLN CD 1 1 1 243 1 1 18 GLN CG C 8.839 3.724 6.244 1.00 . A A . 18 GLN CG 1 1 1 244 1 1 18 GLN H H 7.087 1.370 3.093 1.00 . A A . 18 GLN H 1 1 1 245 1 1 18 GLN HA H 7.808 4.174 3.887 1.00 . A A . 18 GLN HA 1 1 1 246 1 1 18 GLN HB2 H 7.014 2.680 5.756 1.00 . A A . 18 GLN HB2 1 1 1 247 1 1 18 GLN HB3 H 8.477 1.723 5.493 1.00 . A A . 18 GLN HB3 1 1 1 248 1 1 18 GLN HE21 H 10.677 1.901 6.411 1.00 . A A . 18 GLN HE21 1 1 1 249 1 1 18 GLN HE22 H 10.718 1.782 8.185 1.00 . A A . 18 GLN HE22 1 1 1 250 1 1 18 GLN HG2 H 9.666 4.146 5.673 1.00 . A A . 18 GLN HG2 1 1 1 251 1 1 18 GLN HG3 H 8.179 4.543 6.530 1.00 . A A . 18 GLN HG3 1 1 1 252 1 1 18 GLN N N 7.047 2.377 3.164 1.00 . A A . 18 GLN N 1 1 1 253 1 1 18 GLN NE2 N 10.373 2.179 7.333 1.00 . A A . 18 GLN NE2 1 1 1 254 1 1 18 GLN O O 10.342 2.301 3.821 1.00 . A A . 18 GLN O 1 1 1 255 1 1 18 GLN OE1 O 9.113 3.430 8.614 1.00 . A A . 18 GLN OE1 1 1 1 256 1 1 19 HIS C C 12.331 3.746 2.294 1.00 . A A . 19 HIS C 1 1 1 257 1 1 19 HIS CA C 11.013 4.180 1.609 1.00 . A A . 19 HIS CA 1 1 1 258 1 1 19 HIS CB C 11.039 5.673 1.229 1.00 . A A . 19 HIS CB 1 1 1 259 1 1 19 HIS CD2 C 9.924 7.704 2.306 1.00 . A A . 19 HIS CD2 1 1 1 260 1 1 19 HIS CE1 C 10.482 7.352 4.429 1.00 . A A . 19 HIS CE1 1 1 1 261 1 1 19 HIS CG C 10.736 6.609 2.373 1.00 . A A . 19 HIS CG 1 1 1 262 1 1 19 HIS H H 8.905 4.315 1.928 1.00 . A A . 19 HIS H 1 1 1 263 1 1 19 HIS HA H 10.961 3.630 0.673 1.00 . A A . 19 HIS HA 1 1 1 264 1 1 19 HIS HB2 H 12.012 5.923 0.802 1.00 . A A . 19 HIS HB2 1 1 1 265 1 1 19 HIS HB3 H 10.297 5.842 0.446 1.00 . A A . 19 HIS HB3 1 1 1 266 1 1 19 HIS HD1 H 11.659 5.596 3.981 1.00 . A A . 19 HIS HD1 1 1 1 267 1 1 19 HIS HD2 H 9.450 8.073 1.400 1.00 . A A . 19 HIS HD2 1 1 1 268 1 1 19 HIS HE1 H 10.510 7.407 5.515 1.00 . A A . 19 HIS HE1 1 1 1 269 1 1 19 HIS HE2 H 9.169 8.931 3.881 1.00 . A A . 19 HIS HE2 1 1 1 270 1 1 19 HIS N N 9.741 3.888 2.310 1.00 . A A . 19 HIS N 1 1 1 271 1 1 19 HIS ND1 N 11.092 6.403 3.690 1.00 . A A . 19 HIS ND1 1 1 1 272 1 1 19 HIS NE2 N 9.775 8.164 3.606 1.00 . A A . 19 HIS NE2 1 1 1 273 1 1 19 HIS O O 12.557 4.070 3.469 1.00 . A A . 19 HIS O 1 1 1 274 1 1 20 ALA C C 14.290 1.107 0.669 1.00 . A A . 20 ALA C 1 1 1 275 1 1 20 ALA CA C 14.386 2.267 1.701 1.00 . A A . 20 ALA CA 1 1 1 276 1 1 20 ALA CB C 14.446 1.729 3.141 1.00 . A A . 20 ALA CB 1 1 1 277 1 1 20 ALA H H 12.934 3.163 0.519 1.00 . A A . 20 ALA H 1 1 1 278 1 1 20 ALA HA H 15.286 2.846 1.496 1.00 . A A . 20 ALA HA 1 1 1 279 1 1 20 ALA HB1 H 14.640 2.545 3.838 1.00 . A A . 20 ALA HB1 1 1 1 280 1 1 20 ALA HB2 H 13.498 1.251 3.395 1.00 . A A . 20 ALA HB2 1 1 1 281 1 1 20 ALA HB3 H 15.248 0.996 3.228 1.00 . A A . 20 ALA HB3 1 1 1 282 1 1 20 ALA N N 13.217 3.138 1.500 1.00 . A A . 20 ALA N 1 1 1 283 1 1 20 ALA O O 13.183 0.655 0.408 1.00 . A A . 20 ALA O 1 1 1 284 1 1 21 PRO C C 14.825 -1.824 -0.795 1.00 . A A . 21 PRO C 1 1 1 285 1 1 21 PRO CA C 15.366 -0.385 -1.035 1.00 . A A . 21 PRO CA 1 1 1 286 1 1 21 PRO CB C 16.809 -0.362 -1.568 1.00 . A A . 21 PRO CB 1 1 1 287 1 1 21 PRO CD C 16.761 0.890 0.452 1.00 . A A . 21 PRO CD 1 1 1 288 1 1 21 PRO CG C 17.633 -0.106 -0.311 1.00 . A A . 21 PRO CG 1 1 1 289 1 1 21 PRO HA H 14.722 0.046 -1.805 1.00 . A A . 21 PRO HA 1 1 1 290 1 1 21 PRO HB2 H 17.113 -1.283 -2.069 1.00 . A A . 21 PRO HB2 1 1 1 291 1 1 21 PRO HB3 H 16.924 0.477 -2.256 1.00 . A A . 21 PRO HB3 1 1 1 292 1 1 21 PRO HD2 H 16.949 0.809 1.522 1.00 . A A . 21 PRO HD2 1 1 1 293 1 1 21 PRO HD3 H 16.974 1.902 0.103 1.00 . A A . 21 PRO HD3 1 1 1 294 1 1 21 PRO HG2 H 17.730 -1.033 0.259 1.00 . A A . 21 PRO HG2 1 1 1 295 1 1 21 PRO HG3 H 18.615 0.306 -0.545 1.00 . A A . 21 PRO HG3 1 1 1 296 1 1 21 PRO N N 15.387 0.540 0.125 1.00 . A A . 21 PRO N 1 1 1 297 1 1 21 PRO O O 15.273 -2.771 -1.436 1.00 . A A . 21 PRO O 1 1 1 298 1 1 22 LEU C C 11.488 -2.696 0.513 1.00 . A A . 22 LEU C 1 1 1 299 1 1 22 LEU CA C 12.939 -3.148 0.216 1.00 . A A . 22 LEU CA 1 1 1 300 1 1 22 LEU CB C 13.399 -4.125 1.323 1.00 . A A . 22 LEU CB 1 1 1 301 1 1 22 LEU CD1 C 15.106 -5.602 2.381 1.00 . A A . 22 LEU CD1 1 1 1 302 1 1 22 LEU CD2 C 14.740 -5.783 -0.057 1.00 . A A . 22 LEU CD2 1 1 1 303 1 1 22 LEU CG C 14.761 -4.805 1.121 1.00 . A A . 22 LEU CG 1 1 1 304 1 1 22 LEU H H 13.565 -1.143 0.556 1.00 . A A . 22 LEU H 1 1 1 305 1 1 22 LEU HA H 12.912 -3.672 -0.739 1.00 . A A . 22 LEU HA 1 1 1 306 1 1 22 LEU HB2 H 13.410 -3.582 2.269 1.00 . A A . 22 LEU HB2 1 1 1 307 1 1 22 LEU HB3 H 12.655 -4.919 1.410 1.00 . A A . 22 LEU HB3 1 1 1 308 1 1 22 LEU HD11 H 14.357 -6.376 2.545 1.00 . A A . 22 LEU HD11 1 1 1 309 1 1 22 LEU HD12 H 15.126 -4.935 3.242 1.00 . A A . 22 LEU HD12 1 1 1 310 1 1 22 LEU HD13 H 16.086 -6.062 2.266 1.00 . A A . 22 LEU HD13 1 1 1 311 1 1 22 LEU HD21 H 14.480 -5.250 -0.972 1.00 . A A . 22 LEU HD21 1 1 1 312 1 1 22 LEU HD22 H 14.001 -6.564 0.118 1.00 . A A . 22 LEU HD22 1 1 1 313 1 1 22 LEU HD23 H 15.725 -6.227 -0.189 1.00 . A A . 22 LEU HD23 1 1 1 314 1 1 22 LEU HG H 15.537 -4.055 0.969 1.00 . A A . 22 LEU HG 1 1 1 315 1 1 22 LEU N N 13.868 -2.002 0.121 1.00 . A A . 22 LEU N 1 1 1 316 1 1 22 LEU O O 10.620 -3.528 0.777 1.00 . A A . 22 LEU O 1 1 1 317 1 1 23 ALA C C 9.695 0.610 0.634 1.00 . A A . 23 ALA C 1 1 1 318 1 1 23 ALA CA C 10.114 -0.752 1.245 1.00 . A A . 23 ALA CA 1 1 1 319 1 1 23 ALA CB C 10.452 -0.629 2.734 1.00 . A A . 23 ALA CB 1 1 1 320 1 1 23 ALA H H 11.917 -0.773 0.148 1.00 . A A . 23 ALA H 1 1 1 321 1 1 23 ALA HA H 9.261 -1.413 1.147 1.00 . A A . 23 ALA HA 1 1 1 322 1 1 23 ALA HB1 H 10.601 -1.619 3.168 1.00 . A A . 23 ALA HB1 1 1 1 323 1 1 23 ALA HB2 H 11.355 -0.032 2.853 1.00 . A A . 23 ALA HB2 1 1 1 324 1 1 23 ALA HB3 H 9.632 -0.135 3.246 1.00 . A A . 23 ALA HB3 1 1 1 325 1 1 23 ALA N N 11.258 -1.387 0.602 1.00 . A A . 23 ALA N 1 1 1 326 1 1 23 ALA O O 8.606 1.086 0.956 1.00 . A A . 23 ALA O 1 1 1 327 1 1 24 ASP C C 9.818 0.271 -2.373 1.00 . A A . 24 ASP C 1 1 1 328 1 1 24 ASP CA C 10.104 1.573 -1.598 1.00 . A A . 24 ASP CA 1 1 1 329 1 1 24 ASP CB C 11.189 2.379 -2.372 1.00 . A A . 24 ASP CB 1 1 1 330 1 1 24 ASP CG C 11.796 3.613 -1.683 1.00 . A A . 24 ASP CG 1 1 1 331 1 1 24 ASP H H 11.454 0.827 -0.261 1.00 . A A . 24 ASP H 1 1 1 332 1 1 24 ASP HA H 9.179 2.148 -1.563 1.00 . A A . 24 ASP HA 1 1 1 333 1 1 24 ASP HB2 H 12.013 1.707 -2.619 1.00 . A A . 24 ASP HB2 1 1 1 334 1 1 24 ASP HB3 H 10.752 2.708 -3.316 1.00 . A A . 24 ASP HB3 1 1 1 335 1 1 24 ASP N N 10.525 1.223 -0.226 1.00 . A A . 24 ASP N 1 1 1 336 1 1 24 ASP O O 10.665 -0.649 -2.266 1.00 . A A . 24 ASP O 1 1 1 337 1 1 24 ASP OXT O 8.746 0.185 -3.009 1.00 . A A . 24 ASP OXT 1 1 1 338 1 1 24 ASP OD1 O 11.154 4.687 -1.639 1.00 . A A . 24 ASP OD1 1 1 1 339 1 1 24 ASP OD2 O 12.940 3.503 -1.179 1.00 . A A . 24 ASP OD2 1 1 2 340 1 1 1 GLY C C 2.689 0.605 -2.524 1.00 . A A . 1 GLY C 1 1 2 341 1 1 1 GLY CA C 2.159 1.740 -1.643 1.00 . A A . 1 GLY CA 1 1 2 342 1 1 1 GLY H1 H 2.032 0.686 0.199 1.00 . A A . 1 GLY H1 1 1 2 343 1 1 1 GLY HA2 H 1.484 2.372 -2.221 1.00 . A A . 1 GLY HA2 1 1 2 344 1 1 1 GLY HA3 H 3.033 2.325 -1.377 1.00 . A A . 1 GLY HA3 1 1 2 345 1 1 1 GLY N N 1.493 1.284 -0.405 1.00 . A A . 1 GLY N 1 1 2 346 1 1 1 GLY O O 2.601 -0.546 -2.122 1.00 . A A . 1 GLY O 1 1 2 347 1 1 2 PRO C C 4.820 -1.004 -4.475 1.00 . A A . 2 PRO C 1 1 2 348 1 1 2 PRO CA C 3.511 -0.205 -4.719 1.00 . A A . 2 PRO CA 1 1 2 349 1 1 2 PRO CB C 3.477 0.540 -6.057 1.00 . A A . 2 PRO CB 1 1 2 350 1 1 2 PRO CD C 3.444 2.168 -4.312 1.00 . A A . 2 PRO CD 1 1 2 351 1 1 2 PRO CG C 4.052 1.911 -5.693 1.00 . A A . 2 PRO CG 1 1 2 352 1 1 2 PRO HA H 2.696 -0.929 -4.718 1.00 . A A . 2 PRO HA 1 1 2 353 1 1 2 PRO HB2 H 4.045 0.034 -6.840 1.00 . A A . 2 PRO HB2 1 1 2 354 1 1 2 PRO HB3 H 2.436 0.656 -6.367 1.00 . A A . 2 PRO HB3 1 1 2 355 1 1 2 PRO HD2 H 4.126 2.766 -3.705 1.00 . A A . 2 PRO HD2 1 1 2 356 1 1 2 PRO HD3 H 2.488 2.681 -4.424 1.00 . A A . 2 PRO HD3 1 1 2 357 1 1 2 PRO HG2 H 5.139 1.853 -5.615 1.00 . A A . 2 PRO HG2 1 1 2 358 1 1 2 PRO HG3 H 3.759 2.675 -6.415 1.00 . A A . 2 PRO HG3 1 1 2 359 1 1 2 PRO N N 3.230 0.850 -3.730 1.00 . A A . 2 PRO N 1 1 2 360 1 1 2 PRO O O 5.723 -1.011 -5.308 1.00 . A A . 2 PRO O 1 1 2 361 1 1 3 THR C C 5.525 -3.934 -2.389 1.00 . A A . 3 THR C 1 1 2 362 1 1 3 THR CA C 6.023 -2.534 -2.861 1.00 . A A . 3 THR CA 1 1 2 363 1 1 3 THR CB C 6.706 -1.670 -1.774 1.00 . A A . 3 THR CB 1 1 2 364 1 1 3 THR CG2 C 7.623 -2.328 -0.749 1.00 . A A . 3 THR CG2 1 1 2 365 1 1 3 THR H H 4.105 -1.643 -2.714 1.00 . A A . 3 THR H 1 1 2 366 1 1 3 THR HA H 6.734 -2.685 -3.673 1.00 . A A . 3 THR HA 1 1 2 367 1 1 3 THR HB H 5.937 -1.133 -1.224 1.00 . A A . 3 THR HB 1 1 2 368 1 1 3 THR HG1 H 7.397 0.111 -1.882 1.00 . A A . 3 THR HG1 1 1 2 369 1 1 3 THR HG21 H 8.000 -1.562 -0.079 1.00 . A A . 3 THR HG21 1 1 2 370 1 1 3 THR HG22 H 8.478 -2.797 -1.228 1.00 . A A . 3 THR HG22 1 1 2 371 1 1 3 THR HG23 H 7.058 -3.046 -0.163 1.00 . A A . 3 THR HG23 1 1 2 372 1 1 3 THR N N 4.887 -1.727 -3.356 1.00 . A A . 3 THR N 1 1 2 373 1 1 3 THR O O 4.323 -4.194 -2.455 1.00 . A A . 3 THR O 1 1 2 374 1 1 3 THR OG1 O 7.497 -0.695 -2.406 1.00 . A A . 3 THR OG1 1 1 2 375 1 1 4 PRO C C 5.781 -6.285 0.124 1.00 . A A . 4 PRO C 1 1 2 376 1 1 4 PRO CA C 5.993 -6.198 -1.419 1.00 . A A . 4 PRO CA 1 1 2 377 1 1 4 PRO CB C 7.054 -7.217 -1.883 1.00 . A A . 4 PRO CB 1 1 2 378 1 1 4 PRO CD C 7.651 -5.091 -2.757 1.00 . A A . 4 PRO CD 1 1 2 379 1 1 4 PRO CG C 8.277 -6.376 -2.228 1.00 . A A . 4 PRO CG 1 1 2 380 1 1 4 PRO HA H 5.044 -6.507 -1.861 1.00 . A A . 4 PRO HA 1 1 2 381 1 1 4 PRO HB2 H 7.304 -7.956 -1.120 1.00 . A A . 4 PRO HB2 1 1 2 382 1 1 4 PRO HB3 H 6.704 -7.726 -2.782 1.00 . A A . 4 PRO HB3 1 1 2 383 1 1 4 PRO HD2 H 8.342 -4.260 -2.648 1.00 . A A . 4 PRO HD2 1 1 2 384 1 1 4 PRO HD3 H 7.420 -5.223 -3.817 1.00 . A A . 4 PRO HD3 1 1 2 385 1 1 4 PRO HG2 H 8.854 -6.177 -1.328 1.00 . A A . 4 PRO HG2 1 1 2 386 1 1 4 PRO HG3 H 8.904 -6.858 -2.979 1.00 . A A . 4 PRO HG3 1 1 2 387 1 1 4 PRO N N 6.397 -4.907 -2.029 1.00 . A A . 4 PRO N 1 1 2 388 1 1 4 PRO O O 5.539 -7.389 0.603 1.00 . A A . 4 PRO O 1 1 2 389 1 1 5 MET C C 4.348 -4.760 2.897 1.00 . A A . 5 MET C 1 1 2 390 1 1 5 MET CA C 5.734 -5.241 2.408 1.00 . A A . 5 MET CA 1 1 2 391 1 1 5 MET CB C 6.850 -4.387 3.052 1.00 . A A . 5 MET CB 1 1 2 392 1 1 5 MET CE C 9.286 -4.767 1.014 1.00 . A A . 5 MET CE 1 1 2 393 1 1 5 MET CG C 8.076 -5.178 3.525 1.00 . A A . 5 MET CG 1 1 2 394 1 1 5 MET H H 5.882 -4.305 0.470 1.00 . A A . 5 MET H 1 1 2 395 1 1 5 MET HA H 5.847 -6.271 2.758 1.00 . A A . 5 MET HA 1 1 2 396 1 1 5 MET HB2 H 7.169 -3.615 2.353 1.00 . A A . 5 MET HB2 1 1 2 397 1 1 5 MET HB3 H 6.454 -3.875 3.932 1.00 . A A . 5 MET HB3 1 1 2 398 1 1 5 MET HE1 H 8.444 -4.781 0.329 1.00 . A A . 5 MET HE1 1 1 2 399 1 1 5 MET HE2 H 9.340 -3.789 1.486 1.00 . A A . 5 MET HE2 1 1 2 400 1 1 5 MET HE3 H 10.203 -4.966 0.458 1.00 . A A . 5 MET HE3 1 1 2 401 1 1 5 MET HG2 H 8.742 -4.480 4.037 1.00 . A A . 5 MET HG2 1 1 2 402 1 1 5 MET HG3 H 7.751 -5.910 4.268 1.00 . A A . 5 MET HG3 1 1 2 403 1 1 5 MET N N 5.855 -5.206 0.920 1.00 . A A . 5 MET N 1 1 2 404 1 1 5 MET O O 3.580 -4.202 2.124 1.00 . A A . 5 MET O 1 1 2 405 1 1 5 MET SD S 9.048 -6.050 2.262 1.00 . A A . 5 MET SD 1 1 2 406 1 1 6 VAL C C 2.551 -3.425 5.670 1.00 . A A . 6 VAL C 1 1 2 407 1 1 6 VAL CA C 2.633 -4.592 4.675 1.00 . A A . 6 VAL CA 1 1 2 408 1 1 6 VAL CB C 1.964 -5.886 5.173 1.00 . A A . 6 VAL CB 1 1 2 409 1 1 6 VAL CG1 C 2.602 -6.446 6.447 1.00 . A A . 6 VAL CG1 1 1 2 410 1 1 6 VAL CG2 C 0.460 -5.702 5.401 1.00 . A A . 6 VAL CG2 1 1 2 411 1 1 6 VAL H H 4.670 -5.295 4.833 1.00 . A A . 6 VAL H 1 1 2 412 1 1 6 VAL HA H 2.037 -4.273 3.823 1.00 . A A . 6 VAL HA 1 1 2 413 1 1 6 VAL HB H 2.081 -6.633 4.387 1.00 . A A . 6 VAL HB 1 1 2 414 1 1 6 VAL HG11 H 3.660 -6.646 6.281 1.00 . A A . 6 VAL HG11 1 1 2 415 1 1 6 VAL HG12 H 2.497 -5.741 7.270 1.00 . A A . 6 VAL HG12 1 1 2 416 1 1 6 VAL HG13 H 2.117 -7.383 6.718 1.00 . A A . 6 VAL HG13 1 1 2 417 1 1 6 VAL HG21 H 0.282 -5.032 6.241 1.00 . A A . 6 VAL HG21 1 1 2 418 1 1 6 VAL HG22 H -0.007 -5.302 4.502 1.00 . A A . 6 VAL HG22 1 1 2 419 1 1 6 VAL HG23 H 0.012 -6.670 5.625 1.00 . A A . 6 VAL HG23 1 1 2 420 1 1 6 VAL N N 4.003 -4.891 4.187 1.00 . A A . 6 VAL N 1 1 2 421 1 1 6 VAL O O 3.398 -3.262 6.541 1.00 . A A . 6 VAL O 1 1 2 422 1 1 7 GLY C C 1.846 -0.120 5.434 1.00 . A A . 7 GLY C 1 1 2 423 1 1 7 GLY CA C 1.345 -1.320 6.244 1.00 . A A . 7 GLY CA 1 1 2 424 1 1 7 GLY H H 0.880 -2.793 4.771 1.00 . A A . 7 GLY H 1 1 2 425 1 1 7 GLY HA2 H 0.289 -1.163 6.459 1.00 . A A . 7 GLY HA2 1 1 2 426 1 1 7 GLY HA3 H 1.891 -1.346 7.186 1.00 . A A . 7 GLY HA3 1 1 2 427 1 1 7 GLY N N 1.508 -2.597 5.534 1.00 . A A . 7 GLY N 1 1 2 428 1 1 7 GLY O O 2.144 -0.254 4.247 1.00 . A A . 7 GLY O 1 1 2 429 1 1 8 LEU C C 1.475 2.964 4.444 1.00 . A A . 8 LEU C 1 1 2 430 1 1 8 LEU CA C 2.339 2.379 5.581 1.00 . A A . 8 LEU CA 1 1 2 431 1 1 8 LEU CB C 3.847 2.382 5.221 1.00 . A A . 8 LEU CB 1 1 2 432 1 1 8 LEU CD1 C 4.217 4.921 5.421 1.00 . A A . 8 LEU CD1 1 1 2 433 1 1 8 LEU CD2 C 4.788 3.426 7.336 1.00 . A A . 8 LEU CD2 1 1 2 434 1 1 8 LEU CG C 4.697 3.523 5.810 1.00 . A A . 8 LEU CG 1 1 2 435 1 1 8 LEU H H 1.628 1.025 7.048 1.00 . A A . 8 LEU H 1 1 2 436 1 1 8 LEU HA H 2.191 3.070 6.411 1.00 . A A . 8 LEU HA 1 1 2 437 1 1 8 LEU HB2 H 4.301 1.454 5.557 1.00 . A A . 8 LEU HB2 1 1 2 438 1 1 8 LEU HB3 H 3.956 2.398 4.137 1.00 . A A . 8 LEU HB3 1 1 2 439 1 1 8 LEU HD11 H 4.927 5.669 5.771 1.00 . A A . 8 LEU HD11 1 1 2 440 1 1 8 LEU HD12 H 3.240 5.127 5.860 1.00 . A A . 8 LEU HD12 1 1 2 441 1 1 8 LEU HD13 H 4.136 4.995 4.334 1.00 . A A . 8 LEU HD13 1 1 2 442 1 1 8 LEU HD21 H 5.435 4.210 7.724 1.00 . A A . 8 LEU HD21 1 1 2 443 1 1 8 LEU HD22 H 5.191 2.453 7.617 1.00 . A A . 8 LEU HD22 1 1 2 444 1 1 8 LEU HD23 H 3.802 3.542 7.785 1.00 . A A . 8 LEU HD23 1 1 2 445 1 1 8 LEU HG H 5.707 3.411 5.417 1.00 . A A . 8 LEU HG 1 1 2 446 1 1 8 LEU N N 1.929 1.049 6.086 1.00 . A A . 8 LEU N 1 1 2 447 1 1 8 LEU O O 1.144 4.144 4.484 1.00 . A A . 8 LEU O 1 1 2 448 1 1 9 ASP C C -1.215 2.901 3.066 1.00 . A A . 9 ASP C 1 1 2 449 1 1 9 ASP CA C 0.114 2.468 2.425 1.00 . A A . 9 ASP CA 1 1 2 450 1 1 9 ASP CB C -0.031 1.264 1.474 1.00 . A A . 9 ASP CB 1 1 2 451 1 1 9 ASP CG C 0.272 1.643 0.016 1.00 . A A . 9 ASP CG 1 1 2 452 1 1 9 ASP H H 1.382 1.190 3.551 1.00 . A A . 9 ASP H 1 1 2 453 1 1 9 ASP HA H 0.489 3.319 1.875 1.00 . A A . 9 ASP HA 1 1 2 454 1 1 9 ASP HB2 H 0.635 0.455 1.787 1.00 . A A . 9 ASP HB2 1 1 2 455 1 1 9 ASP HB3 H -1.048 0.869 1.546 1.00 . A A . 9 ASP HB3 1 1 2 456 1 1 9 ASP N N 1.099 2.155 3.456 1.00 . A A . 9 ASP N 1 1 2 457 1 1 9 ASP O O -1.745 2.195 3.921 1.00 . A A . 9 ASP O 1 1 2 458 1 1 9 ASP OD1 O -0.713 1.446 -0.734 1.00 . A A . 9 ASP OD1 1 1 2 459 1 1 10 SER C C -3.973 4.168 3.956 1.00 . A A . 10 SER C 1 1 2 460 1 1 10 SER CA C -2.675 4.871 3.521 1.00 . A A . 10 SER CA 1 1 2 461 1 1 10 SER CB C -3.033 6.167 2.791 1.00 . A A . 10 SER CB 1 1 2 462 1 1 10 SER H H -1.221 4.564 1.963 1.00 . A A . 10 SER H 1 1 2 463 1 1 10 SER HA H -2.169 5.143 4.448 1.00 . A A . 10 SER HA 1 1 2 464 1 1 10 SER HB2 H -3.347 5.932 1.772 1.00 . A A . 10 SER HB2 1 1 2 465 1 1 10 SER HB3 H -3.855 6.667 3.308 1.00 . A A . 10 SER HB3 1 1 2 466 1 1 10 SER HG H -1.105 6.532 2.698 1.00 . A A . 10 SER HG 1 1 2 467 1 1 10 SER N N -1.724 4.084 2.700 1.00 . A A . 10 SER N 1 1 2 468 1 1 10 SER O O -4.570 4.570 4.951 1.00 . A A . 10 SER O 1 1 2 469 1 1 10 SER OG O -1.922 7.042 2.760 1.00 . A A . 10 SER OG 1 1 2 470 1 1 11 VAL C C -4.827 0.721 3.189 1.00 . A A . 11 VAL C 1 1 2 471 1 1 11 VAL CA C -5.288 2.059 3.765 1.00 . A A . 11 VAL CA 1 1 2 472 1 1 11 VAL CB C -6.784 2.300 3.437 1.00 . A A . 11 VAL CB 1 1 2 473 1 1 11 VAL CG1 C -7.643 1.165 4.016 1.00 . A A . 11 VAL CG1 1 1 2 474 1 1 11 VAL CG2 C -7.350 3.613 3.989 1.00 . A A . 11 VAL CG2 1 1 2 475 1 1 11 VAL H H -3.751 2.844 2.524 1.00 . A A . 11 VAL H 1 1 2 476 1 1 11 VAL HA H -5.175 1.999 4.847 1.00 . A A . 11 VAL HA 1 1 2 477 1 1 11 VAL HB H -6.917 2.316 2.354 1.00 . A A . 11 VAL HB 1 1 2 478 1 1 11 VAL HG11 H -7.456 1.067 5.087 1.00 . A A . 11 VAL HG11 1 1 2 479 1 1 11 VAL HG12 H -8.700 1.374 3.854 1.00 . A A . 11 VAL HG12 1 1 2 480 1 1 11 VAL HG13 H -7.408 0.218 3.529 1.00 . A A . 11 VAL HG13 1 1 2 481 1 1 11 VAL HG21 H -6.842 4.458 3.527 1.00 . A A . 11 VAL HG21 1 1 2 482 1 1 11 VAL HG22 H -8.413 3.688 3.759 1.00 . A A . 11 VAL HG22 1 1 2 483 1 1 11 VAL HG23 H -7.209 3.658 5.070 1.00 . A A . 11 VAL HG23 1 1 2 484 1 1 11 VAL N N -4.396 3.115 3.250 1.00 . A A . 11 VAL N 1 1 2 485 1 1 11 VAL O O -4.435 -0.191 3.912 1.00 . A A . 11 VAL O 1 1 2 486 1 1 12 SER C C -4.588 -0.079 -0.446 1.00 . A A . 12 SER C 1 1 2 487 1 1 12 SER CA C -4.499 -0.525 1.022 1.00 . A A . 12 SER CA 1 1 2 488 1 1 12 SER CB C -5.408 -1.754 1.225 1.00 . A A . 12 SER CB 1 1 2 489 1 1 12 SER H H -5.275 1.413 1.374 1.00 . A A . 12 SER H 1 1 2 490 1 1 12 SER HA H -3.470 -0.813 1.250 1.00 . A A . 12 SER HA 1 1 2 491 1 1 12 SER HB2 H -6.444 -1.471 1.031 1.00 . A A . 12 SER HB2 1 1 2 492 1 1 12 SER HB3 H -5.125 -2.533 0.513 1.00 . A A . 12 SER HB3 1 1 2 493 1 1 12 SER HG H -4.925 -1.605 3.113 1.00 . A A . 12 SER HG 1 1 2 494 1 1 12 SER N N -4.912 0.607 1.861 1.00 . A A . 12 SER N 1 1 2 495 1 1 12 SER O O -5.587 -0.344 -1.110 1.00 . A A . 12 SER O 1 1 2 496 1 1 12 SER OG O -5.314 -2.287 2.532 1.00 . A A . 12 SER OG 1 1 2 497 1 1 13 GLY C C -2.659 -0.336 -2.978 1.00 . A A . 13 GLY C 1 1 2 498 1 1 13 GLY CA C -3.425 0.853 -2.396 1.00 . A A . 13 GLY CA 1 1 2 499 1 1 13 GLY H H -2.779 0.865 -0.386 1.00 . A A . 13 GLY H 1 1 2 500 1 1 13 GLY HA2 H -4.396 0.922 -2.886 1.00 . A A . 13 GLY HA2 1 1 2 501 1 1 13 GLY HA3 H -2.865 1.769 -2.590 1.00 . A A . 13 GLY HA3 1 1 2 502 1 1 13 GLY N N -3.595 0.660 -0.949 1.00 . A A . 13 GLY N 1 1 2 503 1 1 13 GLY O O -3.073 -0.937 -3.963 1.00 . A A . 13 GLY O 1 1 2 504 1 1 14 GLN C C -0.398 -2.323 -0.891 1.00 . A A . 14 GLN C 1 1 2 505 1 1 14 GLN CA C -0.898 -1.994 -2.318 1.00 . A A . 14 GLN CA 1 1 2 506 1 1 14 GLN CB C 0.220 -1.946 -3.390 1.00 . A A . 14 GLN CB 1 1 2 507 1 1 14 GLN CD C -0.172 -4.070 -4.749 1.00 . A A . 14 GLN CD 1 1 2 508 1 1 14 GLN CG C -0.155 -2.544 -4.751 1.00 . A A . 14 GLN CG 1 1 2 509 1 1 14 GLN H H -1.283 -0.034 -1.587 1.00 . A A . 14 GLN H 1 1 2 510 1 1 14 GLN HA H -1.610 -2.779 -2.579 1.00 . A A . 14 GLN HA 1 1 2 511 1 1 14 GLN HB2 H 0.499 -0.904 -3.554 1.00 . A A . 14 GLN HB2 1 1 2 512 1 1 14 GLN HB3 H 1.110 -2.468 -3.047 1.00 . A A . 14 GLN HB3 1 1 2 513 1 1 14 GLN HE21 H 1.754 -4.289 -4.067 1.00 . A A . 14 GLN HE21 1 1 2 514 1 1 14 GLN HE22 H 0.773 -5.720 -4.433 1.00 . A A . 14 GLN HE22 1 1 2 515 1 1 14 GLN HG2 H -1.126 -2.170 -5.070 1.00 . A A . 14 GLN HG2 1 1 2 516 1 1 14 GLN HG3 H 0.584 -2.218 -5.483 1.00 . A A . 14 GLN HG3 1 1 2 517 1 1 14 GLN N N -1.577 -0.703 -2.293 1.00 . A A . 14 GLN N 1 1 2 518 1 1 14 GLN NE2 N 0.914 -4.728 -4.408 1.00 . A A . 14 GLN NE2 1 1 2 519 1 1 14 GLN O O -1.142 -2.854 -0.072 1.00 . A A . 14 GLN O 1 1 2 520 1 1 14 GLN OE1 O -1.143 -4.716 -5.093 1.00 . A A . 14 GLN OE1 1 1 2 521 1 1 15 TYR C C 3.112 -1.963 0.409 1.00 . A A . 15 TYR C 1 1 2 522 1 1 15 TYR CA C 1.784 -2.751 0.228 1.00 . A A . 15 TYR CA 1 1 2 523 1 1 15 TYR CB C 2.005 -4.132 -0.461 1.00 . A A . 15 TYR CB 1 1 2 524 1 1 15 TYR CD1 C 0.480 -5.475 1.104 1.00 . A A . 15 TYR CD1 1 1 2 525 1 1 15 TYR CD2 C 0.725 -6.196 -1.202 1.00 . A A . 15 TYR CD2 1 1 2 526 1 1 15 TYR CE1 C -0.386 -6.558 1.355 1.00 . A A . 15 TYR CE1 1 1 2 527 1 1 15 TYR CE2 C -0.136 -7.285 -0.960 1.00 . A A . 15 TYR CE2 1 1 2 528 1 1 15 TYR CG C 1.022 -5.268 -0.181 1.00 . A A . 15 TYR CG 1 1 2 529 1 1 15 TYR CZ C -0.701 -7.461 0.319 1.00 . A A . 15 TYR CZ 1 1 2 530 1 1 15 TYR H H 1.316 -1.419 -1.297 1.00 . A A . 15 TYR H 1 1 2 531 1 1 15 TYR HA H 1.368 -2.905 1.219 1.00 . A A . 15 TYR HA 1 1 2 532 1 1 15 TYR HB2 H 2.021 -3.968 -1.537 1.00 . A A . 15 TYR HB2 1 1 2 533 1 1 15 TYR HB3 H 2.989 -4.518 -0.209 1.00 . A A . 15 TYR HB3 1 1 2 534 1 1 15 TYR HD1 H 0.732 -4.805 1.906 1.00 . A A . 15 TYR HD1 1 1 2 535 1 1 15 TYR HD2 H 1.178 -6.082 -2.172 1.00 . A A . 15 TYR HD2 1 1 2 536 1 1 15 TYR HE1 H -0.799 -6.702 2.340 1.00 . A A . 15 TYR HE1 1 1 2 537 1 1 15 TYR HE2 H -0.363 -8.001 -1.736 1.00 . A A . 15 TYR HE2 1 1 2 538 1 1 15 TYR HH H -1.850 -8.482 1.459 1.00 . A A . 15 TYR HH 1 1 2 539 1 1 15 TYR N N 0.853 -1.979 -0.592 1.00 . A A . 15 TYR N 1 1 2 540 1 1 15 TYR O O 4.093 -2.213 -0.285 1.00 . A A . 15 TYR O 1 1 2 541 1 1 15 TYR OH O -1.530 -8.511 0.558 1.00 . A A . 15 TYR OH 1 1 2 542 1 1 16 TRP C C 4.833 0.935 1.118 1.00 . A A . 16 TRP C 1 1 2 543 1 1 16 TRP CA C 4.344 -0.307 1.896 1.00 . A A . 16 TRP CA 1 1 2 544 1 1 16 TRP CB C 5.467 -1.318 2.188 1.00 . A A . 16 TRP CB 1 1 2 545 1 1 16 TRP CD1 C 7.846 -0.851 2.935 1.00 . A A . 16 TRP CD1 1 1 2 546 1 1 16 TRP CD2 C 6.391 -0.815 4.637 1.00 . A A . 16 TRP CD2 1 1 2 547 1 1 16 TRP CE2 C 7.673 -0.523 5.185 1.00 . A A . 16 TRP CE2 1 1 2 548 1 1 16 TRP CE3 C 5.322 -0.917 5.546 1.00 . A A . 16 TRP CE3 1 1 2 549 1 1 16 TRP CG C 6.523 -0.967 3.191 1.00 . A A . 16 TRP CG 1 1 2 550 1 1 16 TRP CH2 C 6.769 -0.312 7.420 1.00 . A A . 16 TRP CH2 1 1 2 551 1 1 16 TRP CZ2 C 7.867 -0.248 6.547 1.00 . A A . 16 TRP CZ2 1 1 2 552 1 1 16 TRP CZ3 C 5.503 -0.666 6.921 1.00 . A A . 16 TRP CZ3 1 1 2 553 1 1 16 TRP H H 2.305 -0.917 1.897 1.00 . A A . 16 TRP H 1 1 2 554 1 1 16 TRP HA H 4.063 0.071 2.874 1.00 . A A . 16 TRP HA 1 1 2 555 1 1 16 TRP HB2 H 4.999 -2.216 2.571 1.00 . A A . 16 TRP HB2 1 1 2 556 1 1 16 TRP HB3 H 5.956 -1.580 1.256 1.00 . A A . 16 TRP HB3 1 1 2 557 1 1 16 TRP HD1 H 8.301 -0.952 1.958 1.00 . A A . 16 TRP HD1 1 1 2 558 1 1 16 TRP HE1 H 9.540 -0.635 4.181 1.00 . A A . 16 TRP HE1 1 1 2 559 1 1 16 TRP HE3 H 4.360 -1.227 5.169 1.00 . A A . 16 TRP HE3 1 1 2 560 1 1 16 TRP HH2 H 6.907 -0.160 8.482 1.00 . A A . 16 TRP HH2 1 1 2 561 1 1 16 TRP HZ2 H 8.856 -0.052 6.929 1.00 . A A . 16 TRP HZ2 1 1 2 562 1 1 16 TRP HZ3 H 4.668 -0.791 7.598 1.00 . A A . 16 TRP HZ3 1 1 2 563 1 1 16 TRP N N 3.147 -0.999 1.350 1.00 . A A . 16 TRP N 1 1 2 564 1 1 16 TRP NE1 N 8.531 -0.638 4.115 1.00 . A A . 16 TRP NE1 1 1 2 565 1 1 16 TRP O O 5.867 0.919 0.454 1.00 . A A . 16 TRP O 1 1 2 566 1 1 17 ASP C C 5.835 4.002 1.504 1.00 . A A . 17 ASP C 1 1 2 567 1 1 17 ASP CA C 4.536 3.438 0.862 1.00 . A A . 17 ASP CA 1 1 2 568 1 1 17 ASP CB C 3.346 4.400 1.113 1.00 . A A . 17 ASP CB 1 1 2 569 1 1 17 ASP CG C 2.421 4.565 -0.098 1.00 . A A . 17 ASP CG 1 1 2 570 1 1 17 ASP H H 3.283 2.007 1.816 1.00 . A A . 17 ASP H 1 1 2 571 1 1 17 ASP HA H 4.739 3.418 -0.210 1.00 . A A . 17 ASP HA 1 1 2 572 1 1 17 ASP HB2 H 2.776 4.055 1.977 1.00 . A A . 17 ASP HB2 1 1 2 573 1 1 17 ASP HB3 H 3.709 5.395 1.363 1.00 . A A . 17 ASP HB3 1 1 2 574 1 1 17 ASP N N 4.147 2.072 1.301 1.00 . A A . 17 ASP N 1 1 2 575 1 1 17 ASP O O 6.115 5.202 1.451 1.00 . A A . 17 ASP O 1 1 2 576 1 1 17 ASP OD1 O 2.940 4.705 -1.226 1.00 . A A . 17 ASP OD1 1 1 2 577 1 1 17 ASP OD2 O 1.187 4.508 0.107 1.00 . A A . 17 ASP OD2 1 1 2 578 1 1 18 GLN C C 8.962 4.027 1.840 1.00 . A A . 18 GLN C 1 1 2 579 1 1 18 GLN CA C 7.858 3.648 2.840 1.00 . A A . 18 GLN CA 1 1 2 580 1 1 18 GLN CB C 8.355 2.562 3.802 1.00 . A A . 18 GLN CB 1 1 2 581 1 1 18 GLN CD C 9.058 4.271 5.545 1.00 . A A . 18 GLN CD 1 1 2 582 1 1 18 GLN CG C 9.449 3.015 4.780 1.00 . A A . 18 GLN CG 1 1 2 583 1 1 18 GLN H H 6.506 2.186 2.013 1.00 . A A . 18 GLN H 1 1 2 584 1 1 18 GLN HA H 7.579 4.536 3.411 1.00 . A A . 18 GLN HA 1 1 2 585 1 1 18 GLN HB2 H 7.509 2.191 4.381 1.00 . A A . 18 GLN HB2 1 1 2 586 1 1 18 GLN HB3 H 8.754 1.749 3.199 1.00 . A A . 18 GLN HB3 1 1 2 587 1 1 18 GLN HE21 H 7.759 3.294 6.744 1.00 . A A . 18 GLN HE21 1 1 2 588 1 1 18 GLN HE22 H 7.898 5.038 6.955 1.00 . A A . 18 GLN HE22 1 1 2 589 1 1 18 GLN HG2 H 9.643 2.210 5.489 1.00 . A A . 18 GLN HG2 1 1 2 590 1 1 18 GLN HG3 H 10.372 3.206 4.235 1.00 . A A . 18 GLN HG3 1 1 2 591 1 1 18 GLN N N 6.649 3.176 2.168 1.00 . A A . 18 GLN N 1 1 2 592 1 1 18 GLN NE2 N 8.189 4.180 6.524 1.00 . A A . 18 GLN NE2 1 1 2 593 1 1 18 GLN O O 9.200 3.347 0.848 1.00 . A A . 18 GLN O 1 1 2 594 1 1 18 GLN OE1 O 9.515 5.368 5.242 1.00 . A A . 18 GLN OE1 1 1 2 595 1 1 19 HIS C C 12.138 4.549 1.396 1.00 . A A . 19 HIS C 1 1 2 596 1 1 19 HIS CA C 10.918 5.510 1.398 1.00 . A A . 19 HIS CA 1 1 2 597 1 1 19 HIS CB C 11.282 6.944 1.835 1.00 . A A . 19 HIS CB 1 1 2 598 1 1 19 HIS CD2 C 13.433 7.256 3.174 1.00 . A A . 19 HIS CD2 1 1 2 599 1 1 19 HIS CE1 C 12.679 6.998 5.240 1.00 . A A . 19 HIS CE1 1 1 2 600 1 1 19 HIS CG C 12.084 7.049 3.116 1.00 . A A . 19 HIS CG 1 1 2 601 1 1 19 HIS H H 9.460 5.559 3.001 1.00 . A A . 19 HIS H 1 1 2 602 1 1 19 HIS HA H 10.598 5.565 0.355 1.00 . A A . 19 HIS HA 1 1 2 603 1 1 19 HIS HB2 H 11.872 7.389 1.032 1.00 . A A . 19 HIS HB2 1 1 2 604 1 1 19 HIS HB3 H 10.375 7.545 1.922 1.00 . A A . 19 HIS HB3 1 1 2 605 1 1 19 HIS HD1 H 10.675 6.618 4.690 1.00 . A A . 19 HIS HD1 1 1 2 606 1 1 19 HIS HD2 H 14.084 7.357 2.311 1.00 . A A . 19 HIS HD2 1 1 2 607 1 1 19 HIS HE1 H 12.634 6.875 6.320 1.00 . A A . 19 HIS HE1 1 1 2 608 1 1 19 HIS HE2 H 14.744 7.301 4.856 1.00 . A A . 19 HIS HE2 1 1 2 609 1 1 19 HIS N N 9.748 5.056 2.175 1.00 . A A . 19 HIS N 1 1 2 610 1 1 19 HIS ND1 N 11.623 6.892 4.410 1.00 . A A . 19 HIS ND1 1 1 2 611 1 1 19 HIS NE2 N 13.793 7.222 4.509 1.00 . A A . 19 HIS NE2 1 1 2 612 1 1 19 HIS O O 13.270 5.012 1.244 1.00 . A A . 19 HIS O 1 1 2 613 1 1 20 ALA C C 12.671 1.008 0.872 1.00 . A A . 20 ALA C 1 1 2 614 1 1 20 ALA CA C 12.997 2.231 1.758 1.00 . A A . 20 ALA CA 1 1 2 615 1 1 20 ALA CB C 13.106 1.846 3.242 1.00 . A A . 20 ALA CB 1 1 2 616 1 1 20 ALA H H 11.000 2.901 1.532 1.00 . A A . 20 ALA H 1 1 2 617 1 1 20 ALA HA H 13.950 2.649 1.432 1.00 . A A . 20 ALA HA 1 1 2 618 1 1 20 ALA HB1 H 13.938 1.158 3.397 1.00 . A A . 20 ALA HB1 1 1 2 619 1 1 20 ALA HB2 H 13.270 2.737 3.847 1.00 . A A . 20 ALA HB2 1 1 2 620 1 1 20 ALA HB3 H 12.190 1.350 3.567 1.00 . A A . 20 ALA HB3 1 1 2 621 1 1 20 ALA N N 11.950 3.250 1.631 1.00 . A A . 20 ALA N 1 1 2 622 1 1 20 ALA O O 11.493 0.733 0.659 1.00 . A A . 20 ALA O 1 1 2 623 1 1 21 PRO C C 12.749 -2.057 0.068 1.00 . A A . 21 PRO C 1 1 2 624 1 1 21 PRO CA C 13.450 -0.847 -0.567 1.00 . A A . 21 PRO CA 1 1 2 625 1 1 21 PRO CB C 14.845 -1.232 -1.076 1.00 . A A . 21 PRO CB 1 1 2 626 1 1 21 PRO CD C 15.102 0.444 0.608 1.00 . A A . 21 PRO CD 1 1 2 627 1 1 21 PRO CG C 15.774 -0.817 0.065 1.00 . A A . 21 PRO CG 1 1 2 628 1 1 21 PRO HA H 12.842 -0.507 -1.406 1.00 . A A . 21 PRO HA 1 1 2 629 1 1 21 PRO HB2 H 14.924 -2.299 -1.294 1.00 . A A . 21 PRO HB2 1 1 2 630 1 1 21 PRO HB3 H 15.079 -0.647 -1.967 1.00 . A A . 21 PRO HB3 1 1 2 631 1 1 21 PRO HD2 H 15.324 0.552 1.670 1.00 . A A . 21 PRO HD2 1 1 2 632 1 1 21 PRO HD3 H 15.456 1.316 0.055 1.00 . A A . 21 PRO HD3 1 1 2 633 1 1 21 PRO HG2 H 15.783 -1.588 0.839 1.00 . A A . 21 PRO HG2 1 1 2 634 1 1 21 PRO HG3 H 16.788 -0.616 -0.285 1.00 . A A . 21 PRO HG3 1 1 2 635 1 1 21 PRO N N 13.677 0.261 0.370 1.00 . A A . 21 PRO N 1 1 2 636 1 1 21 PRO O O 12.030 -2.781 -0.612 1.00 . A A . 21 PRO O 1 1 2 637 1 1 22 LEU C C 12.319 -2.760 3.680 1.00 . A A . 22 LEU C 1 1 2 638 1 1 22 LEU CA C 12.296 -3.239 2.223 1.00 . A A . 22 LEU CA 1 1 2 639 1 1 22 LEU CB C 12.911 -4.638 2.024 1.00 . A A . 22 LEU CB 1 1 2 640 1 1 22 LEU CD1 C 14.622 -5.441 3.719 1.00 . A A . 22 LEU CD1 1 1 2 641 1 1 22 LEU CD2 C 15.167 -5.530 1.298 1.00 . A A . 22 LEU CD2 1 1 2 642 1 1 22 LEU CG C 14.411 -4.748 2.374 1.00 . A A . 22 LEU CG 1 1 2 643 1 1 22 LEU H H 13.553 -1.609 1.858 1.00 . A A . 22 LEU H 1 1 2 644 1 1 22 LEU HA H 11.256 -3.282 1.920 1.00 . A A . 22 LEU HA 1 1 2 645 1 1 22 LEU HB2 H 12.343 -5.368 2.606 1.00 . A A . 22 LEU HB2 1 1 2 646 1 1 22 LEU HB3 H 12.764 -4.911 0.979 1.00 . A A . 22 LEU HB3 1 1 2 647 1 1 22 LEU HD11 H 14.119 -4.896 4.518 1.00 . A A . 22 LEU HD11 1 1 2 648 1 1 22 LEU HD12 H 15.685 -5.511 3.950 1.00 . A A . 22 LEU HD12 1 1 2 649 1 1 22 LEU HD13 H 14.204 -6.452 3.684 1.00 . A A . 22 LEU HD13 1 1 2 650 1 1 22 LEU HD21 H 15.088 -5.015 0.342 1.00 . A A . 22 LEU HD21 1 1 2 651 1 1 22 LEU HD22 H 14.739 -6.528 1.203 1.00 . A A . 22 LEU HD22 1 1 2 652 1 1 22 LEU HD23 H 16.217 -5.620 1.570 1.00 . A A . 22 LEU HD23 1 1 2 653 1 1 22 LEU HG H 14.860 -3.756 2.431 1.00 . A A . 22 LEU HG 1 1 2 654 1 1 22 LEU N N 12.969 -2.267 1.367 1.00 . A A . 22 LEU N 1 1 2 655 1 1 22 LEU O O 12.891 -1.704 3.973 1.00 . A A . 22 LEU O 1 1 2 656 1 1 23 ALA C C 11.409 -4.476 6.895 1.00 . A A . 23 ALA C 1 1 2 657 1 1 23 ALA CA C 11.644 -3.227 6.017 1.00 . A A . 23 ALA CA 1 1 2 658 1 1 23 ALA CB C 10.572 -2.168 6.292 1.00 . A A . 23 ALA CB 1 1 2 659 1 1 23 ALA H H 11.241 -4.362 4.259 1.00 . A A . 23 ALA H 1 1 2 660 1 1 23 ALA HA H 12.612 -2.823 6.314 1.00 . A A . 23 ALA HA 1 1 2 661 1 1 23 ALA HB1 H 9.592 -2.568 6.031 1.00 . A A . 23 ALA HB1 1 1 2 662 1 1 23 ALA HB2 H 10.579 -1.912 7.352 1.00 . A A . 23 ALA HB2 1 1 2 663 1 1 23 ALA HB3 H 10.781 -1.270 5.714 1.00 . A A . 23 ALA HB3 1 1 2 664 1 1 23 ALA N N 11.663 -3.498 4.573 1.00 . A A . 23 ALA N 1 1 2 665 1 1 23 ALA O O 11.343 -4.336 8.116 1.00 . A A . 23 ALA O 1 1 2 666 1 1 24 ASP C C 11.930 -7.940 5.912 1.00 . A A . 24 ASP C 1 1 2 667 1 1 24 ASP CA C 11.077 -7.001 6.794 1.00 . A A . 24 ASP CA 1 1 2 668 1 1 24 ASP CB C 9.559 -7.323 6.740 1.00 . A A . 24 ASP CB 1 1 2 669 1 1 24 ASP CG C 9.052 -8.424 7.698 1.00 . A A . 24 ASP CG 1 1 2 670 1 1 24 ASP H H 11.525 -5.754 5.290 1.00 . A A . 24 ASP H 1 1 2 671 1 1 24 ASP HA H 11.424 -7.073 7.825 1.00 . A A . 24 ASP HA 1 1 2 672 1 1 24 ASP HB2 H 9.008 -6.414 6.993 1.00 . A A . 24 ASP HB2 1 1 2 673 1 1 24 ASP HB3 H 9.287 -7.577 5.713 1.00 . A A . 24 ASP HB3 1 1 2 674 1 1 24 ASP N N 11.290 -5.646 6.268 1.00 . A A . 24 ASP N 1 1 2 675 1 1 24 ASP O O 12.575 -8.863 6.456 1.00 . A A . 24 ASP O 1 1 2 676 1 1 24 ASP OXT O 12.050 -7.597 4.705 1.00 . A A . 24 ASP OXT 1 1 2 677 1 1 24 ASP OD1 O 9.307 -8.311 8.922 1.00 . A A . 24 ASP OD1 1 1 2 678 1 1 24 ASP OD2 O 8.281 -9.296 7.226 1.00 . A A . 24 ASP OD2 1 1 3 679 1 1 1 GLY C C 2.794 0.650 -2.397 1.00 . A A . 1 GLY C 1 1 3 680 1 1 1 GLY CA C 2.062 1.765 -1.624 1.00 . A A . 1 GLY CA 1 1 3 681 1 1 1 GLY H1 H 2.070 0.782 0.262 1.00 . A A . 1 GLY H1 1 1 3 682 1 1 1 GLY HA2 H 1.279 2.178 -2.261 1.00 . A A . 1 GLY HA2 1 1 3 683 1 1 1 GLY HA3 H 2.788 2.550 -1.435 1.00 . A A . 1 GLY HA3 1 1 3 684 1 1 1 GLY N N 1.476 1.329 -0.341 1.00 . A A . 1 GLY N 1 1 3 685 1 1 1 GLY O O 2.732 -0.507 -2.005 1.00 . A A . 1 GLY O 1 1 3 686 1 1 2 PRO C C 5.297 -0.752 -3.939 1.00 . A A . 2 PRO C 1 1 3 687 1 1 2 PRO CA C 3.958 -0.144 -4.425 1.00 . A A . 2 PRO CA 1 1 3 688 1 1 2 PRO CB C 4.063 0.512 -5.806 1.00 . A A . 2 PRO CB 1 1 3 689 1 1 2 PRO CD C 3.511 2.213 -4.202 1.00 . A A . 2 PRO CD 1 1 3 690 1 1 2 PRO CG C 4.334 1.981 -5.471 1.00 . A A . 2 PRO CG 1 1 3 691 1 1 2 PRO HA H 3.233 -0.957 -4.495 1.00 . A A . 2 PRO HA 1 1 3 692 1 1 2 PRO HB2 H 4.850 0.068 -6.419 1.00 . A A . 2 PRO HB2 1 1 3 693 1 1 2 PRO HB3 H 3.100 0.423 -6.312 1.00 . A A . 2 PRO HB3 1 1 3 694 1 1 2 PRO HD2 H 4.010 2.943 -3.564 1.00 . A A . 2 PRO HD2 1 1 3 695 1 1 2 PRO HD3 H 2.509 2.561 -4.465 1.00 . A A . 2 PRO HD3 1 1 3 696 1 1 2 PRO HG2 H 5.392 2.114 -5.242 1.00 . A A . 2 PRO HG2 1 1 3 697 1 1 2 PRO HG3 H 4.028 2.643 -6.282 1.00 . A A . 2 PRO HG3 1 1 3 698 1 1 2 PRO N N 3.423 0.914 -3.555 1.00 . A A . 2 PRO N 1 1 3 699 1 1 2 PRO O O 6.372 -0.320 -4.349 1.00 . A A . 2 PRO O 1 1 3 700 1 1 3 THR C C 5.828 -4.018 -2.208 1.00 . A A . 3 THR C 1 1 3 701 1 1 3 THR CA C 6.379 -2.622 -2.616 1.00 . A A . 3 THR CA 1 1 3 702 1 1 3 THR CB C 7.087 -1.814 -1.498 1.00 . A A . 3 THR CB 1 1 3 703 1 1 3 THR CG2 C 8.016 -2.491 -0.488 1.00 . A A . 3 THR CG2 1 1 3 704 1 1 3 THR H H 4.355 -2.012 -2.671 1.00 . A A . 3 THR H 1 1 3 705 1 1 3 THR HA H 7.088 -2.779 -3.427 1.00 . A A . 3 THR HA 1 1 3 706 1 1 3 THR HB H 6.326 -1.279 -0.940 1.00 . A A . 3 THR HB 1 1 3 707 1 1 3 THR HG1 H 7.391 -0.452 -2.836 1.00 . A A . 3 THR HG1 1 1 3 708 1 1 3 THR HG21 H 8.341 -1.745 0.227 1.00 . A A . 3 THR HG21 1 1 3 709 1 1 3 THR HG22 H 8.918 -2.855 -0.966 1.00 . A A . 3 THR HG22 1 1 3 710 1 1 3 THR HG23 H 7.501 -3.283 0.048 1.00 . A A . 3 THR HG23 1 1 3 711 1 1 3 THR N N 5.249 -1.790 -3.099 1.00 . A A . 3 THR N 1 1 3 712 1 1 3 THR O O 4.635 -4.266 -2.388 1.00 . A A . 3 THR O 1 1 3 713 1 1 3 THR OG1 O 7.913 -0.861 -2.126 1.00 . A A . 3 THR OG1 1 1 3 714 1 1 4 PRO C C 5.641 -6.354 0.211 1.00 . A A . 4 PRO C 1 1 3 715 1 1 4 PRO CA C 6.153 -6.295 -1.250 1.00 . A A . 4 PRO CA 1 1 3 716 1 1 4 PRO CB C 7.327 -7.275 -1.437 1.00 . A A . 4 PRO CB 1 1 3 717 1 1 4 PRO CD C 7.984 -5.211 -2.320 1.00 . A A . 4 PRO CD 1 1 3 718 1 1 4 PRO CG C 8.558 -6.378 -1.531 1.00 . A A . 4 PRO CG 1 1 3 719 1 1 4 PRO HA H 5.327 -6.646 -1.869 1.00 . A A . 4 PRO HA 1 1 3 720 1 1 4 PRO HB2 H 7.419 -7.992 -0.619 1.00 . A A . 4 PRO HB2 1 1 3 721 1 1 4 PRO HB3 H 7.204 -7.808 -2.381 1.00 . A A . 4 PRO HB3 1 1 3 722 1 1 4 PRO HD2 H 8.629 -4.344 -2.257 1.00 . A A . 4 PRO HD2 1 1 3 723 1 1 4 PRO HD3 H 7.902 -5.502 -3.368 1.00 . A A . 4 PRO HD3 1 1 3 724 1 1 4 PRO HG2 H 8.865 -6.048 -0.537 1.00 . A A . 4 PRO HG2 1 1 3 725 1 1 4 PRO HG3 H 9.382 -6.864 -2.055 1.00 . A A . 4 PRO HG3 1 1 3 726 1 1 4 PRO N N 6.643 -5.008 -1.787 1.00 . A A . 4 PRO N 1 1 3 727 1 1 4 PRO O O 5.152 -7.416 0.592 1.00 . A A . 4 PRO O 1 1 3 728 1 1 5 MET C C 4.233 -4.839 3.028 1.00 . A A . 5 MET C 1 1 3 729 1 1 5 MET CA C 5.573 -5.419 2.516 1.00 . A A . 5 MET CA 1 1 3 730 1 1 5 MET CB C 6.814 -4.847 3.241 1.00 . A A . 5 MET CB 1 1 3 731 1 1 5 MET CE C 9.568 -6.927 3.028 1.00 . A A . 5 MET CE 1 1 3 732 1 1 5 MET CG C 7.338 -5.823 4.303 1.00 . A A . 5 MET CG 1 1 3 733 1 1 5 MET H H 5.985 -4.409 0.649 1.00 . A A . 5 MET H 1 1 3 734 1 1 5 MET HA H 5.526 -6.483 2.753 1.00 . A A . 5 MET HA 1 1 3 735 1 1 5 MET HB2 H 7.621 -4.663 2.532 1.00 . A A . 5 MET HB2 1 1 3 736 1 1 5 MET HB3 H 6.574 -3.897 3.715 1.00 . A A . 5 MET HB3 1 1 3 737 1 1 5 MET HE1 H 10.101 -7.809 2.670 1.00 . A A . 5 MET HE1 1 1 3 738 1 1 5 MET HE2 H 9.472 -6.212 2.214 1.00 . A A . 5 MET HE2 1 1 3 739 1 1 5 MET HE3 H 10.139 -6.481 3.842 1.00 . A A . 5 MET HE3 1 1 3 740 1 1 5 MET HG2 H 8.156 -5.356 4.855 1.00 . A A . 5 MET HG2 1 1 3 741 1 1 5 MET HG3 H 6.537 -6.035 5.011 1.00 . A A . 5 MET HG3 1 1 3 742 1 1 5 MET N N 5.752 -5.306 1.043 1.00 . A A . 5 MET N 1 1 3 743 1 1 5 MET O O 3.417 -4.397 2.234 1.00 . A A . 5 MET O 1 1 3 744 1 1 5 MET SD S 7.928 -7.406 3.639 1.00 . A A . 5 MET SD 1 1 3 745 1 1 6 VAL C C 2.500 -3.352 5.811 1.00 . A A . 6 VAL C 1 1 3 746 1 1 6 VAL CA C 2.562 -4.526 4.828 1.00 . A A . 6 VAL CA 1 1 3 747 1 1 6 VAL CB C 1.881 -5.803 5.353 1.00 . A A . 6 VAL CB 1 1 3 748 1 1 6 VAL CG1 C 2.512 -6.364 6.631 1.00 . A A . 6 VAL CG1 1 1 3 749 1 1 6 VAL CG2 C 0.380 -5.579 5.569 1.00 . A A . 6 VAL CG2 1 1 3 750 1 1 6 VAL H H 4.625 -5.138 5.000 1.00 . A A . 6 VAL H 1 1 3 751 1 1 6 VAL HA H 1.955 -4.215 3.980 1.00 . A A . 6 VAL HA 1 1 3 752 1 1 6 VAL HB H 1.978 -6.562 4.575 1.00 . A A . 6 VAL HB 1 1 3 753 1 1 6 VAL HG11 H 2.019 -7.297 6.902 1.00 . A A . 6 VAL HG11 1 1 3 754 1 1 6 VAL HG12 H 3.568 -6.570 6.456 1.00 . A A . 6 VAL HG12 1 1 3 755 1 1 6 VAL HG13 H 2.418 -5.653 7.452 1.00 . A A . 6 VAL HG13 1 1 3 756 1 1 6 VAL HG21 H -0.100 -6.527 5.812 1.00 . A A . 6 VAL HG21 1 1 3 757 1 1 6 VAL HG22 H 0.208 -4.879 6.386 1.00 . A A . 6 VAL HG22 1 1 3 758 1 1 6 VAL HG23 H -0.070 -5.192 4.655 1.00 . A A . 6 VAL HG23 1 1 3 759 1 1 6 VAL N N 3.929 -4.834 4.334 1.00 . A A . 6 VAL N 1 1 3 760 1 1 6 VAL O O 3.306 -3.238 6.726 1.00 . A A . 6 VAL O 1 1 3 761 1 1 7 GLY C C 1.839 0.025 5.581 1.00 . A A . 7 GLY C 1 1 3 762 1 1 7 GLY CA C 1.349 -1.205 6.356 1.00 . A A . 7 GLY CA 1 1 3 763 1 1 7 GLY H H 0.939 -2.607 4.802 1.00 . A A . 7 GLY H 1 1 3 764 1 1 7 GLY HA2 H 0.287 -1.064 6.558 1.00 . A A . 7 GLY HA2 1 1 3 765 1 1 7 GLY HA3 H 1.884 -1.257 7.305 1.00 . A A . 7 GLY HA3 1 1 3 766 1 1 7 GLY N N 1.522 -2.459 5.610 1.00 . A A . 7 GLY N 1 1 3 767 1 1 7 GLY O O 2.203 -0.071 4.411 1.00 . A A . 7 GLY O 1 1 3 768 1 1 8 LEU C C 1.225 3.074 4.621 1.00 . A A . 8 LEU C 1 1 3 769 1 1 8 LEU CA C 2.161 2.541 5.728 1.00 . A A . 8 LEU CA 1 1 3 770 1 1 8 LEU CB C 3.651 2.601 5.306 1.00 . A A . 8 LEU CB 1 1 3 771 1 1 8 LEU CD1 C 3.949 5.140 5.528 1.00 . A A . 8 LEU CD1 1 1 3 772 1 1 8 LEU CD2 C 4.666 3.639 7.394 1.00 . A A . 8 LEU CD2 1 1 3 773 1 1 8 LEU CG C 4.493 3.755 5.877 1.00 . A A . 8 LEU CG 1 1 3 774 1 1 8 LEU H H 1.502 1.144 7.188 1.00 . A A . 8 LEU H 1 1 3 775 1 1 8 LEU HA H 2.023 3.224 6.565 1.00 . A A . 8 LEU HA 1 1 3 776 1 1 8 LEU HB2 H 4.151 1.672 5.580 1.00 . A A . 8 LEU HB2 1 1 3 777 1 1 8 LEU HB3 H 3.699 2.659 4.221 1.00 . A A . 8 LEU HB3 1 1 3 778 1 1 8 LEU HD11 H 3.817 5.225 4.447 1.00 . A A . 8 LEU HD11 1 1 3 779 1 1 8 LEU HD12 H 4.651 5.907 5.855 1.00 . A A . 8 LEU HD12 1 1 3 780 1 1 8 LEU HD13 H 2.986 5.307 6.011 1.00 . A A . 8 LEU HD13 1 1 3 781 1 1 8 LEU HD21 H 5.016 2.637 7.645 1.00 . A A . 8 LEU HD21 1 1 3 782 1 1 8 LEU HD22 H 3.721 3.831 7.902 1.00 . A A . 8 LEU HD22 1 1 3 783 1 1 8 LEU HD23 H 5.401 4.368 7.733 1.00 . A A . 8 LEU HD23 1 1 3 784 1 1 8 LEU HG H 5.483 3.675 5.428 1.00 . A A . 8 LEU HG 1 1 3 785 1 1 8 LEU N N 1.826 1.192 6.237 1.00 . A A . 8 LEU N 1 1 3 786 1 1 8 LEU O O 0.799 4.222 4.679 1.00 . A A . 8 LEU O 1 1 3 787 1 1 9 ASP C C -1.396 2.929 3.000 1.00 . A A . 9 ASP C 1 1 3 788 1 1 9 ASP CA C 0.002 2.513 2.509 1.00 . A A . 9 ASP CA 1 1 3 789 1 1 9 ASP CB C 0.002 1.282 1.581 1.00 . A A . 9 ASP CB 1 1 3 790 1 1 9 ASP CG C 0.254 1.649 0.110 1.00 . A A . 9 ASP CG 1 1 3 791 1 1 9 ASP H H 1.316 1.322 3.685 1.00 . A A . 9 ASP H 1 1 3 792 1 1 9 ASP HA H 0.394 3.361 1.963 1.00 . A A . 9 ASP HA 1 1 3 793 1 1 9 ASP HB2 H 0.775 0.579 1.904 1.00 . A A . 9 ASP HB2 1 1 3 794 1 1 9 ASP HB3 H -0.950 0.758 1.682 1.00 . A A . 9 ASP HB3 1 1 3 795 1 1 9 ASP N N 0.908 2.245 3.629 1.00 . A A . 9 ASP N 1 1 3 796 1 1 9 ASP O O -2.044 2.184 3.729 1.00 . A A . 9 ASP O 1 1 3 797 1 1 9 ASP OD1 O -0.741 1.416 -0.619 1.00 . A A . 9 ASP OD1 1 1 3 798 1 1 10 SER C C -4.147 4.380 3.771 1.00 . A A . 10 SER C 1 1 3 799 1 1 10 SER CA C -2.761 4.978 3.452 1.00 . A A . 10 SER CA 1 1 3 800 1 1 10 SER CB C -2.940 6.352 2.794 1.00 . A A . 10 SER CB 1 1 3 801 1 1 10 SER H H -1.221 4.630 1.998 1.00 . A A . 10 SER H 1 1 3 802 1 1 10 SER HA H -2.291 5.145 4.422 1.00 . A A . 10 SER HA 1 1 3 803 1 1 10 SER HB2 H -3.213 6.222 1.746 1.00 . A A . 10 SER HB2 1 1 3 804 1 1 10 SER HB3 H -3.745 6.893 3.296 1.00 . A A . 10 SER HB3 1 1 3 805 1 1 10 SER HG H -0.984 6.590 2.718 1.00 . A A . 10 SER HG 1 1 3 806 1 1 10 SER N N -1.826 4.150 2.651 1.00 . A A . 10 SER N 1 1 3 807 1 1 10 SER O O -4.829 4.888 4.658 1.00 . A A . 10 SER O 1 1 3 808 1 1 10 SER OG O -1.762 7.133 2.889 1.00 . A A . 10 SER OG 1 1 3 809 1 1 11 VAL C C -5.042 0.906 3.175 1.00 . A A . 11 VAL C 1 1 3 810 1 1 11 VAL CA C -5.518 2.293 3.609 1.00 . A A . 11 VAL CA 1 1 3 811 1 1 11 VAL CB C -6.979 2.520 3.141 1.00 . A A . 11 VAL CB 1 1 3 812 1 1 11 VAL CG1 C -7.909 1.420 3.681 1.00 . A A . 11 VAL CG1 1 1 3 813 1 1 11 VAL CG2 C -7.553 3.866 3.598 1.00 . A A . 11 VAL CG2 1 1 3 814 1 1 11 VAL H H -3.833 2.961 2.485 1.00 . A A . 11 VAL H 1 1 3 815 1 1 11 VAL HA H -5.500 2.314 4.699 1.00 . A A . 11 VAL HA 1 1 3 816 1 1 11 VAL HB H -7.016 2.493 2.050 1.00 . A A . 11 VAL HB 1 1 3 817 1 1 11 VAL HG11 H -7.602 0.441 3.310 1.00 . A A . 11 VAL HG11 1 1 3 818 1 1 11 VAL HG12 H -7.877 1.411 4.771 1.00 . A A . 11 VAL HG12 1 1 3 819 1 1 11 VAL HG13 H -8.933 1.596 3.351 1.00 . A A . 11 VAL HG13 1 1 3 820 1 1 11 VAL HG21 H -6.994 4.682 3.141 1.00 . A A . 11 VAL HG21 1 1 3 821 1 1 11 VAL HG22 H -8.600 3.952 3.303 1.00 . A A . 11 VAL HG22 1 1 3 822 1 1 11 VAL HG23 H -7.479 3.950 4.683 1.00 . A A . 11 VAL HG23 1 1 3 823 1 1 11 VAL N N -4.559 3.302 3.097 1.00 . A A . 11 VAL N 1 1 3 824 1 1 11 VAL O O -4.803 0.029 3.999 1.00 . A A . 11 VAL O 1 1 3 825 1 1 12 SER C C -4.465 -0.036 -0.385 1.00 . A A . 12 SER C 1 1 3 826 1 1 12 SER CA C -4.362 -0.399 1.101 1.00 . A A . 12 SER CA 1 1 3 827 1 1 12 SER CB C -5.103 -1.725 1.353 1.00 . A A . 12 SER CB 1 1 3 828 1 1 12 SER H H -5.218 1.523 1.311 1.00 . A A . 12 SER H 1 1 3 829 1 1 12 SER HA H -3.309 -0.536 1.356 1.00 . A A . 12 SER HA 1 1 3 830 1 1 12 SER HB2 H -6.180 -1.563 1.280 1.00 . A A . 12 SER HB2 1 1 3 831 1 1 12 SER HB3 H -4.807 -2.452 0.593 1.00 . A A . 12 SER HB3 1 1 3 832 1 1 12 SER HG H -4.778 -1.518 3.264 1.00 . A A . 12 SER HG 1 1 3 833 1 1 12 SER N N -4.931 0.727 1.857 1.00 . A A . 12 SER N 1 1 3 834 1 1 12 SER O O -5.485 -0.305 -1.017 1.00 . A A . 12 SER O 1 1 3 835 1 1 12 SER OG O -4.791 -2.256 2.626 1.00 . A A . 12 SER OG 1 1 3 836 1 1 13 GLY C C -2.530 -0.258 -3.030 1.00 . A A . 13 GLY C 1 1 3 837 1 1 13 GLY CA C -3.325 0.877 -2.376 1.00 . A A . 13 GLY CA 1 1 3 838 1 1 13 GLY H H -2.640 0.891 -0.380 1.00 . A A . 13 GLY H 1 1 3 839 1 1 13 GLY HA2 H -4.307 0.947 -2.844 1.00 . A A . 13 GLY HA2 1 1 3 840 1 1 13 GLY HA3 H -2.798 1.814 -2.547 1.00 . A A . 13 GLY HA3 1 1 3 841 1 1 13 GLY N N -3.461 0.655 -0.931 1.00 . A A . 13 GLY N 1 1 3 842 1 1 13 GLY O O -2.924 -0.785 -4.067 1.00 . A A . 13 GLY O 1 1 3 843 1 1 14 GLN C C -0.260 -2.427 -1.135 1.00 . A A . 14 GLN C 1 1 3 844 1 1 14 GLN CA C -0.766 -1.953 -2.518 1.00 . A A . 14 GLN CA 1 1 3 845 1 1 14 GLN CB C 0.327 -1.852 -3.616 1.00 . A A . 14 GLN CB 1 1 3 846 1 1 14 GLN CD C -0.251 -4.016 -4.856 1.00 . A A . 14 GLN CD 1 1 3 847 1 1 14 GLN CG C -0.095 -2.497 -4.945 1.00 . A A . 14 GLN CG 1 1 3 848 1 1 14 GLN H H -1.171 -0.072 -1.596 1.00 . A A . 14 GLN H 1 1 3 849 1 1 14 GLN HA H -1.505 -2.694 -2.832 1.00 . A A . 14 GLN HA 1 1 3 850 1 1 14 GLN HB2 H 0.560 -0.803 -3.805 1.00 . A A . 14 GLN HB2 1 1 3 851 1 1 14 GLN HB3 H 1.252 -2.339 -3.309 1.00 . A A . 14 GLN HB3 1 1 3 852 1 1 14 GLN HE21 H 1.551 -4.353 -3.928 1.00 . A A . 14 GLN HE21 1 1 3 853 1 1 14 GLN HE22 H 0.481 -5.716 -4.304 1.00 . A A . 14 GLN HE22 1 1 3 854 1 1 14 GLN HG2 H -1.033 -2.058 -5.286 1.00 . A A . 14 GLN HG2 1 1 3 855 1 1 14 GLN HG3 H 0.670 -2.280 -5.691 1.00 . A A . 14 GLN HG3 1 1 3 856 1 1 14 GLN N N -1.442 -0.666 -2.375 1.00 . A A . 14 GLN N 1 1 3 857 1 1 14 GLN NE2 N 0.716 -4.740 -4.334 1.00 . A A . 14 GLN NE2 1 1 3 858 1 1 14 GLN O O -1.042 -2.941 -0.343 1.00 . A A . 14 GLN O 1 1 3 859 1 1 14 GLN OE1 O -1.230 -4.601 -5.281 1.00 . A A . 14 GLN OE1 1 1 3 860 1 1 15 TYR C C 3.166 -2.209 0.411 1.00 . A A . 15 TYR C 1 1 3 861 1 1 15 TYR CA C 1.853 -2.981 0.115 1.00 . A A . 15 TYR CA 1 1 3 862 1 1 15 TYR CB C 2.137 -4.381 -0.492 1.00 . A A . 15 TYR CB 1 1 3 863 1 1 15 TYR CD1 C 0.426 -5.607 0.960 1.00 . A A . 15 TYR CD1 1 1 3 864 1 1 15 TYR CD2 C 0.819 -6.375 -1.316 1.00 . A A . 15 TYR CD2 1 1 3 865 1 1 15 TYR CE1 C -0.542 -6.613 1.137 1.00 . A A . 15 TYR CE1 1 1 3 866 1 1 15 TYR CE2 C -0.148 -7.385 -1.147 1.00 . A A . 15 TYR CE2 1 1 3 867 1 1 15 TYR CG C 1.089 -5.464 -0.277 1.00 . A A . 15 TYR CG 1 1 3 868 1 1 15 TYR CZ C -0.837 -7.499 0.078 1.00 . A A . 15 TYR CZ 1 1 3 869 1 1 15 TYR H H 1.568 -1.704 -1.499 1.00 . A A . 15 TYR H 1 1 3 870 1 1 15 TYR HA H 1.325 -3.089 1.059 1.00 . A A . 15 TYR HA 1 1 3 871 1 1 15 TYR HB2 H 2.280 -4.258 -1.565 1.00 . A A . 15 TYR HB2 1 1 3 872 1 1 15 TYR HB3 H 3.078 -4.778 -0.118 1.00 . A A . 15 TYR HB3 1 1 3 873 1 1 15 TYR HD1 H 0.662 -4.948 1.780 1.00 . A A . 15 TYR HD1 1 1 3 874 1 1 15 TYR HD2 H 1.376 -6.303 -2.237 1.00 . A A . 15 TYR HD2 1 1 3 875 1 1 15 TYR HE1 H -1.053 -6.696 2.082 1.00 . A A . 15 TYR HE1 1 1 3 876 1 1 15 TYR HE2 H -0.370 -8.080 -1.942 1.00 . A A . 15 TYR HE2 1 1 3 877 1 1 15 TYR HH H -2.165 -8.408 1.113 1.00 . A A . 15 TYR HH 1 1 3 878 1 1 15 TYR N N 1.026 -2.244 -0.838 1.00 . A A . 15 TYR N 1 1 3 879 1 1 15 TYR O O 4.182 -2.423 -0.246 1.00 . A A . 15 TYR O 1 1 3 880 1 1 15 TYR OH O -1.771 -8.473 0.244 1.00 . A A . 15 TYR OH 1 1 3 881 1 1 16 TRP C C 4.569 0.755 1.053 1.00 . A A . 16 TRP C 1 1 3 882 1 1 16 TRP CA C 4.285 -0.496 1.904 1.00 . A A . 16 TRP CA 1 1 3 883 1 1 16 TRP CB C 5.543 -1.349 2.139 1.00 . A A . 16 TRP CB 1 1 3 884 1 1 16 TRP CD1 C 7.841 -0.559 2.879 1.00 . A A . 16 TRP CD1 1 1 3 885 1 1 16 TRP CD2 C 6.416 -0.787 4.593 1.00 . A A . 16 TRP CD2 1 1 3 886 1 1 16 TRP CE2 C 7.693 -0.491 5.154 1.00 . A A . 16 TRP CE2 1 1 3 887 1 1 16 TRP CE3 C 5.350 -0.982 5.496 1.00 . A A . 16 TRP CE3 1 1 3 888 1 1 16 TRP CG C 6.552 -0.871 3.143 1.00 . A A . 16 TRP CG 1 1 3 889 1 1 16 TRP CH2 C 6.806 -0.568 7.411 1.00 . A A . 16 TRP CH2 1 1 3 890 1 1 16 TRP CZ2 C 7.896 -0.397 6.541 1.00 . A A . 16 TRP CZ2 1 1 3 891 1 1 16 TRP CZ3 C 5.534 -0.862 6.886 1.00 . A A . 16 TRP CZ3 1 1 3 892 1 1 16 TRP H H 2.276 -1.238 1.907 1.00 . A A . 16 TRP H 1 1 3 893 1 1 16 TRP HA H 4.000 -0.135 2.886 1.00 . A A . 16 TRP HA 1 1 3 894 1 1 16 TRP HB2 H 5.221 -2.328 2.483 1.00 . A A . 16 TRP HB2 1 1 3 895 1 1 16 TRP HB3 H 6.052 -1.503 1.194 1.00 . A A . 16 TRP HB3 1 1 3 896 1 1 16 TRP HD1 H 8.294 -0.548 1.896 1.00 . A A . 16 TRP HD1 1 1 3 897 1 1 16 TRP HE1 H 9.554 -0.426 4.086 1.00 . A A . 16 TRP HE1 1 1 3 898 1 1 16 TRP HE3 H 4.390 -1.274 5.099 1.00 . A A . 16 TRP HE3 1 1 3 899 1 1 16 TRP HH2 H 6.949 -0.533 8.483 1.00 . A A . 16 TRP HH2 1 1 3 900 1 1 16 TRP HZ2 H 8.887 -0.255 6.936 1.00 . A A . 16 TRP HZ2 1 1 3 901 1 1 16 TRP HZ3 H 4.706 -1.065 7.554 1.00 . A A . 16 TRP HZ3 1 1 3 902 1 1 16 TRP N N 3.149 -1.311 1.411 1.00 . A A . 16 TRP N 1 1 3 903 1 1 16 TRP NE1 N 8.536 -0.406 4.064 1.00 . A A . 16 TRP NE1 1 1 3 904 1 1 16 TRP O O 5.015 0.688 -0.084 1.00 . A A . 16 TRP O 1 1 3 905 1 1 17 ASP C C 5.701 4.021 1.428 1.00 . A A . 17 ASP C 1 1 3 906 1 1 17 ASP CA C 4.422 3.267 0.997 1.00 . A A . 17 ASP CA 1 1 3 907 1 1 17 ASP CB C 3.159 4.090 1.342 1.00 . A A . 17 ASP CB 1 1 3 908 1 1 17 ASP CG C 2.385 4.622 0.127 1.00 . A A . 17 ASP CG 1 1 3 909 1 1 17 ASP H H 3.897 1.895 2.548 1.00 . A A . 17 ASP H 1 1 3 910 1 1 17 ASP HA H 4.482 3.151 -0.086 1.00 . A A . 17 ASP HA 1 1 3 911 1 1 17 ASP HB2 H 2.493 3.454 1.913 1.00 . A A . 17 ASP HB2 1 1 3 912 1 1 17 ASP HB3 H 3.408 4.923 2.000 1.00 . A A . 17 ASP HB3 1 1 3 913 1 1 17 ASP N N 4.290 1.929 1.623 1.00 . A A . 17 ASP N 1 1 3 914 1 1 17 ASP O O 5.833 5.235 1.271 1.00 . A A . 17 ASP O 1 1 3 915 1 1 17 ASP OD1 O 3.020 4.944 -0.900 1.00 . A A . 17 ASP OD1 1 1 3 916 1 1 17 ASP OD2 O 1.134 4.638 0.220 1.00 . A A . 17 ASP OD2 1 1 3 917 1 1 18 GLN C C 8.886 4.382 1.786 1.00 . A A . 18 GLN C 1 1 3 918 1 1 18 GLN CA C 7.748 4.007 2.755 1.00 . A A . 18 GLN CA 1 1 3 919 1 1 18 GLN CB C 8.277 3.124 3.896 1.00 . A A . 18 GLN CB 1 1 3 920 1 1 18 GLN CD C 9.813 3.335 5.880 1.00 . A A . 18 GLN CD 1 1 3 921 1 1 18 GLN CG C 8.665 3.970 5.116 1.00 . A A . 18 GLN CG 1 1 3 922 1 1 18 GLN H H 6.547 2.329 2.110 1.00 . A A . 18 GLN H 1 1 3 923 1 1 18 GLN HA H 7.352 4.929 3.184 1.00 . A A . 18 GLN HA 1 1 3 924 1 1 18 GLN HB2 H 7.516 2.409 4.212 1.00 . A A . 18 GLN HB2 1 1 3 925 1 1 18 GLN HB3 H 9.143 2.564 3.534 1.00 . A A . 18 GLN HB3 1 1 3 926 1 1 18 GLN HE21 H 8.680 1.868 6.707 1.00 . A A . 18 GLN HE21 1 1 3 927 1 1 18 GLN HE22 H 10.404 1.898 7.083 1.00 . A A . 18 GLN HE22 1 1 3 928 1 1 18 GLN HG2 H 8.985 4.965 4.805 1.00 . A A . 18 GLN HG2 1 1 3 929 1 1 18 GLN HG3 H 7.804 4.090 5.774 1.00 . A A . 18 GLN HG3 1 1 3 930 1 1 18 GLN N N 6.633 3.335 2.096 1.00 . A A . 18 GLN N 1 1 3 931 1 1 18 GLN NE2 N 9.588 2.308 6.659 1.00 . A A . 18 GLN NE2 1 1 3 932 1 1 18 GLN O O 9.114 3.746 0.766 1.00 . A A . 18 GLN O 1 1 3 933 1 1 18 GLN OE1 O 10.948 3.768 5.760 1.00 . A A . 18 GLN OE1 1 1 3 934 1 1 19 HIS C C 12.083 4.752 1.339 1.00 . A A . 19 HIS C 1 1 3 935 1 1 19 HIS CA C 10.953 5.803 1.517 1.00 . A A . 19 HIS CA 1 1 3 936 1 1 19 HIS CB C 11.478 7.056 2.249 1.00 . A A . 19 HIS CB 1 1 3 937 1 1 19 HIS CD2 C 13.376 7.538 3.893 1.00 . A A . 19 HIS CD2 1 1 3 938 1 1 19 HIS CE1 C 13.137 5.865 5.323 1.00 . A A . 19 HIS CE1 1 1 3 939 1 1 19 HIS CG C 12.290 6.801 3.507 1.00 . A A . 19 HIS CG 1 1 3 940 1 1 19 HIS H H 9.366 5.887 2.967 1.00 . A A . 19 HIS H 1 1 3 941 1 1 19 HIS HA H 10.676 6.104 0.503 1.00 . A A . 19 HIS HA 1 1 3 942 1 1 19 HIS HB2 H 12.123 7.590 1.548 1.00 . A A . 19 HIS HB2 1 1 3 943 1 1 19 HIS HB3 H 10.645 7.723 2.482 1.00 . A A . 19 HIS HB3 1 1 3 944 1 1 19 HIS HD1 H 11.494 4.980 4.424 1.00 . A A . 19 HIS HD1 1 1 3 945 1 1 19 HIS HD2 H 13.770 8.396 3.362 1.00 . A A . 19 HIS HD2 1 1 3 946 1 1 19 HIS HE1 H 13.282 5.158 6.139 1.00 . A A . 19 HIS HE1 1 1 3 947 1 1 19 HIS HE2 H 14.715 7.245 5.544 1.00 . A A . 19 HIS HE2 1 1 3 948 1 1 19 HIS N N 9.715 5.353 2.188 1.00 . A A . 19 HIS N 1 1 3 949 1 1 19 HIS ND1 N 12.160 5.756 4.407 1.00 . A A . 19 HIS ND1 1 1 3 950 1 1 19 HIS NE2 N 13.891 6.945 5.035 1.00 . A A . 19 HIS NE2 1 1 3 951 1 1 19 HIS O O 13.237 5.142 1.169 1.00 . A A . 19 HIS O 1 1 3 952 1 1 20 ALA C C 12.151 1.181 0.603 1.00 . A A . 20 ALA C 1 1 3 953 1 1 20 ALA CA C 12.751 2.349 1.419 1.00 . A A . 20 ALA CA 1 1 3 954 1 1 20 ALA CB C 13.084 1.925 2.858 1.00 . A A . 20 ALA CB 1 1 3 955 1 1 20 ALA H H 10.821 3.195 1.401 1.00 . A A . 20 ALA H 1 1 3 956 1 1 20 ALA HA H 13.663 2.692 0.930 1.00 . A A . 20 ALA HA 1 1 3 957 1 1 20 ALA HB1 H 13.467 2.776 3.421 1.00 . A A . 20 ALA HB1 1 1 3 958 1 1 20 ALA HB2 H 12.187 1.538 3.346 1.00 . A A . 20 ALA HB2 1 1 3 959 1 1 20 ALA HB3 H 13.840 1.140 2.849 1.00 . A A . 20 ALA HB3 1 1 3 960 1 1 20 ALA N N 11.800 3.458 1.476 1.00 . A A . 20 ALA N 1 1 3 961 1 1 20 ALA O O 10.937 0.999 0.644 1.00 . A A . 20 ALA O 1 1 3 962 1 1 21 PRO C C 11.904 -1.923 -0.395 1.00 . A A . 21 PRO C 1 1 3 963 1 1 21 PRO CA C 12.499 -0.656 -1.046 1.00 . A A . 21 PRO CA 1 1 3 964 1 1 21 PRO CB C 13.739 -0.997 -1.885 1.00 . A A . 21 PRO CB 1 1 3 965 1 1 21 PRO CD C 14.422 0.457 -0.128 1.00 . A A . 21 PRO CD 1 1 3 966 1 1 21 PRO CG C 14.899 -0.756 -0.921 1.00 . A A . 21 PRO CG 1 1 3 967 1 1 21 PRO HA H 11.732 -0.237 -1.699 1.00 . A A . 21 PRO HA 1 1 3 968 1 1 21 PRO HB2 H 13.733 -2.024 -2.254 1.00 . A A . 21 PRO HB2 1 1 3 969 1 1 21 PRO HB3 H 13.813 -0.299 -2.721 1.00 . A A . 21 PRO HB3 1 1 3 970 1 1 21 PRO HD2 H 14.841 0.430 0.878 1.00 . A A . 21 PRO HD2 1 1 3 971 1 1 21 PRO HD3 H 14.722 1.371 -0.643 1.00 . A A . 21 PRO HD3 1 1 3 972 1 1 21 PRO HG2 H 15.014 -1.610 -0.251 1.00 . A A . 21 PRO HG2 1 1 3 973 1 1 21 PRO HG3 H 15.831 -0.549 -1.448 1.00 . A A . 21 PRO HG3 1 1 3 974 1 1 21 PRO N N 12.968 0.375 -0.103 1.00 . A A . 21 PRO N 1 1 3 975 1 1 21 PRO O O 11.520 -2.848 -1.106 1.00 . A A . 21 PRO O 1 1 3 976 1 1 22 LEU C C 11.437 -2.567 3.276 1.00 . A A . 22 LEU C 1 1 3 977 1 1 22 LEU CA C 11.428 -3.067 1.812 1.00 . A A . 22 LEU CA 1 1 3 978 1 1 22 LEU CB C 12.235 -4.366 1.552 1.00 . A A . 22 LEU CB 1 1 3 979 1 1 22 LEU CD1 C 14.419 -3.944 2.891 1.00 . A A . 22 LEU CD1 1 1 3 980 1 1 22 LEU CD2 C 14.337 -5.658 1.114 1.00 . A A . 22 LEU CD2 1 1 3 981 1 1 22 LEU CG C 13.779 -4.302 1.548 1.00 . A A . 22 LEU CG 1 1 3 982 1 1 22 LEU H H 12.136 -1.135 1.423 1.00 . A A . 22 LEU H 1 1 3 983 1 1 22 LEU HA H 10.387 -3.278 1.566 1.00 . A A . 22 LEU HA 1 1 3 984 1 1 22 LEU HB2 H 11.913 -5.127 2.258 1.00 . A A . 22 LEU HB2 1 1 3 985 1 1 22 LEU HB3 H 11.929 -4.740 0.575 1.00 . A A . 22 LEU HB3 1 1 3 986 1 1 22 LEU HD11 H 14.126 -2.950 3.215 1.00 . A A . 22 LEU HD11 1 1 3 987 1 1 22 LEU HD12 H 15.504 -3.982 2.816 1.00 . A A . 22 LEU HD12 1 1 3 988 1 1 22 LEU HD13 H 14.116 -4.673 3.645 1.00 . A A . 22 LEU HD13 1 1 3 989 1 1 22 LEU HD21 H 15.424 -5.630 1.096 1.00 . A A . 22 LEU HD21 1 1 3 990 1 1 22 LEU HD22 H 13.964 -5.918 0.126 1.00 . A A . 22 LEU HD22 1 1 3 991 1 1 22 LEU HD23 H 14.018 -6.424 1.826 1.00 . A A . 22 LEU HD23 1 1 3 992 1 1 22 LEU HG H 14.104 -3.562 0.817 1.00 . A A . 22 LEU HG 1 1 3 993 1 1 22 LEU N N 11.889 -1.983 0.938 1.00 . A A . 22 LEU N 1 1 3 994 1 1 22 LEU O O 11.368 -1.351 3.510 1.00 . A A . 22 LEU O 1 1 3 995 1 1 23 ALA C C 12.722 -4.290 6.199 1.00 . A A . 23 ALA C 1 1 3 996 1 1 23 ALA CA C 11.858 -3.155 5.640 1.00 . A A . 23 ALA CA 1 1 3 997 1 1 23 ALA CB C 10.577 -2.916 6.451 1.00 . A A . 23 ALA CB 1 1 3 998 1 1 23 ALA H H 11.630 -4.450 4.003 1.00 . A A . 23 ALA H 1 1 3 999 1 1 23 ALA HA H 12.467 -2.252 5.665 1.00 . A A . 23 ALA HA 1 1 3 1000 1 1 23 ALA HB1 H 10.059 -2.050 6.054 1.00 . A A . 23 ALA HB1 1 1 3 1001 1 1 23 ALA HB2 H 9.915 -3.782 6.391 1.00 . A A . 23 ALA HB2 1 1 3 1002 1 1 23 ALA HB3 H 10.836 -2.747 7.496 1.00 . A A . 23 ALA HB3 1 1 3 1003 1 1 23 ALA N N 11.509 -3.470 4.255 1.00 . A A . 23 ALA N 1 1 3 1004 1 1 23 ALA O O 13.933 -4.126 6.344 1.00 . A A . 23 ALA O 1 1 3 1005 1 1 24 ASP C C 13.145 -7.180 5.057 1.00 . A A . 24 ASP C 1 1 3 1006 1 1 24 ASP CA C 12.559 -6.795 6.431 1.00 . A A . 24 ASP CA 1 1 3 1007 1 1 24 ASP CB C 11.369 -7.723 6.788 1.00 . A A . 24 ASP CB 1 1 3 1008 1 1 24 ASP CG C 10.393 -7.157 7.844 1.00 . A A . 24 ASP CG 1 1 3 1009 1 1 24 ASP H H 11.046 -5.380 6.402 1.00 . A A . 24 ASP H 1 1 3 1010 1 1 24 ASP HA H 13.339 -6.909 7.183 1.00 . A A . 24 ASP HA 1 1 3 1011 1 1 24 ASP HB2 H 10.793 -7.907 5.880 1.00 . A A . 24 ASP HB2 1 1 3 1012 1 1 24 ASP HB3 H 11.759 -8.684 7.123 1.00 . A A . 24 ASP HB3 1 1 3 1013 1 1 24 ASP N N 12.060 -5.418 6.441 1.00 . A A . 24 ASP N 1 1 3 1014 1 1 24 ASP O O 14.108 -7.977 5.031 1.00 . A A . 24 ASP O 1 1 3 1015 1 1 24 ASP OXT O 12.618 -6.658 4.040 1.00 . A A . 24 ASP OXT 1 1 3 1016 1 1 24 ASP OD1 O 9.527 -6.336 7.449 1.00 . A A . 24 ASP OD1 1 1 3 1017 1 1 24 ASP OD2 O 10.512 -7.530 9.036 1.00 . A A . 24 ASP OD2 1 1 4 1018 1 1 1 GLY C C 1.769 -0.938 -1.512 1.00 . A A . 1 GLY C 1 1 4 1019 1 1 1 GLY CA C 1.171 0.301 -0.812 1.00 . A A . 1 GLY CA 1 1 4 1020 1 1 1 GLY H1 H 0.804 -0.841 0.910 1.00 . A A . 1 GLY H1 1 1 4 1021 1 1 1 GLY HA2 H 0.488 0.793 -1.505 1.00 . A A . 1 GLY HA2 1 1 4 1022 1 1 1 GLY HA3 H 1.969 0.995 -0.551 1.00 . A A . 1 GLY HA3 1 1 4 1023 1 1 1 GLY N N 0.460 -0.032 0.417 1.00 . A A . 1 GLY N 1 1 4 1024 1 1 1 GLY O O 1.190 -2.029 -1.407 1.00 . A A . 1 GLY O 1 1 4 1025 1 1 2 PRO C C 4.694 -2.420 -2.920 1.00 . A A . 2 PRO C 1 1 4 1026 1 1 2 PRO CA C 3.329 -1.774 -3.287 1.00 . A A . 2 PRO CA 1 1 4 1027 1 1 2 PRO CB C 3.420 -0.946 -4.577 1.00 . A A . 2 PRO CB 1 1 4 1028 1 1 2 PRO CD C 3.410 0.520 -2.677 1.00 . A A . 2 PRO CD 1 1 4 1029 1 1 2 PRO CG C 4.037 0.359 -4.064 1.00 . A A . 2 PRO CG 1 1 4 1030 1 1 2 PRO HA H 2.600 -2.569 -3.432 1.00 . A A . 2 PRO HA 1 1 4 1031 1 1 2 PRO HB2 H 4.022 -1.418 -5.355 1.00 . A A . 2 PRO HB2 1 1 4 1032 1 1 2 PRO HB3 H 2.418 -0.748 -4.962 1.00 . A A . 2 PRO HB3 1 1 4 1033 1 1 2 PRO HD2 H 4.166 0.815 -1.947 1.00 . A A . 2 PRO HD2 1 1 4 1034 1 1 2 PRO HD3 H 2.636 1.284 -2.742 1.00 . A A . 2 PRO HD3 1 1 4 1035 1 1 2 PRO HG2 H 5.119 0.262 -3.973 1.00 . A A . 2 PRO HG2 1 1 4 1036 1 1 2 PRO HG3 H 3.785 1.198 -4.711 1.00 . A A . 2 PRO HG3 1 1 4 1037 1 1 2 PRO N N 2.837 -0.778 -2.326 1.00 . A A . 2 PRO N 1 1 4 1038 1 1 2 PRO O O 5.624 -2.376 -3.724 1.00 . A A . 2 PRO O 1 1 4 1039 1 1 3 THR C C 6.080 -5.058 -0.862 1.00 . A A . 3 THR C 1 1 4 1040 1 1 3 THR CA C 6.167 -3.573 -1.279 1.00 . A A . 3 THR CA 1 1 4 1041 1 1 3 THR CB C 6.763 -2.680 -0.169 1.00 . A A . 3 THR CB 1 1 4 1042 1 1 3 THR CG2 C 6.530 -1.183 -0.362 1.00 . A A . 3 THR CG2 1 1 4 1043 1 1 3 THR H H 4.079 -3.078 -1.093 1.00 . A A . 3 THR H 1 1 4 1044 1 1 3 THR HA H 6.874 -3.535 -2.108 1.00 . A A . 3 THR HA 1 1 4 1045 1 1 3 THR HB H 7.840 -2.811 -0.165 1.00 . A A . 3 THR HB 1 1 4 1046 1 1 3 THR HG1 H 5.302 -3.015 1.060 1.00 . A A . 3 THR HG1 1 1 4 1047 1 1 3 THR HG21 H 6.959 -0.639 0.477 1.00 . A A . 3 THR HG21 1 1 4 1048 1 1 3 THR HG22 H 5.472 -0.950 -0.409 1.00 . A A . 3 THR HG22 1 1 4 1049 1 1 3 THR HG23 H 7.004 -0.866 -1.293 1.00 . A A . 3 THR HG23 1 1 4 1050 1 1 3 THR N N 4.856 -3.036 -1.742 1.00 . A A . 3 THR N 1 1 4 1051 1 1 3 THR O O 4.986 -5.616 -0.870 1.00 . A A . 3 THR O 1 1 4 1052 1 1 3 THR OG1 O 6.281 -3.044 1.102 1.00 . A A . 3 THR OG1 1 1 4 1053 1 1 4 PRO C C 6.778 -7.265 1.488 1.00 . A A . 4 PRO C 1 1 4 1054 1 1 4 PRO CA C 7.114 -7.154 -0.020 1.00 . A A . 4 PRO CA 1 1 4 1055 1 1 4 PRO CB C 8.487 -7.734 -0.377 1.00 . A A . 4 PRO CB 1 1 4 1056 1 1 4 PRO CD C 8.573 -5.349 -0.591 1.00 . A A . 4 PRO CD 1 1 4 1057 1 1 4 PRO CG C 9.413 -6.547 -0.150 1.00 . A A . 4 PRO CG 1 1 4 1058 1 1 4 PRO HA H 6.355 -7.712 -0.566 1.00 . A A . 4 PRO HA 1 1 4 1059 1 1 4 PRO HB2 H 8.771 -8.594 0.230 1.00 . A A . 4 PRO HB2 1 1 4 1060 1 1 4 PRO HB3 H 8.503 -8.007 -1.434 1.00 . A A . 4 PRO HB3 1 1 4 1061 1 1 4 PRO HD2 H 8.788 -4.523 0.083 1.00 . A A . 4 PRO HD2 1 1 4 1062 1 1 4 PRO HD3 H 8.817 -5.080 -1.619 1.00 . A A . 4 PRO HD3 1 1 4 1063 1 1 4 PRO HG2 H 9.641 -6.461 0.913 1.00 . A A . 4 PRO HG2 1 1 4 1064 1 1 4 PRO HG3 H 10.327 -6.635 -0.735 1.00 . A A . 4 PRO HG3 1 1 4 1065 1 1 4 PRO N N 7.177 -5.766 -0.504 1.00 . A A . 4 PRO N 1 1 4 1066 1 1 4 PRO O O 7.222 -8.199 2.156 1.00 . A A . 4 PRO O 1 1 4 1067 1 1 5 MET C C 4.168 -6.076 3.649 1.00 . A A . 5 MET C 1 1 4 1068 1 1 5 MET CA C 5.700 -6.199 3.480 1.00 . A A . 5 MET CA 1 1 4 1069 1 1 5 MET CB C 6.530 -5.077 4.135 1.00 . A A . 5 MET CB 1 1 4 1070 1 1 5 MET CE C 10.705 -4.582 4.181 1.00 . A A . 5 MET CE 1 1 4 1071 1 1 5 MET CG C 8.041 -5.289 3.956 1.00 . A A . 5 MET CG 1 1 4 1072 1 1 5 MET H H 5.631 -5.612 1.430 1.00 . A A . 5 MET H 1 1 4 1073 1 1 5 MET HA H 5.977 -7.133 3.968 1.00 . A A . 5 MET HA 1 1 4 1074 1 1 5 MET HB2 H 6.277 -4.126 3.679 1.00 . A A . 5 MET HB2 1 1 4 1075 1 1 5 MET HB3 H 6.306 -5.029 5.201 1.00 . A A . 5 MET HB3 1 1 4 1076 1 1 5 MET HE1 H 11.480 -3.942 4.605 1.00 . A A . 5 MET HE1 1 1 4 1077 1 1 5 MET HE2 H 10.897 -5.616 4.469 1.00 . A A . 5 MET HE2 1 1 4 1078 1 1 5 MET HE3 H 10.725 -4.498 3.094 1.00 . A A . 5 MET HE3 1 1 4 1079 1 1 5 MET HG2 H 8.302 -6.286 4.312 1.00 . A A . 5 MET HG2 1 1 4 1080 1 1 5 MET HG3 H 8.272 -5.235 2.892 1.00 . A A . 5 MET HG3 1 1 4 1081 1 1 5 MET N N 6.046 -6.296 2.051 1.00 . A A . 5 MET N 1 1 4 1082 1 1 5 MET O O 3.434 -6.386 2.715 1.00 . A A . 5 MET O 1 1 4 1083 1 1 5 MET SD S 9.081 -4.069 4.806 1.00 . A A . 5 MET SD 1 1 4 1084 1 1 6 VAL C C 1.720 -4.678 6.088 1.00 . A A . 6 VAL C 1 1 4 1085 1 1 6 VAL CA C 2.174 -5.732 5.073 1.00 . A A . 6 VAL CA 1 1 4 1086 1 1 6 VAL CB C 1.715 -7.152 5.477 1.00 . A A . 6 VAL CB 1 1 4 1087 1 1 6 VAL CG1 C 2.232 -7.611 6.848 1.00 . A A . 6 VAL CG1 1 1 4 1088 1 1 6 VAL CG2 C 0.193 -7.311 5.444 1.00 . A A . 6 VAL CG2 1 1 4 1089 1 1 6 VAL H H 4.233 -5.448 5.597 1.00 . A A . 6 VAL H 1 1 4 1090 1 1 6 VAL HA H 1.676 -5.494 4.136 1.00 . A A . 6 VAL HA 1 1 4 1091 1 1 6 VAL HB H 2.110 -7.850 4.739 1.00 . A A . 6 VAL HB 1 1 4 1092 1 1 6 VAL HG11 H 1.936 -8.644 7.026 1.00 . A A . 6 VAL HG11 1 1 4 1093 1 1 6 VAL HG12 H 3.320 -7.554 6.873 1.00 . A A . 6 VAL HG12 1 1 4 1094 1 1 6 VAL HG13 H 1.821 -6.983 7.639 1.00 . A A . 6 VAL HG13 1 1 4 1095 1 1 6 VAL HG21 H -0.273 -6.732 6.240 1.00 . A A . 6 VAL HG21 1 1 4 1096 1 1 6 VAL HG22 H -0.188 -6.979 4.478 1.00 . A A . 6 VAL HG22 1 1 4 1097 1 1 6 VAL HG23 H -0.062 -8.363 5.575 1.00 . A A . 6 VAL HG23 1 1 4 1098 1 1 6 VAL N N 3.636 -5.728 4.832 1.00 . A A . 6 VAL N 1 1 4 1099 1 1 6 VAL O O 2.436 -4.382 7.045 1.00 . A A . 6 VAL O 1 1 4 1100 1 1 7 GLY C C 0.502 -1.732 6.553 1.00 . A A . 7 GLY C 1 1 4 1101 1 1 7 GLY CA C -0.081 -3.130 6.780 1.00 . A A . 7 GLY CA 1 1 4 1102 1 1 7 GLY H H 0.011 -4.370 5.045 1.00 . A A . 7 GLY H 1 1 4 1103 1 1 7 GLY HA2 H -1.154 -3.090 6.600 1.00 . A A . 7 GLY HA2 1 1 4 1104 1 1 7 GLY HA3 H 0.089 -3.410 7.818 1.00 . A A . 7 GLY HA3 1 1 4 1105 1 1 7 GLY N N 0.506 -4.146 5.904 1.00 . A A . 7 GLY N 1 1 4 1106 1 1 7 GLY O O 1.305 -1.531 5.649 1.00 . A A . 7 GLY O 1 1 4 1107 1 1 8 LEU C C -0.167 1.426 6.110 1.00 . A A . 8 LEU C 1 1 4 1108 1 1 8 LEU CA C 0.439 0.682 7.318 1.00 . A A . 8 LEU CA 1 1 4 1109 1 1 8 LEU CB C 1.979 0.855 7.432 1.00 . A A . 8 LEU CB 1 1 4 1110 1 1 8 LEU CD1 C 2.481 3.251 6.594 1.00 . A A . 8 LEU CD1 1 1 4 1111 1 1 8 LEU CD2 C 2.008 2.865 9.014 1.00 . A A . 8 LEU CD2 1 1 4 1112 1 1 8 LEU CG C 2.578 2.244 7.738 1.00 . A A . 8 LEU CG 1 1 4 1113 1 1 8 LEU H H -0.576 -1.027 8.075 1.00 . A A . 8 LEU H 1 1 4 1114 1 1 8 LEU HA H -0.003 1.142 8.201 1.00 . A A . 8 LEU HA 1 1 4 1115 1 1 8 LEU HB2 H 2.329 0.188 8.221 1.00 . A A . 8 LEU HB2 1 1 4 1116 1 1 8 LEU HB3 H 2.440 0.514 6.506 1.00 . A A . 8 LEU HB3 1 1 4 1117 1 1 8 LEU HD11 H 1.478 3.664 6.511 1.00 . A A . 8 LEU HD11 1 1 4 1118 1 1 8 LEU HD12 H 2.736 2.778 5.645 1.00 . A A . 8 LEU HD12 1 1 4 1119 1 1 8 LEU HD13 H 3.169 4.075 6.770 1.00 . A A . 8 LEU HD13 1 1 4 1120 1 1 8 LEU HD21 H 2.100 2.163 9.841 1.00 . A A . 8 LEU HD21 1 1 4 1121 1 1 8 LEU HD22 H 0.960 3.125 8.870 1.00 . A A . 8 LEU HD22 1 1 4 1122 1 1 8 LEU HD23 H 2.562 3.771 9.255 1.00 . A A . 8 LEU HD23 1 1 4 1123 1 1 8 LEU HG H 3.643 2.085 7.912 1.00 . A A . 8 LEU HG 1 1 4 1124 1 1 8 LEU N N 0.091 -0.757 7.373 1.00 . A A . 8 LEU N 1 1 4 1125 1 1 8 LEU O O -0.691 2.518 6.294 1.00 . A A . 8 LEU O 1 1 4 1126 1 1 9 ASP C C -1.219 2.592 3.450 1.00 . A A . 9 ASP C 1 1 4 1127 1 1 9 ASP CA C -0.216 1.434 3.592 1.00 . A A . 9 ASP CA 1 1 4 1128 1 1 9 ASP CB C -0.467 0.341 2.553 1.00 . A A . 9 ASP CB 1 1 4 1129 1 1 9 ASP CG C -0.294 0.819 1.112 1.00 . A A . 9 ASP CG 1 1 4 1130 1 1 9 ASP H H 0.273 -0.112 4.943 1.00 . A A . 9 ASP H 1 1 4 1131 1 1 9 ASP HA H 0.771 1.832 3.385 1.00 . A A . 9 ASP HA 1 1 4 1132 1 1 9 ASP HB2 H 0.200 -0.498 2.760 1.00 . A A . 9 ASP HB2 1 1 4 1133 1 1 9 ASP HB3 H -1.480 -0.019 2.655 1.00 . A A . 9 ASP HB3 1 1 4 1134 1 1 9 ASP N N -0.119 0.821 4.921 1.00 . A A . 9 ASP N 1 1 4 1135 1 1 9 ASP O O -2.437 2.395 3.453 1.00 . A A . 9 ASP O 1 1 4 1136 1 1 9 ASP OD1 O -1.361 1.253 0.598 1.00 . A A . 9 ASP OD1 1 1 4 1137 1 1 10 SER C C -2.330 5.228 1.975 1.00 . A A . 10 SER C 1 1 4 1138 1 1 10 SER CA C -1.356 5.090 3.163 1.00 . A A . 10 SER CA 1 1 4 1139 1 1 10 SER CB C -0.280 6.182 3.093 1.00 . A A . 10 SER CB 1 1 4 1140 1 1 10 SER H H 0.345 3.809 3.267 1.00 . A A . 10 SER H 1 1 4 1141 1 1 10 SER HA H -1.929 5.246 4.077 1.00 . A A . 10 SER HA 1 1 4 1142 1 1 10 SER HB2 H 0.432 6.049 3.908 1.00 . A A . 10 SER HB2 1 1 4 1143 1 1 10 SER HB3 H 0.260 6.099 2.148 1.00 . A A . 10 SER HB3 1 1 4 1144 1 1 10 SER HG H -1.669 7.439 2.639 1.00 . A A . 10 SER HG 1 1 4 1145 1 1 10 SER N N -0.677 3.795 3.269 1.00 . A A . 10 SER N 1 1 4 1146 1 1 10 SER O O -2.910 6.301 1.794 1.00 . A A . 10 SER O 1 1 4 1147 1 1 10 SER OG O -0.877 7.461 3.201 1.00 . A A . 10 SER OG 1 1 4 1148 1 1 11 VAL C C -4.546 3.084 0.239 1.00 . A A . 11 VAL C 1 1 4 1149 1 1 11 VAL CA C -3.470 4.153 0.032 1.00 . A A . 11 VAL CA 1 1 4 1150 1 1 11 VAL CB C -2.731 3.968 -1.310 1.00 . A A . 11 VAL CB 1 1 4 1151 1 1 11 VAL CG1 C -3.697 3.999 -2.505 1.00 . A A . 11 VAL CG1 1 1 4 1152 1 1 11 VAL CG2 C -1.690 5.079 -1.524 1.00 . A A . 11 VAL CG2 1 1 4 1153 1 1 11 VAL H H -2.007 3.340 1.371 1.00 . A A . 11 VAL H 1 1 4 1154 1 1 11 VAL HA H -3.996 5.106 -0.022 1.00 . A A . 11 VAL HA 1 1 4 1155 1 1 11 VAL HB H -2.219 3.007 -1.308 1.00 . A A . 11 VAL HB 1 1 4 1156 1 1 11 VAL HG11 H -4.263 4.931 -2.504 1.00 . A A . 11 VAL HG11 1 1 4 1157 1 1 11 VAL HG12 H -3.140 3.921 -3.437 1.00 . A A . 11 VAL HG12 1 1 4 1158 1 1 11 VAL HG13 H -4.394 3.163 -2.449 1.00 . A A . 11 VAL HG13 1 1 4 1159 1 1 11 VAL HG21 H -1.228 4.980 -2.504 1.00 . A A . 11 VAL HG21 1 1 4 1160 1 1 11 VAL HG22 H -2.165 6.055 -1.443 1.00 . A A . 11 VAL HG22 1 1 4 1161 1 1 11 VAL HG23 H -0.902 5.011 -0.775 1.00 . A A . 11 VAL HG23 1 1 4 1162 1 1 11 VAL N N -2.522 4.186 1.158 1.00 . A A . 11 VAL N 1 1 4 1163 1 1 11 VAL O O -5.709 3.347 -0.061 1.00 . A A . 11 VAL O 1 1 4 1164 1 1 12 SER C C -4.925 -0.221 2.005 1.00 . A A . 12 SER C 1 1 4 1165 1 1 12 SER CA C -5.141 0.758 0.827 1.00 . A A . 12 SER CA 1 1 4 1166 1 1 12 SER CB C -5.123 0.037 -0.531 1.00 . A A . 12 SER CB 1 1 4 1167 1 1 12 SER H H -3.198 1.725 0.863 1.00 . A A . 12 SER H 1 1 4 1168 1 1 12 SER HA H -6.145 1.163 0.960 1.00 . A A . 12 SER HA 1 1 4 1169 1 1 12 SER HB2 H -5.319 0.757 -1.326 1.00 . A A . 12 SER HB2 1 1 4 1170 1 1 12 SER HB3 H -4.135 -0.383 -0.702 1.00 . A A . 12 SER HB3 1 1 4 1171 1 1 12 SER HG H -6.104 -1.413 0.277 1.00 . A A . 12 SER HG 1 1 4 1172 1 1 12 SER N N -4.197 1.887 0.736 1.00 . A A . 12 SER N 1 1 4 1173 1 1 12 SER O O -5.514 -1.305 2.005 1.00 . A A . 12 SER O 1 1 4 1174 1 1 12 SER OG O -6.091 -0.990 -0.598 1.00 . A A . 12 SER OG 1 1 4 1175 1 1 13 GLY C C -2.743 -1.915 3.728 1.00 . A A . 13 GLY C 1 1 4 1176 1 1 13 GLY CA C -3.731 -0.806 4.121 1.00 . A A . 13 GLY CA 1 1 4 1177 1 1 13 GLY H H -3.617 0.989 2.964 1.00 . A A . 13 GLY H 1 1 4 1178 1 1 13 GLY HA2 H -3.275 -0.208 4.910 1.00 . A A . 13 GLY HA2 1 1 4 1179 1 1 13 GLY HA3 H -4.632 -1.267 4.522 1.00 . A A . 13 GLY HA3 1 1 4 1180 1 1 13 GLY N N -4.085 0.086 2.999 1.00 . A A . 13 GLY N 1 1 4 1181 1 1 13 GLY O O -1.685 -2.026 4.338 1.00 . A A . 13 GLY O 1 1 4 1182 1 1 14 GLN C C -0.825 -3.815 2.069 1.00 . A A . 14 GLN C 1 1 4 1183 1 1 14 GLN CA C -2.217 -3.271 1.633 1.00 . A A . 14 GLN CA 1 1 4 1184 1 1 14 GLN CB C -2.186 -2.295 0.419 1.00 . A A . 14 GLN CB 1 1 4 1185 1 1 14 GLN CD C -2.104 -4.141 -1.327 1.00 . A A . 14 GLN CD 1 1 4 1186 1 1 14 GLN CG C -2.810 -2.877 -0.858 1.00 . A A . 14 GLN CG 1 1 4 1187 1 1 14 GLN H H -4.029 -2.480 2.375 1.00 . A A . 14 GLN H 1 1 4 1188 1 1 14 GLN HA H -2.754 -4.165 1.311 1.00 . A A . 14 GLN HA 1 1 4 1189 1 1 14 GLN HB2 H -2.718 -1.378 0.666 1.00 . A A . 14 GLN HB2 1 1 4 1190 1 1 14 GLN HB3 H -1.178 -1.974 0.185 1.00 . A A . 14 GLN HB3 1 1 4 1191 1 1 14 GLN HE21 H -0.344 -3.193 -1.846 1.00 . A A . 14 GLN HE21 1 1 4 1192 1 1 14 GLN HE22 H -0.460 -4.958 -1.956 1.00 . A A . 14 GLN HE22 1 1 4 1193 1 1 14 GLN HG2 H -3.860 -3.105 -0.671 1.00 . A A . 14 GLN HG2 1 1 4 1194 1 1 14 GLN HG3 H -2.758 -2.132 -1.653 1.00 . A A . 14 GLN HG3 1 1 4 1195 1 1 14 GLN N N -3.076 -2.660 2.668 1.00 . A A . 14 GLN N 1 1 4 1196 1 1 14 GLN NE2 N -0.877 -4.054 -1.786 1.00 . A A . 14 GLN NE2 1 1 4 1197 1 1 14 GLN O O -0.660 -4.378 3.153 1.00 . A A . 14 GLN O 1 1 4 1198 1 1 14 GLN OE1 O -2.629 -5.236 -1.236 1.00 . A A . 14 GLN OE1 1 1 4 1199 1 1 15 TYR C C 2.559 -3.249 1.686 1.00 . A A . 15 TYR C 1 1 4 1200 1 1 15 TYR CA C 1.509 -4.319 1.330 1.00 . A A . 15 TYR CA 1 1 4 1201 1 1 15 TYR CB C 1.922 -5.111 0.077 1.00 . A A . 15 TYR CB 1 1 4 1202 1 1 15 TYR CD1 C 0.041 -6.829 0.361 1.00 . A A . 15 TYR CD1 1 1 4 1203 1 1 15 TYR CD2 C 1.120 -6.559 -1.811 1.00 . A A . 15 TYR CD2 1 1 4 1204 1 1 15 TYR CE1 C -0.824 -7.793 -0.192 1.00 . A A . 15 TYR CE1 1 1 4 1205 1 1 15 TYR CE2 C 0.262 -7.525 -2.366 1.00 . A A . 15 TYR CE2 1 1 4 1206 1 1 15 TYR CG C 0.993 -6.186 -0.458 1.00 . A A . 15 TYR CG 1 1 4 1207 1 1 15 TYR CZ C -0.722 -8.131 -1.559 1.00 . A A . 15 TYR CZ 1 1 4 1208 1 1 15 TYR H H -0.033 -3.368 0.260 1.00 . A A . 15 TYR H 1 1 4 1209 1 1 15 TYR HA H 1.493 -5.027 2.149 1.00 . A A . 15 TYR HA 1 1 4 1210 1 1 15 TYR HB2 H 2.116 -4.401 -0.726 1.00 . A A . 15 TYR HB2 1 1 4 1211 1 1 15 TYR HB3 H 2.858 -5.608 0.312 1.00 . A A . 15 TYR HB3 1 1 4 1212 1 1 15 TYR HD1 H -0.037 -6.580 1.410 1.00 . A A . 15 TYR HD1 1 1 4 1213 1 1 15 TYR HD2 H 1.889 -6.098 -2.418 1.00 . A A . 15 TYR HD2 1 1 4 1214 1 1 15 TYR HE1 H -1.565 -8.265 0.433 1.00 . A A . 15 TYR HE1 1 1 4 1215 1 1 15 TYR HE2 H 0.341 -7.814 -3.403 1.00 . A A . 15 TYR HE2 1 1 4 1216 1 1 15 TYR HH H -2.333 -9.140 -1.535 1.00 . A A . 15 TYR HH 1 1 4 1217 1 1 15 TYR N N 0.167 -3.759 1.170 1.00 . A A . 15 TYR N 1 1 4 1218 1 1 15 TYR O O 3.663 -3.266 1.139 1.00 . A A . 15 TYR O 1 1 4 1219 1 1 15 TYR OH O -1.569 -9.043 -2.102 1.00 . A A . 15 TYR OH 1 1 4 1220 1 1 16 TRP C C 3.715 -0.297 2.179 1.00 . A A . 16 TRP C 1 1 4 1221 1 1 16 TRP CA C 3.138 -1.314 3.191 1.00 . A A . 16 TRP CA 1 1 4 1222 1 1 16 TRP CB C 4.162 -2.094 4.043 1.00 . A A . 16 TRP CB 1 1 4 1223 1 1 16 TRP CD1 C 6.531 -1.225 4.009 1.00 . A A . 16 TRP CD1 1 1 4 1224 1 1 16 TRP CD2 C 5.616 -1.134 6.059 1.00 . A A . 16 TRP CD2 1 1 4 1225 1 1 16 TRP CE2 C 6.976 -0.726 6.190 1.00 . A A . 16 TRP CE2 1 1 4 1226 1 1 16 TRP CE3 C 4.856 -1.211 7.246 1.00 . A A . 16 TRP CE3 1 1 4 1227 1 1 16 TRP CG C 5.362 -1.440 4.653 1.00 . A A . 16 TRP CG 1 1 4 1228 1 1 16 TRP CH2 C 6.754 -0.447 8.585 1.00 . A A . 16 TRP CH2 1 1 4 1229 1 1 16 TRP CZ2 C 7.548 -0.392 7.428 1.00 . A A . 16 TRP CZ2 1 1 4 1230 1 1 16 TRP CZ3 C 5.412 -0.862 8.495 1.00 . A A . 16 TRP CZ3 1 1 4 1231 1 1 16 TRP H H 1.321 -2.420 3.044 1.00 . A A . 16 TRP H 1 1 4 1232 1 1 16 TRP HA H 2.555 -0.700 3.871 1.00 . A A . 16 TRP HA 1 1 4 1233 1 1 16 TRP HB2 H 3.614 -2.582 4.849 1.00 . A A . 16 TRP HB2 1 1 4 1234 1 1 16 TRP HB3 H 4.551 -2.902 3.435 1.00 . A A . 16 TRP HB3 1 1 4 1235 1 1 16 TRP HD1 H 6.704 -1.442 2.959 1.00 . A A . 16 TRP HD1 1 1 4 1236 1 1 16 TRP HE1 H 8.455 -0.658 4.668 1.00 . A A . 16 TRP HE1 1 1 4 1237 1 1 16 TRP HE3 H 3.839 -1.574 7.182 1.00 . A A . 16 TRP HE3 1 1 4 1238 1 1 16 TRP HH2 H 7.176 -0.198 9.549 1.00 . A A . 16 TRP HH2 1 1 4 1239 1 1 16 TRP HZ2 H 8.586 -0.101 7.485 1.00 . A A . 16 TRP HZ2 1 1 4 1240 1 1 16 TRP HZ3 H 4.807 -0.931 9.388 1.00 . A A . 16 TRP HZ3 1 1 4 1241 1 1 16 TRP N N 2.233 -2.336 2.618 1.00 . A A . 16 TRP N 1 1 4 1242 1 1 16 TRP NE1 N 7.482 -0.789 4.910 1.00 . A A . 16 TRP NE1 1 1 4 1243 1 1 16 TRP O O 3.558 -0.453 0.973 1.00 . A A . 16 TRP O 1 1 4 1244 1 1 17 ASP C C 6.349 2.207 2.053 1.00 . A A . 17 ASP C 1 1 4 1245 1 1 17 ASP CA C 4.861 1.892 1.836 1.00 . A A . 17 ASP CA 1 1 4 1246 1 1 17 ASP CB C 4.151 3.224 2.160 1.00 . A A . 17 ASP CB 1 1 4 1247 1 1 17 ASP CG C 2.633 3.202 2.224 1.00 . A A . 17 ASP CG 1 1 4 1248 1 1 17 ASP H H 4.342 0.883 3.673 1.00 . A A . 17 ASP H 1 1 4 1249 1 1 17 ASP HA H 4.710 1.669 0.779 1.00 . A A . 17 ASP HA 1 1 4 1250 1 1 17 ASP HB2 H 4.517 3.574 3.130 1.00 . A A . 17 ASP HB2 1 1 4 1251 1 1 17 ASP HB3 H 4.445 3.964 1.413 1.00 . A A . 17 ASP HB3 1 1 4 1252 1 1 17 ASP N N 4.345 0.782 2.672 1.00 . A A . 17 ASP N 1 1 4 1253 1 1 17 ASP O O 6.977 2.877 1.240 1.00 . A A . 17 ASP O 1 1 4 1254 1 1 17 ASP OD1 O 1.980 2.599 1.346 1.00 . A A . 17 ASP OD1 1 1 4 1255 1 1 17 ASP OD2 O 2.109 3.783 3.197 1.00 . A A . 17 ASP OD2 1 1 4 1256 1 1 18 GLN C C 9.215 2.810 3.651 1.00 . A A . 18 GLN C 1 1 4 1257 1 1 18 GLN CA C 7.707 2.830 3.983 1.00 . A A . 18 GLN CA 1 1 4 1258 1 1 18 GLN CB C 7.366 2.673 5.481 1.00 . A A . 18 GLN CB 1 1 4 1259 1 1 18 GLN CD C 8.796 4.496 6.562 1.00 . A A . 18 GLN CD 1 1 4 1260 1 1 18 GLN CG C 7.387 4.003 6.252 1.00 . A A . 18 GLN CG 1 1 4 1261 1 1 18 GLN H H 6.367 1.205 3.772 1.00 . A A . 18 GLN H 1 1 4 1262 1 1 18 GLN HA H 7.371 3.825 3.681 1.00 . A A . 18 GLN HA 1 1 4 1263 1 1 18 GLN HB2 H 6.352 2.277 5.575 1.00 . A A . 18 GLN HB2 1 1 4 1264 1 1 18 GLN HB3 H 8.039 1.956 5.949 1.00 . A A . 18 GLN HB3 1 1 4 1265 1 1 18 GLN HE21 H 8.935 3.343 8.216 1.00 . A A . 18 GLN HE21 1 1 4 1266 1 1 18 GLN HE22 H 10.339 4.314 7.761 1.00 . A A . 18 GLN HE22 1 1 4 1267 1 1 18 GLN HG2 H 6.846 4.762 5.685 1.00 . A A . 18 GLN HG2 1 1 4 1268 1 1 18 GLN HG3 H 6.854 3.859 7.194 1.00 . A A . 18 GLN HG3 1 1 4 1269 1 1 18 GLN N N 6.895 1.868 3.224 1.00 . A A . 18 GLN N 1 1 4 1270 1 1 18 GLN NE2 N 9.386 4.030 7.642 1.00 . A A . 18 GLN NE2 1 1 4 1271 1 1 18 GLN O O 10.063 2.721 4.536 1.00 . A A . 18 GLN O 1 1 4 1272 1 1 18 GLN OE1 O 9.390 5.301 5.857 1.00 . A A . 18 GLN OE1 1 1 4 1273 1 1 19 HIS C C 12.097 2.867 2.489 1.00 . A A . 19 HIS C 1 1 4 1274 1 1 19 HIS CA C 10.810 3.366 1.770 1.00 . A A . 19 HIS CA 1 1 4 1275 1 1 19 HIS CB C 10.703 4.872 1.415 1.00 . A A . 19 HIS CB 1 1 4 1276 1 1 19 HIS CD2 C 12.477 6.544 2.075 1.00 . A A . 19 HIS CD2 1 1 4 1277 1 1 19 HIS CE1 C 12.195 6.589 4.264 1.00 . A A . 19 HIS CE1 1 1 4 1278 1 1 19 HIS CG C 11.357 5.827 2.379 1.00 . A A . 19 HIS CG 1 1 4 1279 1 1 19 HIS H H 8.740 2.950 1.727 1.00 . A A . 19 HIS H 1 1 4 1280 1 1 19 HIS HA H 10.852 2.869 0.799 1.00 . A A . 19 HIS HA 1 1 4 1281 1 1 19 HIS HB2 H 11.164 5.020 0.437 1.00 . A A . 19 HIS HB2 1 1 4 1282 1 1 19 HIS HB3 H 9.658 5.159 1.285 1.00 . A A . 19 HIS HB3 1 1 4 1283 1 1 19 HIS HD1 H 10.456 5.386 4.285 1.00 . A A . 19 HIS HD1 1 1 4 1284 1 1 19 HIS HD2 H 12.947 6.608 1.102 1.00 . A A . 19 HIS HD2 1 1 4 1285 1 1 19 HIS HE1 H 12.379 6.707 5.323 1.00 . A A . 19 HIS HE1 1 1 4 1286 1 1 19 HIS HE2 H 13.938 7.387 3.311 1.00 . A A . 19 HIS HE2 1 1 4 1287 1 1 19 HIS N N 9.535 2.945 2.364 1.00 . A A . 19 HIS N 1 1 4 1288 1 1 19 HIS ND1 N 11.164 5.889 3.746 1.00 . A A . 19 HIS ND1 1 1 4 1289 1 1 19 HIS NE2 N 13.006 6.992 3.261 1.00 . A A . 19 HIS NE2 1 1 4 1290 1 1 19 HIS O O 12.937 3.602 3.000 1.00 . A A . 19 HIS O 1 1 4 1291 1 1 20 ALA C C 13.828 0.611 0.926 1.00 . A A . 20 ALA C 1 1 4 1292 1 1 20 ALA CA C 13.547 0.881 2.425 1.00 . A A . 20 ALA CA 1 1 4 1293 1 1 20 ALA CB C 13.452 -0.420 3.237 1.00 . A A . 20 ALA CB 1 1 4 1294 1 1 20 ALA H H 11.469 1.061 2.102 1.00 . A A . 20 ALA H 1 1 4 1295 1 1 20 ALA HA H 14.334 1.519 2.829 1.00 . A A . 20 ALA HA 1 1 4 1296 1 1 20 ALA HB1 H 13.235 -0.182 4.280 1.00 . A A . 20 ALA HB1 1 1 4 1297 1 1 20 ALA HB2 H 12.657 -1.049 2.832 1.00 . A A . 20 ALA HB2 1 1 4 1298 1 1 20 ALA HB3 H 14.388 -0.973 3.199 1.00 . A A . 20 ALA HB3 1 1 4 1299 1 1 20 ALA N N 12.241 1.544 2.531 1.00 . A A . 20 ALA N 1 1 4 1300 1 1 20 ALA O O 12.871 0.693 0.160 1.00 . A A . 20 ALA O 1 1 4 1301 1 1 21 PRO C C 14.704 -1.471 -1.419 1.00 . A A . 21 PRO C 1 1 4 1302 1 1 21 PRO CA C 15.334 -0.141 -0.926 1.00 . A A . 21 PRO CA 1 1 4 1303 1 1 21 PRO CB C 16.862 -0.105 -1.020 1.00 . A A . 21 PRO CB 1 1 4 1304 1 1 21 PRO CD C 16.263 0.149 1.265 1.00 . A A . 21 PRO CD 1 1 4 1305 1 1 21 PRO CG C 17.298 -0.540 0.375 1.00 . A A . 21 PRO CG 1 1 4 1306 1 1 21 PRO HA H 14.944 0.651 -1.567 1.00 . A A . 21 PRO HA 1 1 4 1307 1 1 21 PRO HB2 H 17.261 -0.750 -1.802 1.00 . A A . 21 PRO HB2 1 1 4 1308 1 1 21 PRO HB3 H 17.184 0.924 -1.191 1.00 . A A . 21 PRO HB3 1 1 4 1309 1 1 21 PRO HD2 H 16.148 -0.400 2.196 1.00 . A A . 21 PRO HD2 1 1 4 1310 1 1 21 PRO HD3 H 16.585 1.170 1.471 1.00 . A A . 21 PRO HD3 1 1 4 1311 1 1 21 PRO HG2 H 17.212 -1.623 0.476 1.00 . A A . 21 PRO HG2 1 1 4 1312 1 1 21 PRO HG3 H 18.311 -0.210 0.601 1.00 . A A . 21 PRO HG3 1 1 4 1313 1 1 21 PRO N N 15.035 0.190 0.485 1.00 . A A . 21 PRO N 1 1 4 1314 1 1 21 PRO O O 15.344 -2.343 -2.000 1.00 . A A . 21 PRO O 1 1 4 1315 1 1 22 LEU C C 11.093 -1.807 -1.922 1.00 . A A . 22 LEU C 1 1 4 1316 1 1 22 LEU CA C 12.413 -2.573 -1.620 1.00 . A A . 22 LEU CA 1 1 4 1317 1 1 22 LEU CB C 12.164 -3.699 -0.587 1.00 . A A . 22 LEU CB 1 1 4 1318 1 1 22 LEU CD1 C 13.952 -3.808 1.250 1.00 . A A . 22 LEU CD1 1 1 4 1319 1 1 22 LEU CD2 C 13.009 -5.876 0.345 1.00 . A A . 22 LEU CD2 1 1 4 1320 1 1 22 LEU CG C 13.401 -4.445 -0.034 1.00 . A A . 22 LEU CG 1 1 4 1321 1 1 22 LEU H H 13.045 -0.831 -0.633 1.00 . A A . 22 LEU H 1 1 4 1322 1 1 22 LEU HA H 12.769 -3.014 -2.553 1.00 . A A . 22 LEU HA 1 1 4 1323 1 1 22 LEU HB2 H 11.592 -3.298 0.251 1.00 . A A . 22 LEU HB2 1 1 4 1324 1 1 22 LEU HB3 H 11.523 -4.425 -1.087 1.00 . A A . 22 LEU HB3 1 1 4 1325 1 1 22 LEU HD11 H 14.295 -2.797 1.053 1.00 . A A . 22 LEU HD11 1 1 4 1326 1 1 22 LEU HD12 H 14.803 -4.385 1.610 1.00 . A A . 22 LEU HD12 1 1 4 1327 1 1 22 LEU HD13 H 13.180 -3.781 2.018 1.00 . A A . 22 LEU HD13 1 1 4 1328 1 1 22 LEU HD21 H 13.874 -6.406 0.742 1.00 . A A . 22 LEU HD21 1 1 4 1329 1 1 22 LEU HD22 H 12.667 -6.404 -0.544 1.00 . A A . 22 LEU HD22 1 1 4 1330 1 1 22 LEU HD23 H 12.215 -5.866 1.092 1.00 . A A . 22 LEU HD23 1 1 4 1331 1 1 22 LEU HG H 14.182 -4.496 -0.792 1.00 . A A . 22 LEU HG 1 1 4 1332 1 1 22 LEU N N 13.416 -1.631 -1.123 1.00 . A A . 22 LEU N 1 1 4 1333 1 1 22 LEU O O 10.037 -2.420 -2.075 1.00 . A A . 22 LEU O 1 1 4 1334 1 1 23 ALA C C 10.639 1.986 -1.904 1.00 . A A . 23 ALA C 1 1 4 1335 1 1 23 ALA CA C 10.102 0.531 -1.735 1.00 . A A . 23 ALA CA 1 1 4 1336 1 1 23 ALA CB C 9.518 0.359 -0.322 1.00 . A A . 23 ALA CB 1 1 4 1337 1 1 23 ALA H H 12.083 -0.073 -1.743 1.00 . A A . 23 ALA H 1 1 4 1338 1 1 23 ALA HA H 9.325 0.353 -2.479 1.00 . A A . 23 ALA HA 1 1 4 1339 1 1 23 ALA HB1 H 9.198 -0.669 -0.170 1.00 . A A . 23 ALA HB1 1 1 4 1340 1 1 23 ALA HB2 H 10.273 0.596 0.423 1.00 . A A . 23 ALA HB2 1 1 4 1341 1 1 23 ALA HB3 H 8.669 1.031 -0.193 1.00 . A A . 23 ALA HB3 1 1 4 1342 1 1 23 ALA N N 11.164 -0.468 -1.880 1.00 . A A . 23 ALA N 1 1 4 1343 1 1 23 ALA O O 9.938 2.930 -1.541 1.00 . A A . 23 ALA O 1 1 4 1344 1 1 24 ASP C C 13.837 3.107 -3.496 1.00 . A A . 24 ASP C 1 1 4 1345 1 1 24 ASP CA C 12.740 3.367 -2.442 1.00 . A A . 24 ASP CA 1 1 4 1346 1 1 24 ASP CB C 13.408 3.667 -1.070 1.00 . A A . 24 ASP CB 1 1 4 1347 1 1 24 ASP CG C 13.767 5.136 -0.771 1.00 . A A . 24 ASP CG 1 1 4 1348 1 1 24 ASP H H 12.394 1.384 -2.772 1.00 . A A . 24 ASP H 1 1 4 1349 1 1 24 ASP HA H 12.139 4.222 -2.757 1.00 . A A . 24 ASP HA 1 1 4 1350 1 1 24 ASP HB2 H 12.739 3.350 -0.276 1.00 . A A . 24 ASP HB2 1 1 4 1351 1 1 24 ASP HB3 H 14.309 3.058 -0.972 1.00 . A A . 24 ASP HB3 1 1 4 1352 1 1 24 ASP N N 11.893 2.153 -2.347 1.00 . A A . 24 ASP N 1 1 4 1353 1 1 24 ASP O O 14.243 4.053 -4.205 1.00 . A A . 24 ASP O 1 1 4 1354 1 1 24 ASP OXT O 14.221 1.912 -3.596 1.00 . A A . 24 ASP OXT 1 1 4 1355 1 1 24 ASP OD1 O 12.998 6.052 -1.144 1.00 . A A . 24 ASP OD1 1 1 4 1356 1 1 24 ASP OD2 O 14.691 5.345 0.056 1.00 . A A . 24 ASP OD2 1 1 5 1357 1 1 1 GLY C C 2.654 0.558 -2.724 1.00 . A A . 1 GLY C 1 1 5 1358 1 1 1 GLY CA C 2.049 1.666 -1.847 1.00 . A A . 1 GLY CA 1 1 5 1359 1 1 1 GLY H1 H 2.077 0.609 -0.012 1.00 . A A . 1 GLY H1 1 1 5 1360 1 1 1 GLY HA2 H 1.287 2.199 -2.415 1.00 . A A . 1 GLY HA2 1 1 5 1361 1 1 1 GLY HA3 H 2.858 2.352 -1.623 1.00 . A A . 1 GLY HA3 1 1 5 1362 1 1 1 GLY N N 1.478 1.189 -0.575 1.00 . A A . 1 GLY N 1 1 5 1363 1 1 1 GLY O O 2.566 -0.608 -2.374 1.00 . A A . 1 GLY O 1 1 5 1364 1 1 2 PRO C C 4.977 -0.911 -4.490 1.00 . A A . 2 PRO C 1 1 5 1365 1 1 2 PRO CA C 3.652 -0.189 -4.858 1.00 . A A . 2 PRO CA 1 1 5 1366 1 1 2 PRO CB C 3.697 0.561 -6.198 1.00 . A A . 2 PRO CB 1 1 5 1367 1 1 2 PRO CD C 3.422 2.175 -4.460 1.00 . A A . 2 PRO CD 1 1 5 1368 1 1 2 PRO CG C 4.145 1.967 -5.793 1.00 . A A . 2 PRO CG 1 1 5 1369 1 1 2 PRO HA H 2.876 -0.955 -4.923 1.00 . A A . 2 PRO HA 1 1 5 1370 1 1 2 PRO HB2 H 4.368 0.101 -6.926 1.00 . A A . 2 PRO HB2 1 1 5 1371 1 1 2 PRO HB3 H 2.686 0.616 -6.608 1.00 . A A . 2 PRO HB3 1 1 5 1372 1 1 2 PRO HD2 H 4.015 2.809 -3.798 1.00 . A A . 2 PRO HD2 1 1 5 1373 1 1 2 PRO HD3 H 2.447 2.629 -4.643 1.00 . A A . 2 PRO HD3 1 1 5 1374 1 1 2 PRO HG2 H 5.227 1.981 -5.643 1.00 . A A . 2 PRO HG2 1 1 5 1375 1 1 2 PRO HG3 H 3.848 2.712 -6.532 1.00 . A A . 2 PRO HG3 1 1 5 1376 1 1 2 PRO N N 3.240 0.846 -3.898 1.00 . A A . 2 PRO N 1 1 5 1377 1 1 2 PRO O O 5.968 -0.795 -5.208 1.00 . A A . 2 PRO O 1 1 5 1378 1 1 3 THR C C 5.583 -3.843 -2.302 1.00 . A A . 3 THR C 1 1 5 1379 1 1 3 THR CA C 6.119 -2.513 -2.904 1.00 . A A . 3 THR CA 1 1 5 1380 1 1 3 THR CB C 6.965 -1.611 -1.971 1.00 . A A . 3 THR CB 1 1 5 1381 1 1 3 THR CG2 C 7.295 -2.053 -0.552 1.00 . A A . 3 THR CG2 1 1 5 1382 1 1 3 THR H H 4.145 -1.714 -2.830 1.00 . A A . 3 THR H 1 1 5 1383 1 1 3 THR HA H 6.740 -2.788 -3.757 1.00 . A A . 3 THR HA 1 1 5 1384 1 1 3 THR HB H 6.469 -0.643 -1.889 1.00 . A A . 3 THR HB 1 1 5 1385 1 1 3 THR HG1 H 8.652 -0.698 -2.074 1.00 . A A . 3 THR HG1 1 1 5 1386 1 1 3 THR HG21 H 6.445 -2.562 -0.109 1.00 . A A . 3 THR HG21 1 1 5 1387 1 1 3 THR HG22 H 7.526 -1.168 0.034 1.00 . A A . 3 THR HG22 1 1 5 1388 1 1 3 THR HG23 H 8.169 -2.692 -0.543 1.00 . A A . 3 THR HG23 1 1 5 1389 1 1 3 THR N N 4.988 -1.691 -3.402 1.00 . A A . 3 THR N 1 1 5 1390 1 1 3 THR O O 4.383 -4.084 -2.424 1.00 . A A . 3 THR O 1 1 5 1391 1 1 3 THR OG1 O 8.216 -1.391 -2.576 1.00 . A A . 3 THR OG1 1 1 5 1392 1 1 4 PRO C C 5.612 -6.106 0.339 1.00 . A A . 4 PRO C 1 1 5 1393 1 1 4 PRO CA C 5.882 -6.050 -1.192 1.00 . A A . 4 PRO CA 1 1 5 1394 1 1 4 PRO CB C 6.888 -7.131 -1.615 1.00 . A A . 4 PRO CB 1 1 5 1395 1 1 4 PRO CD C 7.768 -5.001 -2.249 1.00 . A A . 4 PRO CD 1 1 5 1396 1 1 4 PRO CG C 8.206 -6.373 -1.732 1.00 . A A . 4 PRO CG 1 1 5 1397 1 1 4 PRO HA H 4.933 -6.307 -1.664 1.00 . A A . 4 PRO HA 1 1 5 1398 1 1 4 PRO HB2 H 6.961 -7.951 -0.897 1.00 . A A . 4 PRO HB2 1 1 5 1399 1 1 4 PRO HB3 H 6.607 -7.523 -2.595 1.00 . A A . 4 PRO HB3 1 1 5 1400 1 1 4 PRO HD2 H 8.461 -4.235 -1.906 1.00 . A A . 4 PRO HD2 1 1 5 1401 1 1 4 PRO HD3 H 7.767 -5.023 -3.340 1.00 . A A . 4 PRO HD3 1 1 5 1402 1 1 4 PRO HG2 H 8.663 -6.288 -0.747 1.00 . A A . 4 PRO HG2 1 1 5 1403 1 1 4 PRO HG3 H 8.890 -6.864 -2.426 1.00 . A A . 4 PRO HG3 1 1 5 1404 1 1 4 PRO N N 6.400 -4.792 -1.779 1.00 . A A . 4 PRO N 1 1 5 1405 1 1 4 PRO O O 5.072 -7.113 0.791 1.00 . A A . 4 PRO O 1 1 5 1406 1 1 5 MET C C 4.389 -4.693 3.113 1.00 . A A . 5 MET C 1 1 5 1407 1 1 5 MET CA C 5.785 -5.155 2.638 1.00 . A A . 5 MET CA 1 1 5 1408 1 1 5 MET CB C 6.891 -4.329 3.334 1.00 . A A . 5 MET CB 1 1 5 1409 1 1 5 MET CE C 9.342 -4.548 1.226 1.00 . A A . 5 MET CE 1 1 5 1410 1 1 5 MET CG C 8.142 -5.152 3.690 1.00 . A A . 5 MET CG 1 1 5 1411 1 1 5 MET H H 6.302 -4.253 0.744 1.00 . A A . 5 MET H 1 1 5 1412 1 1 5 MET HA H 5.889 -6.193 2.962 1.00 . A A . 5 MET HA 1 1 5 1413 1 1 5 MET HB2 H 7.179 -3.484 2.708 1.00 . A A . 5 MET HB2 1 1 5 1414 1 1 5 MET HB3 H 6.508 -3.920 4.271 1.00 . A A . 5 MET HB3 1 1 5 1415 1 1 5 MET HE1 H 10.173 -4.773 0.557 1.00 . A A . 5 MET HE1 1 1 5 1416 1 1 5 MET HE2 H 8.446 -4.385 0.637 1.00 . A A . 5 MET HE2 1 1 5 1417 1 1 5 MET HE3 H 9.562 -3.653 1.804 1.00 . A A . 5 MET HE3 1 1 5 1418 1 1 5 MET HG2 H 8.840 -4.498 4.214 1.00 . A A . 5 MET HG2 1 1 5 1419 1 1 5 MET HG3 H 7.857 -5.932 4.400 1.00 . A A . 5 MET HG3 1 1 5 1420 1 1 5 MET N N 5.954 -5.100 1.160 1.00 . A A . 5 MET N 1 1 5 1421 1 1 5 MET O O 3.697 -3.961 2.414 1.00 . A A . 5 MET O 1 1 5 1422 1 1 5 MET SD S 9.051 -5.946 2.330 1.00 . A A . 5 MET SD 1 1 5 1423 1 1 6 VAL C C 2.522 -3.549 5.747 1.00 . A A . 6 VAL C 1 1 5 1424 1 1 6 VAL CA C 2.586 -4.759 4.806 1.00 . A A . 6 VAL CA 1 1 5 1425 1 1 6 VAL CB C 1.914 -6.019 5.391 1.00 . A A . 6 VAL CB 1 1 5 1426 1 1 6 VAL CG1 C 2.537 -6.499 6.707 1.00 . A A . 6 VAL CG1 1 1 5 1427 1 1 6 VAL CG2 C 0.406 -5.808 5.588 1.00 . A A . 6 VAL CG2 1 1 5 1428 1 1 6 VAL H H 4.571 -5.587 4.927 1.00 . A A . 6 VAL H 1 1 5 1429 1 1 6 VAL HA H 1.992 -4.494 3.935 1.00 . A A . 6 VAL HA 1 1 5 1430 1 1 6 VAL HB H 2.024 -6.822 4.663 1.00 . A A . 6 VAL HB 1 1 5 1431 1 1 6 VAL HG11 H 2.072 -7.432 7.021 1.00 . A A . 6 VAL HG11 1 1 5 1432 1 1 6 VAL HG12 H 3.605 -6.676 6.578 1.00 . A A . 6 VAL HG12 1 1 5 1433 1 1 6 VAL HG13 H 2.393 -5.757 7.490 1.00 . A A . 6 VAL HG13 1 1 5 1434 1 1 6 VAL HG21 H 0.225 -5.075 6.374 1.00 . A A . 6 VAL HG21 1 1 5 1435 1 1 6 VAL HG22 H -0.052 -5.470 4.658 1.00 . A A . 6 VAL HG22 1 1 5 1436 1 1 6 VAL HG23 H -0.058 -6.750 5.879 1.00 . A A . 6 VAL HG23 1 1 5 1437 1 1 6 VAL N N 3.955 -5.056 4.327 1.00 . A A . 6 VAL N 1 1 5 1438 1 1 6 VAL O O 3.351 -3.385 6.637 1.00 . A A . 6 VAL O 1 1 5 1439 1 1 7 GLY C C 1.774 -0.208 5.509 1.00 . A A . 7 GLY C 1 1 5 1440 1 1 7 GLY CA C 1.335 -1.436 6.317 1.00 . A A . 7 GLY CA 1 1 5 1441 1 1 7 GLY H H 0.887 -2.860 4.794 1.00 . A A . 7 GLY H 1 1 5 1442 1 1 7 GLY HA2 H 0.283 -1.320 6.577 1.00 . A A . 7 GLY HA2 1 1 5 1443 1 1 7 GLY HA3 H 1.909 -1.473 7.245 1.00 . A A . 7 GLY HA3 1 1 5 1444 1 1 7 GLY N N 1.507 -2.693 5.572 1.00 . A A . 7 GLY N 1 1 5 1445 1 1 7 GLY O O 2.111 -0.338 4.334 1.00 . A A . 7 GLY O 1 1 5 1446 1 1 8 LEU C C 1.357 2.877 4.450 1.00 . A A . 8 LEU C 1 1 5 1447 1 1 8 LEU CA C 2.176 2.312 5.626 1.00 . A A . 8 LEU CA 1 1 5 1448 1 1 8 LEU CB C 3.686 2.317 5.287 1.00 . A A . 8 LEU CB 1 1 5 1449 1 1 8 LEU CD1 C 4.062 4.868 5.234 1.00 . A A . 8 LEU CD1 1 1 5 1450 1 1 8 LEU CD2 C 4.590 3.567 7.312 1.00 . A A . 8 LEU CD2 1 1 5 1451 1 1 8 LEU CG C 4.506 3.516 5.784 1.00 . A A . 8 LEU CG 1 1 5 1452 1 1 8 LEU H H 1.423 0.963 7.085 1.00 . A A . 8 LEU H 1 1 5 1453 1 1 8 LEU HA H 2.008 3.010 6.445 1.00 . A A . 8 LEU HA 1 1 5 1454 1 1 8 LEU HB2 H 4.153 1.428 5.703 1.00 . A A . 8 LEU HB2 1 1 5 1455 1 1 8 LEU HB3 H 3.812 2.259 4.205 1.00 . A A . 8 LEU HB3 1 1 5 1456 1 1 8 LEU HD11 H 4.011 4.825 4.145 1.00 . A A . 8 LEU HD11 1 1 5 1457 1 1 8 LEU HD12 H 4.777 5.635 5.522 1.00 . A A . 8 LEU HD12 1 1 5 1458 1 1 8 LEU HD13 H 3.081 5.138 5.623 1.00 . A A . 8 LEU HD13 1 1 5 1459 1 1 8 LEU HD21 H 3.602 3.736 7.741 1.00 . A A . 8 LEU HD21 1 1 5 1460 1 1 8 LEU HD22 H 5.256 4.374 7.617 1.00 . A A . 8 LEU HD22 1 1 5 1461 1 1 8 LEU HD23 H 4.985 2.619 7.683 1.00 . A A . 8 LEU HD23 1 1 5 1462 1 1 8 LEU HG H 5.513 3.364 5.417 1.00 . A A . 8 LEU HG 1 1 5 1463 1 1 8 LEU N N 1.766 0.980 6.136 1.00 . A A . 8 LEU N 1 1 5 1464 1 1 8 LEU O O 1.049 4.064 4.429 1.00 . A A . 8 LEU O 1 1 5 1465 1 1 9 ASP C C -1.232 2.785 2.858 1.00 . A A . 9 ASP C 1 1 5 1466 1 1 9 ASP CA C 0.152 2.345 2.348 1.00 . A A . 9 ASP CA 1 1 5 1467 1 1 9 ASP CB C 0.105 1.121 1.409 1.00 . A A . 9 ASP CB 1 1 5 1468 1 1 9 ASP CG C 0.270 1.488 -0.075 1.00 . A A . 9 ASP CG 1 1 5 1469 1 1 9 ASP H H 1.291 1.073 3.602 1.00 . A A . 9 ASP H 1 1 5 1470 1 1 9 ASP HA H 0.598 3.183 1.829 1.00 . A A . 9 ASP HA 1 1 5 1471 1 1 9 ASP HB2 H 0.895 0.426 1.685 1.00 . A A . 9 ASP HB2 1 1 5 1472 1 1 9 ASP HB3 H -0.824 0.569 1.565 1.00 . A A . 9 ASP HB3 1 1 5 1473 1 1 9 ASP N N 1.026 2.039 3.473 1.00 . A A . 9 ASP N 1 1 5 1474 1 1 9 ASP O O -1.886 2.040 3.582 1.00 . A A . 9 ASP O 1 1 5 1475 1 1 9 ASP OD1 O -0.746 1.201 -0.754 1.00 . A A . 9 ASP OD1 1 1 5 1476 1 1 10 SER C C -3.891 4.183 3.800 1.00 . A A . 10 SER C 1 1 5 1477 1 1 10 SER CA C -2.605 4.861 3.272 1.00 . A A . 10 SER CA 1 1 5 1478 1 1 10 SER CB C -2.947 6.055 2.376 1.00 . A A . 10 SER CB 1 1 5 1479 1 1 10 SER H H -0.995 4.514 1.923 1.00 . A A . 10 SER H 1 1 5 1480 1 1 10 SER HA H -2.086 5.253 4.147 1.00 . A A . 10 SER HA 1 1 5 1481 1 1 10 SER HB2 H -2.018 6.504 2.016 1.00 . A A . 10 SER HB2 1 1 5 1482 1 1 10 SER HB3 H -3.519 5.707 1.515 1.00 . A A . 10 SER HB3 1 1 5 1483 1 1 10 SER HG H -3.897 7.753 2.465 1.00 . A A . 10 SER HG 1 1 5 1484 1 1 10 SER N N -1.640 4.017 2.528 1.00 . A A . 10 SER N 1 1 5 1485 1 1 10 SER O O -4.380 4.530 4.874 1.00 . A A . 10 SER O 1 1 5 1486 1 1 10 SER OG O -3.686 7.039 3.069 1.00 . A A . 10 SER OG 1 1 5 1487 1 1 11 VAL C C -4.962 0.817 3.013 1.00 . A A . 11 VAL C 1 1 5 1488 1 1 11 VAL CA C -5.364 2.174 3.581 1.00 . A A . 11 VAL CA 1 1 5 1489 1 1 11 VAL CB C -6.833 2.496 3.223 1.00 . A A . 11 VAL CB 1 1 5 1490 1 1 11 VAL CG1 C -7.791 1.419 3.757 1.00 . A A . 11 VAL CG1 1 1 5 1491 1 1 11 VAL CG2 C -7.292 3.835 3.807 1.00 . A A . 11 VAL CG2 1 1 5 1492 1 1 11 VAL H H -3.801 2.910 2.323 1.00 . A A . 11 VAL H 1 1 5 1493 1 1 11 VAL HA H -5.279 2.112 4.666 1.00 . A A . 11 VAL HA 1 1 5 1494 1 1 11 VAL HB H -6.936 2.545 2.137 1.00 . A A . 11 VAL HB 1 1 5 1495 1 1 11 VAL HG11 H -8.819 1.670 3.493 1.00 . A A . 11 VAL HG11 1 1 5 1496 1 1 11 VAL HG12 H -7.561 0.447 3.319 1.00 . A A . 11 VAL HG12 1 1 5 1497 1 1 11 VAL HG13 H -7.703 1.349 4.842 1.00 . A A . 11 VAL HG13 1 1 5 1498 1 1 11 VAL HG21 H -8.343 4.006 3.576 1.00 . A A . 11 VAL HG21 1 1 5 1499 1 1 11 VAL HG22 H -7.149 3.833 4.888 1.00 . A A . 11 VAL HG22 1 1 5 1500 1 1 11 VAL HG23 H -6.710 4.649 3.377 1.00 . A A . 11 VAL HG23 1 1 5 1501 1 1 11 VAL N N -4.410 3.184 3.078 1.00 . A A . 11 VAL N 1 1 5 1502 1 1 11 VAL O O -4.692 -0.123 3.754 1.00 . A A . 11 VAL O 1 1 5 1503 1 1 12 SER C C -4.592 0.043 -0.633 1.00 . A A . 12 SER C 1 1 5 1504 1 1 12 SER CA C -4.488 -0.380 0.839 1.00 . A A . 12 SER CA 1 1 5 1505 1 1 12 SER CB C -5.312 -1.662 1.070 1.00 . A A . 12 SER CB 1 1 5 1506 1 1 12 SER H H -5.270 1.548 1.184 1.00 . A A . 12 SER H 1 1 5 1507 1 1 12 SER HA H -3.442 -0.595 1.058 1.00 . A A . 12 SER HA 1 1 5 1508 1 1 12 SER HB2 H -6.375 -1.419 1.068 1.00 . A A . 12 SER HB2 1 1 5 1509 1 1 12 SER HB3 H -5.120 -2.369 0.263 1.00 . A A . 12 SER HB3 1 1 5 1510 1 1 12 SER HG H -4.829 -1.596 2.954 1.00 . A A . 12 SER HG 1 1 5 1511 1 1 12 SER N N -4.953 0.730 1.680 1.00 . A A . 12 SER N 1 1 5 1512 1 1 12 SER O O -5.658 -0.075 -1.234 1.00 . A A . 12 SER O 1 1 5 1513 1 1 12 SER OG O -4.972 -2.295 2.288 1.00 . A A . 12 SER OG 1 1 5 1514 1 1 13 GLY C C -2.568 -0.492 -3.189 1.00 . A A . 13 GLY C 1 1 5 1515 1 1 13 GLY CA C -3.325 0.721 -2.654 1.00 . A A . 13 GLY CA 1 1 5 1516 1 1 13 GLY H H -2.672 0.743 -0.650 1.00 . A A . 13 GLY H 1 1 5 1517 1 1 13 GLY HA2 H -4.280 0.804 -3.175 1.00 . A A . 13 GLY HA2 1 1 5 1518 1 1 13 GLY HA3 H -2.726 1.604 -2.872 1.00 . A A . 13 GLY HA3 1 1 5 1519 1 1 13 GLY N N -3.515 0.596 -1.201 1.00 . A A . 13 GLY N 1 1 5 1520 1 1 13 GLY O O -2.961 -1.086 -4.188 1.00 . A A . 13 GLY O 1 1 5 1521 1 1 14 GLN C C -0.317 -2.444 -1.058 1.00 . A A . 14 GLN C 1 1 5 1522 1 1 14 GLN CA C -0.819 -2.157 -2.495 1.00 . A A . 14 GLN CA 1 1 5 1523 1 1 14 GLN CB C 0.300 -2.131 -3.571 1.00 . A A . 14 GLN CB 1 1 5 1524 1 1 14 GLN CD C -0.036 -4.272 -4.949 1.00 . A A . 14 GLN CD 1 1 5 1525 1 1 14 GLN CG C -0.045 -2.746 -4.939 1.00 . A A . 14 GLN CG 1 1 5 1526 1 1 14 GLN H H -1.237 -0.220 -1.742 1.00 . A A . 14 GLN H 1 1 5 1527 1 1 14 GLN HA H -1.530 -2.946 -2.749 1.00 . A A . 14 GLN HA 1 1 5 1528 1 1 14 GLN HB2 H 0.574 -1.093 -3.755 1.00 . A A . 14 GLN HB2 1 1 5 1529 1 1 14 GLN HB3 H 1.192 -2.639 -3.204 1.00 . A A . 14 GLN HB3 1 1 5 1530 1 1 14 GLN HE21 H 1.841 -4.451 -4.147 1.00 . A A . 14 GLN HE21 1 1 5 1531 1 1 14 GLN HE22 H 0.919 -5.912 -4.555 1.00 . A A . 14 GLN HE22 1 1 5 1532 1 1 14 GLN HG2 H -1.017 -2.391 -5.279 1.00 . A A . 14 GLN HG2 1 1 5 1533 1 1 14 GLN HG3 H 0.700 -2.413 -5.665 1.00 . A A . 14 GLN HG3 1 1 5 1534 1 1 14 GLN N N -1.507 -0.869 -2.477 1.00 . A A . 14 GLN N 1 1 5 1535 1 1 14 GLN NE2 N 1.034 -4.915 -4.534 1.00 . A A . 14 GLN NE2 1 1 5 1536 1 1 14 GLN O O -1.055 -2.994 -0.247 1.00 . A A . 14 GLN O 1 1 5 1537 1 1 14 GLN OE1 O -0.973 -4.928 -5.369 1.00 . A A . 14 GLN OE1 1 1 5 1538 1 1 15 TYR C C 3.068 -1.721 0.482 1.00 . A A . 15 TYR C 1 1 5 1539 1 1 15 TYR CA C 1.809 -2.610 0.268 1.00 . A A . 15 TYR CA 1 1 5 1540 1 1 15 TYR CB C 2.212 -4.003 -0.261 1.00 . A A . 15 TYR CB 1 1 5 1541 1 1 15 TYR CD1 C 0.673 -5.392 1.230 1.00 . A A . 15 TYR CD1 1 1 5 1542 1 1 15 TYR CD2 C 0.965 -6.028 -1.100 1.00 . A A . 15 TYR CD2 1 1 5 1543 1 1 15 TYR CE1 C -0.228 -6.462 1.410 1.00 . A A . 15 TYR CE1 1 1 5 1544 1 1 15 TYR CE2 C 0.071 -7.100 -0.930 1.00 . A A . 15 TYR CE2 1 1 5 1545 1 1 15 TYR CG C 1.254 -5.159 -0.030 1.00 . A A . 15 TYR CG 1 1 5 1546 1 1 15 TYR CZ C -0.536 -7.310 0.324 1.00 . A A . 15 TYR CZ 1 1 5 1547 1 1 15 TYR H H 1.388 -1.505 -1.453 1.00 . A A . 15 TYR H 1 1 5 1548 1 1 15 TYR HA H 1.289 -2.712 1.217 1.00 . A A . 15 TYR HA 1 1 5 1549 1 1 15 TYR HB2 H 2.323 -3.903 -1.334 1.00 . A A . 15 TYR HB2 1 1 5 1550 1 1 15 TYR HB3 H 3.186 -4.294 0.119 1.00 . A A . 15 TYR HB3 1 1 5 1551 1 1 15 TYR HD1 H 0.912 -4.741 2.053 1.00 . A A . 15 TYR HD1 1 1 5 1552 1 1 15 TYR HD2 H 1.440 -5.874 -2.055 1.00 . A A . 15 TYR HD2 1 1 5 1553 1 1 15 TYR HE1 H -0.686 -6.628 2.371 1.00 . A A . 15 TYR HE1 1 1 5 1554 1 1 15 TYR HE2 H -0.160 -7.764 -1.747 1.00 . A A . 15 TYR HE2 1 1 5 1555 1 1 15 TYR HH H -1.781 -8.317 1.367 1.00 . A A . 15 TYR HH 1 1 5 1556 1 1 15 TYR N N 0.910 -2.029 -0.732 1.00 . A A . 15 TYR N 1 1 5 1557 1 1 15 TYR O O 4.017 -1.766 -0.296 1.00 . A A . 15 TYR O 1 1 5 1558 1 1 15 TYR OH O -1.407 -8.340 0.487 1.00 . A A . 15 TYR OH 1 1 5 1559 1 1 16 TRP C C 4.769 1.019 1.151 1.00 . A A . 16 TRP C 1 1 5 1560 1 1 16 TRP CA C 4.240 -0.124 2.050 1.00 . A A . 16 TRP CA 1 1 5 1561 1 1 16 TRP CB C 5.311 -1.113 2.532 1.00 . A A . 16 TRP CB 1 1 5 1562 1 1 16 TRP CD1 C 7.664 -0.338 3.110 1.00 . A A . 16 TRP CD1 1 1 5 1563 1 1 16 TRP CD2 C 6.347 -0.617 4.905 1.00 . A A . 16 TRP CD2 1 1 5 1564 1 1 16 TRP CE2 C 7.630 -0.252 5.397 1.00 . A A . 16 TRP CE2 1 1 5 1565 1 1 16 TRP CE3 C 5.350 -0.904 5.857 1.00 . A A . 16 TRP CE3 1 1 5 1566 1 1 16 TRP CG C 6.395 -0.654 3.452 1.00 . A A . 16 TRP CG 1 1 5 1567 1 1 16 TRP CH2 C 6.864 -0.376 7.694 1.00 . A A . 16 TRP CH2 1 1 5 1568 1 1 16 TRP CZ2 C 7.891 -0.114 6.770 1.00 . A A . 16 TRP CZ2 1 1 5 1569 1 1 16 TRP CZ3 C 5.599 -0.781 7.235 1.00 . A A . 16 TRP CZ3 1 1 5 1570 1 1 16 TRP H H 2.304 -0.982 2.177 1.00 . A A . 16 TRP H 1 1 5 1571 1 1 16 TRP HA H 3.902 0.373 2.953 1.00 . A A . 16 TRP HA 1 1 5 1572 1 1 16 TRP HB2 H 4.793 -1.886 3.091 1.00 . A A . 16 TRP HB2 1 1 5 1573 1 1 16 TRP HB3 H 5.762 -1.599 1.678 1.00 . A A . 16 TRP HB3 1 1 5 1574 1 1 16 TRP HD1 H 8.045 -0.311 2.094 1.00 . A A . 16 TRP HD1 1 1 5 1575 1 1 16 TRP HE1 H 9.408 -0.011 4.246 1.00 . A A . 16 TRP HE1 1 1 5 1576 1 1 16 TRP HE3 H 4.390 -1.252 5.507 1.00 . A A . 16 TRP HE3 1 1 5 1577 1 1 16 TRP HH2 H 7.052 -0.330 8.759 1.00 . A A . 16 TRP HH2 1 1 5 1578 1 1 16 TRP HZ2 H 8.882 0.110 7.120 1.00 . A A . 16 TRP HZ2 1 1 5 1579 1 1 16 TRP HZ3 H 4.822 -1.052 7.938 1.00 . A A . 16 TRP HZ3 1 1 5 1580 1 1 16 TRP N N 3.087 -0.901 1.544 1.00 . A A . 16 TRP N 1 1 5 1581 1 1 16 TRP NE1 N 8.409 -0.151 4.261 1.00 . A A . 16 TRP NE1 1 1 5 1582 1 1 16 TRP O O 5.840 0.937 0.558 1.00 . A A . 16 TRP O 1 1 5 1583 1 1 17 ASP C C 5.798 4.092 1.218 1.00 . A A . 17 ASP C 1 1 5 1584 1 1 17 ASP CA C 4.485 3.493 0.626 1.00 . A A . 17 ASP CA 1 1 5 1585 1 1 17 ASP CB C 3.319 4.493 0.853 1.00 . A A . 17 ASP CB 1 1 5 1586 1 1 17 ASP CG C 2.301 4.544 -0.291 1.00 . A A . 17 ASP CG 1 1 5 1587 1 1 17 ASP H H 3.187 2.142 1.642 1.00 . A A . 17 ASP H 1 1 5 1588 1 1 17 ASP HA H 4.648 3.399 -0.450 1.00 . A A . 17 ASP HA 1 1 5 1589 1 1 17 ASP HB2 H 2.814 4.250 1.791 1.00 . A A . 17 ASP HB2 1 1 5 1590 1 1 17 ASP HB3 H 3.703 5.506 0.958 1.00 . A A . 17 ASP HB3 1 1 5 1591 1 1 17 ASP N N 4.079 2.169 1.174 1.00 . A A . 17 ASP N 1 1 5 1592 1 1 17 ASP O O 6.152 5.245 0.960 1.00 . A A . 17 ASP O 1 1 5 1593 1 1 17 ASP OD1 O 2.733 4.695 -1.455 1.00 . A A . 17 ASP OD1 1 1 5 1594 1 1 17 ASP OD2 O 1.093 4.393 -0.007 1.00 . A A . 17 ASP OD2 1 1 5 1595 1 1 18 GLN C C 8.938 4.049 1.991 1.00 . A A . 18 GLN C 1 1 5 1596 1 1 18 GLN CA C 7.659 3.900 2.837 1.00 . A A . 18 GLN CA 1 1 5 1597 1 1 18 GLN CB C 7.935 2.970 4.028 1.00 . A A . 18 GLN CB 1 1 5 1598 1 1 18 GLN CD C 9.704 3.348 5.801 1.00 . A A . 18 GLN CD 1 1 5 1599 1 1 18 GLN CG C 8.289 3.675 5.350 1.00 . A A . 18 GLN CG 1 1 5 1600 1 1 18 GLN H H 6.320 2.375 2.090 1.00 . A A . 18 GLN H 1 1 5 1601 1 1 18 GLN HA H 7.365 4.885 3.200 1.00 . A A . 18 GLN HA 1 1 5 1602 1 1 18 GLN HB2 H 7.058 2.348 4.207 1.00 . A A . 18 GLN HB2 1 1 5 1603 1 1 18 GLN HB3 H 8.748 2.304 3.746 1.00 . A A . 18 GLN HB3 1 1 5 1604 1 1 18 GLN HE21 H 9.079 2.180 7.322 1.00 . A A . 18 GLN HE21 1 1 5 1605 1 1 18 GLN HE22 H 10.819 2.328 7.093 1.00 . A A . 18 GLN HE22 1 1 5 1606 1 1 18 GLN HG2 H 8.186 4.757 5.255 1.00 . A A . 18 GLN HG2 1 1 5 1607 1 1 18 GLN HG3 H 7.601 3.343 6.127 1.00 . A A . 18 GLN HG3 1 1 5 1608 1 1 18 GLN N N 6.527 3.365 2.071 1.00 . A A . 18 GLN N 1 1 5 1609 1 1 18 GLN NE2 N 9.877 2.589 6.859 1.00 . A A . 18 GLN NE2 1 1 5 1610 1 1 18 GLN O O 9.239 3.232 1.130 1.00 . A A . 18 GLN O 1 1 5 1611 1 1 18 GLN OE1 O 10.678 3.809 5.225 1.00 . A A . 18 GLN OE1 1 1 5 1612 1 1 19 HIS C C 12.190 4.390 1.628 1.00 . A A . 19 HIS C 1 1 5 1613 1 1 19 HIS CA C 11.019 5.407 1.596 1.00 . A A . 19 HIS CA 1 1 5 1614 1 1 19 HIS CB C 11.478 6.807 2.062 1.00 . A A . 19 HIS CB 1 1 5 1615 1 1 19 HIS CD2 C 13.106 7.823 3.764 1.00 . A A . 19 HIS CD2 1 1 5 1616 1 1 19 HIS CE1 C 12.943 6.357 5.417 1.00 . A A . 19 HIS CE1 1 1 5 1617 1 1 19 HIS CG C 12.194 6.872 3.401 1.00 . A A . 19 HIS CG 1 1 5 1618 1 1 19 HIS H H 9.416 5.673 3.010 1.00 . A A . 19 HIS H 1 1 5 1619 1 1 19 HIS HA H 10.756 5.487 0.539 1.00 . A A . 19 HIS HA 1 1 5 1620 1 1 19 HIS HB2 H 12.161 7.195 1.303 1.00 . A A . 19 HIS HB2 1 1 5 1621 1 1 19 HIS HB3 H 10.619 7.478 2.082 1.00 . A A . 19 HIS HB3 1 1 5 1622 1 1 19 HIS HD1 H 11.559 5.098 4.461 1.00 . A A . 19 HIS HD1 1 1 5 1623 1 1 19 HIS HD2 H 13.426 8.656 3.149 1.00 . A A . 19 HIS HD2 1 1 5 1624 1 1 19 HIS HE1 H 13.096 5.817 6.348 1.00 . A A . 19 HIS HE1 1 1 5 1625 1 1 19 HIS HE2 H 14.258 8.000 5.566 1.00 . A A . 19 HIS HE2 1 1 5 1626 1 1 19 HIS N N 9.773 5.046 2.310 1.00 . A A . 19 HIS N 1 1 5 1627 1 1 19 HIS ND1 N 12.113 5.959 4.437 1.00 . A A . 19 HIS ND1 1 1 5 1628 1 1 19 HIS NE2 N 13.559 7.494 5.032 1.00 . A A . 19 HIS NE2 1 1 5 1629 1 1 19 HIS O O 13.340 4.813 1.512 1.00 . A A . 19 HIS O 1 1 5 1630 1 1 20 ALA C C 12.664 0.835 1.117 1.00 . A A . 20 ALA C 1 1 5 1631 1 1 20 ALA CA C 12.993 2.073 1.979 1.00 . A A . 20 ALA CA 1 1 5 1632 1 1 20 ALA CB C 13.128 1.713 3.462 1.00 . A A . 20 ALA CB 1 1 5 1633 1 1 20 ALA H H 10.993 2.777 1.785 1.00 . A A . 20 ALA H 1 1 5 1634 1 1 20 ALA HA H 13.943 2.487 1.640 1.00 . A A . 20 ALA HA 1 1 5 1635 1 1 20 ALA HB1 H 13.355 2.608 4.040 1.00 . A A . 20 ALA HB1 1 1 5 1636 1 1 20 ALA HB2 H 12.195 1.277 3.822 1.00 . A A . 20 ALA HB2 1 1 5 1637 1 1 20 ALA HB3 H 13.930 0.987 3.597 1.00 . A A . 20 ALA HB3 1 1 5 1638 1 1 20 ALA N N 11.954 3.099 1.856 1.00 . A A . 20 ALA N 1 1 5 1639 1 1 20 ALA O O 11.486 0.512 0.967 1.00 . A A . 20 ALA O 1 1 5 1640 1 1 21 PRO C C 12.891 -2.222 0.276 1.00 . A A . 21 PRO C 1 1 5 1641 1 1 21 PRO CA C 13.447 -0.957 -0.394 1.00 . A A . 21 PRO CA 1 1 5 1642 1 1 21 PRO CB C 14.811 -1.202 -1.047 1.00 . A A . 21 PRO CB 1 1 5 1643 1 1 21 PRO CD C 15.101 0.393 0.708 1.00 . A A . 21 PRO CD 1 1 5 1644 1 1 21 PRO CG C 15.809 -0.782 0.034 1.00 . A A . 21 PRO CG 1 1 5 1645 1 1 21 PRO HA H 12.734 -0.648 -1.159 1.00 . A A . 21 PRO HA 1 1 5 1646 1 1 21 PRO HB2 H 14.947 -2.240 -1.350 1.00 . A A . 21 PRO HB2 1 1 5 1647 1 1 21 PRO HB3 H 14.918 -0.542 -1.909 1.00 . A A . 21 PRO HB3 1 1 5 1648 1 1 21 PRO HD2 H 15.386 0.445 1.760 1.00 . A A . 21 PRO HD2 1 1 5 1649 1 1 21 PRO HD3 H 15.366 1.319 0.196 1.00 . A A . 21 PRO HD3 1 1 5 1650 1 1 21 PRO HG2 H 15.943 -1.593 0.753 1.00 . A A . 21 PRO HG2 1 1 5 1651 1 1 21 PRO HG3 H 16.768 -0.484 -0.390 1.00 . A A . 21 PRO HG3 1 1 5 1652 1 1 21 PRO N N 13.673 0.143 0.549 1.00 . A A . 21 PRO N 1 1 5 1653 1 1 21 PRO O O 12.120 -2.950 -0.341 1.00 . A A . 21 PRO O 1 1 5 1654 1 1 22 LEU C C 12.493 -2.693 3.850 1.00 . A A . 22 LEU C 1 1 5 1655 1 1 22 LEU CA C 12.615 -3.376 2.476 1.00 . A A . 22 LEU CA 1 1 5 1656 1 1 22 LEU CB C 13.365 -4.725 2.573 1.00 . A A . 22 LEU CB 1 1 5 1657 1 1 22 LEU CD1 C 14.589 -5.350 0.427 1.00 . A A . 22 LEU CD1 1 1 5 1658 1 1 22 LEU CD2 C 13.305 -7.079 1.637 1.00 . A A . 22 LEU CD2 1 1 5 1659 1 1 22 LEU CG C 13.347 -5.589 1.294 1.00 . A A . 22 LEU CG 1 1 5 1660 1 1 22 LEU H H 13.851 -1.771 1.980 1.00 . A A . 22 LEU H 1 1 5 1661 1 1 22 LEU HA H 11.606 -3.576 2.131 1.00 . A A . 22 LEU HA 1 1 5 1662 1 1 22 LEU HB2 H 14.391 -4.560 2.902 1.00 . A A . 22 LEU HB2 1 1 5 1663 1 1 22 LEU HB3 H 12.879 -5.303 3.358 1.00 . A A . 22 LEU HB3 1 1 5 1664 1 1 22 LEU HD11 H 15.487 -5.615 0.985 1.00 . A A . 22 LEU HD11 1 1 5 1665 1 1 22 LEU HD12 H 14.643 -4.307 0.132 1.00 . A A . 22 LEU HD12 1 1 5 1666 1 1 22 LEU HD13 H 14.524 -5.963 -0.470 1.00 . A A . 22 LEU HD13 1 1 5 1667 1 1 22 LEU HD21 H 12.413 -7.291 2.233 1.00 . A A . 22 LEU HD21 1 1 5 1668 1 1 22 LEU HD22 H 14.175 -7.362 2.231 1.00 . A A . 22 LEU HD22 1 1 5 1669 1 1 22 LEU HD23 H 13.261 -7.678 0.730 1.00 . A A . 22 LEU HD23 1 1 5 1670 1 1 22 LEU HG H 12.454 -5.360 0.714 1.00 . A A . 22 LEU HG 1 1 5 1671 1 1 22 LEU N N 13.255 -2.454 1.540 1.00 . A A . 22 LEU N 1 1 5 1672 1 1 22 LEU O O 13.020 -1.594 4.055 1.00 . A A . 22 LEU O 1 1 5 1673 1 1 23 ALA C C 11.494 -4.140 7.147 1.00 . A A . 23 ALA C 1 1 5 1674 1 1 23 ALA CA C 11.672 -2.945 6.186 1.00 . A A . 23 ALA CA 1 1 5 1675 1 1 23 ALA CB C 10.496 -1.975 6.310 1.00 . A A . 23 ALA CB 1 1 5 1676 1 1 23 ALA H H 11.414 -4.241 4.520 1.00 . A A . 23 ALA H 1 1 5 1677 1 1 23 ALA HA H 12.583 -2.432 6.494 1.00 . A A . 23 ALA HA 1 1 5 1678 1 1 23 ALA HB1 H 9.574 -2.476 6.009 1.00 . A A . 23 ALA HB1 1 1 5 1679 1 1 23 ALA HB2 H 10.402 -1.660 7.350 1.00 . A A . 23 ALA HB2 1 1 5 1680 1 1 23 ALA HB3 H 10.670 -1.103 5.680 1.00 . A A . 23 ALA HB3 1 1 5 1681 1 1 23 ALA N N 11.790 -3.338 4.777 1.00 . A A . 23 ALA N 1 1 5 1682 1 1 23 ALA O O 11.385 -3.929 8.353 1.00 . A A . 23 ALA O 1 1 5 1683 1 1 24 ASP C C 12.234 -7.587 6.235 1.00 . A A . 24 ASP C 1 1 5 1684 1 1 24 ASP CA C 11.336 -6.697 7.125 1.00 . A A . 24 ASP CA 1 1 5 1685 1 1 24 ASP CB C 9.839 -7.093 7.071 1.00 . A A . 24 ASP CB 1 1 5 1686 1 1 24 ASP CG C 9.401 -8.238 8.006 1.00 . A A . 24 ASP CG 1 1 5 1687 1 1 24 ASP H H 11.718 -5.469 5.608 1.00 . A A . 24 ASP H 1 1 5 1688 1 1 24 ASP HA H 11.693 -6.742 8.154 1.00 . A A . 24 ASP HA 1 1 5 1689 1 1 24 ASP HB2 H 9.242 -6.221 7.346 1.00 . A A . 24 ASP HB2 1 1 5 1690 1 1 24 ASP HB3 H 9.576 -7.339 6.039 1.00 . A A . 24 ASP HB3 1 1 5 1691 1 1 24 ASP N N 11.469 -5.345 6.580 1.00 . A A . 24 ASP N 1 1 5 1692 1 1 24 ASP O O 12.355 -7.222 5.035 1.00 . A A . 24 ASP O 1 1 5 1693 1 1 24 ASP OXT O 12.913 -8.491 6.766 1.00 . A A . 24 ASP OXT 1 1 5 1694 1 1 24 ASP OD1 O 9.650 -8.133 9.231 1.00 . A A . 24 ASP OD1 1 1 5 1695 1 1 24 ASP OD2 O 8.685 -9.145 7.517 1.00 . A A . 24 ASP OD2 1 1 6 1696 1 1 1 GLY C C 1.585 -0.976 -2.078 1.00 . A A . 1 GLY C 1 1 6 1697 1 1 1 GLY CA C 1.210 0.358 -1.395 1.00 . A A . 1 GLY CA 1 1 6 1698 1 1 1 GLY H1 H 1.169 -0.527 0.509 1.00 . A A . 1 GLY H1 1 1 6 1699 1 1 1 GLY HA2 H 0.453 0.852 -2.003 1.00 . A A . 1 GLY HA2 1 1 6 1700 1 1 1 GLY HA3 H 2.088 1.000 -1.324 1.00 . A A . 1 GLY HA3 1 1 6 1701 1 1 1 GLY N N 0.683 0.158 -0.047 1.00 . A A . 1 GLY N 1 1 6 1702 1 1 1 GLY O O 0.907 -1.980 -1.836 1.00 . A A . 1 GLY O 1 1 6 1703 1 1 2 PRO C C 4.158 -2.972 -3.356 1.00 . A A . 2 PRO C 1 1 6 1704 1 1 2 PRO CA C 2.928 -2.160 -3.829 1.00 . A A . 2 PRO CA 1 1 6 1705 1 1 2 PRO CB C 3.240 -1.534 -5.192 1.00 . A A . 2 PRO CB 1 1 6 1706 1 1 2 PRO CD C 3.227 0.196 -3.545 1.00 . A A . 2 PRO CD 1 1 6 1707 1 1 2 PRO CG C 3.988 -0.260 -4.793 1.00 . A A . 2 PRO CG 1 1 6 1708 1 1 2 PRO HA H 2.087 -2.844 -3.926 1.00 . A A . 2 PRO HA 1 1 6 1709 1 1 2 PRO HB2 H 3.846 -2.183 -5.827 1.00 . A A . 2 PRO HB2 1 1 6 1710 1 1 2 PRO HB3 H 2.306 -1.271 -5.693 1.00 . A A . 2 PRO HB3 1 1 6 1711 1 1 2 PRO HD2 H 3.919 0.625 -2.818 1.00 . A A . 2 PRO HD2 1 1 6 1712 1 1 2 PRO HD3 H 2.480 0.935 -3.833 1.00 . A A . 2 PRO HD3 1 1 6 1713 1 1 2 PRO HG2 H 5.022 -0.496 -4.534 1.00 . A A . 2 PRO HG2 1 1 6 1714 1 1 2 PRO HG3 H 3.957 0.489 -5.585 1.00 . A A . 2 PRO HG3 1 1 6 1715 1 1 2 PRO N N 2.565 -0.991 -3.009 1.00 . A A . 2 PRO N 1 1 6 1716 1 1 2 PRO O O 4.498 -3.964 -3.997 1.00 . A A . 2 PRO O 1 1 6 1717 1 1 3 THR C C 6.216 -4.394 -1.302 1.00 . A A . 3 THR C 1 1 6 1718 1 1 3 THR CA C 6.207 -2.958 -1.897 1.00 . A A . 3 THR CA 1 1 6 1719 1 1 3 THR CB C 6.786 -1.925 -0.906 1.00 . A A . 3 THR CB 1 1 6 1720 1 1 3 THR CG2 C 6.413 -0.468 -1.197 1.00 . A A . 3 THR CG2 1 1 6 1721 1 1 3 THR H H 4.446 -1.763 -1.788 1.00 . A A . 3 THR H 1 1 6 1722 1 1 3 THR HA H 6.846 -2.955 -2.782 1.00 . A A . 3 THR HA 1 1 6 1723 1 1 3 THR HB H 7.869 -1.997 -0.901 1.00 . A A . 3 THR HB 1 1 6 1724 1 1 3 THR HG1 H 5.328 -2.253 0.297 1.00 . A A . 3 THR HG1 1 1 6 1725 1 1 3 THR HG21 H 5.360 -0.289 -0.995 1.00 . A A . 3 THR HG21 1 1 6 1726 1 1 3 THR HG22 H 6.632 -0.228 -2.237 1.00 . A A . 3 THR HG22 1 1 6 1727 1 1 3 THR HG23 H 6.997 0.190 -0.559 1.00 . A A . 3 THR HG23 1 1 6 1728 1 1 3 THR N N 4.857 -2.519 -2.315 1.00 . A A . 3 THR N 1 1 6 1729 1 1 3 THR O O 5.151 -4.960 -1.058 1.00 . A A . 3 THR O 1 1 6 1730 1 1 3 THR OG1 O 6.299 -2.195 0.383 1.00 . A A . 3 THR OG1 1 1 6 1731 1 1 4 PRO C C 7.082 -6.709 0.898 1.00 . A A . 4 PRO C 1 1 6 1732 1 1 4 PRO CA C 7.402 -6.460 -0.599 1.00 . A A . 4 PRO CA 1 1 6 1733 1 1 4 PRO CB C 8.805 -6.929 -1.005 1.00 . A A . 4 PRO CB 1 1 6 1734 1 1 4 PRO CD C 8.730 -4.551 -1.186 1.00 . A A . 4 PRO CD 1 1 6 1735 1 1 4 PRO CG C 9.650 -5.690 -0.742 1.00 . A A . 4 PRO CG 1 1 6 1736 1 1 4 PRO HA H 6.670 -7.027 -1.176 1.00 . A A . 4 PRO HA 1 1 6 1737 1 1 4 PRO HB2 H 9.159 -7.793 -0.442 1.00 . A A . 4 PRO HB2 1 1 6 1738 1 1 4 PRO HB3 H 8.813 -7.153 -2.071 1.00 . A A . 4 PRO HB3 1 1 6 1739 1 1 4 PRO HD2 H 8.927 -3.683 -0.559 1.00 . A A . 4 PRO HD2 1 1 6 1740 1 1 4 PRO HD3 H 8.912 -4.311 -2.235 1.00 . A A . 4 PRO HD3 1 1 6 1741 1 1 4 PRO HG2 H 9.840 -5.619 0.329 1.00 . A A . 4 PRO HG2 1 1 6 1742 1 1 4 PRO HG3 H 10.586 -5.703 -1.300 1.00 . A A . 4 PRO HG3 1 1 6 1743 1 1 4 PRO N N 7.366 -5.045 -1.015 1.00 . A A . 4 PRO N 1 1 6 1744 1 1 4 PRO O O 7.594 -7.661 1.489 1.00 . A A . 4 PRO O 1 1 6 1745 1 1 5 MET C C 4.328 -5.855 3.137 1.00 . A A . 5 MET C 1 1 6 1746 1 1 5 MET CA C 5.859 -5.983 2.956 1.00 . A A . 5 MET CA 1 1 6 1747 1 1 5 MET CB C 6.687 -5.009 3.817 1.00 . A A . 5 MET CB 1 1 6 1748 1 1 5 MET CE C 10.760 -5.237 4.737 1.00 . A A . 5 MET CE 1 1 6 1749 1 1 5 MET CG C 8.187 -5.318 3.775 1.00 . A A . 5 MET CG 1 1 6 1750 1 1 5 MET H H 5.774 -5.203 0.943 1.00 . A A . 5 MET H 1 1 6 1751 1 1 5 MET HA H 6.102 -6.990 3.298 1.00 . A A . 5 MET HA 1 1 6 1752 1 1 5 MET HB2 H 6.545 -3.995 3.464 1.00 . A A . 5 MET HB2 1 1 6 1753 1 1 5 MET HB3 H 6.362 -5.071 4.856 1.00 . A A . 5 MET HB3 1 1 6 1754 1 1 5 MET HE1 H 10.667 -6.288 5.010 1.00 . A A . 5 MET HE1 1 1 6 1755 1 1 5 MET HE2 H 11.042 -5.167 3.687 1.00 . A A . 5 MET HE2 1 1 6 1756 1 1 5 MET HE3 H 11.527 -4.763 5.347 1.00 . A A . 5 MET HE3 1 1 6 1757 1 1 5 MET HG2 H 8.328 -6.385 3.950 1.00 . A A . 5 MET HG2 1 1 6 1758 1 1 5 MET HG3 H 8.570 -5.078 2.781 1.00 . A A . 5 MET HG3 1 1 6 1759 1 1 5 MET N N 6.256 -5.872 1.536 1.00 . A A . 5 MET N 1 1 6 1760 1 1 5 MET O O 3.580 -6.150 2.212 1.00 . A A . 5 MET O 1 1 6 1761 1 1 5 MET SD S 9.172 -4.407 4.998 1.00 . A A . 5 MET SD 1 1 6 1762 1 1 6 VAL C C 2.019 -4.377 5.654 1.00 . A A . 6 VAL C 1 1 6 1763 1 1 6 VAL CA C 2.366 -5.456 4.620 1.00 . A A . 6 VAL CA 1 1 6 1764 1 1 6 VAL CB C 1.846 -6.849 5.044 1.00 . A A . 6 VAL CB 1 1 6 1765 1 1 6 VAL CG1 C 2.410 -7.326 6.390 1.00 . A A . 6 VAL CG1 1 1 6 1766 1 1 6 VAL CG2 C 0.314 -6.915 5.105 1.00 . A A . 6 VAL CG2 1 1 6 1767 1 1 6 VAL H H 4.442 -5.256 5.082 1.00 . A A . 6 VAL H 1 1 6 1768 1 1 6 VAL HA H 1.849 -5.191 3.704 1.00 . A A . 6 VAL HA 1 1 6 1769 1 1 6 VAL HB H 2.159 -7.566 4.283 1.00 . A A . 6 VAL HB 1 1 6 1770 1 1 6 VAL HG11 H 3.498 -7.353 6.346 1.00 . A A . 6 VAL HG11 1 1 6 1771 1 1 6 VAL HG12 H 2.106 -6.656 7.195 1.00 . A A . 6 VAL HG12 1 1 6 1772 1 1 6 VAL HG13 H 2.047 -8.330 6.604 1.00 . A A . 6 VAL HG13 1 1 6 1773 1 1 6 VAL HG21 H 0.002 -7.950 5.240 1.00 . A A . 6 VAL HG21 1 1 6 1774 1 1 6 VAL HG22 H -0.069 -6.322 5.935 1.00 . A A . 6 VAL HG22 1 1 6 1775 1 1 6 VAL HG23 H -0.109 -6.547 4.171 1.00 . A A . 6 VAL HG23 1 1 6 1776 1 1 6 VAL N N 3.818 -5.521 4.333 1.00 . A A . 6 VAL N 1 1 6 1777 1 1 6 VAL O O 2.816 -4.089 6.546 1.00 . A A . 6 VAL O 1 1 6 1778 1 1 7 GLY C C 0.913 -1.382 6.111 1.00 . A A . 7 GLY C 1 1 6 1779 1 1 7 GLY CA C 0.329 -2.753 6.459 1.00 . A A . 7 GLY CA 1 1 6 1780 1 1 7 GLY H H 0.268 -3.987 4.726 1.00 . A A . 7 GLY H 1 1 6 1781 1 1 7 GLY HA2 H -0.755 -2.691 6.368 1.00 . A A . 7 GLY HA2 1 1 6 1782 1 1 7 GLY HA3 H 0.584 -3.000 7.489 1.00 . A A . 7 GLY HA3 1 1 6 1783 1 1 7 GLY N N 0.814 -3.806 5.565 1.00 . A A . 7 GLY N 1 1 6 1784 1 1 7 GLY O O 1.628 -1.244 5.126 1.00 . A A . 7 GLY O 1 1 6 1785 1 1 8 LEU C C 0.231 1.737 5.571 1.00 . A A . 8 LEU C 1 1 6 1786 1 1 8 LEU CA C 0.979 1.061 6.740 1.00 . A A . 8 LEU CA 1 1 6 1787 1 1 8 LEU CB C 2.517 1.233 6.638 1.00 . A A . 8 LEU CB 1 1 6 1788 1 1 8 LEU CD1 C 2.427 3.821 6.740 1.00 . A A . 8 LEU CD1 1 1 6 1789 1 1 8 LEU CD2 C 3.187 2.520 8.710 1.00 . A A . 8 LEU CD2 1 1 6 1790 1 1 8 LEU CG C 3.131 2.541 7.181 1.00 . A A . 8 LEU CG 1 1 6 1791 1 1 8 LEU H H 0.017 -0.582 7.699 1.00 . A A . 8 LEU H 1 1 6 1792 1 1 8 LEU HA H 0.656 1.577 7.641 1.00 . A A . 8 LEU HA 1 1 6 1793 1 1 8 LEU HB2 H 2.995 0.411 7.168 1.00 . A A . 8 LEU HB2 1 1 6 1794 1 1 8 LEU HB3 H 2.805 1.137 5.591 1.00 . A A . 8 LEU HB3 1 1 6 1795 1 1 8 LEU HD11 H 3.010 4.689 7.042 1.00 . A A . 8 LEU HD11 1 1 6 1796 1 1 8 LEU HD12 H 1.440 3.894 7.193 1.00 . A A . 8 LEU HD12 1 1 6 1797 1 1 8 LEU HD13 H 2.316 3.841 5.656 1.00 . A A . 8 LEU HD13 1 1 6 1798 1 1 8 LEU HD21 H 3.740 1.640 9.040 1.00 . A A . 8 LEU HD21 1 1 6 1799 1 1 8 LEU HD22 H 2.180 2.493 9.123 1.00 . A A . 8 LEU HD22 1 1 6 1800 1 1 8 LEU HD23 H 3.698 3.414 9.067 1.00 . A A . 8 LEU HD23 1 1 6 1801 1 1 8 LEU HG H 4.158 2.591 6.816 1.00 . A A . 8 LEU HG 1 1 6 1802 1 1 8 LEU N N 0.618 -0.361 6.924 1.00 . A A . 8 LEU N 1 1 6 1803 1 1 8 LEU O O -0.442 2.734 5.801 1.00 . A A . 8 LEU O 1 1 6 1804 1 1 9 ASP C C -1.134 2.758 3.028 1.00 . A A . 9 ASP C 1 1 6 1805 1 1 9 ASP CA C 0.000 1.722 3.043 1.00 . A A . 9 ASP CA 1 1 6 1806 1 1 9 ASP CB C -0.269 0.561 2.088 1.00 . A A . 9 ASP CB 1 1 6 1807 1 1 9 ASP CG C -0.155 0.957 0.615 1.00 . A A . 9 ASP CG 1 1 6 1808 1 1 9 ASP H H 0.860 0.306 4.364 1.00 . A A . 9 ASP H 1 1 6 1809 1 1 9 ASP HA H 0.889 2.211 2.672 1.00 . A A . 9 ASP HA 1 1 6 1810 1 1 9 ASP HB2 H 0.437 -0.239 2.311 1.00 . A A . 9 ASP HB2 1 1 6 1811 1 1 9 ASP HB3 H -1.269 0.179 2.267 1.00 . A A . 9 ASP HB3 1 1 6 1812 1 1 9 ASP N N 0.357 1.184 4.363 1.00 . A A . 9 ASP N 1 1 6 1813 1 1 9 ASP O O -2.316 2.404 3.100 1.00 . A A . 9 ASP O 1 1 6 1814 1 1 9 ASP OD1 O -1.248 1.287 0.091 1.00 . A A . 9 ASP OD1 1 1 6 1815 1 1 10 SER C C -2.853 5.292 2.151 1.00 . A A . 10 SER C 1 1 6 1816 1 1 10 SER CA C -1.634 5.217 3.085 1.00 . A A . 10 SER CA 1 1 6 1817 1 1 10 SER CB C -0.807 6.496 2.884 1.00 . A A . 10 SER CB 1 1 6 1818 1 1 10 SER H H 0.230 4.239 2.824 1.00 . A A . 10 SER H 1 1 6 1819 1 1 10 SER HA H -2.014 5.211 4.107 1.00 . A A . 10 SER HA 1 1 6 1820 1 1 10 SER HB2 H -0.422 6.520 1.864 1.00 . A A . 10 SER HB2 1 1 6 1821 1 1 10 SER HB3 H -1.454 7.362 3.026 1.00 . A A . 10 SER HB3 1 1 6 1822 1 1 10 SER HG H 0.981 5.971 3.510 1.00 . A A . 10 SER HG 1 1 6 1823 1 1 10 SER N N -0.767 4.039 2.908 1.00 . A A . 10 SER N 1 1 6 1824 1 1 10 SER O O -3.665 6.209 2.274 1.00 . A A . 10 SER O 1 1 6 1825 1 1 10 SER OG O 0.268 6.597 3.800 1.00 . A A . 10 SER OG 1 1 6 1826 1 1 11 VAL C C -5.015 3.184 0.335 1.00 . A A . 11 VAL C 1 1 6 1827 1 1 11 VAL CA C -4.030 4.349 0.160 1.00 . A A . 11 VAL CA 1 1 6 1828 1 1 11 VAL CB C -3.359 4.329 -1.232 1.00 . A A . 11 VAL CB 1 1 6 1829 1 1 11 VAL CG1 C -4.375 4.361 -2.381 1.00 . A A . 11 VAL CG1 1 1 6 1830 1 1 11 VAL CG2 C -2.431 5.541 -1.414 1.00 . A A . 11 VAL CG2 1 1 6 1831 1 1 11 VAL H H -2.296 3.628 1.206 1.00 . A A . 11 VAL H 1 1 6 1832 1 1 11 VAL HA H -4.618 5.265 0.224 1.00 . A A . 11 VAL HA 1 1 6 1833 1 1 11 VAL HB H -2.768 3.419 -1.325 1.00 . A A . 11 VAL HB 1 1 6 1834 1 1 11 VAL HG11 H -4.969 3.449 -2.386 1.00 . A A . 11 VAL HG11 1 1 6 1835 1 1 11 VAL HG12 H -5.034 5.221 -2.273 1.00 . A A . 11 VAL HG12 1 1 6 1836 1 1 11 VAL HG13 H -3.854 4.427 -3.334 1.00 . A A . 11 VAL HG13 1 1 6 1837 1 1 11 VAL HG21 H -1.983 5.523 -2.405 1.00 . A A . 11 VAL HG21 1 1 6 1838 1 1 11 VAL HG22 H -2.994 6.465 -1.284 1.00 . A A . 11 VAL HG22 1 1 6 1839 1 1 11 VAL HG23 H -1.622 5.512 -0.685 1.00 . A A . 11 VAL HG23 1 1 6 1840 1 1 11 VAL N N -2.994 4.361 1.202 1.00 . A A . 11 VAL N 1 1 6 1841 1 1 11 VAL O O -6.179 3.309 -0.050 1.00 . A A . 11 VAL O 1 1 6 1842 1 1 12 SER C C -5.073 -0.145 2.136 1.00 . A A . 12 SER C 1 1 6 1843 1 1 12 SER CA C -5.463 0.840 1.015 1.00 . A A . 12 SER CA 1 1 6 1844 1 1 12 SER CB C -5.524 0.117 -0.344 1.00 . A A . 12 SER CB 1 1 6 1845 1 1 12 SER H H -3.622 1.985 1.156 1.00 . A A . 12 SER H 1 1 6 1846 1 1 12 SER HA H -6.478 1.159 1.255 1.00 . A A . 12 SER HA 1 1 6 1847 1 1 12 SER HB2 H -4.513 -0.020 -0.730 1.00 . A A . 12 SER HB2 1 1 6 1848 1 1 12 SER HB3 H -5.991 -0.862 -0.236 1.00 . A A . 12 SER HB3 1 1 6 1849 1 1 12 SER HG H -6.337 1.783 -0.951 1.00 . A A . 12 SER HG 1 1 6 1850 1 1 12 SER N N -4.601 2.037 0.892 1.00 . A A . 12 SER N 1 1 6 1851 1 1 12 SER O O -5.594 -1.259 2.173 1.00 . A A . 12 SER O 1 1 6 1852 1 1 12 SER OG O -6.295 0.863 -1.269 1.00 . A A . 12 SER OG 1 1 6 1853 1 1 13 GLY C C -2.589 -1.655 3.608 1.00 . A A . 13 GLY C 1 1 6 1854 1 1 13 GLY CA C -3.667 -0.688 4.113 1.00 . A A . 13 GLY CA 1 1 6 1855 1 1 13 GLY H H -3.725 1.119 2.986 1.00 . A A . 13 GLY H 1 1 6 1856 1 1 13 GLY HA2 H -3.241 -0.077 4.907 1.00 . A A . 13 GLY HA2 1 1 6 1857 1 1 13 GLY HA3 H -4.492 -1.266 4.527 1.00 . A A . 13 GLY HA3 1 1 6 1858 1 1 13 GLY N N -4.163 0.204 3.051 1.00 . A A . 13 GLY N 1 1 6 1859 1 1 13 GLY O O -1.480 -1.650 4.128 1.00 . A A . 13 GLY O 1 1 6 1860 1 1 14 GLN C C -0.643 -3.412 1.825 1.00 . A A . 14 GLN C 1 1 6 1861 1 1 14 GLN CA C -2.090 -2.962 1.478 1.00 . A A . 14 GLN CA 1 1 6 1862 1 1 14 GLN CB C -2.210 -1.999 0.262 1.00 . A A . 14 GLN CB 1 1 6 1863 1 1 14 GLN CD C -2.377 -3.920 -1.408 1.00 . A A . 14 GLN CD 1 1 6 1864 1 1 14 GLN CG C -2.982 -2.609 -0.916 1.00 . A A . 14 GLN CG 1 1 6 1865 1 1 14 GLN H H -3.912 -2.325 2.327 1.00 . A A . 14 GLN H 1 1 6 1866 1 1 14 GLN HA H -2.576 -3.897 1.198 1.00 . A A . 14 GLN HA 1 1 6 1867 1 1 14 GLN HB2 H -2.725 -1.086 0.560 1.00 . A A . 14 GLN HB2 1 1 6 1868 1 1 14 GLN HB3 H -1.240 -1.677 -0.102 1.00 . A A . 14 GLN HB3 1 1 6 1869 1 1 14 GLN HE21 H -0.588 -3.099 -2.033 1.00 . A A . 14 GLN HE21 1 1 6 1870 1 1 14 GLN HE22 H -0.808 -4.851 -2.075 1.00 . A A . 14 GLN HE22 1 1 6 1871 1 1 14 GLN HG2 H -4.009 -2.792 -0.601 1.00 . A A . 14 GLN HG2 1 1 6 1872 1 1 14 GLN HG3 H -3.002 -1.894 -1.737 1.00 . A A . 14 GLN HG3 1 1 6 1873 1 1 14 GLN N N -2.931 -2.415 2.561 1.00 . A A . 14 GLN N 1 1 6 1874 1 1 14 GLN NE2 N -1.175 -3.922 -1.936 1.00 . A A . 14 GLN NE2 1 1 6 1875 1 1 14 GLN O O -0.386 -3.953 2.903 1.00 . A A . 14 GLN O 1 1 6 1876 1 1 14 GLN OE1 O -2.967 -4.977 -1.279 1.00 . A A . 14 GLN OE1 1 1 6 1877 1 1 15 TYR C C 2.688 -2.733 1.129 1.00 . A A . 15 TYR C 1 1 6 1878 1 1 15 TYR CA C 1.655 -3.855 0.944 1.00 . A A . 15 TYR CA 1 1 6 1879 1 1 15 TYR CB C 1.965 -4.767 -0.257 1.00 . A A . 15 TYR CB 1 1 6 1880 1 1 15 TYR CD1 C 0.213 -6.496 0.451 1.00 . A A . 15 TYR CD1 1 1 6 1881 1 1 15 TYR CD2 C 0.867 -6.340 -1.893 1.00 . A A . 15 TYR CD2 1 1 6 1882 1 1 15 TYR CE1 C -0.704 -7.514 0.130 1.00 . A A . 15 TYR CE1 1 1 6 1883 1 1 15 TYR CE2 C -0.048 -7.360 -2.220 1.00 . A A . 15 TYR CE2 1 1 6 1884 1 1 15 TYR CG C 0.985 -5.889 -0.563 1.00 . A A . 15 TYR CG 1 1 6 1885 1 1 15 TYR CZ C -0.840 -7.943 -1.206 1.00 . A A . 15 TYR CZ 1 1 6 1886 1 1 15 TYR H H 0.042 -2.931 -0.031 1.00 . A A . 15 TYR H 1 1 6 1887 1 1 15 TYR HA H 1.739 -4.480 1.825 1.00 . A A . 15 TYR HA 1 1 6 1888 1 1 15 TYR HB2 H 2.069 -4.152 -1.149 1.00 . A A . 15 TYR HB2 1 1 6 1889 1 1 15 TYR HB3 H 2.931 -5.229 -0.077 1.00 . A A . 15 TYR HB3 1 1 6 1890 1 1 15 TYR HD1 H 0.323 -6.187 1.480 1.00 . A A . 15 TYR HD1 1 1 6 1891 1 1 15 TYR HD2 H 1.497 -5.903 -2.658 1.00 . A A . 15 TYR HD2 1 1 6 1892 1 1 15 TYR HE1 H -1.315 -7.970 0.892 1.00 . A A . 15 TYR HE1 1 1 6 1893 1 1 15 TYR HE2 H -0.135 -7.696 -3.241 1.00 . A A . 15 TYR HE2 1 1 6 1894 1 1 15 TYR HH H -1.766 -9.064 -2.455 1.00 . A A . 15 TYR HH 1 1 6 1895 1 1 15 TYR N N 0.289 -3.333 0.863 1.00 . A A . 15 TYR N 1 1 6 1896 1 1 15 TYR O O 3.611 -2.567 0.335 1.00 . A A . 15 TYR O 1 1 6 1897 1 1 15 TYR OH O -1.707 -8.944 -1.508 1.00 . A A . 15 TYR OH 1 1 6 1898 1 1 16 TRP C C 4.003 0.083 1.867 1.00 . A A . 16 TRP C 1 1 6 1899 1 1 16 TRP CA C 3.583 -1.087 2.776 1.00 . A A . 16 TRP CA 1 1 6 1900 1 1 16 TRP CB C 4.692 -1.993 3.321 1.00 . A A . 16 TRP CB 1 1 6 1901 1 1 16 TRP CD1 C 7.076 -1.221 3.481 1.00 . A A . 16 TRP CD1 1 1 6 1902 1 1 16 TRP CD2 C 6.054 -1.238 5.479 1.00 . A A . 16 TRP CD2 1 1 6 1903 1 1 16 TRP CE2 C 7.440 -1.010 5.723 1.00 . A A . 16 TRP CE2 1 1 6 1904 1 1 16 TRP CE3 C 5.211 -1.302 6.607 1.00 . A A . 16 TRP CE3 1 1 6 1905 1 1 16 TRP CG C 5.868 -1.429 4.045 1.00 . A A . 16 TRP CG 1 1 6 1906 1 1 16 TRP CH2 C 7.104 -0.930 8.114 1.00 . A A . 16 TRP CH2 1 1 6 1907 1 1 16 TRP CZ2 C 7.975 -0.876 7.013 1.00 . A A . 16 TRP CZ2 1 1 6 1908 1 1 16 TRP CZ3 C 5.724 -1.125 7.906 1.00 . A A . 16 TRP CZ3 1 1 6 1909 1 1 16 TRP H H 1.760 -2.181 2.834 1.00 . A A . 16 TRP H 1 1 6 1910 1 1 16 TRP HA H 3.165 -0.578 3.636 1.00 . A A . 16 TRP HA 1 1 6 1911 1 1 16 TRP HB2 H 4.227 -2.694 4.013 1.00 . A A . 16 TRP HB2 1 1 6 1912 1 1 16 TRP HB3 H 5.074 -2.596 2.503 1.00 . A A . 16 TRP HB3 1 1 6 1913 1 1 16 TRP HD1 H 7.293 -1.363 2.427 1.00 . A A . 16 TRP HD1 1 1 6 1914 1 1 16 TRP HE1 H 8.999 -0.944 4.272 1.00 . A A . 16 TRP HE1 1 1 6 1915 1 1 16 TRP HE3 H 4.160 -1.510 6.450 1.00 . A A . 16 TRP HE3 1 1 6 1916 1 1 16 TRP HH2 H 7.488 -0.845 9.120 1.00 . A A . 16 TRP HH2 1 1 6 1917 1 1 16 TRP HZ2 H 9.043 -0.769 7.142 1.00 . A A . 16 TRP HZ2 1 1 6 1918 1 1 16 TRP HZ3 H 5.054 -1.185 8.752 1.00 . A A . 16 TRP HZ3 1 1 6 1919 1 1 16 TRP N N 2.554 -1.991 2.237 1.00 . A A . 16 TRP N 1 1 6 1920 1 1 16 TRP NE1 N 8.007 -0.987 4.470 1.00 . A A . 16 TRP NE1 1 1 6 1921 1 1 16 TRP O O 3.538 0.237 0.743 1.00 . A A . 16 TRP O 1 1 6 1922 1 1 17 ASP C C 6.018 3.181 2.398 1.00 . A A . 17 ASP C 1 1 6 1923 1 1 17 ASP CA C 4.688 2.453 2.123 1.00 . A A . 17 ASP CA 1 1 6 1924 1 1 17 ASP CB C 3.591 3.084 3.018 1.00 . A A . 17 ASP CB 1 1 6 1925 1 1 17 ASP CG C 2.568 3.967 2.296 1.00 . A A . 17 ASP CG 1 1 6 1926 1 1 17 ASP H H 5.106 0.762 3.364 1.00 . A A . 17 ASP H 1 1 6 1927 1 1 17 ASP HA H 4.428 2.581 1.070 1.00 . A A . 17 ASP HA 1 1 6 1928 1 1 17 ASP HB2 H 3.023 2.294 3.509 1.00 . A A . 17 ASP HB2 1 1 6 1929 1 1 17 ASP HB3 H 4.059 3.655 3.821 1.00 . A A . 17 ASP HB3 1 1 6 1930 1 1 17 ASP N N 4.748 1.017 2.460 1.00 . A A . 17 ASP N 1 1 6 1931 1 1 17 ASP O O 6.139 4.391 2.214 1.00 . A A . 17 ASP O 1 1 6 1932 1 1 17 ASP OD1 O 2.138 3.601 1.183 1.00 . A A . 17 ASP OD1 1 1 6 1933 1 1 17 ASP OD2 O 2.036 4.891 2.954 1.00 . A A . 17 ASP OD2 1 1 6 1934 1 1 18 GLN C C 9.338 3.105 3.659 1.00 . A A . 18 GLN C 1 1 6 1935 1 1 18 GLN CA C 7.848 3.067 4.015 1.00 . A A . 18 GLN CA 1 1 6 1936 1 1 18 GLN CB C 7.499 2.448 5.378 1.00 . A A . 18 GLN CB 1 1 6 1937 1 1 18 GLN CD C 8.864 3.312 7.385 1.00 . A A . 18 GLN CD 1 1 6 1938 1 1 18 GLN CG C 7.593 3.437 6.558 1.00 . A A . 18 GLN CG 1 1 6 1939 1 1 18 GLN H H 6.904 1.471 2.948 1.00 . A A . 18 GLN H 1 1 6 1940 1 1 18 GLN HA H 7.569 4.118 4.081 1.00 . A A . 18 GLN HA 1 1 6 1941 1 1 18 GLN HB2 H 6.465 2.102 5.344 1.00 . A A . 18 GLN HB2 1 1 6 1942 1 1 18 GLN HB3 H 8.131 1.582 5.550 1.00 . A A . 18 GLN HB3 1 1 6 1943 1 1 18 GLN HE21 H 8.541 1.358 7.740 1.00 . A A . 18 GLN HE21 1 1 6 1944 1 1 18 GLN HE22 H 9.985 2.101 8.459 1.00 . A A . 18 GLN HE22 1 1 6 1945 1 1 18 GLN HG2 H 7.483 4.463 6.209 1.00 . A A . 18 GLN HG2 1 1 6 1946 1 1 18 GLN HG3 H 6.758 3.241 7.229 1.00 . A A . 18 GLN HG3 1 1 6 1947 1 1 18 GLN N N 6.997 2.476 2.980 1.00 . A A . 18 GLN N 1 1 6 1948 1 1 18 GLN NE2 N 9.131 2.150 7.939 1.00 . A A . 18 GLN NE2 1 1 6 1949 1 1 18 GLN O O 10.203 2.955 4.526 1.00 . A A . 18 GLN O 1 1 6 1950 1 1 18 GLN OE1 O 9.597 4.264 7.611 1.00 . A A . 18 GLN OE1 1 1 6 1951 1 1 19 HIS C C 12.156 3.604 2.354 1.00 . A A . 19 HIS C 1 1 6 1952 1 1 19 HIS CA C 10.796 4.151 1.875 1.00 . A A . 19 HIS CA 1 1 6 1953 1 1 19 HIS CB C 10.630 5.678 2.007 1.00 . A A . 19 HIS CB 1 1 6 1954 1 1 19 HIS CD2 C 9.739 7.356 3.731 1.00 . A A . 19 HIS CD2 1 1 6 1955 1 1 19 HIS CE1 C 10.445 6.391 5.604 1.00 . A A . 19 HIS CE1 1 1 6 1956 1 1 19 HIS CG C 10.422 6.219 3.406 1.00 . A A . 19 HIS CG 1 1 6 1957 1 1 19 HIS H H 8.850 3.305 1.745 1.00 . A A . 19 HIS H 1 1 6 1958 1 1 19 HIS HA H 10.770 3.972 0.806 1.00 . A A . 19 HIS HA 1 1 6 1959 1 1 19 HIS HB2 H 11.513 6.157 1.581 1.00 . A A . 19 HIS HB2 1 1 6 1960 1 1 19 HIS HB3 H 9.767 5.966 1.401 1.00 . A A . 19 HIS HB3 1 1 6 1961 1 1 19 HIS HD1 H 11.344 4.729 4.589 1.00 . A A . 19 HIS HD1 1 1 6 1962 1 1 19 HIS HD2 H 9.258 8.022 3.022 1.00 . A A . 19 HIS HD2 1 1 6 1963 1 1 19 HIS HE1 H 10.601 6.133 6.648 1.00 . A A . 19 HIS HE1 1 1 6 1964 1 1 19 HIS HE2 H 9.320 8.177 5.666 1.00 . A A . 19 HIS HE2 1 1 6 1965 1 1 19 HIS N N 9.607 3.466 2.403 1.00 . A A . 19 HIS N 1 1 6 1966 1 1 19 HIS ND1 N 10.863 5.637 4.574 1.00 . A A . 19 HIS ND1 1 1 6 1967 1 1 19 HIS NE2 N 9.768 7.454 5.115 1.00 . A A . 19 HIS NE2 1 1 6 1968 1 1 19 HIS O O 12.785 4.180 3.246 1.00 . A A . 19 HIS O 1 1 6 1969 1 1 20 ALA C C 14.028 0.757 0.858 1.00 . A A . 20 ALA C 1 1 6 1970 1 1 20 ALA CA C 13.901 1.852 1.939 1.00 . A A . 20 ALA CA 1 1 6 1971 1 1 20 ALA CB C 14.024 1.249 3.356 1.00 . A A . 20 ALA CB 1 1 6 1972 1 1 20 ALA H H 12.057 2.209 0.959 1.00 . A A . 20 ALA H 1 1 6 1973 1 1 20 ALA HA H 14.671 2.604 1.778 1.00 . A A . 20 ALA HA 1 1 6 1974 1 1 20 ALA HB1 H 15.011 0.817 3.503 1.00 . A A . 20 ALA HB1 1 1 6 1975 1 1 20 ALA HB2 H 13.871 2.021 4.110 1.00 . A A . 20 ALA HB2 1 1 6 1976 1 1 20 ALA HB3 H 13.284 0.464 3.500 1.00 . A A . 20 ALA HB3 1 1 6 1977 1 1 20 ALA N N 12.589 2.488 1.789 1.00 . A A . 20 ALA N 1 1 6 1978 1 1 20 ALA O O 13.002 0.237 0.443 1.00 . A A . 20 ALA O 1 1 6 1979 1 1 21 PRO C C 14.830 -2.096 -0.485 1.00 . A A . 21 PRO C 1 1 6 1980 1 1 21 PRO CA C 15.398 -0.659 -0.660 1.00 . A A . 21 PRO CA 1 1 6 1981 1 1 21 PRO CB C 16.904 -0.623 -0.963 1.00 . A A . 21 PRO CB 1 1 6 1982 1 1 21 PRO CD C 16.519 0.700 0.982 1.00 . A A . 21 PRO CD 1 1 6 1983 1 1 21 PRO CG C 17.538 -0.260 0.377 1.00 . A A . 21 PRO CG 1 1 6 1984 1 1 21 PRO HA H 14.876 -0.232 -1.520 1.00 . A A . 21 PRO HA 1 1 6 1985 1 1 21 PRO HB2 H 17.290 -1.567 -1.351 1.00 . A A . 21 PRO HB2 1 1 6 1986 1 1 21 PRO HB3 H 17.102 0.179 -1.677 1.00 . A A . 21 PRO HB3 1 1 6 1987 1 1 21 PRO HD2 H 16.575 0.645 2.067 1.00 . A A . 21 PRO HD2 1 1 6 1988 1 1 21 PRO HD3 H 16.723 1.718 0.647 1.00 . A A . 21 PRO HD3 1 1 6 1989 1 1 21 PRO HG2 H 17.617 -1.154 0.996 1.00 . A A . 21 PRO HG2 1 1 6 1990 1 1 21 PRO HG3 H 18.512 0.214 0.252 1.00 . A A . 21 PRO HG3 1 1 6 1991 1 1 21 PRO N N 15.225 0.268 0.478 1.00 . A A . 21 PRO N 1 1 6 1992 1 1 21 PRO O O 15.223 -3.012 -1.203 1.00 . A A . 21 PRO O 1 1 6 1993 1 1 22 LEU C C 11.596 -3.034 1.042 1.00 . A A . 22 LEU C 1 1 6 1994 1 1 22 LEU CA C 13.044 -3.473 0.686 1.00 . A A . 22 LEU CA 1 1 6 1995 1 1 22 LEU CB C 13.649 -4.368 1.791 1.00 . A A . 22 LEU CB 1 1 6 1996 1 1 22 LEU CD1 C 15.589 -5.650 2.738 1.00 . A A . 22 LEU CD1 1 1 6 1997 1 1 22 LEU CD2 C 14.988 -6.002 0.369 1.00 . A A . 22 LEU CD2 1 1 6 1998 1 1 22 LEU CG C 15.038 -4.960 1.488 1.00 . A A . 22 LEU CG 1 1 6 1999 1 1 22 LEU H H 13.621 -1.449 0.918 1.00 . A A . 22 LEU H 1 1 6 2000 1 1 22 LEU HA H 12.976 -4.045 -0.239 1.00 . A A . 22 LEU HA 1 1 6 2001 1 1 22 LEU HB2 H 13.714 -3.778 2.705 1.00 . A A . 22 LEU HB2 1 1 6 2002 1 1 22 LEU HB3 H 12.967 -5.197 1.983 1.00 . A A . 22 LEU HB3 1 1 6 2003 1 1 22 LEU HD11 H 15.673 -4.922 3.546 1.00 . A A . 22 LEU HD11 1 1 6 2004 1 1 22 LEU HD12 H 16.578 -6.055 2.524 1.00 . A A . 22 LEU HD12 1 1 6 2005 1 1 22 LEU HD13 H 14.921 -6.457 3.043 1.00 . A A . 22 LEU HD13 1 1 6 2006 1 1 22 LEU HD21 H 14.684 -5.528 -0.563 1.00 . A A . 22 LEU HD21 1 1 6 2007 1 1 22 LEU HD22 H 14.278 -6.789 0.616 1.00 . A A . 22 LEU HD22 1 1 6 2008 1 1 22 LEU HD23 H 15.975 -6.435 0.220 1.00 . A A . 22 LEU HD23 1 1 6 2009 1 1 22 LEU HG H 15.736 -4.170 1.215 1.00 . A A . 22 LEU HG 1 1 6 2010 1 1 22 LEU N N 13.918 -2.306 0.472 1.00 . A A . 22 LEU N 1 1 6 2011 1 1 22 LEU O O 10.858 -3.767 1.690 1.00 . A A . 22 LEU O 1 1 6 2012 1 1 23 ALA C C 9.714 0.122 0.243 1.00 . A A . 23 ALA C 1 1 6 2013 1 1 23 ALA CA C 10.087 -1.022 1.215 1.00 . A A . 23 ALA CA 1 1 6 2014 1 1 23 ALA CB C 10.485 -0.461 2.588 1.00 . A A . 23 ALA CB 1 1 6 2015 1 1 23 ALA H H 11.878 -1.238 0.175 1.00 . A A . 23 ALA H 1 1 6 2016 1 1 23 ALA HA H 9.215 -1.668 1.306 1.00 . A A . 23 ALA HA 1 1 6 2017 1 1 23 ALA HB1 H 9.706 0.206 2.956 1.00 . A A . 23 ALA HB1 1 1 6 2018 1 1 23 ALA HB2 H 10.660 -1.281 3.286 1.00 . A A . 23 ALA HB2 1 1 6 2019 1 1 23 ALA HB3 H 11.389 0.129 2.480 1.00 . A A . 23 ALA HB3 1 1 6 2020 1 1 23 ALA N N 11.228 -1.797 0.719 1.00 . A A . 23 ALA N 1 1 6 2021 1 1 23 ALA O O 9.119 1.119 0.662 1.00 . A A . 23 ALA O 1 1 6 2022 1 1 24 ASP C C 9.146 -0.003 -3.276 1.00 . A A . 24 ASP C 1 1 6 2023 1 1 24 ASP CA C 9.892 0.807 -2.194 1.00 . A A . 24 ASP CA 1 1 6 2024 1 1 24 ASP CB C 11.257 1.314 -2.734 1.00 . A A . 24 ASP CB 1 1 6 2025 1 1 24 ASP CG C 12.169 2.097 -1.760 1.00 . A A . 24 ASP CG 1 1 6 2026 1 1 24 ASP H H 10.369 -0.979 -1.308 1.00 . A A . 24 ASP H 1 1 6 2027 1 1 24 ASP HA H 9.279 1.667 -1.927 1.00 . A A . 24 ASP HA 1 1 6 2028 1 1 24 ASP HB2 H 11.813 0.450 -3.104 1.00 . A A . 24 ASP HB2 1 1 6 2029 1 1 24 ASP HB3 H 11.057 1.960 -3.589 1.00 . A A . 24 ASP HB3 1 1 6 2030 1 1 24 ASP N N 10.097 -0.050 -1.023 1.00 . A A . 24 ASP N 1 1 6 2031 1 1 24 ASP O O 9.141 -1.257 -3.166 1.00 . A A . 24 ASP O 1 1 6 2032 1 1 24 ASP OXT O 8.558 0.628 -4.181 1.00 . A A . 24 ASP OXT 1 1 6 2033 1 1 24 ASP OD1 O 11.665 2.775 -0.834 1.00 . A A . 24 ASP OD1 1 1 6 2034 1 1 24 ASP OD2 O 13.413 2.049 -1.925 1.00 . A A . 24 ASP OD2 1 1 7 2035 1 1 1 GLY C C 1.724 -0.153 -2.126 1.00 . A A . 1 GLY C 1 1 7 2036 1 1 1 GLY CA C 0.723 0.732 -1.352 1.00 . A A . 1 GLY CA 1 1 7 2037 1 1 1 GLY H1 H 1.056 1.953 0.277 1.00 . A A . 1 GLY H1 1 1 7 2038 1 1 1 GLY HA2 H -0.242 0.257 -1.502 1.00 . A A . 1 GLY HA2 1 1 7 2039 1 1 1 GLY HA3 H 0.693 1.701 -1.831 1.00 . A A . 1 GLY HA3 1 1 7 2040 1 1 1 GLY N N 0.884 0.973 0.099 1.00 . A A . 1 GLY N 1 1 7 2041 1 1 1 GLY O O 1.853 -1.330 -1.801 1.00 . A A . 1 GLY O 1 1 7 2042 1 1 2 PRO C C 4.370 -1.000 -3.929 1.00 . A A . 2 PRO C 1 1 7 2043 1 1 2 PRO CA C 2.913 -0.621 -4.265 1.00 . A A . 2 PRO CA 1 1 7 2044 1 1 2 PRO CB C 2.782 0.092 -5.612 1.00 . A A . 2 PRO CB 1 1 7 2045 1 1 2 PRO CD C 2.080 1.590 -3.888 1.00 . A A . 2 PRO CD 1 1 7 2046 1 1 2 PRO CG C 2.828 1.564 -5.221 1.00 . A A . 2 PRO CG 1 1 7 2047 1 1 2 PRO HA H 2.354 -1.548 -4.339 1.00 . A A . 2 PRO HA 1 1 7 2048 1 1 2 PRO HB2 H 3.578 -0.174 -6.308 1.00 . A A . 2 PRO HB2 1 1 7 2049 1 1 2 PRO HB3 H 1.810 -0.139 -6.048 1.00 . A A . 2 PRO HB3 1 1 7 2050 1 1 2 PRO HD2 H 2.480 2.370 -3.239 1.00 . A A . 2 PRO HD2 1 1 7 2051 1 1 2 PRO HD3 H 1.019 1.765 -4.074 1.00 . A A . 2 PRO HD3 1 1 7 2052 1 1 2 PRO HG2 H 3.864 1.867 -5.069 1.00 . A A . 2 PRO HG2 1 1 7 2053 1 1 2 PRO HG3 H 2.344 2.194 -5.967 1.00 . A A . 2 PRO HG3 1 1 7 2054 1 1 2 PRO N N 2.260 0.273 -3.293 1.00 . A A . 2 PRO N 1 1 7 2055 1 1 2 PRO O O 5.323 -0.364 -4.376 1.00 . A A . 2 PRO O 1 1 7 2056 1 1 3 THR C C 5.423 -4.213 -2.356 1.00 . A A . 3 THR C 1 1 7 2057 1 1 3 THR CA C 5.803 -2.750 -2.747 1.00 . A A . 3 THR CA 1 1 7 2058 1 1 3 THR CB C 6.404 -1.862 -1.631 1.00 . A A . 3 THR CB 1 1 7 2059 1 1 3 THR CG2 C 7.532 -2.371 -0.751 1.00 . A A . 3 THR CG2 1 1 7 2060 1 1 3 THR H H 3.717 -2.500 -2.770 1.00 . A A . 3 THR H 1 1 7 2061 1 1 3 THR HA H 6.510 -2.793 -3.574 1.00 . A A . 3 THR HA 1 1 7 2062 1 1 3 THR HB H 5.597 -1.550 -0.981 1.00 . A A . 3 THR HB 1 1 7 2063 1 1 3 THR HG1 H 6.360 -0.429 -2.929 1.00 . A A . 3 THR HG1 1 1 7 2064 1 1 3 THR HG21 H 8.425 -2.543 -1.347 1.00 . A A . 3 THR HG21 1 1 7 2065 1 1 3 THR HG22 H 7.210 -3.256 -0.218 1.00 . A A . 3 THR HG22 1 1 7 2066 1 1 3 THR HG23 H 7.782 -1.611 -0.018 1.00 . A A . 3 THR HG23 1 1 7 2067 1 1 3 THR N N 4.549 -2.079 -3.167 1.00 . A A . 3 THR N 1 1 7 2068 1 1 3 THR O O 4.264 -4.580 -2.582 1.00 . A A . 3 THR O 1 1 7 2069 1 1 3 THR OG1 O 6.976 -0.726 -2.237 1.00 . A A . 3 THR OG1 1 1 7 2070 1 1 4 PRO C C 5.877 -6.538 0.206 1.00 . A A . 4 PRO C 1 1 7 2071 1 1 4 PRO CA C 5.923 -6.431 -1.340 1.00 . A A . 4 PRO CA 1 1 7 2072 1 1 4 PRO CB C 6.931 -7.420 -1.937 1.00 . A A . 4 PRO CB 1 1 7 2073 1 1 4 PRO CD C 7.696 -5.221 -2.394 1.00 . A A . 4 PRO CD 1 1 7 2074 1 1 4 PRO CG C 8.213 -6.601 -1.986 1.00 . A A . 4 PRO CG 1 1 7 2075 1 1 4 PRO HA H 4.934 -6.711 -1.698 1.00 . A A . 4 PRO HA 1 1 7 2076 1 1 4 PRO HB2 H 7.050 -8.324 -1.339 1.00 . A A . 4 PRO HB2 1 1 7 2077 1 1 4 PRO HB3 H 6.629 -7.679 -2.953 1.00 . A A . 4 PRO HB3 1 1 7 2078 1 1 4 PRO HD2 H 8.360 -4.470 -1.987 1.00 . A A . 4 PRO HD2 1 1 7 2079 1 1 4 PRO HD3 H 7.690 -5.149 -3.481 1.00 . A A . 4 PRO HD3 1 1 7 2080 1 1 4 PRO HG2 H 8.668 -6.563 -0.996 1.00 . A A . 4 PRO HG2 1 1 7 2081 1 1 4 PRO HG3 H 8.921 -7.001 -2.714 1.00 . A A . 4 PRO HG3 1 1 7 2082 1 1 4 PRO N N 6.322 -5.119 -1.897 1.00 . A A . 4 PRO N 1 1 7 2083 1 1 4 PRO O O 5.681 -7.635 0.725 1.00 . A A . 4 PRO O 1 1 7 2084 1 1 5 MET C C 4.627 -5.411 2.986 1.00 . A A . 5 MET C 1 1 7 2085 1 1 5 MET CA C 6.071 -5.462 2.438 1.00 . A A . 5 MET CA 1 1 7 2086 1 1 5 MET CB C 6.911 -4.281 2.970 1.00 . A A . 5 MET CB 1 1 7 2087 1 1 5 MET CE C 9.510 -4.506 0.990 1.00 . A A . 5 MET CE 1 1 7 2088 1 1 5 MET CG C 8.287 -4.660 3.535 1.00 . A A . 5 MET CG 1 1 7 2089 1 1 5 MET H H 6.033 -4.563 0.489 1.00 . A A . 5 MET H 1 1 7 2090 1 1 5 MET HA H 6.522 -6.391 2.795 1.00 . A A . 5 MET HA 1 1 7 2091 1 1 5 MET HB2 H 7.044 -3.532 2.193 1.00 . A A . 5 MET HB2 1 1 7 2092 1 1 5 MET HB3 H 6.371 -3.802 3.783 1.00 . A A . 5 MET HB3 1 1 7 2093 1 1 5 MET HE1 H 9.513 -3.452 1.262 1.00 . A A . 5 MET HE1 1 1 7 2094 1 1 5 MET HE2 H 10.404 -4.734 0.410 1.00 . A A . 5 MET HE2 1 1 7 2095 1 1 5 MET HE3 H 8.639 -4.727 0.382 1.00 . A A . 5 MET HE3 1 1 7 2096 1 1 5 MET HG2 H 8.773 -3.742 3.868 1.00 . A A . 5 MET HG2 1 1 7 2097 1 1 5 MET HG3 H 8.131 -5.278 4.419 1.00 . A A . 5 MET HG3 1 1 7 2098 1 1 5 MET N N 6.082 -5.452 0.960 1.00 . A A . 5 MET N 1 1 7 2099 1 1 5 MET O O 3.697 -5.042 2.279 1.00 . A A . 5 MET O 1 1 7 2100 1 1 5 MET SD S 9.460 -5.544 2.469 1.00 . A A . 5 MET SD 1 1 7 2101 1 1 6 VAL C C 2.768 -4.631 5.827 1.00 . A A . 6 VAL C 1 1 7 2102 1 1 6 VAL CA C 3.040 -5.778 4.846 1.00 . A A . 6 VAL CA 1 1 7 2103 1 1 6 VAL CB C 2.726 -7.183 5.398 1.00 . A A . 6 VAL CB 1 1 7 2104 1 1 6 VAL CG1 C 3.538 -7.602 6.629 1.00 . A A . 6 VAL CG1 1 1 7 2105 1 1 6 VAL CG2 C 1.235 -7.313 5.726 1.00 . A A . 6 VAL CG2 1 1 7 2106 1 1 6 VAL H H 5.186 -5.993 4.845 1.00 . A A . 6 VAL H 1 1 7 2107 1 1 6 VAL HA H 2.325 -5.645 4.034 1.00 . A A . 6 VAL HA 1 1 7 2108 1 1 6 VAL HB H 2.939 -7.897 4.600 1.00 . A A . 6 VAL HB 1 1 7 2109 1 1 6 VAL HG11 H 3.319 -8.642 6.872 1.00 . A A . 6 VAL HG11 1 1 7 2110 1 1 6 VAL HG12 H 4.606 -7.512 6.426 1.00 . A A . 6 VAL HG12 1 1 7 2111 1 1 6 VAL HG13 H 3.281 -6.981 7.488 1.00 . A A . 6 VAL HG13 1 1 7 2112 1 1 6 VAL HG21 H 0.965 -6.646 6.544 1.00 . A A . 6 VAL HG21 1 1 7 2113 1 1 6 VAL HG22 H 0.638 -7.079 4.845 1.00 . A A . 6 VAL HG22 1 1 7 2114 1 1 6 VAL HG23 H 1.021 -8.339 6.023 1.00 . A A . 6 VAL HG23 1 1 7 2115 1 1 6 VAL N N 4.401 -5.722 4.268 1.00 . A A . 6 VAL N 1 1 7 2116 1 1 6 VAL O O 3.441 -4.485 6.843 1.00 . A A . 6 VAL O 1 1 7 2117 1 1 7 GLY C C 1.560 -1.293 5.692 1.00 . A A . 7 GLY C 1 1 7 2118 1 1 7 GLY CA C 1.352 -2.660 6.351 1.00 . A A . 7 GLY CA 1 1 7 2119 1 1 7 GLY H H 1.325 -3.906 4.618 1.00 . A A . 7 GLY H 1 1 7 2120 1 1 7 GLY HA2 H 0.291 -2.771 6.573 1.00 . A A . 7 GLY HA2 1 1 7 2121 1 1 7 GLY HA3 H 1.896 -2.674 7.296 1.00 . A A . 7 GLY HA3 1 1 7 2122 1 1 7 GLY N N 1.774 -3.790 5.515 1.00 . A A . 7 GLY N 1 1 7 2123 1 1 7 GLY O O 1.631 -1.179 4.469 1.00 . A A . 7 GLY O 1 1 7 2124 1 1 8 LEU C C 0.728 1.813 5.368 1.00 . A A . 8 LEU C 1 1 7 2125 1 1 8 LEU CA C 1.861 1.164 6.190 1.00 . A A . 8 LEU CA 1 1 7 2126 1 1 8 LEU CB C 3.264 1.307 5.553 1.00 . A A . 8 LEU CB 1 1 7 2127 1 1 8 LEU CD1 C 3.195 3.882 5.296 1.00 . A A . 8 LEU CD1 1 1 7 2128 1 1 8 LEU CD2 C 4.572 2.856 7.094 1.00 . A A . 8 LEU CD2 1 1 7 2129 1 1 8 LEU CG C 4.001 2.651 5.690 1.00 . A A . 8 LEU CG 1 1 7 2130 1 1 8 LEU H H 1.557 -0.471 7.506 1.00 . A A . 8 LEU H 1 1 7 2131 1 1 8 LEU HA H 1.880 1.705 7.138 1.00 . A A . 8 LEU HA 1 1 7 2132 1 1 8 LEU HB2 H 3.918 0.563 6.004 1.00 . A A . 8 LEU HB2 1 1 7 2133 1 1 8 LEU HB3 H 3.200 1.061 4.493 1.00 . A A . 8 LEU HB3 1 1 7 2134 1 1 8 LEU HD11 H 2.695 3.709 4.344 1.00 . A A . 8 LEU HD11 1 1 7 2135 1 1 8 LEU HD12 H 3.863 4.735 5.184 1.00 . A A . 8 LEU HD12 1 1 7 2136 1 1 8 LEU HD13 H 2.450 4.106 6.060 1.00 . A A . 8 LEU HD13 1 1 7 2137 1 1 8 LEU HD21 H 5.155 3.776 7.128 1.00 . A A . 8 LEU HD21 1 1 7 2138 1 1 8 LEU HD22 H 5.224 2.017 7.345 1.00 . A A . 8 LEU HD22 1 1 7 2139 1 1 8 LEU HD23 H 3.764 2.915 7.824 1.00 . A A . 8 LEU HD23 1 1 7 2140 1 1 8 LEU HG H 4.845 2.609 5.010 1.00 . A A . 8 LEU HG 1 1 7 2141 1 1 8 LEU N N 1.626 -0.248 6.526 1.00 . A A . 8 LEU N 1 1 7 2142 1 1 8 LEU O O 0.125 2.761 5.863 1.00 . A A . 8 LEU O 1 1 7 2143 1 1 9 ASP C C -1.439 2.934 3.542 1.00 . A A . 9 ASP C 1 1 7 2144 1 1 9 ASP CA C -0.242 2.081 3.075 1.00 . A A . 9 ASP CA 1 1 7 2145 1 1 9 ASP CB C -0.783 1.173 1.944 1.00 . A A . 9 ASP CB 1 1 7 2146 1 1 9 ASP CG C 0.176 0.364 1.056 1.00 . A A . 9 ASP CG 1 1 7 2147 1 1 9 ASP H H 0.896 0.452 3.920 1.00 . A A . 9 ASP H 1 1 7 2148 1 1 9 ASP HA H 0.490 2.771 2.671 1.00 . A A . 9 ASP HA 1 1 7 2149 1 1 9 ASP HB2 H -1.490 0.475 2.400 1.00 . A A . 9 ASP HB2 1 1 7 2150 1 1 9 ASP HB3 H -1.369 1.798 1.273 1.00 . A A . 9 ASP HB3 1 1 7 2151 1 1 9 ASP N N 0.429 1.324 4.154 1.00 . A A . 9 ASP N 1 1 7 2152 1 1 9 ASP O O -1.507 4.133 3.292 1.00 . A A . 9 ASP O 1 1 7 2153 1 1 9 ASP OD1 O -0.117 -0.847 0.963 1.00 . A A . 9 ASP OD1 1 1 7 2154 1 1 10 SER C C -4.630 3.549 3.730 1.00 . A A . 10 SER C 1 1 7 2155 1 1 10 SER CA C -3.675 2.857 4.728 1.00 . A A . 10 SER CA 1 1 7 2156 1 1 10 SER CB C -3.379 3.786 5.914 1.00 . A A . 10 SER CB 1 1 7 2157 1 1 10 SER H H -2.230 1.322 4.381 1.00 . A A . 10 SER H 1 1 7 2158 1 1 10 SER HA H -4.241 2.023 5.140 1.00 . A A . 10 SER HA 1 1 7 2159 1 1 10 SER HB2 H -2.982 4.731 5.544 1.00 . A A . 10 SER HB2 1 1 7 2160 1 1 10 SER HB3 H -4.307 3.985 6.453 1.00 . A A . 10 SER HB3 1 1 7 2161 1 1 10 SER HG H -1.596 3.108 6.361 1.00 . A A . 10 SER HG 1 1 7 2162 1 1 10 SER N N -2.419 2.294 4.191 1.00 . A A . 10 SER N 1 1 7 2163 1 1 10 SER O O -5.822 3.617 4.013 1.00 . A A . 10 SER O 1 1 7 2164 1 1 10 SER OG O -2.455 3.200 6.815 1.00 . A A . 10 SER OG 1 1 7 2165 1 1 11 VAL C C -4.606 4.096 0.118 1.00 . A A . 11 VAL C 1 1 7 2166 1 1 11 VAL CA C -4.963 4.650 1.497 1.00 . A A . 11 VAL CA 1 1 7 2167 1 1 11 VAL CB C -4.817 6.186 1.483 1.00 . A A . 11 VAL CB 1 1 7 2168 1 1 11 VAL CG1 C -5.875 6.815 0.565 1.00 . A A . 11 VAL CG1 1 1 7 2169 1 1 11 VAL CG2 C -4.970 6.816 2.872 1.00 . A A . 11 VAL CG2 1 1 7 2170 1 1 11 VAL H H -3.145 4.028 2.504 1.00 . A A . 11 VAL H 1 1 7 2171 1 1 11 VAL HA H -6.012 4.412 1.671 1.00 . A A . 11 VAL HA 1 1 7 2172 1 1 11 VAL HB H -3.828 6.447 1.103 1.00 . A A . 11 VAL HB 1 1 7 2173 1 1 11 VAL HG11 H -5.754 7.898 0.549 1.00 . A A . 11 VAL HG11 1 1 7 2174 1 1 11 VAL HG12 H -5.762 6.444 -0.455 1.00 . A A . 11 VAL HG12 1 1 7 2175 1 1 11 VAL HG13 H -6.877 6.567 0.921 1.00 . A A . 11 VAL HG13 1 1 7 2176 1 1 11 VAL HG21 H -4.133 6.522 3.505 1.00 . A A . 11 VAL HG21 1 1 7 2177 1 1 11 VAL HG22 H -4.960 7.902 2.790 1.00 . A A . 11 VAL HG22 1 1 7 2178 1 1 11 VAL HG23 H -5.904 6.490 3.331 1.00 . A A . 11 VAL HG23 1 1 7 2179 1 1 11 VAL N N -4.158 4.017 2.566 1.00 . A A . 11 VAL N 1 1 7 2180 1 1 11 VAL O O -5.481 3.661 -0.618 1.00 . A A . 11 VAL O 1 1 7 2181 1 1 12 SER C C -2.896 1.778 -1.302 1.00 . A A . 12 SER C 1 1 7 2182 1 1 12 SER CA C -2.709 3.318 -1.343 1.00 . A A . 12 SER CA 1 1 7 2183 1 1 12 SER CB C -1.219 3.672 -1.304 1.00 . A A . 12 SER CB 1 1 7 2184 1 1 12 SER H H -2.653 4.407 0.473 1.00 . A A . 12 SER H 1 1 7 2185 1 1 12 SER HA H -3.143 3.699 -2.265 1.00 . A A . 12 SER HA 1 1 7 2186 1 1 12 SER HB2 H -1.095 4.657 -0.851 1.00 . A A . 12 SER HB2 1 1 7 2187 1 1 12 SER HB3 H -0.740 2.942 -0.661 1.00 . A A . 12 SER HB3 1 1 7 2188 1 1 12 SER HG H 0.410 3.819 -2.264 1.00 . A A . 12 SER HG 1 1 7 2189 1 1 12 SER N N -3.308 4.013 -0.186 1.00 . A A . 12 SER N 1 1 7 2190 1 1 12 SER O O -2.363 1.056 -2.134 1.00 . A A . 12 SER O 1 1 7 2191 1 1 12 SER OG O -0.528 3.709 -2.531 1.00 . A A . 12 SER OG 1 1 7 2192 1 1 13 GLY C C -3.508 -1.233 -0.757 1.00 . A A . 13 GLY C 1 1 7 2193 1 1 13 GLY CA C -3.862 -0.084 0.184 1.00 . A A . 13 GLY CA 1 1 7 2194 1 1 13 GLY H H -4.086 2.010 0.230 1.00 . A A . 13 GLY H 1 1 7 2195 1 1 13 GLY HA2 H -3.317 -0.234 1.114 1.00 . A A . 13 GLY HA2 1 1 7 2196 1 1 13 GLY HA3 H -4.923 -0.178 0.410 1.00 . A A . 13 GLY HA3 1 1 7 2197 1 1 13 GLY N N -3.614 1.287 -0.281 1.00 . A A . 13 GLY N 1 1 7 2198 1 1 13 GLY O O -4.370 -1.706 -1.493 1.00 . A A . 13 GLY O 1 1 7 2199 1 1 14 GLN C C -0.843 -3.709 -0.462 1.00 . A A . 14 GLN C 1 1 7 2200 1 1 14 GLN CA C -1.809 -2.921 -1.370 1.00 . A A . 14 GLN CA 1 1 7 2201 1 1 14 GLN CB C -1.284 -2.478 -2.757 1.00 . A A . 14 GLN CB 1 1 7 2202 1 1 14 GLN CD C 0.338 -4.239 -3.862 1.00 . A A . 14 GLN CD 1 1 7 2203 1 1 14 GLN CG C -1.049 -3.590 -3.794 1.00 . A A . 14 GLN CG 1 1 7 2204 1 1 14 GLN H H -1.617 -1.303 -0.021 1.00 . A A . 14 GLN H 1 1 7 2205 1 1 14 GLN HA H -2.671 -3.572 -1.530 1.00 . A A . 14 GLN HA 1 1 7 2206 1 1 14 GLN HB2 H -2.065 -1.846 -3.191 1.00 . A A . 14 GLN HB2 1 1 7 2207 1 1 14 GLN HB3 H -0.406 -1.848 -2.661 1.00 . A A . 14 GLN HB3 1 1 7 2208 1 1 14 GLN HE21 H 1.385 -2.798 -2.835 1.00 . A A . 14 GLN HE21 1 1 7 2209 1 1 14 GLN HE22 H 2.224 -4.250 -3.343 1.00 . A A . 14 GLN HE22 1 1 7 2210 1 1 14 GLN HG2 H -1.787 -4.377 -3.635 1.00 . A A . 14 GLN HG2 1 1 7 2211 1 1 14 GLN HG3 H -1.237 -3.163 -4.779 1.00 . A A . 14 GLN HG3 1 1 7 2212 1 1 14 GLN N N -2.272 -1.728 -0.670 1.00 . A A . 14 GLN N 1 1 7 2213 1 1 14 GLN NE2 N 1.408 -3.649 -3.378 1.00 . A A . 14 GLN NE2 1 1 7 2214 1 1 14 GLN O O -1.298 -4.583 0.270 1.00 . A A . 14 GLN O 1 1 7 2215 1 1 14 GLN OE1 O 0.487 -5.313 -4.415 1.00 . A A . 14 GLN OE1 1 1 7 2216 1 1 15 TYR C C 2.749 -2.982 0.398 1.00 . A A . 15 TYR C 1 1 7 2217 1 1 15 TYR CA C 1.559 -3.978 0.271 1.00 . A A . 15 TYR CA 1 1 7 2218 1 1 15 TYR CB C 1.972 -5.315 -0.395 1.00 . A A . 15 TYR CB 1 1 7 2219 1 1 15 TYR CD1 C 1.130 -7.180 1.087 1.00 . A A . 15 TYR CD1 1 1 7 2220 1 1 15 TYR CD2 C 0.168 -6.949 -1.140 1.00 . A A . 15 TYR CD2 1 1 7 2221 1 1 15 TYR CE1 C 0.281 -8.274 1.345 1.00 . A A . 15 TYR CE1 1 1 7 2222 1 1 15 TYR CE2 C -0.691 -8.034 -0.885 1.00 . A A . 15 TYR CE2 1 1 7 2223 1 1 15 TYR CG C 1.059 -6.501 -0.143 1.00 . A A . 15 TYR CG 1 1 7 2224 1 1 15 TYR CZ C -0.642 -8.690 0.362 1.00 . A A . 15 TYR CZ 1 1 7 2225 1 1 15 TYR H H 0.680 -2.514 -0.958 1.00 . A A . 15 TYR H 1 1 7 2226 1 1 15 TYR HA H 1.225 -4.212 1.280 1.00 . A A . 15 TYR HA 1 1 7 2227 1 1 15 TYR HB2 H 2.063 -5.172 -1.463 1.00 . A A . 15 TYR HB2 1 1 7 2228 1 1 15 TYR HB3 H 2.959 -5.606 -0.044 1.00 . A A . 15 TYR HB3 1 1 7 2229 1 1 15 TYR HD1 H 1.849 -6.855 1.824 1.00 . A A . 15 TYR HD1 1 1 7 2230 1 1 15 TYR HD2 H 0.134 -6.449 -2.096 1.00 . A A . 15 TYR HD2 1 1 7 2231 1 1 15 TYR HE1 H 0.339 -8.787 2.291 1.00 . A A . 15 TYR HE1 1 1 7 2232 1 1 15 TYR HE2 H -1.395 -8.370 -1.630 1.00 . A A . 15 TYR HE2 1 1 7 2233 1 1 15 TYR HH H -1.310 -10.085 1.487 1.00 . A A . 15 TYR HH 1 1 7 2234 1 1 15 TYR N N 0.447 -3.367 -0.469 1.00 . A A . 15 TYR N 1 1 7 2235 1 1 15 TYR O O 3.837 -3.236 -0.120 1.00 . A A . 15 TYR O 1 1 7 2236 1 1 15 TYR OH O -1.471 -9.739 0.610 1.00 . A A . 15 TYR OH 1 1 7 2237 1 1 16 TRP C C 3.855 0.366 0.772 1.00 . A A . 16 TRP C 1 1 7 2238 1 1 16 TRP CA C 3.531 -0.878 1.648 1.00 . A A . 16 TRP CA 1 1 7 2239 1 1 16 TRP CB C 4.810 -1.638 2.026 1.00 . A A . 16 TRP CB 1 1 7 2240 1 1 16 TRP CD1 C 6.934 -0.388 2.509 1.00 . A A . 16 TRP CD1 1 1 7 2241 1 1 16 TRP CD2 C 5.914 -1.127 4.371 1.00 . A A . 16 TRP CD2 1 1 7 2242 1 1 16 TRP CE2 C 7.140 -0.531 4.777 1.00 . A A . 16 TRP CE2 1 1 7 2243 1 1 16 TRP CE3 C 5.118 -1.715 5.374 1.00 . A A . 16 TRP CE3 1 1 7 2244 1 1 16 TRP CG C 5.813 -1.012 2.924 1.00 . A A . 16 TRP CG 1 1 7 2245 1 1 16 TRP CH2 C 6.687 -0.999 7.106 1.00 . A A . 16 TRP CH2 1 1 7 2246 1 1 16 TRP CZ2 C 7.514 -0.429 6.124 1.00 . A A . 16 TRP CZ2 1 1 7 2247 1 1 16 TRP CZ3 C 5.502 -1.656 6.728 1.00 . A A . 16 TRP CZ3 1 1 7 2248 1 1 16 TRP H H 1.559 -1.699 1.318 1.00 . A A . 16 TRP H 1 1 7 2249 1 1 16 TRP HA H 3.114 -0.505 2.580 1.00 . A A . 16 TRP HA 1 1 7 2250 1 1 16 TRP HB2 H 4.513 -2.566 2.512 1.00 . A A . 16 TRP HB2 1 1 7 2251 1 1 16 TRP HB3 H 5.348 -1.900 1.122 1.00 . A A . 16 TRP HB3 1 1 7 2252 1 1 16 TRP HD1 H 7.192 -0.189 1.474 1.00 . A A . 16 TRP HD1 1 1 7 2253 1 1 16 TRP HE1 H 8.699 0.166 3.497 1.00 . A A . 16 TRP HE1 1 1 7 2254 1 1 16 TRP HE3 H 4.220 -2.239 5.082 1.00 . A A . 16 TRP HE3 1 1 7 2255 1 1 16 TRP HH2 H 6.984 -0.987 8.146 1.00 . A A . 16 TRP HH2 1 1 7 2256 1 1 16 TRP HZ2 H 8.450 0.026 6.397 1.00 . A A . 16 TRP HZ2 1 1 7 2257 1 1 16 TRP HZ3 H 4.899 -2.152 7.478 1.00 . A A . 16 TRP HZ3 1 1 7 2258 1 1 16 TRP N N 2.538 -1.842 1.089 1.00 . A A . 16 TRP N 1 1 7 2259 1 1 16 TRP NE1 N 7.755 -0.179 3.595 1.00 . A A . 16 TRP NE1 1 1 7 2260 1 1 16 TRP O O 4.160 0.260 -0.408 1.00 . A A . 16 TRP O 1 1 7 2261 1 1 17 ASP C C 5.550 3.450 1.200 1.00 . A A . 17 ASP C 1 1 7 2262 1 1 17 ASP CA C 4.205 2.861 0.711 1.00 . A A . 17 ASP CA 1 1 7 2263 1 1 17 ASP CB C 3.141 3.948 0.995 1.00 . A A . 17 ASP CB 1 1 7 2264 1 1 17 ASP CG C 1.873 3.893 0.144 1.00 . A A . 17 ASP CG 1 1 7 2265 1 1 17 ASP H H 3.522 1.603 2.320 1.00 . A A . 17 ASP H 1 1 7 2266 1 1 17 ASP HA H 4.275 2.732 -0.373 1.00 . A A . 17 ASP HA 1 1 7 2267 1 1 17 ASP HB2 H 2.874 3.898 2.052 1.00 . A A . 17 ASP HB2 1 1 7 2268 1 1 17 ASP HB3 H 3.567 4.938 0.831 1.00 . A A . 17 ASP HB3 1 1 7 2269 1 1 17 ASP N N 3.835 1.574 1.366 1.00 . A A . 17 ASP N 1 1 7 2270 1 1 17 ASP O O 5.985 4.500 0.722 1.00 . A A . 17 ASP O 1 1 7 2271 1 1 17 ASP OD1 O 1.930 3.798 -1.102 1.00 . A A . 17 ASP OD1 1 1 7 2272 1 1 17 ASP OD2 O 0.795 3.929 0.769 1.00 . A A . 17 ASP OD2 1 1 7 2273 1 1 18 GLN C C 8.498 3.803 2.024 1.00 . A A . 18 GLN C 1 1 7 2274 1 1 18 GLN CA C 7.274 3.578 2.929 1.00 . A A . 18 GLN CA 1 1 7 2275 1 1 18 GLN CB C 7.688 2.819 4.196 1.00 . A A . 18 GLN CB 1 1 7 2276 1 1 18 GLN CD C 9.588 3.558 5.688 1.00 . A A . 18 GLN CD 1 1 7 2277 1 1 18 GLN CG C 8.103 3.703 5.381 1.00 . A A . 18 GLN CG 1 1 7 2278 1 1 18 GLN H H 5.868 1.966 2.528 1.00 . A A . 18 GLN H 1 1 7 2279 1 1 18 GLN HA H 6.874 4.551 3.215 1.00 . A A . 18 GLN HA 1 1 7 2280 1 1 18 GLN HB2 H 6.864 2.196 4.527 1.00 . A A . 18 GLN HB2 1 1 7 2281 1 1 18 GLN HB3 H 8.524 2.167 3.947 1.00 . A A . 18 GLN HB3 1 1 7 2282 1 1 18 GLN HE21 H 9.314 2.111 7.089 1.00 . A A . 18 GLN HE21 1 1 7 2283 1 1 18 GLN HE22 H 10.966 2.546 6.697 1.00 . A A . 18 GLN HE22 1 1 7 2284 1 1 18 GLN HG2 H 7.880 4.750 5.177 1.00 . A A . 18 GLN HG2 1 1 7 2285 1 1 18 GLN HG3 H 7.531 3.403 6.259 1.00 . A A . 18 GLN HG3 1 1 7 2286 1 1 18 GLN N N 6.184 2.878 2.232 1.00 . A A . 18 GLN N 1 1 7 2287 1 1 18 GLN NE2 N 9.974 2.683 6.590 1.00 . A A . 18 GLN NE2 1 1 7 2288 1 1 18 GLN O O 8.844 2.966 1.199 1.00 . A A . 18 GLN O 1 1 7 2289 1 1 18 GLN OE1 O 10.423 4.232 5.102 1.00 . A A . 18 GLN OE1 1 1 7 2290 1 1 19 HIS C C 11.624 4.635 1.415 1.00 . A A . 19 HIS C 1 1 7 2291 1 1 19 HIS CA C 10.289 5.425 1.367 1.00 . A A . 19 HIS CA 1 1 7 2292 1 1 19 HIS CB C 10.469 6.935 1.639 1.00 . A A . 19 HIS CB 1 1 7 2293 1 1 19 HIS CD2 C 11.708 8.541 3.192 1.00 . A A . 19 HIS CD2 1 1 7 2294 1 1 19 HIS CE1 C 12.150 7.211 4.909 1.00 . A A . 19 HIS CE1 1 1 7 2295 1 1 19 HIS CG C 11.139 7.324 2.945 1.00 . A A . 19 HIS CG 1 1 7 2296 1 1 19 HIS H H 8.827 5.532 2.936 1.00 . A A . 19 HIS H 1 1 7 2297 1 1 19 HIS HA H 9.941 5.324 0.335 1.00 . A A . 19 HIS HA 1 1 7 2298 1 1 19 HIS HB2 H 11.075 7.343 0.829 1.00 . A A . 19 HIS HB2 1 1 7 2299 1 1 19 HIS HB3 H 9.494 7.424 1.580 1.00 . A A . 19 HIS HB3 1 1 7 2300 1 1 19 HIS HD1 H 11.166 5.518 4.135 1.00 . A A . 19 HIS HD1 1 1 7 2301 1 1 19 HIS HD2 H 11.713 9.380 2.508 1.00 . A A . 19 HIS HD2 1 1 7 2302 1 1 19 HIS HE1 H 12.545 6.809 5.838 1.00 . A A . 19 HIS HE1 1 1 7 2303 1 1 19 HIS HE2 H 12.876 9.191 4.868 1.00 . A A . 19 HIS HE2 1 1 7 2304 1 1 19 HIS N N 9.199 4.924 2.226 1.00 . A A . 19 HIS N 1 1 7 2305 1 1 19 HIS ND1 N 11.422 6.505 4.024 1.00 . A A . 19 HIS ND1 1 1 7 2306 1 1 19 HIS NE2 N 12.331 8.458 4.427 1.00 . A A . 19 HIS NE2 1 1 7 2307 1 1 19 HIS O O 12.690 5.239 1.524 1.00 . A A . 19 HIS O 1 1 7 2308 1 1 20 ALA C C 12.382 1.123 0.569 1.00 . A A . 20 ALA C 1 1 7 2309 1 1 20 ALA CA C 12.729 2.400 1.372 1.00 . A A . 20 ALA CA 1 1 7 2310 1 1 20 ALA CB C 13.080 2.073 2.831 1.00 . A A . 20 ALA CB 1 1 7 2311 1 1 20 ALA H H 10.676 2.873 1.220 1.00 . A A . 20 ALA H 1 1 7 2312 1 1 20 ALA HA H 13.578 2.898 0.904 1.00 . A A . 20 ALA HA 1 1 7 2313 1 1 20 ALA HB1 H 12.237 1.578 3.318 1.00 . A A . 20 ALA HB1 1 1 7 2314 1 1 20 ALA HB2 H 13.943 1.410 2.867 1.00 . A A . 20 ALA HB2 1 1 7 2315 1 1 20 ALA HB3 H 13.319 2.990 3.369 1.00 . A A . 20 ALA HB3 1 1 7 2316 1 1 20 ALA N N 11.583 3.307 1.378 1.00 . A A . 20 ALA N 1 1 7 2317 1 1 20 ALA O O 11.222 0.719 0.582 1.00 . A A . 20 ALA O 1 1 7 2318 1 1 21 PRO C C 12.719 -1.962 -0.223 1.00 . A A . 21 PRO C 1 1 7 2319 1 1 21 PRO CA C 13.067 -0.674 -0.991 1.00 . A A . 21 PRO CA 1 1 7 2320 1 1 21 PRO CB C 14.341 -0.850 -1.825 1.00 . A A . 21 PRO CB 1 1 7 2321 1 1 21 PRO CD C 14.760 0.827 -0.174 1.00 . A A . 21 PRO CD 1 1 7 2322 1 1 21 PRO CG C 15.442 -0.334 -0.899 1.00 . A A . 21 PRO CG 1 1 7 2323 1 1 21 PRO HA H 12.231 -0.448 -1.656 1.00 . A A . 21 PRO HA 1 1 7 2324 1 1 21 PRO HB2 H 14.507 -1.888 -2.117 1.00 . A A . 21 PRO HB2 1 1 7 2325 1 1 21 PRO HB3 H 14.282 -0.213 -2.708 1.00 . A A . 21 PRO HB3 1 1 7 2326 1 1 21 PRO HD2 H 15.179 0.945 0.826 1.00 . A A . 21 PRO HD2 1 1 7 2327 1 1 21 PRO HD3 H 14.890 1.744 -0.750 1.00 . A A . 21 PRO HD3 1 1 7 2328 1 1 21 PRO HG2 H 15.713 -1.110 -0.180 1.00 . A A . 21 PRO HG2 1 1 7 2329 1 1 21 PRO HG3 H 16.319 -0.004 -1.457 1.00 . A A . 21 PRO HG3 1 1 7 2330 1 1 21 PRO N N 13.347 0.480 -0.121 1.00 . A A . 21 PRO N 1 1 7 2331 1 1 21 PRO O O 12.098 -2.863 -0.780 1.00 . A A . 21 PRO O 1 1 7 2332 1 1 22 LEU C C 12.593 -2.289 3.425 1.00 . A A . 22 LEU C 1 1 7 2333 1 1 22 LEU CA C 12.665 -2.992 2.061 1.00 . A A . 22 LEU CA 1 1 7 2334 1 1 22 LEU CB C 13.575 -4.236 2.060 1.00 . A A . 22 LEU CB 1 1 7 2335 1 1 22 LEU CD1 C 15.392 -4.598 3.810 1.00 . A A . 22 LEU CD1 1 1 7 2336 1 1 22 LEU CD2 C 16.006 -4.509 1.414 1.00 . A A . 22 LEU CD2 1 1 7 2337 1 1 22 LEU CG C 15.041 -3.963 2.467 1.00 . A A . 22 LEU CG 1 1 7 2338 1 1 22 LEU H H 13.572 -1.225 1.437 1.00 . A A . 22 LEU H 1 1 7 2339 1 1 22 LEU HA H 11.657 -3.313 1.814 1.00 . A A . 22 LEU HA 1 1 7 2340 1 1 22 LEU HB2 H 13.146 -4.986 2.729 1.00 . A A . 22 LEU HB2 1 1 7 2341 1 1 22 LEU HB3 H 13.544 -4.669 1.059 1.00 . A A . 22 LEU HB3 1 1 7 2342 1 1 22 LEU HD11 H 15.240 -5.680 3.767 1.00 . A A . 22 LEU HD11 1 1 7 2343 1 1 22 LEU HD12 H 14.744 -4.209 4.595 1.00 . A A . 22 LEU HD12 1 1 7 2344 1 1 22 LEU HD13 H 16.429 -4.397 4.073 1.00 . A A . 22 LEU HD13 1 1 7 2345 1 1 22 LEU HD21 H 17.033 -4.299 1.710 1.00 . A A . 22 LEU HD21 1 1 7 2346 1 1 22 LEU HD22 H 15.802 -4.038 0.454 1.00 . A A . 22 LEU HD22 1 1 7 2347 1 1 22 LEU HD23 H 15.871 -5.588 1.326 1.00 . A A . 22 LEU HD23 1 1 7 2348 1 1 22 LEU HG H 15.213 -2.889 2.546 1.00 . A A . 22 LEU HG 1 1 7 2349 1 1 22 LEU N N 13.106 -2.033 1.052 1.00 . A A . 22 LEU N 1 1 7 2350 1 1 22 LEU O O 13.037 -1.143 3.556 1.00 . A A . 22 LEU O 1 1 7 2351 1 1 23 ALA C C 11.905 -3.542 6.874 1.00 . A A . 23 ALA C 1 1 7 2352 1 1 23 ALA CA C 11.878 -2.444 5.789 1.00 . A A . 23 ALA CA 1 1 7 2353 1 1 23 ALA CB C 10.581 -1.632 5.856 1.00 . A A . 23 ALA CB 1 1 7 2354 1 1 23 ALA H H 11.708 -3.900 4.237 1.00 . A A . 23 ALA H 1 1 7 2355 1 1 23 ALA HA H 12.713 -1.777 6.006 1.00 . A A . 23 ALA HA 1 1 7 2356 1 1 23 ALA HB1 H 10.602 -0.833 5.115 1.00 . A A . 23 ALA HB1 1 1 7 2357 1 1 23 ALA HB2 H 9.731 -2.289 5.668 1.00 . A A . 23 ALA HB2 1 1 7 2358 1 1 23 ALA HB3 H 10.479 -1.200 6.852 1.00 . A A . 23 ALA HB3 1 1 7 2359 1 1 23 ALA N N 12.016 -2.955 4.420 1.00 . A A . 23 ALA N 1 1 7 2360 1 1 23 ALA O O 11.819 -3.215 8.056 1.00 . A A . 23 ALA O 1 1 7 2361 1 1 24 ASP C C 13.173 -6.899 6.309 1.00 . A A . 24 ASP C 1 1 7 2362 1 1 24 ASP CA C 12.176 -6.072 7.150 1.00 . A A . 24 ASP CA 1 1 7 2363 1 1 24 ASP CB C 10.775 -6.726 7.269 1.00 . A A . 24 ASP CB 1 1 7 2364 1 1 24 ASP CG C 10.611 -7.824 8.341 1.00 . A A . 24 ASP CG 1 1 7 2365 1 1 24 ASP H H 12.221 -4.996 5.469 1.00 . A A . 24 ASP H 1 1 7 2366 1 1 24 ASP HA H 12.595 -5.920 8.144 1.00 . A A . 24 ASP HA 1 1 7 2367 1 1 24 ASP HB2 H 10.055 -5.942 7.515 1.00 . A A . 24 ASP HB2 1 1 7 2368 1 1 24 ASP HB3 H 10.485 -7.120 6.293 1.00 . A A . 24 ASP HB3 1 1 7 2369 1 1 24 ASP N N 12.031 -4.797 6.442 1.00 . A A . 24 ASP N 1 1 7 2370 1 1 24 ASP O O 14.086 -7.521 6.890 1.00 . A A . 24 ASP O 1 1 7 2371 1 1 24 ASP OXT O 13.109 -6.731 5.061 1.00 . A A . 24 ASP OXT 1 1 7 2372 1 1 24 ASP OD1 O 10.833 -7.517 9.539 1.00 . A A . 24 ASP OD1 1 1 7 2373 1 1 24 ASP OD2 O 10.118 -8.921 7.986 1.00 . A A . 24 ASP OD2 1 1 8 2374 1 1 1 GLY C C 1.986 0.027 -1.883 1.00 . A A . 1 GLY C 1 1 8 2375 1 1 1 GLY CA C 1.274 1.212 -1.201 1.00 . A A . 1 GLY CA 1 1 8 2376 1 1 1 GLY H1 H 0.956 2.170 0.597 1.00 . A A . 1 GLY H1 1 1 8 2377 1 1 1 GLY HA2 H 0.342 1.343 -1.744 1.00 . A A . 1 GLY HA2 1 1 8 2378 1 1 1 GLY HA3 H 1.881 2.092 -1.408 1.00 . A A . 1 GLY HA3 1 1 8 2379 1 1 1 GLY N N 0.965 1.221 0.248 1.00 . A A . 1 GLY N 1 1 8 2380 1 1 1 GLY O O 2.111 -1.060 -1.333 1.00 . A A . 1 GLY O 1 1 8 2381 1 1 2 PRO C C 4.235 -1.338 -3.894 1.00 . A A . 2 PRO C 1 1 8 2382 1 1 2 PRO CA C 2.752 -0.931 -4.043 1.00 . A A . 2 PRO CA 1 1 8 2383 1 1 2 PRO CB C 2.398 -0.435 -5.450 1.00 . A A . 2 PRO CB 1 1 8 2384 1 1 2 PRO CD C 2.217 1.409 -3.947 1.00 . A A . 2 PRO CD 1 1 8 2385 1 1 2 PRO CG C 2.666 1.068 -5.369 1.00 . A A . 2 PRO CG 1 1 8 2386 1 1 2 PRO HA H 2.146 -1.811 -3.839 1.00 . A A . 2 PRO HA 1 1 8 2387 1 1 2 PRO HB2 H 2.989 -0.915 -6.230 1.00 . A A . 2 PRO HB2 1 1 8 2388 1 1 2 PRO HB3 H 1.334 -0.595 -5.629 1.00 . A A . 2 PRO HB3 1 1 8 2389 1 1 2 PRO HD2 H 2.848 2.197 -3.528 1.00 . A A . 2 PRO HD2 1 1 8 2390 1 1 2 PRO HD3 H 1.173 1.728 -3.954 1.00 . A A . 2 PRO HD3 1 1 8 2391 1 1 2 PRO HG2 H 3.733 1.269 -5.477 1.00 . A A . 2 PRO HG2 1 1 8 2392 1 1 2 PRO HG3 H 2.094 1.627 -6.112 1.00 . A A . 2 PRO HG3 1 1 8 2393 1 1 2 PRO N N 2.346 0.177 -3.173 1.00 . A A . 2 PRO N 1 1 8 2394 1 1 2 PRO O O 5.075 -0.956 -4.705 1.00 . A A . 2 PRO O 1 1 8 2395 1 1 3 THR C C 5.630 -4.309 -2.232 1.00 . A A . 3 THR C 1 1 8 2396 1 1 3 THR CA C 5.857 -2.860 -2.745 1.00 . A A . 3 THR CA 1 1 8 2397 1 1 3 THR CB C 6.810 -1.949 -1.927 1.00 . A A . 3 THR CB 1 1 8 2398 1 1 3 THR CG2 C 7.294 -2.401 -0.553 1.00 . A A . 3 THR CG2 1 1 8 2399 1 1 3 THR H H 3.850 -2.412 -2.213 1.00 . A A . 3 THR H 1 1 8 2400 1 1 3 THR HA H 6.293 -2.962 -3.738 1.00 . A A . 3 THR HA 1 1 8 2401 1 1 3 THR HB H 6.320 -0.985 -1.791 1.00 . A A . 3 THR HB 1 1 8 2402 1 1 3 THR HG1 H 8.424 -0.958 -2.256 1.00 . A A . 3 THR HG1 1 1 8 2403 1 1 3 THR HG21 H 7.652 -1.538 0.005 1.00 . A A . 3 THR HG21 1 1 8 2404 1 1 3 THR HG22 H 8.114 -3.105 -0.637 1.00 . A A . 3 THR HG22 1 1 8 2405 1 1 3 THR HG23 H 6.480 -2.868 -0.016 1.00 . A A . 3 THR HG23 1 1 8 2406 1 1 3 THR N N 4.556 -2.168 -2.897 1.00 . A A . 3 THR N 1 1 8 2407 1 1 3 THR O O 4.473 -4.728 -2.197 1.00 . A A . 3 THR O 1 1 8 2408 1 1 3 THR OG1 O 7.982 -1.704 -2.669 1.00 . A A . 3 THR OG1 1 1 8 2409 1 1 4 PRO C C 6.371 -6.673 0.137 1.00 . A A . 4 PRO C 1 1 8 2410 1 1 4 PRO CA C 6.458 -6.517 -1.411 1.00 . A A . 4 PRO CA 1 1 8 2411 1 1 4 PRO CB C 7.612 -7.341 -2.014 1.00 . A A . 4 PRO CB 1 1 8 2412 1 1 4 PRO CD C 7.946 -5.080 -2.633 1.00 . A A . 4 PRO CD 1 1 8 2413 1 1 4 PRO CG C 8.726 -6.321 -2.214 1.00 . A A . 4 PRO CG 1 1 8 2414 1 1 4 PRO HA H 5.529 -6.934 -1.802 1.00 . A A . 4 PRO HA 1 1 8 2415 1 1 4 PRO HB2 H 7.938 -8.164 -1.379 1.00 . A A . 4 PRO HB2 1 1 8 2416 1 1 4 PRO HB3 H 7.307 -7.731 -2.986 1.00 . A A . 4 PRO HB3 1 1 8 2417 1 1 4 PRO HD2 H 8.509 -4.188 -2.379 1.00 . A A . 4 PRO HD2 1 1 8 2418 1 1 4 PRO HD3 H 7.787 -5.107 -3.712 1.00 . A A . 4 PRO HD3 1 1 8 2419 1 1 4 PRO HG2 H 9.245 -6.146 -1.275 1.00 . A A . 4 PRO HG2 1 1 8 2420 1 1 4 PRO HG3 H 9.428 -6.635 -2.986 1.00 . A A . 4 PRO HG3 1 1 8 2421 1 1 4 PRO N N 6.651 -5.155 -1.961 1.00 . A A . 4 PRO N 1 1 8 2422 1 1 4 PRO O O 6.499 -7.799 0.614 1.00 . A A . 4 PRO O 1 1 8 2423 1 1 5 MET C C 4.661 -5.684 2.942 1.00 . A A . 5 MET C 1 1 8 2424 1 1 5 MET CA C 6.116 -5.678 2.427 1.00 . A A . 5 MET CA 1 1 8 2425 1 1 5 MET CB C 6.938 -4.527 3.047 1.00 . A A . 5 MET CB 1 1 8 2426 1 1 5 MET CE C 9.478 -4.687 1.167 1.00 . A A . 5 MET CE 1 1 8 2427 1 1 5 MET CG C 8.253 -4.989 3.686 1.00 . A A . 5 MET CG 1 1 8 2428 1 1 5 MET H H 5.836 -4.766 0.501 1.00 . A A . 5 MET H 1 1 8 2429 1 1 5 MET HA H 6.559 -6.620 2.754 1.00 . A A . 5 MET HA 1 1 8 2430 1 1 5 MET HB2 H 7.147 -3.769 2.296 1.00 . A A . 5 MET HB2 1 1 8 2431 1 1 5 MET HB3 H 6.370 -4.035 3.834 1.00 . A A . 5 MET HB3 1 1 8 2432 1 1 5 MET HE1 H 9.403 -3.649 1.487 1.00 . A A . 5 MET HE1 1 1 8 2433 1 1 5 MET HE2 H 10.395 -4.839 0.598 1.00 . A A . 5 MET HE2 1 1 8 2434 1 1 5 MET HE3 H 8.628 -4.925 0.535 1.00 . A A . 5 MET HE3 1 1 8 2435 1 1 5 MET HG2 H 8.723 -4.122 4.145 1.00 . A A . 5 MET HG2 1 1 8 2436 1 1 5 MET HG3 H 8.022 -5.684 4.495 1.00 . A A . 5 MET HG3 1 1 8 2437 1 1 5 MET N N 6.174 -5.613 0.939 1.00 . A A . 5 MET N 1 1 8 2438 1 1 5 MET O O 3.735 -5.762 2.150 1.00 . A A . 5 MET O 1 1 8 2439 1 1 5 MET SD S 9.480 -5.776 2.606 1.00 . A A . 5 MET SD 1 1 8 2440 1 1 6 VAL C C 2.858 -4.392 5.832 1.00 . A A . 6 VAL C 1 1 8 2441 1 1 6 VAL CA C 2.998 -5.462 4.751 1.00 . A A . 6 VAL CA 1 1 8 2442 1 1 6 VAL CB C 2.425 -6.828 5.172 1.00 . A A . 6 VAL CB 1 1 8 2443 1 1 6 VAL CG1 C 3.076 -7.406 6.433 1.00 . A A . 6 VAL CG1 1 1 8 2444 1 1 6 VAL CG2 C 0.907 -6.756 5.390 1.00 . A A . 6 VAL CG2 1 1 8 2445 1 1 6 VAL H H 5.147 -5.550 4.915 1.00 . A A . 6 VAL H 1 1 8 2446 1 1 6 VAL HA H 2.379 -5.118 3.924 1.00 . A A . 6 VAL HA 1 1 8 2447 1 1 6 VAL HB H 2.600 -7.527 4.353 1.00 . A A . 6 VAL HB 1 1 8 2448 1 1 6 VAL HG11 H 4.154 -7.497 6.284 1.00 . A A . 6 VAL HG11 1 1 8 2449 1 1 6 VAL HG12 H 2.888 -6.763 7.294 1.00 . A A . 6 VAL HG12 1 1 8 2450 1 1 6 VAL HG13 H 2.667 -8.398 6.629 1.00 . A A . 6 VAL HG13 1 1 8 2451 1 1 6 VAL HG21 H 0.420 -6.364 4.496 1.00 . A A . 6 VAL HG21 1 1 8 2452 1 1 6 VAL HG22 H 0.524 -7.758 5.581 1.00 . A A . 6 VAL HG22 1 1 8 2453 1 1 6 VAL HG23 H 0.673 -6.125 6.247 1.00 . A A . 6 VAL HG23 1 1 8 2454 1 1 6 VAL N N 4.386 -5.596 4.251 1.00 . A A . 6 VAL N 1 1 8 2455 1 1 6 VAL O O 3.708 -4.251 6.704 1.00 . A A . 6 VAL O 1 1 8 2456 1 1 7 GLY C C 1.677 -1.114 5.848 1.00 . A A . 7 GLY C 1 1 8 2457 1 1 7 GLY CA C 1.536 -2.438 6.606 1.00 . A A . 7 GLY CA 1 1 8 2458 1 1 7 GLY H H 1.165 -3.760 4.967 1.00 . A A . 7 GLY H 1 1 8 2459 1 1 7 GLY HA2 H 0.527 -2.498 7.019 1.00 . A A . 7 GLY HA2 1 1 8 2460 1 1 7 GLY HA3 H 2.245 -2.437 7.435 1.00 . A A . 7 GLY HA3 1 1 8 2461 1 1 7 GLY N N 1.780 -3.605 5.753 1.00 . A A . 7 GLY N 1 1 8 2462 1 1 7 GLY O O 1.660 -1.079 4.619 1.00 . A A . 7 GLY O 1 1 8 2463 1 1 8 LEU C C 0.809 1.953 5.287 1.00 . A A . 8 LEU C 1 1 8 2464 1 1 8 LEU CA C 1.956 1.380 6.150 1.00 . A A . 8 LEU CA 1 1 8 2465 1 1 8 LEU CB C 3.358 1.595 5.530 1.00 . A A . 8 LEU CB 1 1 8 2466 1 1 8 LEU CD1 C 3.227 4.175 5.585 1.00 . A A . 8 LEU CD1 1 1 8 2467 1 1 8 LEU CD2 C 4.549 2.974 7.309 1.00 . A A . 8 LEU CD2 1 1 8 2468 1 1 8 LEU CG C 4.066 2.928 5.857 1.00 . A A . 8 LEU CG 1 1 8 2469 1 1 8 LEU H H 1.800 -0.172 7.591 1.00 . A A . 8 LEU H 1 1 8 2470 1 1 8 LEU HA H 1.928 1.968 7.067 1.00 . A A . 8 LEU HA 1 1 8 2471 1 1 8 LEU HB2 H 4.017 0.801 5.873 1.00 . A A . 8 LEU HB2 1 1 8 2472 1 1 8 LEU HB3 H 3.285 1.493 4.447 1.00 . A A . 8 LEU HB3 1 1 8 2473 1 1 8 LEU HD11 H 3.853 5.064 5.657 1.00 . A A . 8 LEU HD11 1 1 8 2474 1 1 8 LEU HD12 H 2.421 4.255 6.315 1.00 . A A . 8 LEU HD12 1 1 8 2475 1 1 8 LEU HD13 H 2.801 4.133 4.583 1.00 . A A . 8 LEU HD13 1 1 8 2476 1 1 8 LEU HD21 H 3.701 2.943 7.992 1.00 . A A . 8 LEU HD21 1 1 8 2477 1 1 8 LEU HD22 H 5.108 3.891 7.486 1.00 . A A . 8 LEU HD22 1 1 8 2478 1 1 8 LEU HD23 H 5.198 2.120 7.507 1.00 . A A . 8 LEU HD23 1 1 8 2479 1 1 8 LEU HG H 4.945 2.989 5.220 1.00 . A A . 8 LEU HG 1 1 8 2480 1 1 8 LEU N N 1.794 -0.014 6.596 1.00 . A A . 8 LEU N 1 1 8 2481 1 1 8 LEU O O 0.213 2.933 5.724 1.00 . A A . 8 LEU O 1 1 8 2482 1 1 9 ASP C C -1.445 2.888 3.509 1.00 . A A . 9 ASP C 1 1 8 2483 1 1 9 ASP CA C -0.271 2.032 3.018 1.00 . A A . 9 ASP CA 1 1 8 2484 1 1 9 ASP CB C -0.815 1.029 1.975 1.00 . A A . 9 ASP CB 1 1 8 2485 1 1 9 ASP CG C 0.163 0.428 0.954 1.00 . A A . 9 ASP CG 1 1 8 2486 1 1 9 ASP H H 0.955 0.495 3.930 1.00 . A A . 9 ASP H 1 1 8 2487 1 1 9 ASP HA H 0.387 2.725 2.510 1.00 . A A . 9 ASP HA 1 1 8 2488 1 1 9 ASP HB2 H -1.331 0.223 2.501 1.00 . A A . 9 ASP HB2 1 1 8 2489 1 1 9 ASP HB3 H -1.567 1.552 1.382 1.00 . A A . 9 ASP HB3 1 1 8 2490 1 1 9 ASP N N 0.501 1.386 4.106 1.00 . A A . 9 ASP N 1 1 8 2491 1 1 9 ASP O O -1.519 4.071 3.201 1.00 . A A . 9 ASP O 1 1 8 2492 1 1 9 ASP OD1 O -0.013 -0.773 0.686 1.00 . A A . 9 ASP OD1 1 1 8 2493 1 1 10 SER C C -4.575 3.567 3.900 1.00 . A A . 10 SER C 1 1 8 2494 1 1 10 SER CA C -3.574 2.901 4.871 1.00 . A A . 10 SER CA 1 1 8 2495 1 1 10 SER CB C -3.152 3.905 5.953 1.00 . A A . 10 SER CB 1 1 8 2496 1 1 10 SER H H -2.177 1.329 4.500 1.00 . A A . 10 SER H 1 1 8 2497 1 1 10 SER HA H -4.122 2.110 5.381 1.00 . A A . 10 SER HA 1 1 8 2498 1 1 10 SER HB2 H -2.697 4.777 5.482 1.00 . A A . 10 SER HB2 1 1 8 2499 1 1 10 SER HB3 H -4.036 4.223 6.508 1.00 . A A . 10 SER HB3 1 1 8 2500 1 1 10 SER HG H -1.357 3.280 6.404 1.00 . A A . 10 SER HG 1 1 8 2501 1 1 10 SER N N -2.376 2.286 4.260 1.00 . A A . 10 SER N 1 1 8 2502 1 1 10 SER O O -5.715 3.821 4.275 1.00 . A A . 10 SER O 1 1 8 2503 1 1 10 SER OG O -2.224 3.329 6.855 1.00 . A A . 10 SER OG 1 1 8 2504 1 1 11 VAL C C -4.626 3.937 0.260 1.00 . A A . 11 VAL C 1 1 8 2505 1 1 11 VAL CA C -4.817 4.625 1.616 1.00 . A A . 11 VAL CA 1 1 8 2506 1 1 11 VAL CB C -4.254 6.066 1.593 1.00 . A A . 11 VAL CB 1 1 8 2507 1 1 11 VAL CG1 C -5.059 6.948 0.633 1.00 . A A . 11 VAL CG1 1 1 8 2508 1 1 11 VAL CG2 C -4.269 6.741 2.972 1.00 . A A . 11 VAL CG2 1 1 8 2509 1 1 11 VAL H H -3.163 3.695 2.551 1.00 . A A . 11 VAL H 1 1 8 2510 1 1 11 VAL HA H -5.889 4.671 1.822 1.00 . A A . 11 VAL HA 1 1 8 2511 1 1 11 VAL HB H -3.221 6.041 1.247 1.00 . A A . 11 VAL HB 1 1 8 2512 1 1 11 VAL HG11 H -4.625 7.947 0.598 1.00 . A A . 11 VAL HG11 1 1 8 2513 1 1 11 VAL HG12 H -5.034 6.531 -0.374 1.00 . A A . 11 VAL HG12 1 1 8 2514 1 1 11 VAL HG13 H -6.093 7.017 0.966 1.00 . A A . 11 VAL HG13 1 1 8 2515 1 1 11 VAL HG21 H -5.265 6.685 3.409 1.00 . A A . 11 VAL HG21 1 1 8 2516 1 1 11 VAL HG22 H -3.557 6.246 3.630 1.00 . A A . 11 VAL HG22 1 1 8 2517 1 1 11 VAL HG23 H -3.966 7.783 2.884 1.00 . A A . 11 VAL HG23 1 1 8 2518 1 1 11 VAL N N -4.159 3.831 2.659 1.00 . A A . 11 VAL N 1 1 8 2519 1 1 11 VAL O O -5.605 3.523 -0.349 1.00 . A A . 11 VAL O 1 1 8 2520 1 1 12 SER C C -3.211 1.476 -1.360 1.00 . A A . 12 SER C 1 1 8 2521 1 1 12 SER CA C -3.058 3.011 -1.445 1.00 . A A . 12 SER CA 1 1 8 2522 1 1 12 SER CB C -1.638 3.383 -1.897 1.00 . A A . 12 SER CB 1 1 8 2523 1 1 12 SER H H -2.600 4.083 0.349 1.00 . A A . 12 SER H 1 1 8 2524 1 1 12 SER HA H -3.750 3.352 -2.218 1.00 . A A . 12 SER HA 1 1 8 2525 1 1 12 SER HB2 H -1.517 4.465 -1.885 1.00 . A A . 12 SER HB2 1 1 8 2526 1 1 12 SER HB3 H -0.925 2.950 -1.199 1.00 . A A . 12 SER HB3 1 1 8 2527 1 1 12 SER HG H -1.734 2.002 -3.252 1.00 . A A . 12 SER HG 1 1 8 2528 1 1 12 SER N N -3.379 3.723 -0.190 1.00 . A A . 12 SER N 1 1 8 2529 1 1 12 SER O O -2.746 0.784 -2.260 1.00 . A A . 12 SER O 1 1 8 2530 1 1 12 SER OG O -1.396 2.911 -3.213 1.00 . A A . 12 SER OG 1 1 8 2531 1 1 13 GLY C C -3.569 -1.549 -0.843 1.00 . A A . 13 GLY C 1 1 8 2532 1 1 13 GLY CA C -4.190 -0.440 0.015 1.00 . A A . 13 GLY CA 1 1 8 2533 1 1 13 GLY H H -4.245 1.659 0.304 1.00 . A A . 13 GLY H 1 1 8 2534 1 1 13 GLY HA2 H -3.954 -0.646 1.060 1.00 . A A . 13 GLY HA2 1 1 8 2535 1 1 13 GLY HA3 H -5.270 -0.534 -0.104 1.00 . A A . 13 GLY HA3 1 1 8 2536 1 1 13 GLY N N -3.831 0.958 -0.288 1.00 . A A . 13 GLY N 1 1 8 2537 1 1 13 GLY O O -4.285 -2.166 -1.630 1.00 . A A . 13 GLY O 1 1 8 2538 1 1 14 GLN C C -0.623 -3.638 -0.375 1.00 . A A . 14 GLN C 1 1 8 2539 1 1 14 GLN CA C -1.563 -2.902 -1.355 1.00 . A A . 14 GLN CA 1 1 8 2540 1 1 14 GLN CB C -0.913 -2.316 -2.635 1.00 . A A . 14 GLN CB 1 1 8 2541 1 1 14 GLN CD C -0.145 -4.423 -3.960 1.00 . A A . 14 GLN CD 1 1 8 2542 1 1 14 GLN CG C -1.046 -3.193 -3.889 1.00 . A A . 14 GLN CG 1 1 8 2543 1 1 14 GLN H H -1.720 -1.286 -0.006 1.00 . A A . 14 GLN H 1 1 8 2544 1 1 14 GLN HA H -2.301 -3.644 -1.663 1.00 . A A . 14 GLN HA 1 1 8 2545 1 1 14 GLN HB2 H -1.415 -1.380 -2.880 1.00 . A A . 14 GLN HB2 1 1 8 2546 1 1 14 GLN HB3 H 0.124 -2.050 -2.475 1.00 . A A . 14 GLN HB3 1 1 8 2547 1 1 14 GLN HE21 H 1.511 -3.535 -3.148 1.00 . A A . 14 GLN HE21 1 1 8 2548 1 1 14 GLN HE22 H 1.630 -5.193 -3.695 1.00 . A A . 14 GLN HE22 1 1 8 2549 1 1 14 GLN HG2 H -2.086 -3.503 -3.989 1.00 . A A . 14 GLN HG2 1 1 8 2550 1 1 14 GLN HG3 H -0.806 -2.573 -4.750 1.00 . A A . 14 GLN HG3 1 1 8 2551 1 1 14 GLN N N -2.276 -1.830 -0.657 1.00 . A A . 14 GLN N 1 1 8 2552 1 1 14 GLN NE2 N 1.121 -4.327 -3.622 1.00 . A A . 14 GLN NE2 1 1 8 2553 1 1 14 GLN O O -1.098 -4.500 0.360 1.00 . A A . 14 GLN O 1 1 8 2554 1 1 14 GLN OE1 O -0.548 -5.485 -4.395 1.00 . A A . 14 GLN OE1 1 1 8 2555 1 1 15 TYR C C 2.958 -3.049 0.690 1.00 . A A . 15 TYR C 1 1 8 2556 1 1 15 TYR CA C 1.731 -3.981 0.419 1.00 . A A . 15 TYR CA 1 1 8 2557 1 1 15 TYR CB C 2.083 -5.275 -0.363 1.00 . A A . 15 TYR CB 1 1 8 2558 1 1 15 TYR CD1 C 0.983 -7.046 1.102 1.00 . A A . 15 TYR CD1 1 1 8 2559 1 1 15 TYR CD2 C 0.551 -7.089 -1.290 1.00 . A A . 15 TYR CD2 1 1 8 2560 1 1 15 TYR CE1 C 0.202 -8.206 1.272 1.00 . A A . 15 TYR CE1 1 1 8 2561 1 1 15 TYR CE2 C -0.238 -8.246 -1.129 1.00 . A A . 15 TYR CE2 1 1 8 2562 1 1 15 TYR CG C 1.167 -6.481 -0.176 1.00 . A A . 15 TYR CG 1 1 8 2563 1 1 15 TYR CZ C -0.412 -8.807 0.152 1.00 . A A . 15 TYR CZ 1 1 8 2564 1 1 15 TYR H H 0.937 -2.437 -0.793 1.00 . A A . 15 TYR H 1 1 8 2565 1 1 15 TYR HA H 1.350 -4.275 1.397 1.00 . A A . 15 TYR HA 1 1 8 2566 1 1 15 TYR HB2 H 2.118 -5.030 -1.416 1.00 . A A . 15 TYR HB2 1 1 8 2567 1 1 15 TYR HB3 H 3.085 -5.610 -0.120 1.00 . A A . 15 TYR HB3 1 1 8 2568 1 1 15 TYR HD1 H 1.465 -6.598 1.955 1.00 . A A . 15 TYR HD1 1 1 8 2569 1 1 15 TYR HD2 H 0.692 -6.683 -2.278 1.00 . A A . 15 TYR HD2 1 1 8 2570 1 1 15 TYR HE1 H 0.088 -8.632 2.255 1.00 . A A . 15 TYR HE1 1 1 8 2571 1 1 15 TYR HE2 H -0.705 -8.717 -1.979 1.00 . A A . 15 TYR HE2 1 1 8 2572 1 1 15 TYR HH H -1.100 -10.242 1.213 1.00 . A A . 15 TYR HH 1 1 8 2573 1 1 15 TYR N N 0.670 -3.298 -0.330 1.00 . A A . 15 TYR N 1 1 8 2574 1 1 15 TYR O O 4.083 -3.384 0.326 1.00 . A A . 15 TYR O 1 1 8 2575 1 1 15 TYR OH O -1.151 -9.939 0.308 1.00 . A A . 15 TYR OH 1 1 8 2576 1 1 16 TRP C C 4.158 0.285 1.159 1.00 . A A . 16 TRP C 1 1 8 2577 1 1 16 TRP CA C 3.722 -0.950 1.990 1.00 . A A . 16 TRP CA 1 1 8 2578 1 1 16 TRP CB C 4.942 -1.716 2.530 1.00 . A A . 16 TRP CB 1 1 8 2579 1 1 16 TRP CD1 C 7.068 -0.413 2.910 1.00 . A A . 16 TRP CD1 1 1 8 2580 1 1 16 TRP CD2 C 6.064 -1.002 4.829 1.00 . A A . 16 TRP CD2 1 1 8 2581 1 1 16 TRP CE2 C 7.295 -0.382 5.182 1.00 . A A . 16 TRP CE2 1 1 8 2582 1 1 16 TRP CE3 C 5.278 -1.509 5.880 1.00 . A A . 16 TRP CE3 1 1 8 2583 1 1 16 TRP CG C 5.950 -1.009 3.378 1.00 . A A . 16 TRP CG 1 1 8 2584 1 1 16 TRP CH2 C 6.890 -0.744 7.545 1.00 . A A . 16 TRP CH2 1 1 8 2585 1 1 16 TRP CZ2 C 7.702 -0.234 6.519 1.00 . A A . 16 TRP CZ2 1 1 8 2586 1 1 16 TRP CZ3 C 5.683 -1.389 7.223 1.00 . A A . 16 TRP CZ3 1 1 8 2587 1 1 16 TRP H H 1.761 -1.637 1.370 1.00 . A A . 16 TRP H 1 1 8 2588 1 1 16 TRP HA H 3.218 -0.555 2.867 1.00 . A A . 16 TRP HA 1 1 8 2589 1 1 16 TRP HB2 H 4.584 -2.579 3.091 1.00 . A A . 16 TRP HB2 1 1 8 2590 1 1 16 TRP HB3 H 5.506 -2.089 1.689 1.00 . A A . 16 TRP HB3 1 1 8 2591 1 1 16 TRP HD1 H 7.317 -0.316 1.857 1.00 . A A . 16 TRP HD1 1 1 8 2592 1 1 16 TRP HE1 H 8.831 0.252 3.846 1.00 . A A . 16 TRP HE1 1 1 8 2593 1 1 16 TRP HE3 H 4.374 -2.035 5.630 1.00 . A A . 16 TRP HE3 1 1 8 2594 1 1 16 TRP HH2 H 7.215 -0.696 8.577 1.00 . A A . 16 TRP HH2 1 1 8 2595 1 1 16 TRP HZ2 H 8.665 0.185 6.752 1.00 . A A . 16 TRP HZ2 1 1 8 2596 1 1 16 TRP HZ3 H 5.090 -1.848 8.003 1.00 . A A . 16 TRP HZ3 1 1 8 2597 1 1 16 TRP N N 2.746 -1.876 1.332 1.00 . A A . 16 TRP N 1 1 8 2598 1 1 16 TRP NE1 N 7.886 -0.080 3.973 1.00 . A A . 16 TRP NE1 1 1 8 2599 1 1 16 TRP O O 4.917 0.184 0.201 1.00 . A A . 16 TRP O 1 1 8 2600 1 1 17 ASP C C 5.327 3.475 1.233 1.00 . A A . 17 ASP C 1 1 8 2601 1 1 17 ASP CA C 3.967 2.806 0.936 1.00 . A A . 17 ASP CA 1 1 8 2602 1 1 17 ASP CB C 2.873 3.799 1.403 1.00 . A A . 17 ASP CB 1 1 8 2603 1 1 17 ASP CG C 1.866 4.161 0.307 1.00 . A A . 17 ASP CG 1 1 8 2604 1 1 17 ASP H H 3.089 1.472 2.357 1.00 . A A . 17 ASP H 1 1 8 2605 1 1 17 ASP HA H 3.908 2.690 -0.147 1.00 . A A . 17 ASP HA 1 1 8 2606 1 1 17 ASP HB2 H 2.357 3.383 2.268 1.00 . A A . 17 ASP HB2 1 1 8 2607 1 1 17 ASP HB3 H 3.318 4.731 1.754 1.00 . A A . 17 ASP HB3 1 1 8 2608 1 1 17 ASP N N 3.727 1.485 1.582 1.00 . A A . 17 ASP N 1 1 8 2609 1 1 17 ASP O O 5.629 4.558 0.726 1.00 . A A . 17 ASP O 1 1 8 2610 1 1 17 ASP OD1 O 2.302 4.490 -0.815 1.00 . A A . 17 ASP OD1 1 1 8 2611 1 1 17 ASP OD2 O 0.652 4.016 0.571 1.00 . A A . 17 ASP OD2 1 1 8 2612 1 1 18 GLN C C 8.365 3.997 1.740 1.00 . A A . 18 GLN C 1 1 8 2613 1 1 18 GLN CA C 7.209 3.745 2.732 1.00 . A A . 18 GLN CA 1 1 8 2614 1 1 18 GLN CB C 7.743 3.077 4.003 1.00 . A A . 18 GLN CB 1 1 8 2615 1 1 18 GLN CD C 9.403 3.641 5.777 1.00 . A A . 18 GLN CD 1 1 8 2616 1 1 18 GLN CG C 8.118 4.081 5.100 1.00 . A A . 18 GLN CG 1 1 8 2617 1 1 18 GLN H H 5.902 2.020 2.505 1.00 . A A . 18 GLN H 1 1 8 2618 1 1 18 GLN HA H 6.770 4.708 2.998 1.00 . A A . 18 GLN HA 1 1 8 2619 1 1 18 GLN HB2 H 6.997 2.400 4.415 1.00 . A A . 18 GLN HB2 1 1 8 2620 1 1 18 GLN HB3 H 8.625 2.494 3.730 1.00 . A A . 18 GLN HB3 1 1 8 2621 1 1 18 GLN HE21 H 8.501 2.284 7.000 1.00 . A A . 18 GLN HE21 1 1 8 2622 1 1 18 GLN HE22 H 10.253 2.372 7.022 1.00 . A A . 18 GLN HE22 1 1 8 2623 1 1 18 GLN HG2 H 8.282 5.069 4.675 1.00 . A A . 18 GLN HG2 1 1 8 2624 1 1 18 GLN HG3 H 7.309 4.146 5.826 1.00 . A A . 18 GLN HG3 1 1 8 2625 1 1 18 GLN N N 6.125 2.942 2.160 1.00 . A A . 18 GLN N 1 1 8 2626 1 1 18 GLN NE2 N 9.363 2.716 6.707 1.00 . A A . 18 GLN NE2 1 1 8 2627 1 1 18 GLN O O 8.735 3.133 0.958 1.00 . A A . 18 GLN O 1 1 8 2628 1 1 18 GLN OE1 O 10.474 4.107 5.426 1.00 . A A . 18 GLN OE1 1 1 8 2629 1 1 19 HIS C C 11.492 4.829 1.090 1.00 . A A . 19 HIS C 1 1 8 2630 1 1 19 HIS CA C 10.176 5.661 1.086 1.00 . A A . 19 HIS CA 1 1 8 2631 1 1 19 HIS CB C 10.437 7.113 1.547 1.00 . A A . 19 HIS CB 1 1 8 2632 1 1 19 HIS CD2 C 11.754 8.347 3.383 1.00 . A A . 19 HIS CD2 1 1 8 2633 1 1 19 HIS CE1 C 11.962 6.724 4.882 1.00 . A A . 19 HIS CE1 1 1 8 2634 1 1 19 HIS CG C 11.090 7.244 2.914 1.00 . A A . 19 HIS CG 1 1 8 2635 1 1 19 HIS H H 8.568 5.812 2.481 1.00 . A A . 19 HIS H 1 1 8 2636 1 1 19 HIS HA H 9.856 5.689 0.042 1.00 . A A . 19 HIS HA 1 1 8 2637 1 1 19 HIS HB2 H 11.089 7.587 0.809 1.00 . A A . 19 HIS HB2 1 1 8 2638 1 1 19 HIS HB3 H 9.500 7.673 1.539 1.00 . A A . 19 HIS HB3 1 1 8 2639 1 1 19 HIS HD1 H 10.883 5.283 3.841 1.00 . A A . 19 HIS HD1 1 1 8 2640 1 1 19 HIS HD2 H 11.873 9.289 2.859 1.00 . A A . 19 HIS HD2 1 1 8 2641 1 1 19 HIS HE1 H 12.245 6.134 5.752 1.00 . A A . 19 HIS HE1 1 1 8 2642 1 1 19 HIS HE2 H 12.867 8.599 5.205 1.00 . A A . 19 HIS HE2 1 1 8 2643 1 1 19 HIS N N 9.029 5.154 1.875 1.00 . A A . 19 HIS N 1 1 8 2644 1 1 19 HIS ND1 N 11.228 6.244 3.864 1.00 . A A . 19 HIS ND1 1 1 8 2645 1 1 19 HIS NE2 N 12.290 8.006 4.618 1.00 . A A . 19 HIS NE2 1 1 8 2646 1 1 19 HIS O O 12.570 5.415 1.019 1.00 . A A . 19 HIS O 1 1 8 2647 1 1 20 ALA C C 12.368 1.355 0.514 1.00 . A A . 20 ALA C 1 1 8 2648 1 1 20 ALA CA C 12.597 2.611 1.384 1.00 . A A . 20 ALA CA 1 1 8 2649 1 1 20 ALA CB C 12.769 2.252 2.866 1.00 . A A . 20 ALA CB 1 1 8 2650 1 1 20 ALA H H 10.541 3.056 1.181 1.00 . A A . 20 ALA H 1 1 8 2651 1 1 20 ALA HA H 13.496 3.120 1.035 1.00 . A A . 20 ALA HA 1 1 8 2652 1 1 20 ALA HB1 H 13.652 1.628 3.003 1.00 . A A . 20 ALA HB1 1 1 8 2653 1 1 20 ALA HB2 H 12.879 3.156 3.462 1.00 . A A . 20 ALA HB2 1 1 8 2654 1 1 20 ALA HB3 H 11.896 1.699 3.214 1.00 . A A . 20 ALA HB3 1 1 8 2655 1 1 20 ALA N N 11.446 3.512 1.275 1.00 . A A . 20 ALA N 1 1 8 2656 1 1 20 ALA O O 11.216 0.960 0.344 1.00 . A A . 20 ALA O 1 1 8 2657 1 1 21 PRO C C 12.750 -1.703 -0.283 1.00 . A A . 21 PRO C 1 1 8 2658 1 1 21 PRO CA C 13.251 -0.418 -0.960 1.00 . A A . 21 PRO CA 1 1 8 2659 1 1 21 PRO CB C 14.630 -0.625 -1.590 1.00 . A A . 21 PRO CB 1 1 8 2660 1 1 21 PRO CD C 14.829 1.052 0.103 1.00 . A A . 21 PRO CD 1 1 8 2661 1 1 21 PRO CG C 15.595 -0.118 -0.517 1.00 . A A . 21 PRO CG 1 1 8 2662 1 1 21 PRO HA H 12.536 -0.154 -1.740 1.00 . A A . 21 PRO HA 1 1 8 2663 1 1 21 PRO HB2 H 14.817 -1.669 -1.843 1.00 . A A . 21 PRO HB2 1 1 8 2664 1 1 21 PRO HB3 H 14.716 0.001 -2.479 1.00 . A A . 21 PRO HB3 1 1 8 2665 1 1 21 PRO HD2 H 15.115 1.178 1.148 1.00 . A A . 21 PRO HD2 1 1 8 2666 1 1 21 PRO HD3 H 15.044 1.963 -0.459 1.00 . A A . 21 PRO HD3 1 1 8 2667 1 1 21 PRO HG2 H 15.754 -0.892 0.237 1.00 . A A . 21 PRO HG2 1 1 8 2668 1 1 21 PRO HG3 H 16.546 0.200 -0.946 1.00 . A A . 21 PRO HG3 1 1 8 2669 1 1 21 PRO N N 13.419 0.714 -0.038 1.00 . A A . 21 PRO N 1 1 8 2670 1 1 21 PRO O O 12.189 -2.568 -0.946 1.00 . A A . 21 PRO O 1 1 8 2671 1 1 22 LEU C C 12.383 -2.249 3.370 1.00 . A A . 22 LEU C 1 1 8 2672 1 1 22 LEU CA C 12.394 -2.813 1.939 1.00 . A A . 22 LEU CA 1 1 8 2673 1 1 22 LEU CB C 13.156 -4.149 1.817 1.00 . A A . 22 LEU CB 1 1 8 2674 1 1 22 LEU CD1 C 15.100 -4.900 3.280 1.00 . A A . 22 LEU CD1 1 1 8 2675 1 1 22 LEU CD2 C 15.475 -4.463 0.861 1.00 . A A . 22 LEU CD2 1 1 8 2676 1 1 22 LEU CG C 14.672 -4.043 2.094 1.00 . A A . 22 LEU CG 1 1 8 2677 1 1 22 LEU H H 13.393 -1.039 1.497 1.00 . A A . 22 LEU H 1 1 8 2678 1 1 22 LEU HA H 11.361 -2.978 1.655 1.00 . A A . 22 LEU HA 1 1 8 2679 1 1 22 LEU HB2 H 12.707 -4.880 2.493 1.00 . A A . 22 LEU HB2 1 1 8 2680 1 1 22 LEU HB3 H 12.992 -4.540 0.812 1.00 . A A . 22 LEU HB3 1 1 8 2681 1 1 22 LEU HD11 H 14.819 -5.943 3.119 1.00 . A A . 22 LEU HD11 1 1 8 2682 1 1 22 LEU HD12 H 14.596 -4.562 4.186 1.00 . A A . 22 LEU HD12 1 1 8 2683 1 1 22 LEU HD13 H 16.175 -4.837 3.431 1.00 . A A . 22 LEU HD13 1 1 8 2684 1 1 22 LEU HD21 H 15.275 -5.512 0.637 1.00 . A A . 22 LEU HD21 1 1 8 2685 1 1 22 LEU HD22 H 16.539 -4.332 1.053 1.00 . A A . 22 LEU HD22 1 1 8 2686 1 1 22 LEU HD23 H 15.180 -3.852 0.009 1.00 . A A . 22 LEU HD23 1 1 8 2687 1 1 22 LEU HG H 14.939 -3.012 2.323 1.00 . A A . 22 LEU HG 1 1 8 2688 1 1 22 LEU N N 12.952 -1.814 1.029 1.00 . A A . 22 LEU N 1 1 8 2689 1 1 22 LEU O O 12.838 -1.121 3.591 1.00 . A A . 22 LEU O 1 1 8 2690 1 1 23 ALA C C 11.727 -3.806 6.729 1.00 . A A . 23 ALA C 1 1 8 2691 1 1 23 ALA CA C 11.764 -2.621 5.739 1.00 . A A . 23 ALA CA 1 1 8 2692 1 1 23 ALA CB C 10.537 -1.725 5.932 1.00 . A A . 23 ALA CB 1 1 8 2693 1 1 23 ALA H H 11.494 -3.919 4.064 1.00 . A A . 23 ALA H 1 1 8 2694 1 1 23 ALA HA H 12.654 -2.046 5.993 1.00 . A A . 23 ALA HA 1 1 8 2695 1 1 23 ALA HB1 H 10.602 -0.857 5.277 1.00 . A A . 23 ALA HB1 1 1 8 2696 1 1 23 ALA HB2 H 9.633 -2.294 5.710 1.00 . A A . 23 ALA HB2 1 1 8 2697 1 1 23 ALA HB3 H 10.496 -1.391 6.969 1.00 . A A . 23 ALA HB3 1 1 8 2698 1 1 23 ALA N N 11.832 -3.001 4.322 1.00 . A A . 23 ALA N 1 1 8 2699 1 1 23 ALA O O 11.649 -3.568 7.932 1.00 . A A . 23 ALA O 1 1 8 2700 1 1 24 ASP C C 12.812 -7.207 6.043 1.00 . A A . 24 ASP C 1 1 8 2701 1 1 24 ASP CA C 11.820 -6.348 6.859 1.00 . A A . 24 ASP CA 1 1 8 2702 1 1 24 ASP CB C 10.378 -6.922 6.880 1.00 . A A . 24 ASP CB 1 1 8 2703 1 1 24 ASP CG C 10.082 -8.014 7.932 1.00 . A A . 24 ASP CG 1 1 8 2704 1 1 24 ASP H H 12.006 -5.186 5.233 1.00 . A A . 24 ASP H 1 1 8 2705 1 1 24 ASP HA H 12.188 -6.268 7.882 1.00 . A A . 24 ASP HA 1 1 8 2706 1 1 24 ASP HB2 H 9.687 -6.102 7.084 1.00 . A A . 24 ASP HB2 1 1 8 2707 1 1 24 ASP HB3 H 10.135 -7.296 5.884 1.00 . A A . 24 ASP HB3 1 1 8 2708 1 1 24 ASP N N 11.786 -5.032 6.209 1.00 . A A . 24 ASP N 1 1 8 2709 1 1 24 ASP O O 13.576 -7.992 6.647 1.00 . A A . 24 ASP O 1 1 8 2710 1 1 24 ASP OXT O 12.895 -6.935 4.816 1.00 . A A . 24 ASP OXT 1 1 8 2711 1 1 24 ASP OD1 O 10.393 -7.795 9.127 1.00 . A A . 24 ASP OD1 1 1 8 2712 1 1 24 ASP OD2 O 9.400 -9.004 7.565 1.00 . A A . 24 ASP OD2 1 1 9 2713 1 1 1 GLY C C 1.710 -0.020 -2.150 1.00 . A A . 1 GLY C 1 1 9 2714 1 1 1 GLY CA C 0.609 0.724 -1.366 1.00 . A A . 1 GLY CA 1 1 9 2715 1 1 1 GLY H1 H 0.996 1.905 0.264 1.00 . A A . 1 GLY H1 1 1 9 2716 1 1 1 GLY HA2 H -0.292 0.134 -1.511 1.00 . A A . 1 GLY HA2 1 1 9 2717 1 1 1 GLY HA3 H 0.429 1.692 -1.825 1.00 . A A . 1 GLY HA3 1 1 9 2718 1 1 1 GLY N N 0.787 0.933 0.085 1.00 . A A . 1 GLY N 1 1 9 2719 1 1 1 GLY O O 1.985 -1.170 -1.824 1.00 . A A . 1 GLY O 1 1 9 2720 1 1 2 PRO C C 4.379 -0.735 -3.978 1.00 . A A . 2 PRO C 1 1 9 2721 1 1 2 PRO CA C 2.905 -0.375 -4.296 1.00 . A A . 2 PRO CA 1 1 9 2722 1 1 2 PRO CB C 2.719 0.342 -5.641 1.00 . A A . 2 PRO CB 1 1 9 2723 1 1 2 PRO CD C 1.861 1.745 -3.917 1.00 . A A . 2 PRO CD 1 1 9 2724 1 1 2 PRO CG C 2.601 1.810 -5.249 1.00 . A A . 2 PRO CG 1 1 9 2725 1 1 2 PRO HA H 2.376 -1.319 -4.387 1.00 . A A . 2 PRO HA 1 1 9 2726 1 1 2 PRO HB2 H 3.537 0.177 -6.339 1.00 . A A . 2 PRO HB2 1 1 9 2727 1 1 2 PRO HB3 H 1.783 0.019 -6.097 1.00 . A A . 2 PRO HB3 1 1 9 2728 1 1 2 PRO HD2 H 2.177 2.574 -3.289 1.00 . A A . 2 PRO HD2 1 1 9 2729 1 1 2 PRO HD3 H 0.784 1.786 -4.088 1.00 . A A . 2 PRO HD3 1 1 9 2730 1 1 2 PRO HG2 H 3.593 2.238 -5.096 1.00 . A A . 2 PRO HG2 1 1 9 2731 1 1 2 PRO HG3 H 2.040 2.382 -5.987 1.00 . A A . 2 PRO HG3 1 1 9 2732 1 1 2 PRO N N 2.204 0.467 -3.310 1.00 . A A . 2 PRO N 1 1 9 2733 1 1 2 PRO O O 5.301 -0.245 -4.626 1.00 . A A . 2 PRO O 1 1 9 2734 1 1 3 THR C C 5.379 -3.935 -2.438 1.00 . A A . 3 THR C 1 1 9 2735 1 1 3 THR CA C 5.817 -2.523 -2.936 1.00 . A A . 3 THR CA 1 1 9 2736 1 1 3 THR CB C 6.908 -1.758 -2.151 1.00 . A A . 3 THR CB 1 1 9 2737 1 1 3 THR CG2 C 7.007 -1.982 -0.652 1.00 . A A . 3 THR CG2 1 1 9 2738 1 1 3 THR H H 3.816 -1.968 -2.488 1.00 . A A . 3 THR H 1 1 9 2739 1 1 3 THR HA H 6.202 -2.660 -3.945 1.00 . A A . 3 THR HA 1 1 9 2740 1 1 3 THR HB H 6.743 -0.692 -2.303 1.00 . A A . 3 THR HB 1 1 9 2741 1 1 3 THR HG1 H 8.806 -1.536 -2.123 1.00 . A A . 3 THR HG1 1 1 9 2742 1 1 3 THR HG21 H 7.626 -1.201 -0.211 1.00 . A A . 3 THR HG21 1 1 9 2743 1 1 3 THR HG22 H 7.425 -2.949 -0.430 1.00 . A A . 3 THR HG22 1 1 9 2744 1 1 3 THR HG23 H 6.022 -1.941 -0.215 1.00 . A A . 3 THR HG23 1 1 9 2745 1 1 3 THR N N 4.605 -1.672 -3.053 1.00 . A A . 3 THR N 1 1 9 2746 1 1 3 THR O O 4.202 -4.241 -2.645 1.00 . A A . 3 THR O 1 1 9 2747 1 1 3 THR OG1 O 8.188 -2.037 -2.663 1.00 . A A . 3 THR OG1 1 1 9 2748 1 1 4 PRO C C 5.651 -6.312 0.155 1.00 . A A . 4 PRO C 1 1 9 2749 1 1 4 PRO CA C 5.721 -6.165 -1.390 1.00 . A A . 4 PRO CA 1 1 9 2750 1 1 4 PRO CB C 6.681 -7.198 -1.989 1.00 . A A . 4 PRO CB 1 1 9 2751 1 1 4 PRO CD C 7.610 -5.039 -2.320 1.00 . A A . 4 PRO CD 1 1 9 2752 1 1 4 PRO CG C 8.012 -6.460 -1.923 1.00 . A A . 4 PRO CG 1 1 9 2753 1 1 4 PRO HA H 4.722 -6.383 -1.769 1.00 . A A . 4 PRO HA 1 1 9 2754 1 1 4 PRO HB2 H 6.704 -8.135 -1.431 1.00 . A A . 4 PRO HB2 1 1 9 2755 1 1 4 PRO HB3 H 6.416 -7.381 -3.032 1.00 . A A . 4 PRO HB3 1 1 9 2756 1 1 4 PRO HD2 H 8.272 -4.336 -1.825 1.00 . A A . 4 PRO HD2 1 1 9 2757 1 1 4 PRO HD3 H 7.692 -4.931 -3.402 1.00 . A A . 4 PRO HD3 1 1 9 2758 1 1 4 PRO HG2 H 8.392 -6.477 -0.900 1.00 . A A . 4 PRO HG2 1 1 9 2759 1 1 4 PRO HG3 H 8.741 -6.880 -2.615 1.00 . A A . 4 PRO HG3 1 1 9 2760 1 1 4 PRO N N 6.214 -4.875 -1.923 1.00 . A A . 4 PRO N 1 1 9 2761 1 1 4 PRO O O 5.267 -7.381 0.628 1.00 . A A . 4 PRO O 1 1 9 2762 1 1 5 MET C C 4.665 -5.323 3.079 1.00 . A A . 5 MET C 1 1 9 2763 1 1 5 MET CA C 6.067 -5.429 2.438 1.00 . A A . 5 MET CA 1 1 9 2764 1 1 5 MET CB C 7.036 -4.393 3.045 1.00 . A A . 5 MET CB 1 1 9 2765 1 1 5 MET CE C 9.542 -4.392 0.975 1.00 . A A . 5 MET CE 1 1 9 2766 1 1 5 MET CG C 8.393 -4.984 3.462 1.00 . A A . 5 MET CG 1 1 9 2767 1 1 5 MET H H 6.206 -4.416 0.531 1.00 . A A . 5 MET H 1 1 9 2768 1 1 5 MET HA H 6.440 -6.423 2.692 1.00 . A A . 5 MET HA 1 1 9 2769 1 1 5 MET HB2 H 7.191 -3.574 2.343 1.00 . A A . 5 MET HB2 1 1 9 2770 1 1 5 MET HB3 H 6.590 -3.970 3.945 1.00 . A A . 5 MET HB3 1 1 9 2771 1 1 5 MET HE1 H 9.692 -3.440 1.484 1.00 . A A . 5 MET HE1 1 1 9 2772 1 1 5 MET HE2 H 10.365 -4.577 0.285 1.00 . A A . 5 MET HE2 1 1 9 2773 1 1 5 MET HE3 H 8.615 -4.368 0.417 1.00 . A A . 5 MET HE3 1 1 9 2774 1 1 5 MET HG2 H 8.971 -4.193 3.938 1.00 . A A . 5 MET HG2 1 1 9 2775 1 1 5 MET HG3 H 8.216 -5.740 4.228 1.00 . A A . 5 MET HG3 1 1 9 2776 1 1 5 MET N N 6.035 -5.311 0.960 1.00 . A A . 5 MET N 1 1 9 2777 1 1 5 MET O O 3.731 -4.764 2.507 1.00 . A A . 5 MET O 1 1 9 2778 1 1 5 MET SD S 9.430 -5.738 2.172 1.00 . A A . 5 MET SD 1 1 9 2779 1 1 6 VAL C C 2.655 -4.918 5.805 1.00 . A A . 6 VAL C 1 1 9 2780 1 1 6 VAL CA C 3.145 -6.052 4.888 1.00 . A A . 6 VAL CA 1 1 9 2781 1 1 6 VAL CB C 3.022 -7.482 5.462 1.00 . A A . 6 VAL CB 1 1 9 2782 1 1 6 VAL CG1 C 3.997 -7.834 6.594 1.00 . A A . 6 VAL CG1 1 1 9 2783 1 1 6 VAL CG2 C 1.578 -7.800 5.875 1.00 . A A . 6 VAL CG2 1 1 9 2784 1 1 6 VAL H H 5.293 -6.193 4.795 1.00 . A A . 6 VAL H 1 1 9 2785 1 1 6 VAL HA H 2.438 -6.048 4.061 1.00 . A A . 6 VAL HA 1 1 9 2786 1 1 6 VAL HB H 3.259 -8.160 4.642 1.00 . A A . 6 VAL HB 1 1 9 2787 1 1 6 VAL HG11 H 3.776 -7.262 7.494 1.00 . A A . 6 VAL HG11 1 1 9 2788 1 1 6 VAL HG12 H 3.916 -8.895 6.825 1.00 . A A . 6 VAL HG12 1 1 9 2789 1 1 6 VAL HG13 H 5.023 -7.628 6.290 1.00 . A A . 6 VAL HG13 1 1 9 2790 1 1 6 VAL HG21 H 0.905 -7.580 5.048 1.00 . A A . 6 VAL HG21 1 1 9 2791 1 1 6 VAL HG22 H 1.494 -8.858 6.124 1.00 . A A . 6 VAL HG22 1 1 9 2792 1 1 6 VAL HG23 H 1.290 -7.207 6.743 1.00 . A A . 6 VAL HG23 1 1 9 2793 1 1 6 VAL N N 4.486 -5.827 4.307 1.00 . A A . 6 VAL N 1 1 9 2794 1 1 6 VAL O O 2.717 -5.004 7.029 1.00 . A A . 6 VAL O 1 1 9 2795 1 1 7 GLY C C 1.380 -1.427 5.355 1.00 . A A . 7 GLY C 1 1 9 2796 1 1 7 GLY CA C 1.325 -2.838 5.953 1.00 . A A . 7 GLY CA 1 1 9 2797 1 1 7 GLY H H 2.137 -3.797 4.204 1.00 . A A . 7 GLY H 1 1 9 2798 1 1 7 GLY HA2 H 0.282 -3.148 5.990 1.00 . A A . 7 GLY HA2 1 1 9 2799 1 1 7 GLY HA3 H 1.690 -2.796 6.979 1.00 . A A . 7 GLY HA3 1 1 9 2800 1 1 7 GLY N N 2.089 -3.856 5.215 1.00 . A A . 7 GLY N 1 1 9 2801 1 1 7 GLY O O 1.281 -1.250 4.146 1.00 . A A . 7 GLY O 1 1 9 2802 1 1 8 LEU C C 0.493 1.711 5.277 1.00 . A A . 8 LEU C 1 1 9 2803 1 1 8 LEU CA C 1.683 1.025 5.979 1.00 . A A . 8 LEU CA 1 1 9 2804 1 1 8 LEU CB C 3.028 1.296 5.259 1.00 . A A . 8 LEU CB 1 1 9 2805 1 1 8 LEU CD1 C 2.880 3.851 4.900 1.00 . A A . 8 LEU CD1 1 1 9 2806 1 1 8 LEU CD2 C 4.132 2.936 6.857 1.00 . A A . 8 LEU CD2 1 1 9 2807 1 1 8 LEU CG C 3.705 2.671 5.412 1.00 . A A . 8 LEU CG 1 1 9 2808 1 1 8 LEU H H 1.632 -0.716 7.189 1.00 . A A . 8 LEU H 1 1 9 2809 1 1 8 LEU HA H 1.741 1.488 6.964 1.00 . A A . 8 LEU HA 1 1 9 2810 1 1 8 LEU HB2 H 3.756 0.561 5.590 1.00 . A A . 8 LEU HB2 1 1 9 2811 1 1 8 LEU HB3 H 2.883 1.141 4.197 1.00 . A A . 8 LEU HB3 1 1 9 2812 1 1 8 LEU HD11 H 2.067 4.078 5.589 1.00 . A A . 8 LEU HD11 1 1 9 2813 1 1 8 LEU HD12 H 2.467 3.625 3.915 1.00 . A A . 8 LEU HD12 1 1 9 2814 1 1 8 LEU HD13 H 3.513 4.734 4.808 1.00 . A A . 8 LEU HD13 1 1 9 2815 1 1 8 LEU HD21 H 4.724 3.849 6.902 1.00 . A A . 8 LEU HD21 1 1 9 2816 1 1 8 LEU HD22 H 4.735 2.100 7.215 1.00 . A A . 8 LEU HD22 1 1 9 2817 1 1 8 LEU HD23 H 3.256 3.047 7.496 1.00 . A A . 8 LEU HD23 1 1 9 2818 1 1 8 LEU HG H 4.609 2.645 4.804 1.00 . A A . 8 LEU HG 1 1 9 2819 1 1 8 LEU N N 1.540 -0.424 6.228 1.00 . A A . 8 LEU N 1 1 9 2820 1 1 8 LEU O O -0.052 2.661 5.832 1.00 . A A . 8 LEU O 1 1 9 2821 1 1 9 ASP C C -1.604 3.067 3.421 1.00 . A A . 9 ASP C 1 1 9 2822 1 1 9 ASP CA C -0.456 2.120 3.009 1.00 . A A . 9 ASP CA 1 1 9 2823 1 1 9 ASP CB C -0.972 1.264 1.835 1.00 . A A . 9 ASP CB 1 1 9 2824 1 1 9 ASP CG C 0.007 0.392 1.027 1.00 . A A . 9 ASP CG 1 1 9 2825 1 1 9 ASP H H 0.521 0.387 3.793 1.00 . A A . 9 ASP H 1 1 9 2826 1 1 9 ASP HA H 0.343 2.768 2.666 1.00 . A A . 9 ASP HA 1 1 9 2827 1 1 9 ASP HB2 H -1.747 0.615 2.242 1.00 . A A . 9 ASP HB2 1 1 9 2828 1 1 9 ASP HB3 H -1.468 1.929 1.137 1.00 . A A . 9 ASP HB3 1 1 9 2829 1 1 9 ASP N N 0.106 1.271 4.074 1.00 . A A . 9 ASP N 1 1 9 2830 1 1 9 ASP O O -1.660 4.199 2.947 1.00 . A A . 9 ASP O 1 1 9 2831 1 1 9 ASP OD1 O -0.261 -0.828 1.003 1.00 . A A . 9 ASP OD1 1 1 9 2832 1 1 10 SER C C -4.715 3.976 4.026 1.00 . A A . 10 SER C 1 1 9 2833 1 1 10 SER CA C -3.637 3.349 4.932 1.00 . A A . 10 SER CA 1 1 9 2834 1 1 10 SER CB C -3.081 4.407 5.892 1.00 . A A . 10 SER CB 1 1 9 2835 1 1 10 SER H H -2.353 1.672 4.597 1.00 . A A . 10 SER H 1 1 9 2836 1 1 10 SER HA H -4.172 2.630 5.552 1.00 . A A . 10 SER HA 1 1 9 2837 1 1 10 SER HB2 H -2.499 5.148 5.340 1.00 . A A . 10 SER HB2 1 1 9 2838 1 1 10 SER HB3 H -3.910 4.912 6.387 1.00 . A A . 10 SER HB3 1 1 9 2839 1 1 10 SER HG H -1.475 3.427 6.441 1.00 . A A . 10 SER HG 1 1 9 2840 1 1 10 SER N N -2.529 2.612 4.277 1.00 . A A . 10 SER N 1 1 9 2841 1 1 10 SER O O -5.874 4.049 4.423 1.00 . A A . 10 SER O 1 1 9 2842 1 1 10 SER OG O -2.271 3.793 6.875 1.00 . A A . 10 SER OG 1 1 9 2843 1 1 11 VAL C C -4.829 4.220 0.384 1.00 . A A . 11 VAL C 1 1 9 2844 1 1 11 VAL CA C -5.265 4.841 1.721 1.00 . A A . 11 VAL CA 1 1 9 2845 1 1 11 VAL CB C -5.308 6.386 1.625 1.00 . A A . 11 VAL CB 1 1 9 2846 1 1 11 VAL CG1 C -6.341 6.866 0.596 1.00 . A A . 11 VAL CG1 1 1 9 2847 1 1 11 VAL CG2 C -5.669 7.044 2.966 1.00 . A A . 11 VAL CG2 1 1 9 2848 1 1 11 VAL H H -3.375 4.357 2.637 1.00 . A A . 11 VAL H 1 1 9 2849 1 1 11 VAL HA H -6.278 4.487 1.926 1.00 . A A . 11 VAL HA 1 1 9 2850 1 1 11 VAL HB H -4.327 6.750 1.320 1.00 . A A . 11 VAL HB 1 1 9 2851 1 1 11 VAL HG11 H -7.330 6.492 0.863 1.00 . A A . 11 VAL HG11 1 1 9 2852 1 1 11 VAL HG12 H -6.362 7.956 0.572 1.00 . A A . 11 VAL HG12 1 1 9 2853 1 1 11 VAL HG13 H -6.080 6.509 -0.401 1.00 . A A . 11 VAL HG13 1 1 9 2854 1 1 11 VAL HG21 H -4.889 6.850 3.702 1.00 . A A . 11 VAL HG21 1 1 9 2855 1 1 11 VAL HG22 H -5.762 8.124 2.843 1.00 . A A . 11 VAL HG22 1 1 9 2856 1 1 11 VAL HG23 H -6.615 6.640 3.329 1.00 . A A . 11 VAL HG23 1 1 9 2857 1 1 11 VAL N N -4.372 4.387 2.804 1.00 . A A . 11 VAL N 1 1 9 2858 1 1 11 VAL O O -5.671 3.796 -0.398 1.00 . A A . 11 VAL O 1 1 9 2859 1 1 12 SER C C -3.009 1.936 -1.143 1.00 . A A . 12 SER C 1 1 9 2860 1 1 12 SER CA C -2.893 3.480 -1.051 1.00 . A A . 12 SER CA 1 1 9 2861 1 1 12 SER CB C -1.419 3.918 -1.045 1.00 . A A . 12 SER CB 1 1 9 2862 1 1 12 SER H H -2.886 4.410 0.868 1.00 . A A . 12 SER H 1 1 9 2863 1 1 12 SER HA H -3.370 3.898 -1.938 1.00 . A A . 12 SER HA 1 1 9 2864 1 1 12 SER HB2 H -1.329 4.899 -0.575 1.00 . A A . 12 SER HB2 1 1 9 2865 1 1 12 SER HB3 H -0.851 3.210 -0.453 1.00 . A A . 12 SER HB3 1 1 9 2866 1 1 12 SER HG H 0.147 4.012 -2.123 1.00 . A A . 12 SER HG 1 1 9 2867 1 1 12 SER N N -3.519 4.069 0.155 1.00 . A A . 12 SER N 1 1 9 2868 1 1 12 SER O O -2.314 1.302 -1.925 1.00 . A A . 12 SER O 1 1 9 2869 1 1 12 SER OG O -0.821 3.998 -2.317 1.00 . A A . 12 SER OG 1 1 9 2870 1 1 13 GLY C C -3.493 -1.164 -0.954 1.00 . A A . 13 GLY C 1 1 9 2871 1 1 13 GLY CA C -3.933 -0.106 0.071 1.00 . A A . 13 GLY CA 1 1 9 2872 1 1 13 GLY H H -4.480 1.952 0.167 1.00 . A A . 13 GLY H 1 1 9 2873 1 1 13 GLY HA2 H -3.349 -0.265 0.976 1.00 . A A . 13 GLY HA2 1 1 9 2874 1 1 13 GLY HA3 H -4.969 -0.321 0.323 1.00 . A A . 13 GLY HA3 1 1 9 2875 1 1 13 GLY N N -3.842 1.321 -0.292 1.00 . A A . 13 GLY N 1 1 9 2876 1 1 13 GLY O O -4.297 -1.597 -1.777 1.00 . A A . 13 GLY O 1 1 9 2877 1 1 14 GLN C C -0.764 -3.567 -0.567 1.00 . A A . 14 GLN C 1 1 9 2878 1 1 14 GLN CA C -1.719 -2.820 -1.525 1.00 . A A . 14 GLN CA 1 1 9 2879 1 1 14 GLN CB C -1.137 -2.383 -2.893 1.00 . A A . 14 GLN CB 1 1 9 2880 1 1 14 GLN CD C 0.503 -4.200 -3.845 1.00 . A A . 14 GLN CD 1 1 9 2881 1 1 14 GLN CG C -0.850 -3.492 -3.925 1.00 . A A . 14 GLN CG 1 1 9 2882 1 1 14 GLN H H -1.656 -1.271 -0.099 1.00 . A A . 14 GLN H 1 1 9 2883 1 1 14 GLN HA H -2.553 -3.495 -1.718 1.00 . A A . 14 GLN HA 1 1 9 2884 1 1 14 GLN HB2 H -1.880 -1.733 -3.360 1.00 . A A . 14 GLN HB2 1 1 9 2885 1 1 14 GLN HB3 H -0.255 -1.771 -2.756 1.00 . A A . 14 GLN HB3 1 1 9 2886 1 1 14 GLN HE21 H 1.547 -2.649 -2.999 1.00 . A A . 14 GLN HE21 1 1 9 2887 1 1 14 GLN HE22 H 2.414 -4.120 -3.353 1.00 . A A . 14 GLN HE22 1 1 9 2888 1 1 14 GLN HG2 H -1.643 -4.238 -3.876 1.00 . A A . 14 GLN HG2 1 1 9 2889 1 1 14 GLN HG3 H -0.892 -3.044 -4.918 1.00 . A A . 14 GLN HG3 1 1 9 2890 1 1 14 GLN N N -2.251 -1.643 -0.835 1.00 . A A . 14 GLN N 1 1 9 2891 1 1 14 GLN NE2 N 1.573 -3.552 -3.443 1.00 . A A . 14 GLN NE2 1 1 9 2892 1 1 14 GLN O O -1.238 -4.397 0.205 1.00 . A A . 14 GLN O 1 1 9 2893 1 1 14 GLN OE1 O 0.622 -5.352 -4.220 1.00 . A A . 14 GLN OE1 1 1 9 2894 1 1 15 TYR C C 2.749 -2.699 0.447 1.00 . A A . 15 TYR C 1 1 9 2895 1 1 15 TYR CA C 1.607 -3.749 0.292 1.00 . A A . 15 TYR CA 1 1 9 2896 1 1 15 TYR CB C 2.115 -5.104 -0.264 1.00 . A A . 15 TYR CB 1 1 9 2897 1 1 15 TYR CD1 C 1.308 -6.965 1.252 1.00 . A A . 15 TYR CD1 1 1 9 2898 1 1 15 TYR CD2 C 0.381 -6.819 -0.992 1.00 . A A . 15 TYR CD2 1 1 9 2899 1 1 15 TYR CE1 C 0.502 -8.090 1.517 1.00 . A A . 15 TYR CE1 1 1 9 2900 1 1 15 TYR CE2 C -0.432 -7.939 -0.736 1.00 . A A . 15 TYR CE2 1 1 9 2901 1 1 15 TYR CG C 1.238 -6.314 0.007 1.00 . A A . 15 TYR CG 1 1 9 2902 1 1 15 TYR CZ C -0.377 -8.573 0.522 1.00 . A A . 15 TYR CZ 1 1 9 2903 1 1 15 TYR H H 0.813 -2.466 -1.156 1.00 . A A . 15 TYR H 1 1 9 2904 1 1 15 TYR HA H 1.215 -3.931 1.292 1.00 . A A . 15 TYR HA 1 1 9 2905 1 1 15 TYR HB2 H 2.254 -5.020 -1.336 1.00 . A A . 15 TYR HB2 1 1 9 2906 1 1 15 TYR HB3 H 3.095 -5.321 0.150 1.00 . A A . 15 TYR HB3 1 1 9 2907 1 1 15 TYR HD1 H 2.002 -6.597 1.990 1.00 . A A . 15 TYR HD1 1 1 9 2908 1 1 15 TYR HD2 H 0.339 -6.340 -1.956 1.00 . A A . 15 TYR HD2 1 1 9 2909 1 1 15 TYR HE1 H 0.567 -8.579 2.475 1.00 . A A . 15 TYR HE1 1 1 9 2910 1 1 15 TYR HE2 H -1.102 -8.312 -1.495 1.00 . A A . 15 TYR HE2 1 1 9 2911 1 1 15 TYR HH H -1.059 -9.924 1.687 1.00 . A A . 15 TYR HH 1 1 9 2912 1 1 15 TYR N N 0.533 -3.238 -0.570 1.00 . A A . 15 TYR N 1 1 9 2913 1 1 15 TYR O O 3.821 -2.852 -0.130 1.00 . A A . 15 TYR O 1 1 9 2914 1 1 15 TYR OH O -1.160 -9.656 0.775 1.00 . A A . 15 TYR OH 1 1 9 2915 1 1 16 TRP C C 4.240 0.373 1.083 1.00 . A A . 16 TRP C 1 1 9 2916 1 1 16 TRP CA C 3.535 -0.754 1.911 1.00 . A A . 16 TRP CA 1 1 9 2917 1 1 16 TRP CB C 4.484 -1.702 2.697 1.00 . A A . 16 TRP CB 1 1 9 2918 1 1 16 TRP CD1 C 6.860 -0.949 3.100 1.00 . A A . 16 TRP CD1 1 1 9 2919 1 1 16 TRP CD2 C 5.768 -1.340 5.018 1.00 . A A . 16 TRP CD2 1 1 9 2920 1 1 16 TRP CE2 C 7.117 -1.043 5.366 1.00 . A A . 16 TRP CE2 1 1 9 2921 1 1 16 TRP CE3 C 4.922 -1.715 6.081 1.00 . A A . 16 TRP CE3 1 1 9 2922 1 1 16 TRP CG C 5.625 -1.243 3.562 1.00 . A A . 16 TRP CG 1 1 9 2923 1 1 16 TRP CH2 C 6.688 -1.373 7.727 1.00 . A A . 16 TRP CH2 1 1 9 2924 1 1 16 TRP CZ2 C 7.571 -1.021 6.694 1.00 . A A . 16 TRP CZ2 1 1 9 2925 1 1 16 TRP CZ3 C 5.365 -1.727 7.417 1.00 . A A . 16 TRP CZ3 1 1 9 2926 1 1 16 TRP H H 1.562 -1.565 1.535 1.00 . A A . 16 TRP H 1 1 9 2927 1 1 16 TRP HA H 2.971 -0.218 2.662 1.00 . A A . 16 TRP HA 1 1 9 2928 1 1 16 TRP HB2 H 3.845 -2.306 3.339 1.00 . A A . 16 TRP HB2 1 1 9 2929 1 1 16 TRP HB3 H 4.938 -2.392 1.990 1.00 . A A . 16 TRP HB3 1 1 9 2930 1 1 16 TRP HD1 H 7.126 -0.907 2.049 1.00 . A A . 16 TRP HD1 1 1 9 2931 1 1 16 TRP HE1 H 8.748 -0.831 4.033 1.00 . A A . 16 TRP HE1 1 1 9 2932 1 1 16 TRP HE3 H 3.927 -2.038 5.853 1.00 . A A . 16 TRP HE3 1 1 9 2933 1 1 16 TRP HH2 H 7.038 -1.438 8.749 1.00 . A A . 16 TRP HH2 1 1 9 2934 1 1 16 TRP HZ2 H 8.599 -0.810 6.924 1.00 . A A . 16 TRP HZ2 1 1 9 2935 1 1 16 TRP HZ3 H 4.703 -2.060 8.204 1.00 . A A . 16 TRP HZ3 1 1 9 2936 1 1 16 TRP N N 2.529 -1.625 1.232 1.00 . A A . 16 TRP N 1 1 9 2937 1 1 16 TRP NE1 N 7.748 -0.888 4.156 1.00 . A A . 16 TRP NE1 1 1 9 2938 1 1 16 TRP O O 5.355 0.203 0.610 1.00 . A A . 16 TRP O 1 1 9 2939 1 1 17 ASP C C 5.652 3.306 1.027 1.00 . A A . 17 ASP C 1 1 9 2940 1 1 17 ASP CA C 4.365 2.778 0.336 1.00 . A A . 17 ASP CA 1 1 9 2941 1 1 17 ASP CB C 3.457 4.026 0.208 1.00 . A A . 17 ASP CB 1 1 9 2942 1 1 17 ASP CG C 2.009 3.805 -0.171 1.00 . A A . 17 ASP CG 1 1 9 2943 1 1 17 ASP H H 2.766 1.767 1.354 1.00 . A A . 17 ASP H 1 1 9 2944 1 1 17 ASP HA H 4.642 2.476 -0.675 1.00 . A A . 17 ASP HA 1 1 9 2945 1 1 17 ASP HB2 H 3.467 4.566 1.156 1.00 . A A . 17 ASP HB2 1 1 9 2946 1 1 17 ASP HB3 H 3.890 4.693 -0.537 1.00 . A A . 17 ASP HB3 1 1 9 2947 1 1 17 ASP N N 3.700 1.611 1.001 1.00 . A A . 17 ASP N 1 1 9 2948 1 1 17 ASP O O 6.149 4.387 0.694 1.00 . A A . 17 ASP O 1 1 9 2949 1 1 17 ASP OD1 O 1.227 3.585 0.773 1.00 . A A . 17 ASP OD1 1 1 9 2950 1 1 17 ASP OD2 O 1.651 3.865 -1.366 1.00 . A A . 17 ASP OD2 1 1 9 2951 1 1 18 GLN C C 8.506 3.455 2.057 1.00 . A A . 18 GLN C 1 1 9 2952 1 1 18 GLN CA C 7.242 3.189 2.897 1.00 . A A . 18 GLN CA 1 1 9 2953 1 1 18 GLN CB C 7.517 2.217 4.046 1.00 . A A . 18 GLN CB 1 1 9 2954 1 1 18 GLN CD C 9.513 3.007 5.391 1.00 . A A . 18 GLN CD 1 1 9 2955 1 1 18 GLN CG C 7.999 2.858 5.354 1.00 . A A . 18 GLN CG 1 1 9 2956 1 1 18 GLN H H 5.829 1.701 2.200 1.00 . A A . 18 GLN H 1 1 9 2957 1 1 18 GLN HA H 6.883 4.131 3.309 1.00 . A A . 18 GLN HA 1 1 9 2958 1 1 18 GLN HB2 H 6.603 1.673 4.277 1.00 . A A . 18 GLN HB2 1 1 9 2959 1 1 18 GLN HB3 H 8.263 1.504 3.706 1.00 . A A . 18 GLN HB3 1 1 9 2960 1 1 18 GLN HE21 H 9.788 1.108 6.027 1.00 . A A . 18 GLN HE21 1 1 9 2961 1 1 18 GLN HE22 H 11.234 2.049 5.729 1.00 . A A . 18 GLN HE22 1 1 9 2962 1 1 18 GLN HG2 H 7.522 3.827 5.497 1.00 . A A . 18 GLN HG2 1 1 9 2963 1 1 18 GLN HG3 H 7.700 2.216 6.185 1.00 . A A . 18 GLN HG3 1 1 9 2964 1 1 18 GLN N N 6.160 2.646 2.069 1.00 . A A . 18 GLN N 1 1 9 2965 1 1 18 GLN NE2 N 10.233 1.974 5.767 1.00 . A A . 18 GLN NE2 1 1 9 2966 1 1 18 GLN O O 8.926 2.608 1.279 1.00 . A A . 18 GLN O 1 1 9 2967 1 1 18 GLN OE1 O 10.066 4.050 5.063 1.00 . A A . 18 GLN OE1 1 1 9 2968 1 1 19 HIS C C 11.561 4.483 1.324 1.00 . A A . 19 HIS C 1 1 9 2969 1 1 19 HIS CA C 10.183 5.202 1.352 1.00 . A A . 19 HIS CA 1 1 9 2970 1 1 19 HIS CB C 10.302 6.715 1.642 1.00 . A A . 19 HIS CB 1 1 9 2971 1 1 19 HIS CD2 C 11.731 8.265 3.098 1.00 . A A . 19 HIS CD2 1 1 9 2972 1 1 19 HIS CE1 C 11.959 7.014 4.915 1.00 . A A . 19 HIS CE1 1 1 9 2973 1 1 19 HIS CG C 11.029 7.104 2.914 1.00 . A A . 19 HIS CG 1 1 9 2974 1 1 19 HIS H H 8.637 5.257 2.843 1.00 . A A . 19 HIS H 1 1 9 2975 1 1 19 HIS HA H 9.817 5.114 0.327 1.00 . A A . 19 HIS HA 1 1 9 2976 1 1 19 HIS HB2 H 10.827 7.175 0.802 1.00 . A A . 19 HIS HB2 1 1 9 2977 1 1 19 HIS HB3 H 9.303 7.152 1.663 1.00 . A A . 19 HIS HB3 1 1 9 2978 1 1 19 HIS HD1 H 10.787 5.401 4.217 1.00 . A A . 19 HIS HD1 1 1 9 2979 1 1 19 HIS HD2 H 11.840 9.060 2.368 1.00 . A A . 19 HIS HD2 1 1 9 2980 1 1 19 HIS HE1 H 12.276 6.636 5.884 1.00 . A A . 19 HIS HE1 1 1 9 2981 1 1 19 HIS HE2 H 12.923 8.892 4.763 1.00 . A A . 19 HIS HE2 1 1 9 2982 1 1 19 HIS N N 9.119 4.637 2.213 1.00 . A A . 19 HIS N 1 1 9 2983 1 1 19 HIS ND1 N 11.176 6.336 4.055 1.00 . A A . 19 HIS ND1 1 1 9 2984 1 1 19 HIS NE2 N 12.306 8.195 4.356 1.00 . A A . 19 HIS NE2 1 1 9 2985 1 1 19 HIS O O 12.591 5.154 1.261 1.00 . A A . 19 HIS O 1 1 9 2986 1 1 20 ALA C C 12.450 1.031 0.430 1.00 . A A . 20 ALA C 1 1 9 2987 1 1 20 ALA CA C 12.800 2.315 1.226 1.00 . A A . 20 ALA CA 1 1 9 2988 1 1 20 ALA CB C 13.329 1.999 2.633 1.00 . A A . 20 ALA CB 1 1 9 2989 1 1 20 ALA H H 10.722 2.657 1.359 1.00 . A A . 20 ALA H 1 1 9 2990 1 1 20 ALA HA H 13.559 2.871 0.673 1.00 . A A . 20 ALA HA 1 1 9 2991 1 1 20 ALA HB1 H 13.636 2.921 3.130 1.00 . A A . 20 ALA HB1 1 1 9 2992 1 1 20 ALA HB2 H 12.545 1.518 3.220 1.00 . A A . 20 ALA HB2 1 1 9 2993 1 1 20 ALA HB3 H 14.182 1.322 2.573 1.00 . A A . 20 ALA HB3 1 1 9 2994 1 1 20 ALA N N 11.610 3.155 1.382 1.00 . A A . 20 ALA N 1 1 9 2995 1 1 20 ALA O O 11.290 0.625 0.431 1.00 . A A . 20 ALA O 1 1 9 2996 1 1 21 PRO C C 12.818 -2.084 -0.245 1.00 . A A . 21 PRO C 1 1 9 2997 1 1 21 PRO CA C 13.121 -0.820 -1.068 1.00 . A A . 21 PRO CA 1 1 9 2998 1 1 21 PRO CB C 14.369 -1.011 -1.937 1.00 . A A . 21 PRO CB 1 1 9 2999 1 1 21 PRO CD C 14.820 0.725 -0.354 1.00 . A A . 21 PRO CD 1 1 9 3000 1 1 21 PRO CG C 15.493 -0.452 -1.065 1.00 . A A . 21 PRO CG 1 1 9 3001 1 1 21 PRO HA H 12.262 -0.631 -1.715 1.00 . A A . 21 PRO HA 1 1 9 3002 1 1 21 PRO HB2 H 14.536 -2.056 -2.203 1.00 . A A . 21 PRO HB2 1 1 9 3003 1 1 21 PRO HB3 H 14.279 -0.405 -2.839 1.00 . A A . 21 PRO HB3 1 1 9 3004 1 1 21 PRO HD2 H 15.276 0.876 0.625 1.00 . A A . 21 PRO HD2 1 1 9 3005 1 1 21 PRO HD3 H 14.927 1.625 -0.962 1.00 . A A . 21 PRO HD3 1 1 9 3006 1 1 21 PRO HG2 H 15.795 -1.203 -0.333 1.00 . A A . 21 PRO HG2 1 1 9 3007 1 1 21 PRO HG3 H 16.349 -0.135 -1.662 1.00 . A A . 21 PRO HG3 1 1 9 3008 1 1 21 PRO N N 13.410 0.369 -0.251 1.00 . A A . 21 PRO N 1 1 9 3009 1 1 21 PRO O O 12.283 -3.048 -0.783 1.00 . A A . 21 PRO O 1 1 9 3010 1 1 22 LEU C C 12.652 -2.328 3.416 1.00 . A A . 22 LEU C 1 1 9 3011 1 1 22 LEU CA C 12.816 -3.054 2.072 1.00 . A A . 22 LEU CA 1 1 9 3012 1 1 22 LEU CB C 13.857 -4.194 2.086 1.00 . A A . 22 LEU CB 1 1 9 3013 1 1 22 LEU CD1 C 15.589 -3.670 3.911 1.00 . A A . 22 LEU CD1 1 1 9 3014 1 1 22 LEU CD2 C 16.264 -4.877 1.858 1.00 . A A . 22 LEU CD2 1 1 9 3015 1 1 22 LEU CG C 15.317 -3.809 2.411 1.00 . A A . 22 LEU CG 1 1 9 3016 1 1 22 LEU H H 13.503 -1.201 1.416 1.00 . A A . 22 LEU H 1 1 9 3017 1 1 22 LEU HA H 11.854 -3.499 1.830 1.00 . A A . 22 LEU HA 1 1 9 3018 1 1 22 LEU HB2 H 13.531 -4.970 2.781 1.00 . A A . 22 LEU HB2 1 1 9 3019 1 1 22 LEU HB3 H 13.835 -4.647 1.094 1.00 . A A . 22 LEU HB3 1 1 9 3020 1 1 22 LEU HD11 H 16.657 -3.575 4.094 1.00 . A A . 22 LEU HD11 1 1 9 3021 1 1 22 LEU HD12 H 15.226 -4.556 4.441 1.00 . A A . 22 LEU HD12 1 1 9 3022 1 1 22 LEU HD13 H 15.093 -2.789 4.311 1.00 . A A . 22 LEU HD13 1 1 9 3023 1 1 22 LEU HD21 H 17.297 -4.598 2.063 1.00 . A A . 22 LEU HD21 1 1 9 3024 1 1 22 LEU HD22 H 16.129 -4.977 0.781 1.00 . A A . 22 LEU HD22 1 1 9 3025 1 1 22 LEU HD23 H 16.050 -5.836 2.335 1.00 . A A . 22 LEU HD23 1 1 9 3026 1 1 22 LEU HG H 15.569 -2.868 1.922 1.00 . A A . 22 LEU HG 1 1 9 3027 1 1 22 LEU N N 13.152 -2.070 1.045 1.00 . A A . 22 LEU N 1 1 9 3028 1 1 22 LEU O O 12.852 -1.110 3.489 1.00 . A A . 22 LEU O 1 1 9 3029 1 1 23 ALA C C 12.691 -3.583 6.866 1.00 . A A . 23 ALA C 1 1 9 3030 1 1 23 ALA CA C 12.268 -2.525 5.838 1.00 . A A . 23 ALA CA 1 1 9 3031 1 1 23 ALA CB C 10.861 -1.991 6.122 1.00 . A A . 23 ALA CB 1 1 9 3032 1 1 23 ALA H H 12.218 -4.059 4.372 1.00 . A A . 23 ALA H 1 1 9 3033 1 1 23 ALA HA H 12.979 -1.703 5.924 1.00 . A A . 23 ALA HA 1 1 9 3034 1 1 23 ALA HB1 H 10.608 -1.215 5.401 1.00 . A A . 23 ALA HB1 1 1 9 3035 1 1 23 ALA HB2 H 10.139 -2.808 6.054 1.00 . A A . 23 ALA HB2 1 1 9 3036 1 1 23 ALA HB3 H 10.835 -1.582 7.132 1.00 . A A . 23 ALA HB3 1 1 9 3037 1 1 23 ALA N N 12.297 -3.053 4.473 1.00 . A A . 23 ALA N 1 1 9 3038 1 1 23 ALA O O 13.461 -3.270 7.775 1.00 . A A . 23 ALA O 1 1 9 3039 1 1 24 ASP C C 13.667 -6.812 6.683 1.00 . A A . 24 ASP C 1 1 9 3040 1 1 24 ASP CA C 12.505 -6.052 7.363 1.00 . A A . 24 ASP CA 1 1 9 3041 1 1 24 ASP CB C 11.207 -6.904 7.414 1.00 . A A . 24 ASP CB 1 1 9 3042 1 1 24 ASP CG C 9.894 -6.102 7.597 1.00 . A A . 24 ASP CG 1 1 9 3043 1 1 24 ASP H H 11.439 -4.912 6.001 1.00 . A A . 24 ASP H 1 1 9 3044 1 1 24 ASP HA H 12.818 -5.829 8.382 1.00 . A A . 24 ASP HA 1 1 9 3045 1 1 24 ASP HB2 H 11.125 -7.471 6.483 1.00 . A A . 24 ASP HB2 1 1 9 3046 1 1 24 ASP HB3 H 11.303 -7.623 8.231 1.00 . A A . 24 ASP HB3 1 1 9 3047 1 1 24 ASP N N 12.187 -4.799 6.673 1.00 . A A . 24 ASP N 1 1 9 3048 1 1 24 ASP O O 14.379 -7.543 7.412 1.00 . A A . 24 ASP O 1 1 9 3049 1 1 24 ASP OXT O 13.845 -6.643 5.452 1.00 . A A . 24 ASP OXT 1 1 9 3050 1 1 24 ASP OD1 O 9.427 -5.496 6.595 1.00 . A A . 24 ASP OD1 1 1 9 3051 1 1 24 ASP OD2 O 9.341 -6.106 8.722 1.00 . A A . 24 ASP OD2 1 1 10 3052 1 1 1 GLY C C 1.932 -0.302 -2.387 1.00 . A A . 1 GLY C 1 1 10 3053 1 1 1 GLY CA C 1.295 0.775 -1.484 1.00 . A A . 1 GLY CA 1 1 10 3054 1 1 1 GLY H1 H 1.260 -0.484 0.236 1.00 . A A . 1 GLY H1 1 1 10 3055 1 1 1 GLY HA2 H 0.464 1.224 -2.027 1.00 . A A . 1 GLY HA2 1 1 10 3056 1 1 1 GLY HA3 H 2.068 1.519 -1.338 1.00 . A A . 1 GLY HA3 1 1 10 3057 1 1 1 GLY N N 0.822 0.336 -0.159 1.00 . A A . 1 GLY N 1 1 10 3058 1 1 1 GLY O O 1.872 -1.491 -2.086 1.00 . A A . 1 GLY O 1 1 10 3059 1 1 2 PRO C C 4.385 -1.421 -4.321 1.00 . A A . 2 PRO C 1 1 10 3060 1 1 2 PRO CA C 2.950 -0.891 -4.580 1.00 . A A . 2 PRO CA 1 1 10 3061 1 1 2 PRO CB C 2.814 -0.110 -5.898 1.00 . A A . 2 PRO CB 1 1 10 3062 1 1 2 PRO CD C 2.464 1.413 -4.099 1.00 . A A . 2 PRO CD 1 1 10 3063 1 1 2 PRO CG C 3.119 1.325 -5.475 1.00 . A A . 2 PRO CG 1 1 10 3064 1 1 2 PRO HA H 2.286 -1.755 -4.625 1.00 . A A . 2 PRO HA 1 1 10 3065 1 1 2 PRO HB2 H 3.484 -0.456 -6.686 1.00 . A A . 2 PRO HB2 1 1 10 3066 1 1 2 PRO HB3 H 1.782 -0.166 -6.247 1.00 . A A . 2 PRO HB3 1 1 10 3067 1 1 2 PRO HD2 H 3.024 2.090 -3.455 1.00 . A A . 2 PRO HD2 1 1 10 3068 1 1 2 PRO HD3 H 1.435 1.760 -4.209 1.00 . A A . 2 PRO HD3 1 1 10 3069 1 1 2 PRO HG2 H 4.196 1.471 -5.382 1.00 . A A . 2 PRO HG2 1 1 10 3070 1 1 2 PRO HG3 H 2.686 2.047 -6.165 1.00 . A A . 2 PRO HG3 1 1 10 3071 1 1 2 PRO N N 2.467 0.058 -3.566 1.00 . A A . 2 PRO N 1 1 10 3072 1 1 2 PRO O O 5.290 -1.178 -5.117 1.00 . A A . 2 PRO O 1 1 10 3073 1 1 3 THR C C 5.614 -4.256 -2.298 1.00 . A A . 3 THR C 1 1 10 3074 1 1 3 THR CA C 5.882 -2.850 -2.899 1.00 . A A . 3 THR CA 1 1 10 3075 1 1 3 THR CB C 6.712 -1.874 -2.032 1.00 . A A . 3 THR CB 1 1 10 3076 1 1 3 THR CG2 C 7.065 -2.250 -0.600 1.00 . A A . 3 THR CG2 1 1 10 3077 1 1 3 THR H H 3.838 -2.355 -2.590 1.00 . A A . 3 THR H 1 1 10 3078 1 1 3 THR HA H 6.433 -3.013 -3.826 1.00 . A A . 3 THR HA 1 1 10 3079 1 1 3 THR HB H 6.180 -0.922 -1.992 1.00 . A A . 3 THR HB 1 1 10 3080 1 1 3 THR HG1 H 8.341 -0.878 -2.214 1.00 . A A . 3 THR HG1 1 1 10 3081 1 1 3 THR HG21 H 7.385 -1.348 -0.088 1.00 . A A . 3 THR HG21 1 1 10 3082 1 1 3 THR HG22 H 7.890 -2.948 -0.584 1.00 . A A . 3 THR HG22 1 1 10 3083 1 1 3 THR HG23 H 6.201 -2.669 -0.093 1.00 . A A . 3 THR HG23 1 1 10 3084 1 1 3 THR N N 4.600 -2.184 -3.242 1.00 . A A . 3 THR N 1 1 10 3085 1 1 3 THR O O 4.457 -4.671 -2.309 1.00 . A A . 3 THR O 1 1 10 3086 1 1 3 THR OG1 O 7.948 -1.632 -2.661 1.00 . A A . 3 THR OG1 1 1 10 3087 1 1 4 PRO C C 6.077 -6.554 0.207 1.00 . A A . 4 PRO C 1 1 10 3088 1 1 4 PRO CA C 6.327 -6.423 -1.323 1.00 . A A . 4 PRO CA 1 1 10 3089 1 1 4 PRO CB C 7.499 -7.304 -1.779 1.00 . A A . 4 PRO CB 1 1 10 3090 1 1 4 PRO CD C 7.948 -5.052 -2.468 1.00 . A A . 4 PRO CD 1 1 10 3091 1 1 4 PRO CG C 8.649 -6.329 -2.007 1.00 . A A . 4 PRO CG 1 1 10 3092 1 1 4 PRO HA H 5.433 -6.830 -1.798 1.00 . A A . 4 PRO HA 1 1 10 3093 1 1 4 PRO HB2 H 7.768 -8.066 -1.045 1.00 . A A . 4 PRO HB2 1 1 10 3094 1 1 4 PRO HB3 H 7.241 -7.780 -2.726 1.00 . A A . 4 PRO HB3 1 1 10 3095 1 1 4 PRO HD2 H 8.524 -4.182 -2.160 1.00 . A A . 4 PRO HD2 1 1 10 3096 1 1 4 PRO HD3 H 7.868 -5.063 -3.557 1.00 . A A . 4 PRO HD3 1 1 10 3097 1 1 4 PRO HG2 H 9.173 -6.157 -1.070 1.00 . A A . 4 PRO HG2 1 1 10 3098 1 1 4 PRO HG3 H 9.346 -6.696 -2.761 1.00 . A A . 4 PRO HG3 1 1 10 3099 1 1 4 PRO N N 6.605 -5.085 -1.894 1.00 . A A . 4 PRO N 1 1 10 3100 1 1 4 PRO O O 5.706 -7.643 0.635 1.00 . A A . 4 PRO O 1 1 10 3101 1 1 5 MET C C 4.704 -5.336 3.039 1.00 . A A . 5 MET C 1 1 10 3102 1 1 5 MET CA C 6.128 -5.623 2.526 1.00 . A A . 5 MET CA 1 1 10 3103 1 1 5 MET CB C 7.138 -4.685 3.222 1.00 . A A . 5 MET CB 1 1 10 3104 1 1 5 MET CE C 9.528 -4.579 1.079 1.00 . A A . 5 MET CE 1 1 10 3105 1 1 5 MET CG C 8.479 -5.365 3.542 1.00 . A A . 5 MET CG 1 1 10 3106 1 1 5 MET H H 6.441 -4.620 0.637 1.00 . A A . 5 MET H 1 1 10 3107 1 1 5 MET HA H 6.359 -6.647 2.828 1.00 . A A . 5 MET HA 1 1 10 3108 1 1 5 MET HB2 H 7.306 -3.797 2.611 1.00 . A A . 5 MET HB2 1 1 10 3109 1 1 5 MET HB3 H 6.728 -4.341 4.172 1.00 . A A . 5 MET HB3 1 1 10 3110 1 1 5 MET HE1 H 8.647 -4.564 0.450 1.00 . A A . 5 MET HE1 1 1 10 3111 1 1 5 MET HE2 H 9.551 -3.672 1.677 1.00 . A A . 5 MET HE2 1 1 10 3112 1 1 5 MET HE3 H 10.416 -4.639 0.448 1.00 . A A . 5 MET HE3 1 1 10 3113 1 1 5 MET HG2 H 9.111 -4.645 4.062 1.00 . A A . 5 MET HG2 1 1 10 3114 1 1 5 MET HG3 H 8.299 -6.185 4.240 1.00 . A A . 5 MET HG3 1 1 10 3115 1 1 5 MET N N 6.252 -5.519 1.045 1.00 . A A . 5 MET N 1 1 10 3116 1 1 5 MET O O 3.894 -4.738 2.340 1.00 . A A . 5 MET O 1 1 10 3117 1 1 5 MET SD S 9.434 -6.028 2.149 1.00 . A A . 5 MET SD 1 1 10 3118 1 1 6 VAL C C 2.926 -4.475 5.930 1.00 . A A . 6 VAL C 1 1 10 3119 1 1 6 VAL CA C 3.010 -5.550 4.841 1.00 . A A . 6 VAL CA 1 1 10 3120 1 1 6 VAL CB C 2.448 -6.915 5.289 1.00 . A A . 6 VAL CB 1 1 10 3121 1 1 6 VAL CG1 C 3.148 -7.497 6.522 1.00 . A A . 6 VAL CG1 1 1 10 3122 1 1 6 VAL CG2 C 0.938 -6.842 5.557 1.00 . A A . 6 VAL CG2 1 1 10 3123 1 1 6 VAL H H 5.094 -6.091 4.879 1.00 . A A . 6 VAL H 1 1 10 3124 1 1 6 VAL HA H 2.361 -5.211 4.035 1.00 . A A . 6 VAL HA 1 1 10 3125 1 1 6 VAL HB H 2.584 -7.613 4.463 1.00 . A A . 6 VAL HB 1 1 10 3126 1 1 6 VAL HG11 H 4.217 -7.595 6.334 1.00 . A A . 6 VAL HG11 1 1 10 3127 1 1 6 VAL HG12 H 2.998 -6.850 7.387 1.00 . A A . 6 VAL HG12 1 1 10 3128 1 1 6 VAL HG13 H 2.744 -8.484 6.746 1.00 . A A . 6 VAL HG13 1 1 10 3129 1 1 6 VAL HG21 H 0.423 -6.427 4.690 1.00 . A A . 6 VAL HG21 1 1 10 3130 1 1 6 VAL HG22 H 0.557 -7.847 5.735 1.00 . A A . 6 VAL HG22 1 1 10 3131 1 1 6 VAL HG23 H 0.736 -6.232 6.437 1.00 . A A . 6 VAL HG23 1 1 10 3132 1 1 6 VAL N N 4.375 -5.697 4.287 1.00 . A A . 6 VAL N 1 1 10 3133 1 1 6 VAL O O 3.826 -4.323 6.749 1.00 . A A . 6 VAL O 1 1 10 3134 1 1 7 GLY C C 1.797 -1.227 6.095 1.00 . A A . 7 GLY C 1 1 10 3135 1 1 7 GLY CA C 1.619 -2.564 6.823 1.00 . A A . 7 GLY CA 1 1 10 3136 1 1 7 GLY H H 1.144 -3.890 5.219 1.00 . A A . 7 GLY H 1 1 10 3137 1 1 7 GLY HA2 H 0.610 -2.604 7.230 1.00 . A A . 7 GLY HA2 1 1 10 3138 1 1 7 GLY HA3 H 2.327 -2.599 7.653 1.00 . A A . 7 GLY HA3 1 1 10 3139 1 1 7 GLY N N 1.823 -3.720 5.945 1.00 . A A . 7 GLY N 1 1 10 3140 1 1 7 GLY O O 1.968 -1.189 4.878 1.00 . A A . 7 GLY O 1 1 10 3141 1 1 8 LEU C C 0.848 1.825 5.481 1.00 . A A . 8 LEU C 1 1 10 3142 1 1 8 LEU CA C 1.918 1.281 6.448 1.00 . A A . 8 LEU CA 1 1 10 3143 1 1 8 LEU CB C 3.351 1.490 5.899 1.00 . A A . 8 LEU CB 1 1 10 3144 1 1 8 LEU CD1 C 3.176 4.048 5.545 1.00 . A A . 8 LEU CD1 1 1 10 3145 1 1 8 LEU CD2 C 4.356 3.150 7.540 1.00 . A A . 8 LEU CD2 1 1 10 3146 1 1 8 LEU CG C 3.997 2.876 6.079 1.00 . A A . 8 LEU CG 1 1 10 3147 1 1 8 LEU H H 1.579 -0.289 7.836 1.00 . A A . 8 LEU H 1 1 10 3148 1 1 8 LEU HA H 1.829 1.874 7.358 1.00 . A A . 8 LEU HA 1 1 10 3149 1 1 8 LEU HB2 H 4.017 0.778 6.379 1.00 . A A . 8 LEU HB2 1 1 10 3150 1 1 8 LEU HB3 H 3.362 1.253 4.835 1.00 . A A . 8 LEU HB3 1 1 10 3151 1 1 8 LEU HD11 H 2.850 3.837 4.525 1.00 . A A . 8 LEU HD11 1 1 10 3152 1 1 8 LEU HD12 H 3.782 4.954 5.537 1.00 . A A . 8 LEU HD12 1 1 10 3153 1 1 8 LEU HD13 H 2.303 4.222 6.178 1.00 . A A . 8 LEU HD13 1 1 10 3154 1 1 8 LEU HD21 H 4.882 4.102 7.617 1.00 . A A . 8 LEU HD21 1 1 10 3155 1 1 8 LEU HD22 H 5.002 2.354 7.911 1.00 . A A . 8 LEU HD22 1 1 10 3156 1 1 8 LEU HD23 H 3.454 3.192 8.149 1.00 . A A . 8 LEU HD23 1 1 10 3157 1 1 8 LEU HG H 4.931 2.865 5.520 1.00 . A A . 8 LEU HG 1 1 10 3158 1 1 8 LEU N N 1.743 -0.127 6.855 1.00 . A A . 8 LEU N 1 1 10 3159 1 1 8 LEU O O 0.228 2.838 5.780 1.00 . A A . 8 LEU O 1 1 10 3160 1 1 9 ASP C C -1.251 2.486 3.254 1.00 . A A . 9 ASP C 1 1 10 3161 1 1 9 ASP CA C 0.073 1.716 3.090 1.00 . A A . 9 ASP CA 1 1 10 3162 1 1 9 ASP CB C -0.034 0.559 2.088 1.00 . A A . 9 ASP CB 1 1 10 3163 1 1 9 ASP CG C -0.097 0.956 0.602 1.00 . A A . 9 ASP CG 1 1 10 3164 1 1 9 ASP H H 1.117 0.280 4.271 1.00 . A A . 9 ASP H 1 1 10 3165 1 1 9 ASP HA H 0.790 2.432 2.701 1.00 . A A . 9 ASP HA 1 1 10 3166 1 1 9 ASP HB2 H 0.833 -0.086 2.236 1.00 . A A . 9 ASP HB2 1 1 10 3167 1 1 9 ASP HB3 H -0.918 -0.026 2.342 1.00 . A A . 9 ASP HB3 1 1 10 3168 1 1 9 ASP N N 0.640 1.173 4.337 1.00 . A A . 9 ASP N 1 1 10 3169 1 1 9 ASP O O -1.355 3.592 2.738 1.00 . A A . 9 ASP O 1 1 10 3170 1 1 9 ASP OD1 O -1.277 1.033 0.181 1.00 . A A . 9 ASP OD1 1 1 10 3171 1 1 10 SER C C -4.393 3.346 3.736 1.00 . A A . 10 SER C 1 1 10 3172 1 1 10 SER CA C -3.414 2.562 4.633 1.00 . A A . 10 SER CA 1 1 10 3173 1 1 10 SER CB C -3.019 3.445 5.824 1.00 . A A . 10 SER CB 1 1 10 3174 1 1 10 SER H H -1.949 1.045 4.407 1.00 . A A . 10 SER H 1 1 10 3175 1 1 10 SER HA H -4.007 1.751 5.055 1.00 . A A . 10 SER HA 1 1 10 3176 1 1 10 SER HB2 H -2.445 4.302 5.466 1.00 . A A . 10 SER HB2 1 1 10 3177 1 1 10 SER HB3 H -3.917 3.805 6.327 1.00 . A A . 10 SER HB3 1 1 10 3178 1 1 10 SER HG H -1.316 2.775 6.428 1.00 . A A . 10 SER HG 1 1 10 3179 1 1 10 SER N N -2.199 1.949 4.037 1.00 . A A . 10 SER N 1 1 10 3180 1 1 10 SER O O -5.494 3.653 4.187 1.00 . A A . 10 SER O 1 1 10 3181 1 1 10 SER OG O -2.238 2.714 6.749 1.00 . A A . 10 SER OG 1 1 10 3182 1 1 11 VAL C C -4.708 4.055 0.160 1.00 . A A . 11 VAL C 1 1 10 3183 1 1 11 VAL CA C -4.745 4.588 1.590 1.00 . A A . 11 VAL CA 1 1 10 3184 1 1 11 VAL CB C -4.143 6.012 1.649 1.00 . A A . 11 VAL CB 1 1 10 3185 1 1 11 VAL CG1 C -4.983 6.997 0.827 1.00 . A A . 11 VAL CG1 1 1 10 3186 1 1 11 VAL CG2 C -4.053 6.575 3.077 1.00 . A A . 11 VAL CG2 1 1 10 3187 1 1 11 VAL H H -3.080 3.426 2.255 1.00 . A A . 11 VAL H 1 1 10 3188 1 1 11 VAL HA H -5.793 4.645 1.885 1.00 . A A . 11 VAL HA 1 1 10 3189 1 1 11 VAL HB H -3.134 5.992 1.239 1.00 . A A . 11 VAL HB 1 1 10 3190 1 1 11 VAL HG11 H -4.526 7.986 0.849 1.00 . A A . 11 VAL HG11 1 1 10 3191 1 1 11 VAL HG12 H -5.037 6.671 -0.212 1.00 . A A . 11 VAL HG12 1 1 10 3192 1 1 11 VAL HG13 H -5.992 7.053 1.235 1.00 . A A . 11 VAL HG13 1 1 10 3193 1 1 11 VAL HG21 H -5.033 6.546 3.554 1.00 . A A . 11 VAL HG21 1 1 10 3194 1 1 11 VAL HG22 H -3.347 5.987 3.663 1.00 . A A . 11 VAL HG22 1 1 10 3195 1 1 11 VAL HG23 H -3.689 7.603 3.050 1.00 . A A . 11 VAL HG23 1 1 10 3196 1 1 11 VAL N N -4.033 3.672 2.494 1.00 . A A . 11 VAL N 1 1 10 3197 1 1 11 VAL O O -5.759 3.888 -0.451 1.00 . A A . 11 VAL O 1 1 10 3198 1 1 12 SER C C -3.822 1.771 -1.890 1.00 . A A . 12 SER C 1 1 10 3199 1 1 12 SER CA C -3.332 3.219 -1.726 1.00 . A A . 12 SER CA 1 1 10 3200 1 1 12 SER CB C -1.860 3.310 -2.131 1.00 . A A . 12 SER CB 1 1 10 3201 1 1 12 SER H H -2.666 3.980 0.133 1.00 . A A . 12 SER H 1 1 10 3202 1 1 12 SER HA H -3.899 3.838 -2.421 1.00 . A A . 12 SER HA 1 1 10 3203 1 1 12 SER HB2 H -1.273 2.622 -1.534 1.00 . A A . 12 SER HB2 1 1 10 3204 1 1 12 SER HB3 H -1.747 3.039 -3.181 1.00 . A A . 12 SER HB3 1 1 10 3205 1 1 12 SER HG H -0.464 4.500 -1.514 1.00 . A A . 12 SER HG 1 1 10 3206 1 1 12 SER N N -3.515 3.760 -0.370 1.00 . A A . 12 SER N 1 1 10 3207 1 1 12 SER O O -4.040 1.323 -3.014 1.00 . A A . 12 SER O 1 1 10 3208 1 1 12 SER OG O -1.362 4.614 -1.926 1.00 . A A . 12 SER OG 1 1 10 3209 1 1 13 GLY C C -3.955 -1.492 -0.765 1.00 . A A . 13 GLY C 1 1 10 3210 1 1 13 GLY CA C -4.796 -0.211 -0.728 1.00 . A A . 13 GLY CA 1 1 10 3211 1 1 13 GLY H H -3.698 1.465 0.066 1.00 . A A . 13 GLY H 1 1 10 3212 1 1 13 GLY HA2 H -5.389 -0.235 0.185 1.00 . A A . 13 GLY HA2 1 1 10 3213 1 1 13 GLY HA3 H -5.486 -0.248 -1.573 1.00 . A A . 13 GLY HA3 1 1 10 3214 1 1 13 GLY N N -4.054 1.055 -0.782 1.00 . A A . 13 GLY N 1 1 10 3215 1 1 13 GLY O O -4.505 -2.548 -1.067 1.00 . A A . 13 GLY O 1 1 10 3216 1 1 14 GLN C C -0.493 -2.647 -0.047 1.00 . A A . 14 GLN C 1 1 10 3217 1 1 14 GLN CA C -1.696 -2.435 -1.018 1.00 . A A . 14 GLN CA 1 1 10 3218 1 1 14 GLN CB C -1.368 -2.006 -2.477 1.00 . A A . 14 GLN CB 1 1 10 3219 1 1 14 GLN CD C -0.446 -4.162 -3.591 1.00 . A A . 14 GLN CD 1 1 10 3220 1 1 14 GLN CG C -1.530 -3.086 -3.559 1.00 . A A . 14 GLN CG 1 1 10 3221 1 1 14 GLN H H -2.259 -0.513 -0.269 1.00 . A A . 14 GLN H 1 1 10 3222 1 1 14 GLN HA H -2.215 -3.395 -1.055 1.00 . A A . 14 GLN HA 1 1 10 3223 1 1 14 GLN HB2 H -2.049 -1.205 -2.781 1.00 . A A . 14 GLN HB2 1 1 10 3224 1 1 14 GLN HB3 H -0.395 -1.553 -2.545 1.00 . A A . 14 GLN HB3 1 1 10 3225 1 1 14 GLN HE21 H 1.108 -2.937 -2.997 1.00 . A A . 14 GLN HE21 1 1 10 3226 1 1 14 GLN HE22 H 1.461 -4.617 -3.377 1.00 . A A . 14 GLN HE22 1 1 10 3227 1 1 14 GLN HG2 H -2.506 -3.562 -3.443 1.00 . A A . 14 GLN HG2 1 1 10 3228 1 1 14 GLN HG3 H -1.533 -2.592 -4.531 1.00 . A A . 14 GLN HG3 1 1 10 3229 1 1 14 GLN N N -2.640 -1.420 -0.534 1.00 . A A . 14 GLN N 1 1 10 3230 1 1 14 GLN NE2 N 0.804 -3.855 -3.313 1.00 . A A . 14 GLN NE2 1 1 10 3231 1 1 14 GLN O O -0.484 -2.167 1.085 1.00 . A A . 14 GLN O 1 1 10 3232 1 1 14 GLN OE1 O -0.702 -5.314 -3.885 1.00 . A A . 14 GLN OE1 1 1 10 3233 1 1 15 TYR C C 2.796 -2.682 0.460 1.00 . A A . 15 TYR C 1 1 10 3234 1 1 15 TYR CA C 1.712 -3.801 0.342 1.00 . A A . 15 TYR CA 1 1 10 3235 1 1 15 TYR CB C 2.244 -5.105 -0.281 1.00 . A A . 15 TYR CB 1 1 10 3236 1 1 15 TYR CD1 C 1.373 -6.898 1.282 1.00 . A A . 15 TYR CD1 1 1 10 3237 1 1 15 TYR CD2 C 0.565 -6.863 -1.016 1.00 . A A . 15 TYR CD2 1 1 10 3238 1 1 15 TYR CE1 C 0.514 -7.977 1.571 1.00 . A A . 15 TYR CE1 1 1 10 3239 1 1 15 TYR CE2 C -0.290 -7.943 -0.734 1.00 . A A . 15 TYR CE2 1 1 10 3240 1 1 15 TYR CG C 1.380 -6.322 -0.002 1.00 . A A . 15 TYR CG 1 1 10 3241 1 1 15 TYR CZ C -0.327 -8.495 0.561 1.00 . A A . 15 TYR CZ 1 1 10 3242 1 1 15 TYR H H 0.445 -3.847 -1.341 1.00 . A A . 15 TYR H 1 1 10 3243 1 1 15 TYR HA H 1.419 -4.047 1.363 1.00 . A A . 15 TYR HA 1 1 10 3244 1 1 15 TYR HB2 H 2.302 -4.968 -1.356 1.00 . A A . 15 TYR HB2 1 1 10 3245 1 1 15 TYR HB3 H 3.252 -5.314 0.068 1.00 . A A . 15 TYR HB3 1 1 10 3246 1 1 15 TYR HD1 H 2.033 -6.500 2.038 1.00 . A A . 15 TYR HD1 1 1 10 3247 1 1 15 TYR HD2 H 0.586 -6.454 -2.015 1.00 . A A . 15 TYR HD2 1 1 10 3248 1 1 15 TYR HE1 H 0.498 -8.403 2.561 1.00 . A A . 15 TYR HE1 1 1 10 3249 1 1 15 TYR HE2 H -0.926 -8.348 -1.505 1.00 . A A . 15 TYR HE2 1 1 10 3250 1 1 15 TYR HH H -1.026 -9.865 1.713 1.00 . A A . 15 TYR HH 1 1 10 3251 1 1 15 TYR N N 0.506 -3.439 -0.422 1.00 . A A . 15 TYR N 1 1 10 3252 1 1 15 TYR O O 3.737 -2.608 -0.323 1.00 . A A . 15 TYR O 1 1 10 3253 1 1 15 TYR OH O -1.163 -9.533 0.826 1.00 . A A . 15 TYR OH 1 1 10 3254 1 1 16 TRP C C 4.242 0.237 1.157 1.00 . A A . 16 TRP C 1 1 10 3255 1 1 16 TRP CA C 3.709 -0.910 2.058 1.00 . A A . 16 TRP CA 1 1 10 3256 1 1 16 TRP CB C 4.822 -1.760 2.698 1.00 . A A . 16 TRP CB 1 1 10 3257 1 1 16 TRP CD1 C 7.062 -0.595 2.942 1.00 . A A . 16 TRP CD1 1 1 10 3258 1 1 16 TRP CD2 C 6.111 -1.035 4.924 1.00 . A A . 16 TRP CD2 1 1 10 3259 1 1 16 TRP CE2 C 7.362 -0.408 5.196 1.00 . A A . 16 TRP CE2 1 1 10 3260 1 1 16 TRP CE3 C 5.368 -1.468 6.042 1.00 . A A . 16 TRP CE3 1 1 10 3261 1 1 16 TRP CG C 5.928 -1.104 3.475 1.00 . A A . 16 TRP CG 1 1 10 3262 1 1 16 TRP CH2 C 7.024 -0.557 7.590 1.00 . A A . 16 TRP CH2 1 1 10 3263 1 1 16 TRP CZ2 C 7.808 -0.144 6.500 1.00 . A A . 16 TRP CZ2 1 1 10 3264 1 1 16 TRP CZ3 C 5.816 -1.237 7.357 1.00 . A A . 16 TRP CZ3 1 1 10 3265 1 1 16 TRP H H 1.852 -1.996 2.049 1.00 . A A . 16 TRP H 1 1 10 3266 1 1 16 TRP HA H 3.236 -0.406 2.896 1.00 . A A . 16 TRP HA 1 1 10 3267 1 1 16 TRP HB2 H 4.338 -2.452 3.385 1.00 . A A . 16 TRP HB2 1 1 10 3268 1 1 16 TRP HB3 H 5.285 -2.355 1.916 1.00 . A A . 16 TRP HB3 1 1 10 3269 1 1 16 TRP HD1 H 7.276 -0.552 1.881 1.00 . A A . 16 TRP HD1 1 1 10 3270 1 1 16 TRP HE1 H 8.875 0.075 3.778 1.00 . A A . 16 TRP HE1 1 1 10 3271 1 1 16 TRP HE3 H 4.458 -2.019 5.868 1.00 . A A . 16 TRP HE3 1 1 10 3272 1 1 16 TRP HH2 H 7.373 -0.417 8.604 1.00 . A A . 16 TRP HH2 1 1 10 3273 1 1 16 TRP HZ2 H 8.773 0.303 6.663 1.00 . A A . 16 TRP HZ2 1 1 10 3274 1 1 16 TRP HZ3 H 5.246 -1.620 8.194 1.00 . A A . 16 TRP HZ3 1 1 10 3275 1 1 16 TRP N N 2.680 -1.830 1.496 1.00 . A A . 16 TRP N 1 1 10 3276 1 1 16 TRP NE1 N 7.928 -0.229 3.953 1.00 . A A . 16 TRP NE1 1 1 10 3277 1 1 16 TRP O O 5.255 0.123 0.478 1.00 . A A . 16 TRP O 1 1 10 3278 1 1 17 ASP C C 5.232 3.428 1.071 1.00 . A A . 17 ASP C 1 1 10 3279 1 1 17 ASP CA C 3.977 2.680 0.544 1.00 . A A . 17 ASP CA 1 1 10 3280 1 1 17 ASP CB C 2.763 3.646 0.607 1.00 . A A . 17 ASP CB 1 1 10 3281 1 1 17 ASP CG C 2.082 3.902 -0.738 1.00 . A A . 17 ASP CG 1 1 10 3282 1 1 17 ASP H H 2.770 1.436 1.795 1.00 . A A . 17 ASP H 1 1 10 3283 1 1 17 ASP HA H 4.197 2.439 -0.498 1.00 . A A . 17 ASP HA 1 1 10 3284 1 1 17 ASP HB2 H 2.024 3.233 1.286 1.00 . A A . 17 ASP HB2 1 1 10 3285 1 1 17 ASP HB3 H 3.045 4.616 1.019 1.00 . A A . 17 ASP HB3 1 1 10 3286 1 1 17 ASP N N 3.612 1.417 1.245 1.00 . A A . 17 ASP N 1 1 10 3287 1 1 17 ASP O O 5.493 4.571 0.689 1.00 . A A . 17 ASP O 1 1 10 3288 1 1 17 ASP OD1 O 2.765 3.876 -1.780 1.00 . A A . 17 ASP OD1 1 1 10 3289 1 1 17 ASP OD2 O 0.839 4.027 -0.722 1.00 . A A . 17 ASP OD2 1 1 10 3290 1 1 18 GLN C C 8.254 3.940 1.754 1.00 . A A . 18 GLN C 1 1 10 3291 1 1 18 GLN CA C 7.056 3.648 2.682 1.00 . A A . 18 GLN CA 1 1 10 3292 1 1 18 GLN CB C 7.523 2.918 3.947 1.00 . A A . 18 GLN CB 1 1 10 3293 1 1 18 GLN CD C 9.312 3.602 5.602 1.00 . A A . 18 GLN CD 1 1 10 3294 1 1 18 GLN CG C 7.898 3.862 5.104 1.00 . A A . 18 GLN CG 1 1 10 3295 1 1 18 GLN H H 5.852 1.895 2.219 1.00 . A A . 18 GLN H 1 1 10 3296 1 1 18 GLN HA H 6.613 4.602 2.969 1.00 . A A . 18 GLN HA 1 1 10 3297 1 1 18 GLN HB2 H 6.732 2.254 4.294 1.00 . A A . 18 GLN HB2 1 1 10 3298 1 1 18 GLN HB3 H 8.383 2.302 3.684 1.00 . A A . 18 GLN HB3 1 1 10 3299 1 1 18 GLN HE21 H 8.737 2.462 7.184 1.00 . A A . 18 GLN HE21 1 1 10 3300 1 1 18 GLN HE22 H 10.464 2.696 6.914 1.00 . A A . 18 GLN HE22 1 1 10 3301 1 1 18 GLN HG2 H 7.845 4.902 4.782 1.00 . A A . 18 GLN HG2 1 1 10 3302 1 1 18 GLN HG3 H 7.189 3.724 5.921 1.00 . A A . 18 GLN HG3 1 1 10 3303 1 1 18 GLN N N 5.994 2.874 2.020 1.00 . A A . 18 GLN N 1 1 10 3304 1 1 18 GLN NE2 N 9.502 2.891 6.688 1.00 . A A . 18 GLN NE2 1 1 10 3305 1 1 18 GLN O O 8.624 3.128 0.916 1.00 . A A . 18 GLN O 1 1 10 3306 1 1 18 GLN OE1 O 10.278 4.070 5.019 1.00 . A A . 18 GLN OE1 1 1 10 3307 1 1 19 HIS C C 11.388 4.774 1.159 1.00 . A A . 19 HIS C 1 1 10 3308 1 1 19 HIS CA C 10.077 5.603 1.188 1.00 . A A . 19 HIS CA 1 1 10 3309 1 1 19 HIS CB C 10.341 7.065 1.616 1.00 . A A . 19 HIS CB 1 1 10 3310 1 1 19 HIS CD2 C 11.742 8.404 3.292 1.00 . A A . 19 HIS CD2 1 1 10 3311 1 1 19 HIS CE1 C 11.988 6.912 4.912 1.00 . A A . 19 HIS CE1 1 1 10 3312 1 1 19 HIS CG C 11.064 7.270 2.935 1.00 . A A . 19 HIS CG 1 1 10 3313 1 1 19 HIS H H 8.501 5.681 2.647 1.00 . A A . 19 HIS H 1 1 10 3314 1 1 19 HIS HA H 9.748 5.630 0.146 1.00 . A A . 19 HIS HA 1 1 10 3315 1 1 19 HIS HB2 H 10.949 7.531 0.838 1.00 . A A . 19 HIS HB2 1 1 10 3316 1 1 19 HIS HB3 H 9.395 7.607 1.643 1.00 . A A . 19 HIS HB3 1 1 10 3317 1 1 19 HIS HD1 H 10.878 5.388 3.994 1.00 . A A . 19 HIS HD1 1 1 10 3318 1 1 19 HIS HD2 H 11.833 9.298 2.686 1.00 . A A . 19 HIS HD2 1 1 10 3319 1 1 19 HIS HE1 H 12.288 6.408 5.827 1.00 . A A . 19 HIS HE1 1 1 10 3320 1 1 19 HIS HE2 H 12.893 8.813 5.056 1.00 . A A . 19 HIS HE2 1 1 10 3321 1 1 19 HIS N N 8.939 5.072 1.977 1.00 . A A . 19 HIS N 1 1 10 3322 1 1 19 HIS ND1 N 11.233 6.348 3.951 1.00 . A A . 19 HIS ND1 1 1 10 3323 1 1 19 HIS NE2 N 12.310 8.166 4.534 1.00 . A A . 19 HIS NE2 1 1 10 3324 1 1 19 HIS O O 12.464 5.359 1.043 1.00 . A A . 19 HIS O 1 1 10 3325 1 1 20 ALA C C 12.241 1.318 0.493 1.00 . A A . 20 ALA C 1 1 10 3326 1 1 20 ALA CA C 12.493 2.561 1.372 1.00 . A A . 20 ALA CA 1 1 10 3327 1 1 20 ALA CB C 12.736 2.188 2.839 1.00 . A A . 20 ALA CB 1 1 10 3328 1 1 20 ALA H H 10.429 3.007 1.266 1.00 . A A . 20 ALA H 1 1 10 3329 1 1 20 ALA HA H 13.371 3.083 0.989 1.00 . A A . 20 ALA HA 1 1 10 3330 1 1 20 ALA HB1 H 12.888 3.089 3.433 1.00 . A A . 20 ALA HB1 1 1 10 3331 1 1 20 ALA HB2 H 11.875 1.639 3.227 1.00 . A A . 20 ALA HB2 1 1 10 3332 1 1 20 ALA HB3 H 13.618 1.553 2.924 1.00 . A A . 20 ALA HB3 1 1 10 3333 1 1 20 ALA N N 11.340 3.456 1.332 1.00 . A A . 20 ALA N 1 1 10 3334 1 1 20 ALA O O 11.087 0.927 0.334 1.00 . A A . 20 ALA O 1 1 10 3335 1 1 21 PRO C C 12.656 -1.742 -0.202 1.00 . A A . 21 PRO C 1 1 10 3336 1 1 21 PRO CA C 13.120 -0.483 -0.948 1.00 . A A . 21 PRO CA 1 1 10 3337 1 1 21 PRO CB C 14.495 -0.690 -1.592 1.00 . A A . 21 PRO CB 1 1 10 3338 1 1 21 PRO CD C 14.698 1.019 0.073 1.00 . A A . 21 PRO CD 1 1 10 3339 1 1 21 PRO CG C 15.466 -0.154 -0.537 1.00 . A A . 21 PRO CG 1 1 10 3340 1 1 21 PRO HA H 12.385 -0.261 -1.723 1.00 . A A . 21 PRO HA 1 1 10 3341 1 1 21 PRO HB2 H 14.688 -1.740 -1.822 1.00 . A A . 21 PRO HB2 1 1 10 3342 1 1 21 PRO HB3 H 14.566 -0.083 -2.496 1.00 . A A . 21 PRO HB3 1 1 10 3343 1 1 21 PRO HD2 H 14.984 1.147 1.119 1.00 . A A . 21 PRO HD2 1 1 10 3344 1 1 21 PRO HD3 H 14.907 1.930 -0.490 1.00 . A A . 21 PRO HD3 1 1 10 3345 1 1 21 PRO HG2 H 15.639 -0.916 0.226 1.00 . A A . 21 PRO HG2 1 1 10 3346 1 1 21 PRO HG3 H 16.411 0.168 -0.978 1.00 . A A . 21 PRO HG3 1 1 10 3347 1 1 21 PRO N N 13.288 0.677 -0.065 1.00 . A A . 21 PRO N 1 1 10 3348 1 1 21 PRO O O 11.989 -2.593 -0.782 1.00 . A A . 21 PRO O 1 1 10 3349 1 1 22 LEU C C 12.521 -2.207 3.463 1.00 . A A . 22 LEU C 1 1 10 3350 1 1 22 LEU CA C 12.493 -2.809 2.051 1.00 . A A . 22 LEU CA 1 1 10 3351 1 1 22 LEU CB C 13.257 -4.144 1.944 1.00 . A A . 22 LEU CB 1 1 10 3352 1 1 22 LEU CD1 C 15.192 -4.886 3.422 1.00 . A A . 22 LEU CD1 1 1 10 3353 1 1 22 LEU CD2 C 15.586 -4.457 1.007 1.00 . A A . 22 LEU CD2 1 1 10 3354 1 1 22 LEU CG C 14.772 -4.032 2.230 1.00 . A A . 22 LEU CG 1 1 10 3355 1 1 22 LEU H H 13.520 -1.081 1.486 1.00 . A A . 22 LEU H 1 1 10 3356 1 1 22 LEU HA H 11.453 -2.992 1.814 1.00 . A A . 22 LEU HA 1 1 10 3357 1 1 22 LEU HB2 H 12.805 -4.865 2.628 1.00 . A A . 22 LEU HB2 1 1 10 3358 1 1 22 LEU HB3 H 13.098 -4.546 0.943 1.00 . A A . 22 LEU HB3 1 1 10 3359 1 1 22 LEU HD11 H 14.645 -4.581 4.314 1.00 . A A . 22 LEU HD11 1 1 10 3360 1 1 22 LEU HD12 H 16.259 -4.784 3.610 1.00 . A A . 22 LEU HD12 1 1 10 3361 1 1 22 LEU HD13 H 14.957 -5.938 3.238 1.00 . A A . 22 LEU HD13 1 1 10 3362 1 1 22 LEU HD21 H 15.311 -3.840 0.153 1.00 . A A . 22 LEU HD21 1 1 10 3363 1 1 22 LEU HD22 H 15.377 -5.504 0.779 1.00 . A A . 22 LEU HD22 1 1 10 3364 1 1 22 LEU HD23 H 16.649 -4.340 1.214 1.00 . A A . 22 LEU HD23 1 1 10 3365 1 1 22 LEU HG H 15.033 -2.998 2.459 1.00 . A A . 22 LEU HG 1 1 10 3366 1 1 22 LEU N N 13.002 -1.845 1.082 1.00 . A A . 22 LEU N 1 1 10 3367 1 1 22 LEU O O 13.005 -1.087 3.653 1.00 . A A . 22 LEU O 1 1 10 3368 1 1 23 ALA C C 11.866 -3.723 6.825 1.00 . A A . 23 ALA C 1 1 10 3369 1 1 23 ALA CA C 11.881 -2.534 5.841 1.00 . A A . 23 ALA CA 1 1 10 3370 1 1 23 ALA CB C 10.615 -1.691 6.009 1.00 . A A . 23 ALA CB 1 1 10 3371 1 1 23 ALA H H 11.620 -3.850 4.189 1.00 . A A . 23 ALA H 1 1 10 3372 1 1 23 ALA HA H 12.748 -1.924 6.098 1.00 . A A . 23 ALA HA 1 1 10 3373 1 1 23 ALA HB1 H 10.651 -0.827 5.347 1.00 . A A . 23 ALA HB1 1 1 10 3374 1 1 23 ALA HB2 H 9.739 -2.301 5.776 1.00 . A A . 23 ALA HB2 1 1 10 3375 1 1 23 ALA HB3 H 10.543 -1.355 7.044 1.00 . A A . 23 ALA HB3 1 1 10 3376 1 1 23 ALA N N 11.965 -2.931 4.432 1.00 . A A . 23 ALA N 1 1 10 3377 1 1 23 ALA O O 11.825 -3.496 8.034 1.00 . A A . 23 ALA O 1 1 10 3378 1 1 24 ASP C C 12.806 -7.127 5.956 1.00 . A A . 24 ASP C 1 1 10 3379 1 1 24 ASP CA C 11.894 -6.280 6.872 1.00 . A A . 24 ASP CA 1 1 10 3380 1 1 24 ASP CB C 10.428 -6.791 6.913 1.00 . A A . 24 ASP CB 1 1 10 3381 1 1 24 ASP CG C 10.117 -7.935 7.902 1.00 . A A . 24 ASP CG 1 1 10 3382 1 1 24 ASP H H 12.084 -5.072 5.298 1.00 . A A . 24 ASP H 1 1 10 3383 1 1 24 ASP HA H 12.310 -6.267 7.880 1.00 . A A . 24 ASP HA 1 1 10 3384 1 1 24 ASP HB2 H 9.783 -5.956 7.195 1.00 . A A . 24 ASP HB2 1 1 10 3385 1 1 24 ASP HB3 H 10.132 -7.088 5.904 1.00 . A A . 24 ASP HB3 1 1 10 3386 1 1 24 ASP N N 11.894 -4.939 6.283 1.00 . A A . 24 ASP N 1 1 10 3387 1 1 24 ASP O O 12.788 -6.824 4.733 1.00 . A A . 24 ASP O 1 1 10 3388 1 1 24 ASP OXT O 13.617 -7.923 6.475 1.00 . A A . 24 ASP OXT 1 1 10 3389 1 1 24 ASP OD1 O 10.442 -7.787 9.105 1.00 . A A . 24 ASP OD1 1 1 10 3390 1 1 24 ASP OD2 O 9.410 -8.885 7.484 1.00 . A A . 24 ASP OD2 1 1 11 3391 1 1 1 GLY C C 1.773 -0.207 -2.411 1.00 . A A . 1 GLY C 1 1 11 3392 1 1 1 GLY CA C 0.944 0.822 -1.603 1.00 . A A . 1 GLY CA 1 1 11 3393 1 1 1 GLY H1 H 1.006 -0.400 0.114 1.00 . A A . 1 GLY H1 1 1 11 3394 1 1 1 GLY HA2 H 0.081 1.074 -2.212 1.00 . A A . 1 GLY HA2 1 1 11 3395 1 1 1 GLY HA3 H 1.545 1.722 -1.490 1.00 . A A . 1 GLY HA3 1 1 11 3396 1 1 1 GLY N N 0.489 0.377 -0.274 1.00 . A A . 1 GLY N 1 1 11 3397 1 1 1 GLY O O 1.746 -1.407 -2.125 1.00 . A A . 1 GLY O 1 1 11 3398 1 1 2 PRO C C 4.480 -1.147 -4.058 1.00 . A A . 2 PRO C 1 1 11 3399 1 1 2 PRO CA C 3.066 -0.690 -4.496 1.00 . A A . 2 PRO CA 1 1 11 3400 1 1 2 PRO CB C 3.078 0.114 -5.804 1.00 . A A . 2 PRO CB 1 1 11 3401 1 1 2 PRO CD C 2.397 1.568 -4.029 1.00 . A A . 2 PRO CD 1 1 11 3402 1 1 2 PRO CG C 3.221 1.558 -5.317 1.00 . A A . 2 PRO CG 1 1 11 3403 1 1 2 PRO HA H 2.462 -1.583 -4.661 1.00 . A A . 2 PRO HA 1 1 11 3404 1 1 2 PRO HB2 H 3.889 -0.175 -6.473 1.00 . A A . 2 PRO HB2 1 1 11 3405 1 1 2 PRO HB3 H 2.119 -0.004 -6.315 1.00 . A A . 2 PRO HB3 1 1 11 3406 1 1 2 PRO HD2 H 2.839 2.251 -3.301 1.00 . A A . 2 PRO HD2 1 1 11 3407 1 1 2 PRO HD3 H 1.370 1.868 -4.250 1.00 . A A . 2 PRO HD3 1 1 11 3408 1 1 2 PRO HG2 H 4.265 1.774 -5.085 1.00 . A A . 2 PRO HG2 1 1 11 3409 1 1 2 PRO HG3 H 2.839 2.275 -6.045 1.00 . A A . 2 PRO HG3 1 1 11 3410 1 1 2 PRO N N 2.405 0.199 -3.531 1.00 . A A . 2 PRO N 1 1 11 3411 1 1 2 PRO O O 5.496 -0.653 -4.548 1.00 . A A . 2 PRO O 1 1 11 3412 1 1 3 THR C C 5.493 -4.234 -2.249 1.00 . A A . 3 THR C 1 1 11 3413 1 1 3 THR CA C 5.810 -2.767 -2.666 1.00 . A A . 3 THR CA 1 1 11 3414 1 1 3 THR CB C 6.391 -1.843 -1.563 1.00 . A A . 3 THR CB 1 1 11 3415 1 1 3 THR CG2 C 7.478 -2.362 -0.628 1.00 . A A . 3 THR CG2 1 1 11 3416 1 1 3 THR H H 3.716 -2.417 -2.682 1.00 . A A . 3 THR H 1 1 11 3417 1 1 3 THR HA H 6.531 -2.814 -3.481 1.00 . A A . 3 THR HA 1 1 11 3418 1 1 3 THR HB H 5.577 -1.463 -0.948 1.00 . A A . 3 THR HB 1 1 11 3419 1 1 3 THR HG1 H 6.450 -0.514 -2.971 1.00 . A A . 3 THR HG1 1 1 11 3420 1 1 3 THR HG21 H 7.084 -3.176 -0.029 1.00 . A A . 3 THR HG21 1 1 11 3421 1 1 3 THR HG22 H 7.793 -1.565 0.038 1.00 . A A . 3 THR HG22 1 1 11 3422 1 1 3 THR HG23 H 8.364 -2.656 -1.185 1.00 . A A . 3 THR HG23 1 1 11 3423 1 1 3 THR N N 4.568 -2.119 -3.152 1.00 . A A . 3 THR N 1 1 11 3424 1 1 3 THR O O 4.351 -4.661 -2.435 1.00 . A A . 3 THR O 1 1 11 3425 1 1 3 THR OG1 O 7.006 -0.752 -2.211 1.00 . A A . 3 THR OG1 1 1 11 3426 1 1 4 PRO C C 5.921 -6.563 0.240 1.00 . A A . 4 PRO C 1 1 11 3427 1 1 4 PRO CA C 6.151 -6.428 -1.288 1.00 . A A . 4 PRO CA 1 1 11 3428 1 1 4 PRO CB C 7.299 -7.339 -1.745 1.00 . A A . 4 PRO CB 1 1 11 3429 1 1 4 PRO CD C 7.754 -5.145 -2.524 1.00 . A A . 4 PRO CD 1 1 11 3430 1 1 4 PRO CG C 8.464 -6.394 -2.017 1.00 . A A . 4 PRO CG 1 1 11 3431 1 1 4 PRO HA H 5.240 -6.806 -1.753 1.00 . A A . 4 PRO HA 1 1 11 3432 1 1 4 PRO HB2 H 7.565 -8.087 -0.997 1.00 . A A . 4 PRO HB2 1 1 11 3433 1 1 4 PRO HB3 H 7.014 -7.829 -2.677 1.00 . A A . 4 PRO HB3 1 1 11 3434 1 1 4 PRO HD2 H 8.375 -4.272 -2.360 1.00 . A A . 4 PRO HD2 1 1 11 3435 1 1 4 PRO HD3 H 7.580 -5.249 -3.596 1.00 . A A . 4 PRO HD3 1 1 11 3436 1 1 4 PRO HG2 H 9.002 -6.184 -1.095 1.00 . A A . 4 PRO HG2 1 1 11 3437 1 1 4 PRO HG3 H 9.144 -6.799 -2.765 1.00 . A A . 4 PRO HG3 1 1 11 3438 1 1 4 PRO N N 6.461 -5.090 -1.844 1.00 . A A . 4 PRO N 1 1 11 3439 1 1 4 PRO O O 5.470 -7.623 0.668 1.00 . A A . 4 PRO O 1 1 11 3440 1 1 5 MET C C 4.631 -5.371 3.025 1.00 . A A . 5 MET C 1 1 11 3441 1 1 5 MET CA C 6.075 -5.639 2.548 1.00 . A A . 5 MET CA 1 1 11 3442 1 1 5 MET CB C 7.080 -4.693 3.237 1.00 . A A . 5 MET CB 1 1 11 3443 1 1 5 MET CE C 9.537 -4.639 1.107 1.00 . A A . 5 MET CE 1 1 11 3444 1 1 5 MET CG C 8.415 -5.388 3.536 1.00 . A A . 5 MET CG 1 1 11 3445 1 1 5 MET H H 6.536 -4.699 0.668 1.00 . A A . 5 MET H 1 1 11 3446 1 1 5 MET HA H 6.313 -6.657 2.860 1.00 . A A . 5 MET HA 1 1 11 3447 1 1 5 MET HB2 H 7.247 -3.805 2.627 1.00 . A A . 5 MET HB2 1 1 11 3448 1 1 5 MET HB3 H 6.680 -4.361 4.195 1.00 . A A . 5 MET HB3 1 1 11 3449 1 1 5 MET HE1 H 8.689 -4.568 0.435 1.00 . A A . 5 MET HE1 1 1 11 3450 1 1 5 MET HE2 H 9.571 -3.751 1.733 1.00 . A A . 5 MET HE2 1 1 11 3451 1 1 5 MET HE3 H 10.453 -4.732 0.522 1.00 . A A . 5 MET HE3 1 1 11 3452 1 1 5 MET HG2 H 9.061 -4.675 4.045 1.00 . A A . 5 MET HG2 1 1 11 3453 1 1 5 MET HG3 H 8.224 -6.190 4.248 1.00 . A A . 5 MET HG3 1 1 11 3454 1 1 5 MET N N 6.221 -5.560 1.075 1.00 . A A . 5 MET N 1 1 11 3455 1 1 5 MET O O 3.778 -4.960 2.246 1.00 . A A . 5 MET O 1 1 11 3456 1 1 5 MET SD S 9.338 -6.099 2.143 1.00 . A A . 5 MET SD 1 1 11 3457 1 1 6 VAL C C 2.813 -4.384 5.935 1.00 . A A . 6 VAL C 1 1 11 3458 1 1 6 VAL CA C 2.950 -5.461 4.853 1.00 . A A . 6 VAL CA 1 1 11 3459 1 1 6 VAL CB C 2.439 -6.845 5.303 1.00 . A A . 6 VAL CB 1 1 11 3460 1 1 6 VAL CG1 C 3.155 -7.420 6.529 1.00 . A A . 6 VAL CG1 1 1 11 3461 1 1 6 VAL CG2 C 0.931 -6.833 5.577 1.00 . A A . 6 VAL CG2 1 1 11 3462 1 1 6 VAL H H 5.061 -5.865 4.942 1.00 . A A . 6 VAL H 1 1 11 3463 1 1 6 VAL HA H 2.289 -5.156 4.041 1.00 . A A . 6 VAL HA 1 1 11 3464 1 1 6 VAL HB H 2.603 -7.538 4.477 1.00 . A A . 6 VAL HB 1 1 11 3465 1 1 6 VAL HG11 H 2.774 -8.419 6.741 1.00 . A A . 6 VAL HG11 1 1 11 3466 1 1 6 VAL HG12 H 4.226 -7.492 6.337 1.00 . A A . 6 VAL HG12 1 1 11 3467 1 1 6 VAL HG13 H 2.999 -6.783 7.400 1.00 . A A . 6 VAL HG13 1 1 11 3468 1 1 6 VAL HG21 H 0.707 -6.222 6.450 1.00 . A A . 6 VAL HG21 1 1 11 3469 1 1 6 VAL HG22 H 0.399 -6.440 4.711 1.00 . A A . 6 VAL HG22 1 1 11 3470 1 1 6 VAL HG23 H 0.589 -7.851 5.766 1.00 . A A . 6 VAL HG23 1 1 11 3471 1 1 6 VAL N N 4.322 -5.573 4.313 1.00 . A A . 6 VAL N 1 1 11 3472 1 1 6 VAL O O 3.665 -4.231 6.803 1.00 . A A . 6 VAL O 1 1 11 3473 1 1 7 GLY C C 1.747 -1.134 6.006 1.00 . A A . 7 GLY C 1 1 11 3474 1 1 7 GLY CA C 1.478 -2.453 6.735 1.00 . A A . 7 GLY CA 1 1 11 3475 1 1 7 GLY H H 1.114 -3.754 5.084 1.00 . A A . 7 GLY H 1 1 11 3476 1 1 7 GLY HA2 H 0.440 -2.454 7.067 1.00 . A A . 7 GLY HA2 1 1 11 3477 1 1 7 GLY HA3 H 2.115 -2.493 7.621 1.00 . A A . 7 GLY HA3 1 1 11 3478 1 1 7 GLY N N 1.719 -3.620 5.879 1.00 . A A . 7 GLY N 1 1 11 3479 1 1 7 GLY O O 1.924 -1.100 4.790 1.00 . A A . 7 GLY O 1 1 11 3480 1 1 8 LEU C C 0.846 1.916 5.433 1.00 . A A . 8 LEU C 1 1 11 3481 1 1 8 LEU CA C 1.961 1.357 6.345 1.00 . A A . 8 LEU CA 1 1 11 3482 1 1 8 LEU CB C 3.390 1.519 5.761 1.00 . A A . 8 LEU CB 1 1 11 3483 1 1 8 LEU CD1 C 3.184 4.064 5.418 1.00 . A A . 8 LEU CD1 1 1 11 3484 1 1 8 LEU CD2 C 4.421 3.173 7.389 1.00 . A A . 8 LEU CD2 1 1 11 3485 1 1 8 LEU CG C 4.036 2.906 5.931 1.00 . A A . 8 LEU CG 1 1 11 3486 1 1 8 LEU H H 1.612 -0.189 7.755 1.00 . A A . 8 LEU H 1 1 11 3487 1 1 8 LEU HA H 1.915 1.953 7.254 1.00 . A A . 8 LEU HA 1 1 11 3488 1 1 8 LEU HB2 H 4.053 0.801 6.248 1.00 . A A . 8 LEU HB2 1 1 11 3489 1 1 8 LEU HB3 H 3.379 1.263 4.699 1.00 . A A . 8 LEU HB3 1 1 11 3490 1 1 8 LEU HD11 H 2.869 3.867 4.393 1.00 . A A . 8 LEU HD11 1 1 11 3491 1 1 8 LEU HD12 H 3.766 4.982 5.435 1.00 . A A . 8 LEU HD12 1 1 11 3492 1 1 8 LEU HD13 H 2.301 4.204 6.043 1.00 . A A . 8 LEU HD13 1 1 11 3493 1 1 8 LEU HD21 H 5.081 2.380 7.742 1.00 . A A . 8 LEU HD21 1 1 11 3494 1 1 8 LEU HD22 H 3.536 3.213 8.022 1.00 . A A . 8 LEU HD22 1 1 11 3495 1 1 8 LEU HD23 H 4.944 4.123 7.464 1.00 . A A . 8 LEU HD23 1 1 11 3496 1 1 8 LEU HG H 4.957 2.902 5.352 1.00 . A A . 8 LEU HG 1 1 11 3497 1 1 8 LEU N N 1.753 -0.037 6.769 1.00 . A A . 8 LEU N 1 1 11 3498 1 1 8 LEU O O 0.107 2.803 5.855 1.00 . A A . 8 LEU O 1 1 11 3499 1 1 9 ASP C C -1.298 2.595 3.317 1.00 . A A . 9 ASP C 1 1 11 3500 1 1 9 ASP CA C 0.037 1.898 3.024 1.00 . A A . 9 ASP CA 1 1 11 3501 1 1 9 ASP CB C -0.060 0.711 2.046 1.00 . A A . 9 ASP CB 1 1 11 3502 1 1 9 ASP CG C -0.300 1.066 0.569 1.00 . A A . 9 ASP CG 1 1 11 3503 1 1 9 ASP H H 1.320 0.569 4.074 1.00 . A A . 9 ASP H 1 1 11 3504 1 1 9 ASP HA H 0.656 2.675 2.586 1.00 . A A . 9 ASP HA 1 1 11 3505 1 1 9 ASP HB2 H 0.879 0.160 2.110 1.00 . A A . 9 ASP HB2 1 1 11 3506 1 1 9 ASP HB3 H -0.845 0.038 2.396 1.00 . A A . 9 ASP HB3 1 1 11 3507 1 1 9 ASP N N 0.740 1.388 4.214 1.00 . A A . 9 ASP N 1 1 11 3508 1 1 9 ASP O O -1.427 3.793 3.084 1.00 . A A . 9 ASP O 1 1 11 3509 1 1 9 ASP OD1 O -1.529 1.161 0.307 1.00 . A A . 9 ASP OD1 1 1 11 3510 1 1 10 SER C C -4.478 3.194 3.504 1.00 . A A . 10 SER C 1 1 11 3511 1 1 10 SER CA C -3.545 2.404 4.445 1.00 . A A . 10 SER CA 1 1 11 3512 1 1 10 SER CB C -3.282 3.260 5.696 1.00 . A A . 10 SER CB 1 1 11 3513 1 1 10 SER H H -2.064 0.907 4.032 1.00 . A A . 10 SER H 1 1 11 3514 1 1 10 SER HA H -4.122 1.543 4.776 1.00 . A A . 10 SER HA 1 1 11 3515 1 1 10 SER HB2 H -2.784 4.189 5.412 1.00 . A A . 10 SER HB2 1 1 11 3516 1 1 10 SER HB3 H -4.238 3.514 6.160 1.00 . A A . 10 SER HB3 1 1 11 3517 1 1 10 SER HG H -1.548 2.700 6.362 1.00 . A A . 10 SER HG 1 1 11 3518 1 1 10 SER N N -2.275 1.883 3.889 1.00 . A A . 10 SER N 1 1 11 3519 1 1 10 SER O O -5.616 3.458 3.884 1.00 . A A . 10 SER O 1 1 11 3520 1 1 10 SER OG O -2.478 2.566 6.632 1.00 . A A . 10 SER OG 1 1 11 3521 1 1 11 VAL C C -4.693 4.061 -0.038 1.00 . A A . 11 VAL C 1 1 11 3522 1 1 11 VAL CA C -4.700 4.547 1.414 1.00 . A A . 11 VAL CA 1 1 11 3523 1 1 11 VAL CB C -4.043 5.942 1.527 1.00 . A A . 11 VAL CB 1 1 11 3524 1 1 11 VAL CG1 C -4.840 7.003 0.756 1.00 . A A . 11 VAL CG1 1 1 11 3525 1 1 11 VAL CG2 C -3.936 6.433 2.979 1.00 . A A . 11 VAL CG2 1 1 11 3526 1 1 11 VAL H H -3.046 3.409 2.164 1.00 . A A . 11 VAL H 1 1 11 3527 1 1 11 VAL HA H -5.743 4.646 1.715 1.00 . A A . 11 VAL HA 1 1 11 3528 1 1 11 VAL HB H -3.037 5.899 1.109 1.00 . A A . 11 VAL HB 1 1 11 3529 1 1 11 VAL HG11 H -4.350 7.972 0.853 1.00 . A A . 11 VAL HG11 1 1 11 3530 1 1 11 VAL HG12 H -4.883 6.749 -0.303 1.00 . A A . 11 VAL HG12 1 1 11 3531 1 1 11 VAL HG13 H -5.855 7.068 1.152 1.00 . A A . 11 VAL HG13 1 1 11 3532 1 1 11 VAL HG21 H -3.544 7.449 3.003 1.00 . A A . 11 VAL HG21 1 1 11 3533 1 1 11 VAL HG22 H -4.914 6.404 3.459 1.00 . A A . 11 VAL HG22 1 1 11 3534 1 1 11 VAL HG23 H -3.243 5.802 3.536 1.00 . A A . 11 VAL HG23 1 1 11 3535 1 1 11 VAL N N -4.036 3.576 2.302 1.00 . A A . 11 VAL N 1 1 11 3536 1 1 11 VAL O O -5.741 4.036 -0.673 1.00 . A A . 11 VAL O 1 1 11 3537 1 1 12 SER C C -3.956 1.448 -1.768 1.00 . A A . 12 SER C 1 1 11 3538 1 1 12 SER CA C -3.458 2.909 -1.845 1.00 . A A . 12 SER CA 1 1 11 3539 1 1 12 SER CB C -2.029 2.991 -2.395 1.00 . A A . 12 SER CB 1 1 11 3540 1 1 12 SER H H -2.710 3.639 0.018 1.00 . A A . 12 SER H 1 1 11 3541 1 1 12 SER HA H -4.099 3.423 -2.563 1.00 . A A . 12 SER HA 1 1 11 3542 1 1 12 SER HB2 H -1.711 4.034 -2.437 1.00 . A A . 12 SER HB2 1 1 11 3543 1 1 12 SER HB3 H -1.351 2.456 -1.739 1.00 . A A . 12 SER HB3 1 1 11 3544 1 1 12 SER HG H -2.585 1.679 -3.703 1.00 . A A . 12 SER HG 1 1 11 3545 1 1 12 SER N N -3.543 3.614 -0.555 1.00 . A A . 12 SER N 1 1 11 3546 1 1 12 SER O O -4.072 0.793 -2.804 1.00 . A A . 12 SER O 1 1 11 3547 1 1 12 SER OG O -1.985 2.440 -3.699 1.00 . A A . 12 SER OG 1 1 11 3548 1 1 13 GLY C C -4.105 -1.578 -0.434 1.00 . A A . 13 GLY C 1 1 11 3549 1 1 13 GLY CA C -4.982 -0.326 -0.336 1.00 . A A . 13 GLY CA 1 1 11 3550 1 1 13 GLY H H -4.016 1.512 0.213 1.00 . A A . 13 GLY H 1 1 11 3551 1 1 13 GLY HA2 H -5.447 -0.312 0.650 1.00 . A A . 13 GLY HA2 1 1 11 3552 1 1 13 GLY HA3 H -5.774 -0.427 -1.079 1.00 . A A . 13 GLY HA3 1 1 11 3553 1 1 13 GLY N N -4.292 0.946 -0.572 1.00 . A A . 13 GLY N 1 1 11 3554 1 1 13 GLY O O -4.650 -2.658 -0.652 1.00 . A A . 13 GLY O 1 1 11 3555 1 1 14 GLN C C -0.600 -2.680 -0.004 1.00 . A A . 14 GLN C 1 1 11 3556 1 1 14 GLN CA C -1.844 -2.440 -0.910 1.00 . A A . 14 GLN CA 1 1 11 3557 1 1 14 GLN CB C -1.557 -1.969 -2.361 1.00 . A A . 14 GLN CB 1 1 11 3558 1 1 14 GLN CD C -0.536 -4.029 -3.625 1.00 . A A . 14 GLN CD 1 1 11 3559 1 1 14 GLN CG C -1.669 -3.019 -3.483 1.00 . A A . 14 GLN CG 1 1 11 3560 1 1 14 GLN H H -2.404 -0.530 -0.114 1.00 . A A . 14 GLN H 1 1 11 3561 1 1 14 GLN HA H -2.361 -3.399 -0.969 1.00 . A A . 14 GLN HA 1 1 11 3562 1 1 14 GLN HB2 H -2.310 -1.226 -2.630 1.00 . A A . 14 GLN HB2 1 1 11 3563 1 1 14 GLN HB3 H -0.618 -1.442 -2.413 1.00 . A A . 14 GLN HB3 1 1 11 3564 1 1 14 GLN HE21 H 0.969 -2.790 -2.955 1.00 . A A . 14 GLN HE21 1 1 11 3565 1 1 14 GLN HE22 H 1.383 -4.430 -3.434 1.00 . A A . 14 GLN HE22 1 1 11 3566 1 1 14 GLN HG2 H -2.604 -3.564 -3.347 1.00 . A A . 14 GLN HG2 1 1 11 3567 1 1 14 GLN HG3 H -1.733 -2.485 -4.432 1.00 . A A . 14 GLN HG3 1 1 11 3568 1 1 14 GLN N N -2.776 -1.451 -0.348 1.00 . A A . 14 GLN N 1 1 11 3569 1 1 14 GLN NE2 N 0.700 -3.697 -3.333 1.00 . A A . 14 GLN NE2 1 1 11 3570 1 1 14 GLN O O -0.503 -2.170 1.113 1.00 . A A . 14 GLN O 1 1 11 3571 1 1 14 GLN OE1 O -0.745 -5.157 -4.034 1.00 . A A . 14 GLN OE1 1 1 11 3572 1 1 15 TYR C C 2.651 -2.867 0.376 1.00 . A A . 15 TYR C 1 1 11 3573 1 1 15 TYR CA C 1.543 -3.952 0.280 1.00 . A A . 15 TYR CA 1 1 11 3574 1 1 15 TYR CB C 2.027 -5.262 -0.373 1.00 . A A . 15 TYR CB 1 1 11 3575 1 1 15 TYR CD1 C 1.211 -7.046 1.221 1.00 . A A . 15 TYR CD1 1 1 11 3576 1 1 15 TYR CD2 C 0.235 -6.954 -1.011 1.00 . A A . 15 TYR CD2 1 1 11 3577 1 1 15 TYR CE1 C 0.375 -8.128 1.549 1.00 . A A . 15 TYR CE1 1 1 11 3578 1 1 15 TYR CE2 C -0.608 -8.036 -0.686 1.00 . A A . 15 TYR CE2 1 1 11 3579 1 1 15 TYR CG C 1.138 -6.451 -0.053 1.00 . A A . 15 TYR CG 1 1 11 3580 1 1 15 TYR CZ C -0.543 -8.620 0.596 1.00 . A A . 15 TYR CZ 1 1 11 3581 1 1 15 TYR H H 0.219 -3.932 -1.350 1.00 . A A . 15 TYR H 1 1 11 3582 1 1 15 TYR HA H 1.269 -4.195 1.306 1.00 . A A . 15 TYR HA 1 1 11 3583 1 1 15 TYR HB2 H 2.073 -5.131 -1.452 1.00 . A A . 15 TYR HB2 1 1 11 3584 1 1 15 TYR HB3 H 3.042 -5.493 -0.051 1.00 . A A . 15 TYR HB3 1 1 11 3585 1 1 15 TYR HD1 H 1.929 -6.672 1.939 1.00 . A A . 15 TYR HD1 1 1 11 3586 1 1 15 TYR HD2 H 0.194 -6.517 -1.998 1.00 . A A . 15 TYR HD2 1 1 11 3587 1 1 15 TYR HE1 H 0.448 -8.582 2.524 1.00 . A A . 15 TYR HE1 1 1 11 3588 1 1 15 TYR HE2 H -1.304 -8.428 -1.411 1.00 . A A . 15 TYR HE2 1 1 11 3589 1 1 15 TYR HH H -1.146 -9.982 1.791 1.00 . A A . 15 TYR HH 1 1 11 3590 1 1 15 TYR N N 0.330 -3.532 -0.432 1.00 . A A . 15 TYR N 1 1 11 3591 1 1 15 TYR O O 3.619 -2.880 -0.376 1.00 . A A . 15 TYR O 1 1 11 3592 1 1 15 TYR OH O -1.351 -9.665 0.912 1.00 . A A . 15 TYR OH 1 1 11 3593 1 1 16 TRP C C 3.902 0.175 0.911 1.00 . A A . 16 TRP C 1 1 11 3594 1 1 16 TRP CA C 3.579 -1.018 1.836 1.00 . A A . 16 TRP CA 1 1 11 3595 1 1 16 TRP CB C 4.840 -1.792 2.257 1.00 . A A . 16 TRP CB 1 1 11 3596 1 1 16 TRP CD1 C 6.924 -0.367 2.507 1.00 . A A . 16 TRP CD1 1 1 11 3597 1 1 16 TRP CD2 C 6.068 -1.016 4.476 1.00 . A A . 16 TRP CD2 1 1 11 3598 1 1 16 TRP CE2 C 7.266 -0.299 4.762 1.00 . A A . 16 TRP CE2 1 1 11 3599 1 1 16 TRP CE3 C 5.355 -1.541 5.572 1.00 . A A . 16 TRP CE3 1 1 11 3600 1 1 16 TRP CG C 5.889 -1.060 3.032 1.00 . A A . 16 TRP CG 1 1 11 3601 1 1 16 TRP CH2 C 6.990 -0.634 7.143 1.00 . A A . 16 TRP CH2 1 1 11 3602 1 1 16 TRP CZ2 C 7.727 -0.098 6.071 1.00 . A A . 16 TRP CZ2 1 1 11 3603 1 1 16 TRP CZ3 C 5.806 -1.350 6.889 1.00 . A A . 16 TRP CZ3 1 1 11 3604 1 1 16 TRP H H 1.676 -2.009 1.877 1.00 . A A . 16 TRP H 1 1 11 3605 1 1 16 TRP HA H 3.178 -0.576 2.745 1.00 . A A . 16 TRP HA 1 1 11 3606 1 1 16 TRP HB2 H 4.524 -2.620 2.887 1.00 . A A . 16 TRP HB2 1 1 11 3607 1 1 16 TRP HB3 H 5.317 -2.218 1.377 1.00 . A A . 16 TRP HB3 1 1 11 3608 1 1 16 TRP HD1 H 7.096 -0.211 1.448 1.00 . A A . 16 TRP HD1 1 1 11 3609 1 1 16 TRP HE1 H 8.691 0.410 3.339 1.00 . A A . 16 TRP HE1 1 1 11 3610 1 1 16 TRP HE3 H 4.473 -2.134 5.384 1.00 . A A . 16 TRP HE3 1 1 11 3611 1 1 16 TRP HH2 H 7.353 -0.554 8.158 1.00 . A A . 16 TRP HH2 1 1 11 3612 1 1 16 TRP HZ2 H 8.666 0.397 6.249 1.00 . A A . 16 TRP HZ2 1 1 11 3613 1 1 16 TRP HZ3 H 5.263 -1.808 7.705 1.00 . A A . 16 TRP HZ3 1 1 11 3614 1 1 16 TRP N N 2.542 -1.965 1.360 1.00 . A A . 16 TRP N 1 1 11 3615 1 1 16 TRP NE1 N 7.770 0.032 3.520 1.00 . A A . 16 TRP NE1 1 1 11 3616 1 1 16 TRP O O 3.698 0.160 -0.295 1.00 . A A . 16 TRP O 1 1 11 3617 1 1 17 ASP C C 5.481 3.540 1.515 1.00 . A A . 17 ASP C 1 1 11 3618 1 1 17 ASP CA C 4.386 2.617 0.936 1.00 . A A . 17 ASP CA 1 1 11 3619 1 1 17 ASP CB C 2.997 3.237 1.191 1.00 . A A . 17 ASP CB 1 1 11 3620 1 1 17 ASP CG C 2.251 3.720 -0.056 1.00 . A A . 17 ASP CG 1 1 11 3621 1 1 17 ASP H H 4.503 1.168 2.521 1.00 . A A . 17 ASP H 1 1 11 3622 1 1 17 ASP HA H 4.560 2.537 -0.140 1.00 . A A . 17 ASP HA 1 1 11 3623 1 1 17 ASP HB2 H 2.381 2.468 1.643 1.00 . A A . 17 ASP HB2 1 1 11 3624 1 1 17 ASP HB3 H 3.060 4.046 1.920 1.00 . A A . 17 ASP HB3 1 1 11 3625 1 1 17 ASP N N 4.377 1.262 1.528 1.00 . A A . 17 ASP N 1 1 11 3626 1 1 17 ASP O O 5.522 4.745 1.262 1.00 . A A . 17 ASP O 1 1 11 3627 1 1 17 ASP OD1 O 2.900 4.053 -1.071 1.00 . A A . 17 ASP OD1 1 1 11 3628 1 1 17 ASP OD2 O 1.000 3.676 0.006 1.00 . A A . 17 ASP OD2 1 1 11 3629 1 1 18 GLN C C 8.545 4.120 1.993 1.00 . A A . 18 GLN C 1 1 11 3630 1 1 18 GLN CA C 7.406 3.835 2.988 1.00 . A A . 18 GLN CA 1 1 11 3631 1 1 18 GLN CB C 7.930 3.142 4.253 1.00 . A A . 18 GLN CB 1 1 11 3632 1 1 18 GLN CD C 9.792 3.749 5.833 1.00 . A A . 18 GLN CD 1 1 11 3633 1 1 18 GLN CG C 8.406 4.124 5.334 1.00 . A A . 18 GLN CG 1 1 11 3634 1 1 18 GLN H H 6.362 2.011 2.475 1.00 . A A . 18 GLN H 1 1 11 3635 1 1 18 GLN HA H 6.948 4.782 3.273 1.00 . A A . 18 GLN HA 1 1 11 3636 1 1 18 GLN HB2 H 7.141 2.530 4.689 1.00 . A A . 18 GLN HB2 1 1 11 3637 1 1 18 GLN HB3 H 8.748 2.481 3.966 1.00 . A A . 18 GLN HB3 1 1 11 3638 1 1 18 GLN HE21 H 9.134 2.514 7.318 1.00 . A A . 18 GLN HE21 1 1 11 3639 1 1 18 GLN HE22 H 10.867 2.629 7.034 1.00 . A A . 18 GLN HE22 1 1 11 3640 1 1 18 GLN HG2 H 8.452 5.138 4.934 1.00 . A A . 18 GLN HG2 1 1 11 3641 1 1 18 GLN HG3 H 7.698 4.123 6.163 1.00 . A A . 18 GLN HG3 1 1 11 3642 1 1 18 GLN N N 6.360 3.015 2.375 1.00 . A A . 18 GLN N 1 1 11 3643 1 1 18 GLN NE2 N 9.923 2.928 6.848 1.00 . A A . 18 GLN NE2 1 1 11 3644 1 1 18 GLN O O 8.839 3.316 1.118 1.00 . A A . 18 GLN O 1 1 11 3645 1 1 18 GLN OE1 O 10.786 4.207 5.290 1.00 . A A . 18 GLN OE1 1 1 11 3646 1 1 19 HIS C C 11.664 4.867 1.293 1.00 . A A . 19 HIS C 1 1 11 3647 1 1 19 HIS CA C 10.371 5.725 1.335 1.00 . A A . 19 HIS CA 1 1 11 3648 1 1 19 HIS CB C 10.671 7.189 1.719 1.00 . A A . 19 HIS CB 1 1 11 3649 1 1 19 HIS CD2 C 11.844 8.603 3.498 1.00 . A A . 19 HIS CD2 1 1 11 3650 1 1 19 HIS CE1 C 12.224 7.079 5.062 1.00 . A A . 19 HIS CE1 1 1 11 3651 1 1 19 HIS CG C 11.340 7.409 3.063 1.00 . A A . 19 HIS CG 1 1 11 3652 1 1 19 HIS H H 8.883 5.857 2.878 1.00 . A A . 19 HIS H 1 1 11 3653 1 1 19 HIS HA H 10.001 5.728 0.307 1.00 . A A . 19 HIS HA 1 1 11 3654 1 1 19 HIS HB2 H 11.326 7.609 0.952 1.00 . A A . 19 HIS HB2 1 1 11 3655 1 1 19 HIS HB3 H 9.742 7.761 1.691 1.00 . A A . 19 HIS HB3 1 1 11 3656 1 1 19 HIS HD1 H 11.340 5.473 4.058 1.00 . A A . 19 HIS HD1 1 1 11 3657 1 1 19 HIS HD2 H 11.819 9.534 2.944 1.00 . A A . 19 HIS HD2 1 1 11 3658 1 1 19 HIS HE1 H 12.535 6.576 5.975 1.00 . A A . 19 HIS HE1 1 1 11 3659 1 1 19 HIS HE2 H 12.850 9.077 5.330 1.00 . A A . 19 HIS HE2 1 1 11 3660 1 1 19 HIS N N 9.262 5.236 2.183 1.00 . A A . 19 HIS N 1 1 11 3661 1 1 19 HIS ND1 N 11.591 6.466 4.045 1.00 . A A . 19 HIS ND1 1 1 11 3662 1 1 19 HIS NE2 N 12.391 8.381 4.751 1.00 . A A . 19 HIS NE2 1 1 11 3663 1 1 19 HIS O O 12.754 5.425 1.184 1.00 . A A . 19 HIS O 1 1 11 3664 1 1 20 ALA C C 12.342 1.359 0.621 1.00 . A A . 20 ALA C 1 1 11 3665 1 1 20 ALA CA C 12.687 2.600 1.474 1.00 . A A . 20 ALA CA 1 1 11 3666 1 1 20 ALA CB C 12.967 2.223 2.937 1.00 . A A . 20 ALA CB 1 1 11 3667 1 1 20 ALA H H 10.647 3.140 1.380 1.00 . A A . 20 ALA H 1 1 11 3668 1 1 20 ALA HA H 13.573 3.081 1.055 1.00 . A A . 20 ALA HA 1 1 11 3669 1 1 20 ALA HB1 H 12.077 1.772 3.383 1.00 . A A . 20 ALA HB1 1 1 11 3670 1 1 20 ALA HB2 H 13.779 1.497 2.988 1.00 . A A . 20 ALA HB2 1 1 11 3671 1 1 20 ALA HB3 H 13.246 3.109 3.507 1.00 . A A . 20 ALA HB3 1 1 11 3672 1 1 20 ALA N N 11.575 3.550 1.456 1.00 . A A . 20 ALA N 1 1 11 3673 1 1 20 ALA O O 11.169 1.002 0.540 1.00 . A A . 20 ALA O 1 1 11 3674 1 1 21 PRO C C 12.648 -1.726 -0.151 1.00 . A A . 21 PRO C 1 1 11 3675 1 1 21 PRO CA C 13.098 -0.457 -0.890 1.00 . A A . 21 PRO CA 1 1 11 3676 1 1 21 PRO CB C 14.440 -0.691 -1.593 1.00 . A A . 21 PRO CB 1 1 11 3677 1 1 21 PRO CD C 14.757 0.988 0.075 1.00 . A A . 21 PRO CD 1 1 11 3678 1 1 21 PRO CG C 15.465 -0.204 -0.568 1.00 . A A . 21 PRO CG 1 1 11 3679 1 1 21 PRO HA H 12.336 -0.210 -1.630 1.00 . A A . 21 PRO HA 1 1 11 3680 1 1 21 PRO HB2 H 14.596 -1.740 -1.851 1.00 . A A . 21 PRO HB2 1 1 11 3681 1 1 21 PRO HB3 H 14.497 -0.068 -2.486 1.00 . A A . 21 PRO HB3 1 1 11 3682 1 1 21 PRO HD2 H 15.089 1.107 1.107 1.00 . A A . 21 PRO HD2 1 1 11 3683 1 1 21 PRO HD3 H 14.964 1.893 -0.499 1.00 . A A . 21 PRO HD3 1 1 11 3684 1 1 21 PRO HG2 H 15.634 -0.978 0.182 1.00 . A A . 21 PRO HG2 1 1 11 3685 1 1 21 PRO HG3 H 16.404 0.088 -1.039 1.00 . A A . 21 PRO HG3 1 1 11 3686 1 1 21 PRO N N 13.334 0.687 0.001 1.00 . A A . 21 PRO N 1 1 11 3687 1 1 21 PRO O O 12.050 -2.610 -0.756 1.00 . A A . 21 PRO O 1 1 11 3688 1 1 22 LEU C C 12.458 -2.257 3.509 1.00 . A A . 22 LEU C 1 1 11 3689 1 1 22 LEU CA C 12.502 -2.830 2.086 1.00 . A A . 22 LEU CA 1 1 11 3690 1 1 22 LEU CB C 13.366 -4.101 1.955 1.00 . A A . 22 LEU CB 1 1 11 3691 1 1 22 LEU CD1 C 15.295 -4.541 3.560 1.00 . A A . 22 LEU CD1 1 1 11 3692 1 1 22 LEU CD2 C 15.714 -4.505 1.119 1.00 . A A . 22 LEU CD2 1 1 11 3693 1 1 22 LEU CG C 14.870 -3.900 2.242 1.00 . A A . 22 LEU CG 1 1 11 3694 1 1 22 LEU H H 13.401 -1.018 1.574 1.00 . A A . 22 LEU H 1 1 11 3695 1 1 22 LEU HA H 11.485 -3.092 1.825 1.00 . A A . 22 LEU HA 1 1 11 3696 1 1 22 LEU HB2 H 12.970 -4.874 2.614 1.00 . A A . 22 LEU HB2 1 1 11 3697 1 1 22 LEU HB3 H 13.237 -4.482 0.941 1.00 . A A . 22 LEU HB3 1 1 11 3698 1 1 22 LEU HD11 H 14.711 -4.133 4.384 1.00 . A A . 22 LEU HD11 1 1 11 3699 1 1 22 LEU HD12 H 16.353 -4.367 3.746 1.00 . A A . 22 LEU HD12 1 1 11 3700 1 1 22 LEU HD13 H 15.111 -5.618 3.526 1.00 . A A . 22 LEU HD13 1 1 11 3701 1 1 22 LEU HD21 H 15.513 -5.576 1.055 1.00 . A A . 22 LEU HD21 1 1 11 3702 1 1 22 LEU HD22 H 16.772 -4.351 1.326 1.00 . A A . 22 LEU HD22 1 1 11 3703 1 1 22 LEU HD23 H 15.455 -4.034 0.171 1.00 . A A . 22 LEU HD23 1 1 11 3704 1 1 22 LEU HG H 15.104 -2.836 2.292 1.00 . A A . 22 LEU HG 1 1 11 3705 1 1 22 LEU N N 12.951 -1.811 1.145 1.00 . A A . 22 LEU N 1 1 11 3706 1 1 22 LEU O O 12.881 -1.119 3.741 1.00 . A A . 22 LEU O 1 1 11 3707 1 1 23 ALA C C 12.076 -3.976 6.751 1.00 . A A . 23 ALA C 1 1 11 3708 1 1 23 ALA CA C 11.832 -2.737 5.868 1.00 . A A . 23 ALA CA 1 1 11 3709 1 1 23 ALA CB C 10.460 -2.110 6.142 1.00 . A A . 23 ALA CB 1 1 11 3710 1 1 23 ALA H H 11.674 -3.978 4.152 1.00 . A A . 23 ALA H 1 1 11 3711 1 1 23 ALA HA H 12.604 -2.012 6.129 1.00 . A A . 23 ALA HA 1 1 11 3712 1 1 23 ALA HB1 H 10.380 -1.856 7.199 1.00 . A A . 23 ALA HB1 1 1 11 3713 1 1 23 ALA HB2 H 10.343 -1.209 5.543 1.00 . A A . 23 ALA HB2 1 1 11 3714 1 1 23 ALA HB3 H 9.668 -2.819 5.889 1.00 . A A . 23 ALA HB3 1 1 11 3715 1 1 23 ALA N N 11.924 -3.042 4.438 1.00 . A A . 23 ALA N 1 1 11 3716 1 1 23 ALA O O 12.520 -3.824 7.890 1.00 . A A . 23 ALA O 1 1 11 3717 1 1 24 ASP C C 13.072 -7.207 5.589 1.00 . A A . 24 ASP C 1 1 11 3718 1 1 24 ASP CA C 12.171 -6.510 6.632 1.00 . A A . 24 ASP CA 1 1 11 3719 1 1 24 ASP CB C 10.840 -7.284 6.829 1.00 . A A . 24 ASP CB 1 1 11 3720 1 1 24 ASP CG C 9.670 -6.517 7.490 1.00 . A A . 24 ASP CG 1 1 11 3721 1 1 24 ASP H H 11.517 -5.205 5.228 1.00 . A A . 24 ASP H 1 1 11 3722 1 1 24 ASP HA H 12.712 -6.469 7.576 1.00 . A A . 24 ASP HA 1 1 11 3723 1 1 24 ASP HB2 H 10.495 -7.621 5.850 1.00 . A A . 24 ASP HB2 1 1 11 3724 1 1 24 ASP HB3 H 11.058 -8.177 7.417 1.00 . A A . 24 ASP HB3 1 1 11 3725 1 1 24 ASP N N 11.875 -5.158 6.166 1.00 . A A . 24 ASP N 1 1 11 3726 1 1 24 ASP O O 13.930 -8.022 5.997 1.00 . A A . 24 ASP O 1 1 11 3727 1 1 24 ASP OXT O 12.926 -6.863 4.389 1.00 . A A . 24 ASP OXT 1 1 11 3728 1 1 24 ASP OD1 O 8.933 -5.808 6.756 1.00 . A A . 24 ASP OD1 1 1 11 3729 1 1 24 ASP OD2 O 9.452 -6.702 8.713 1.00 . A A . 24 ASP OD2 1 1 12 3730 1 1 1 GLY C C 2.000 0.020 -1.917 1.00 . A A . 1 GLY C 1 1 12 3731 1 1 1 GLY CA C 1.312 1.230 -1.253 1.00 . A A . 1 GLY CA 1 1 12 3732 1 1 1 GLY H1 H 0.994 2.216 0.538 1.00 . A A . 1 GLY H1 1 1 12 3733 1 1 1 GLY HA2 H 0.381 1.360 -1.798 1.00 . A A . 1 GLY HA2 1 1 12 3734 1 1 1 GLY HA3 H 1.937 2.096 -1.459 1.00 . A A . 1 GLY HA3 1 1 12 3735 1 1 1 GLY N N 0.991 1.266 0.192 1.00 . A A . 1 GLY N 1 1 12 3736 1 1 1 GLY O O 2.130 -1.048 -1.336 1.00 . A A . 1 GLY O 1 1 12 3737 1 1 2 PRO C C 4.225 -1.424 -3.927 1.00 . A A . 2 PRO C 1 1 12 3738 1 1 2 PRO CA C 2.743 -1.005 -4.062 1.00 . A A . 2 PRO CA 1 1 12 3739 1 1 2 PRO CB C 2.382 -0.551 -5.482 1.00 . A A . 2 PRO CB 1 1 12 3740 1 1 2 PRO CD C 2.228 1.338 -4.023 1.00 . A A . 2 PRO CD 1 1 12 3741 1 1 2 PRO CG C 2.660 0.953 -5.437 1.00 . A A . 2 PRO CG 1 1 12 3742 1 1 2 PRO HA H 2.133 -1.872 -3.825 1.00 . A A . 2 PRO HA 1 1 12 3743 1 1 2 PRO HB2 H 2.960 -1.061 -6.253 1.00 . A A . 2 PRO HB2 1 1 12 3744 1 1 2 PRO HB3 H 1.317 -0.716 -5.650 1.00 . A A . 2 PRO HB3 1 1 12 3745 1 1 2 PRO HD2 H 2.881 2.122 -3.635 1.00 . A A . 2 PRO HD2 1 1 12 3746 1 1 2 PRO HD3 H 1.192 1.681 -4.044 1.00 . A A . 2 PRO HD3 1 1 12 3747 1 1 2 PRO HG2 H 3.726 1.146 -5.558 1.00 . A A . 2 PRO HG2 1 1 12 3748 1 1 2 PRO HG3 H 2.087 1.490 -6.192 1.00 . A A . 2 PRO HG3 1 1 12 3749 1 1 2 PRO N N 2.349 0.128 -3.216 1.00 . A A . 2 PRO N 1 1 12 3750 1 1 2 PRO O O 5.055 -1.041 -4.749 1.00 . A A . 2 PRO O 1 1 12 3751 1 1 3 THR C C 5.661 -4.380 -2.266 1.00 . A A . 3 THR C 1 1 12 3752 1 1 3 THR CA C 5.863 -2.927 -2.777 1.00 . A A . 3 THR CA 1 1 12 3753 1 1 3 THR CB C 6.776 -1.990 -1.950 1.00 . A A . 3 THR CB 1 1 12 3754 1 1 3 THR CG2 C 7.276 -2.421 -0.576 1.00 . A A . 3 THR CG2 1 1 12 3755 1 1 3 THR H H 3.862 -2.481 -2.226 1.00 . A A . 3 THR H 1 1 12 3756 1 1 3 THR HA H 6.305 -3.017 -3.769 1.00 . A A . 3 THR HA 1 1 12 3757 1 1 3 THR HB H 6.245 -1.049 -1.806 1.00 . A A . 3 THR HB 1 1 12 3758 1 1 3 THR HG1 H 8.353 -0.950 -2.272 1.00 . A A . 3 THR HG1 1 1 12 3759 1 1 3 THR HG21 H 7.597 -1.538 -0.029 1.00 . A A . 3 THR HG21 1 1 12 3760 1 1 3 THR HG22 H 8.125 -3.088 -0.665 1.00 . A A . 3 THR HG22 1 1 12 3761 1 1 3 THR HG23 H 6.482 -2.911 -0.029 1.00 . A A . 3 THR HG23 1 1 12 3762 1 1 3 THR N N 4.552 -2.258 -2.936 1.00 . A A . 3 THR N 1 1 12 3763 1 1 3 THR O O 4.520 -4.841 -2.282 1.00 . A A . 3 THR O 1 1 12 3764 1 1 3 THR OG1 O 7.935 -1.703 -2.697 1.00 . A A . 3 THR OG1 1 1 12 3765 1 1 4 PRO C C 6.371 -6.675 0.172 1.00 . A A . 4 PRO C 1 1 12 3766 1 1 4 PRO CA C 6.514 -6.541 -1.373 1.00 . A A . 4 PRO CA 1 1 12 3767 1 1 4 PRO CB C 7.696 -7.363 -1.916 1.00 . A A . 4 PRO CB 1 1 12 3768 1 1 4 PRO CD C 7.993 -5.105 -2.613 1.00 . A A . 4 PRO CD 1 1 12 3769 1 1 4 PRO CG C 8.787 -6.330 -2.169 1.00 . A A . 4 PRO CG 1 1 12 3770 1 1 4 PRO HA H 5.607 -6.982 -1.789 1.00 . A A . 4 PRO HA 1 1 12 3771 1 1 4 PRO HB2 H 8.038 -8.132 -1.223 1.00 . A A . 4 PRO HB2 1 1 12 3772 1 1 4 PRO HB3 H 7.413 -7.823 -2.865 1.00 . A A . 4 PRO HB3 1 1 12 3773 1 1 4 PRO HD2 H 8.545 -4.199 -2.375 1.00 . A A . 4 PRO HD2 1 1 12 3774 1 1 4 PRO HD3 H 7.833 -5.156 -3.692 1.00 . A A . 4 PRO HD3 1 1 12 3775 1 1 4 PRO HG2 H 9.318 -6.123 -1.242 1.00 . A A . 4 PRO HG2 1 1 12 3776 1 1 4 PRO HG3 H 9.481 -6.658 -2.943 1.00 . A A . 4 PRO HG3 1 1 12 3777 1 1 4 PRO N N 6.696 -5.188 -1.945 1.00 . A A . 4 PRO N 1 1 12 3778 1 1 4 PRO O O 6.391 -7.803 0.657 1.00 . A A . 4 PRO O 1 1 12 3779 1 1 5 MET C C 4.687 -5.499 2.950 1.00 . A A . 5 MET C 1 1 12 3780 1 1 5 MET CA C 6.142 -5.641 2.452 1.00 . A A . 5 MET CA 1 1 12 3781 1 1 5 MET CB C 7.027 -4.536 3.075 1.00 . A A . 5 MET CB 1 1 12 3782 1 1 5 MET CE C 9.522 -4.641 1.136 1.00 . A A . 5 MET CE 1 1 12 3783 1 1 5 MET CG C 8.352 -5.042 3.659 1.00 . A A . 5 MET CG 1 1 12 3784 1 1 5 MET H H 6.056 -4.722 0.502 1.00 . A A . 5 MET H 1 1 12 3785 1 1 5 MET HA H 6.498 -6.611 2.809 1.00 . A A . 5 MET HA 1 1 12 3786 1 1 5 MET HB2 H 7.225 -3.754 2.342 1.00 . A A . 5 MET HB2 1 1 12 3787 1 1 5 MET HB3 H 6.492 -4.060 3.897 1.00 . A A . 5 MET HB3 1 1 12 3788 1 1 5 MET HE1 H 10.418 -4.774 0.532 1.00 . A A . 5 MET HE1 1 1 12 3789 1 1 5 MET HE2 H 8.650 -4.844 0.522 1.00 . A A . 5 MET HE2 1 1 12 3790 1 1 5 MET HE3 H 9.467 -3.619 1.508 1.00 . A A . 5 MET HE3 1 1 12 3791 1 1 5 MET HG2 H 8.840 -4.195 4.144 1.00 . A A . 5 MET HG2 1 1 12 3792 1 1 5 MET HG3 H 8.125 -5.773 4.437 1.00 . A A . 5 MET HG3 1 1 12 3793 1 1 5 MET N N 6.236 -5.599 0.964 1.00 . A A . 5 MET N 1 1 12 3794 1 1 5 MET O O 3.792 -5.241 2.162 1.00 . A A . 5 MET O 1 1 12 3795 1 1 5 MET SD S 9.545 -5.800 2.519 1.00 . A A . 5 MET SD 1 1 12 3796 1 1 6 VAL C C 2.841 -4.376 5.823 1.00 . A A . 6 VAL C 1 1 12 3797 1 1 6 VAL CA C 3.015 -5.472 4.770 1.00 . A A . 6 VAL CA 1 1 12 3798 1 1 6 VAL CB C 2.476 -6.845 5.214 1.00 . A A . 6 VAL CB 1 1 12 3799 1 1 6 VAL CG1 C 3.145 -7.402 6.473 1.00 . A A . 6 VAL CG1 1 1 12 3800 1 1 6 VAL CG2 C 0.958 -6.807 5.428 1.00 . A A . 6 VAL CG2 1 1 12 3801 1 1 6 VAL H H 5.152 -5.781 4.909 1.00 . A A . 6 VAL H 1 1 12 3802 1 1 6 VAL HA H 2.375 -5.167 3.944 1.00 . A A . 6 VAL HA 1 1 12 3803 1 1 6 VAL HB H 2.665 -7.548 4.402 1.00 . A A . 6 VAL HB 1 1 12 3804 1 1 6 VAL HG11 H 4.224 -7.462 6.328 1.00 . A A . 6 VAL HG11 1 1 12 3805 1 1 6 VAL HG12 H 2.938 -6.766 7.333 1.00 . A A . 6 VAL HG12 1 1 12 3806 1 1 6 VAL HG13 H 2.773 -8.405 6.676 1.00 . A A . 6 VAL HG13 1 1 12 3807 1 1 6 VAL HG21 H 0.597 -7.815 5.628 1.00 . A A . 6 VAL HG21 1 1 12 3808 1 1 6 VAL HG22 H 0.706 -6.168 6.274 1.00 . A A . 6 VAL HG22 1 1 12 3809 1 1 6 VAL HG23 H 0.468 -6.438 4.527 1.00 . A A . 6 VAL HG23 1 1 12 3810 1 1 6 VAL N N 4.401 -5.594 4.257 1.00 . A A . 6 VAL N 1 1 12 3811 1 1 6 VAL O O 3.653 -4.220 6.729 1.00 . A A . 6 VAL O 1 1 12 3812 1 1 7 GLY C C 1.621 -1.092 5.728 1.00 . A A . 7 GLY C 1 1 12 3813 1 1 7 GLY CA C 1.503 -2.403 6.510 1.00 . A A . 7 GLY CA 1 1 12 3814 1 1 7 GLY H H 1.159 -3.763 4.904 1.00 . A A . 7 GLY H 1 1 12 3815 1 1 7 GLY HA2 H 0.495 -2.467 6.917 1.00 . A A . 7 GLY HA2 1 1 12 3816 1 1 7 GLY HA3 H 2.201 -2.363 7.347 1.00 . A A . 7 GLY HA3 1 1 12 3817 1 1 7 GLY N N 1.766 -3.590 5.692 1.00 . A A . 7 GLY N 1 1 12 3818 1 1 7 GLY O O 1.568 -1.063 4.499 1.00 . A A . 7 GLY O 1 1 12 3819 1 1 8 LEU C C 0.818 2.012 5.196 1.00 . A A . 8 LEU C 1 1 12 3820 1 1 8 LEU CA C 1.945 1.401 6.054 1.00 . A A . 8 LEU CA 1 1 12 3821 1 1 8 LEU CB C 3.347 1.602 5.432 1.00 . A A . 8 LEU CB 1 1 12 3822 1 1 8 LEU CD1 C 3.249 4.184 5.572 1.00 . A A . 8 LEU CD1 1 1 12 3823 1 1 8 LEU CD2 C 4.557 2.885 7.255 1.00 . A A . 8 LEU CD2 1 1 12 3824 1 1 8 LEU CG C 4.068 2.913 5.804 1.00 . A A . 8 LEU CG 1 1 12 3825 1 1 8 LEU H H 1.794 -0.161 7.470 1.00 . A A . 8 LEU H 1 1 12 3826 1 1 8 LEU HA H 1.929 1.973 6.982 1.00 . A A . 8 LEU HA 1 1 12 3827 1 1 8 LEU HB2 H 3.998 0.785 5.734 1.00 . A A . 8 LEU HB2 1 1 12 3828 1 1 8 LEU HB3 H 3.268 1.548 4.347 1.00 . A A . 8 LEU HB3 1 1 12 3829 1 1 8 LEU HD11 H 2.810 4.169 4.573 1.00 . A A . 8 LEU HD11 1 1 12 3830 1 1 8 LEU HD12 H 3.894 5.057 5.655 1.00 . A A . 8 LEU HD12 1 1 12 3831 1 1 8 LEU HD13 H 2.448 4.274 6.307 1.00 . A A . 8 LEU HD13 1 1 12 3832 1 1 8 LEU HD21 H 5.175 2.000 7.414 1.00 . A A . 8 LEU HD21 1 1 12 3833 1 1 8 LEU HD22 H 3.713 2.849 7.941 1.00 . A A . 8 LEU HD22 1 1 12 3834 1 1 8 LEU HD23 H 5.146 3.776 7.466 1.00 . A A . 8 LEU HD23 1 1 12 3835 1 1 8 LEU HG H 4.946 2.985 5.167 1.00 . A A . 8 LEU HG 1 1 12 3836 1 1 8 LEU N N 1.763 0.004 6.475 1.00 . A A . 8 LEU N 1 1 12 3837 1 1 8 LEU O O 0.258 3.014 5.628 1.00 . A A . 8 LEU O 1 1 12 3838 1 1 9 ASP C C -1.475 2.936 3.434 1.00 . A A . 9 ASP C 1 1 12 3839 1 1 9 ASP CA C -0.282 2.101 2.936 1.00 . A A . 9 ASP CA 1 1 12 3840 1 1 9 ASP CB C -0.797 1.082 1.896 1.00 . A A . 9 ASP CB 1 1 12 3841 1 1 9 ASP CG C 0.191 0.461 0.893 1.00 . A A . 9 ASP CG 1 1 12 3842 1 1 9 ASP H H 0.913 0.544 3.846 1.00 . A A . 9 ASP H 1 1 12 3843 1 1 9 ASP HA H 0.361 2.811 2.426 1.00 . A A . 9 ASP HA 1 1 12 3844 1 1 9 ASP HB2 H -1.303 0.281 2.437 1.00 . A A . 9 ASP HB2 1 1 12 3845 1 1 9 ASP HB3 H -1.557 1.586 1.297 1.00 . A A . 9 ASP HB3 1 1 12 3846 1 1 9 ASP N N 0.491 1.451 4.019 1.00 . A A . 9 ASP N 1 1 12 3847 1 1 9 ASP O O -1.595 4.099 3.066 1.00 . A A . 9 ASP O 1 1 12 3848 1 1 9 ASP OD1 O -0.168 -0.645 0.456 1.00 . A A . 9 ASP OD1 1 1 12 3849 1 1 10 SER C C -4.606 3.604 4.004 1.00 . A A . 10 SER C 1 1 12 3850 1 1 10 SER CA C -3.539 2.966 4.917 1.00 . A A . 10 SER CA 1 1 12 3851 1 1 10 SER CB C -3.070 4.002 5.947 1.00 . A A . 10 SER CB 1 1 12 3852 1 1 10 SER H H -2.123 1.409 4.530 1.00 . A A . 10 SER H 1 1 12 3853 1 1 10 SER HA H -4.056 2.184 5.471 1.00 . A A . 10 SER HA 1 1 12 3854 1 1 10 SER HB2 H -2.600 4.841 5.435 1.00 . A A . 10 SER HB2 1 1 12 3855 1 1 10 SER HB3 H -3.930 4.372 6.504 1.00 . A A . 10 SER HB3 1 1 12 3856 1 1 10 SER HG H -1.289 3.357 6.381 1.00 . A A . 10 SER HG 1 1 12 3857 1 1 10 SER N N -2.363 2.348 4.253 1.00 . A A . 10 SER N 1 1 12 3858 1 1 10 SER O O -5.724 3.858 4.441 1.00 . A A . 10 SER O 1 1 12 3859 1 1 10 SER OG O -2.143 3.430 6.848 1.00 . A A . 10 SER OG 1 1 12 3860 1 1 11 VAL C C -4.766 3.839 0.366 1.00 . A A . 11 VAL C 1 1 12 3861 1 1 11 VAL CA C -4.987 4.570 1.694 1.00 . A A . 11 VAL CA 1 1 12 3862 1 1 11 VAL CB C -4.490 6.034 1.610 1.00 . A A . 11 VAL CB 1 1 12 3863 1 1 11 VAL CG1 C -5.351 6.859 0.647 1.00 . A A . 11 VAL CG1 1 1 12 3864 1 1 11 VAL CG2 C -4.492 6.743 2.973 1.00 . A A . 11 VAL CG2 1 1 12 3865 1 1 11 VAL H H -3.280 3.679 2.573 1.00 . A A . 11 VAL H 1 1 12 3866 1 1 11 VAL HA H -6.055 4.568 1.913 1.00 . A A . 11 VAL HA 1 1 12 3867 1 1 11 VAL HB H -3.463 6.042 1.244 1.00 . A A . 11 VAL HB 1 1 12 3868 1 1 11 VAL HG11 H -4.960 7.876 0.589 1.00 . A A . 11 VAL HG11 1 1 12 3869 1 1 11 VAL HG12 H -5.317 6.424 -0.353 1.00 . A A . 11 VAL HG12 1 1 12 3870 1 1 11 VAL HG13 H -6.384 6.886 0.996 1.00 . A A . 11 VAL HG13 1 1 12 3871 1 1 11 VAL HG21 H -4.249 7.796 2.849 1.00 . A A . 11 VAL HG21 1 1 12 3872 1 1 11 VAL HG22 H -5.468 6.647 3.447 1.00 . A A . 11 VAL HG22 1 1 12 3873 1 1 11 VAL HG23 H -3.733 6.305 3.620 1.00 . A A . 11 VAL HG23 1 1 12 3874 1 1 11 VAL N N -4.263 3.843 2.741 1.00 . A A . 11 VAL N 1 1 12 3875 1 1 11 VAL O O -5.717 3.383 -0.258 1.00 . A A . 11 VAL O 1 1 12 3876 1 1 12 SER C C -3.243 1.463 -1.325 1.00 . A A . 12 SER C 1 1 12 3877 1 1 12 SER CA C -3.046 2.992 -1.266 1.00 . A A . 12 SER CA 1 1 12 3878 1 1 12 SER CB C -1.558 3.312 -1.463 1.00 . A A . 12 SER CB 1 1 12 3879 1 1 12 SER H H -2.769 4.101 0.500 1.00 . A A . 12 SER H 1 1 12 3880 1 1 12 SER HA H -3.597 3.425 -2.099 1.00 . A A . 12 SER HA 1 1 12 3881 1 1 12 SER HB2 H -0.981 2.676 -0.797 1.00 . A A . 12 SER HB2 1 1 12 3882 1 1 12 SER HB3 H -1.259 3.113 -2.494 1.00 . A A . 12 SER HB3 1 1 12 3883 1 1 12 SER HG H -0.411 4.628 -0.628 1.00 . A A . 12 SER HG 1 1 12 3884 1 1 12 SER N N -3.502 3.638 -0.021 1.00 . A A . 12 SER N 1 1 12 3885 1 1 12 SER O O -2.791 0.834 -2.275 1.00 . A A . 12 SER O 1 1 12 3886 1 1 12 SER OG O -1.265 4.654 -1.130 1.00 . A A . 12 SER OG 1 1 12 3887 1 1 13 GLY C C -3.652 -1.621 -0.976 1.00 . A A . 13 GLY C 1 1 12 3888 1 1 13 GLY CA C -4.351 -0.514 -0.168 1.00 . A A . 13 GLY CA 1 1 12 3889 1 1 13 GLY H H -4.263 1.530 0.361 1.00 . A A . 13 GLY H 1 1 12 3890 1 1 13 GLY HA2 H -4.301 -0.804 0.881 1.00 . A A . 13 GLY HA2 1 1 12 3891 1 1 13 GLY HA3 H -5.405 -0.528 -0.449 1.00 . A A . 13 GLY HA3 1 1 12 3892 1 1 13 GLY N N -3.885 0.876 -0.305 1.00 . A A . 13 GLY N 1 1 12 3893 1 1 13 GLY O O -4.319 -2.283 -1.768 1.00 . A A . 13 GLY O 1 1 12 3894 1 1 14 GLN C C -0.634 -3.632 -0.398 1.00 . A A . 14 GLN C 1 1 12 3895 1 1 14 GLN CA C -1.588 -2.933 -1.400 1.00 . A A . 14 GLN CA 1 1 12 3896 1 1 14 GLN CB C -0.932 -2.345 -2.679 1.00 . A A . 14 GLN CB 1 1 12 3897 1 1 14 GLN CD C -0.169 -4.447 -4.004 1.00 . A A . 14 GLN CD 1 1 12 3898 1 1 14 GLN CG C -1.074 -3.221 -3.936 1.00 . A A . 14 GLN CG 1 1 12 3899 1 1 14 GLN H H -1.808 -1.256 -0.152 1.00 . A A . 14 GLN H 1 1 12 3900 1 1 14 GLN HA H -2.290 -3.707 -1.714 1.00 . A A . 14 GLN HA 1 1 12 3901 1 1 14 GLN HB2 H -1.431 -1.405 -2.918 1.00 . A A . 14 GLN HB2 1 1 12 3902 1 1 14 GLN HB3 H 0.111 -2.091 -2.519 1.00 . A A . 14 GLN HB3 1 1 12 3903 1 1 14 GLN HE21 H 1.476 -3.550 -3.186 1.00 . A A . 14 GLN HE21 1 1 12 3904 1 1 14 GLN HE22 H 1.604 -5.214 -3.714 1.00 . A A . 14 GLN HE22 1 1 12 3905 1 1 14 GLN HG2 H -2.112 -3.543 -4.024 1.00 . A A . 14 GLN HG2 1 1 12 3906 1 1 14 GLN HG3 H -0.848 -2.606 -4.807 1.00 . A A . 14 GLN HG3 1 1 12 3907 1 1 14 GLN N N -2.357 -1.869 -0.747 1.00 . A A . 14 GLN N 1 1 12 3908 1 1 14 GLN NE2 N 1.094 -4.348 -3.657 1.00 . A A . 14 GLN NE2 1 1 12 3909 1 1 14 GLN O O -1.084 -4.489 0.359 1.00 . A A . 14 GLN O 1 1 12 3910 1 1 14 GLN OE1 O -0.564 -5.514 -4.435 1.00 . A A . 14 GLN OE1 1 1 12 3911 1 1 15 TYR C C 2.940 -2.962 0.577 1.00 . A A . 15 TYR C 1 1 12 3912 1 1 15 TYR CA C 1.743 -3.937 0.356 1.00 . A A . 15 TYR CA 1 1 12 3913 1 1 15 TYR CB C 2.136 -5.233 -0.405 1.00 . A A . 15 TYR CB 1 1 12 3914 1 1 15 TYR CD1 C 1.135 -7.038 1.078 1.00 . A A . 15 TYR CD1 1 1 12 3915 1 1 15 TYR CD2 C 0.595 -7.061 -1.295 1.00 . A A . 15 TYR CD2 1 1 12 3916 1 1 15 TYR CE1 C 0.372 -8.206 1.268 1.00 . A A . 15 TYR CE1 1 1 12 3917 1 1 15 TYR CE2 C -0.167 -8.230 -1.114 1.00 . A A . 15 TYR CE2 1 1 12 3918 1 1 15 TYR CG C 1.249 -6.456 -0.200 1.00 . A A . 15 TYR CG 1 1 12 3919 1 1 15 TYR CZ C -0.279 -8.805 0.168 1.00 . A A . 15 TYR CZ 1 1 12 3920 1 1 15 TYR H H 0.898 -2.415 -0.846 1.00 . A A . 15 TYR H 1 1 12 3921 1 1 15 TYR HA H 1.384 -4.225 1.344 1.00 . A A . 15 TYR HA 1 1 12 3922 1 1 15 TYR HB2 H 2.178 -5.005 -1.462 1.00 . A A . 15 TYR HB2 1 1 12 3923 1 1 15 TYR HB3 H 3.146 -5.538 -0.139 1.00 . A A . 15 TYR HB3 1 1 12 3924 1 1 15 TYR HD1 H 1.651 -6.583 1.910 1.00 . A A . 15 TYR HD1 1 1 12 3925 1 1 15 TYR HD2 H 0.673 -6.638 -2.284 1.00 . A A . 15 TYR HD2 1 1 12 3926 1 1 15 TYR HE1 H 0.298 -8.644 2.249 1.00 . A A . 15 TYR HE1 1 1 12 3927 1 1 15 TYR HE2 H -0.665 -8.695 -1.949 1.00 . A A . 15 TYR HE2 1 1 12 3928 1 1 15 TYR HH H -0.984 -10.209 1.260 1.00 . A A . 15 TYR HH 1 1 12 3929 1 1 15 TYR N N 0.655 -3.280 -0.375 1.00 . A A . 15 TYR N 1 1 12 3930 1 1 15 TYR O O 4.012 -3.133 0.000 1.00 . A A . 15 TYR O 1 1 12 3931 1 1 15 TYR OH O -1.001 -9.944 0.341 1.00 . A A . 15 TYR OH 1 1 12 3932 1 1 16 TRP C C 4.247 0.189 1.161 1.00 . A A . 16 TRP C 1 1 12 3933 1 1 16 TRP CA C 3.775 -1.018 2.010 1.00 . A A . 16 TRP CA 1 1 12 3934 1 1 16 TRP CB C 4.944 -1.838 2.566 1.00 . A A . 16 TRP CB 1 1 12 3935 1 1 16 TRP CD1 C 7.084 -0.525 2.883 1.00 . A A . 16 TRP CD1 1 1 12 3936 1 1 16 TRP CD2 C 6.100 -1.065 4.825 1.00 . A A . 16 TRP CD2 1 1 12 3937 1 1 16 TRP CE2 C 7.325 -0.420 5.152 1.00 . A A . 16 TRP CE2 1 1 12 3938 1 1 16 TRP CE3 C 5.309 -1.525 5.895 1.00 . A A . 16 TRP CE3 1 1 12 3939 1 1 16 TRP CG C 5.980 -1.127 3.377 1.00 . A A . 16 TRP CG 1 1 12 3940 1 1 16 TRP CH2 C 6.923 -0.695 7.527 1.00 . A A . 16 TRP CH2 1 1 12 3941 1 1 16 TRP CZ2 C 7.738 -0.228 6.480 1.00 . A A . 16 TRP CZ2 1 1 12 3942 1 1 16 TRP CZ3 C 5.708 -1.340 7.231 1.00 . A A . 16 TRP CZ3 1 1 12 3943 1 1 16 TRP H H 1.789 -1.807 1.696 1.00 . A A . 16 TRP H 1 1 12 3944 1 1 16 TRP HA H 3.309 -0.580 2.885 1.00 . A A . 16 TRP HA 1 1 12 3945 1 1 16 TRP HB2 H 4.527 -2.629 3.188 1.00 . A A . 16 TRP HB2 1 1 12 3946 1 1 16 TRP HB3 H 5.471 -2.314 1.750 1.00 . A A . 16 TRP HB3 1 1 12 3947 1 1 16 TRP HD1 H 7.317 -0.435 1.827 1.00 . A A . 16 TRP HD1 1 1 12 3948 1 1 16 TRP HE1 H 8.839 0.210 3.787 1.00 . A A . 16 TRP HE1 1 1 12 3949 1 1 16 TRP HE3 H 4.406 -2.063 5.667 1.00 . A A . 16 TRP HE3 1 1 12 3950 1 1 16 TRP HH2 H 7.252 -0.623 8.556 1.00 . A A . 16 TRP HH2 1 1 12 3951 1 1 16 TRP HZ2 H 8.708 0.190 6.690 1.00 . A A . 16 TRP HZ2 1 1 12 3952 1 1 16 TRP HZ3 H 5.105 -1.753 8.029 1.00 . A A . 16 TRP HZ3 1 1 12 3953 1 1 16 TRP N N 2.751 -1.921 1.415 1.00 . A A . 16 TRP N 1 1 12 3954 1 1 16 TRP NE1 N 7.904 -0.147 3.929 1.00 . A A . 16 TRP NE1 1 1 12 3955 1 1 16 TRP O O 5.073 0.078 0.263 1.00 . A A . 16 TRP O 1 1 12 3956 1 1 17 ASP C C 5.379 3.370 1.149 1.00 . A A . 17 ASP C 1 1 12 3957 1 1 17 ASP CA C 4.022 2.698 0.856 1.00 . A A . 17 ASP CA 1 1 12 3958 1 1 17 ASP CB C 2.929 3.695 1.320 1.00 . A A . 17 ASP CB 1 1 12 3959 1 1 17 ASP CG C 2.013 4.173 0.190 1.00 . A A . 17 ASP CG 1 1 12 3960 1 1 17 ASP H H 3.102 1.394 2.267 1.00 . A A . 17 ASP H 1 1 12 3961 1 1 17 ASP HA H 3.962 2.566 -0.226 1.00 . A A . 17 ASP HA 1 1 12 3962 1 1 17 ASP HB2 H 2.334 3.229 2.102 1.00 . A A . 17 ASP HB2 1 1 12 3963 1 1 17 ASP HB3 H 3.374 4.574 1.790 1.00 . A A . 17 ASP HB3 1 1 12 3964 1 1 17 ASP N N 3.779 1.393 1.526 1.00 . A A . 17 ASP N 1 1 12 3965 1 1 17 ASP O O 5.678 4.445 0.627 1.00 . A A . 17 ASP O 1 1 12 3966 1 1 17 ASP OD1 O 2.504 4.446 -0.920 1.00 . A A . 17 ASP OD1 1 1 12 3967 1 1 17 ASP OD2 O 0.782 4.162 0.416 1.00 . A A . 17 ASP OD2 1 1 12 3968 1 1 18 GLN C C 8.384 3.970 1.751 1.00 . A A . 18 GLN C 1 1 12 3969 1 1 18 GLN CA C 7.213 3.675 2.714 1.00 . A A . 18 GLN CA 1 1 12 3970 1 1 18 GLN CB C 7.710 3.006 4.003 1.00 . A A . 18 GLN CB 1 1 12 3971 1 1 18 GLN CD C 9.384 3.613 5.765 1.00 . A A . 18 GLN CD 1 1 12 3972 1 1 18 GLN CG C 8.054 3.989 5.132 1.00 . A A . 18 GLN CG 1 1 12 3973 1 1 18 GLN H H 5.943 1.931 2.441 1.00 . A A . 18 GLN H 1 1 12 3974 1 1 18 GLN HA H 6.741 4.624 2.974 1.00 . A A . 18 GLN HA 1 1 12 3975 1 1 18 GLN HB2 H 6.947 2.329 4.382 1.00 . A A . 18 GLN HB2 1 1 12 3976 1 1 18 GLN HB3 H 8.590 2.411 3.752 1.00 . A A . 18 GLN HB3 1 1 12 3977 1 1 18 GLN HE21 H 8.583 2.285 7.083 1.00 . A A . 18 GLN HE21 1 1 12 3978 1 1 18 GLN HE22 H 10.330 2.439 7.041 1.00 . A A . 18 GLN HE22 1 1 12 3979 1 1 18 GLN HG2 H 8.133 5.002 4.743 1.00 . A A . 18 GLN HG2 1 1 12 3980 1 1 18 GLN HG3 H 7.265 3.980 5.884 1.00 . A A . 18 GLN HG3 1 1 12 3981 1 1 18 GLN N N 6.165 2.854 2.098 1.00 . A A . 18 GLN N 1 1 12 3982 1 1 18 GLN NE2 N 9.417 2.732 6.736 1.00 . A A . 18 GLN NE2 1 1 12 3983 1 1 18 GLN O O 8.769 3.141 0.935 1.00 . A A . 18 GLN O 1 1 12 3984 1 1 18 GLN OE1 O 10.422 4.109 5.354 1.00 . A A . 18 GLN OE1 1 1 12 3985 1 1 19 HIS C C 11.495 4.843 1.141 1.00 . A A . 19 HIS C 1 1 12 3986 1 1 19 HIS CA C 10.168 5.658 1.136 1.00 . A A . 19 HIS CA 1 1 12 3987 1 1 19 HIS CB C 10.411 7.118 1.579 1.00 . A A . 19 HIS CB 1 1 12 3988 1 1 19 HIS CD2 C 11.733 8.383 3.380 1.00 . A A . 19 HIS CD2 1 1 12 3989 1 1 19 HIS CE1 C 11.920 6.800 4.923 1.00 . A A . 19 HIS CE1 1 1 12 3990 1 1 19 HIS CG C 11.065 7.274 2.940 1.00 . A A . 19 HIS CG 1 1 12 3991 1 1 19 HIS H H 8.571 5.759 2.563 1.00 . A A . 19 HIS H 1 1 12 3992 1 1 19 HIS HA H 9.847 5.680 0.091 1.00 . A A . 19 HIS HA 1 1 12 3993 1 1 19 HIS HB2 H 11.060 7.592 0.838 1.00 . A A . 19 HIS HB2 1 1 12 3994 1 1 19 HIS HB3 H 9.467 7.667 1.570 1.00 . A A . 19 HIS HB3 1 1 12 3995 1 1 19 HIS HD1 H 10.838 5.338 3.912 1.00 . A A . 19 HIS HD1 1 1 12 3996 1 1 19 HIS HD2 H 11.856 9.308 2.825 1.00 . A A . 19 HIS HD2 1 1 12 3997 1 1 19 HIS HE1 H 12.189 6.231 5.811 1.00 . A A . 19 HIS HE1 1 1 12 3998 1 1 19 HIS HE2 H 12.839 8.679 5.198 1.00 . A A . 19 HIS HE2 1 1 12 3999 1 1 19 HIS N N 9.034 5.128 1.928 1.00 . A A . 19 HIS N 1 1 12 4000 1 1 19 HIS ND1 N 11.191 6.298 3.914 1.00 . A A . 19 HIS ND1 1 1 12 4001 1 1 19 HIS NE2 N 12.261 8.073 4.625 1.00 . A A . 19 HIS NE2 1 1 12 4002 1 1 19 HIS O O 12.563 5.444 1.046 1.00 . A A . 19 HIS O 1 1 12 4003 1 1 20 ALA C C 12.403 1.383 0.552 1.00 . A A . 20 ALA C 1 1 12 4004 1 1 20 ALA CA C 12.632 2.637 1.428 1.00 . A A . 20 ALA CA 1 1 12 4005 1 1 20 ALA CB C 12.830 2.279 2.911 1.00 . A A . 20 ALA CB 1 1 12 4006 1 1 20 ALA H H 10.571 3.060 1.247 1.00 . A A . 20 ALA H 1 1 12 4007 1 1 20 ALA HA H 13.518 3.161 1.069 1.00 . A A . 20 ALA HA 1 1 12 4008 1 1 20 ALA HB1 H 12.901 3.189 3.508 1.00 . A A . 20 ALA HB1 1 1 12 4009 1 1 20 ALA HB2 H 11.990 1.679 3.266 1.00 . A A . 20 ALA HB2 1 1 12 4010 1 1 20 ALA HB3 H 13.744 1.699 3.039 1.00 . A A . 20 ALA HB3 1 1 12 4011 1 1 20 ALA N N 11.470 3.526 1.338 1.00 . A A . 20 ALA N 1 1 12 4012 1 1 20 ALA O O 11.254 0.970 0.412 1.00 . A A . 20 ALA O 1 1 12 4013 1 1 21 PRO C C 12.779 -1.649 -0.287 1.00 . A A . 21 PRO C 1 1 12 4014 1 1 21 PRO CA C 13.281 -0.363 -0.960 1.00 . A A . 21 PRO CA 1 1 12 4015 1 1 21 PRO CB C 14.661 -0.575 -1.591 1.00 . A A . 21 PRO CB 1 1 12 4016 1 1 21 PRO CD C 14.859 1.110 0.102 1.00 . A A . 21 PRO CD 1 1 12 4017 1 1 21 PRO CG C 15.625 -0.054 -0.525 1.00 . A A . 21 PRO CG 1 1 12 4018 1 1 21 PRO HA H 12.568 -0.096 -1.741 1.00 . A A . 21 PRO HA 1 1 12 4019 1 1 21 PRO HB2 H 14.849 -1.623 -1.829 1.00 . A A . 21 PRO HB2 1 1 12 4020 1 1 21 PRO HB3 H 14.745 0.035 -2.491 1.00 . A A . 21 PRO HB3 1 1 12 4021 1 1 21 PRO HD2 H 15.148 1.226 1.148 1.00 . A A . 21 PRO HD2 1 1 12 4022 1 1 21 PRO HD3 H 15.063 2.028 -0.453 1.00 . A A . 21 PRO HD3 1 1 12 4023 1 1 21 PRO HG2 H 15.790 -0.827 0.228 1.00 . A A . 21 PRO HG2 1 1 12 4024 1 1 21 PRO HG3 H 16.574 0.268 -0.955 1.00 . A A . 21 PRO HG3 1 1 12 4025 1 1 21 PRO N N 13.450 0.764 -0.030 1.00 . A A . 21 PRO N 1 1 12 4026 1 1 21 PRO O O 12.174 -2.489 -0.944 1.00 . A A . 21 PRO O 1 1 12 4027 1 1 22 LEU C C 12.459 -2.229 3.350 1.00 . A A . 22 LEU C 1 1 12 4028 1 1 22 LEU CA C 12.468 -2.787 1.921 1.00 . A A . 22 LEU CA 1 1 12 4029 1 1 22 LEU CB C 13.220 -4.125 1.778 1.00 . A A . 22 LEU CB 1 1 12 4030 1 1 22 LEU CD1 C 15.067 -4.560 3.475 1.00 . A A . 22 LEU CD1 1 1 12 4031 1 1 22 LEU CD2 C 15.505 -4.906 1.054 1.00 . A A . 22 LEU CD2 1 1 12 4032 1 1 22 LEU CG C 14.735 -4.062 2.071 1.00 . A A . 22 LEU CG 1 1 12 4033 1 1 22 LEU H H 13.502 -1.034 1.484 1.00 . A A . 22 LEU H 1 1 12 4034 1 1 22 LEU HA H 11.434 -2.950 1.635 1.00 . A A . 22 LEU HA 1 1 12 4035 1 1 22 LEU HB2 H 12.751 -4.872 2.422 1.00 . A A . 22 LEU HB2 1 1 12 4036 1 1 22 LEU HB3 H 13.066 -4.467 0.755 1.00 . A A . 22 LEU HB3 1 1 12 4037 1 1 22 LEU HD11 H 14.562 -3.960 4.229 1.00 . A A . 22 LEU HD11 1 1 12 4038 1 1 22 LEU HD12 H 16.139 -4.515 3.649 1.00 . A A . 22 LEU HD12 1 1 12 4039 1 1 22 LEU HD13 H 14.738 -5.596 3.587 1.00 . A A . 22 LEU HD13 1 1 12 4040 1 1 22 LEU HD21 H 16.571 -4.863 1.268 1.00 . A A . 22 LEU HD21 1 1 12 4041 1 1 22 LEU HD22 H 15.327 -4.525 0.049 1.00 . A A . 22 LEU HD22 1 1 12 4042 1 1 22 LEU HD23 H 15.165 -5.942 1.110 1.00 . A A . 22 LEU HD23 1 1 12 4043 1 1 22 LEU HG H 15.094 -3.037 1.982 1.00 . A A . 22 LEU HG 1 1 12 4044 1 1 22 LEU N N 13.026 -1.789 1.015 1.00 . A A . 22 LEU N 1 1 12 4045 1 1 22 LEU O O 12.941 -1.112 3.579 1.00 . A A . 22 LEU O 1 1 12 4046 1 1 23 ALA C C 11.782 -3.800 6.684 1.00 . A A . 23 ALA C 1 1 12 4047 1 1 23 ALA CA C 11.834 -2.604 5.710 1.00 . A A . 23 ALA CA 1 1 12 4048 1 1 23 ALA CB C 10.613 -1.700 5.910 1.00 . A A . 23 ALA CB 1 1 12 4049 1 1 23 ALA H H 11.546 -3.895 4.039 1.00 . A A . 23 ALA H 1 1 12 4050 1 1 23 ALA HA H 12.732 -2.038 5.962 1.00 . A A . 23 ALA HA 1 1 12 4051 1 1 23 ALA HB1 H 10.664 -0.843 5.240 1.00 . A A . 23 ALA HB1 1 1 12 4052 1 1 23 ALA HB2 H 9.701 -2.267 5.716 1.00 . A A . 23 ALA HB2 1 1 12 4053 1 1 23 ALA HB3 H 10.595 -1.351 6.943 1.00 . A A . 23 ALA HB3 1 1 12 4054 1 1 23 ALA N N 11.891 -2.978 4.294 1.00 . A A . 23 ALA N 1 1 12 4055 1 1 23 ALA O O 11.787 -3.573 7.891 1.00 . A A . 23 ALA O 1 1 12 4056 1 1 24 ASP C C 12.567 -7.284 5.952 1.00 . A A . 24 ASP C 1 1 12 4057 1 1 24 ASP CA C 11.651 -6.346 6.772 1.00 . A A . 24 ASP CA 1 1 12 4058 1 1 24 ASP CB C 10.165 -6.801 6.768 1.00 . A A . 24 ASP CB 1 1 12 4059 1 1 24 ASP CG C 9.712 -7.699 7.940 1.00 . A A . 24 ASP CG 1 1 12 4060 1 1 24 ASP H H 11.925 -5.178 5.165 1.00 . A A . 24 ASP H 1 1 12 4061 1 1 24 ASP HA H 12.015 -6.310 7.798 1.00 . A A . 24 ASP HA 1 1 12 4062 1 1 24 ASP HB2 H 9.528 -5.915 6.796 1.00 . A A . 24 ASP HB2 1 1 12 4063 1 1 24 ASP HB3 H 9.951 -7.303 5.822 1.00 . A A . 24 ASP HB3 1 1 12 4064 1 1 24 ASP N N 11.739 -5.021 6.145 1.00 . A A . 24 ASP N 1 1 12 4065 1 1 24 ASP O O 13.192 -8.190 6.543 1.00 . A A . 24 ASP O 1 1 12 4066 1 1 24 ASP OXT O 12.728 -6.982 4.739 1.00 . A A . 24 ASP OXT 1 1 12 4067 1 1 24 ASP OD1 O 9.988 -7.341 9.111 1.00 . A A . 24 ASP OD1 1 1 12 4068 1 1 24 ASP OD2 O 8.954 -8.662 7.676 1.00 . A A . 24 ASP OD2 1 1 13 4069 1 1 1 GLY C C 1.911 0.018 -2.195 1.00 . A A . 1 GLY C 1 1 13 4070 1 1 1 GLY CA C 1.066 1.092 -1.488 1.00 . A A . 1 GLY CA 1 1 13 4071 1 1 1 GLY H1 H 1.283 0.016 0.314 1.00 . A A . 1 GLY H1 1 1 13 4072 1 1 1 GLY HA2 H 0.160 1.244 -2.067 1.00 . A A . 1 GLY HA2 1 1 13 4073 1 1 1 GLY HA3 H 1.628 2.019 -1.495 1.00 . A A . 1 GLY HA3 1 1 13 4074 1 1 1 GLY N N 0.701 0.721 -0.114 1.00 . A A . 1 GLY N 1 1 13 4075 1 1 1 GLY O O 2.020 -1.098 -1.700 1.00 . A A . 1 GLY O 1 1 13 4076 1 1 2 PRO C C 4.325 -1.297 -4.065 1.00 . A A . 2 PRO C 1 1 13 4077 1 1 2 PRO CA C 2.872 -0.817 -4.308 1.00 . A A . 2 PRO CA 1 1 13 4078 1 1 2 PRO CB C 2.646 -0.239 -5.713 1.00 . A A . 2 PRO CB 1 1 13 4079 1 1 2 PRO CD C 2.343 1.522 -4.138 1.00 . A A . 2 PRO CD 1 1 13 4080 1 1 2 PRO CG C 2.934 1.249 -5.521 1.00 . A A . 2 PRO CG 1 1 13 4081 1 1 2 PRO HA H 2.229 -1.688 -4.199 1.00 . A A . 2 PRO HA 1 1 13 4082 1 1 2 PRO HB2 H 3.287 -0.694 -6.468 1.00 . A A . 2 PRO HB2 1 1 13 4083 1 1 2 PRO HB3 H 1.599 -0.366 -5.991 1.00 . A A . 2 PRO HB3 1 1 13 4084 1 1 2 PRO HD2 H 2.918 2.295 -3.628 1.00 . A A . 2 PRO HD2 1 1 13 4085 1 1 2 PRO HD3 H 1.302 1.831 -4.241 1.00 . A A . 2 PRO HD3 1 1 13 4086 1 1 2 PRO HG2 H 4.011 1.418 -5.507 1.00 . A A . 2 PRO HG2 1 1 13 4087 1 1 2 PRO HG3 H 2.463 1.861 -6.290 1.00 . A A . 2 PRO HG3 1 1 13 4088 1 1 2 PRO N N 2.412 0.256 -3.419 1.00 . A A . 2 PRO N 1 1 13 4089 1 1 2 PRO O O 5.219 -0.956 -4.837 1.00 . A A . 2 PRO O 1 1 13 4090 1 1 3 THR C C 5.614 -4.284 -2.269 1.00 . A A . 3 THR C 1 1 13 4091 1 1 3 THR CA C 5.855 -2.848 -2.822 1.00 . A A . 3 THR CA 1 1 13 4092 1 1 3 THR CB C 6.782 -1.905 -2.017 1.00 . A A . 3 THR CB 1 1 13 4093 1 1 3 THR CG2 C 7.153 -2.237 -0.579 1.00 . A A . 3 THR CG2 1 1 13 4094 1 1 3 THR H H 3.837 -2.319 -2.370 1.00 . A A . 3 THR H 1 1 13 4095 1 1 3 THR HA H 6.320 -2.984 -3.798 1.00 . A A . 3 THR HA 1 1 13 4096 1 1 3 THR HB H 6.320 -0.918 -1.999 1.00 . A A . 3 THR HB 1 1 13 4097 1 1 3 THR HG1 H 8.415 -0.965 -2.361 1.00 . A A . 3 THR HG1 1 1 13 4098 1 1 3 THR HG21 H 7.853 -3.058 -0.535 1.00 . A A . 3 THR HG21 1 1 13 4099 1 1 3 THR HG22 H 6.262 -2.485 -0.018 1.00 . A A . 3 THR HG22 1 1 13 4100 1 1 3 THR HG23 H 7.621 -1.361 -0.138 1.00 . A A . 3 THR HG23 1 1 13 4101 1 1 3 THR N N 4.568 -2.140 -3.053 1.00 . A A . 3 THR N 1 1 13 4102 1 1 3 THR O O 4.474 -4.743 -2.344 1.00 . A A . 3 THR O 1 1 13 4103 1 1 3 THR OG1 O 8.004 -1.763 -2.701 1.00 . A A . 3 THR OG1 1 1 13 4104 1 1 4 PRO C C 6.152 -6.613 0.222 1.00 . A A . 4 PRO C 1 1 13 4105 1 1 4 PRO CA C 6.385 -6.453 -1.306 1.00 . A A . 4 PRO CA 1 1 13 4106 1 1 4 PRO CB C 7.583 -7.303 -1.763 1.00 . A A . 4 PRO CB 1 1 13 4107 1 1 4 PRO CD C 7.953 -5.043 -2.471 1.00 . A A . 4 PRO CD 1 1 13 4108 1 1 4 PRO CG C 8.697 -6.298 -2.023 1.00 . A A . 4 PRO CG 1 1 13 4109 1 1 4 PRO HA H 5.503 -6.883 -1.780 1.00 . A A . 4 PRO HA 1 1 13 4110 1 1 4 PRO HB2 H 7.893 -8.036 -1.016 1.00 . A A . 4 PRO HB2 1 1 13 4111 1 1 4 PRO HB3 H 7.334 -7.810 -2.697 1.00 . A A . 4 PRO HB3 1 1 13 4112 1 1 4 PRO HD2 H 8.520 -4.164 -2.175 1.00 . A A . 4 PRO HD2 1 1 13 4113 1 1 4 PRO HD3 H 7.849 -5.057 -3.557 1.00 . A A . 4 PRO HD3 1 1 13 4114 1 1 4 PRO HG2 H 9.238 -6.107 -1.099 1.00 . A A . 4 PRO HG2 1 1 13 4115 1 1 4 PRO HG3 H 9.384 -6.647 -2.795 1.00 . A A . 4 PRO HG3 1 1 13 4116 1 1 4 PRO N N 6.621 -5.101 -1.870 1.00 . A A . 4 PRO N 1 1 13 4117 1 1 4 PRO O O 5.930 -7.744 0.646 1.00 . A A . 4 PRO O 1 1 13 4118 1 1 5 MET C C 4.616 -5.456 3.031 1.00 . A A . 5 MET C 1 1 13 4119 1 1 5 MET CA C 6.059 -5.703 2.543 1.00 . A A . 5 MET CA 1 1 13 4120 1 1 5 MET CB C 7.050 -4.763 3.267 1.00 . A A . 5 MET CB 1 1 13 4121 1 1 5 MET CE C 9.513 -4.698 1.218 1.00 . A A . 5 MET CE 1 1 13 4122 1 1 5 MET CG C 8.369 -5.454 3.647 1.00 . A A . 5 MET CG 1 1 13 4123 1 1 5 MET H H 6.249 -4.653 0.654 1.00 . A A . 5 MET H 1 1 13 4124 1 1 5 MET HA H 6.298 -6.730 2.833 1.00 . A A . 5 MET HA 1 1 13 4125 1 1 5 MET HB2 H 7.256 -3.883 2.655 1.00 . A A . 5 MET HB2 1 1 13 4126 1 1 5 MET HB3 H 6.609 -4.407 4.200 1.00 . A A . 5 MET HB3 1 1 13 4127 1 1 5 MET HE1 H 8.650 -4.671 0.561 1.00 . A A . 5 MET HE1 1 1 13 4128 1 1 5 MET HE2 H 9.531 -3.791 1.818 1.00 . A A . 5 MET HE2 1 1 13 4129 1 1 5 MET HE3 H 10.418 -4.775 0.615 1.00 . A A . 5 MET HE3 1 1 13 4130 1 1 5 MET HG2 H 8.982 -4.732 4.192 1.00 . A A . 5 MET HG2 1 1 13 4131 1 1 5 MET HG3 H 8.147 -6.273 4.336 1.00 . A A . 5 MET HG3 1 1 13 4132 1 1 5 MET N N 6.199 -5.570 1.065 1.00 . A A . 5 MET N 1 1 13 4133 1 1 5 MET O O 3.759 -5.042 2.261 1.00 . A A . 5 MET O 1 1 13 4134 1 1 5 MET SD S 9.369 -6.139 2.293 1.00 . A A . 5 MET SD 1 1 13 4135 1 1 6 VAL C C 2.850 -4.458 5.998 1.00 . A A . 6 VAL C 1 1 13 4136 1 1 6 VAL CA C 2.937 -5.481 4.860 1.00 . A A . 6 VAL CA 1 1 13 4137 1 1 6 VAL CB C 2.320 -6.848 5.223 1.00 . A A . 6 VAL CB 1 1 13 4138 1 1 6 VAL CG1 C 2.985 -7.535 6.419 1.00 . A A . 6 VAL CG1 1 1 13 4139 1 1 6 VAL CG2 C 0.815 -6.728 5.492 1.00 . A A . 6 VAL CG2 1 1 13 4140 1 1 6 VAL H H 5.041 -5.951 4.954 1.00 . A A . 6 VAL H 1 1 13 4141 1 1 6 VAL HA H 2.312 -5.077 4.065 1.00 . A A . 6 VAL HA 1 1 13 4142 1 1 6 VAL HB H 2.439 -7.503 4.360 1.00 . A A . 6 VAL HB 1 1 13 4143 1 1 6 VAL HG11 H 2.834 -6.954 7.327 1.00 . A A . 6 VAL HG11 1 1 13 4144 1 1 6 VAL HG12 H 2.558 -8.527 6.562 1.00 . A A . 6 VAL HG12 1 1 13 4145 1 1 6 VAL HG13 H 4.054 -7.646 6.242 1.00 . A A . 6 VAL HG13 1 1 13 4146 1 1 6 VAL HG21 H 0.633 -6.124 6.381 1.00 . A A . 6 VAL HG21 1 1 13 4147 1 1 6 VAL HG22 H 0.319 -6.278 4.632 1.00 . A A . 6 VAL HG22 1 1 13 4148 1 1 6 VAL HG23 H 0.400 -7.723 5.654 1.00 . A A . 6 VAL HG23 1 1 13 4149 1 1 6 VAL N N 4.309 -5.650 4.323 1.00 . A A . 6 VAL N 1 1 13 4150 1 1 6 VAL O O 3.649 -4.465 6.928 1.00 . A A . 6 VAL O 1 1 13 4151 1 1 7 GLY C C 1.767 -1.068 6.077 1.00 . A A . 7 GLY C 1 1 13 4152 1 1 7 GLY CA C 1.682 -2.408 6.816 1.00 . A A . 7 GLY CA 1 1 13 4153 1 1 7 GLY H H 1.313 -3.570 5.070 1.00 . A A . 7 GLY H 1 1 13 4154 1 1 7 GLY HA2 H 0.700 -2.484 7.282 1.00 . A A . 7 GLY HA2 1 1 13 4155 1 1 7 GLY HA3 H 2.442 -2.420 7.600 1.00 . A A . 7 GLY HA3 1 1 13 4156 1 1 7 GLY N N 1.871 -3.551 5.911 1.00 . A A . 7 GLY N 1 1 13 4157 1 1 7 GLY O O 1.839 -1.048 4.850 1.00 . A A . 7 GLY O 1 1 13 4158 1 1 8 LEU C C 0.904 2.022 5.460 1.00 . A A . 8 LEU C 1 1 13 4159 1 1 8 LEU CA C 1.988 1.441 6.396 1.00 . A A . 8 LEU CA 1 1 13 4160 1 1 8 LEU CB C 3.419 1.575 5.810 1.00 . A A . 8 LEU CB 1 1 13 4161 1 1 8 LEU CD1 C 3.337 4.142 5.453 1.00 . A A . 8 LEU CD1 1 1 13 4162 1 1 8 LEU CD2 C 4.668 3.197 7.328 1.00 . A A . 8 LEU CD2 1 1 13 4163 1 1 8 LEU CG C 4.147 2.931 5.913 1.00 . A A . 8 LEU CG 1 1 13 4164 1 1 8 LEU H H 1.704 -0.106 7.824 1.00 . A A . 8 LEU H 1 1 13 4165 1 1 8 LEU HA H 1.948 2.050 7.298 1.00 . A A . 8 LEU HA 1 1 13 4166 1 1 8 LEU HB2 H 4.064 0.848 6.299 1.00 . A A . 8 LEU HB2 1 1 13 4167 1 1 8 LEU HB3 H 3.389 1.295 4.758 1.00 . A A . 8 LEU HB3 1 1 13 4168 1 1 8 LEU HD11 H 2.907 3.948 4.470 1.00 . A A . 8 LEU HD11 1 1 13 4169 1 1 8 LEU HD12 H 3.982 5.019 5.393 1.00 . A A . 8 LEU HD12 1 1 13 4170 1 1 8 LEU HD13 H 2.526 4.353 6.150 1.00 . A A . 8 LEU HD13 1 1 13 4171 1 1 8 LEU HD21 H 5.272 2.351 7.660 1.00 . A A . 8 LEU HD21 1 1 13 4172 1 1 8 LEU HD22 H 3.837 3.340 8.018 1.00 . A A . 8 LEU HD22 1 1 13 4173 1 1 8 LEU HD23 H 5.290 4.094 7.330 1.00 . A A . 8 LEU HD23 1 1 13 4174 1 1 8 LEU HG H 5.022 2.866 5.266 1.00 . A A . 8 LEU HG 1 1 13 4175 1 1 8 LEU N N 1.772 0.042 6.829 1.00 . A A . 8 LEU N 1 1 13 4176 1 1 8 LEU O O 0.305 3.036 5.793 1.00 . A A . 8 LEU O 1 1 13 4177 1 1 9 ASP C C -1.367 2.624 3.415 1.00 . A A . 9 ASP C 1 1 13 4178 1 1 9 ASP CA C -0.047 1.902 3.126 1.00 . A A . 9 ASP CA 1 1 13 4179 1 1 9 ASP CB C -0.179 0.751 2.118 1.00 . A A . 9 ASP CB 1 1 13 4180 1 1 9 ASP CG C -0.282 1.215 0.655 1.00 . A A . 9 ASP CG 1 1 13 4181 1 1 9 ASP H H 1.139 0.502 4.209 1.00 . A A . 9 ASP H 1 1 13 4182 1 1 9 ASP HA H 0.572 2.668 2.674 1.00 . A A . 9 ASP HA 1 1 13 4183 1 1 9 ASP HB2 H 0.701 0.110 2.212 1.00 . A A . 9 ASP HB2 1 1 13 4184 1 1 9 ASP HB3 H -1.040 0.135 2.388 1.00 . A A . 9 ASP HB3 1 1 13 4185 1 1 9 ASP N N 0.661 1.390 4.311 1.00 . A A . 9 ASP N 1 1 13 4186 1 1 9 ASP O O -1.486 3.802 3.098 1.00 . A A . 9 ASP O 1 1 13 4187 1 1 9 ASP OD1 O -1.467 1.246 0.230 1.00 . A A . 9 ASP OD1 1 1 13 4188 1 1 10 SER C C -4.504 3.326 3.740 1.00 . A A . 10 SER C 1 1 13 4189 1 1 10 SER CA C -3.553 2.525 4.656 1.00 . A A . 10 SER CA 1 1 13 4190 1 1 10 SER CB C -3.157 3.373 5.875 1.00 . A A . 10 SER CB 1 1 13 4191 1 1 10 SER H H -2.123 0.985 4.241 1.00 . A A . 10 SER H 1 1 13 4192 1 1 10 SER HA H -4.138 1.691 5.040 1.00 . A A . 10 SER HA 1 1 13 4193 1 1 10 SER HB2 H -2.397 2.851 6.457 1.00 . A A . 10 SER HB2 1 1 13 4194 1 1 10 SER HB3 H -2.744 4.331 5.553 1.00 . A A . 10 SER HB3 1 1 13 4195 1 1 10 SER HG H -5.019 3.854 6.091 1.00 . A A . 10 SER HG 1 1 13 4196 1 1 10 SER N N -2.334 1.953 4.052 1.00 . A A . 10 SER N 1 1 13 4197 1 1 10 SER O O -5.605 3.656 4.179 1.00 . A A . 10 SER O 1 1 13 4198 1 1 10 SER OG O -4.298 3.585 6.682 1.00 . A A . 10 SER OG 1 1 13 4199 1 1 11 VAL C C -4.764 4.053 0.152 1.00 . A A . 11 VAL C 1 1 13 4200 1 1 11 VAL CA C -4.764 4.588 1.587 1.00 . A A . 11 VAL CA 1 1 13 4201 1 1 11 VAL CB C -4.088 5.979 1.646 1.00 . A A . 11 VAL CB 1 1 13 4202 1 1 11 VAL CG1 C -4.854 7.011 0.805 1.00 . A A . 11 VAL CG1 1 1 13 4203 1 1 11 VAL CG2 C -3.977 6.553 3.068 1.00 . A A . 11 VAL CG2 1 1 13 4204 1 1 11 VAL H H -3.139 3.420 2.320 1.00 . A A . 11 VAL H 1 1 13 4205 1 1 11 VAL HA H -5.807 4.704 1.882 1.00 . A A . 11 VAL HA 1 1 13 4206 1 1 11 VAL HB H -3.078 5.896 1.244 1.00 . A A . 11 VAL HB 1 1 13 4207 1 1 11 VAL HG11 H -5.867 7.132 1.192 1.00 . A A . 11 VAL HG11 1 1 13 4208 1 1 11 VAL HG12 H -4.333 7.968 0.840 1.00 . A A . 11 VAL HG12 1 1 13 4209 1 1 11 VAL HG13 H -4.902 6.692 -0.236 1.00 . A A . 11 VAL HG13 1 1 13 4210 1 1 11 VAL HG21 H -3.581 7.569 3.028 1.00 . A A . 11 VAL HG21 1 1 13 4211 1 1 11 VAL HG22 H -4.957 6.563 3.547 1.00 . A A . 11 VAL HG22 1 1 13 4212 1 1 11 VAL HG23 H -3.282 5.952 3.657 1.00 . A A . 11 VAL HG23 1 1 13 4213 1 1 11 VAL N N -4.110 3.643 2.504 1.00 . A A . 11 VAL N 1 1 13 4214 1 1 11 VAL O O -5.829 3.982 -0.457 1.00 . A A . 11 VAL O 1 1 13 4215 1 1 12 SER C C -4.071 1.640 -1.832 1.00 . A A . 12 SER C 1 1 13 4216 1 1 12 SER CA C -3.573 3.093 -1.768 1.00 . A A . 12 SER CA 1 1 13 4217 1 1 12 SER CB C -2.175 3.186 -2.384 1.00 . A A . 12 SER CB 1 1 13 4218 1 1 12 SER H H -2.743 3.703 0.118 1.00 . A A . 12 SER H 1 1 13 4219 1 1 12 SER HA H -4.235 3.684 -2.401 1.00 . A A . 12 SER HA 1 1 13 4220 1 1 12 SER HB2 H -1.781 4.201 -2.293 1.00 . A A . 12 SER HB2 1 1 13 4221 1 1 12 SER HB3 H -1.509 2.495 -1.876 1.00 . A A . 12 SER HB3 1 1 13 4222 1 1 12 SER HG H -2.911 2.133 -3.845 1.00 . A A . 12 SER HG 1 1 13 4223 1 1 12 SER N N -3.609 3.661 -0.406 1.00 . A A . 12 SER N 1 1 13 4224 1 1 12 SER O O -4.339 1.146 -2.928 1.00 . A A . 12 SER O 1 1 13 4225 1 1 12 SER OG O -2.254 2.842 -3.757 1.00 . A A . 12 SER OG 1 1 13 4226 1 1 13 GLY C C -3.907 -1.534 -0.810 1.00 . A A . 13 GLY C 1 1 13 4227 1 1 13 GLY CA C -4.844 -0.349 -0.556 1.00 . A A . 13 GLY CA 1 1 13 4228 1 1 13 GLY H H -3.802 1.400 0.128 1.00 . A A . 13 GLY H 1 1 13 4229 1 1 13 GLY HA2 H -5.252 -0.445 0.449 1.00 . A A . 13 GLY HA2 1 1 13 4230 1 1 13 GLY HA3 H -5.676 -0.416 -1.258 1.00 . A A . 13 GLY HA3 1 1 13 4231 1 1 13 GLY N N -4.219 0.968 -0.685 1.00 . A A . 13 GLY N 1 1 13 4232 1 1 13 GLY O O -4.400 -2.615 -1.126 1.00 . A A . 13 GLY O 1 1 13 4233 1 1 14 GLN C C -0.403 -2.504 -0.204 1.00 . A A . 14 GLN C 1 1 13 4234 1 1 14 GLN CA C -1.583 -2.308 -1.191 1.00 . A A . 14 GLN CA 1 1 13 4235 1 1 14 GLN CB C -1.171 -1.898 -2.630 1.00 . A A . 14 GLN CB 1 1 13 4236 1 1 14 GLN CD C -0.591 -4.196 -3.627 1.00 . A A . 14 GLN CD 1 1 13 4237 1 1 14 GLN CG C -1.477 -2.956 -3.706 1.00 . A A . 14 GLN CG 1 1 13 4238 1 1 14 GLN H H -2.251 -0.435 -0.399 1.00 . A A . 14 GLN H 1 1 13 4239 1 1 14 GLN HA H -2.063 -3.286 -1.250 1.00 . A A . 14 GLN HA 1 1 13 4240 1 1 14 GLN HB2 H -1.695 -0.983 -2.920 1.00 . A A . 14 GLN HB2 1 1 13 4241 1 1 14 GLN HB3 H -0.115 -1.674 -2.678 1.00 . A A . 14 GLN HB3 1 1 13 4242 1 1 14 GLN HE21 H 1.196 -3.186 -3.669 1.00 . A A . 14 GLN HE21 1 1 13 4243 1 1 14 GLN HE22 H 1.227 -4.941 -3.597 1.00 . A A . 14 GLN HE22 1 1 13 4244 1 1 14 GLN HG2 H -2.520 -3.262 -3.625 1.00 . A A . 14 GLN HG2 1 1 13 4245 1 1 14 GLN HG3 H -1.337 -2.511 -4.692 1.00 . A A . 14 GLN HG3 1 1 13 4246 1 1 14 GLN N N -2.585 -1.343 -0.720 1.00 . A A . 14 GLN N 1 1 13 4247 1 1 14 GLN NE2 N 0.720 -4.070 -3.642 1.00 . A A . 14 GLN NE2 1 1 13 4248 1 1 14 GLN O O -0.364 -1.946 0.891 1.00 . A A . 14 GLN O 1 1 13 4249 1 1 14 GLN OE1 O -1.064 -5.312 -3.544 1.00 . A A . 14 GLN OE1 1 1 13 4250 1 1 15 TYR C C 2.819 -2.841 0.469 1.00 . A A . 15 TYR C 1 1 13 4251 1 1 15 TYR CA C 1.658 -3.854 0.260 1.00 . A A . 15 TYR CA 1 1 13 4252 1 1 15 TYR CB C 2.135 -5.168 -0.387 1.00 . A A . 15 TYR CB 1 1 13 4253 1 1 15 TYR CD1 C 1.178 -6.924 1.177 1.00 . A A . 15 TYR CD1 1 1 13 4254 1 1 15 TYR CD2 C 0.540 -6.974 -1.174 1.00 . A A . 15 TYR CD2 1 1 13 4255 1 1 15 TYR CE1 C 0.375 -8.055 1.421 1.00 . A A . 15 TYR CE1 1 1 13 4256 1 1 15 TYR CE2 C -0.272 -8.096 -0.932 1.00 . A A . 15 TYR CE2 1 1 13 4257 1 1 15 TYR CG C 1.256 -6.376 -0.119 1.00 . A A . 15 TYR CG 1 1 13 4258 1 1 15 TYR CZ C -0.355 -8.641 0.365 1.00 . A A . 15 TYR CZ 1 1 13 4259 1 1 15 TYR H H 0.455 -3.806 -1.465 1.00 . A A . 15 TYR H 1 1 13 4260 1 1 15 TYR HA H 1.283 -4.098 1.255 1.00 . A A . 15 TYR HA 1 1 13 4261 1 1 15 TYR HB2 H 2.196 -5.012 -1.462 1.00 . A A . 15 TYR HB2 1 1 13 4262 1 1 15 TYR HB3 H 3.143 -5.411 -0.060 1.00 . A A . 15 TYR HB3 1 1 13 4263 1 1 15 TYR HD1 H 1.753 -6.481 1.977 1.00 . A A . 15 TYR HD1 1 1 13 4264 1 1 15 TYR HD2 H 0.609 -6.582 -2.176 1.00 . A A . 15 TYR HD2 1 1 13 4265 1 1 15 TYR HE1 H 0.334 -8.472 2.413 1.00 . A A . 15 TYR HE1 1 1 13 4266 1 1 15 TYR HE2 H -0.827 -8.550 -1.736 1.00 . A A . 15 TYR HE2 1 1 13 4267 1 1 15 TYR HH H -0.985 -10.074 1.474 1.00 . A A . 15 TYR HH 1 1 13 4268 1 1 15 TYR N N 0.535 -3.378 -0.557 1.00 . A A . 15 TYR N 1 1 13 4269 1 1 15 TYR O O 3.839 -2.891 -0.210 1.00 . A A . 15 TYR O 1 1 13 4270 1 1 15 TYR OH O -1.120 -9.742 0.587 1.00 . A A . 15 TYR OH 1 1 13 4271 1 1 16 TRP C C 4.339 0.000 1.315 1.00 . A A . 16 TRP C 1 1 13 4272 1 1 16 TRP CA C 3.746 -1.166 2.129 1.00 . A A . 16 TRP CA 1 1 13 4273 1 1 16 TRP CB C 4.825 -2.066 2.737 1.00 . A A . 16 TRP CB 1 1 13 4274 1 1 16 TRP CD1 C 7.043 -0.870 2.998 1.00 . A A . 16 TRP CD1 1 1 13 4275 1 1 16 TRP CD2 C 6.027 -1.228 4.965 1.00 . A A . 16 TRP CD2 1 1 13 4276 1 1 16 TRP CE2 C 7.236 -0.530 5.249 1.00 . A A . 16 TRP CE2 1 1 13 4277 1 1 16 TRP CE3 C 5.238 -1.610 6.066 1.00 . A A . 16 TRP CE3 1 1 13 4278 1 1 16 TRP CG C 5.912 -1.393 3.520 1.00 . A A . 16 TRP CG 1 1 13 4279 1 1 16 TRP CH2 C 6.792 -0.568 7.631 1.00 . A A . 16 TRP CH2 1 1 13 4280 1 1 16 TRP CZ2 C 7.610 -0.177 6.557 1.00 . A A . 16 TRP CZ2 1 1 13 4281 1 1 16 TRP CZ3 C 5.614 -1.294 7.385 1.00 . A A . 16 TRP CZ3 1 1 13 4282 1 1 16 TRP H H 1.769 -1.978 1.911 1.00 . A A . 16 TRP H 1 1 13 4283 1 1 16 TRP HA H 3.276 -0.701 2.988 1.00 . A A . 16 TRP HA 1 1 13 4284 1 1 16 TRP HB2 H 4.327 -2.761 3.410 1.00 . A A . 16 TRP HB2 1 1 13 4285 1 1 16 TRP HB3 H 5.295 -2.646 1.948 1.00 . A A . 16 TRP HB3 1 1 13 4286 1 1 16 TRP HD1 H 7.283 -0.866 1.942 1.00 . A A . 16 TRP HD1 1 1 13 4287 1 1 16 TRP HE1 H 8.791 -0.086 3.861 1.00 . A A . 16 TRP HE1 1 1 13 4288 1 1 16 TRP HE3 H 4.352 -2.189 5.879 1.00 . A A . 16 TRP HE3 1 1 13 4289 1 1 16 TRP HH2 H 7.087 -0.359 8.651 1.00 . A A . 16 TRP HH2 1 1 13 4290 1 1 16 TRP HZ2 H 8.538 0.335 6.751 1.00 . A A . 16 TRP HZ2 1 1 13 4291 1 1 16 TRP HZ3 H 5.013 -1.644 8.213 1.00 . A A . 16 TRP HZ3 1 1 13 4292 1 1 16 TRP N N 2.686 -1.975 1.487 1.00 . A A . 16 TRP N 1 1 13 4293 1 1 16 TRP NE1 N 7.844 -0.395 4.018 1.00 . A A . 16 TRP NE1 1 1 13 4294 1 1 16 TRP O O 4.963 -0.150 0.273 1.00 . A A . 16 TRP O 1 1 13 4295 1 1 17 ASP C C 5.499 3.353 1.694 1.00 . A A . 17 ASP C 1 1 13 4296 1 1 17 ASP CA C 4.324 2.497 1.182 1.00 . A A . 17 ASP CA 1 1 13 4297 1 1 17 ASP CB C 2.984 3.227 1.362 1.00 . A A . 17 ASP CB 1 1 13 4298 1 1 17 ASP CG C 2.357 3.801 0.091 1.00 . A A . 17 ASP CG 1 1 13 4299 1 1 17 ASP H H 3.673 1.218 2.735 1.00 . A A . 17 ASP H 1 1 13 4300 1 1 17 ASP HA H 4.488 2.323 0.116 1.00 . A A . 17 ASP HA 1 1 13 4301 1 1 17 ASP HB2 H 2.283 2.495 1.737 1.00 . A A . 17 ASP HB2 1 1 13 4302 1 1 17 ASP HB3 H 3.070 4.003 2.122 1.00 . A A . 17 ASP HB3 1 1 13 4303 1 1 17 ASP N N 4.195 1.202 1.875 1.00 . A A . 17 ASP N 1 1 13 4304 1 1 17 ASP O O 5.560 4.569 1.488 1.00 . A A . 17 ASP O 1 1 13 4305 1 1 17 ASP OD1 O 3.090 4.032 -0.893 1.00 . A A . 17 ASP OD1 1 1 13 4306 1 1 17 ASP OD2 O 1.109 3.900 0.091 1.00 . A A . 17 ASP OD2 1 1 13 4307 1 1 18 GLN C C 8.450 3.999 1.713 1.00 . A A . 18 GLN C 1 1 13 4308 1 1 18 GLN CA C 7.587 3.544 2.904 1.00 . A A . 18 GLN CA 1 1 13 4309 1 1 18 GLN CB C 8.441 2.801 3.953 1.00 . A A . 18 GLN CB 1 1 13 4310 1 1 18 GLN CD C 10.308 3.387 5.714 1.00 . A A . 18 GLN CD 1 1 13 4311 1 1 18 GLN CG C 9.505 3.780 4.483 1.00 . A A . 18 GLN CG 1 1 13 4312 1 1 18 GLN H H 6.389 1.762 2.551 1.00 . A A . 18 GLN H 1 1 13 4313 1 1 18 GLN HA H 7.179 4.432 3.389 1.00 . A A . 18 GLN HA 1 1 13 4314 1 1 18 GLN HB2 H 7.803 2.470 4.773 1.00 . A A . 18 GLN HB2 1 1 13 4315 1 1 18 GLN HB3 H 8.933 1.947 3.486 1.00 . A A . 18 GLN HB3 1 1 13 4316 1 1 18 GLN HE21 H 10.325 1.366 5.377 1.00 . A A . 18 GLN HE21 1 1 13 4317 1 1 18 GLN HE22 H 11.155 1.977 6.792 1.00 . A A . 18 GLN HE22 1 1 13 4318 1 1 18 GLN HG2 H 10.230 3.979 3.696 1.00 . A A . 18 GLN HG2 1 1 13 4319 1 1 18 GLN HG3 H 8.994 4.708 4.739 1.00 . A A . 18 GLN HG3 1 1 13 4320 1 1 18 GLN N N 6.437 2.766 2.449 1.00 . A A . 18 GLN N 1 1 13 4321 1 1 18 GLN NE2 N 10.591 2.131 5.972 1.00 . A A . 18 GLN NE2 1 1 13 4322 1 1 18 GLN O O 8.815 3.210 0.853 1.00 . A A . 18 GLN O 1 1 13 4323 1 1 18 GLN OE1 O 10.753 4.275 6.425 1.00 . A A . 18 GLN OE1 1 1 13 4324 1 1 19 HIS C C 11.436 5.096 1.131 1.00 . A A . 19 HIS C 1 1 13 4325 1 1 19 HIS CA C 10.067 5.850 1.061 1.00 . A A . 19 HIS CA 1 1 13 4326 1 1 19 HIS CB C 10.190 7.318 1.536 1.00 . A A . 19 HIS CB 1 1 13 4327 1 1 19 HIS CD2 C 12.024 8.094 3.145 1.00 . A A . 19 HIS CD2 1 1 13 4328 1 1 19 HIS CE1 C 11.306 7.202 5.046 1.00 . A A . 19 HIS CE1 1 1 13 4329 1 1 19 HIS CG C 10.819 7.495 2.906 1.00 . A A . 19 HIS CG 1 1 13 4330 1 1 19 HIS H H 8.334 5.853 2.335 1.00 . A A . 19 HIS H 1 1 13 4331 1 1 19 HIS HA H 9.802 5.870 0.002 1.00 . A A . 19 HIS HA 1 1 13 4332 1 1 19 HIS HB2 H 10.803 7.853 0.807 1.00 . A A . 19 HIS HB2 1 1 13 4333 1 1 19 HIS HB3 H 9.209 7.798 1.524 1.00 . A A . 19 HIS HB3 1 1 13 4334 1 1 19 HIS HD1 H 9.519 6.440 4.246 1.00 . A A . 19 HIS HD1 1 1 13 4335 1 1 19 HIS HD2 H 12.657 8.548 2.390 1.00 . A A . 19 HIS HD2 1 1 13 4336 1 1 19 HIS HE1 H 11.271 6.829 6.070 1.00 . A A . 19 HIS HE1 1 1 13 4337 1 1 19 HIS HE2 H 13.165 8.204 4.954 1.00 . A A . 19 HIS HE2 1 1 13 4338 1 1 19 HIS N N 8.919 5.251 1.778 1.00 . A A . 19 HIS N 1 1 13 4339 1 1 19 HIS ND1 N 10.371 6.967 4.105 1.00 . A A . 19 HIS ND1 1 1 13 4340 1 1 19 HIS NE2 N 12.313 7.911 4.488 1.00 . A A . 19 HIS NE2 1 1 13 4341 1 1 19 HIS O O 12.479 5.749 1.147 1.00 . A A . 19 HIS O 1 1 13 4342 1 1 20 ALA C C 12.394 1.597 0.513 1.00 . A A . 20 ALA C 1 1 13 4343 1 1 20 ALA CA C 12.638 2.890 1.330 1.00 . A A . 20 ALA CA 1 1 13 4344 1 1 20 ALA CB C 12.862 2.573 2.816 1.00 . A A . 20 ALA CB 1 1 13 4345 1 1 20 ALA H H 10.592 3.270 1.063 1.00 . A A . 20 ALA H 1 1 13 4346 1 1 20 ALA HA H 13.513 3.406 0.933 1.00 . A A . 20 ALA HA 1 1 13 4347 1 1 20 ALA HB1 H 12.028 1.980 3.197 1.00 . A A . 20 ALA HB1 1 1 13 4348 1 1 20 ALA HB2 H 13.779 1.999 2.948 1.00 . A A . 20 ALA HB2 1 1 13 4349 1 1 20 ALA HB3 H 12.942 3.499 3.386 1.00 . A A . 20 ALA HB3 1 1 13 4350 1 1 20 ALA N N 11.465 3.766 1.232 1.00 . A A . 20 ALA N 1 1 13 4351 1 1 20 ALA O O 11.237 1.214 0.357 1.00 . A A . 20 ALA O 1 1 13 4352 1 1 21 PRO C C 12.692 -1.508 -0.156 1.00 . A A . 21 PRO C 1 1 13 4353 1 1 21 PRO CA C 13.239 -0.263 -0.871 1.00 . A A . 21 PRO CA 1 1 13 4354 1 1 21 PRO CB C 14.618 -0.544 -1.478 1.00 . A A . 21 PRO CB 1 1 13 4355 1 1 21 PRO CD C 14.851 1.196 0.153 1.00 . A A . 21 PRO CD 1 1 13 4356 1 1 21 PRO CG C 15.584 -0.020 -0.416 1.00 . A A . 21 PRO CG 1 1 13 4357 1 1 21 PRO HA H 12.542 -0.011 -1.672 1.00 . A A . 21 PRO HA 1 1 13 4358 1 1 21 PRO HB2 H 14.773 -1.606 -1.675 1.00 . A A . 21 PRO HB2 1 1 13 4359 1 1 21 PRO HB3 H 14.736 0.030 -2.398 1.00 . A A . 21 PRO HB3 1 1 13 4360 1 1 21 PRO HD2 H 15.128 1.343 1.196 1.00 . A A . 21 PRO HD2 1 1 13 4361 1 1 21 PRO HD3 H 15.099 2.082 -0.433 1.00 . A A . 21 PRO HD3 1 1 13 4362 1 1 21 PRO HG2 H 15.711 -0.772 0.365 1.00 . A A . 21 PRO HG2 1 1 13 4363 1 1 21 PRO HG3 H 16.549 0.252 -0.844 1.00 . A A . 21 PRO HG3 1 1 13 4364 1 1 21 PRO N N 13.433 0.900 0.007 1.00 . A A . 21 PRO N 1 1 13 4365 1 1 21 PRO O O 12.102 -2.370 -0.800 1.00 . A A . 21 PRO O 1 1 13 4366 1 1 22 LEU C C 12.224 -2.091 3.492 1.00 . A A . 22 LEU C 1 1 13 4367 1 1 22 LEU CA C 12.326 -2.620 2.050 1.00 . A A . 22 LEU CA 1 1 13 4368 1 1 22 LEU CB C 13.119 -3.940 1.932 1.00 . A A . 22 LEU CB 1 1 13 4369 1 1 22 LEU CD1 C 15.008 -4.583 3.508 1.00 . A A . 22 LEU CD1 1 1 13 4370 1 1 22 LEU CD2 C 15.457 -4.365 1.074 1.00 . A A . 22 LEU CD2 1 1 13 4371 1 1 22 LEU CG C 14.629 -3.824 2.241 1.00 . A A . 22 LEU CG 1 1 13 4372 1 1 22 LEU H H 13.351 -0.837 1.625 1.00 . A A . 22 LEU H 1 1 13 4373 1 1 22 LEU HA H 11.310 -2.803 1.714 1.00 . A A . 22 LEU HA 1 1 13 4374 1 1 22 LEU HB2 H 12.667 -4.692 2.582 1.00 . A A . 22 LEU HB2 1 1 13 4375 1 1 22 LEU HB3 H 12.984 -4.313 0.916 1.00 . A A . 22 LEU HB3 1 1 13 4376 1 1 22 LEU HD11 H 14.762 -5.643 3.403 1.00 . A A . 22 LEU HD11 1 1 13 4377 1 1 22 LEU HD12 H 14.451 -4.196 4.360 1.00 . A A . 22 LEU HD12 1 1 13 4378 1 1 22 LEU HD13 H 16.074 -4.484 3.704 1.00 . A A . 22 LEU HD13 1 1 13 4379 1 1 22 LEU HD21 H 15.201 -5.412 0.904 1.00 . A A . 22 LEU HD21 1 1 13 4380 1 1 22 LEU HD22 H 16.518 -4.288 1.303 1.00 . A A . 22 LEU HD22 1 1 13 4381 1 1 22 LEU HD23 H 15.238 -3.792 0.174 1.00 . A A . 22 LEU HD23 1 1 13 4382 1 1 22 LEU HG H 14.904 -2.779 2.383 1.00 . A A . 22 LEU HG 1 1 13 4383 1 1 22 LEU N N 12.889 -1.603 1.162 1.00 . A A . 22 LEU N 1 1 13 4384 1 1 22 LEU O O 12.526 -0.918 3.741 1.00 . A A . 22 LEU O 1 1 13 4385 1 1 23 ALA C C 11.691 -3.833 6.792 1.00 . A A . 23 ALA C 1 1 13 4386 1 1 23 ALA CA C 11.657 -2.609 5.851 1.00 . A A . 23 ALA CA 1 1 13 4387 1 1 23 ALA CB C 10.369 -1.809 6.072 1.00 . A A . 23 ALA CB 1 1 13 4388 1 1 23 ALA H H 11.550 -3.879 4.141 1.00 . A A . 23 ALA H 1 1 13 4389 1 1 23 ALA HA H 12.505 -1.984 6.131 1.00 . A A . 23 ALA HA 1 1 13 4390 1 1 23 ALA HB1 H 9.506 -2.429 5.825 1.00 . A A . 23 ALA HB1 1 1 13 4391 1 1 23 ALA HB2 H 10.304 -1.515 7.121 1.00 . A A . 23 ALA HB2 1 1 13 4392 1 1 23 ALA HB3 H 10.372 -0.917 5.450 1.00 . A A . 23 ALA HB3 1 1 13 4393 1 1 23 ALA N N 11.757 -2.928 4.420 1.00 . A A . 23 ALA N 1 1 13 4394 1 1 23 ALA O O 11.666 -3.643 8.006 1.00 . A A . 23 ALA O 1 1 13 4395 1 1 24 ASP C C 12.748 -7.197 5.895 1.00 . A A . 24 ASP C 1 1 13 4396 1 1 24 ASP CA C 11.812 -6.381 6.815 1.00 . A A . 24 ASP CA 1 1 13 4397 1 1 24 ASP CB C 10.370 -6.951 6.892 1.00 . A A . 24 ASP CB 1 1 13 4398 1 1 24 ASP CG C 10.129 -8.115 7.879 1.00 . A A . 24 ASP CG 1 1 13 4399 1 1 24 ASP H H 11.927 -5.160 5.238 1.00 . A A . 24 ASP H 1 1 13 4400 1 1 24 ASP HA H 12.243 -6.346 7.817 1.00 . A A . 24 ASP HA 1 1 13 4401 1 1 24 ASP HB2 H 9.700 -6.145 7.202 1.00 . A A . 24 ASP HB2 1 1 13 4402 1 1 24 ASP HB3 H 10.054 -7.254 5.891 1.00 . A A . 24 ASP HB3 1 1 13 4403 1 1 24 ASP N N 11.747 -5.037 6.225 1.00 . A A . 24 ASP N 1 1 13 4404 1 1 24 ASP O O 12.721 -6.887 4.674 1.00 . A A . 24 ASP O 1 1 13 4405 1 1 24 ASP OXT O 13.580 -7.975 6.410 1.00 . A A . 24 ASP OXT 1 1 13 4406 1 1 24 ASP OD1 O 10.491 -7.974 9.072 1.00 . A A . 24 ASP OD1 1 1 13 4407 1 1 24 ASP OD2 O 9.439 -9.083 7.476 1.00 . A A . 24 ASP OD2 1 1 14 4408 1 1 1 GLY C C 2.618 0.528 -2.918 1.00 . A A . 1 GLY C 1 1 14 4409 1 1 1 GLY CA C 2.193 1.605 -1.908 1.00 . A A . 1 GLY CA 1 1 14 4410 1 1 1 GLY H1 H 2.011 0.486 -0.116 1.00 . A A . 1 GLY H1 1 1 14 4411 1 1 1 GLY HA2 H 1.583 2.356 -2.412 1.00 . A A . 1 GLY HA2 1 1 14 4412 1 1 1 GLY HA3 H 3.111 2.078 -1.570 1.00 . A A . 1 GLY HA3 1 1 14 4413 1 1 1 GLY N N 1.493 1.104 -0.718 1.00 . A A . 1 GLY N 1 1 14 4414 1 1 1 GLY O O 2.356 -0.649 -2.698 1.00 . A A . 1 GLY O 1 1 14 4415 1 1 2 PRO C C 4.949 -0.907 -4.729 1.00 . A A . 2 PRO C 1 1 14 4416 1 1 2 PRO CA C 3.698 -0.064 -5.092 1.00 . A A . 2 PRO CA 1 1 14 4417 1 1 2 PRO CB C 3.884 0.836 -6.321 1.00 . A A . 2 PRO CB 1 1 14 4418 1 1 2 PRO CD C 3.604 2.248 -4.416 1.00 . A A . 2 PRO CD 1 1 14 4419 1 1 2 PRO CG C 4.405 2.139 -5.714 1.00 . A A . 2 PRO CG 1 1 14 4420 1 1 2 PRO HA H 2.889 -0.764 -5.300 1.00 . A A . 2 PRO HA 1 1 14 4421 1 1 2 PRO HB2 H 4.567 0.416 -7.059 1.00 . A A . 2 PRO HB2 1 1 14 4422 1 1 2 PRO HB3 H 2.909 1.014 -6.780 1.00 . A A . 2 PRO HB3 1 1 14 4423 1 1 2 PRO HD2 H 4.204 2.743 -3.652 1.00 . A A . 2 PRO HD2 1 1 14 4424 1 1 2 PRO HD3 H 2.685 2.812 -4.592 1.00 . A A . 2 PRO HD3 1 1 14 4425 1 1 2 PRO HG2 H 5.467 2.035 -5.481 1.00 . A A . 2 PRO HG2 1 1 14 4426 1 1 2 PRO HG3 H 4.236 2.990 -6.375 1.00 . A A . 2 PRO HG3 1 1 14 4427 1 1 2 PRO N N 3.281 0.878 -4.035 1.00 . A A . 2 PRO N 1 1 14 4428 1 1 2 PRO O O 5.903 -0.999 -5.500 1.00 . A A . 2 PRO O 1 1 14 4429 1 1 3 THR C C 5.428 -3.627 -2.356 1.00 . A A . 3 THR C 1 1 14 4430 1 1 3 THR CA C 6.008 -2.282 -2.885 1.00 . A A . 3 THR CA 1 1 14 4431 1 1 3 THR CB C 6.545 -1.306 -1.810 1.00 . A A . 3 THR CB 1 1 14 4432 1 1 3 THR CG2 C 7.417 -1.836 -0.684 1.00 . A A . 3 THR CG2 1 1 14 4433 1 1 3 THR H H 4.063 -1.479 -3.021 1.00 . A A . 3 THR H 1 1 14 4434 1 1 3 THR HA H 6.808 -2.502 -3.594 1.00 . A A . 3 THR HA 1 1 14 4435 1 1 3 THR HB H 5.699 -0.804 -1.357 1.00 . A A . 3 THR HB 1 1 14 4436 1 1 3 THR HG1 H 7.375 0.407 -1.756 1.00 . A A . 3 THR HG1 1 1 14 4437 1 1 3 THR HG21 H 7.609 -1.027 0.017 1.00 . A A . 3 THR HG21 1 1 14 4438 1 1 3 THR HG22 H 8.378 -2.178 -1.066 1.00 . A A . 3 THR HG22 1 1 14 4439 1 1 3 THR HG23 H 6.877 -2.620 -0.160 1.00 . A A . 3 THR HG23 1 1 14 4440 1 1 3 THR N N 4.922 -1.547 -3.561 1.00 . A A . 3 THR N 1 1 14 4441 1 1 3 THR O O 4.229 -3.858 -2.535 1.00 . A A . 3 THR O 1 1 14 4442 1 1 3 THR OG1 O 7.311 -0.293 -2.414 1.00 . A A . 3 THR OG1 1 1 14 4443 1 1 4 PRO C C 5.363 -6.005 0.198 1.00 . A A . 4 PRO C 1 1 14 4444 1 1 4 PRO CA C 5.655 -5.875 -1.320 1.00 . A A . 4 PRO CA 1 1 14 4445 1 1 4 PRO CB C 6.664 -6.943 -1.758 1.00 . A A . 4 PRO CB 1 1 14 4446 1 1 4 PRO CD C 7.600 -4.802 -2.233 1.00 . A A . 4 PRO CD 1 1 14 4447 1 1 4 PRO CG C 7.993 -6.198 -1.762 1.00 . A A . 4 PRO CG 1 1 14 4448 1 1 4 PRO HA H 4.715 -6.098 -1.827 1.00 . A A . 4 PRO HA 1 1 14 4449 1 1 4 PRO HB2 H 6.691 -7.800 -1.083 1.00 . A A . 4 PRO HB2 1 1 14 4450 1 1 4 PRO HB3 H 6.430 -7.270 -2.772 1.00 . A A . 4 PRO HB3 1 1 14 4451 1 1 4 PRO HD2 H 8.281 -4.078 -1.803 1.00 . A A . 4 PRO HD2 1 1 14 4452 1 1 4 PRO HD3 H 7.670 -4.757 -3.320 1.00 . A A . 4 PRO HD3 1 1 14 4453 1 1 4 PRO HG2 H 8.388 -6.144 -0.752 1.00 . A A . 4 PRO HG2 1 1 14 4454 1 1 4 PRO HG3 H 8.720 -6.661 -2.430 1.00 . A A . 4 PRO HG3 1 1 14 4455 1 1 4 PRO N N 6.212 -4.598 -1.824 1.00 . A A . 4 PRO N 1 1 14 4456 1 1 4 PRO O O 4.676 -6.953 0.570 1.00 . A A . 4 PRO O 1 1 14 4457 1 1 5 MET C C 4.330 -4.765 3.061 1.00 . A A . 5 MET C 1 1 14 4458 1 1 5 MET CA C 5.707 -5.257 2.552 1.00 . A A . 5 MET CA 1 1 14 4459 1 1 5 MET CB C 6.842 -4.513 3.283 1.00 . A A . 5 MET CB 1 1 14 4460 1 1 5 MET CE C 9.269 -4.159 1.148 1.00 . A A . 5 MET CE 1 1 14 4461 1 1 5 MET CG C 8.130 -5.334 3.428 1.00 . A A . 5 MET CG 1 1 14 4462 1 1 5 MET H H 6.404 -4.363 0.716 1.00 . A A . 5 MET H 1 1 14 4463 1 1 5 MET HA H 5.779 -6.313 2.820 1.00 . A A . 5 MET HA 1 1 14 4464 1 1 5 MET HB2 H 7.053 -3.573 2.779 1.00 . A A . 5 MET HB2 1 1 14 4465 1 1 5 MET HB3 H 6.518 -4.270 4.296 1.00 . A A . 5 MET HB3 1 1 14 4466 1 1 5 MET HE1 H 10.042 -4.221 0.381 1.00 . A A . 5 MET HE1 1 1 14 4467 1 1 5 MET HE2 H 8.334 -3.884 0.681 1.00 . A A . 5 MET HE2 1 1 14 4468 1 1 5 MET HE3 H 9.535 -3.407 1.889 1.00 . A A . 5 MET HE3 1 1 14 4469 1 1 5 MET HG2 H 8.801 -4.779 4.083 1.00 . A A . 5 MET HG2 1 1 14 4470 1 1 5 MET HG3 H 7.881 -6.262 3.944 1.00 . A A . 5 MET HG3 1 1 14 4471 1 1 5 MET N N 5.870 -5.132 1.080 1.00 . A A . 5 MET N 1 1 14 4472 1 1 5 MET O O 3.619 -4.047 2.363 1.00 . A A . 5 MET O 1 1 14 4473 1 1 5 MET SD S 9.059 -5.774 1.931 1.00 . A A . 5 MET SD 1 1 14 4474 1 1 6 VAL C C 2.497 -3.486 5.619 1.00 . A A . 6 VAL C 1 1 14 4475 1 1 6 VAL CA C 2.572 -4.791 4.801 1.00 . A A . 6 VAL CA 1 1 14 4476 1 1 6 VAL CB C 1.986 -6.010 5.544 1.00 . A A . 6 VAL CB 1 1 14 4477 1 1 6 VAL CG1 C 2.672 -6.324 6.878 1.00 . A A . 6 VAL CG1 1 1 14 4478 1 1 6 VAL CG2 C 0.479 -5.844 5.777 1.00 . A A . 6 VAL CG2 1 1 14 4479 1 1 6 VAL H H 4.577 -5.591 4.899 1.00 . A A . 6 VAL H 1 1 14 4480 1 1 6 VAL HA H 1.934 -4.653 3.929 1.00 . A A . 6 VAL HA 1 1 14 4481 1 1 6 VAL HB H 2.112 -6.883 4.901 1.00 . A A . 6 VAL HB 1 1 14 4482 1 1 6 VAL HG11 H 2.270 -7.250 7.287 1.00 . A A . 6 VAL HG11 1 1 14 4483 1 1 6 VAL HG12 H 3.745 -6.451 6.725 1.00 . A A . 6 VAL HG12 1 1 14 4484 1 1 6 VAL HG13 H 2.512 -5.518 7.593 1.00 . A A . 6 VAL HG13 1 1 14 4485 1 1 6 VAL HG21 H 0.070 -6.771 6.176 1.00 . A A . 6 VAL HG21 1 1 14 4486 1 1 6 VAL HG22 H 0.285 -5.038 6.484 1.00 . A A . 6 VAL HG22 1 1 14 4487 1 1 6 VAL HG23 H -0.021 -5.632 4.832 1.00 . A A . 6 VAL HG23 1 1 14 4488 1 1 6 VAL N N 3.931 -5.094 4.297 1.00 . A A . 6 VAL N 1 1 14 4489 1 1 6 VAL O O 3.351 -3.203 6.453 1.00 . A A . 6 VAL O 1 1 14 4490 1 1 7 GLY C C 1.651 -0.181 5.293 1.00 . A A . 7 GLY C 1 1 14 4491 1 1 7 GLY CA C 1.208 -1.405 6.108 1.00 . A A . 7 GLY CA 1 1 14 4492 1 1 7 GLY H H 0.815 -2.944 4.669 1.00 . A A . 7 GLY H 1 1 14 4493 1 1 7 GLY HA2 H 0.141 -1.303 6.304 1.00 . A A . 7 GLY HA2 1 1 14 4494 1 1 7 GLY HA3 H 1.735 -1.403 7.063 1.00 . A A . 7 GLY HA3 1 1 14 4495 1 1 7 GLY N N 1.442 -2.685 5.413 1.00 . A A . 7 GLY N 1 1 14 4496 1 1 7 GLY O O 1.891 -0.307 4.098 1.00 . A A . 7 GLY O 1 1 14 4497 1 1 8 LEU C C 1.285 2.915 4.262 1.00 . A A . 8 LEU C 1 1 14 4498 1 1 8 LEU CA C 2.146 2.335 5.407 1.00 . A A . 8 LEU CA 1 1 14 4499 1 1 8 LEU CB C 3.655 2.350 5.048 1.00 . A A . 8 LEU CB 1 1 14 4500 1 1 8 LEU CD1 C 4.009 4.887 5.060 1.00 . A A . 8 LEU CD1 1 1 14 4501 1 1 8 LEU CD2 C 4.599 3.549 7.082 1.00 . A A . 8 LEU CD2 1 1 14 4502 1 1 8 LEU CG C 4.503 3.531 5.556 1.00 . A A . 8 LEU CG 1 1 14 4503 1 1 8 LEU H H 1.525 0.963 6.910 1.00 . A A . 8 LEU H 1 1 14 4504 1 1 8 LEU HA H 1.993 3.025 6.237 1.00 . A A . 8 LEU HA 1 1 14 4505 1 1 8 LEU HB2 H 4.120 1.453 5.440 1.00 . A A . 8 LEU HB2 1 1 14 4506 1 1 8 LEU HB3 H 3.766 2.310 3.965 1.00 . A A . 8 LEU HB3 1 1 14 4507 1 1 8 LEU HD11 H 4.713 5.669 5.346 1.00 . A A . 8 LEU HD11 1 1 14 4508 1 1 8 LEU HD12 H 3.031 5.118 5.479 1.00 . A A . 8 LEU HD12 1 1 14 4509 1 1 8 LEU HD13 H 3.929 4.874 3.972 1.00 . A A . 8 LEU HD13 1 1 14 4510 1 1 8 LEU HD21 H 3.625 3.746 7.522 1.00 . A A . 8 LEU HD21 1 1 14 4511 1 1 8 LEU HD22 H 5.293 4.323 7.403 1.00 . A A . 8 LEU HD22 1 1 14 4512 1 1 8 LEU HD23 H 4.963 2.584 7.430 1.00 . A A . 8 LEU HD23 1 1 14 4513 1 1 8 LEU HG H 5.513 3.395 5.171 1.00 . A A . 8 LEU HG 1 1 14 4514 1 1 8 LEU N N 1.753 0.998 5.930 1.00 . A A . 8 LEU N 1 1 14 4515 1 1 8 LEU O O 0.839 4.056 4.361 1.00 . A A . 8 LEU O 1 1 14 4516 1 1 9 ASP C C -1.270 2.769 2.727 1.00 . A A . 9 ASP C 1 1 14 4517 1 1 9 ASP CA C 0.096 2.409 2.121 1.00 . A A . 9 ASP CA 1 1 14 4518 1 1 9 ASP CB C 0.027 1.180 1.187 1.00 . A A . 9 ASP CB 1 1 14 4519 1 1 9 ASP CG C 0.298 1.524 -0.284 1.00 . A A . 9 ASP CG 1 1 14 4520 1 1 9 ASP H H 1.389 1.193 3.291 1.00 . A A . 9 ASP H 1 1 14 4521 1 1 9 ASP HA H 0.450 3.275 1.572 1.00 . A A . 9 ASP HA 1 1 14 4522 1 1 9 ASP HB2 H 0.742 0.424 1.514 1.00 . A A . 9 ASP HB2 1 1 14 4523 1 1 9 ASP HB3 H -0.955 0.710 1.274 1.00 . A A . 9 ASP HB3 1 1 14 4524 1 1 9 ASP N N 1.051 2.141 3.201 1.00 . A A . 9 ASP N 1 1 14 4525 1 1 9 ASP O O -1.862 1.954 3.427 1.00 . A A . 9 ASP O 1 1 14 4526 1 1 9 ASP OD1 O -0.708 1.333 -1.011 1.00 . A A . 9 ASP OD1 1 1 14 4527 1 1 10 SER C C -3.897 4.169 3.944 1.00 . A A . 10 SER C 1 1 14 4528 1 1 10 SER CA C -2.511 4.736 3.588 1.00 . A A . 10 SER CA 1 1 14 4529 1 1 10 SER CB C -2.646 6.212 3.200 1.00 . A A . 10 SER CB 1 1 14 4530 1 1 10 SER H H -1.187 4.605 1.933 1.00 . A A . 10 SER H 1 1 14 4531 1 1 10 SER HA H -1.938 4.698 4.516 1.00 . A A . 10 SER HA 1 1 14 4532 1 1 10 SER HB2 H -3.282 6.313 2.319 1.00 . A A . 10 SER HB2 1 1 14 4533 1 1 10 SER HB3 H -3.098 6.764 4.025 1.00 . A A . 10 SER HB3 1 1 14 4534 1 1 10 SER HG H -0.717 6.335 3.492 1.00 . A A . 10 SER HG 1 1 14 4535 1 1 10 SER N N -1.722 4.017 2.561 1.00 . A A . 10 SER N 1 1 14 4536 1 1 10 SER O O -4.508 4.626 4.906 1.00 . A A . 10 SER O 1 1 14 4537 1 1 10 SER OG O -1.371 6.758 2.920 1.00 . A A . 10 SER OG 1 1 14 4538 1 1 11 VAL C C -4.877 0.795 3.081 1.00 . A A . 11 VAL C 1 1 14 4539 1 1 11 VAL CA C -5.336 2.141 3.650 1.00 . A A . 11 VAL CA 1 1 14 4540 1 1 11 VAL CB C -6.792 2.454 3.227 1.00 . A A . 11 VAL CB 1 1 14 4541 1 1 11 VAL CG1 C -7.744 1.343 3.687 1.00 . A A . 11 VAL CG1 1 1 14 4542 1 1 11 VAL CG2 C -7.318 3.775 3.799 1.00 . A A . 11 VAL CG2 1 1 14 4543 1 1 11 VAL H H -3.663 2.839 2.555 1.00 . A A . 11 VAL H 1 1 14 4544 1 1 11 VAL HA H -5.295 2.057 4.737 1.00 . A A . 11 VAL HA 1 1 14 4545 1 1 11 VAL HB H -6.842 2.522 2.140 1.00 . A A . 11 VAL HB 1 1 14 4546 1 1 11 VAL HG11 H -7.635 1.183 4.760 1.00 . A A . 11 VAL HG11 1 1 14 4547 1 1 11 VAL HG12 H -8.774 1.612 3.461 1.00 . A A . 11 VAL HG12 1 1 14 4548 1 1 11 VAL HG13 H -7.515 0.413 3.165 1.00 . A A . 11 VAL HG13 1 1 14 4549 1 1 11 VAL HG21 H -7.270 3.756 4.887 1.00 . A A . 11 VAL HG21 1 1 14 4550 1 1 11 VAL HG22 H -6.715 4.605 3.433 1.00 . A A . 11 VAL HG22 1 1 14 4551 1 1 11 VAL HG23 H -8.348 3.935 3.482 1.00 . A A . 11 VAL HG23 1 1 14 4552 1 1 11 VAL N N -4.369 3.163 3.205 1.00 . A A . 11 VAL N 1 1 14 4553 1 1 11 VAL O O -4.537 -0.116 3.829 1.00 . A A . 11 VAL O 1 1 14 4554 1 1 12 SER C C -4.498 -0.002 -0.568 1.00 . A A . 12 SER C 1 1 14 4555 1 1 12 SER CA C -4.301 -0.361 0.915 1.00 . A A . 12 SER CA 1 1 14 4556 1 1 12 SER CB C -4.947 -1.728 1.221 1.00 . A A . 12 SER CB 1 1 14 4557 1 1 12 SER H H -5.226 1.511 1.257 1.00 . A A . 12 SER H 1 1 14 4558 1 1 12 SER HA H -3.233 -0.450 1.120 1.00 . A A . 12 SER HA 1 1 14 4559 1 1 12 SER HB2 H -4.515 -2.473 0.551 1.00 . A A . 12 SER HB2 1 1 14 4560 1 1 12 SER HB3 H -4.732 -2.026 2.248 1.00 . A A . 12 SER HB3 1 1 14 4561 1 1 12 SER HG H -6.474 -1.344 0.127 1.00 . A A . 12 SER HG 1 1 14 4562 1 1 12 SER N N -4.856 0.713 1.746 1.00 . A A . 12 SER N 1 1 14 4563 1 1 12 SER O O -5.558 -0.280 -1.134 1.00 . A A . 12 SER O 1 1 14 4564 1 1 12 SER OG O -6.351 -1.692 1.025 1.00 . A A . 12 SER OG 1 1 14 4565 1 1 13 GLY C C -2.733 -0.541 -3.175 1.00 . A A . 13 GLY C 1 1 14 4566 1 1 13 GLY CA C -3.431 0.716 -2.663 1.00 . A A . 13 GLY CA 1 1 14 4567 1 1 13 GLY H H -2.667 0.897 -0.708 1.00 . A A . 13 GLY H 1 1 14 4568 1 1 13 GLY HA2 H -4.419 0.779 -3.118 1.00 . A A . 13 GLY HA2 1 1 14 4569 1 1 13 GLY HA3 H -2.841 1.584 -2.956 1.00 . A A . 13 GLY HA3 1 1 14 4570 1 1 13 GLY N N -3.523 0.657 -1.199 1.00 . A A . 13 GLY N 1 1 14 4571 1 1 13 GLY O O -3.236 -1.237 -4.051 1.00 . A A . 13 GLY O 1 1 14 4572 1 1 14 GLN C C -0.442 -2.344 -1.016 1.00 . A A . 14 GLN C 1 1 14 4573 1 1 14 GLN CA C -0.985 -2.169 -2.453 1.00 . A A . 14 GLN CA 1 1 14 4574 1 1 14 GLN CB C 0.066 -2.322 -3.579 1.00 . A A . 14 GLN CB 1 1 14 4575 1 1 14 GLN CD C -0.152 -4.641 -4.668 1.00 . A A . 14 GLN CD 1 1 14 4576 1 1 14 GLN CG C -0.399 -3.138 -4.796 1.00 . A A . 14 GLN CG 1 1 14 4577 1 1 14 GLN H H -1.250 -0.128 -1.923 1.00 . A A . 14 GLN H 1 1 14 4578 1 1 14 GLN HA H -1.755 -2.932 -2.588 1.00 . A A . 14 GLN HA 1 1 14 4579 1 1 14 GLN HB2 H 0.330 -1.329 -3.943 1.00 . A A . 14 GLN HB2 1 1 14 4580 1 1 14 GLN HB3 H 0.979 -2.769 -3.191 1.00 . A A . 14 GLN HB3 1 1 14 4581 1 1 14 GLN HE21 H 1.789 -4.461 -4.038 1.00 . A A . 14 GLN HE21 1 1 14 4582 1 1 14 GLN HE22 H 1.088 -6.076 -4.264 1.00 . A A . 14 GLN HE22 1 1 14 4583 1 1 14 GLN HG2 H -1.459 -2.957 -4.978 1.00 . A A . 14 GLN HG2 1 1 14 4584 1 1 14 GLN HG3 H 0.152 -2.789 -5.669 1.00 . A A . 14 GLN HG3 1 1 14 4585 1 1 14 GLN N N -1.602 -0.851 -2.547 1.00 . A A . 14 GLN N 1 1 14 4586 1 1 14 GLN NE2 N 1.040 -5.077 -4.318 1.00 . A A . 14 GLN NE2 1 1 14 4587 1 1 14 GLN O O -1.180 -2.784 -0.138 1.00 . A A . 14 GLN O 1 1 14 4588 1 1 14 GLN OE1 O -1.007 -5.467 -4.930 1.00 . A A . 14 GLN OE1 1 1 14 4589 1 1 15 TYR C C 2.951 -1.674 0.470 1.00 . A A . 15 TYR C 1 1 14 4590 1 1 15 TYR CA C 1.695 -2.553 0.250 1.00 . A A . 15 TYR CA 1 1 14 4591 1 1 15 TYR CB C 2.087 -3.958 -0.269 1.00 . A A . 15 TYR CB 1 1 14 4592 1 1 15 TYR CD1 C 0.467 -5.236 1.250 1.00 . A A . 15 TYR CD1 1 1 14 4593 1 1 15 TYR CD2 C 1.006 -6.131 -0.949 1.00 . A A . 15 TYR CD2 1 1 14 4594 1 1 15 TYR CE1 C -0.396 -6.326 1.483 1.00 . A A . 15 TYR CE1 1 1 14 4595 1 1 15 TYR CE2 C 0.151 -7.223 -0.724 1.00 . A A . 15 TYR CE2 1 1 14 4596 1 1 15 TYR CG C 1.152 -5.120 0.024 1.00 . A A . 15 TYR CG 1 1 14 4597 1 1 15 TYR CZ C -0.564 -7.311 0.490 1.00 . A A . 15 TYR CZ 1 1 14 4598 1 1 15 TYR H H 1.304 -1.523 -1.534 1.00 . A A . 15 TYR H 1 1 14 4599 1 1 15 TYR HA H 1.177 -2.642 1.200 1.00 . A A . 15 TYR HA 1 1 14 4600 1 1 15 TYR HB2 H 2.168 -3.887 -1.348 1.00 . A A . 15 TYR HB2 1 1 14 4601 1 1 15 TYR HB3 H 3.078 -4.233 0.072 1.00 . A A . 15 TYR HB3 1 1 14 4602 1 1 15 TYR HD1 H 0.597 -4.491 2.016 1.00 . A A . 15 TYR HD1 1 1 14 4603 1 1 15 TYR HD2 H 1.574 -6.070 -1.864 1.00 . A A . 15 TYR HD2 1 1 14 4604 1 1 15 TYR HE1 H -0.935 -6.420 2.412 1.00 . A A . 15 TYR HE1 1 1 14 4605 1 1 15 TYR HE2 H 0.051 -7.992 -1.474 1.00 . A A . 15 TYR HE2 1 1 14 4606 1 1 15 TYR HH H -1.424 -8.913 -0.077 1.00 . A A . 15 TYR HH 1 1 14 4607 1 1 15 TYR N N 0.815 -1.969 -0.764 1.00 . A A . 15 TYR N 1 1 14 4608 1 1 15 TYR O O 3.836 -1.646 -0.374 1.00 . A A . 15 TYR O 1 1 14 4609 1 1 15 TYR OH O -1.404 -8.358 0.701 1.00 . A A . 15 TYR OH 1 1 14 4610 1 1 16 TRP C C 4.815 0.896 1.233 1.00 . A A . 16 TRP C 1 1 14 4611 1 1 16 TRP CA C 4.244 -0.239 2.113 1.00 . A A . 16 TRP CA 1 1 14 4612 1 1 16 TRP CB C 5.257 -1.295 2.594 1.00 . A A . 16 TRP CB 1 1 14 4613 1 1 16 TRP CD1 C 7.698 -0.936 3.187 1.00 . A A . 16 TRP CD1 1 1 14 4614 1 1 16 TRP CD2 C 6.348 -0.724 4.965 1.00 . A A . 16 TRP CD2 1 1 14 4615 1 1 16 TRP CE2 C 7.682 -0.560 5.441 1.00 . A A . 16 TRP CE2 1 1 14 4616 1 1 16 TRP CE3 C 5.327 -0.708 5.938 1.00 . A A . 16 TRP CE3 1 1 14 4617 1 1 16 TRP CG C 6.386 -0.930 3.518 1.00 . A A . 16 TRP CG 1 1 14 4618 1 1 16 TRP CH2 C 6.927 -0.253 7.724 1.00 . A A . 16 TRP CH2 1 1 14 4619 1 1 16 TRP CZ2 C 7.976 -0.300 6.790 1.00 . A A . 16 TRP CZ2 1 1 14 4620 1 1 16 TRP CZ3 C 5.605 -0.464 7.296 1.00 . A A . 16 TRP CZ3 1 1 14 4621 1 1 16 TRP H H 2.301 -1.058 2.267 1.00 . A A . 16 TRP H 1 1 14 4622 1 1 16 TRP HA H 3.938 0.263 3.026 1.00 . A A . 16 TRP HA 1 1 14 4623 1 1 16 TRP HB2 H 4.684 -2.016 3.168 1.00 . A A . 16 TRP HB2 1 1 14 4624 1 1 16 TRP HB3 H 5.663 -1.817 1.729 1.00 . A A . 16 TRP HB3 1 1 14 4625 1 1 16 TRP HD1 H 8.079 -1.140 2.194 1.00 . A A . 16 TRP HD1 1 1 14 4626 1 1 16 TRP HE1 H 9.473 -0.870 4.331 1.00 . A A . 16 TRP HE1 1 1 14 4627 1 1 16 TRP HE3 H 4.320 -0.931 5.625 1.00 . A A . 16 TRP HE3 1 1 14 4628 1 1 16 TRP HH2 H 7.138 -0.123 8.776 1.00 . A A . 16 TRP HH2 1 1 14 4629 1 1 16 TRP HZ2 H 8.998 -0.207 7.121 1.00 . A A . 16 TRP HZ2 1 1 14 4630 1 1 16 TRP HZ3 H 4.803 -0.494 8.021 1.00 . A A . 16 TRP HZ3 1 1 14 4631 1 1 16 TRP N N 3.047 -0.947 1.594 1.00 . A A . 16 TRP N 1 1 14 4632 1 1 16 TRP NE1 N 8.466 -0.760 4.324 1.00 . A A . 16 TRP NE1 1 1 14 4633 1 1 16 TRP O O 5.888 0.787 0.646 1.00 . A A . 16 TRP O 1 1 14 4634 1 1 17 ASP C C 5.900 3.944 1.492 1.00 . A A . 17 ASP C 1 1 14 4635 1 1 17 ASP CA C 4.635 3.390 0.771 1.00 . A A . 17 ASP CA 1 1 14 4636 1 1 17 ASP CB C 3.465 4.402 0.842 1.00 . A A . 17 ASP CB 1 1 14 4637 1 1 17 ASP CG C 2.612 4.416 -0.425 1.00 . A A . 17 ASP CG 1 1 14 4638 1 1 17 ASP H H 3.257 2.063 1.716 1.00 . A A . 17 ASP H 1 1 14 4639 1 1 17 ASP HA H 4.925 3.287 -0.275 1.00 . A A . 17 ASP HA 1 1 14 4640 1 1 17 ASP HB2 H 2.845 4.181 1.713 1.00 . A A . 17 ASP HB2 1 1 14 4641 1 1 17 ASP HB3 H 3.833 5.419 0.967 1.00 . A A . 17 ASP HB3 1 1 14 4642 1 1 17 ASP N N 4.156 2.067 1.260 1.00 . A A . 17 ASP N 1 1 14 4643 1 1 17 ASP O O 6.156 5.150 1.546 1.00 . A A . 17 ASP O 1 1 14 4644 1 1 17 ASP OD1 O 3.187 4.537 -1.528 1.00 . A A . 17 ASP OD1 1 1 14 4645 1 1 17 ASP OD2 O 1.381 4.254 -0.280 1.00 . A A . 17 ASP OD2 1 1 14 4646 1 1 18 GLN C C 9.036 3.943 1.893 1.00 . A A . 18 GLN C 1 1 14 4647 1 1 18 GLN CA C 7.905 3.515 2.842 1.00 . A A . 18 GLN CA 1 1 14 4648 1 1 18 GLN CB C 8.358 2.363 3.742 1.00 . A A . 18 GLN CB 1 1 14 4649 1 1 18 GLN CD C 9.027 3.821 5.704 1.00 . A A . 18 GLN CD 1 1 14 4650 1 1 18 GLN CG C 9.460 2.720 4.749 1.00 . A A . 18 GLN CG 1 1 14 4651 1 1 18 GLN H H 6.577 2.108 1.901 1.00 . A A . 18 GLN H 1 1 14 4652 1 1 18 GLN HA H 7.623 4.367 3.462 1.00 . A A . 18 GLN HA 1 1 14 4653 1 1 18 GLN HB2 H 7.492 1.998 4.296 1.00 . A A . 18 GLN HB2 1 1 14 4654 1 1 18 GLN HB3 H 8.728 1.569 3.095 1.00 . A A . 18 GLN HB3 1 1 14 4655 1 1 18 GLN HE21 H 7.873 2.588 6.822 1.00 . A A . 18 GLN HE21 1 1 14 4656 1 1 18 GLN HE22 H 7.919 4.290 7.281 1.00 . A A . 18 GLN HE22 1 1 14 4657 1 1 18 GLN HG2 H 9.719 1.828 5.319 1.00 . A A . 18 GLN HG2 1 1 14 4658 1 1 18 GLN HG3 H 10.354 3.042 4.217 1.00 . A A . 18 GLN HG3 1 1 14 4659 1 1 18 GLN N N 6.714 3.090 2.113 1.00 . A A . 18 GLN N 1 1 14 4660 1 1 18 GLN NE2 N 8.222 3.530 6.701 1.00 . A A . 18 GLN NE2 1 1 14 4661 1 1 18 GLN O O 9.354 3.278 0.913 1.00 . A A . 18 GLN O 1 1 14 4662 1 1 18 GLN OE1 O 9.403 4.977 5.539 1.00 . A A . 18 GLN OE1 1 1 14 4663 1 1 19 HIS C C 12.212 4.619 1.715 1.00 . A A . 19 HIS C 1 1 14 4664 1 1 19 HIS CA C 10.956 5.523 1.594 1.00 . A A . 19 HIS CA 1 1 14 4665 1 1 19 HIS CB C 11.203 6.972 2.064 1.00 . A A . 19 HIS CB 1 1 14 4666 1 1 19 HIS CD2 C 13.123 7.554 3.642 1.00 . A A . 19 HIS CD2 1 1 14 4667 1 1 19 HIS CE1 C 12.254 6.952 5.587 1.00 . A A . 19 HIS CE1 1 1 14 4668 1 1 19 HIS CG C 11.849 7.109 3.426 1.00 . A A . 19 HIS CG 1 1 14 4669 1 1 19 HIS H H 9.367 5.497 3.061 1.00 . A A . 19 HIS H 1 1 14 4670 1 1 19 HIS HA H 10.737 5.564 0.525 1.00 . A A . 19 HIS HA 1 1 14 4671 1 1 19 HIS HB2 H 11.856 7.452 1.331 1.00 . A A . 19 HIS HB2 1 1 14 4672 1 1 19 HIS HB3 H 10.261 7.523 2.055 1.00 . A A . 19 HIS HB3 1 1 14 4673 1 1 19 HIS HD1 H 10.410 6.294 4.827 1.00 . A A . 19 HIS HD1 1 1 14 4674 1 1 19 HIS HD2 H 13.815 7.863 2.867 1.00 . A A . 19 HIS HD2 1 1 14 4675 1 1 19 HIS HE1 H 12.132 6.703 6.637 1.00 . A A . 19 HIS HE1 1 1 14 4676 1 1 19 HIS HE2 H 14.247 7.653 5.456 1.00 . A A . 19 HIS HE2 1 1 14 4677 1 1 19 HIS N N 9.746 5.010 2.266 1.00 . A A . 19 HIS N 1 1 14 4678 1 1 19 HIS ND1 N 11.313 6.741 4.648 1.00 . A A . 19 HIS ND1 1 1 14 4679 1 1 19 HIS NE2 N 13.364 7.449 5.000 1.00 . A A . 19 HIS NE2 1 1 14 4680 1 1 19 HIS O O 13.330 5.134 1.750 1.00 . A A . 19 HIS O 1 1 14 4681 1 1 20 ALA C C 12.720 1.025 1.156 1.00 . A A . 20 ALA C 1 1 14 4682 1 1 20 ALA CA C 13.095 2.289 1.964 1.00 . A A . 20 ALA CA 1 1 14 4683 1 1 20 ALA CB C 13.274 1.970 3.455 1.00 . A A . 20 ALA CB 1 1 14 4684 1 1 20 ALA H H 11.113 2.944 1.641 1.00 . A A . 20 ALA H 1 1 14 4685 1 1 20 ALA HA H 14.026 2.696 1.569 1.00 . A A . 20 ALA HA 1 1 14 4686 1 1 20 ALA HB1 H 13.499 2.883 4.008 1.00 . A A . 20 ALA HB1 1 1 14 4687 1 1 20 ALA HB2 H 12.362 1.517 3.850 1.00 . A A . 20 ALA HB2 1 1 14 4688 1 1 20 ALA HB3 H 14.091 1.262 3.593 1.00 . A A . 20 ALA HB3 1 1 14 4689 1 1 20 ALA N N 12.044 3.302 1.839 1.00 . A A . 20 ALA N 1 1 14 4690 1 1 20 ALA O O 11.530 0.765 0.991 1.00 . A A . 20 ALA O 1 1 14 4691 1 1 21 PRO C C 12.812 -2.115 0.383 1.00 . A A . 21 PRO C 1 1 14 4692 1 1 21 PRO CA C 13.421 -0.866 -0.277 1.00 . A A . 21 PRO CA 1 1 14 4693 1 1 21 PRO CB C 14.782 -1.189 -0.908 1.00 . A A . 21 PRO CB 1 1 14 4694 1 1 21 PRO CD C 15.128 0.419 0.823 1.00 . A A . 21 PRO CD 1 1 14 4695 1 1 21 PRO CG C 15.778 -0.810 0.188 1.00 . A A . 21 PRO CG 1 1 14 4696 1 1 21 PRO HA H 12.734 -0.537 -1.057 1.00 . A A . 21 PRO HA 1 1 14 4697 1 1 21 PRO HB2 H 14.874 -2.237 -1.193 1.00 . A A . 21 PRO HB2 1 1 14 4698 1 1 21 PRO HB3 H 14.941 -0.551 -1.778 1.00 . A A . 21 PRO HB3 1 1 14 4699 1 1 21 PRO HD2 H 15.404 0.486 1.875 1.00 . A A . 21 PRO HD2 1 1 14 4700 1 1 21 PRO HD3 H 15.441 1.317 0.288 1.00 . A A . 21 PRO HD3 1 1 14 4701 1 1 21 PRO HG2 H 15.840 -1.614 0.923 1.00 . A A . 21 PRO HG2 1 1 14 4702 1 1 21 PRO HG3 H 16.765 -0.584 -0.217 1.00 . A A . 21 PRO HG3 1 1 14 4703 1 1 21 PRO N N 13.693 0.237 0.654 1.00 . A A . 21 PRO N 1 1 14 4704 1 1 21 PRO O O 12.104 -2.865 -0.280 1.00 . A A . 21 PRO O 1 1 14 4705 1 1 22 LEU C C 12.371 -2.784 3.963 1.00 . A A . 22 LEU C 1 1 14 4706 1 1 22 LEU CA C 12.585 -3.377 2.554 1.00 . A A . 22 LEU CA 1 1 14 4707 1 1 22 LEU CB C 13.531 -4.600 2.572 1.00 . A A . 22 LEU CB 1 1 14 4708 1 1 22 LEU CD1 C 14.731 -5.192 0.415 1.00 . A A . 22 LEU CD1 1 1 14 4709 1 1 22 LEU CD2 C 13.479 -6.944 1.619 1.00 . A A . 22 LEU CD2 1 1 14 4710 1 1 22 LEU CG C 13.498 -5.453 1.286 1.00 . A A . 22 LEU CG 1 1 14 4711 1 1 22 LEU H H 13.605 -1.600 2.145 1.00 . A A . 22 LEU H 1 1 14 4712 1 1 22 LEU HA H 11.615 -3.711 2.198 1.00 . A A . 22 LEU HA 1 1 14 4713 1 1 22 LEU HB2 H 14.551 -4.289 2.796 1.00 . A A . 22 LEU HB2 1 1 14 4714 1 1 22 LEU HB3 H 13.223 -5.249 3.390 1.00 . A A . 22 LEU HB3 1 1 14 4715 1 1 22 LEU HD11 H 14.812 -4.129 0.207 1.00 . A A . 22 LEU HD11 1 1 14 4716 1 1 22 LEU HD12 H 14.633 -5.737 -0.524 1.00 . A A . 22 LEU HD12 1 1 14 4717 1 1 22 LEU HD13 H 15.625 -5.530 0.941 1.00 . A A . 22 LEU HD13 1 1 14 4718 1 1 22 LEU HD21 H 14.345 -7.202 2.229 1.00 . A A . 22 LEU HD21 1 1 14 4719 1 1 22 LEU HD22 H 13.467 -7.541 0.708 1.00 . A A . 22 LEU HD22 1 1 14 4720 1 1 22 LEU HD23 H 12.582 -7.169 2.202 1.00 . A A . 22 LEU HD23 1 1 14 4721 1 1 22 LEU HG H 12.599 -5.235 0.710 1.00 . A A . 22 LEU HG 1 1 14 4722 1 1 22 LEU N N 13.102 -2.329 1.668 1.00 . A A . 22 LEU N 1 1 14 4723 1 1 22 LEU O O 12.570 -1.579 4.165 1.00 . A A . 22 LEU O 1 1 14 4724 1 1 23 ALA C C 12.166 -4.560 7.158 1.00 . A A . 23 ALA C 1 1 14 4725 1 1 23 ALA CA C 11.893 -3.290 6.347 1.00 . A A . 23 ALA CA 1 1 14 4726 1 1 23 ALA CB C 10.521 -2.692 6.678 1.00 . A A . 23 ALA CB 1 1 14 4727 1 1 23 ALA H H 11.888 -4.601 4.701 1.00 . A A . 23 ALA H 1 1 14 4728 1 1 23 ALA HA H 12.671 -2.569 6.596 1.00 . A A . 23 ALA HA 1 1 14 4729 1 1 23 ALA HB1 H 10.451 -2.526 7.753 1.00 . A A . 23 ALA HB1 1 1 14 4730 1 1 23 ALA HB2 H 10.407 -1.748 6.152 1.00 . A A . 23 ALA HB2 1 1 14 4731 1 1 23 ALA HB3 H 9.723 -3.378 6.377 1.00 . A A . 23 ALA HB3 1 1 14 4732 1 1 23 ALA N N 11.954 -3.609 4.921 1.00 . A A . 23 ALA N 1 1 14 4733 1 1 23 ALA O O 13.124 -4.607 7.931 1.00 . A A . 23 ALA O 1 1 14 4734 1 1 24 ASP C C 12.623 -7.567 6.256 1.00 . A A . 24 ASP C 1 1 14 4735 1 1 24 ASP CA C 11.514 -6.987 7.164 1.00 . A A . 24 ASP CA 1 1 14 4736 1 1 24 ASP CB C 10.160 -7.713 6.938 1.00 . A A . 24 ASP CB 1 1 14 4737 1 1 24 ASP CG C 8.907 -6.893 7.326 1.00 . A A . 24 ASP CG 1 1 14 4738 1 1 24 ASP H H 10.482 -5.361 6.374 1.00 . A A . 24 ASP H 1 1 14 4739 1 1 24 ASP HA H 11.823 -7.134 8.198 1.00 . A A . 24 ASP HA 1 1 14 4740 1 1 24 ASP HB2 H 10.072 -7.972 5.880 1.00 . A A . 24 ASP HB2 1 1 14 4741 1 1 24 ASP HB3 H 10.170 -8.651 7.498 1.00 . A A . 24 ASP HB3 1 1 14 4742 1 1 24 ASP N N 11.309 -5.555 6.930 1.00 . A A . 24 ASP N 1 1 14 4743 1 1 24 ASP O O 13.271 -8.549 6.691 1.00 . A A . 24 ASP O 1 1 14 4744 1 1 24 ASP OXT O 12.819 -7.013 5.145 1.00 . A A . 24 ASP OXT 1 1 14 4745 1 1 24 ASP OD1 O 8.480 -6.057 6.489 1.00 . A A . 24 ASP OD1 1 1 14 4746 1 1 24 ASP OD2 O 8.376 -7.096 8.446 1.00 . A A . 24 ASP OD2 1 1 15 4747 1 1 1 GLY C C 1.937 -0.236 -2.372 1.00 . A A . 1 GLY C 1 1 15 4748 1 1 1 GLY CA C 1.424 0.819 -1.379 1.00 . A A . 1 GLY CA 1 1 15 4749 1 1 1 GLY H1 H 1.194 -0.517 0.258 1.00 . A A . 1 GLY H1 1 1 15 4750 1 1 1 GLY HA2 H 0.748 1.500 -1.892 1.00 . A A . 1 GLY HA2 1 1 15 4751 1 1 1 GLY HA3 H 2.306 1.375 -1.084 1.00 . A A . 1 GLY HA3 1 1 15 4752 1 1 1 GLY N N 0.784 0.306 -0.156 1.00 . A A . 1 GLY N 1 1 15 4753 1 1 1 GLY O O 1.826 -1.430 -2.116 1.00 . A A . 1 GLY O 1 1 15 4754 1 1 2 PRO C C 4.311 -1.427 -4.343 1.00 . A A . 2 PRO C 1 1 15 4755 1 1 2 PRO CA C 2.917 -0.790 -4.589 1.00 . A A . 2 PRO CA 1 1 15 4756 1 1 2 PRO CB C 2.846 0.050 -5.876 1.00 . A A . 2 PRO CB 1 1 15 4757 1 1 2 PRO CD C 2.619 1.521 -4.004 1.00 . A A . 2 PRO CD 1 1 15 4758 1 1 2 PRO CG C 3.264 1.436 -5.390 1.00 . A A . 2 PRO CG 1 1 15 4759 1 1 2 PRO HA H 2.197 -1.604 -4.672 1.00 . A A . 2 PRO HA 1 1 15 4760 1 1 2 PRO HB2 H 3.492 -0.319 -6.676 1.00 . A A . 2 PRO HB2 1 1 15 4761 1 1 2 PRO HB3 H 1.814 0.086 -6.231 1.00 . A A . 2 PRO HB3 1 1 15 4762 1 1 2 PRO HD2 H 3.241 2.114 -3.332 1.00 . A A . 2 PRO HD2 1 1 15 4763 1 1 2 PRO HD3 H 1.632 1.975 -4.098 1.00 . A A . 2 PRO HD3 1 1 15 4764 1 1 2 PRO HG2 H 4.350 1.483 -5.300 1.00 . A A . 2 PRO HG2 1 1 15 4765 1 1 2 PRO HG3 H 2.894 2.215 -6.057 1.00 . A A . 2 PRO HG3 1 1 15 4766 1 1 2 PRO N N 2.491 0.146 -3.538 1.00 . A A . 2 PRO N 1 1 15 4767 1 1 2 PRO O O 5.198 -1.313 -5.188 1.00 . A A . 2 PRO O 1 1 15 4768 1 1 3 THR C C 5.474 -4.213 -2.251 1.00 . A A . 3 THR C 1 1 15 4769 1 1 3 THR CA C 5.776 -2.815 -2.856 1.00 . A A . 3 THR CA 1 1 15 4770 1 1 3 THR CB C 6.626 -1.841 -2.003 1.00 . A A . 3 THR CB 1 1 15 4771 1 1 3 THR CG2 C 6.968 -2.188 -0.563 1.00 . A A . 3 THR CG2 1 1 15 4772 1 1 3 THR H H 3.765 -2.201 -2.533 1.00 . A A . 3 THR H 1 1 15 4773 1 1 3 THR HA H 6.325 -3.003 -3.779 1.00 . A A . 3 THR HA 1 1 15 4774 1 1 3 THR HB H 6.116 -0.877 -1.980 1.00 . A A . 3 THR HB 1 1 15 4775 1 1 3 THR HG1 H 8.297 -0.914 -2.168 1.00 . A A . 3 THR HG1 1 1 15 4776 1 1 3 THR HG21 H 6.068 -2.461 -0.024 1.00 . A A . 3 THR HG21 1 1 15 4777 1 1 3 THR HG22 H 7.411 -1.309 -0.100 1.00 . A A . 3 THR HG22 1 1 15 4778 1 1 3 THR HG23 H 7.686 -2.993 -0.520 1.00 . A A . 3 THR HG23 1 1 15 4779 1 1 3 THR N N 4.517 -2.116 -3.213 1.00 . A A . 3 THR N 1 1 15 4780 1 1 3 THR O O 4.308 -4.609 -2.259 1.00 . A A . 3 THR O 1 1 15 4781 1 1 3 THR OG1 O 7.866 -1.633 -2.635 1.00 . A A . 3 THR OG1 1 1 15 4782 1 1 4 PRO C C 5.893 -6.533 0.228 1.00 . A A . 4 PRO C 1 1 15 4783 1 1 4 PRO CA C 6.161 -6.400 -1.295 1.00 . A A . 4 PRO CA 1 1 15 4784 1 1 4 PRO CB C 7.346 -7.283 -1.715 1.00 . A A . 4 PRO CB 1 1 15 4785 1 1 4 PRO CD C 7.811 -5.039 -2.389 1.00 . A A . 4 PRO CD 1 1 15 4786 1 1 4 PRO CG C 8.502 -6.302 -1.879 1.00 . A A . 4 PRO CG 1 1 15 4787 1 1 4 PRO HA H 5.275 -6.805 -1.787 1.00 . A A . 4 PRO HA 1 1 15 4788 1 1 4 PRO HB2 H 7.583 -8.053 -0.979 1.00 . A A . 4 PRO HB2 1 1 15 4789 1 1 4 PRO HB3 H 7.130 -7.748 -2.678 1.00 . A A . 4 PRO HB3 1 1 15 4790 1 1 4 PRO HD2 H 8.379 -4.164 -2.084 1.00 . A A . 4 PRO HD2 1 1 15 4791 1 1 4 PRO HD3 H 7.765 -5.073 -3.479 1.00 . A A . 4 PRO HD3 1 1 15 4792 1 1 4 PRO HG2 H 8.960 -6.121 -0.910 1.00 . A A . 4 PRO HG2 1 1 15 4793 1 1 4 PRO HG3 H 9.247 -6.670 -2.587 1.00 . A A . 4 PRO HG3 1 1 15 4794 1 1 4 PRO N N 6.453 -5.062 -1.852 1.00 . A A . 4 PRO N 1 1 15 4795 1 1 4 PRO O O 5.485 -7.615 0.641 1.00 . A A . 4 PRO O 1 1 15 4796 1 1 5 MET C C 4.554 -5.387 3.075 1.00 . A A . 5 MET C 1 1 15 4797 1 1 5 MET CA C 5.978 -5.653 2.554 1.00 . A A . 5 MET CA 1 1 15 4798 1 1 5 MET CB C 6.989 -4.740 3.276 1.00 . A A . 5 MET CB 1 1 15 4799 1 1 5 MET CE C 9.471 -4.570 1.236 1.00 . A A . 5 MET CE 1 1 15 4800 1 1 5 MET CG C 8.308 -5.463 3.584 1.00 . A A . 5 MET CG 1 1 15 4801 1 1 5 MET H H 6.372 -4.627 0.691 1.00 . A A . 5 MET H 1 1 15 4802 1 1 5 MET HA H 6.210 -6.684 2.831 1.00 . A A . 5 MET HA 1 1 15 4803 1 1 5 MET HB2 H 7.183 -3.850 2.679 1.00 . A A . 5 MET HB2 1 1 15 4804 1 1 5 MET HB3 H 6.579 -4.407 4.231 1.00 . A A . 5 MET HB3 1 1 15 4805 1 1 5 MET HE1 H 9.545 -3.730 1.923 1.00 . A A . 5 MET HE1 1 1 15 4806 1 1 5 MET HE2 H 10.368 -4.641 0.620 1.00 . A A . 5 MET HE2 1 1 15 4807 1 1 5 MET HE3 H 8.608 -4.429 0.597 1.00 . A A . 5 MET HE3 1 1 15 4808 1 1 5 MET HG2 H 8.956 -4.779 4.132 1.00 . A A . 5 MET HG2 1 1 15 4809 1 1 5 MET HG3 H 8.099 -6.299 4.253 1.00 . A A . 5 MET HG3 1 1 15 4810 1 1 5 MET N N 6.108 -5.516 1.078 1.00 . A A . 5 MET N 1 1 15 4811 1 1 5 MET O O 3.717 -4.833 2.373 1.00 . A A . 5 MET O 1 1 15 4812 1 1 5 MET SD S 9.242 -6.099 2.164 1.00 . A A . 5 MET SD 1 1 15 4813 1 1 6 VAL C C 2.764 -4.577 5.998 1.00 . A A . 6 VAL C 1 1 15 4814 1 1 6 VAL CA C 2.883 -5.630 4.894 1.00 . A A . 6 VAL CA 1 1 15 4815 1 1 6 VAL CB C 2.368 -7.019 5.316 1.00 . A A . 6 VAL CB 1 1 15 4816 1 1 6 VAL CG1 C 3.134 -7.641 6.491 1.00 . A A . 6 VAL CG1 1 1 15 4817 1 1 6 VAL CG2 C 0.870 -6.978 5.642 1.00 . A A . 6 VAL CG2 1 1 15 4818 1 1 6 VAL H H 4.994 -6.091 4.915 1.00 . A A . 6 VAL H 1 1 15 4819 1 1 6 VAL HA H 2.213 -5.301 4.101 1.00 . A A . 6 VAL HA 1 1 15 4820 1 1 6 VAL HB H 2.483 -7.679 4.456 1.00 . A A . 6 VAL HB 1 1 15 4821 1 1 6 VAL HG11 H 4.200 -7.681 6.264 1.00 . A A . 6 VAL HG11 1 1 15 4822 1 1 6 VAL HG12 H 2.994 -7.054 7.398 1.00 . A A . 6 VAL HG12 1 1 15 4823 1 1 6 VAL HG13 H 2.782 -8.657 6.666 1.00 . A A . 6 VAL HG13 1 1 15 4824 1 1 6 VAL HG21 H 0.322 -6.538 4.809 1.00 . A A . 6 VAL HG21 1 1 15 4825 1 1 6 VAL HG22 H 0.506 -7.993 5.799 1.00 . A A . 6 VAL HG22 1 1 15 4826 1 1 6 VAL HG23 H 0.689 -6.395 6.545 1.00 . A A . 6 VAL HG23 1 1 15 4827 1 1 6 VAL N N 4.251 -5.723 4.334 1.00 . A A . 6 VAL N 1 1 15 4828 1 1 6 VAL O O 3.549 -4.540 6.937 1.00 . A A . 6 VAL O 1 1 15 4829 1 1 7 GLY C C 1.686 -1.212 6.045 1.00 . A A . 7 GLY C 1 1 15 4830 1 1 7 GLY CA C 1.545 -2.552 6.779 1.00 . A A . 7 GLY CA 1 1 15 4831 1 1 7 GLY H H 1.208 -3.742 5.043 1.00 . A A . 7 GLY H 1 1 15 4832 1 1 7 GLY HA2 H 0.541 -2.621 7.197 1.00 . A A . 7 GLY HA2 1 1 15 4833 1 1 7 GLY HA3 H 2.264 -2.575 7.600 1.00 . A A . 7 GLY HA3 1 1 15 4834 1 1 7 GLY N N 1.763 -3.697 5.884 1.00 . A A . 7 GLY N 1 1 15 4835 1 1 7 GLY O O 1.703 -1.188 4.815 1.00 . A A . 7 GLY O 1 1 15 4836 1 1 8 LEU C C 0.978 1.889 5.403 1.00 . A A . 8 LEU C 1 1 15 4837 1 1 8 LEU CA C 2.034 1.284 6.358 1.00 . A A . 8 LEU CA 1 1 15 4838 1 1 8 LEU CB C 3.483 1.386 5.816 1.00 . A A . 8 LEU CB 1 1 15 4839 1 1 8 LEU CD1 C 3.445 3.874 5.101 1.00 . A A . 8 LEU CD1 1 1 15 4840 1 1 8 LEU CD2 C 4.521 3.212 7.236 1.00 . A A . 8 LEU CD2 1 1 15 4841 1 1 8 LEU CG C 4.195 2.753 5.815 1.00 . A A . 8 LEU CG 1 1 15 4842 1 1 8 LEU H H 1.774 -0.259 7.795 1.00 . A A . 8 LEU H 1 1 15 4843 1 1 8 LEU HA H 1.988 1.893 7.259 1.00 . A A . 8 LEU HA 1 1 15 4844 1 1 8 LEU HB2 H 4.112 0.729 6.413 1.00 . A A . 8 LEU HB2 1 1 15 4845 1 1 8 LEU HB3 H 3.503 1.008 4.796 1.00 . A A . 8 LEU HB3 1 1 15 4846 1 1 8 LEU HD11 H 4.092 4.743 4.991 1.00 . A A . 8 LEU HD11 1 1 15 4847 1 1 8 LEU HD12 H 2.565 4.171 5.670 1.00 . A A . 8 LEU HD12 1 1 15 4848 1 1 8 LEU HD13 H 3.132 3.538 4.114 1.00 . A A . 8 LEU HD13 1 1 15 4849 1 1 8 LEU HD21 H 5.098 4.135 7.199 1.00 . A A . 8 LEU HD21 1 1 15 4850 1 1 8 LEU HD22 H 5.110 2.445 7.740 1.00 . A A . 8 LEU HD22 1 1 15 4851 1 1 8 LEU HD23 H 3.606 3.390 7.799 1.00 . A A . 8 LEU HD23 1 1 15 4852 1 1 8 LEU HG H 5.143 2.622 5.290 1.00 . A A . 8 LEU HG 1 1 15 4853 1 1 8 LEU N N 1.788 -0.108 6.798 1.00 . A A . 8 LEU N 1 1 15 4854 1 1 8 LEU O O 0.334 2.864 5.764 1.00 . A A . 8 LEU O 1 1 15 4855 1 1 9 ASP C C -1.176 2.568 3.295 1.00 . A A . 9 ASP C 1 1 15 4856 1 1 9 ASP CA C 0.135 1.816 3.002 1.00 . A A . 9 ASP CA 1 1 15 4857 1 1 9 ASP CB C -0.063 0.603 2.077 1.00 . A A . 9 ASP CB 1 1 15 4858 1 1 9 ASP CG C -0.137 0.945 0.584 1.00 . A A . 9 ASP CG 1 1 15 4859 1 1 9 ASP H H 1.315 0.439 4.118 1.00 . A A . 9 ASP H 1 1 15 4860 1 1 9 ASP HA H 0.785 2.524 2.494 1.00 . A A . 9 ASP HA 1 1 15 4861 1 1 9 ASP HB2 H 0.770 -0.077 2.233 1.00 . A A . 9 ASP HB2 1 1 15 4862 1 1 9 ASP HB3 H -0.962 0.065 2.380 1.00 . A A . 9 ASP HB3 1 1 15 4863 1 1 9 ASP N N 0.835 1.326 4.201 1.00 . A A . 9 ASP N 1 1 15 4864 1 1 9 ASP O O -1.294 3.741 2.962 1.00 . A A . 9 ASP O 1 1 15 4865 1 1 9 ASP OD1 O -1.321 0.992 0.175 1.00 . A A . 9 ASP OD1 1 1 15 4866 1 1 10 SER C C -4.352 3.243 3.669 1.00 . A A . 10 SER C 1 1 15 4867 1 1 10 SER CA C -3.390 2.421 4.552 1.00 . A A . 10 SER CA 1 1 15 4868 1 1 10 SER CB C -3.056 3.213 5.822 1.00 . A A . 10 SER CB 1 1 15 4869 1 1 10 SER H H -1.887 0.954 4.175 1.00 . A A . 10 SER H 1 1 15 4870 1 1 10 SER HA H -3.962 1.552 4.874 1.00 . A A . 10 SER HA 1 1 15 4871 1 1 10 SER HB2 H -2.328 2.655 6.411 1.00 . A A . 10 SER HB2 1 1 15 4872 1 1 10 SER HB3 H -2.626 4.177 5.546 1.00 . A A . 10 SER HB3 1 1 15 4873 1 1 10 SER HG H -4.918 3.728 6.015 1.00 . A A . 10 SER HG 1 1 15 4874 1 1 10 SER N N -2.135 1.907 3.957 1.00 . A A . 10 SER N 1 1 15 4875 1 1 10 SER O O -5.474 3.508 4.105 1.00 . A A . 10 SER O 1 1 15 4876 1 1 10 SER OG O -4.219 3.413 6.608 1.00 . A A . 10 SER OG 1 1 15 4877 1 1 11 VAL C C -4.606 4.055 0.132 1.00 . A A . 11 VAL C 1 1 15 4878 1 1 11 VAL CA C -4.714 4.543 1.571 1.00 . A A . 11 VAL CA 1 1 15 4879 1 1 11 VAL CB C -4.236 6.008 1.692 1.00 . A A . 11 VAL CB 1 1 15 4880 1 1 11 VAL CG1 C -5.112 6.946 0.850 1.00 . A A . 11 VAL CG1 1 1 15 4881 1 1 11 VAL CG2 C -4.265 6.528 3.137 1.00 . A A . 11 VAL CG2 1 1 15 4882 1 1 11 VAL H H -2.979 3.478 2.258 1.00 . A A . 11 VAL H 1 1 15 4883 1 1 11 VAL HA H -5.771 4.504 1.836 1.00 . A A . 11 VAL HA 1 1 15 4884 1 1 11 VAL HB H -3.209 6.078 1.332 1.00 . A A . 11 VAL HB 1 1 15 4885 1 1 11 VAL HG11 H -6.156 6.852 1.150 1.00 . A A . 11 VAL HG11 1 1 15 4886 1 1 11 VAL HG12 H -4.787 7.977 0.985 1.00 . A A . 11 VAL HG12 1 1 15 4887 1 1 11 VAL HG13 H -5.015 6.694 -0.207 1.00 . A A . 11 VAL HG13 1 1 15 4888 1 1 11 VAL HG21 H -4.021 7.590 3.156 1.00 . A A . 11 VAL HG21 1 1 15 4889 1 1 11 VAL HG22 H -5.252 6.374 3.575 1.00 . A A . 11 VAL HG22 1 1 15 4890 1 1 11 VAL HG23 H -3.517 6.003 3.733 1.00 . A A . 11 VAL HG23 1 1 15 4891 1 1 11 VAL N N -3.957 3.653 2.466 1.00 . A A . 11 VAL N 1 1 15 4892 1 1 11 VAL O O -5.634 3.868 -0.516 1.00 . A A . 11 VAL O 1 1 15 4893 1 1 12 SER C C -3.698 1.815 -1.894 1.00 . A A . 12 SER C 1 1 15 4894 1 1 12 SER CA C -3.165 3.248 -1.706 1.00 . A A . 12 SER CA 1 1 15 4895 1 1 12 SER CB C -1.678 3.294 -2.076 1.00 . A A . 12 SER CB 1 1 15 4896 1 1 12 SER H H -2.558 3.994 0.181 1.00 . A A . 12 SER H 1 1 15 4897 1 1 12 SER HA H -3.701 3.887 -2.407 1.00 . A A . 12 SER HA 1 1 15 4898 1 1 12 SER HB2 H -1.174 2.432 -1.656 1.00 . A A . 12 SER HB2 1 1 15 4899 1 1 12 SER HB3 H -1.580 3.244 -3.160 1.00 . A A . 12 SER HB3 1 1 15 4900 1 1 12 SER HG H -0.317 4.184 -0.993 1.00 . A A . 12 SER HG 1 1 15 4901 1 1 12 SER N N -3.390 3.787 -0.357 1.00 . A A . 12 SER N 1 1 15 4902 1 1 12 SER O O -3.854 1.363 -3.025 1.00 . A A . 12 SER O 1 1 15 4903 1 1 12 SER OG O -1.051 4.468 -1.593 1.00 . A A . 12 SER OG 1 1 15 4904 1 1 13 GLY C C -4.039 -1.416 -0.765 1.00 . A A . 13 GLY C 1 1 15 4905 1 1 13 GLY CA C -4.827 -0.101 -0.743 1.00 . A A . 13 GLY CA 1 1 15 4906 1 1 13 GLY H H -3.704 1.541 0.065 1.00 . A A . 13 GLY H 1 1 15 4907 1 1 13 GLY HA2 H -5.433 -0.084 0.161 1.00 . A A . 13 GLY HA2 1 1 15 4908 1 1 13 GLY HA3 H -5.509 -0.104 -1.594 1.00 . A A . 13 GLY HA3 1 1 15 4909 1 1 13 GLY N N -4.024 1.124 -0.796 1.00 . A A . 13 GLY N 1 1 15 4910 1 1 13 GLY O O -4.639 -2.466 -0.988 1.00 . A A . 13 GLY O 1 1 15 4911 1 1 14 GLN C C -0.626 -2.645 -0.048 1.00 . A A . 14 GLN C 1 1 15 4912 1 1 14 GLN CA C -1.798 -2.434 -1.043 1.00 . A A . 14 GLN CA 1 1 15 4913 1 1 14 GLN CB C -1.408 -2.065 -2.500 1.00 . A A . 14 GLN CB 1 1 15 4914 1 1 14 GLN CD C -0.235 -4.165 -3.605 1.00 . A A . 14 GLN CD 1 1 15 4915 1 1 14 GLN CG C -1.414 -3.189 -3.557 1.00 . A A . 14 GLN CG 1 1 15 4916 1 1 14 GLN H H -2.301 -0.480 -0.350 1.00 . A A . 14 GLN H 1 1 15 4917 1 1 14 GLN HA H -2.347 -3.375 -1.065 1.00 . A A . 14 GLN HA 1 1 15 4918 1 1 14 GLN HB2 H -2.149 -1.357 -2.879 1.00 . A A . 14 GLN HB2 1 1 15 4919 1 1 14 GLN HB3 H -0.482 -1.514 -2.516 1.00 . A A . 14 GLN HB3 1 1 15 4920 1 1 14 GLN HE21 H 1.233 -2.835 -3.034 1.00 . A A . 14 GLN HE21 1 1 15 4921 1 1 14 GLN HE22 H 1.708 -4.473 -3.441 1.00 . A A . 14 GLN HE22 1 1 15 4922 1 1 14 GLN HG2 H -2.330 -3.767 -3.437 1.00 . A A . 14 GLN HG2 1 1 15 4923 1 1 14 GLN HG3 H -1.463 -2.715 -4.538 1.00 . A A . 14 GLN HG3 1 1 15 4924 1 1 14 GLN N N -2.716 -1.378 -0.596 1.00 . A A . 14 GLN N 1 1 15 4925 1 1 14 GLN NE2 N 0.993 -3.761 -3.372 1.00 . A A . 14 GLN NE2 1 1 15 4926 1 1 14 GLN O O -0.662 -2.200 1.099 1.00 . A A . 14 GLN O 1 1 15 4927 1 1 14 GLN OE1 O -0.403 -5.333 -3.902 1.00 . A A . 14 GLN OE1 1 1 15 4928 1 1 15 TYR C C 2.647 -2.686 0.506 1.00 . A A . 15 TYR C 1 1 15 4929 1 1 15 TYR CA C 1.556 -3.790 0.376 1.00 . A A . 15 TYR CA 1 1 15 4930 1 1 15 TYR CB C 2.057 -5.126 -0.205 1.00 . A A . 15 TYR CB 1 1 15 4931 1 1 15 TYR CD1 C 1.082 -6.841 1.402 1.00 . A A . 15 TYR CD1 1 1 15 4932 1 1 15 TYR CD2 C 0.376 -6.883 -0.926 1.00 . A A . 15 TYR CD2 1 1 15 4933 1 1 15 TYR CE1 C 0.226 -7.924 1.684 1.00 . A A . 15 TYR CE1 1 1 15 4934 1 1 15 TYR CE2 C -0.487 -7.960 -0.653 1.00 . A A . 15 TYR CE2 1 1 15 4935 1 1 15 TYR CG C 1.154 -6.312 0.099 1.00 . A A . 15 TYR CG 1 1 15 4936 1 1 15 TYR CZ C -0.559 -8.486 0.655 1.00 . A A . 15 TYR CZ 1 1 15 4937 1 1 15 TYR H H 0.406 -3.739 -1.379 1.00 . A A . 15 TYR H 1 1 15 4938 1 1 15 TYR HA H 1.218 -4.006 1.388 1.00 . A A . 15 TYR HA 1 1 15 4939 1 1 15 TYR HB2 H 2.132 -5.024 -1.282 1.00 . A A . 15 TYR HB2 1 1 15 4940 1 1 15 TYR HB3 H 3.058 -5.355 0.146 1.00 . A A . 15 TYR HB3 1 1 15 4941 1 1 15 TYR HD1 H 1.703 -6.417 2.177 1.00 . A A . 15 TYR HD1 1 1 15 4942 1 1 15 TYR HD2 H 0.451 -6.499 -1.932 1.00 . A A . 15 TYR HD2 1 1 15 4943 1 1 15 TYR HE1 H 0.169 -8.340 2.678 1.00 . A A . 15 TYR HE1 1 1 15 4944 1 1 15 TYR HE2 H -1.085 -8.374 -1.450 1.00 . A A . 15 TYR HE2 1 1 15 4945 1 1 15 TYR HH H -1.782 -9.848 0.105 1.00 . A A . 15 TYR HH 1 1 15 4946 1 1 15 TYR N N 0.397 -3.401 -0.432 1.00 . A A . 15 TYR N 1 1 15 4947 1 1 15 TYR O O 3.603 -2.630 -0.263 1.00 . A A . 15 TYR O 1 1 15 4948 1 1 15 TYR OH O -1.375 -9.542 0.915 1.00 . A A . 15 TYR OH 1 1 15 4949 1 1 16 TRP C C 4.152 0.207 1.292 1.00 . A A . 16 TRP C 1 1 15 4950 1 1 16 TRP CA C 3.561 -0.957 2.139 1.00 . A A . 16 TRP CA 1 1 15 4951 1 1 16 TRP CB C 4.621 -1.883 2.762 1.00 . A A . 16 TRP CB 1 1 15 4952 1 1 16 TRP CD1 C 6.886 -0.798 3.001 1.00 . A A . 16 TRP CD1 1 1 15 4953 1 1 16 TRP CD2 C 5.937 -1.227 4.988 1.00 . A A . 16 TRP CD2 1 1 15 4954 1 1 16 TRP CE2 C 7.186 -0.599 5.257 1.00 . A A . 16 TRP CE2 1 1 15 4955 1 1 16 TRP CE3 C 5.193 -1.656 6.105 1.00 . A A . 16 TRP CE3 1 1 15 4956 1 1 16 TRP CG C 5.750 -1.287 3.541 1.00 . A A . 16 TRP CG 1 1 15 4957 1 1 16 TRP CH2 C 6.837 -0.718 7.648 1.00 . A A . 16 TRP CH2 1 1 15 4958 1 1 16 TRP CZ2 C 7.622 -0.308 6.557 1.00 . A A . 16 TRP CZ2 1 1 15 4959 1 1 16 TRP CZ3 C 5.639 -1.416 7.420 1.00 . A A . 16 TRP CZ3 1 1 15 4960 1 1 16 TRP H H 1.651 -1.940 2.039 1.00 . A A . 16 TRP H 1 1 15 4961 1 1 16 TRP HA H 3.094 -0.467 2.989 1.00 . A A . 16 TRP HA 1 1 15 4962 1 1 16 TRP HB2 H 4.105 -2.555 3.445 1.00 . A A . 16 TRP HB2 1 1 15 4963 1 1 16 TRP HB3 H 5.057 -2.501 1.979 1.00 . A A . 16 TRP HB3 1 1 15 4964 1 1 16 TRP HD1 H 7.084 -0.751 1.938 1.00 . A A . 16 TRP HD1 1 1 15 4965 1 1 16 TRP HE1 H 8.722 -0.218 3.832 1.00 . A A . 16 TRP HE1 1 1 15 4966 1 1 16 TRP HE3 H 4.285 -2.207 5.933 1.00 . A A . 16 TRP HE3 1 1 15 4967 1 1 16 TRP HH2 H 7.175 -0.543 8.660 1.00 . A A . 16 TRP HH2 1 1 15 4968 1 1 16 TRP HZ2 H 8.569 0.173 6.731 1.00 . A A . 16 TRP HZ2 1 1 15 4969 1 1 16 TRP HZ3 H 5.075 -1.801 8.258 1.00 . A A . 16 TRP HZ3 1 1 15 4970 1 1 16 TRP N N 2.514 -1.819 1.525 1.00 . A A . 16 TRP N 1 1 15 4971 1 1 16 TRP NE1 N 7.758 -0.454 4.011 1.00 . A A . 16 TRP NE1 1 1 15 4972 1 1 16 TRP O O 5.088 0.050 0.518 1.00 . A A . 16 TRP O 1 1 15 4973 1 1 17 ASP C C 5.432 3.317 1.345 1.00 . A A . 17 ASP C 1 1 15 4974 1 1 17 ASP CA C 4.099 2.694 0.844 1.00 . A A . 17 ASP CA 1 1 15 4975 1 1 17 ASP CB C 2.978 3.763 0.953 1.00 . A A . 17 ASP CB 1 1 15 4976 1 1 17 ASP CG C 1.969 3.715 -0.190 1.00 . A A . 17 ASP CG 1 1 15 4977 1 1 17 ASP H H 2.885 1.517 2.148 1.00 . A A . 17 ASP H 1 1 15 4978 1 1 17 ASP HA H 4.263 2.483 -0.215 1.00 . A A . 17 ASP HA 1 1 15 4979 1 1 17 ASP HB2 H 2.473 3.658 1.909 1.00 . A A . 17 ASP HB2 1 1 15 4980 1 1 17 ASP HB3 H 3.389 4.772 0.935 1.00 . A A . 17 ASP HB3 1 1 15 4981 1 1 17 ASP N N 3.660 1.439 1.512 1.00 . A A . 17 ASP N 1 1 15 4982 1 1 17 ASP O O 5.727 4.471 1.016 1.00 . A A . 17 ASP O 1 1 15 4983 1 1 17 ASP OD1 O 2.393 3.752 -1.362 1.00 . A A . 17 ASP OD1 1 1 15 4984 1 1 17 ASP OD2 O 0.761 3.579 0.100 1.00 . A A . 17 ASP OD2 1 1 15 4985 1 1 18 GLN C C 8.390 3.823 1.564 1.00 . A A . 18 GLN C 1 1 15 4986 1 1 18 GLN CA C 7.441 3.380 2.697 1.00 . A A . 18 GLN CA 1 1 15 4987 1 1 18 GLN CB C 8.229 2.637 3.800 1.00 . A A . 18 GLN CB 1 1 15 4988 1 1 18 GLN CD C 9.981 3.213 5.685 1.00 . A A . 18 GLN CD 1 1 15 4989 1 1 18 GLN CG C 9.273 3.605 4.396 1.00 . A A . 18 GLN CG 1 1 15 4990 1 1 18 GLN H H 6.072 1.695 2.394 1.00 . A A . 18 GLN H 1 1 15 4991 1 1 18 GLN HA H 7.040 4.281 3.162 1.00 . A A . 18 GLN HA 1 1 15 4992 1 1 18 GLN HB2 H 7.545 2.308 4.583 1.00 . A A . 18 GLN HB2 1 1 15 4993 1 1 18 GLN HB3 H 8.754 1.790 3.361 1.00 . A A . 18 GLN HB3 1 1 15 4994 1 1 18 GLN HE21 H 10.394 1.265 5.173 1.00 . A A . 18 GLN HE21 1 1 15 4995 1 1 18 GLN HE22 H 10.931 1.854 6.734 1.00 . A A . 18 GLN HE22 1 1 15 4996 1 1 18 GLN HG2 H 10.056 3.791 3.665 1.00 . A A . 18 GLN HG2 1 1 15 4997 1 1 18 GLN HG3 H 8.764 4.545 4.605 1.00 . A A . 18 GLN HG3 1 1 15 4998 1 1 18 GLN N N 6.254 2.666 2.187 1.00 . A A . 18 GLN N 1 1 15 4999 1 1 18 GLN NE2 N 10.454 2.000 5.859 1.00 . A A . 18 GLN NE2 1 1 15 5000 1 1 18 GLN O O 8.814 3.034 0.732 1.00 . A A . 18 GLN O 1 1 15 5001 1 1 18 GLN OE1 O 10.207 4.076 6.519 1.00 . A A . 18 GLN OE1 1 1 15 5002 1 1 19 HIS C C 11.329 5.043 0.912 1.00 . A A . 19 HIS C 1 1 15 5003 1 1 19 HIS CA C 9.940 5.752 0.930 1.00 . A A . 19 HIS CA 1 1 15 5004 1 1 19 HIS CB C 10.053 7.180 1.512 1.00 . A A . 19 HIS CB 1 1 15 5005 1 1 19 HIS CD2 C 12.030 7.458 3.109 1.00 . A A . 19 HIS CD2 1 1 15 5006 1 1 19 HIS CE1 C 11.092 6.879 5.034 1.00 . A A . 19 HIS CE1 1 1 15 5007 1 1 19 HIS CG C 10.702 7.224 2.884 1.00 . A A . 19 HIS CG 1 1 15 5008 1 1 19 HIS H H 8.214 5.654 2.197 1.00 . A A . 19 HIS H 1 1 15 5009 1 1 19 HIS HA H 9.638 5.835 -0.116 1.00 . A A . 19 HIS HA 1 1 15 5010 1 1 19 HIS HB2 H 10.650 7.786 0.826 1.00 . A A . 19 HIS HB2 1 1 15 5011 1 1 19 HIS HB3 H 9.064 7.641 1.557 1.00 . A A . 19 HIS HB3 1 1 15 5012 1 1 19 HIS HD1 H 9.148 6.663 4.257 1.00 . A A . 19 HIS HD1 1 1 15 5013 1 1 19 HIS HD2 H 12.764 7.679 2.339 1.00 . A A . 19 HIS HD2 1 1 15 5014 1 1 19 HIS HE1 H 10.962 6.571 6.071 1.00 . A A . 19 HIS HE1 1 1 15 5015 1 1 19 HIS HE2 H 13.164 7.284 4.915 1.00 . A A . 19 HIS HE2 1 1 15 5016 1 1 19 HIS N N 8.831 5.084 1.645 1.00 . A A . 19 HIS N 1 1 15 5017 1 1 19 HIS ND1 N 10.120 6.893 4.097 1.00 . A A . 19 HIS ND1 1 1 15 5018 1 1 19 HIS NE2 N 12.259 7.240 4.457 1.00 . A A . 19 HIS NE2 1 1 15 5019 1 1 19 HIS O O 12.340 5.714 0.702 1.00 . A A . 19 HIS O 1 1 15 5020 1 1 20 ALA C C 12.359 1.586 0.521 1.00 . A A . 20 ALA C 1 1 15 5021 1 1 20 ALA CA C 12.623 2.917 1.261 1.00 . A A . 20 ALA CA 1 1 15 5022 1 1 20 ALA CB C 12.947 2.691 2.745 1.00 . A A . 20 ALA CB 1 1 15 5023 1 1 20 ALA H H 10.554 3.215 1.169 1.00 . A A . 20 ALA H 1 1 15 5024 1 1 20 ALA HA H 13.457 3.431 0.781 1.00 . A A . 20 ALA HA 1 1 15 5025 1 1 20 ALA HB1 H 13.162 3.642 3.230 1.00 . A A . 20 ALA HB1 1 1 15 5026 1 1 20 ALA HB2 H 12.096 2.218 3.237 1.00 . A A . 20 ALA HB2 1 1 15 5027 1 1 20 ALA HB3 H 13.811 2.037 2.852 1.00 . A A . 20 ALA HB3 1 1 15 5028 1 1 20 ALA N N 11.419 3.748 1.199 1.00 . A A . 20 ALA N 1 1 15 5029 1 1 20 ALA O O 11.204 1.173 0.449 1.00 . A A . 20 ALA O 1 1 15 5030 1 1 21 PRO C C 12.639 -1.514 -0.127 1.00 . A A . 21 PRO C 1 1 15 5031 1 1 21 PRO CA C 13.165 -0.279 -0.874 1.00 . A A . 21 PRO CA 1 1 15 5032 1 1 21 PRO CB C 14.533 -0.566 -1.505 1.00 . A A . 21 PRO CB 1 1 15 5033 1 1 21 PRO CD C 14.804 1.186 0.094 1.00 . A A . 21 PRO CD 1 1 15 5034 1 1 21 PRO CG C 15.516 -0.052 -0.454 1.00 . A A . 21 PRO CG 1 1 15 5035 1 1 21 PRO HA H 12.449 -0.043 -1.663 1.00 . A A . 21 PRO HA 1 1 15 5036 1 1 21 PRO HB2 H 14.680 -1.628 -1.714 1.00 . A A . 21 PRO HB2 1 1 15 5037 1 1 21 PRO HB3 H 14.638 0.019 -2.420 1.00 . A A . 21 PRO HB3 1 1 15 5038 1 1 21 PRO HD2 H 15.098 1.356 1.130 1.00 . A A . 21 PRO HD2 1 1 15 5039 1 1 21 PRO HD3 H 15.052 2.053 -0.519 1.00 . A A . 21 PRO HD3 1 1 15 5040 1 1 21 PRO HG2 H 15.628 -0.794 0.338 1.00 . A A . 21 PRO HG2 1 1 15 5041 1 1 21 PRO HG3 H 16.484 0.195 -0.890 1.00 . A A . 21 PRO HG3 1 1 15 5042 1 1 21 PRO N N 13.382 0.895 -0.019 1.00 . A A . 21 PRO N 1 1 15 5043 1 1 21 PRO O O 12.109 -2.422 -0.759 1.00 . A A . 21 PRO O 1 1 15 5044 1 1 22 LEU C C 12.230 -2.124 3.538 1.00 . A A . 22 LEU C 1 1 15 5045 1 1 22 LEU CA C 12.413 -2.639 2.093 1.00 . A A . 22 LEU CA 1 1 15 5046 1 1 22 LEU CB C 13.398 -3.813 1.923 1.00 . A A . 22 LEU CB 1 1 15 5047 1 1 22 LEU CD1 C 15.225 -4.136 3.689 1.00 . A A . 22 LEU CD1 1 1 15 5048 1 1 22 LEU CD2 C 15.811 -4.124 1.285 1.00 . A A . 22 LEU CD2 1 1 15 5049 1 1 22 LEU CG C 14.861 -3.537 2.333 1.00 . A A . 22 LEU CG 1 1 15 5050 1 1 22 LEU H H 13.180 -0.737 1.656 1.00 . A A . 22 LEU H 1 1 15 5051 1 1 22 LEU HA H 11.439 -2.984 1.769 1.00 . A A . 22 LEU HA 1 1 15 5052 1 1 22 LEU HB2 H 13.019 -4.681 2.453 1.00 . A A . 22 LEU HB2 1 1 15 5053 1 1 22 LEU HB3 H 13.371 -4.100 0.872 1.00 . A A . 22 LEU HB3 1 1 15 5054 1 1 22 LEU HD11 H 14.579 -3.737 4.469 1.00 . A A . 22 LEU HD11 1 1 15 5055 1 1 22 LEU HD12 H 16.260 -3.924 3.946 1.00 . A A . 22 LEU HD12 1 1 15 5056 1 1 22 LEU HD13 H 15.079 -5.219 3.669 1.00 . A A . 22 LEU HD13 1 1 15 5057 1 1 22 LEU HD21 H 15.646 -5.200 1.217 1.00 . A A . 22 LEU HD21 1 1 15 5058 1 1 22 LEU HD22 H 16.844 -3.936 1.573 1.00 . A A . 22 LEU HD22 1 1 15 5059 1 1 22 LEU HD23 H 15.614 -3.669 0.316 1.00 . A A . 22 LEU HD23 1 1 15 5060 1 1 22 LEU HG H 15.039 -2.462 2.375 1.00 . A A . 22 LEU HG 1 1 15 5061 1 1 22 LEU N N 12.810 -1.554 1.197 1.00 . A A . 22 LEU N 1 1 15 5062 1 1 22 LEU O O 12.292 -0.906 3.761 1.00 . A A . 22 LEU O 1 1 15 5063 1 1 23 ALA C C 12.339 -3.841 6.766 1.00 . A A . 23 ALA C 1 1 15 5064 1 1 23 ALA CA C 11.818 -2.676 5.916 1.00 . A A . 23 ALA CA 1 1 15 5065 1 1 23 ALA CB C 10.360 -2.313 6.232 1.00 . A A . 23 ALA CB 1 1 15 5066 1 1 23 ALA H H 12.016 -4.009 4.288 1.00 . A A . 23 ALA H 1 1 15 5067 1 1 23 ALA HA H 12.449 -1.817 6.143 1.00 . A A . 23 ALA HA 1 1 15 5068 1 1 23 ALA HB1 H 10.080 -1.432 5.661 1.00 . A A . 23 ALA HB1 1 1 15 5069 1 1 23 ALA HB2 H 9.692 -3.137 5.970 1.00 . A A . 23 ALA HB2 1 1 15 5070 1 1 23 ALA HB3 H 10.260 -2.105 7.298 1.00 . A A . 23 ALA HB3 1 1 15 5071 1 1 23 ALA N N 11.944 -3.007 4.495 1.00 . A A . 23 ALA N 1 1 15 5072 1 1 23 ALA O O 13.416 -3.723 7.353 1.00 . A A . 23 ALA O 1 1 15 5073 1 1 24 ASP C C 12.982 -6.545 5.523 1.00 . A A . 24 ASP C 1 1 15 5074 1 1 24 ASP CA C 12.104 -6.311 6.772 1.00 . A A . 24 ASP CA 1 1 15 5075 1 1 24 ASP CB C 10.917 -7.308 6.799 1.00 . A A . 24 ASP CB 1 1 15 5076 1 1 24 ASP CG C 9.677 -6.838 7.585 1.00 . A A . 24 ASP CG 1 1 15 5077 1 1 24 ASP H H 10.670 -4.889 6.338 1.00 . A A . 24 ASP H 1 1 15 5078 1 1 24 ASP HA H 12.724 -6.467 7.654 1.00 . A A . 24 ASP HA 1 1 15 5079 1 1 24 ASP HB2 H 10.603 -7.502 5.771 1.00 . A A . 24 ASP HB2 1 1 15 5080 1 1 24 ASP HB3 H 11.267 -8.255 7.211 1.00 . A A . 24 ASP HB3 1 1 15 5081 1 1 24 ASP N N 11.580 -4.939 6.777 1.00 . A A . 24 ASP N 1 1 15 5082 1 1 24 ASP O O 13.936 -7.349 5.611 1.00 . A A . 24 ASP O 1 1 15 5083 1 1 24 ASP OXT O 12.699 -5.874 4.499 1.00 . A A . 24 ASP OXT 1 1 15 5084 1 1 24 ASP OD1 O 9.622 -7.068 8.817 1.00 . A A . 24 ASP OD1 1 1 15 5085 1 1 24 ASP OD2 O 8.776 -6.247 6.937 1.00 . A A . 24 ASP OD2 1 1 16 5086 1 1 1 GLY C C 1.978 -0.407 -2.618 1.00 . A A . 1 GLY C 1 1 16 5087 1 1 1 GLY CA C 1.677 0.718 -1.606 1.00 . A A . 1 GLY CA 1 1 16 5088 1 1 1 GLY H1 H 1.915 -0.193 0.294 1.00 . A A . 1 GLY H1 1 1 16 5089 1 1 1 GLY HA2 H 0.923 1.376 -2.040 1.00 . A A . 1 GLY HA2 1 1 16 5090 1 1 1 GLY HA3 H 2.595 1.293 -1.491 1.00 . A A . 1 GLY HA3 1 1 16 5091 1 1 1 GLY N N 1.242 0.306 -0.263 1.00 . A A . 1 GLY N 1 1 16 5092 1 1 1 GLY O O 1.720 -1.589 -2.380 1.00 . A A . 1 GLY O 1 1 16 5093 1 1 2 PRO C C 4.317 -1.643 -4.566 1.00 . A A . 2 PRO C 1 1 16 5094 1 1 2 PRO CA C 2.920 -1.030 -4.837 1.00 . A A . 2 PRO CA 1 1 16 5095 1 1 2 PRO CB C 2.847 -0.217 -6.140 1.00 . A A . 2 PRO CB 1 1 16 5096 1 1 2 PRO CD C 2.653 1.301 -4.295 1.00 . A A . 2 PRO CD 1 1 16 5097 1 1 2 PRO CG C 3.260 1.186 -5.695 1.00 . A A . 2 PRO CG 1 1 16 5098 1 1 2 PRO HA H 2.203 -1.849 -4.892 1.00 . A A . 2 PRO HA 1 1 16 5099 1 1 2 PRO HB2 H 3.493 -0.599 -6.930 1.00 . A A . 2 PRO HB2 1 1 16 5100 1 1 2 PRO HB3 H 1.815 -0.195 -6.495 1.00 . A A . 2 PRO HB3 1 1 16 5101 1 1 2 PRO HD2 H 3.300 1.895 -3.645 1.00 . A A . 2 PRO HD2 1 1 16 5102 1 1 2 PRO HD3 H 1.669 1.768 -4.368 1.00 . A A . 2 PRO HD3 1 1 16 5103 1 1 2 PRO HG2 H 4.347 1.253 -5.632 1.00 . A A . 2 PRO HG2 1 1 16 5104 1 1 2 PRO HG3 H 2.868 1.949 -6.369 1.00 . A A . 2 PRO HG3 1 1 16 5105 1 1 2 PRO N N 2.510 -0.066 -3.807 1.00 . A A . 2 PRO N 1 1 16 5106 1 1 2 PRO O O 5.221 -1.536 -5.394 1.00 . A A . 2 PRO O 1 1 16 5107 1 1 3 THR C C 5.556 -4.226 -2.257 1.00 . A A . 3 THR C 1 1 16 5108 1 1 3 THR CA C 5.777 -2.840 -2.910 1.00 . A A . 3 THR CA 1 1 16 5109 1 1 3 THR CB C 6.406 -1.776 -1.979 1.00 . A A . 3 THR CB 1 1 16 5110 1 1 3 THR CG2 C 6.938 -2.209 -0.621 1.00 . A A . 3 THR CG2 1 1 16 5111 1 1 3 THR H H 3.706 -2.371 -2.773 1.00 . A A . 3 THR H 1 1 16 5112 1 1 3 THR HA H 6.445 -2.988 -3.760 1.00 . A A . 3 THR HA 1 1 16 5113 1 1 3 THR HB H 5.671 -0.992 -1.793 1.00 . A A . 3 THR HB 1 1 16 5114 1 1 3 THR HG1 H 7.808 -0.470 -2.078 1.00 . A A . 3 THR HG1 1 1 16 5115 1 1 3 THR HG21 H 7.177 -1.320 -0.041 1.00 . A A . 3 THR HG21 1 1 16 5116 1 1 3 THR HG22 H 7.849 -2.779 -0.745 1.00 . A A . 3 THR HG22 1 1 16 5117 1 1 3 THR HG23 H 6.180 -2.785 -0.095 1.00 . A A . 3 THR HG23 1 1 16 5118 1 1 3 THR N N 4.498 -2.283 -3.405 1.00 . A A . 3 THR N 1 1 16 5119 1 1 3 THR O O 4.405 -4.602 -2.066 1.00 . A A . 3 THR O 1 1 16 5120 1 1 3 THR OG1 O 7.507 -1.194 -2.633 1.00 . A A . 3 THR OG1 1 1 16 5121 1 1 4 PRO C C 6.207 -6.564 0.117 1.00 . A A . 4 PRO C 1 1 16 5122 1 1 4 PRO CA C 6.377 -6.409 -1.417 1.00 . A A . 4 PRO CA 1 1 16 5123 1 1 4 PRO CB C 7.555 -7.243 -1.940 1.00 . A A . 4 PRO CB 1 1 16 5124 1 1 4 PRO CD C 7.904 -4.963 -2.597 1.00 . A A . 4 PRO CD 1 1 16 5125 1 1 4 PRO CG C 8.662 -6.227 -2.197 1.00 . A A . 4 PRO CG 1 1 16 5126 1 1 4 PRO HA H 5.469 -6.829 -1.852 1.00 . A A . 4 PRO HA 1 1 16 5127 1 1 4 PRO HB2 H 7.876 -8.011 -1.235 1.00 . A A . 4 PRO HB2 1 1 16 5128 1 1 4 PRO HB3 H 7.267 -7.707 -2.883 1.00 . A A . 4 PRO HB3 1 1 16 5129 1 1 4 PRO HD2 H 8.457 -4.079 -2.285 1.00 . A A . 4 PRO HD2 1 1 16 5130 1 1 4 PRO HD3 H 7.783 -4.949 -3.680 1.00 . A A . 4 PRO HD3 1 1 16 5131 1 1 4 PRO HG2 H 9.220 -6.061 -1.280 1.00 . A A . 4 PRO HG2 1 1 16 5132 1 1 4 PRO HG3 H 9.335 -6.557 -2.988 1.00 . A A . 4 PRO HG3 1 1 16 5133 1 1 4 PRO N N 6.587 -5.057 -1.974 1.00 . A A . 4 PRO N 1 1 16 5134 1 1 4 PRO O O 5.943 -7.680 0.557 1.00 . A A . 4 PRO O 1 1 16 5135 1 1 5 MET C C 4.826 -5.275 2.941 1.00 . A A . 5 MET C 1 1 16 5136 1 1 5 MET CA C 6.239 -5.619 2.427 1.00 . A A . 5 MET CA 1 1 16 5137 1 1 5 MET CB C 7.284 -4.713 3.111 1.00 . A A . 5 MET CB 1 1 16 5138 1 1 5 MET CE C 9.534 -4.413 0.825 1.00 . A A . 5 MET CE 1 1 16 5139 1 1 5 MET CG C 8.656 -5.373 3.311 1.00 . A A . 5 MET CG 1 1 16 5140 1 1 5 MET H H 6.448 -4.607 0.536 1.00 . A A . 5 MET H 1 1 16 5141 1 1 5 MET HA H 6.443 -6.647 2.733 1.00 . A A . 5 MET HA 1 1 16 5142 1 1 5 MET HB2 H 7.393 -3.788 2.549 1.00 . A A . 5 MET HB2 1 1 16 5143 1 1 5 MET HB3 H 6.925 -4.441 4.103 1.00 . A A . 5 MET HB3 1 1 16 5144 1 1 5 MET HE1 H 8.615 -4.419 0.251 1.00 . A A . 5 MET HE1 1 1 16 5145 1 1 5 MET HE2 H 9.559 -3.524 1.452 1.00 . A A . 5 MET HE2 1 1 16 5146 1 1 5 MET HE3 H 10.381 -4.410 0.137 1.00 . A A . 5 MET HE3 1 1 16 5147 1 1 5 MET HG2 H 9.290 -4.671 3.851 1.00 . A A . 5 MET HG2 1 1 16 5148 1 1 5 MET HG3 H 8.529 -6.246 3.953 1.00 . A A . 5 MET HG3 1 1 16 5149 1 1 5 MET N N 6.340 -5.517 0.948 1.00 . A A . 5 MET N 1 1 16 5150 1 1 5 MET O O 4.079 -4.545 2.295 1.00 . A A . 5 MET O 1 1 16 5151 1 1 5 MET SD S 9.571 -5.906 1.839 1.00 . A A . 5 MET SD 1 1 16 5152 1 1 6 VAL C C 2.966 -4.382 5.649 1.00 . A A . 6 VAL C 1 1 16 5153 1 1 6 VAL CA C 3.081 -5.565 4.677 1.00 . A A . 6 VAL CA 1 1 16 5154 1 1 6 VAL CB C 2.565 -6.893 5.272 1.00 . A A . 6 VAL CB 1 1 16 5155 1 1 6 VAL CG1 C 3.316 -7.342 6.531 1.00 . A A . 6 VAL CG1 1 1 16 5156 1 1 6 VAL CG2 C 1.061 -6.837 5.575 1.00 . A A . 6 VAL CG2 1 1 16 5157 1 1 6 VAL H H 5.119 -6.260 4.682 1.00 . A A . 6 VAL H 1 1 16 5158 1 1 6 VAL HA H 2.428 -5.342 3.836 1.00 . A A . 6 VAL HA 1 1 16 5159 1 1 6 VAL HB H 2.700 -7.664 4.513 1.00 . A A . 6 VAL HB 1 1 16 5160 1 1 6 VAL HG11 H 4.380 -7.452 6.314 1.00 . A A . 6 VAL HG11 1 1 16 5161 1 1 6 VAL HG12 H 3.190 -6.613 7.333 1.00 . A A . 6 VAL HG12 1 1 16 5162 1 1 6 VAL HG13 H 2.931 -8.307 6.864 1.00 . A A . 6 VAL HG13 1 1 16 5163 1 1 6 VAL HG21 H 0.862 -6.172 6.414 1.00 . A A . 6 VAL HG21 1 1 16 5164 1 1 6 VAL HG22 H 0.515 -6.496 4.695 1.00 . A A . 6 VAL HG22 1 1 16 5165 1 1 6 VAL HG23 H 0.709 -7.835 5.833 1.00 . A A . 6 VAL HG23 1 1 16 5166 1 1 6 VAL N N 4.446 -5.741 4.137 1.00 . A A . 6 VAL N 1 1 16 5167 1 1 6 VAL O O 3.883 -4.089 6.409 1.00 . A A . 6 VAL O 1 1 16 5168 1 1 7 GLY C C 1.685 -1.203 5.758 1.00 . A A . 7 GLY C 1 1 16 5169 1 1 7 GLY CA C 1.538 -2.533 6.506 1.00 . A A . 7 GLY CA 1 1 16 5170 1 1 7 GLY H H 1.127 -3.954 4.964 1.00 . A A . 7 GLY H 1 1 16 5171 1 1 7 GLY HA2 H 0.518 -2.604 6.882 1.00 . A A . 7 GLY HA2 1 1 16 5172 1 1 7 GLY HA3 H 2.220 -2.525 7.357 1.00 . A A . 7 GLY HA3 1 1 16 5173 1 1 7 GLY N N 1.814 -3.700 5.656 1.00 . A A . 7 GLY N 1 1 16 5174 1 1 7 GLY O O 1.855 -1.198 4.545 1.00 . A A . 7 GLY O 1 1 16 5175 1 1 8 LEU C C 0.887 1.898 4.956 1.00 . A A . 8 LEU C 1 1 16 5176 1 1 8 LEU CA C 1.819 1.334 6.060 1.00 . A A . 8 LEU CA 1 1 16 5177 1 1 8 LEU CB C 3.311 1.541 5.701 1.00 . A A . 8 LEU CB 1 1 16 5178 1 1 8 LEU CD1 C 3.329 4.120 5.782 1.00 . A A . 8 LEU CD1 1 1 16 5179 1 1 8 LEU CD2 C 4.292 2.831 7.677 1.00 . A A . 8 LEU CD2 1 1 16 5180 1 1 8 LEU CG C 4.022 2.822 6.172 1.00 . A A . 8 LEU CG 1 1 16 5181 1 1 8 LEU H H 1.482 -0.218 7.469 1.00 . A A . 8 LEU H 1 1 16 5182 1 1 8 LEU HA H 1.614 1.939 6.944 1.00 . A A . 8 LEU HA 1 1 16 5183 1 1 8 LEU HB2 H 3.883 0.711 6.103 1.00 . A A . 8 LEU HB2 1 1 16 5184 1 1 8 LEU HB3 H 3.414 1.489 4.618 1.00 . A A . 8 LEU HB3 1 1 16 5185 1 1 8 LEU HD11 H 2.429 4.262 6.378 1.00 . A A . 8 LEU HD11 1 1 16 5186 1 1 8 LEU HD12 H 3.062 4.088 4.726 1.00 . A A . 8 LEU HD12 1 1 16 5187 1 1 8 LEU HD13 H 4.003 4.958 5.944 1.00 . A A . 8 LEU HD13 1 1 16 5188 1 1 8 LEU HD21 H 4.812 3.749 7.947 1.00 . A A . 8 LEU HD21 1 1 16 5189 1 1 8 LEU HD22 H 4.927 1.983 7.940 1.00 . A A . 8 LEU HD22 1 1 16 5190 1 1 8 LEU HD23 H 3.358 2.770 8.235 1.00 . A A . 8 LEU HD23 1 1 16 5191 1 1 8 LEU HG H 4.991 2.830 5.685 1.00 . A A . 8 LEU HG 1 1 16 5192 1 1 8 LEU N N 1.614 -0.074 6.480 1.00 . A A . 8 LEU N 1 1 16 5193 1 1 8 LEU O O 0.518 3.067 5.037 1.00 . A A . 8 LEU O 1 1 16 5194 1 1 9 ASP C C -1.719 1.857 2.891 1.00 . A A . 9 ASP C 1 1 16 5195 1 1 9 ASP CA C -0.242 1.417 2.706 1.00 . A A . 9 ASP CA 1 1 16 5196 1 1 9 ASP CB C -0.098 0.200 1.765 1.00 . A A . 9 ASP CB 1 1 16 5197 1 1 9 ASP CG C 0.046 0.569 0.278 1.00 . A A . 9 ASP CG 1 1 16 5198 1 1 9 ASP H H 0.817 0.149 4.031 1.00 . A A . 9 ASP H 1 1 16 5199 1 1 9 ASP HA H 0.269 2.261 2.255 1.00 . A A . 9 ASP HA 1 1 16 5200 1 1 9 ASP HB2 H 0.780 -0.366 2.059 1.00 . A A . 9 ASP HB2 1 1 16 5201 1 1 9 ASP HB3 H -0.948 -0.473 1.908 1.00 . A A . 9 ASP HB3 1 1 16 5202 1 1 9 ASP N N 0.482 1.102 3.961 1.00 . A A . 9 ASP N 1 1 16 5203 1 1 9 ASP O O -2.614 1.519 2.120 1.00 . A A . 9 ASP O 1 1 16 5204 1 1 9 ASP OD1 O -0.961 0.289 -0.402 1.00 . A A . 9 ASP OD1 1 1 16 5205 1 1 10 SER C C -4.272 3.715 3.769 1.00 . A A . 10 SER C 1 1 16 5206 1 1 10 SER CA C -3.233 2.969 4.624 1.00 . A A . 10 SER CA 1 1 16 5207 1 1 10 SER CB C -2.893 3.835 5.851 1.00 . A A . 10 SER CB 1 1 16 5208 1 1 10 SER H H -1.130 2.895 4.427 1.00 . A A . 10 SER H 1 1 16 5209 1 1 10 SER HA H -3.702 2.050 4.976 1.00 . A A . 10 SER HA 1 1 16 5210 1 1 10 SER HB2 H -2.570 4.817 5.504 1.00 . A A . 10 SER HB2 1 1 16 5211 1 1 10 SER HB3 H -3.787 3.963 6.461 1.00 . A A . 10 SER HB3 1 1 16 5212 1 1 10 SER HG H -1.018 3.378 6.181 1.00 . A A . 10 SER HG 1 1 16 5213 1 1 10 SER N N -1.973 2.620 3.951 1.00 . A A . 10 SER N 1 1 16 5214 1 1 10 SER O O -5.335 4.066 4.275 1.00 . A A . 10 SER O 1 1 16 5215 1 1 10 SER OG O -1.860 3.269 6.648 1.00 . A A . 10 SER OG 1 1 16 5216 1 1 11 VAL C C -4.763 3.910 0.180 1.00 . A A . 11 VAL C 1 1 16 5217 1 1 11 VAL CA C -4.837 4.648 1.513 1.00 . A A . 11 VAL CA 1 1 16 5218 1 1 11 VAL CB C -4.461 6.134 1.311 1.00 . A A . 11 VAL CB 1 1 16 5219 1 1 11 VAL CG1 C -5.451 6.841 0.374 1.00 . A A . 11 VAL CG1 1 1 16 5220 1 1 11 VAL CG2 C -4.418 6.922 2.627 1.00 . A A . 11 VAL CG2 1 1 16 5221 1 1 11 VAL H H -3.130 3.517 2.168 1.00 . A A . 11 VAL H 1 1 16 5222 1 1 11 VAL HA H -5.870 4.598 1.861 1.00 . A A . 11 VAL HA 1 1 16 5223 1 1 11 VAL HB H -3.471 6.190 0.859 1.00 . A A . 11 VAL HB 1 1 16 5224 1 1 11 VAL HG11 H -5.138 7.871 0.211 1.00 . A A . 11 VAL HG11 1 1 16 5225 1 1 11 VAL HG12 H -5.476 6.346 -0.596 1.00 . A A . 11 VAL HG12 1 1 16 5226 1 1 11 VAL HG13 H -6.454 6.827 0.801 1.00 . A A . 11 VAL HG13 1 1 16 5227 1 1 11 VAL HG21 H -5.373 6.835 3.148 1.00 . A A . 11 VAL HG21 1 1 16 5228 1 1 11 VAL HG22 H -3.626 6.531 3.265 1.00 . A A . 11 VAL HG22 1 1 16 5229 1 1 11 VAL HG23 H -4.201 7.971 2.425 1.00 . A A . 11 VAL HG23 1 1 16 5230 1 1 11 VAL N N -3.967 3.984 2.498 1.00 . A A . 11 VAL N 1 1 16 5231 1 1 11 VAL O O -5.798 3.572 -0.387 1.00 . A A . 11 VAL O 1 1 16 5232 1 1 12 SER C C -3.761 1.495 -1.603 1.00 . A A . 12 SER C 1 1 16 5233 1 1 12 SER CA C -3.282 2.957 -1.577 1.00 . A A . 12 SER CA 1 1 16 5234 1 1 12 SER CB C -1.794 3.050 -1.926 1.00 . A A . 12 SER CB 1 1 16 5235 1 1 12 SER H H -2.730 4.028 0.149 1.00 . A A . 12 SER H 1 1 16 5236 1 1 12 SER HA H -3.826 3.481 -2.360 1.00 . A A . 12 SER HA 1 1 16 5237 1 1 12 SER HB2 H -1.236 2.360 -1.312 1.00 . A A . 12 SER HB2 1 1 16 5238 1 1 12 SER HB3 H -1.651 2.788 -2.975 1.00 . A A . 12 SER HB3 1 1 16 5239 1 1 12 SER HG H -0.517 4.212 -1.059 1.00 . A A . 12 SER HG 1 1 16 5240 1 1 12 SER N N -3.546 3.649 -0.309 1.00 . A A . 12 SER N 1 1 16 5241 1 1 12 SER O O -3.972 0.953 -2.686 1.00 . A A . 12 SER O 1 1 16 5242 1 1 12 SER OG O -1.278 4.344 -1.669 1.00 . A A . 12 SER OG 1 1 16 5243 1 1 13 GLY C C -4.200 -1.645 -0.356 1.00 . A A . 13 GLY C 1 1 16 5244 1 1 13 GLY CA C -4.901 -0.283 -0.286 1.00 . A A . 13 GLY CA 1 1 16 5245 1 1 13 GLY H H -3.693 1.354 0.400 1.00 . A A . 13 GLY H 1 1 16 5246 1 1 13 GLY HA2 H -5.413 -0.214 0.673 1.00 . A A . 13 GLY HA2 1 1 16 5247 1 1 13 GLY HA3 H -5.658 -0.262 -1.070 1.00 . A A . 13 GLY HA3 1 1 16 5248 1 1 13 GLY N N -4.033 0.893 -0.436 1.00 . A A . 13 GLY N 1 1 16 5249 1 1 13 GLY O O -4.862 -2.656 -0.586 1.00 . A A . 13 GLY O 1 1 16 5250 1 1 14 GLN C C -0.835 -3.025 0.264 1.00 . A A . 14 GLN C 1 1 16 5251 1 1 14 GLN CA C -2.001 -2.727 -0.722 1.00 . A A . 14 GLN CA 1 1 16 5252 1 1 14 GLN CB C -1.611 -2.285 -2.160 1.00 . A A . 14 GLN CB 1 1 16 5253 1 1 14 GLN CD C -1.224 -4.409 -3.567 1.00 . A A . 14 GLN CD 1 1 16 5254 1 1 14 GLN CG C -2.104 -3.191 -3.296 1.00 . A A . 14 GLN CG 1 1 16 5255 1 1 14 GLN H H -2.415 -0.775 -0.069 1.00 . A A . 14 GLN H 1 1 16 5256 1 1 14 GLN HA H -2.579 -3.649 -0.788 1.00 . A A . 14 GLN HA 1 1 16 5257 1 1 14 GLN HB2 H -2.030 -1.296 -2.355 1.00 . A A . 14 GLN HB2 1 1 16 5258 1 1 14 GLN HB3 H -0.550 -2.146 -2.259 1.00 . A A . 14 GLN HB3 1 1 16 5259 1 1 14 GLN HE21 H 0.550 -3.464 -3.173 1.00 . A A . 14 GLN HE21 1 1 16 5260 1 1 14 GLN HE22 H 0.563 -5.154 -3.704 1.00 . A A . 14 GLN HE22 1 1 16 5261 1 1 14 GLN HG2 H -3.129 -3.510 -3.100 1.00 . A A . 14 GLN HG2 1 1 16 5262 1 1 14 GLN HG3 H -2.118 -2.596 -4.209 1.00 . A A . 14 GLN HG3 1 1 16 5263 1 1 14 GLN N N -2.875 -1.672 -0.212 1.00 . A A . 14 GLN N 1 1 16 5264 1 1 14 GLN NE2 N 0.086 -4.294 -3.510 1.00 . A A . 14 GLN NE2 1 1 16 5265 1 1 14 GLN O O -1.078 -3.585 1.335 1.00 . A A . 14 GLN O 1 1 16 5266 1 1 14 GLN OE1 O -1.693 -5.480 -3.908 1.00 . A A . 14 GLN OE1 1 1 16 5267 1 1 15 TYR C C 2.802 -2.178 0.711 1.00 . A A . 15 TYR C 1 1 16 5268 1 1 15 TYR CA C 1.646 -3.209 0.593 1.00 . A A . 15 TYR CA 1 1 16 5269 1 1 15 TYR CB C 2.099 -4.449 -0.202 1.00 . A A . 15 TYR CB 1 1 16 5270 1 1 15 TYR CD1 C 0.829 -6.175 1.194 1.00 . A A . 15 TYR CD1 1 1 16 5271 1 1 15 TYR CD2 C 1.071 -6.532 -1.199 1.00 . A A . 15 TYR CD2 1 1 16 5272 1 1 15 TYR CE1 C 0.117 -7.385 1.306 1.00 . A A . 15 TYR CE1 1 1 16 5273 1 1 15 TYR CE2 C 0.350 -7.736 -1.099 1.00 . A A . 15 TYR CE2 1 1 16 5274 1 1 15 TYR CG C 1.290 -5.730 -0.063 1.00 . A A . 15 TYR CG 1 1 16 5275 1 1 15 TYR CZ C -0.129 -8.163 0.154 1.00 . A A . 15 TYR CZ 1 1 16 5276 1 1 15 TYR H H 0.572 -2.175 -0.910 1.00 . A A . 15 TYR H 1 1 16 5277 1 1 15 TYR HA H 1.413 -3.523 1.608 1.00 . A A . 15 TYR HA 1 1 16 5278 1 1 15 TYR HB2 H 2.108 -4.164 -1.254 1.00 . A A . 15 TYR HB2 1 1 16 5279 1 1 15 TYR HB3 H 3.120 -4.696 0.077 1.00 . A A . 15 TYR HB3 1 1 16 5280 1 1 15 TYR HD1 H 1.019 -5.584 2.073 1.00 . A A . 15 TYR HD1 1 1 16 5281 1 1 15 TYR HD2 H 1.475 -6.226 -2.150 1.00 . A A . 15 TYR HD2 1 1 16 5282 1 1 15 TYR HE1 H -0.237 -7.713 2.268 1.00 . A A . 15 TYR HE1 1 1 16 5283 1 1 15 TYR HE2 H 0.168 -8.347 -1.970 1.00 . A A . 15 TYR HE2 1 1 16 5284 1 1 15 TYR HH H -1.017 -9.529 1.171 1.00 . A A . 15 TYR HH 1 1 16 5285 1 1 15 TYR N N 0.426 -2.683 -0.046 1.00 . A A . 15 TYR N 1 1 16 5286 1 1 15 TYR O O 3.535 -1.896 -0.236 1.00 . A A . 15 TYR O 1 1 16 5287 1 1 15 TYR OH O -0.802 -9.339 0.258 1.00 . A A . 15 TYR OH 1 1 16 5288 1 1 16 TRP C C 4.431 0.476 1.451 1.00 . A A . 16 TRP C 1 1 16 5289 1 1 16 TRP CA C 4.048 -0.713 2.362 1.00 . A A . 16 TRP CA 1 1 16 5290 1 1 16 TRP CB C 5.208 -1.621 2.786 1.00 . A A . 16 TRP CB 1 1 16 5291 1 1 16 TRP CD1 C 7.509 -0.610 3.088 1.00 . A A . 16 TRP CD1 1 1 16 5292 1 1 16 TRP CD2 C 6.440 -0.936 5.038 1.00 . A A . 16 TRP CD2 1 1 16 5293 1 1 16 TRP CE2 C 7.721 -0.404 5.355 1.00 . A A . 16 TRP CE2 1 1 16 5294 1 1 16 TRP CE3 C 5.596 -1.255 6.122 1.00 . A A . 16 TRP CE3 1 1 16 5295 1 1 16 TRP CG C 6.330 -1.041 3.587 1.00 . A A . 16 TRP CG 1 1 16 5296 1 1 16 TRP CH2 C 7.246 -0.447 7.731 1.00 . A A . 16 TRP CH2 1 1 16 5297 1 1 16 TRP CZ2 C 8.120 -0.138 6.674 1.00 . A A . 16 TRP CZ2 1 1 16 5298 1 1 16 TRP CZ3 C 5.991 -1.017 7.452 1.00 . A A . 16 TRP CZ3 1 1 16 5299 1 1 16 TRP H H 2.317 -1.888 2.628 1.00 . A A . 16 TRP H 1 1 16 5300 1 1 16 TRP HA H 3.708 -0.249 3.282 1.00 . A A . 16 TRP HA 1 1 16 5301 1 1 16 TRP HB2 H 4.788 -2.408 3.410 1.00 . A A . 16 TRP HB2 1 1 16 5302 1 1 16 TRP HB3 H 5.617 -2.100 1.902 1.00 . A A . 16 TRP HB3 1 1 16 5303 1 1 16 TRP HD1 H 7.759 -0.585 2.031 1.00 . A A . 16 TRP HD1 1 1 16 5304 1 1 16 TRP HE1 H 9.324 -0.045 3.994 1.00 . A A . 16 TRP HE1 1 1 16 5305 1 1 16 TRP HE3 H 4.647 -1.725 5.915 1.00 . A A . 16 TRP HE3 1 1 16 5306 1 1 16 TRP HH2 H 7.557 -0.312 8.758 1.00 . A A . 16 TRP HH2 1 1 16 5307 1 1 16 TRP HZ2 H 9.115 0.223 6.874 1.00 . A A . 16 TRP HZ2 1 1 16 5308 1 1 16 TRP HZ3 H 5.345 -1.319 8.265 1.00 . A A . 16 TRP HZ3 1 1 16 5309 1 1 16 TRP N N 2.953 -1.584 1.902 1.00 . A A . 16 TRP N 1 1 16 5310 1 1 16 TRP NE1 N 8.355 -0.296 4.133 1.00 . A A . 16 TRP NE1 1 1 16 5311 1 1 16 TRP O O 5.496 0.511 0.843 1.00 . A A . 16 TRP O 1 1 16 5312 1 1 17 ASP C C 5.122 3.631 1.413 1.00 . A A . 17 ASP C 1 1 16 5313 1 1 17 ASP CA C 3.857 2.889 0.891 1.00 . A A . 17 ASP CA 1 1 16 5314 1 1 17 ASP CB C 2.609 3.775 1.146 1.00 . A A . 17 ASP CB 1 1 16 5315 1 1 17 ASP CG C 1.547 3.692 0.046 1.00 . A A . 17 ASP CG 1 1 16 5316 1 1 17 ASP H H 2.743 1.415 1.973 1.00 . A A . 17 ASP H 1 1 16 5317 1 1 17 ASP HA H 3.993 2.786 -0.188 1.00 . A A . 17 ASP HA 1 1 16 5318 1 1 17 ASP HB2 H 2.176 3.514 2.114 1.00 . A A . 17 ASP HB2 1 1 16 5319 1 1 17 ASP HB3 H 2.890 4.825 1.216 1.00 . A A . 17 ASP HB3 1 1 16 5320 1 1 17 ASP N N 3.616 1.543 1.487 1.00 . A A . 17 ASP N 1 1 16 5321 1 1 17 ASP O O 5.356 4.804 1.114 1.00 . A A . 17 ASP O 1 1 16 5322 1 1 17 ASP OD1 O 1.912 3.667 -1.146 1.00 . A A . 17 ASP OD1 1 1 16 5323 1 1 17 ASP OD2 O 0.347 3.638 0.391 1.00 . A A . 17 ASP OD2 1 1 16 5324 1 1 18 GLN C C 8.230 3.897 1.969 1.00 . A A . 18 GLN C 1 1 16 5325 1 1 18 GLN CA C 7.056 3.653 2.934 1.00 . A A . 18 GLN CA 1 1 16 5326 1 1 18 GLN CB C 7.484 2.790 4.129 1.00 . A A . 18 GLN CB 1 1 16 5327 1 1 18 GLN CD C 9.321 3.472 5.753 1.00 . A A . 18 GLN CD 1 1 16 5328 1 1 18 GLN CG C 7.842 3.564 5.409 1.00 . A A . 18 GLN CG 1 1 16 5329 1 1 18 GLN H H 5.845 1.992 2.293 1.00 . A A . 18 GLN H 1 1 16 5330 1 1 18 GLN HA H 6.693 4.615 3.292 1.00 . A A . 18 GLN HA 1 1 16 5331 1 1 18 GLN HB2 H 6.671 2.109 4.383 1.00 . A A . 18 GLN HB2 1 1 16 5332 1 1 18 GLN HB3 H 8.334 2.189 3.820 1.00 . A A . 18 GLN HB3 1 1 16 5333 1 1 18 GLN HE21 H 8.974 2.330 7.374 1.00 . A A . 18 GLN HE21 1 1 16 5334 1 1 18 GLN HE22 H 10.654 2.734 7.043 1.00 . A A . 18 GLN HE22 1 1 16 5335 1 1 18 GLN HG2 H 7.566 4.613 5.316 1.00 . A A . 18 GLN HG2 1 1 16 5336 1 1 18 GLN HG3 H 7.265 3.145 6.234 1.00 . A A . 18 GLN HG3 1 1 16 5337 1 1 18 GLN N N 5.935 3.000 2.263 1.00 . A A . 18 GLN N 1 1 16 5338 1 1 18 GLN NE2 N 9.672 2.826 6.843 1.00 . A A . 18 GLN NE2 1 1 16 5339 1 1 18 GLN O O 8.546 3.071 1.121 1.00 . A A . 18 GLN O 1 1 16 5340 1 1 18 GLN OE1 O 10.174 4.018 5.067 1.00 . A A . 18 GLN OE1 1 1 16 5341 1 1 19 HIS C C 11.335 4.665 1.212 1.00 . A A . 19 HIS C 1 1 16 5342 1 1 19 HIS CA C 10.034 5.510 1.274 1.00 . A A . 19 HIS CA 1 1 16 5343 1 1 19 HIS CB C 10.338 6.977 1.653 1.00 . A A . 19 HIS CB 1 1 16 5344 1 1 19 HIS CD2 C 11.783 8.296 3.308 1.00 . A A . 19 HIS CD2 1 1 16 5345 1 1 19 HIS CE1 C 12.006 6.802 4.930 1.00 . A A . 19 HIS CE1 1 1 16 5346 1 1 19 HIS CG C 11.077 7.178 2.962 1.00 . A A . 19 HIS CG 1 1 16 5347 1 1 19 HIS H H 8.557 5.639 2.835 1.00 . A A . 19 HIS H 1 1 16 5348 1 1 19 HIS HA H 9.646 5.511 0.253 1.00 . A A . 19 HIS HA 1 1 16 5349 1 1 19 HIS HB2 H 10.950 7.405 0.856 1.00 . A A . 19 HIS HB2 1 1 16 5350 1 1 19 HIS HB3 H 9.407 7.546 1.675 1.00 . A A . 19 HIS HB3 1 1 16 5351 1 1 19 HIS HD1 H 10.837 5.306 4.032 1.00 . A A . 19 HIS HD1 1 1 16 5352 1 1 19 HIS HD2 H 11.888 9.187 2.697 1.00 . A A . 19 HIS HD2 1 1 16 5353 1 1 19 HIS HE1 H 12.298 6.295 5.847 1.00 . A A . 19 HIS HE1 1 1 16 5354 1 1 19 HIS HE2 H 12.948 8.687 5.064 1.00 . A A . 19 HIS HE2 1 1 16 5355 1 1 19 HIS N N 8.942 5.017 2.144 1.00 . A A . 19 HIS N 1 1 16 5356 1 1 19 HIS ND1 N 11.229 6.254 3.981 1.00 . A A . 19 HIS ND1 1 1 16 5357 1 1 19 HIS NE2 N 12.354 8.048 4.546 1.00 . A A . 19 HIS NE2 1 1 16 5358 1 1 19 HIS O O 12.412 5.241 1.060 1.00 . A A . 19 HIS O 1 1 16 5359 1 1 20 ALA C C 12.237 1.231 0.550 1.00 . A A . 20 ALA C 1 1 16 5360 1 1 20 ALA CA C 12.446 2.459 1.459 1.00 . A A . 20 ALA CA 1 1 16 5361 1 1 20 ALA CB C 12.654 2.056 2.924 1.00 . A A . 20 ALA CB 1 1 16 5362 1 1 20 ALA H H 10.371 2.906 1.370 1.00 . A A . 20 ALA H 1 1 16 5363 1 1 20 ALA HA H 13.330 2.994 1.116 1.00 . A A . 20 ALA HA 1 1 16 5364 1 1 20 ALA HB1 H 11.790 1.493 3.278 1.00 . A A . 20 ALA HB1 1 1 16 5365 1 1 20 ALA HB2 H 13.539 1.429 3.021 1.00 . A A . 20 ALA HB2 1 1 16 5366 1 1 20 ALA HB3 H 12.781 2.944 3.543 1.00 . A A . 20 ALA HB3 1 1 16 5367 1 1 20 ALA N N 11.286 3.349 1.406 1.00 . A A . 20 ALA N 1 1 16 5368 1 1 20 ALA O O 11.093 0.821 0.365 1.00 . A A . 20 ALA O 1 1 16 5369 1 1 21 PRO C C 12.727 -1.809 -0.169 1.00 . A A . 21 PRO C 1 1 16 5370 1 1 21 PRO CA C 13.183 -0.533 -0.895 1.00 . A A . 21 PRO CA 1 1 16 5371 1 1 21 PRO CB C 14.575 -0.708 -1.512 1.00 . A A . 21 PRO CB 1 1 16 5372 1 1 21 PRO CD C 14.707 0.989 0.170 1.00 . A A . 21 PRO CD 1 1 16 5373 1 1 21 PRO CG C 15.514 -0.157 -0.439 1.00 . A A . 21 PRO CG 1 1 16 5374 1 1 21 PRO HA H 12.462 -0.320 -1.685 1.00 . A A . 21 PRO HA 1 1 16 5375 1 1 21 PRO HB2 H 14.797 -1.751 -1.745 1.00 . A A . 21 PRO HB2 1 1 16 5376 1 1 21 PRO HB3 H 14.653 -0.095 -2.411 1.00 . A A . 21 PRO HB3 1 1 16 5377 1 1 21 PRO HD2 H 14.968 1.111 1.222 1.00 . A A . 21 PRO HD2 1 1 16 5378 1 1 21 PRO HD3 H 14.906 1.911 -0.376 1.00 . A A . 21 PRO HD3 1 1 16 5379 1 1 21 PRO HG2 H 15.697 -0.920 0.319 1.00 . A A . 21 PRO HG2 1 1 16 5380 1 1 21 PRO HG3 H 16.456 0.195 -0.862 1.00 . A A . 21 PRO HG3 1 1 16 5381 1 1 21 PRO N N 13.307 0.622 0.000 1.00 . A A . 21 PRO N 1 1 16 5382 1 1 21 PRO O O 12.090 -2.666 -0.772 1.00 . A A . 21 PRO O 1 1 16 5383 1 1 22 LEU C C 12.607 -2.351 3.500 1.00 . A A . 22 LEU C 1 1 16 5384 1 1 22 LEU CA C 12.587 -2.923 2.074 1.00 . A A . 22 LEU CA 1 1 16 5385 1 1 22 LEU CB C 13.400 -4.225 1.923 1.00 . A A . 22 LEU CB 1 1 16 5386 1 1 22 LEU CD1 C 15.277 -4.780 3.556 1.00 . A A . 22 LEU CD1 1 1 16 5387 1 1 22 LEU CD2 C 15.754 -4.678 1.123 1.00 . A A . 22 LEU CD2 1 1 16 5388 1 1 22 LEU CG C 14.905 -4.084 2.248 1.00 . A A . 22 LEU CG 1 1 16 5389 1 1 22 LEU H H 13.550 -1.145 1.541 1.00 . A A . 22 LEU H 1 1 16 5390 1 1 22 LEU HA H 11.551 -3.148 1.844 1.00 . A A . 22 LEU HA 1 1 16 5391 1 1 22 LEU HB2 H 12.958 -4.999 2.556 1.00 . A A . 22 LEU HB2 1 1 16 5392 1 1 22 LEU HB3 H 13.276 -4.571 0.896 1.00 . A A . 22 LEU HB3 1 1 16 5393 1 1 22 LEU HD11 H 14.706 -4.362 4.385 1.00 . A A . 22 LEU HD11 1 1 16 5394 1 1 22 LEU HD12 H 16.340 -4.663 3.761 1.00 . A A . 22 LEU HD12 1 1 16 5395 1 1 22 LEU HD13 H 15.041 -5.846 3.494 1.00 . A A . 22 LEU HD13 1 1 16 5396 1 1 22 LEU HD21 H 15.523 -4.175 0.185 1.00 . A A . 22 LEU HD21 1 1 16 5397 1 1 22 LEU HD22 H 15.533 -5.742 1.028 1.00 . A A . 22 LEU HD22 1 1 16 5398 1 1 22 LEU HD23 H 16.810 -4.548 1.354 1.00 . A A . 22 LEU HD23 1 1 16 5399 1 1 22 LEU HG H 15.170 -3.029 2.340 1.00 . A A . 22 LEU HG 1 1 16 5400 1 1 22 LEU N N 13.055 -1.917 1.121 1.00 . A A . 22 LEU N 1 1 16 5401 1 1 22 LEU O O 13.063 -1.221 3.711 1.00 . A A . 22 LEU O 1 1 16 5402 1 1 23 ALA C C 11.992 -3.965 6.832 1.00 . A A . 23 ALA C 1 1 16 5403 1 1 23 ALA CA C 12.006 -2.753 5.878 1.00 . A A . 23 ALA CA 1 1 16 5404 1 1 23 ALA CB C 10.745 -1.909 6.077 1.00 . A A . 23 ALA CB 1 1 16 5405 1 1 23 ALA H H 11.761 -4.036 4.195 1.00 . A A . 23 ALA H 1 1 16 5406 1 1 23 ALA HA H 12.876 -2.153 6.145 1.00 . A A . 23 ALA HA 1 1 16 5407 1 1 23 ALA HB1 H 9.864 -2.498 5.817 1.00 . A A . 23 ALA HB1 1 1 16 5408 1 1 23 ALA HB2 H 10.671 -1.612 7.124 1.00 . A A . 23 ALA HB2 1 1 16 5409 1 1 23 ALA HB3 H 10.797 -1.019 5.452 1.00 . A A . 23 ALA HB3 1 1 16 5410 1 1 23 ALA N N 12.081 -3.112 4.457 1.00 . A A . 23 ALA N 1 1 16 5411 1 1 23 ALA O O 11.957 -3.771 8.046 1.00 . A A . 23 ALA O 1 1 16 5412 1 1 24 ASP C C 12.909 -7.358 5.886 1.00 . A A . 24 ASP C 1 1 16 5413 1 1 24 ASP CA C 11.996 -6.523 6.812 1.00 . A A . 24 ASP CA 1 1 16 5414 1 1 24 ASP CB C 10.525 -7.018 6.833 1.00 . A A . 24 ASP CB 1 1 16 5415 1 1 24 ASP CG C 10.194 -8.183 7.789 1.00 . A A . 24 ASP CG 1 1 16 5416 1 1 24 ASP H H 12.200 -5.278 5.270 1.00 . A A . 24 ASP H 1 1 16 5417 1 1 24 ASP HA H 12.402 -6.539 7.824 1.00 . A A . 24 ASP HA 1 1 16 5418 1 1 24 ASP HB2 H 9.886 -6.184 7.132 1.00 . A A . 24 ASP HB2 1 1 16 5419 1 1 24 ASP HB3 H 10.231 -7.285 5.816 1.00 . A A . 24 ASP HB3 1 1 16 5420 1 1 24 ASP N N 12.011 -5.167 6.258 1.00 . A A . 24 ASP N 1 1 16 5421 1 1 24 ASP O O 12.912 -7.014 4.673 1.00 . A A . 24 ASP O 1 1 16 5422 1 1 24 ASP OXT O 13.698 -8.182 6.394 1.00 . A A . 24 ASP OXT 1 1 16 5423 1 1 24 ASP OD1 O 10.508 -8.070 8.998 1.00 . A A . 24 ASP OD1 1 1 16 5424 1 1 24 ASP OD2 O 9.485 -9.118 7.341 1.00 . A A . 24 ASP OD2 1 1 17 5425 1 1 1 GLY C C 1.962 -0.001 -1.885 1.00 . A A . 1 GLY C 1 1 17 5426 1 1 1 GLY CA C 1.142 1.119 -1.200 1.00 . A A . 1 GLY CA 1 1 17 5427 1 1 1 GLY H1 H 0.972 2.065 0.633 1.00 . A A . 1 GLY H1 1 1 17 5428 1 1 1 GLY HA2 H 0.183 1.108 -1.701 1.00 . A A . 1 GLY HA2 1 1 17 5429 1 1 1 GLY HA3 H 1.596 2.076 -1.455 1.00 . A A . 1 GLY HA3 1 1 17 5430 1 1 1 GLY N N 0.897 1.127 0.265 1.00 . A A . 1 GLY N 1 1 17 5431 1 1 1 GLY O O 1.936 -1.156 -1.467 1.00 . A A . 1 GLY O 1 1 17 5432 1 1 2 PRO C C 4.620 -1.121 -3.509 1.00 . A A . 2 PRO C 1 1 17 5433 1 1 2 PRO CA C 3.169 -0.784 -3.914 1.00 . A A . 2 PRO CA 1 1 17 5434 1 1 2 PRO CB C 3.069 -0.253 -5.346 1.00 . A A . 2 PRO CB 1 1 17 5435 1 1 2 PRO CD C 2.451 1.505 -3.829 1.00 . A A . 2 PRO CD 1 1 17 5436 1 1 2 PRO CG C 3.162 1.261 -5.164 1.00 . A A . 2 PRO CG 1 1 17 5437 1 1 2 PRO HA H 2.590 -1.703 -3.861 1.00 . A A . 2 PRO HA 1 1 17 5438 1 1 2 PRO HB2 H 3.864 -0.640 -5.985 1.00 . A A . 2 PRO HB2 1 1 17 5439 1 1 2 PRO HB3 H 2.095 -0.516 -5.760 1.00 . A A . 2 PRO HB3 1 1 17 5440 1 1 2 PRO HD2 H 2.940 2.321 -3.293 1.00 . A A . 2 PRO HD2 1 1 17 5441 1 1 2 PRO HD3 H 1.403 1.753 -4.012 1.00 . A A . 2 PRO HD3 1 1 17 5442 1 1 2 PRO HG2 H 4.209 1.553 -5.082 1.00 . A A . 2 PRO HG2 1 1 17 5443 1 1 2 PRO HG3 H 2.685 1.794 -5.987 1.00 . A A . 2 PRO HG3 1 1 17 5444 1 1 2 PRO N N 2.537 0.251 -3.083 1.00 . A A . 2 PRO N 1 1 17 5445 1 1 2 PRO O O 5.571 -0.480 -3.952 1.00 . A A . 2 PRO O 1 1 17 5446 1 1 3 THR C C 5.854 -4.298 -2.053 1.00 . A A . 3 THR C 1 1 17 5447 1 1 3 THR CA C 6.095 -2.785 -2.309 1.00 . A A . 3 THR CA 1 1 17 5448 1 1 3 THR CB C 6.633 -1.981 -1.097 1.00 . A A . 3 THR CB 1 1 17 5449 1 1 3 THR CG2 C 7.732 -2.544 -0.188 1.00 . A A . 3 THR CG2 1 1 17 5450 1 1 3 THR H H 3.995 -2.604 -2.287 1.00 . A A . 3 THR H 1 1 17 5451 1 1 3 THR HA H 6.808 -2.697 -3.127 1.00 . A A . 3 THR HA 1 1 17 5452 1 1 3 THR HB H 5.785 -1.730 -0.472 1.00 . A A . 3 THR HB 1 1 17 5453 1 1 3 THR HG1 H 6.534 -0.404 -2.210 1.00 . A A . 3 THR HG1 1 1 17 5454 1 1 3 THR HG21 H 8.680 -2.621 -0.718 1.00 . A A . 3 THR HG21 1 1 17 5455 1 1 3 THR HG22 H 7.433 -3.501 0.230 1.00 . A A . 3 THR HG22 1 1 17 5456 1 1 3 THR HG23 H 7.900 -1.857 0.638 1.00 . A A . 3 THR HG23 1 1 17 5457 1 1 3 THR N N 4.808 -2.166 -2.702 1.00 . A A . 3 THR N 1 1 17 5458 1 1 3 THR O O 4.717 -4.754 -2.174 1.00 . A A . 3 THR O 1 1 17 5459 1 1 3 THR OG1 O 7.176 -0.778 -1.587 1.00 . A A . 3 THR OG1 1 1 17 5460 1 1 4 PRO C C 6.400 -6.753 0.163 1.00 . A A . 4 PRO C 1 1 17 5461 1 1 4 PRO CA C 6.709 -6.532 -1.342 1.00 . A A . 4 PRO CA 1 1 17 5462 1 1 4 PRO CB C 8.023 -7.232 -1.744 1.00 . A A . 4 PRO CB 1 1 17 5463 1 1 4 PRO CD C 8.211 -4.980 -2.372 1.00 . A A . 4 PRO CD 1 1 17 5464 1 1 4 PRO CG C 9.047 -6.103 -1.777 1.00 . A A . 4 PRO CG 1 1 17 5465 1 1 4 PRO HA H 5.893 -7.000 -1.893 1.00 . A A . 4 PRO HA 1 1 17 5466 1 1 4 PRO HB2 H 8.328 -8.019 -1.053 1.00 . A A . 4 PRO HB2 1 1 17 5467 1 1 4 PRO HB3 H 7.916 -7.648 -2.746 1.00 . A A . 4 PRO HB3 1 1 17 5468 1 1 4 PRO HD2 H 8.664 -4.016 -2.175 1.00 . A A . 4 PRO HD2 1 1 17 5469 1 1 4 PRO HD3 H 8.148 -5.122 -3.451 1.00 . A A . 4 PRO HD3 1 1 17 5470 1 1 4 PRO HG2 H 9.358 -5.845 -0.763 1.00 . A A . 4 PRO HG2 1 1 17 5471 1 1 4 PRO HG3 H 9.908 -6.349 -2.400 1.00 . A A . 4 PRO HG3 1 1 17 5472 1 1 4 PRO N N 6.877 -5.139 -1.804 1.00 . A A . 4 PRO N 1 1 17 5473 1 1 4 PRO O O 6.515 -7.888 0.618 1.00 . A A . 4 PRO O 1 1 17 5474 1 1 5 MET C C 4.604 -5.584 3.014 1.00 . A A . 5 MET C 1 1 17 5475 1 1 5 MET CA C 6.022 -5.821 2.445 1.00 . A A . 5 MET CA 1 1 17 5476 1 1 5 MET CB C 7.109 -4.882 3.013 1.00 . A A . 5 MET CB 1 1 17 5477 1 1 5 MET CE C 9.848 -6.852 3.580 1.00 . A A . 5 MET CE 1 1 17 5478 1 1 5 MET CG C 7.644 -5.282 4.395 1.00 . A A . 5 MET CG 1 1 17 5479 1 1 5 MET H H 5.726 -4.878 0.535 1.00 . A A . 5 MET H 1 1 17 5480 1 1 5 MET HA H 6.291 -6.839 2.728 1.00 . A A . 5 MET HA 1 1 17 5481 1 1 5 MET HB2 H 7.962 -4.878 2.335 1.00 . A A . 5 MET HB2 1 1 17 5482 1 1 5 MET HB3 H 6.727 -3.864 3.061 1.00 . A A . 5 MET HB3 1 1 17 5483 1 1 5 MET HE1 H 10.505 -6.116 4.039 1.00 . A A . 5 MET HE1 1 1 17 5484 1 1 5 MET HE2 H 10.360 -7.817 3.583 1.00 . A A . 5 MET HE2 1 1 17 5485 1 1 5 MET HE3 H 9.648 -6.570 2.547 1.00 . A A . 5 MET HE3 1 1 17 5486 1 1 5 MET HG2 H 8.443 -4.592 4.667 1.00 . A A . 5 MET HG2 1 1 17 5487 1 1 5 MET HG3 H 6.848 -5.172 5.131 1.00 . A A . 5 MET HG3 1 1 17 5488 1 1 5 MET N N 6.054 -5.734 0.964 1.00 . A A . 5 MET N 1 1 17 5489 1 1 5 MET O O 3.663 -5.425 2.254 1.00 . A A . 5 MET O 1 1 17 5490 1 1 5 MET SD S 8.297 -6.970 4.525 1.00 . A A . 5 MET SD 1 1 17 5491 1 1 6 VAL C C 2.870 -4.409 5.981 1.00 . A A . 6 VAL C 1 1 17 5492 1 1 6 VAL CA C 2.997 -5.464 4.883 1.00 . A A . 6 VAL CA 1 1 17 5493 1 1 6 VAL CB C 2.450 -6.842 5.297 1.00 . A A . 6 VAL CB 1 1 17 5494 1 1 6 VAL CG1 C 3.141 -7.440 6.528 1.00 . A A . 6 VAL CG1 1 1 17 5495 1 1 6 VAL CG2 C 0.933 -6.782 5.527 1.00 . A A . 6 VAL CG2 1 1 17 5496 1 1 6 VAL H H 5.140 -5.714 4.971 1.00 . A A . 6 VAL H 1 1 17 5497 1 1 6 VAL HA H 2.339 -5.122 4.086 1.00 . A A . 6 VAL HA 1 1 17 5498 1 1 6 VAL HB H 2.619 -7.524 4.464 1.00 . A A . 6 VAL HB 1 1 17 5499 1 1 6 VAL HG11 H 2.968 -6.824 7.410 1.00 . A A . 6 VAL HG11 1 1 17 5500 1 1 6 VAL HG12 H 2.757 -8.442 6.711 1.00 . A A . 6 VAL HG12 1 1 17 5501 1 1 6 VAL HG13 H 4.214 -7.511 6.348 1.00 . A A . 6 VAL HG13 1 1 17 5502 1 1 6 VAL HG21 H 0.444 -6.369 4.643 1.00 . A A . 6 VAL HG21 1 1 17 5503 1 1 6 VAL HG22 H 0.548 -7.788 5.689 1.00 . A A . 6 VAL HG22 1 1 17 5504 1 1 6 VAL HG23 H 0.696 -6.168 6.395 1.00 . A A . 6 VAL HG23 1 1 17 5505 1 1 6 VAL N N 4.369 -5.584 4.333 1.00 . A A . 6 VAL N 1 1 17 5506 1 1 6 VAL O O 3.719 -4.286 6.859 1.00 . A A . 6 VAL O 1 1 17 5507 1 1 7 GLY C C 1.606 -1.137 5.972 1.00 . A A . 7 GLY C 1 1 17 5508 1 1 7 GLY CA C 1.541 -2.452 6.757 1.00 . A A . 7 GLY CA 1 1 17 5509 1 1 7 GLY H H 1.202 -3.754 5.108 1.00 . A A . 7 GLY H 1 1 17 5510 1 1 7 GLY HA2 H 0.550 -2.542 7.201 1.00 . A A . 7 GLY HA2 1 1 17 5511 1 1 7 GLY HA3 H 2.274 -2.410 7.563 1.00 . A A . 7 GLY HA3 1 1 17 5512 1 1 7 GLY N N 1.793 -3.624 5.914 1.00 . A A . 7 GLY N 1 1 17 5513 1 1 7 GLY O O 1.605 -1.121 4.743 1.00 . A A . 7 GLY O 1 1 17 5514 1 1 8 LEU C C 0.645 1.898 5.385 1.00 . A A . 8 LEU C 1 1 17 5515 1 1 8 LEU CA C 1.811 1.359 6.232 1.00 . A A . 8 LEU CA 1 1 17 5516 1 1 8 LEU CB C 3.188 1.538 5.546 1.00 . A A . 8 LEU CB 1 1 17 5517 1 1 8 LEU CD1 C 3.025 4.121 5.511 1.00 . A A . 8 LEU CD1 1 1 17 5518 1 1 8 LEU CD2 C 4.490 2.974 7.166 1.00 . A A . 8 LEU CD2 1 1 17 5519 1 1 8 LEU CG C 3.899 2.891 5.756 1.00 . A A . 8 LEU CG 1 1 17 5520 1 1 8 LEU H H 1.657 -0.156 7.707 1.00 . A A . 8 LEU H 1 1 17 5521 1 1 8 LEU HA H 1.819 1.980 7.126 1.00 . A A . 8 LEU HA 1 1 17 5522 1 1 8 LEU HB2 H 3.864 0.762 5.903 1.00 . A A . 8 LEU HB2 1 1 17 5523 1 1 8 LEU HB3 H 3.072 1.371 4.478 1.00 . A A . 8 LEU HB3 1 1 17 5524 1 1 8 LEU HD11 H 2.575 4.069 4.518 1.00 . A A . 8 LEU HD11 1 1 17 5525 1 1 8 LEU HD12 H 3.635 5.023 5.566 1.00 . A A . 8 LEU HD12 1 1 17 5526 1 1 8 LEU HD13 H 2.232 4.190 6.258 1.00 . A A . 8 LEU HD13 1 1 17 5527 1 1 8 LEU HD21 H 3.702 2.907 7.914 1.00 . A A . 8 LEU HD21 1 1 17 5528 1 1 8 LEU HD22 H 5.016 3.919 7.292 1.00 . A A . 8 LEU HD22 1 1 17 5529 1 1 8 LEU HD23 H 5.187 2.150 7.316 1.00 . A A . 8 LEU HD23 1 1 17 5530 1 1 8 LEU HG H 4.729 2.937 5.051 1.00 . A A . 8 LEU HG 1 1 17 5531 1 1 8 LEU N N 1.656 -0.023 6.708 1.00 . A A . 8 LEU N 1 1 17 5532 1 1 8 LEU O O 0.000 2.839 5.842 1.00 . A A . 8 LEU O 1 1 17 5533 1 1 9 ASP C C -1.489 2.890 3.517 1.00 . A A . 9 ASP C 1 1 17 5534 1 1 9 ASP CA C -0.330 1.986 3.068 1.00 . A A . 9 ASP CA 1 1 17 5535 1 1 9 ASP CB C -0.874 0.972 2.037 1.00 . A A . 9 ASP CB 1 1 17 5536 1 1 9 ASP CG C 0.068 0.363 0.977 1.00 . A A . 9 ASP CG 1 1 17 5537 1 1 9 ASP H H 0.898 0.479 4.001 1.00 . A A . 9 ASP H 1 1 17 5538 1 1 9 ASP HA H 0.356 2.642 2.555 1.00 . A A . 9 ASP HA 1 1 17 5539 1 1 9 ASP HB2 H -1.372 0.172 2.587 1.00 . A A . 9 ASP HB2 1 1 17 5540 1 1 9 ASP HB3 H -1.650 1.480 1.466 1.00 . A A . 9 ASP HB3 1 1 17 5541 1 1 9 ASP N N 0.397 1.343 4.185 1.00 . A A . 9 ASP N 1 1 17 5542 1 1 9 ASP O O -1.501 4.082 3.228 1.00 . A A . 9 ASP O 1 1 17 5543 1 1 9 ASP OD1 O 0.080 -0.884 0.919 1.00 . A A . 9 ASP OD1 1 1 17 5544 1 1 10 SER C C -4.618 3.665 3.753 1.00 . A A . 10 SER C 1 1 17 5545 1 1 10 SER CA C -3.686 2.980 4.772 1.00 . A A . 10 SER CA 1 1 17 5546 1 1 10 SER CB C -3.306 4.001 5.855 1.00 . A A . 10 SER CB 1 1 17 5547 1 1 10 SER H H -2.335 1.355 4.456 1.00 . A A . 10 SER H 1 1 17 5548 1 1 10 SER HA H -4.280 2.208 5.265 1.00 . A A . 10 SER HA 1 1 17 5549 1 1 10 SER HB2 H -2.769 4.842 5.409 1.00 . A A . 10 SER HB2 1 1 17 5550 1 1 10 SER HB3 H -4.220 4.374 6.319 1.00 . A A . 10 SER HB3 1 1 17 5551 1 1 10 SER HG H -1.619 3.250 6.458 1.00 . A A . 10 SER HG 1 1 17 5552 1 1 10 SER N N -2.477 2.324 4.222 1.00 . A A . 10 SER N 1 1 17 5553 1 1 10 SER O O -5.787 3.892 4.055 1.00 . A A . 10 SER O 1 1 17 5554 1 1 10 SER OG O -2.500 3.399 6.850 1.00 . A A . 10 SER OG 1 1 17 5555 1 1 11 VAL C C -4.527 4.004 0.147 1.00 . A A . 11 VAL C 1 1 17 5556 1 1 11 VAL CA C -4.791 4.710 1.474 1.00 . A A . 11 VAL CA 1 1 17 5557 1 1 11 VAL CB C -4.315 6.177 1.422 1.00 . A A . 11 VAL CB 1 1 17 5558 1 1 11 VAL CG1 C -5.201 6.981 0.466 1.00 . A A . 11 VAL CG1 1 1 17 5559 1 1 11 VAL CG2 C -4.354 6.865 2.794 1.00 . A A . 11 VAL CG2 1 1 17 5560 1 1 11 VAL H H -3.125 3.831 2.467 1.00 . A A . 11 VAL H 1 1 17 5561 1 1 11 VAL HA H -5.869 4.703 1.647 1.00 . A A . 11 VAL HA 1 1 17 5562 1 1 11 VAL HB H -3.287 6.214 1.060 1.00 . A A . 11 VAL HB 1 1 17 5563 1 1 11 VAL HG11 H -4.822 7.998 0.376 1.00 . A A . 11 VAL HG11 1 1 17 5564 1 1 11 VAL HG12 H -5.199 6.525 -0.523 1.00 . A A . 11 VAL HG12 1 1 17 5565 1 1 11 VAL HG13 H -6.223 7.008 0.843 1.00 . A A . 11 VAL HG13 1 1 17 5566 1 1 11 VAL HG21 H -3.628 6.399 3.463 1.00 . A A . 11 VAL HG21 1 1 17 5567 1 1 11 VAL HG22 H -4.084 7.916 2.691 1.00 . A A . 11 VAL HG22 1 1 17 5568 1 1 11 VAL HG23 H -5.351 6.779 3.227 1.00 . A A . 11 VAL HG23 1 1 17 5569 1 1 11 VAL N N -4.126 3.967 2.549 1.00 . A A . 11 VAL N 1 1 17 5570 1 1 11 VAL O O -5.461 3.501 -0.467 1.00 . A A . 11 VAL O 1 1 17 5571 1 1 12 SER C C -2.881 1.545 -1.177 1.00 . A A . 12 SER C 1 1 17 5572 1 1 12 SER CA C -2.865 3.072 -1.439 1.00 . A A . 12 SER CA 1 1 17 5573 1 1 12 SER CB C -1.502 3.552 -1.967 1.00 . A A . 12 SER CB 1 1 17 5574 1 1 12 SER H H -2.520 4.276 0.297 1.00 . A A . 12 SER H 1 1 17 5575 1 1 12 SER HA H -3.593 3.261 -2.229 1.00 . A A . 12 SER HA 1 1 17 5576 1 1 12 SER HB2 H -1.502 4.636 -2.093 1.00 . A A . 12 SER HB2 1 1 17 5577 1 1 12 SER HB3 H -0.715 3.272 -1.271 1.00 . A A . 12 SER HB3 1 1 17 5578 1 1 12 SER HG H -1.382 1.989 -3.063 1.00 . A A . 12 SER HG 1 1 17 5579 1 1 12 SER N N -3.260 3.866 -0.262 1.00 . A A . 12 SER N 1 1 17 5580 1 1 12 SER O O -2.111 0.808 -1.786 1.00 . A A . 12 SER O 1 1 17 5581 1 1 12 SER OG O -1.272 2.940 -3.219 1.00 . A A . 12 SER OG 1 1 17 5582 1 1 13 GLY C C -3.435 -1.441 -0.602 1.00 . A A . 13 GLY C 1 1 17 5583 1 1 13 GLY CA C -3.843 -0.282 0.308 1.00 . A A . 13 GLY CA 1 1 17 5584 1 1 13 GLY H H -4.409 1.754 0.064 1.00 . A A . 13 GLY H 1 1 17 5585 1 1 13 GLY HA2 H -3.259 -0.347 1.224 1.00 . A A . 13 GLY HA2 1 1 17 5586 1 1 13 GLY HA3 H -4.886 -0.451 0.566 1.00 . A A . 13 GLY HA3 1 1 17 5587 1 1 13 GLY N N -3.725 1.078 -0.247 1.00 . A A . 13 GLY N 1 1 17 5588 1 1 13 GLY O O -4.269 -1.936 -1.358 1.00 . A A . 13 GLY O 1 1 17 5589 1 1 14 GLN C C -0.624 -3.780 -0.441 1.00 . A A . 14 GLN C 1 1 17 5590 1 1 14 GLN CA C -1.636 -2.986 -1.298 1.00 . A A . 14 GLN CA 1 1 17 5591 1 1 14 GLN CB C -1.134 -2.415 -2.648 1.00 . A A . 14 GLN CB 1 1 17 5592 1 1 14 GLN CD C 0.018 -4.393 -3.879 1.00 . A A . 14 GLN CD 1 1 17 5593 1 1 14 GLN CG C -1.125 -3.386 -3.842 1.00 . A A . 14 GLN CG 1 1 17 5594 1 1 14 GLN H H -1.536 -1.439 0.141 1.00 . A A . 14 GLN H 1 1 17 5595 1 1 14 GLN HA H -2.458 -3.670 -1.512 1.00 . A A . 14 GLN HA 1 1 17 5596 1 1 14 GLN HB2 H -1.815 -1.614 -2.947 1.00 . A A . 14 GLN HB2 1 1 17 5597 1 1 14 GLN HB3 H -0.159 -1.953 -2.534 1.00 . A A . 14 GLN HB3 1 1 17 5598 1 1 14 GLN HE21 H 1.393 -3.117 -3.101 1.00 . A A . 14 GLN HE21 1 1 17 5599 1 1 14 GLN HE22 H 1.917 -4.747 -3.515 1.00 . A A . 14 GLN HE22 1 1 17 5600 1 1 14 GLN HG2 H -2.080 -3.912 -3.891 1.00 . A A . 14 GLN HG2 1 1 17 5601 1 1 14 GLN HG3 H -1.042 -2.792 -4.753 1.00 . A A . 14 GLN HG3 1 1 17 5602 1 1 14 GLN N N -2.178 -1.882 -0.510 1.00 . A A . 14 GLN N 1 1 17 5603 1 1 14 GLN NE2 N 1.230 -4.010 -3.535 1.00 . A A . 14 GLN NE2 1 1 17 5604 1 1 14 GLN O O -1.054 -4.695 0.256 1.00 . A A . 14 GLN O 1 1 17 5605 1 1 14 GLN OE1 O -0.151 -5.528 -4.289 1.00 . A A . 14 GLN OE1 1 1 17 5606 1 1 15 TYR C C 2.954 -3.066 0.591 1.00 . A A . 15 TYR C 1 1 17 5607 1 1 15 TYR CA C 1.766 -4.042 0.314 1.00 . A A . 15 TYR CA 1 1 17 5608 1 1 15 TYR CB C 2.198 -5.339 -0.420 1.00 . A A . 15 TYR CB 1 1 17 5609 1 1 15 TYR CD1 C 1.047 -7.096 1.024 1.00 . A A . 15 TYR CD1 1 1 17 5610 1 1 15 TYR CD2 C 0.664 -7.116 -1.381 1.00 . A A . 15 TYR CD2 1 1 17 5611 1 1 15 TYR CE1 C 0.183 -8.199 1.174 1.00 . A A . 15 TYR CE1 1 1 17 5612 1 1 15 TYR CE2 C -0.210 -8.208 -1.238 1.00 . A A . 15 TYR CE2 1 1 17 5613 1 1 15 TYR CG C 1.281 -6.542 -0.252 1.00 . A A . 15 TYR CG 1 1 17 5614 1 1 15 TYR CZ C -0.453 -8.749 0.043 1.00 . A A . 15 TYR CZ 1 1 17 5615 1 1 15 TYR H H 0.895 -2.541 -0.895 1.00 . A A . 15 TYR H 1 1 17 5616 1 1 15 TYR HA H 1.389 -4.337 1.292 1.00 . A A . 15 TYR HA 1 1 17 5617 1 1 15 TYR HB2 H 2.308 -5.120 -1.477 1.00 . A A . 15 TYR HB2 1 1 17 5618 1 1 15 TYR HB3 H 3.181 -5.660 -0.086 1.00 . A A . 15 TYR HB3 1 1 17 5619 1 1 15 TYR HD1 H 1.527 -6.667 1.891 1.00 . A A . 15 TYR HD1 1 1 17 5620 1 1 15 TYR HD2 H 0.859 -6.711 -2.361 1.00 . A A . 15 TYR HD2 1 1 17 5621 1 1 15 TYR HE1 H -0.008 -8.624 2.146 1.00 . A A . 15 TYR HE1 1 1 17 5622 1 1 15 TYR HE2 H -0.694 -8.615 -2.110 1.00 . A A . 15 TYR HE2 1 1 17 5623 1 1 15 TYR HH H -1.680 -10.017 -0.672 1.00 . A A . 15 TYR HH 1 1 17 5624 1 1 15 TYR N N 0.664 -3.412 -0.433 1.00 . A A . 15 TYR N 1 1 17 5625 1 1 15 TYR O O 4.092 -3.361 0.226 1.00 . A A . 15 TYR O 1 1 17 5626 1 1 15 TYR OH O -1.301 -9.803 0.179 1.00 . A A . 15 TYR OH 1 1 17 5627 1 1 16 TRP C C 3.953 0.324 1.060 1.00 . A A . 16 TRP C 1 1 17 5628 1 1 16 TRP CA C 3.617 -0.938 1.902 1.00 . A A . 16 TRP CA 1 1 17 5629 1 1 16 TRP CB C 4.885 -1.645 2.415 1.00 . A A . 16 TRP CB 1 1 17 5630 1 1 16 TRP CD1 C 6.953 -0.253 2.812 1.00 . A A . 16 TRP CD1 1 1 17 5631 1 1 16 TRP CD2 C 6.013 -0.985 4.720 1.00 . A A . 16 TRP CD2 1 1 17 5632 1 1 16 TRP CE2 C 7.241 -0.361 5.079 1.00 . A A . 16 TRP CE2 1 1 17 5633 1 1 16 TRP CE3 C 5.258 -1.568 5.759 1.00 . A A . 16 TRP CE3 1 1 17 5634 1 1 16 TRP CG C 5.868 -0.917 3.272 1.00 . A A . 16 TRP CG 1 1 17 5635 1 1 16 TRP CH2 C 6.905 -0.883 7.425 1.00 . A A . 16 TRP CH2 1 1 17 5636 1 1 16 TRP CZ2 C 7.684 -0.303 6.410 1.00 . A A . 16 TRP CZ2 1 1 17 5637 1 1 16 TRP CZ3 C 5.695 -1.522 7.098 1.00 . A A . 16 TRP CZ3 1 1 17 5638 1 1 16 TRP H H 1.701 -1.719 1.309 1.00 . A A . 16 TRP H 1 1 17 5639 1 1 16 TRP HA H 3.087 -0.582 2.781 1.00 . A A . 16 TRP HA 1 1 17 5640 1 1 16 TRP HB2 H 4.565 -2.528 2.971 1.00 . A A . 16 TRP HB2 1 1 17 5641 1 1 16 TRP HB3 H 5.466 -1.999 1.572 1.00 . A A . 16 TRP HB3 1 1 17 5642 1 1 16 TRP HD1 H 7.181 -0.099 1.758 1.00 . A A . 16 TRP HD1 1 1 17 5643 1 1 16 TRP HE1 H 8.740 0.352 3.736 1.00 . A A . 16 TRP HE1 1 1 17 5644 1 1 16 TRP HE3 H 4.355 -2.099 5.499 1.00 . A A . 16 TRP HE3 1 1 17 5645 1 1 16 TRP HH2 H 7.262 -0.902 8.447 1.00 . A A . 16 TRP HH2 1 1 17 5646 1 1 16 TRP HZ2 H 8.647 0.112 6.646 1.00 . A A . 16 TRP HZ2 1 1 17 5647 1 1 16 TRP HZ3 H 5.120 -2.027 7.865 1.00 . A A . 16 TRP HZ3 1 1 17 5648 1 1 16 TRP N N 2.697 -1.917 1.252 1.00 . A A . 16 TRP N 1 1 17 5649 1 1 16 TRP NE1 N 7.794 0.021 3.873 1.00 . A A . 16 TRP NE1 1 1 17 5650 1 1 16 TRP O O 4.357 0.239 -0.093 1.00 . A A . 16 TRP O 1 1 17 5651 1 1 17 ASP C C 5.256 3.607 1.254 1.00 . A A . 17 ASP C 1 1 17 5652 1 1 17 ASP CA C 3.935 2.854 0.972 1.00 . A A . 17 ASP CA 1 1 17 5653 1 1 17 ASP CB C 2.776 3.775 1.429 1.00 . A A . 17 ASP CB 1 1 17 5654 1 1 17 ASP CG C 1.750 4.091 0.332 1.00 . A A . 17 ASP CG 1 1 17 5655 1 1 17 ASP H H 3.472 1.526 2.594 1.00 . A A . 17 ASP H 1 1 17 5656 1 1 17 ASP HA H 3.868 2.726 -0.111 1.00 . A A . 17 ASP HA 1 1 17 5657 1 1 17 ASP HB2 H 2.279 3.314 2.279 1.00 . A A . 17 ASP HB2 1 1 17 5658 1 1 17 ASP HB3 H 3.159 4.726 1.805 1.00 . A A . 17 ASP HB3 1 1 17 5659 1 1 17 ASP N N 3.808 1.527 1.647 1.00 . A A . 17 ASP N 1 1 17 5660 1 1 17 ASP O O 5.461 4.739 0.809 1.00 . A A . 17 ASP O 1 1 17 5661 1 1 17 ASP OD1 O 2.154 4.365 -0.816 1.00 . A A . 17 ASP OD1 1 1 17 5662 1 1 17 ASP OD2 O 0.541 3.969 0.636 1.00 . A A . 17 ASP OD2 1 1 17 5663 1 1 18 GLN C C 8.307 4.258 1.754 1.00 . A A . 18 GLN C 1 1 17 5664 1 1 18 GLN CA C 7.171 3.883 2.732 1.00 . A A . 18 GLN CA 1 1 17 5665 1 1 18 GLN CB C 7.716 3.151 3.965 1.00 . A A . 18 GLN CB 1 1 17 5666 1 1 18 GLN CD C 9.403 3.628 5.763 1.00 . A A . 18 GLN CD 1 1 17 5667 1 1 18 GLN CG C 8.099 4.083 5.121 1.00 . A A . 18 GLN CG 1 1 17 5668 1 1 18 GLN H H 5.960 2.111 2.394 1.00 . A A . 18 GLN H 1 1 17 5669 1 1 18 GLN HA H 6.696 4.810 3.055 1.00 . A A . 18 GLN HA 1 1 17 5670 1 1 18 GLN HB2 H 6.956 2.471 4.349 1.00 . A A . 18 GLN HB2 1 1 17 5671 1 1 18 GLN HB3 H 8.586 2.569 3.657 1.00 . A A . 18 GLN HB3 1 1 17 5672 1 1 18 GLN HE21 H 8.569 2.140 6.873 1.00 . A A . 18 GLN HE21 1 1 17 5673 1 1 18 GLN HE22 H 10.320 2.345 6.939 1.00 . A A . 18 GLN HE22 1 1 17 5674 1 1 18 GLN HG2 H 8.227 5.105 4.762 1.00 . A A . 18 GLN HG2 1 1 17 5675 1 1 18 GLN HG3 H 7.297 4.087 5.861 1.00 . A A . 18 GLN HG3 1 1 17 5676 1 1 18 GLN N N 6.119 3.069 2.117 1.00 . A A . 18 GLN N 1 1 17 5677 1 1 18 GLN NE2 N 9.409 2.638 6.622 1.00 . A A . 18 GLN NE2 1 1 17 5678 1 1 18 GLN O O 8.584 3.566 0.785 1.00 . A A . 18 GLN O 1 1 17 5679 1 1 18 GLN OE1 O 10.457 4.165 5.464 1.00 . A A . 18 GLN OE1 1 1 17 5680 1 1 19 HIS C C 11.438 4.991 1.122 1.00 . A A . 19 HIS C 1 1 17 5681 1 1 19 HIS CA C 10.176 5.880 1.285 1.00 . A A . 19 HIS CA 1 1 17 5682 1 1 19 HIS CB C 10.538 7.269 1.854 1.00 . A A . 19 HIS CB 1 1 17 5683 1 1 19 HIS CD2 C 12.238 8.236 3.511 1.00 . A A . 19 HIS CD2 1 1 17 5684 1 1 19 HIS CE1 C 12.333 6.602 5.005 1.00 . A A . 19 HIS CE1 1 1 17 5685 1 1 19 HIS CG C 11.352 7.264 3.137 1.00 . A A . 19 HIS CG 1 1 17 5686 1 1 19 HIS H H 8.709 5.860 2.849 1.00 . A A . 19 HIS H 1 1 17 5687 1 1 19 HIS HA H 9.799 6.028 0.269 1.00 . A A . 19 HIS HA 1 1 17 5688 1 1 19 HIS HB2 H 11.123 7.790 1.093 1.00 . A A . 19 HIS HB2 1 1 17 5689 1 1 19 HIS HB3 H 9.627 7.853 2.000 1.00 . A A . 19 HIS HB3 1 1 17 5690 1 1 19 HIS HD1 H 10.937 5.355 4.111 1.00 . A A . 19 HIS HD1 1 1 17 5691 1 1 19 HIS HD2 H 12.454 9.140 2.955 1.00 . A A . 19 HIS HD2 1 1 17 5692 1 1 19 HIS HE1 H 12.608 5.974 5.850 1.00 . A A . 19 HIS HE1 1 1 17 5693 1 1 19 HIS HE2 H 13.567 8.299 5.196 1.00 . A A . 19 HIS HE2 1 1 17 5694 1 1 19 HIS N N 9.057 5.322 2.074 1.00 . A A . 19 HIS N 1 1 17 5695 1 1 19 HIS ND1 N 11.428 6.251 4.076 1.00 . A A . 19 HIS ND1 1 1 17 5696 1 1 19 HIS NE2 N 12.839 7.811 4.686 1.00 . A A . 19 HIS NE2 1 1 17 5697 1 1 19 HIS O O 12.533 5.528 0.964 1.00 . A A . 19 HIS O 1 1 17 5698 1 1 20 ALA C C 11.911 1.462 0.326 1.00 . A A . 20 ALA C 1 1 17 5699 1 1 20 ALA CA C 12.413 2.696 1.112 1.00 . A A . 20 ALA CA 1 1 17 5700 1 1 20 ALA CB C 12.900 2.331 2.524 1.00 . A A . 20 ALA CB 1 1 17 5701 1 1 20 ALA H H 10.388 3.283 1.196 1.00 . A A . 20 ALA H 1 1 17 5702 1 1 20 ALA HA H 13.236 3.150 0.559 1.00 . A A . 20 ALA HA 1 1 17 5703 1 1 20 ALA HB1 H 13.219 3.229 3.054 1.00 . A A . 20 ALA HB1 1 1 17 5704 1 1 20 ALA HB2 H 12.098 1.844 3.084 1.00 . A A . 20 ALA HB2 1 1 17 5705 1 1 20 ALA HB3 H 13.743 1.644 2.461 1.00 . A A . 20 ALA HB3 1 1 17 5706 1 1 20 ALA N N 11.328 3.670 1.247 1.00 . A A . 20 ALA N 1 1 17 5707 1 1 20 ALA O O 10.727 1.153 0.423 1.00 . A A . 20 ALA O 1 1 17 5708 1 1 21 PRO C C 11.856 -1.619 -0.639 1.00 . A A . 21 PRO C 1 1 17 5709 1 1 21 PRO CA C 12.341 -0.333 -1.340 1.00 . A A . 21 PRO CA 1 1 17 5710 1 1 21 PRO CB C 13.572 -0.612 -2.214 1.00 . A A . 21 PRO CB 1 1 17 5711 1 1 21 PRO CD C 14.208 0.954 -0.534 1.00 . A A . 21 PRO CD 1 1 17 5712 1 1 21 PRO CG C 14.745 -0.251 -1.303 1.00 . A A . 21 PRO CG 1 1 17 5713 1 1 21 PRO HA H 11.528 0.024 -1.974 1.00 . A A . 21 PRO HA 1 1 17 5714 1 1 21 PRO HB2 H 13.623 -1.651 -2.545 1.00 . A A . 21 PRO HB2 1 1 17 5715 1 1 21 PRO HB3 H 13.566 0.058 -3.075 1.00 . A A . 21 PRO HB3 1 1 17 5716 1 1 21 PRO HD2 H 14.679 1.008 0.448 1.00 . A A . 21 PRO HD2 1 1 17 5717 1 1 21 PRO HD3 H 14.404 1.866 -1.102 1.00 . A A . 21 PRO HD3 1 1 17 5718 1 1 21 PRO HG2 H 14.946 -1.072 -0.612 1.00 . A A . 21 PRO HG2 1 1 17 5719 1 1 21 PRO HG3 H 15.640 -0.002 -1.874 1.00 . A A . 21 PRO HG3 1 1 17 5720 1 1 21 PRO N N 12.770 0.744 -0.429 1.00 . A A . 21 PRO N 1 1 17 5721 1 1 21 PRO O O 11.347 -2.524 -1.294 1.00 . A A . 21 PRO O 1 1 17 5722 1 1 22 LEU C C 11.667 -2.168 3.036 1.00 . A A . 22 LEU C 1 1 17 5723 1 1 22 LEU CA C 11.642 -2.751 1.607 1.00 . A A . 22 LEU CA 1 1 17 5724 1 1 22 LEU CB C 12.518 -4.015 1.422 1.00 . A A . 22 LEU CB 1 1 17 5725 1 1 22 LEU CD1 C 14.631 -3.358 2.751 1.00 . A A . 22 LEU CD1 1 1 17 5726 1 1 22 LEU CD2 C 14.723 -5.161 1.067 1.00 . A A . 22 LEU CD2 1 1 17 5727 1 1 22 LEU CG C 14.053 -3.834 1.416 1.00 . A A . 22 LEU CG 1 1 17 5728 1 1 22 LEU H H 12.422 -0.880 1.127 1.00 . A A . 22 LEU H 1 1 17 5729 1 1 22 LEU HA H 10.608 -3.021 1.386 1.00 . A A . 22 LEU HA 1 1 17 5730 1 1 22 LEU HB2 H 12.256 -4.751 2.181 1.00 . A A . 22 LEU HB2 1 1 17 5731 1 1 22 LEU HB3 H 12.240 -4.457 0.464 1.00 . A A . 22 LEU HB3 1 1 17 5732 1 1 22 LEU HD11 H 14.340 -4.056 3.541 1.00 . A A . 22 LEU HD11 1 1 17 5733 1 1 22 LEU HD12 H 14.286 -2.355 2.989 1.00 . A A . 22 LEU HD12 1 1 17 5734 1 1 22 LEU HD13 H 15.719 -3.346 2.698 1.00 . A A . 22 LEU HD13 1 1 17 5735 1 1 22 LEU HD21 H 15.804 -5.038 1.025 1.00 . A A . 22 LEU HD21 1 1 17 5736 1 1 22 LEU HD22 H 14.362 -5.522 0.106 1.00 . A A . 22 LEU HD22 1 1 17 5737 1 1 22 LEU HD23 H 14.487 -5.902 1.836 1.00 . A A . 22 LEU HD23 1 1 17 5738 1 1 22 LEU HG H 14.330 -3.114 0.645 1.00 . A A . 22 LEU HG 1 1 17 5739 1 1 22 LEU N N 12.060 -1.705 0.675 1.00 . A A . 22 LEU N 1 1 17 5740 1 1 22 LEU O O 11.843 -0.956 3.206 1.00 . A A . 22 LEU O 1 1 17 5741 1 1 23 ALA C C 12.225 -3.759 6.365 1.00 . A A . 23 ALA C 1 1 17 5742 1 1 23 ALA CA C 11.691 -2.627 5.462 1.00 . A A . 23 ALA CA 1 1 17 5743 1 1 23 ALA CB C 10.382 -2.040 5.992 1.00 . A A . 23 ALA CB 1 1 17 5744 1 1 23 ALA H H 11.374 -3.984 3.836 1.00 . A A . 23 ALA H 1 1 17 5745 1 1 23 ALA HA H 12.450 -1.845 5.505 1.00 . A A . 23 ALA HA 1 1 17 5746 1 1 23 ALA HB1 H 10.119 -1.177 5.384 1.00 . A A . 23 ALA HB1 1 1 17 5747 1 1 23 ALA HB2 H 9.587 -2.784 5.937 1.00 . A A . 23 ALA HB2 1 1 17 5748 1 1 23 ALA HB3 H 10.512 -1.728 7.028 1.00 . A A . 23 ALA HB3 1 1 17 5749 1 1 23 ALA N N 11.485 -3.005 4.057 1.00 . A A . 23 ALA N 1 1 17 5750 1 1 23 ALA O O 12.544 -3.497 7.522 1.00 . A A . 23 ALA O 1 1 17 5751 1 1 24 ASP C C 13.705 -6.731 4.962 1.00 . A A . 24 ASP C 1 1 17 5752 1 1 24 ASP CA C 13.028 -6.182 6.236 1.00 . A A . 24 ASP CA 1 1 17 5753 1 1 24 ASP CB C 11.986 -7.153 6.850 1.00 . A A . 24 ASP CB 1 1 17 5754 1 1 24 ASP CG C 12.551 -8.232 7.799 1.00 . A A . 24 ASP CG 1 1 17 5755 1 1 24 ASP H H 12.162 -5.086 4.817 1.00 . A A . 24 ASP H 1 1 17 5756 1 1 24 ASP HA H 13.795 -5.961 6.978 1.00 . A A . 24 ASP HA 1 1 17 5757 1 1 24 ASP HB2 H 11.269 -6.568 7.430 1.00 . A A . 24 ASP HB2 1 1 17 5758 1 1 24 ASP HB3 H 11.424 -7.631 6.046 1.00 . A A . 24 ASP HB3 1 1 17 5759 1 1 24 ASP N N 12.346 -4.959 5.800 1.00 . A A . 24 ASP N 1 1 17 5760 1 1 24 ASP O O 14.911 -7.053 5.007 1.00 . A A . 24 ASP O 1 1 17 5761 1 1 24 ASP OXT O 13.046 -6.601 3.896 1.00 . A A . 24 ASP OXT 1 1 17 5762 1 1 24 ASP OD1 O 13.107 -7.853 8.857 1.00 . A A . 24 ASP OD1 1 1 17 5763 1 1 24 ASP OD2 O 12.316 -9.436 7.534 1.00 . A A . 24 ASP OD2 1 1 18 5764 1 1 1 GLY C C 1.912 0.115 -1.937 1.00 . A A . 1 GLY C 1 1 18 5765 1 1 1 GLY CA C 1.246 1.303 -1.218 1.00 . A A . 1 GLY CA 1 1 18 5766 1 1 1 GLY H1 H 0.935 2.248 0.590 1.00 . A A . 1 GLY H1 1 1 18 5767 1 1 1 GLY HA2 H 0.297 1.440 -1.727 1.00 . A A . 1 GLY HA2 1 1 18 5768 1 1 1 GLY HA3 H 1.861 2.177 -1.426 1.00 . A A . 1 GLY HA3 1 1 18 5769 1 1 1 GLY N N 0.963 1.299 0.236 1.00 . A A . 1 GLY N 1 1 18 5770 1 1 1 GLY O O 1.984 -0.989 -1.421 1.00 . A A . 1 GLY O 1 1 18 5771 1 1 2 PRO C C 4.109 -1.306 -4.016 1.00 . A A . 2 PRO C 1 1 18 5772 1 1 2 PRO CA C 2.642 -0.833 -4.111 1.00 . A A . 2 PRO CA 1 1 18 5773 1 1 2 PRO CB C 2.263 -0.329 -5.509 1.00 . A A . 2 PRO CB 1 1 18 5774 1 1 2 PRO CD C 2.155 1.511 -3.985 1.00 . A A . 2 PRO CD 1 1 18 5775 1 1 2 PRO CG C 2.566 1.164 -5.416 1.00 . A A . 2 PRO CG 1 1 18 5776 1 1 2 PRO HA H 2.016 -1.690 -3.890 1.00 . A A . 2 PRO HA 1 1 18 5777 1 1 2 PRO HB2 H 2.830 -0.804 -6.308 1.00 . A A . 2 PRO HB2 1 1 18 5778 1 1 2 PRO HB3 H 1.195 -0.471 -5.677 1.00 . A A . 2 PRO HB3 1 1 18 5779 1 1 2 PRO HD2 H 2.795 2.296 -3.577 1.00 . A A . 2 PRO HD2 1 1 18 5780 1 1 2 PRO HD3 H 1.116 1.837 -3.968 1.00 . A A . 2 PRO HD3 1 1 18 5781 1 1 2 PRO HG2 H 3.636 1.329 -5.538 1.00 . A A . 2 PRO HG2 1 1 18 5782 1 1 2 PRO HG3 H 2.005 1.745 -6.147 1.00 . A A . 2 PRO HG3 1 1 18 5783 1 1 2 PRO N N 2.288 0.278 -3.220 1.00 . A A . 2 PRO N 1 1 18 5784 1 1 2 PRO O O 4.926 -0.971 -4.872 1.00 . A A . 2 PRO O 1 1 18 5785 1 1 3 THR C C 5.546 -4.263 -2.344 1.00 . A A . 3 THR C 1 1 18 5786 1 1 3 THR CA C 5.745 -2.814 -2.872 1.00 . A A . 3 THR CA 1 1 18 5787 1 1 3 THR CB C 6.683 -1.874 -2.077 1.00 . A A . 3 THR CB 1 1 18 5788 1 1 3 THR CG2 C 7.101 -2.236 -0.656 1.00 . A A . 3 THR CG2 1 1 18 5789 1 1 3 THR H H 3.762 -2.315 -2.281 1.00 . A A . 3 THR H 1 1 18 5790 1 1 3 THR HA H 6.169 -2.918 -3.871 1.00 . A A . 3 THR HA 1 1 18 5791 1 1 3 THR HB H 6.207 -0.892 -2.022 1.00 . A A . 3 THR HB 1 1 18 5792 1 1 3 THR HG1 H 8.345 -0.969 -2.371 1.00 . A A . 3 THR HG1 1 1 18 5793 1 1 3 THR HG21 H 7.532 -1.354 -0.189 1.00 . A A . 3 THR HG21 1 1 18 5794 1 1 3 THR HG22 H 7.851 -3.015 -0.649 1.00 . A A . 3 THR HG22 1 1 18 5795 1 1 3 THR HG23 H 6.241 -2.558 -0.084 1.00 . A A . 3 THR HG23 1 1 18 5796 1 1 3 THR N N 4.439 -2.129 -3.016 1.00 . A A . 3 THR N 1 1 18 5797 1 1 3 THR O O 4.407 -4.725 -2.376 1.00 . A A . 3 THR O 1 1 18 5798 1 1 3 THR OG1 O 7.886 -1.703 -2.787 1.00 . A A . 3 THR OG1 1 1 18 5799 1 1 4 PRO C C 6.286 -6.578 0.106 1.00 . A A . 4 PRO C 1 1 18 5800 1 1 4 PRO CA C 6.369 -6.430 -1.440 1.00 . A A . 4 PRO CA 1 1 18 5801 1 1 4 PRO CB C 7.500 -7.275 -2.043 1.00 . A A . 4 PRO CB 1 1 18 5802 1 1 4 PRO CD C 7.899 -4.993 -2.617 1.00 . A A . 4 PRO CD 1 1 18 5803 1 1 4 PRO CG C 8.634 -6.278 -2.241 1.00 . A A . 4 PRO CG 1 1 18 5804 1 1 4 PRO HA H 5.432 -6.841 -1.817 1.00 . A A . 4 PRO HA 1 1 18 5805 1 1 4 PRO HB2 H 7.804 -8.105 -1.406 1.00 . A A . 4 PRO HB2 1 1 18 5806 1 1 4 PRO HB3 H 7.180 -7.655 -3.014 1.00 . A A . 4 PRO HB3 1 1 18 5807 1 1 4 PRO HD2 H 8.477 -4.138 -2.278 1.00 . A A . 4 PRO HD2 1 1 18 5808 1 1 4 PRO HD3 H 7.785 -4.947 -3.702 1.00 . A A . 4 PRO HD3 1 1 18 5809 1 1 4 PRO HG2 H 9.174 -6.143 -1.305 1.00 . A A . 4 PRO HG2 1 1 18 5810 1 1 4 PRO HG3 H 9.317 -6.598 -3.027 1.00 . A A . 4 PRO HG3 1 1 18 5811 1 1 4 PRO N N 6.575 -5.074 -1.999 1.00 . A A . 4 PRO N 1 1 18 5812 1 1 4 PRO O O 6.278 -7.711 0.581 1.00 . A A . 4 PRO O 1 1 18 5813 1 1 5 MET C C 4.702 -5.420 2.913 1.00 . A A . 5 MET C 1 1 18 5814 1 1 5 MET CA C 6.149 -5.579 2.393 1.00 . A A . 5 MET CA 1 1 18 5815 1 1 5 MET CB C 7.074 -4.510 3.018 1.00 . A A . 5 MET CB 1 1 18 5816 1 1 5 MET CE C 9.513 -4.551 0.979 1.00 . A A . 5 MET CE 1 1 18 5817 1 1 5 MET CG C 8.427 -5.033 3.524 1.00 . A A . 5 MET CG 1 1 18 5818 1 1 5 MET H H 6.054 -4.615 0.463 1.00 . A A . 5 MET H 1 1 18 5819 1 1 5 MET HA H 6.499 -6.557 2.723 1.00 . A A . 5 MET HA 1 1 18 5820 1 1 5 MET HB2 H 7.245 -3.706 2.302 1.00 . A A . 5 MET HB2 1 1 18 5821 1 1 5 MET HB3 H 6.577 -4.070 3.884 1.00 . A A . 5 MET HB3 1 1 18 5822 1 1 5 MET HE1 H 9.473 -3.538 1.374 1.00 . A A . 5 MET HE1 1 1 18 5823 1 1 5 MET HE2 H 10.388 -4.667 0.339 1.00 . A A . 5 MET HE2 1 1 18 5824 1 1 5 MET HE3 H 8.620 -4.741 0.393 1.00 . A A . 5 MET HE3 1 1 18 5825 1 1 5 MET HG2 H 8.938 -4.198 4.005 1.00 . A A . 5 MET HG2 1 1 18 5826 1 1 5 MET HG3 H 8.243 -5.776 4.303 1.00 . A A . 5 MET HG3 1 1 18 5827 1 1 5 MET N N 6.217 -5.505 0.908 1.00 . A A . 5 MET N 1 1 18 5828 1 1 5 MET O O 3.840 -4.925 2.199 1.00 . A A . 5 MET O 1 1 18 5829 1 1 5 MET SD S 9.586 -5.753 2.323 1.00 . A A . 5 MET SD 1 1 18 5830 1 1 6 VAL C C 2.853 -4.552 5.785 1.00 . A A . 6 VAL C 1 1 18 5831 1 1 6 VAL CA C 3.021 -5.646 4.724 1.00 . A A . 6 VAL CA 1 1 18 5832 1 1 6 VAL CB C 2.531 -7.026 5.196 1.00 . A A . 6 VAL CB 1 1 18 5833 1 1 6 VAL CG1 C 3.261 -7.558 6.435 1.00 . A A . 6 VAL CG1 1 1 18 5834 1 1 6 VAL CG2 C 1.018 -7.009 5.447 1.00 . A A . 6 VAL CG2 1 1 18 5835 1 1 6 VAL H H 5.123 -6.110 4.778 1.00 . A A . 6 VAL H 1 1 18 5836 1 1 6 VAL HA H 2.352 -5.376 3.910 1.00 . A A . 6 VAL HA 1 1 18 5837 1 1 6 VAL HB H 2.709 -7.729 4.382 1.00 . A A . 6 VAL HB 1 1 18 5838 1 1 6 VAL HG11 H 3.063 -6.928 7.301 1.00 . A A . 6 VAL HG11 1 1 18 5839 1 1 6 VAL HG12 H 2.926 -8.572 6.651 1.00 . A A . 6 VAL HG12 1 1 18 5840 1 1 6 VAL HG13 H 4.337 -7.581 6.258 1.00 . A A . 6 VAL HG13 1 1 18 5841 1 1 6 VAL HG21 H 0.675 -8.022 5.654 1.00 . A A . 6 VAL HG21 1 1 18 5842 1 1 6 VAL HG22 H 0.777 -6.372 6.298 1.00 . A A . 6 VAL HG22 1 1 18 5843 1 1 6 VAL HG23 H 0.500 -6.644 4.559 1.00 . A A . 6 VAL HG23 1 1 18 5844 1 1 6 VAL N N 4.397 -5.738 4.180 1.00 . A A . 6 VAL N 1 1 18 5845 1 1 6 VAL O O 3.639 -4.444 6.720 1.00 . A A . 6 VAL O 1 1 18 5846 1 1 7 GLY C C 1.594 -1.235 5.781 1.00 . A A . 7 GLY C 1 1 18 5847 1 1 7 GLY CA C 1.522 -2.580 6.517 1.00 . A A . 7 GLY CA 1 1 18 5848 1 1 7 GLY H H 1.250 -3.824 4.807 1.00 . A A . 7 GLY H 1 1 18 5849 1 1 7 GLY HA2 H 0.518 -2.695 6.926 1.00 . A A . 7 GLY HA2 1 1 18 5850 1 1 7 GLY HA3 H 2.224 -2.562 7.352 1.00 . A A . 7 GLY HA3 1 1 18 5851 1 1 7 GLY N N 1.813 -3.720 5.639 1.00 . A A . 7 GLY N 1 1 18 5852 1 1 7 GLY O O 1.474 -1.180 4.558 1.00 . A A . 7 GLY O 1 1 18 5853 1 1 8 LEU C C 0.826 1.887 5.312 1.00 . A A . 8 LEU C 1 1 18 5854 1 1 8 LEU CA C 1.960 1.258 6.147 1.00 . A A . 8 LEU CA 1 1 18 5855 1 1 8 LEU CB C 3.343 1.462 5.486 1.00 . A A . 8 LEU CB 1 1 18 5856 1 1 8 LEU CD1 C 3.284 4.048 5.605 1.00 . A A . 8 LEU CD1 1 1 18 5857 1 1 8 LEU CD2 C 4.631 2.774 7.245 1.00 . A A . 8 LEU CD2 1 1 18 5858 1 1 8 LEU CG C 4.092 2.769 5.811 1.00 . A A . 8 LEU CG 1 1 18 5859 1 1 8 LEU H H 1.892 -0.348 7.530 1.00 . A A . 8 LEU H 1 1 18 5860 1 1 8 LEU HA H 1.969 1.818 7.083 1.00 . A A . 8 LEU HA 1 1 18 5861 1 1 8 LEU HB2 H 3.995 0.647 5.785 1.00 . A A . 8 LEU HB2 1 1 18 5862 1 1 8 LEU HB3 H 3.230 1.392 4.405 1.00 . A A . 8 LEU HB3 1 1 18 5863 1 1 8 LEU HD11 H 2.507 4.136 6.365 1.00 . A A . 8 LEU HD11 1 1 18 5864 1 1 8 LEU HD12 H 2.822 4.044 4.619 1.00 . A A . 8 LEU HD12 1 1 18 5865 1 1 8 LEU HD13 H 3.942 4.911 5.672 1.00 . A A . 8 LEU HD13 1 1 18 5866 1 1 8 LEU HD21 H 5.227 3.670 7.409 1.00 . A A . 8 LEU HD21 1 1 18 5867 1 1 8 LEU HD22 H 5.254 1.890 7.403 1.00 . A A . 8 LEU HD22 1 1 18 5868 1 1 8 LEU HD23 H 3.812 2.769 7.966 1.00 . A A . 8 LEU HD23 1 1 18 5869 1 1 8 LEU HG H 4.951 2.815 5.143 1.00 . A A . 8 LEU HG 1 1 18 5870 1 1 8 LEU N N 1.786 -0.153 6.546 1.00 . A A . 8 LEU N 1 1 18 5871 1 1 8 LEU O O 0.248 2.863 5.777 1.00 . A A . 8 LEU O 1 1 18 5872 1 1 9 ASP C C -1.412 2.897 3.548 1.00 . A A . 9 ASP C 1 1 18 5873 1 1 9 ASP CA C -0.242 2.041 3.041 1.00 . A A . 9 ASP CA 1 1 18 5874 1 1 9 ASP CB C -0.774 1.053 1.984 1.00 . A A . 9 ASP CB 1 1 18 5875 1 1 9 ASP CG C 0.201 0.464 0.949 1.00 . A A . 9 ASP CG 1 1 18 5876 1 1 9 ASP H H 0.974 0.479 3.917 1.00 . A A . 9 ASP H 1 1 18 5877 1 1 9 ASP HA H 0.413 2.742 2.542 1.00 . A A . 9 ASP HA 1 1 18 5878 1 1 9 ASP HB2 H -1.285 0.236 2.502 1.00 . A A . 9 ASP HB2 1 1 18 5879 1 1 9 ASP HB3 H -1.530 1.584 1.406 1.00 . A A . 9 ASP HB3 1 1 18 5880 1 1 9 ASP N N 0.520 1.366 4.113 1.00 . A A . 9 ASP N 1 1 18 5881 1 1 9 ASP O O -1.476 4.086 3.258 1.00 . A A . 9 ASP O 1 1 18 5882 1 1 9 ASP OD1 O -0.160 -0.640 0.508 1.00 . A A . 9 ASP OD1 1 1 18 5883 1 1 10 SER C C -4.537 3.597 3.923 1.00 . A A . 10 SER C 1 1 18 5884 1 1 10 SER CA C -3.551 2.916 4.890 1.00 . A A . 10 SER CA 1 1 18 5885 1 1 10 SER CB C -3.148 3.922 5.974 1.00 . A A . 10 SER CB 1 1 18 5886 1 1 10 SER H H -2.180 1.319 4.486 1.00 . A A . 10 SER H 1 1 18 5887 1 1 10 SER HA H -4.107 2.129 5.394 1.00 . A A . 10 SER HA 1 1 18 5888 1 1 10 SER HB2 H -2.699 4.806 5.517 1.00 . A A . 10 SER HB2 1 1 18 5889 1 1 10 SER HB3 H -4.042 4.227 6.518 1.00 . A A . 10 SER HB3 1 1 18 5890 1 1 10 SER HG H -1.371 3.256 6.419 1.00 . A A . 10 SER HG 1 1 18 5891 1 1 10 SER N N -2.353 2.292 4.284 1.00 . A A . 10 SER N 1 1 18 5892 1 1 10 SER O O -5.670 3.872 4.304 1.00 . A A . 10 SER O 1 1 18 5893 1 1 10 SER OG O -2.228 3.346 6.879 1.00 . A A . 10 SER OG 1 1 18 5894 1 1 11 VAL C C -4.592 3.964 0.293 1.00 . A A . 11 VAL C 1 1 18 5895 1 1 11 VAL CA C -4.801 4.643 1.645 1.00 . A A . 11 VAL CA 1 1 18 5896 1 1 11 VAL CB C -4.283 6.098 1.606 1.00 . A A . 11 VAL CB 1 1 18 5897 1 1 11 VAL CG1 C -5.161 6.941 0.674 1.00 . A A . 11 VAL CG1 1 1 18 5898 1 1 11 VAL CG2 C -4.260 6.763 2.990 1.00 . A A . 11 VAL CG2 1 1 18 5899 1 1 11 VAL H H -3.126 3.731 2.571 1.00 . A A . 11 VAL H 1 1 18 5900 1 1 11 VAL HA H -5.871 4.655 1.852 1.00 . A A . 11 VAL HA 1 1 18 5901 1 1 11 VAL HB H -3.263 6.108 1.218 1.00 . A A . 11 VAL HB 1 1 18 5902 1 1 11 VAL HG11 H -6.177 6.987 1.068 1.00 . A A . 11 VAL HG11 1 1 18 5903 1 1 11 VAL HG12 H -4.753 7.950 0.595 1.00 . A A . 11 VAL HG12 1 1 18 5904 1 1 11 VAL HG13 H -5.181 6.500 -0.324 1.00 . A A . 11 VAL HG13 1 1 18 5905 1 1 11 VAL HG21 H -3.979 7.812 2.899 1.00 . A A . 11 VAL HG21 1 1 18 5906 1 1 11 VAL HG22 H -5.240 6.684 3.462 1.00 . A A . 11 VAL HG22 1 1 18 5907 1 1 11 VAL HG23 H -3.514 6.275 3.619 1.00 . A A . 11 VAL HG23 1 1 18 5908 1 1 11 VAL N N -4.121 3.866 2.685 1.00 . A A . 11 VAL N 1 1 18 5909 1 1 11 VAL O O -5.553 3.530 -0.331 1.00 . A A . 11 VAL O 1 1 18 5910 1 1 12 SER C C -3.146 1.520 -1.282 1.00 . A A . 12 SER C 1 1 18 5911 1 1 12 SER CA C -2.974 3.059 -1.369 1.00 . A A . 12 SER CA 1 1 18 5912 1 1 12 SER CB C -1.552 3.455 -1.797 1.00 . A A . 12 SER CB 1 1 18 5913 1 1 12 SER H H -2.580 4.157 0.426 1.00 . A A . 12 SER H 1 1 18 5914 1 1 12 SER HA H -3.638 3.390 -2.167 1.00 . A A . 12 SER HA 1 1 18 5915 1 1 12 SER HB2 H -1.468 4.541 -1.869 1.00 . A A . 12 SER HB2 1 1 18 5916 1 1 12 SER HB3 H -0.832 3.101 -1.061 1.00 . A A . 12 SER HB3 1 1 18 5917 1 1 12 SER HG H -1.634 1.990 -3.056 1.00 . A A . 12 SER HG 1 1 18 5918 1 1 12 SER N N -3.336 3.783 -0.135 1.00 . A A . 12 SER N 1 1 18 5919 1 1 12 SER O O -2.687 0.817 -2.178 1.00 . A A . 12 SER O 1 1 18 5920 1 1 12 SER OG O -1.279 2.897 -3.070 1.00 . A A . 12 SER OG 1 1 18 5921 1 1 13 GLY C C -3.641 -1.492 -0.771 1.00 . A A . 13 GLY C 1 1 18 5922 1 1 13 GLY CA C -4.144 -0.364 0.135 1.00 . A A . 13 GLY CA 1 1 18 5923 1 1 13 GLY H H -4.192 1.742 0.362 1.00 . A A . 13 GLY H 1 1 18 5924 1 1 13 GLY HA2 H -3.792 -0.572 1.145 1.00 . A A . 13 GLY HA2 1 1 18 5925 1 1 13 GLY HA3 H -5.231 -0.434 0.149 1.00 . A A . 13 GLY HA3 1 1 18 5926 1 1 13 GLY N N -3.785 1.023 -0.214 1.00 . A A . 13 GLY N 1 1 18 5927 1 1 13 GLY O O -4.429 -2.080 -1.508 1.00 . A A . 13 GLY O 1 1 18 5928 1 1 14 GLN C C -0.713 -3.645 -0.479 1.00 . A A . 14 GLN C 1 1 18 5929 1 1 14 GLN CA C -1.711 -2.913 -1.403 1.00 . A A . 14 GLN CA 1 1 18 5930 1 1 14 GLN CB C -1.132 -2.329 -2.716 1.00 . A A . 14 GLN CB 1 1 18 5931 1 1 14 GLN CD C -0.102 -4.401 -3.901 1.00 . A A . 14 GLN CD 1 1 18 5932 1 1 14 GLN CG C -1.134 -3.280 -3.920 1.00 . A A . 14 GLN CG 1 1 18 5933 1 1 14 GLN H H -1.749 -1.287 -0.064 1.00 . A A . 14 GLN H 1 1 18 5934 1 1 14 GLN HA H -2.480 -3.641 -1.664 1.00 . A A . 14 GLN HA 1 1 18 5935 1 1 14 GLN HB2 H -1.761 -1.492 -3.020 1.00 . A A . 14 GLN HB2 1 1 18 5936 1 1 14 GLN HB3 H -0.138 -1.915 -2.564 1.00 . A A . 14 GLN HB3 1 1 18 5937 1 1 14 GLN HE21 H 1.434 -3.251 -3.219 1.00 . A A . 14 GLN HE21 1 1 18 5938 1 1 14 GLN HE22 H 1.766 -4.926 -3.571 1.00 . A A . 14 GLN HE22 1 1 18 5939 1 1 14 GLN HG2 H -2.128 -3.716 -4.028 1.00 . A A . 14 GLN HG2 1 1 18 5940 1 1 14 GLN HG3 H -0.942 -2.686 -4.812 1.00 . A A . 14 GLN HG3 1 1 18 5941 1 1 14 GLN N N -2.357 -1.832 -0.665 1.00 . A A . 14 GLN N 1 1 18 5942 1 1 14 GLN NE2 N 1.149 -4.130 -3.603 1.00 . A A . 14 GLN NE2 1 1 18 5943 1 1 14 GLN O O -1.126 -4.561 0.227 1.00 . A A . 14 GLN O 1 1 18 5944 1 1 14 GLN OE1 O -0.394 -5.538 -4.222 1.00 . A A . 14 GLN OE1 1 1 18 5945 1 1 15 TYR C C 2.821 -2.782 0.532 1.00 . A A . 15 TYR C 1 1 18 5946 1 1 15 TYR CA C 1.668 -3.814 0.330 1.00 . A A . 15 TYR CA 1 1 18 5947 1 1 15 TYR CB C 2.149 -5.108 -0.370 1.00 . A A . 15 TYR CB 1 1 18 5948 1 1 15 TYR CD1 C 1.169 -6.923 1.106 1.00 . A A . 15 TYR CD1 1 1 18 5949 1 1 15 TYR CD2 C 0.658 -6.950 -1.273 1.00 . A A . 15 TYR CD2 1 1 18 5950 1 1 15 TYR CE1 C 0.375 -8.071 1.290 1.00 . A A . 15 TYR CE1 1 1 18 5951 1 1 15 TYR CE2 C -0.141 -8.093 -1.099 1.00 . A A . 15 TYR CE2 1 1 18 5952 1 1 15 TYR CG C 1.297 -6.349 -0.173 1.00 . A A . 15 TYR CG 1 1 18 5953 1 1 15 TYR CZ C -0.289 -8.651 0.188 1.00 . A A . 15 TYR CZ 1 1 18 5954 1 1 15 TYR H H 0.758 -2.345 -0.883 1.00 . A A . 15 TYR H 1 1 18 5955 1 1 15 TYR HA H 1.313 -4.093 1.320 1.00 . A A . 15 TYR HA 1 1 18 5956 1 1 15 TYR HB2 H 2.222 -4.909 -1.430 1.00 . A A . 15 TYR HB2 1 1 18 5957 1 1 15 TYR HB3 H 3.154 -5.362 -0.045 1.00 . A A . 15 TYR HB3 1 1 18 5958 1 1 15 TYR HD1 H 1.685 -6.470 1.938 1.00 . A A . 15 TYR HD1 1 1 18 5959 1 1 15 TYR HD2 H 0.775 -6.526 -2.256 1.00 . A A . 15 TYR HD2 1 1 18 5960 1 1 15 TYR HE1 H 0.257 -8.513 2.265 1.00 . A A . 15 TYR HE1 1 1 18 5961 1 1 15 TYR HE2 H -0.639 -8.524 -1.952 1.00 . A A . 15 TYR HE2 1 1 18 5962 1 1 15 TYR HH H -1.497 -9.974 -0.464 1.00 . A A . 15 TYR HH 1 1 18 5963 1 1 15 TYR N N 0.558 -3.234 -0.439 1.00 . A A . 15 TYR N 1 1 18 5964 1 1 15 TYR O O 3.834 -2.827 -0.163 1.00 . A A . 15 TYR O 1 1 18 5965 1 1 15 TYR OH O -1.065 -9.753 0.361 1.00 . A A . 15 TYR OH 1 1 18 5966 1 1 16 TRP C C 4.281 0.223 1.356 1.00 . A A . 16 TRP C 1 1 18 5967 1 1 16 TRP CA C 3.720 -1.006 2.132 1.00 . A A . 16 TRP CA 1 1 18 5968 1 1 16 TRP CB C 4.804 -1.934 2.698 1.00 . A A . 16 TRP CB 1 1 18 5969 1 1 16 TRP CD1 C 7.091 -0.900 3.002 1.00 . A A . 16 TRP CD1 1 1 18 5970 1 1 16 TRP CD2 C 6.037 -1.255 4.953 1.00 . A A . 16 TRP CD2 1 1 18 5971 1 1 16 TRP CE2 C 7.307 -0.695 5.267 1.00 . A A . 16 TRP CE2 1 1 18 5972 1 1 16 TRP CE3 C 5.218 -1.621 6.038 1.00 . A A . 16 TRP CE3 1 1 18 5973 1 1 16 TRP CG C 5.915 -1.340 3.502 1.00 . A A . 16 TRP CG 1 1 18 5974 1 1 16 TRP CH2 C 6.849 -0.773 7.643 1.00 . A A . 16 TRP CH2 1 1 18 5975 1 1 16 TRP CZ2 C 7.703 -0.420 6.585 1.00 . A A . 16 TRP CZ2 1 1 18 5976 1 1 16 TRP CZ3 C 5.612 -1.382 7.369 1.00 . A A . 16 TRP CZ3 1 1 18 5977 1 1 16 TRP H H 1.756 -1.868 1.916 1.00 . A A . 16 TRP H 1 1 18 5978 1 1 16 TRP HA H 3.259 -0.573 3.014 1.00 . A A . 16 TRP HA 1 1 18 5979 1 1 16 TRP HB2 H 4.312 -2.659 3.345 1.00 . A A . 16 TRP HB2 1 1 18 5980 1 1 16 TRP HB3 H 5.257 -2.491 1.882 1.00 . A A . 16 TRP HB3 1 1 18 5981 1 1 16 TRP HD1 H 7.337 -0.880 1.945 1.00 . A A . 16 TRP HD1 1 1 18 5982 1 1 16 TRP HE1 H 8.909 -0.337 3.911 1.00 . A A . 16 TRP HE1 1 1 18 5983 1 1 16 TRP HE3 H 4.293 -2.129 5.830 1.00 . A A . 16 TRP HE3 1 1 18 5984 1 1 16 TRP HH2 H 7.166 -0.635 8.668 1.00 . A A . 16 TRP HH2 1 1 18 5985 1 1 16 TRP HZ2 H 8.680 -0.012 6.791 1.00 . A A . 16 TRP HZ2 1 1 18 5986 1 1 16 TRP HZ3 H 4.987 -1.718 8.184 1.00 . A A . 16 TRP HZ3 1 1 18 5987 1 1 16 TRP N N 2.670 -1.847 1.492 1.00 . A A . 16 TRP N 1 1 18 5988 1 1 16 TRP NE1 N 7.937 -0.582 4.046 1.00 . A A . 16 TRP NE1 1 1 18 5989 1 1 16 TRP O O 5.256 0.145 0.617 1.00 . A A . 16 TRP O 1 1 18 5990 1 1 17 ASP C C 5.407 3.392 1.476 1.00 . A A . 17 ASP C 1 1 18 5991 1 1 17 ASP CA C 4.044 2.759 1.085 1.00 . A A . 17 ASP CA 1 1 18 5992 1 1 17 ASP CB C 2.926 3.743 1.525 1.00 . A A . 17 ASP CB 1 1 18 5993 1 1 17 ASP CG C 1.972 4.163 0.400 1.00 . A A . 17 ASP CG 1 1 18 5994 1 1 17 ASP H H 2.919 1.372 2.238 1.00 . A A . 17 ASP H 1 1 18 5995 1 1 17 ASP HA H 4.040 2.690 -0.005 1.00 . A A . 17 ASP HA 1 1 18 5996 1 1 17 ASP HB2 H 2.366 3.293 2.341 1.00 . A A . 17 ASP HB2 1 1 18 5997 1 1 17 ASP HB3 H 3.342 4.655 1.950 1.00 . A A . 17 ASP HB3 1 1 18 5998 1 1 17 ASP N N 3.728 1.414 1.644 1.00 . A A . 17 ASP N 1 1 18 5999 1 1 17 ASP O O 5.667 4.556 1.165 1.00 . A A . 17 ASP O 1 1 18 6000 1 1 17 ASP OD1 O 2.452 4.440 -0.717 1.00 . A A . 17 ASP OD1 1 1 18 6001 1 1 17 ASP OD2 O 0.745 4.107 0.641 1.00 . A A . 17 ASP OD2 1 1 18 6002 1 1 18 GLN C C 8.459 3.857 1.751 1.00 . A A . 18 GLN C 1 1 18 6003 1 1 18 GLN CA C 7.441 3.409 2.816 1.00 . A A . 18 GLN CA 1 1 18 6004 1 1 18 GLN CB C 8.110 2.527 3.878 1.00 . A A . 18 GLN CB 1 1 18 6005 1 1 18 GLN CD C 8.497 4.494 5.429 1.00 . A A . 18 GLN CD 1 1 18 6006 1 1 18 GLN CG C 9.108 3.255 4.790 1.00 . A A . 18 GLN CG 1 1 18 6007 1 1 18 GLN H H 6.107 1.734 2.376 1.00 . A A . 18 GLN H 1 1 18 6008 1 1 18 GLN HA H 7.055 4.305 3.301 1.00 . A A . 18 GLN HA 1 1 18 6009 1 1 18 GLN HB2 H 7.335 2.091 4.509 1.00 . A A . 18 GLN HB2 1 1 18 6010 1 1 18 GLN HB3 H 8.653 1.736 3.366 1.00 . A A . 18 GLN HB3 1 1 18 6011 1 1 18 GLN HE21 H 7.367 3.436 6.739 1.00 . A A . 18 GLN HE21 1 1 18 6012 1 1 18 GLN HE22 H 7.208 5.190 6.761 1.00 . A A . 18 GLN HE22 1 1 18 6013 1 1 18 GLN HG2 H 9.439 2.575 5.578 1.00 . A A . 18 GLN HG2 1 1 18 6014 1 1 18 GLN HG3 H 9.985 3.548 4.211 1.00 . A A . 18 GLN HG3 1 1 18 6015 1 1 18 GLN N N 6.274 2.721 2.241 1.00 . A A . 18 GLN N 1 1 18 6016 1 1 18 GLN NE2 N 7.641 4.352 6.414 1.00 . A A . 18 GLN NE2 1 1 18 6017 1 1 18 GLN O O 8.775 3.125 0.821 1.00 . A A . 18 GLN O 1 1 18 6018 1 1 18 GLN OE1 O 8.759 5.617 5.012 1.00 . A A . 18 GLN OE1 1 1 18 6019 1 1 19 HIS C C 11.484 4.847 1.122 1.00 . A A . 19 HIS C 1 1 18 6020 1 1 19 HIS CA C 10.132 5.607 1.095 1.00 . A A . 19 HIS CA 1 1 18 6021 1 1 19 HIS CB C 10.293 7.113 1.402 1.00 . A A . 19 HIS CB 1 1 18 6022 1 1 19 HIS CD2 C 12.363 7.870 2.712 1.00 . A A . 19 HIS CD2 1 1 18 6023 1 1 19 HIS CE1 C 11.636 7.626 4.789 1.00 . A A . 19 HIS CE1 1 1 18 6024 1 1 19 HIS CG C 11.063 7.446 2.666 1.00 . A A . 19 HIS CG 1 1 18 6025 1 1 19 HIS H H 8.712 5.565 2.729 1.00 . A A . 19 HIS H 1 1 18 6026 1 1 19 HIS HA H 9.779 5.526 0.064 1.00 . A A . 19 HIS HA 1 1 18 6027 1 1 19 HIS HB2 H 10.821 7.567 0.561 1.00 . A A . 19 HIS HB2 1 1 18 6028 1 1 19 HIS HB3 H 9.308 7.585 1.441 1.00 . A A . 19 HIS HB3 1 1 18 6029 1 1 19 HIS HD1 H 9.726 6.900 4.263 1.00 . A A . 19 HIS HD1 1 1 18 6030 1 1 19 HIS HD2 H 13.006 8.015 1.851 1.00 . A A . 19 HIS HD2 1 1 18 6031 1 1 19 HIS HE1 H 11.599 7.558 5.872 1.00 . A A . 19 HIS HE1 1 1 18 6032 1 1 19 HIS HE2 H 13.627 8.233 4.396 1.00 . A A . 19 HIS HE2 1 1 18 6033 1 1 19 HIS N N 9.070 5.034 1.950 1.00 . A A . 19 HIS N 1 1 18 6034 1 1 19 HIS ND1 N 10.620 7.301 3.965 1.00 . A A . 19 HIS ND1 1 1 18 6035 1 1 19 HIS NE2 N 12.707 7.983 4.048 1.00 . A A . 19 HIS NE2 1 1 18 6036 1 1 19 HIS O O 12.538 5.462 0.962 1.00 . A A . 19 HIS O 1 1 18 6037 1 1 20 ALA C C 12.402 1.389 0.601 1.00 . A A . 20 ALA C 1 1 18 6038 1 1 20 ALA CA C 12.639 2.656 1.459 1.00 . A A . 20 ALA CA 1 1 18 6039 1 1 20 ALA CB C 12.867 2.322 2.943 1.00 . A A . 20 ALA CB 1 1 18 6040 1 1 20 ALA H H 10.576 3.075 1.291 1.00 . A A . 20 ALA H 1 1 18 6041 1 1 20 ALA HA H 13.514 3.183 1.080 1.00 . A A . 20 ALA HA 1 1 18 6042 1 1 20 ALA HB1 H 12.924 3.237 3.536 1.00 . A A . 20 ALA HB1 1 1 18 6043 1 1 20 ALA HB2 H 12.045 1.705 3.315 1.00 . A A . 20 ALA HB2 1 1 18 6044 1 1 20 ALA HB3 H 13.800 1.770 3.063 1.00 . A A . 20 ALA HB3 1 1 18 6045 1 1 20 ALA N N 11.477 3.539 1.374 1.00 . A A . 20 ALA N 1 1 18 6046 1 1 20 ALA O O 11.249 1.001 0.432 1.00 . A A . 20 ALA O 1 1 18 6047 1 1 21 PRO C C 12.762 -1.678 -0.148 1.00 . A A . 21 PRO C 1 1 18 6048 1 1 21 PRO CA C 13.291 -0.414 -0.846 1.00 . A A . 21 PRO CA 1 1 18 6049 1 1 21 PRO CB C 14.684 -0.649 -1.444 1.00 . A A . 21 PRO CB 1 1 18 6050 1 1 21 PRO CD C 14.860 1.053 0.230 1.00 . A A . 21 PRO CD 1 1 18 6051 1 1 21 PRO CG C 15.627 -0.131 -0.360 1.00 . A A . 21 PRO CG 1 1 18 6052 1 1 21 PRO HA H 12.596 -0.166 -1.648 1.00 . A A . 21 PRO HA 1 1 18 6053 1 1 21 PRO HB2 H 14.870 -1.701 -1.668 1.00 . A A . 21 PRO HB2 1 1 18 6054 1 1 21 PRO HB3 H 14.801 -0.047 -2.346 1.00 . A A . 21 PRO HB3 1 1 18 6055 1 1 21 PRO HD2 H 15.118 1.177 1.282 1.00 . A A . 21 PRO HD2 1 1 18 6056 1 1 21 PRO HD3 H 15.095 1.959 -0.329 1.00 . A A . 21 PRO HD3 1 1 18 6057 1 1 21 PRO HG2 H 15.766 -0.899 0.403 1.00 . A A . 21 PRO HG2 1 1 18 6058 1 1 21 PRO HG3 H 16.588 0.175 -0.773 1.00 . A A . 21 PRO HG3 1 1 18 6059 1 1 21 PRO N N 13.450 0.732 0.060 1.00 . A A . 21 PRO N 1 1 18 6060 1 1 21 PRO O O 12.145 -2.520 -0.791 1.00 . A A . 21 PRO O 1 1 18 6061 1 1 22 LEU C C 12.450 -2.299 3.502 1.00 . A A . 22 LEU C 1 1 18 6062 1 1 22 LEU CA C 12.483 -2.826 2.061 1.00 . A A . 22 LEU CA 1 1 18 6063 1 1 22 LEU CB C 13.281 -4.138 1.903 1.00 . A A . 22 LEU CB 1 1 18 6064 1 1 22 LEU CD1 C 15.162 -4.655 3.541 1.00 . A A . 22 LEU CD1 1 1 18 6065 1 1 22 LEU CD2 C 15.605 -4.703 1.099 1.00 . A A . 22 LEU CD2 1 1 18 6066 1 1 22 LEU CG C 14.792 -4.023 2.202 1.00 . A A . 22 LEU CG 1 1 18 6067 1 1 22 LEU H H 13.480 -1.041 1.618 1.00 . A A . 22 LEU H 1 1 18 6068 1 1 22 LEU HA H 11.454 -3.024 1.782 1.00 . A A . 22 LEU HA 1 1 18 6069 1 1 22 LEU HB2 H 12.842 -4.911 2.537 1.00 . A A . 22 LEU HB2 1 1 18 6070 1 1 22 LEU HB3 H 13.137 -4.481 0.879 1.00 . A A . 22 LEU HB3 1 1 18 6071 1 1 22 LEU HD11 H 14.619 -4.169 4.350 1.00 . A A . 22 LEU HD11 1 1 18 6072 1 1 22 LEU HD12 H 16.232 -4.564 3.722 1.00 . A A . 22 LEU HD12 1 1 18 6073 1 1 22 LEU HD13 H 14.890 -5.714 3.540 1.00 . A A . 22 LEU HD13 1 1 18 6074 1 1 22 LEU HD21 H 15.359 -4.257 0.136 1.00 . A A . 22 LEU HD21 1 1 18 6075 1 1 22 LEU HD22 H 15.362 -5.766 1.076 1.00 . A A . 22 LEU HD22 1 1 18 6076 1 1 22 LEU HD23 H 16.669 -4.581 1.293 1.00 . A A . 22 LEU HD23 1 1 18 6077 1 1 22 LEU HG H 15.092 -2.975 2.229 1.00 . A A . 22 LEU HG 1 1 18 6078 1 1 22 LEU N N 13.004 -1.800 1.158 1.00 . A A . 22 LEU N 1 1 18 6079 1 1 22 LEU O O 12.869 -1.164 3.758 1.00 . A A . 22 LEU O 1 1 18 6080 1 1 23 ALA C C 11.863 -4.036 6.772 1.00 . A A . 23 ALA C 1 1 18 6081 1 1 23 ALA CA C 11.835 -2.794 5.854 1.00 . A A . 23 ALA CA 1 1 18 6082 1 1 23 ALA CB C 10.556 -1.980 6.078 1.00 . A A . 23 ALA CB 1 1 18 6083 1 1 23 ALA H H 11.607 -4.018 4.129 1.00 . A A . 23 ALA H 1 1 18 6084 1 1 23 ALA HA H 12.688 -2.182 6.144 1.00 . A A . 23 ALA HA 1 1 18 6085 1 1 23 ALA HB1 H 10.490 -1.691 7.127 1.00 . A A . 23 ALA HB1 1 1 18 6086 1 1 23 ALA HB2 H 10.577 -1.084 5.460 1.00 . A A . 23 ALA HB2 1 1 18 6087 1 1 23 ALA HB3 H 9.684 -2.585 5.825 1.00 . A A . 23 ALA HB3 1 1 18 6088 1 1 23 ALA N N 11.920 -3.101 4.423 1.00 . A A . 23 ALA N 1 1 18 6089 1 1 23 ALA O O 11.867 -3.867 7.989 1.00 . A A . 23 ALA O 1 1 18 6090 1 1 24 ASP C C 12.826 -7.430 5.839 1.00 . A A . 24 ASP C 1 1 18 6091 1 1 24 ASP CA C 11.874 -6.591 6.723 1.00 . A A . 24 ASP CA 1 1 18 6092 1 1 24 ASP CB C 10.411 -7.127 6.680 1.00 . A A . 24 ASP CB 1 1 18 6093 1 1 24 ASP CG C 9.836 -7.776 7.961 1.00 . A A . 24 ASP CG 1 1 18 6094 1 1 24 ASP H H 12.073 -5.316 5.184 1.00 . A A . 24 ASP H 1 1 18 6095 1 1 24 ASP HA H 12.248 -6.607 7.747 1.00 . A A . 24 ASP HA 1 1 18 6096 1 1 24 ASP HB2 H 9.739 -6.304 6.424 1.00 . A A . 24 ASP HB2 1 1 18 6097 1 1 24 ASP HB3 H 10.327 -7.847 5.863 1.00 . A A . 24 ASP HB3 1 1 18 6098 1 1 24 ASP N N 11.896 -5.227 6.174 1.00 . A A . 24 ASP N 1 1 18 6099 1 1 24 ASP O O 13.543 -8.302 6.375 1.00 . A A . 24 ASP O 1 1 18 6100 1 1 24 ASP OXT O 12.901 -7.089 4.630 1.00 . A A . 24 ASP OXT 1 1 18 6101 1 1 24 ASP OD1 O 10.304 -7.475 9.085 1.00 . A A . 24 ASP OD1 1 1 18 6102 1 1 24 ASP OD2 O 8.831 -8.517 7.813 1.00 . A A . 24 ASP OD2 1 1 19 6103 1 1 1 GLY C C 2.033 -0.064 -1.831 1.00 . A A . 1 GLY C 1 1 19 6104 1 1 1 GLY CA C 1.373 1.126 -1.114 1.00 . A A . 1 GLY CA 1 1 19 6105 1 1 1 GLY H1 H 1.239 1.916 0.798 1.00 . A A . 1 GLY H1 1 1 19 6106 1 1 1 GLY HA2 H 0.473 1.381 -1.667 1.00 . A A . 1 GLY HA2 1 1 19 6107 1 1 1 GLY HA3 H 2.059 1.956 -1.246 1.00 . A A . 1 GLY HA3 1 1 19 6108 1 1 1 GLY N N 1.033 1.049 0.324 1.00 . A A . 1 GLY N 1 1 19 6109 1 1 1 GLY O O 2.132 -1.160 -1.300 1.00 . A A . 1 GLY O 1 1 19 6110 1 1 2 PRO C C 4.292 -1.425 -3.845 1.00 . A A . 2 PRO C 1 1 19 6111 1 1 2 PRO CA C 2.808 -1.009 -3.988 1.00 . A A . 2 PRO CA 1 1 19 6112 1 1 2 PRO CB C 2.467 -0.498 -5.395 1.00 . A A . 2 PRO CB 1 1 19 6113 1 1 2 PRO CD C 2.292 1.337 -3.874 1.00 . A A . 2 PRO CD 1 1 19 6114 1 1 2 PRO CG C 2.755 1.004 -5.292 1.00 . A A . 2 PRO CG 1 1 19 6115 1 1 2 PRO HA H 2.198 -1.890 -3.789 1.00 . A A . 2 PRO HA 1 1 19 6116 1 1 2 PRO HB2 H 3.066 -0.980 -6.169 1.00 . A A . 2 PRO HB2 1 1 19 6117 1 1 2 PRO HB3 H 1.401 -0.652 -5.585 1.00 . A A . 2 PRO HB3 1 1 19 6118 1 1 2 PRO HD2 H 2.924 2.119 -3.451 1.00 . A A . 2 PRO HD2 1 1 19 6119 1 1 2 PRO HD3 H 1.249 1.660 -3.898 1.00 . A A . 2 PRO HD3 1 1 19 6120 1 1 2 PRO HG2 H 3.828 1.184 -5.377 1.00 . A A . 2 PRO HG2 1 1 19 6121 1 1 2 PRO HG3 H 2.210 1.581 -6.042 1.00 . A A . 2 PRO HG3 1 1 19 6122 1 1 2 PRO N N 2.409 0.098 -3.112 1.00 . A A . 2 PRO N 1 1 19 6123 1 1 2 PRO O O 5.132 -1.007 -4.640 1.00 . A A . 2 PRO O 1 1 19 6124 1 1 3 THR C C 5.781 -4.397 -2.198 1.00 . A A . 3 THR C 1 1 19 6125 1 1 3 THR CA C 5.936 -2.944 -2.734 1.00 . A A . 3 THR CA 1 1 19 6126 1 1 3 THR CB C 6.869 -1.992 -1.941 1.00 . A A . 3 THR CB 1 1 19 6127 1 1 3 THR CG2 C 7.468 -2.448 -0.617 1.00 . A A . 3 THR CG2 1 1 19 6128 1 1 3 THR H H 3.906 -2.550 -2.195 1.00 . A A . 3 THR H 1 1 19 6129 1 1 3 THR HA H 6.355 -3.041 -3.737 1.00 . A A . 3 THR HA 1 1 19 6130 1 1 3 THR HB H 6.326 -1.067 -1.744 1.00 . A A . 3 THR HB 1 1 19 6131 1 1 3 THR HG1 H 8.364 -0.868 -2.365 1.00 . A A . 3 THR HG1 1 1 19 6132 1 1 3 THR HG21 H 8.285 -3.142 -0.783 1.00 . A A . 3 THR HG21 1 1 19 6133 1 1 3 THR HG22 H 6.705 -2.922 -0.010 1.00 . A A . 3 THR HG22 1 1 19 6134 1 1 3 THR HG23 H 7.870 -1.578 -0.102 1.00 . A A . 3 THR HG23 1 1 19 6135 1 1 3 THR N N 4.614 -2.286 -2.871 1.00 . A A . 3 THR N 1 1 19 6136 1 1 3 THR O O 4.647 -4.849 -2.054 1.00 . A A . 3 THR O 1 1 19 6137 1 1 3 THR OG1 O 7.976 -1.660 -2.745 1.00 . A A . 3 THR OG1 1 1 19 6138 1 1 4 PRO C C 6.572 -6.752 0.093 1.00 . A A . 4 PRO C 1 1 19 6139 1 1 4 PRO CA C 6.757 -6.578 -1.447 1.00 . A A . 4 PRO CA 1 1 19 6140 1 1 4 PRO CB C 8.019 -7.305 -1.960 1.00 . A A . 4 PRO CB 1 1 19 6141 1 1 4 PRO CD C 8.085 -5.073 -2.778 1.00 . A A . 4 PRO CD 1 1 19 6142 1 1 4 PRO CG C 9.003 -6.198 -2.320 1.00 . A A . 4 PRO CG 1 1 19 6143 1 1 4 PRO HA H 5.901 -7.080 -1.897 1.00 . A A . 4 PRO HA 1 1 19 6144 1 1 4 PRO HB2 H 8.459 -7.985 -1.229 1.00 . A A . 4 PRO HB2 1 1 19 6145 1 1 4 PRO HB3 H 7.766 -7.862 -2.864 1.00 . A A . 4 PRO HB3 1 1 19 6146 1 1 4 PRO HD2 H 8.579 -4.115 -2.636 1.00 . A A . 4 PRO HD2 1 1 19 6147 1 1 4 PRO HD3 H 7.862 -5.208 -3.838 1.00 . A A . 4 PRO HD3 1 1 19 6148 1 1 4 PRO HG2 H 9.558 -5.889 -1.436 1.00 . A A . 4 PRO HG2 1 1 19 6149 1 1 4 PRO HG3 H 9.690 -6.506 -3.109 1.00 . A A . 4 PRO HG3 1 1 19 6150 1 1 4 PRO N N 6.846 -5.210 -2.015 1.00 . A A . 4 PRO N 1 1 19 6151 1 1 4 PRO O O 6.752 -7.869 0.568 1.00 . A A . 4 PRO O 1 1 19 6152 1 1 5 MET C C 4.722 -5.806 2.895 1.00 . A A . 5 MET C 1 1 19 6153 1 1 5 MET CA C 6.180 -5.779 2.379 1.00 . A A . 5 MET CA 1 1 19 6154 1 1 5 MET CB C 7.015 -4.624 2.983 1.00 . A A . 5 MET CB 1 1 19 6155 1 1 5 MET CE C 9.554 -4.706 1.057 1.00 . A A . 5 MET CE 1 1 19 6156 1 1 5 MET CG C 8.352 -5.074 3.590 1.00 . A A . 5 MET CG 1 1 19 6157 1 1 5 MET H H 5.860 -4.908 0.432 1.00 . A A . 5 MET H 1 1 19 6158 1 1 5 MET HA H 6.621 -6.719 2.718 1.00 . A A . 5 MET HA 1 1 19 6159 1 1 5 MET HB2 H 7.197 -3.860 2.229 1.00 . A A . 5 MET HB2 1 1 19 6160 1 1 5 MET HB3 H 6.465 -4.135 3.785 1.00 . A A . 5 MET HB3 1 1 19 6161 1 1 5 MET HE1 H 9.483 -3.670 1.382 1.00 . A A . 5 MET HE1 1 1 19 6162 1 1 5 MET HE2 H 10.456 -4.853 0.462 1.00 . A A . 5 MET HE2 1 1 19 6163 1 1 5 MET HE3 H 8.689 -4.946 0.447 1.00 . A A . 5 MET HE3 1 1 19 6164 1 1 5 MET HG2 H 8.803 -4.204 4.067 1.00 . A A . 5 MET HG2 1 1 19 6165 1 1 5 MET HG3 H 8.143 -5.799 4.380 1.00 . A A . 5 MET HG3 1 1 19 6166 1 1 5 MET N N 6.240 -5.724 0.890 1.00 . A A . 5 MET N 1 1 19 6167 1 1 5 MET O O 3.804 -6.039 2.124 1.00 . A A . 5 MET O 1 1 19 6168 1 1 5 MET SD S 9.593 -5.811 2.483 1.00 . A A . 5 MET SD 1 1 19 6169 1 1 6 VAL C C 2.920 -4.299 5.711 1.00 . A A . 6 VAL C 1 1 19 6170 1 1 6 VAL CA C 3.043 -5.400 4.657 1.00 . A A . 6 VAL CA 1 1 19 6171 1 1 6 VAL CB C 2.424 -6.739 5.113 1.00 . A A . 6 VAL CB 1 1 19 6172 1 1 6 VAL CG1 C 3.039 -7.301 6.399 1.00 . A A . 6 VAL CG1 1 1 19 6173 1 1 6 VAL CG2 C 0.906 -6.631 5.304 1.00 . A A . 6 VAL CG2 1 1 19 6174 1 1 6 VAL H H 5.186 -5.476 4.854 1.00 . A A . 6 VAL H 1 1 19 6175 1 1 6 VAL HA H 2.457 -5.058 3.805 1.00 . A A . 6 VAL HA 1 1 19 6176 1 1 6 VAL HB H 2.590 -7.468 4.320 1.00 . A A . 6 VAL HB 1 1 19 6177 1 1 6 VAL HG11 H 2.607 -8.277 6.614 1.00 . A A . 6 VAL HG11 1 1 19 6178 1 1 6 VAL HG12 H 4.115 -7.421 6.274 1.00 . A A . 6 VAL HG12 1 1 19 6179 1 1 6 VAL HG13 H 2.855 -6.637 7.241 1.00 . A A . 6 VAL HG13 1 1 19 6180 1 1 6 VAL HG21 H 0.494 -7.630 5.452 1.00 . A A . 6 VAL HG21 1 1 19 6181 1 1 6 VAL HG22 H 0.671 -6.024 6.177 1.00 . A A . 6 VAL HG22 1 1 19 6182 1 1 6 VAL HG23 H 0.446 -6.196 4.416 1.00 . A A . 6 VAL HG23 1 1 19 6183 1 1 6 VAL N N 4.434 -5.589 4.187 1.00 . A A . 6 VAL N 1 1 19 6184 1 1 6 VAL O O 3.790 -4.136 6.559 1.00 . A A . 6 VAL O 1 1 19 6185 1 1 7 GLY C C 1.707 -1.024 5.690 1.00 . A A . 7 GLY C 1 1 19 6186 1 1 7 GLY CA C 1.610 -2.332 6.486 1.00 . A A . 7 GLY CA 1 1 19 6187 1 1 7 GLY H H 1.187 -3.689 4.899 1.00 . A A . 7 GLY H 1 1 19 6188 1 1 7 GLY HA2 H 0.608 -2.399 6.909 1.00 . A A . 7 GLY HA2 1 1 19 6189 1 1 7 GLY HA3 H 2.333 -2.308 7.303 1.00 . A A . 7 GLY HA3 1 1 19 6190 1 1 7 GLY N N 1.837 -3.516 5.650 1.00 . A A . 7 GLY N 1 1 19 6191 1 1 7 GLY O O 1.569 -1.027 4.470 1.00 . A A . 7 GLY O 1 1 19 6192 1 1 8 LEU C C 0.992 2.103 5.061 1.00 . A A . 8 LEU C 1 1 19 6193 1 1 8 LEU CA C 2.086 1.494 5.958 1.00 . A A . 8 LEU CA 1 1 19 6194 1 1 8 LEU CB C 3.507 1.757 5.394 1.00 . A A . 8 LEU CB 1 1 19 6195 1 1 8 LEU CD1 C 3.664 4.312 5.700 1.00 . A A . 8 LEU CD1 1 1 19 6196 1 1 8 LEU CD2 C 4.563 2.817 7.482 1.00 . A A . 8 LEU CD2 1 1 19 6197 1 1 8 LEU CG C 4.295 2.950 5.979 1.00 . A A . 8 LEU CG 1 1 19 6198 1 1 8 LEU H H 2.059 -0.066 7.384 1.00 . A A . 8 LEU H 1 1 19 6199 1 1 8 LEU HA H 1.997 2.070 6.875 1.00 . A A . 8 LEU HA 1 1 19 6200 1 1 8 LEU HB2 H 4.119 0.877 5.555 1.00 . A A . 8 LEU HB2 1 1 19 6201 1 1 8 LEU HB3 H 3.442 1.895 4.315 1.00 . A A . 8 LEU HB3 1 1 19 6202 1 1 8 LEU HD11 H 2.684 4.385 6.170 1.00 . A A . 8 LEU HD11 1 1 19 6203 1 1 8 LEU HD12 H 3.552 4.456 4.625 1.00 . A A . 8 LEU HD12 1 1 19 6204 1 1 8 LEU HD13 H 4.299 5.106 6.092 1.00 . A A . 8 LEU HD13 1 1 19 6205 1 1 8 LEU HD21 H 3.634 2.758 8.038 1.00 . A A . 8 LEU HD21 1 1 19 6206 1 1 8 LEU HD22 H 5.116 3.677 7.842 1.00 . A A . 8 LEU HD22 1 1 19 6207 1 1 8 LEU HD23 H 5.145 1.920 7.669 1.00 . A A . 8 LEU HD23 1 1 19 6208 1 1 8 LEU HG H 5.267 2.958 5.489 1.00 . A A . 8 LEU HG 1 1 19 6209 1 1 8 LEU N N 1.936 0.089 6.396 1.00 . A A . 8 LEU N 1 1 19 6210 1 1 8 LEU O O 0.537 3.188 5.396 1.00 . A A . 8 LEU O 1 1 19 6211 1 1 9 ASP C C -1.486 2.827 3.489 1.00 . A A . 9 ASP C 1 1 19 6212 1 1 9 ASP CA C -0.303 2.022 2.921 1.00 . A A . 9 ASP CA 1 1 19 6213 1 1 9 ASP CB C -0.859 0.934 1.983 1.00 . A A . 9 ASP CB 1 1 19 6214 1 1 9 ASP CG C 0.032 0.356 0.867 1.00 . A A . 9 ASP CG 1 1 19 6215 1 1 9 ASP H H 0.970 0.530 3.832 1.00 . A A . 9 ASP H 1 1 19 6216 1 1 9 ASP HA H 0.263 2.733 2.331 1.00 . A A . 9 ASP HA 1 1 19 6217 1 1 9 ASP HB2 H -1.226 0.113 2.606 1.00 . A A . 9 ASP HB2 1 1 19 6218 1 1 9 ASP HB3 H -1.731 1.357 1.485 1.00 . A A . 9 ASP HB3 1 1 19 6219 1 1 9 ASP N N 0.583 1.461 3.958 1.00 . A A . 9 ASP N 1 1 19 6220 1 1 9 ASP O O -1.587 4.019 3.232 1.00 . A A . 9 ASP O 1 1 19 6221 1 1 9 ASP OD1 O -0.067 -0.874 0.726 1.00 . A A . 9 ASP OD1 1 1 19 6222 1 1 10 SER C C -4.572 3.606 4.110 1.00 . A A . 10 SER C 1 1 19 6223 1 1 10 SER CA C -3.593 2.722 4.917 1.00 . A A . 10 SER CA 1 1 19 6224 1 1 10 SER CB C -3.131 3.450 6.188 1.00 . A A . 10 SER CB 1 1 19 6225 1 1 10 SER H H -2.223 1.190 4.339 1.00 . A A . 10 SER H 1 1 19 6226 1 1 10 SER HA H -4.184 1.864 5.234 1.00 . A A . 10 SER HA 1 1 19 6227 1 1 10 SER HB2 H -2.047 3.391 6.288 1.00 . A A . 10 SER HB2 1 1 19 6228 1 1 10 SER HB3 H -3.410 4.501 6.138 1.00 . A A . 10 SER HB3 1 1 19 6229 1 1 10 SER HG H -3.767 3.514 8.021 1.00 . A A . 10 SER HG 1 1 19 6230 1 1 10 SER N N -2.410 2.171 4.211 1.00 . A A . 10 SER N 1 1 19 6231 1 1 10 SER O O -5.609 4.026 4.618 1.00 . A A . 10 SER O 1 1 19 6232 1 1 10 SER OG O -3.722 2.855 7.326 1.00 . A A . 10 SER OG 1 1 19 6233 1 1 11 VAL C C -4.809 4.211 0.505 1.00 . A A . 11 VAL C 1 1 19 6234 1 1 11 VAL CA C -4.829 4.836 1.904 1.00 . A A . 11 VAL CA 1 1 19 6235 1 1 11 VAL CB C -4.010 6.150 1.900 1.00 . A A . 11 VAL CB 1 1 19 6236 1 1 11 VAL CG1 C -4.551 7.159 0.879 1.00 . A A . 11 VAL CG1 1 1 19 6237 1 1 11 VAL CG2 C -3.972 6.835 3.274 1.00 . A A . 11 VAL CG2 1 1 19 6238 1 1 11 VAL H H -3.297 3.587 2.652 1.00 . A A . 11 VAL H 1 1 19 6239 1 1 11 VAL HA H -5.863 5.053 2.176 1.00 . A A . 11 VAL HA 1 1 19 6240 1 1 11 VAL HB H -2.980 5.920 1.624 1.00 . A A . 11 VAL HB 1 1 19 6241 1 1 11 VAL HG11 H -3.974 8.082 0.931 1.00 . A A . 11 VAL HG11 1 1 19 6242 1 1 11 VAL HG12 H -4.455 6.758 -0.130 1.00 . A A . 11 VAL HG12 1 1 19 6243 1 1 11 VAL HG13 H -5.600 7.372 1.086 1.00 . A A . 11 VAL HG13 1 1 19 6244 1 1 11 VAL HG21 H -3.436 6.209 3.988 1.00 . A A . 11 VAL HG21 1 1 19 6245 1 1 11 VAL HG22 H -3.442 7.783 3.201 1.00 . A A . 11 VAL HG22 1 1 19 6246 1 1 11 VAL HG23 H -4.983 7.010 3.636 1.00 . A A . 11 VAL HG23 1 1 19 6247 1 1 11 VAL N N -4.240 3.883 2.853 1.00 . A A . 11 VAL N 1 1 19 6248 1 1 11 VAL O O -5.836 4.155 -0.162 1.00 . A A . 11 VAL O 1 1 19 6249 1 1 12 SER C C -3.880 1.696 -1.368 1.00 . A A . 12 SER C 1 1 19 6250 1 1 12 SER CA C -3.387 3.148 -1.252 1.00 . A A . 12 SER CA 1 1 19 6251 1 1 12 SER CB C -1.888 3.275 -1.542 1.00 . A A . 12 SER CB 1 1 19 6252 1 1 12 SER H H -2.837 3.889 0.677 1.00 . A A . 12 SER H 1 1 19 6253 1 1 12 SER HA H -3.924 3.731 -1.998 1.00 . A A . 12 SER HA 1 1 19 6254 1 1 12 SER HB2 H -1.598 4.315 -1.386 1.00 . A A . 12 SER HB2 1 1 19 6255 1 1 12 SER HB3 H -1.325 2.649 -0.852 1.00 . A A . 12 SER HB3 1 1 19 6256 1 1 12 SER HG H -0.696 3.256 -3.052 1.00 . A A . 12 SER HG 1 1 19 6257 1 1 12 SER N N -3.633 3.738 0.072 1.00 . A A . 12 SER N 1 1 19 6258 1 1 12 SER O O -4.526 1.330 -2.344 1.00 . A A . 12 SER O 1 1 19 6259 1 1 12 SER OG O -1.576 2.914 -2.866 1.00 . A A . 12 SER OG 1 1 19 6260 1 1 13 GLY C C -3.510 -1.539 -1.019 1.00 . A A . 13 GLY C 1 1 19 6261 1 1 13 GLY CA C -4.180 -0.465 -0.154 1.00 . A A . 13 GLY CA 1 1 19 6262 1 1 13 GLY H H -3.132 1.298 0.435 1.00 . A A . 13 GLY H 1 1 19 6263 1 1 13 GLY HA2 H -4.083 -0.750 0.894 1.00 . A A . 13 GLY HA2 1 1 19 6264 1 1 13 GLY HA3 H -5.242 -0.461 -0.403 1.00 . A A . 13 GLY HA3 1 1 19 6265 1 1 13 GLY N N -3.639 0.888 -0.327 1.00 . A A . 13 GLY N 1 1 19 6266 1 1 13 GLY O O -4.152 -2.095 -1.907 1.00 . A A . 13 GLY O 1 1 19 6267 1 1 14 GLN C C -0.602 -3.701 -0.458 1.00 . A A . 14 GLN C 1 1 19 6268 1 1 14 GLN CA C -1.524 -2.942 -1.439 1.00 . A A . 14 GLN CA 1 1 19 6269 1 1 14 GLN CB C -0.867 -2.368 -2.721 1.00 . A A . 14 GLN CB 1 1 19 6270 1 1 14 GLN CD C -0.170 -4.486 -4.082 1.00 . A A . 14 GLN CD 1 1 19 6271 1 1 14 GLN CG C -1.046 -3.239 -3.979 1.00 . A A . 14 GLN CG 1 1 19 6272 1 1 14 GLN H H -1.729 -1.403 -0.009 1.00 . A A . 14 GLN H 1 1 19 6273 1 1 14 GLN HA H -2.268 -3.676 -1.751 1.00 . A A . 14 GLN HA 1 1 19 6274 1 1 14 GLN HB2 H -1.343 -1.414 -2.953 1.00 . A A . 14 GLN HB2 1 1 19 6275 1 1 14 GLN HB3 H 0.182 -2.140 -2.570 1.00 . A A . 14 GLN HB3 1 1 19 6276 1 1 14 GLN HE21 H 1.424 -3.751 -3.029 1.00 . A A . 14 GLN HE21 1 1 19 6277 1 1 14 GLN HE22 H 1.539 -5.348 -3.752 1.00 . A A . 14 GLN HE22 1 1 19 6278 1 1 14 GLN HG2 H -2.091 -3.541 -4.051 1.00 . A A . 14 GLN HG2 1 1 19 6279 1 1 14 GLN HG3 H -0.832 -2.623 -4.851 1.00 . A A . 14 GLN HG3 1 1 19 6280 1 1 14 GLN N N -2.242 -1.865 -0.751 1.00 . A A . 14 GLN N 1 1 19 6281 1 1 14 GLN NE2 N 1.056 -4.477 -3.615 1.00 . A A . 14 GLN NE2 1 1 19 6282 1 1 14 GLN O O -1.089 -4.592 0.231 1.00 . A A . 14 GLN O 1 1 19 6283 1 1 14 GLN OE1 O -0.547 -5.487 -4.661 1.00 . A A . 14 GLN OE1 1 1 19 6284 1 1 15 TYR C C 2.961 -3.107 0.719 1.00 . A A . 15 TYR C 1 1 19 6285 1 1 15 TYR CA C 1.729 -4.030 0.426 1.00 . A A . 15 TYR CA 1 1 19 6286 1 1 15 TYR CB C 2.102 -5.341 -0.321 1.00 . A A . 15 TYR CB 1 1 19 6287 1 1 15 TYR CD1 C 0.966 -7.042 1.206 1.00 . A A . 15 TYR CD1 1 1 19 6288 1 1 15 TYR CD2 C 0.706 -7.281 -1.202 1.00 . A A . 15 TYR CD2 1 1 19 6289 1 1 15 TYR CE1 C 0.224 -8.220 1.409 1.00 . A A . 15 TYR CE1 1 1 19 6290 1 1 15 TYR CE2 C -0.033 -8.465 -1.007 1.00 . A A . 15 TYR CE2 1 1 19 6291 1 1 15 TYR CG C 1.213 -6.562 -0.098 1.00 . A A . 15 TYR CG 1 1 19 6292 1 1 15 TYR CZ C -0.270 -8.938 0.302 1.00 . A A . 15 TYR CZ 1 1 19 6293 1 1 15 TYR H H 0.961 -2.481 -0.789 1.00 . A A . 15 TYR H 1 1 19 6294 1 1 15 TYR HA H 1.311 -4.297 1.395 1.00 . A A . 15 TYR HA 1 1 19 6295 1 1 15 TYR HB2 H 2.141 -5.127 -1.384 1.00 . A A . 15 TYR HB2 1 1 19 6296 1 1 15 TYR HB3 H 3.110 -5.652 -0.071 1.00 . A A . 15 TYR HB3 1 1 19 6297 1 1 15 TYR HD1 H 1.373 -6.520 2.057 1.00 . A A . 15 TYR HD1 1 1 19 6298 1 1 15 TYR HD2 H 0.895 -6.933 -2.206 1.00 . A A . 15 TYR HD2 1 1 19 6299 1 1 15 TYR HE1 H 0.050 -8.601 2.402 1.00 . A A . 15 TYR HE1 1 1 19 6300 1 1 15 TYR HE2 H -0.407 -9.007 -1.860 1.00 . A A . 15 TYR HE2 1 1 19 6301 1 1 15 TYR HH H -1.038 -10.563 -0.334 1.00 . A A . 15 TYR HH 1 1 19 6302 1 1 15 TYR N N 0.689 -3.359 -0.365 1.00 . A A . 15 TYR N 1 1 19 6303 1 1 15 TYR O O 4.081 -3.442 0.340 1.00 . A A . 15 TYR O 1 1 19 6304 1 1 15 TYR OH O -0.946 -10.101 0.497 1.00 . A A . 15 TYR OH 1 1 19 6305 1 1 16 TRP C C 4.180 0.230 1.192 1.00 . A A . 16 TRP C 1 1 19 6306 1 1 16 TRP CA C 3.785 -1.030 2.018 1.00 . A A . 16 TRP CA 1 1 19 6307 1 1 16 TRP CB C 5.029 -1.820 2.476 1.00 . A A . 16 TRP CB 1 1 19 6308 1 1 16 TRP CD1 C 7.286 -0.786 2.919 1.00 . A A . 16 TRP CD1 1 1 19 6309 1 1 16 TRP CD2 C 6.120 -1.065 4.810 1.00 . A A . 16 TRP CD2 1 1 19 6310 1 1 16 TRP CE2 C 7.386 -0.524 5.182 1.00 . A A . 16 TRP CE2 1 1 19 6311 1 1 16 TRP CE3 C 5.237 -1.373 5.862 1.00 . A A . 16 TRP CE3 1 1 19 6312 1 1 16 TRP CG C 6.072 -1.193 3.355 1.00 . A A . 16 TRP CG 1 1 19 6313 1 1 16 TRP CH2 C 6.798 -0.505 7.529 1.00 . A A . 16 TRP CH2 1 1 19 6314 1 1 16 TRP CZ2 C 7.719 -0.213 6.509 1.00 . A A . 16 TRP CZ2 1 1 19 6315 1 1 16 TRP CZ3 C 5.566 -1.101 7.204 1.00 . A A . 16 TRP CZ3 1 1 19 6316 1 1 16 TRP H H 1.793 -1.691 1.462 1.00 . A A . 16 TRP H 1 1 19 6317 1 1 16 TRP HA H 3.335 -0.658 2.931 1.00 . A A . 16 TRP HA 1 1 19 6318 1 1 16 TRP HB2 H 4.693 -2.729 2.977 1.00 . A A . 16 TRP HB2 1 1 19 6319 1 1 16 TRP HB3 H 5.563 -2.116 1.584 1.00 . A A . 16 TRP HB3 1 1 19 6320 1 1 16 TRP HD1 H 7.602 -0.804 1.883 1.00 . A A . 16 TRP HD1 1 1 19 6321 1 1 16 TRP HE1 H 9.072 -0.268 3.911 1.00 . A A . 16 TRP HE1 1 1 19 6322 1 1 16 TRP HE3 H 4.307 -1.849 5.609 1.00 . A A . 16 TRP HE3 1 1 19 6323 1 1 16 TRP HH2 H 7.057 -0.333 8.564 1.00 . A A . 16 TRP HH2 1 1 19 6324 1 1 16 TRP HZ2 H 8.693 0.181 6.753 1.00 . A A . 16 TRP HZ2 1 1 19 6325 1 1 16 TRP HZ3 H 4.886 -1.395 7.991 1.00 . A A . 16 TRP HZ3 1 1 19 6326 1 1 16 TRP N N 2.772 -1.943 1.389 1.00 . A A . 16 TRP N 1 1 19 6327 1 1 16 TRP NE1 N 8.085 -0.468 3.997 1.00 . A A . 16 TRP NE1 1 1 19 6328 1 1 16 TRP O O 4.950 0.154 0.241 1.00 . A A . 16 TRP O 1 1 19 6329 1 1 17 ASP C C 5.286 3.438 1.307 1.00 . A A . 17 ASP C 1 1 19 6330 1 1 17 ASP CA C 3.944 2.752 0.940 1.00 . A A . 17 ASP CA 1 1 19 6331 1 1 17 ASP CB C 2.792 3.734 1.300 1.00 . A A . 17 ASP CB 1 1 19 6332 1 1 17 ASP CG C 1.827 4.039 0.142 1.00 . A A . 17 ASP CG 1 1 19 6333 1 1 17 ASP H H 3.045 1.406 2.349 1.00 . A A . 17 ASP H 1 1 19 6334 1 1 17 ASP HA H 3.964 2.618 -0.143 1.00 . A A . 17 ASP HA 1 1 19 6335 1 1 17 ASP HB2 H 2.246 3.339 2.155 1.00 . A A . 17 ASP HB2 1 1 19 6336 1 1 17 ASP HB3 H 3.191 4.693 1.630 1.00 . A A . 17 ASP HB3 1 1 19 6337 1 1 17 ASP N N 3.702 1.426 1.589 1.00 . A A . 17 ASP N 1 1 19 6338 1 1 17 ASP O O 5.547 4.575 0.912 1.00 . A A . 17 ASP O 1 1 19 6339 1 1 17 ASP OD1 O 2.303 4.344 -0.971 1.00 . A A . 17 ASP OD1 1 1 19 6340 1 1 17 ASP OD2 O 0.603 3.863 0.337 1.00 . A A . 17 ASP OD2 1 1 19 6341 1 1 18 GLN C C 8.290 4.020 1.707 1.00 . A A . 18 GLN C 1 1 19 6342 1 1 18 GLN CA C 7.260 3.547 2.747 1.00 . A A . 18 GLN CA 1 1 19 6343 1 1 18 GLN CB C 7.941 2.651 3.786 1.00 . A A . 18 GLN CB 1 1 19 6344 1 1 18 GLN CD C 8.437 4.605 5.344 1.00 . A A . 18 GLN CD 1 1 19 6345 1 1 18 GLN CG C 8.973 3.337 4.695 1.00 . A A . 18 GLN CG 1 1 19 6346 1 1 18 GLN H H 5.956 1.854 2.345 1.00 . A A . 18 GLN H 1 1 19 6347 1 1 18 GLN HA H 6.853 4.429 3.246 1.00 . A A . 18 GLN HA 1 1 19 6348 1 1 18 GLN HB2 H 7.175 2.199 4.415 1.00 . A A . 18 GLN HB2 1 1 19 6349 1 1 18 GLN HB3 H 8.465 1.871 3.237 1.00 . A A . 18 GLN HB3 1 1 19 6350 1 1 18 GLN HE21 H 7.313 3.609 6.703 1.00 . A A . 18 GLN HE21 1 1 19 6351 1 1 18 GLN HE22 H 7.232 5.368 6.712 1.00 . A A . 18 GLN HE22 1 1 19 6352 1 1 18 GLN HG2 H 9.287 2.637 5.470 1.00 . A A . 18 GLN HG2 1 1 19 6353 1 1 18 GLN HG3 H 9.852 3.595 4.106 1.00 . A A . 18 GLN HG3 1 1 19 6354 1 1 18 GLN N N 6.128 2.828 2.146 1.00 . A A . 18 GLN N 1 1 19 6355 1 1 18 GLN NE2 N 7.610 4.508 6.358 1.00 . A A . 18 GLN NE2 1 1 19 6356 1 1 18 GLN O O 8.607 3.324 0.748 1.00 . A A . 18 GLN O 1 1 19 6357 1 1 18 GLN OE1 O 8.750 5.714 4.924 1.00 . A A . 18 GLN OE1 1 1 19 6358 1 1 19 HIS C C 11.354 4.961 1.170 1.00 . A A . 19 HIS C 1 1 19 6359 1 1 19 HIS CA C 10.016 5.753 1.172 1.00 . A A . 19 HIS CA 1 1 19 6360 1 1 19 HIS CB C 10.167 7.241 1.564 1.00 . A A . 19 HIS CB 1 1 19 6361 1 1 19 HIS CD2 C 12.379 7.935 2.640 1.00 . A A . 19 HIS CD2 1 1 19 6362 1 1 19 HIS CE1 C 11.911 7.630 4.780 1.00 . A A . 19 HIS CE1 1 1 19 6363 1 1 19 HIS CG C 11.077 7.530 2.742 1.00 . A A . 19 HIS CG 1 1 19 6364 1 1 19 HIS H H 8.605 5.641 2.805 1.00 . A A . 19 HIS H 1 1 19 6365 1 1 19 HIS HA H 9.674 5.729 0.136 1.00 . A A . 19 HIS HA 1 1 19 6366 1 1 19 HIS HB2 H 10.569 7.767 0.695 1.00 . A A . 19 HIS HB2 1 1 19 6367 1 1 19 HIS HB3 H 9.181 7.670 1.757 1.00 . A A . 19 HIS HB3 1 1 19 6368 1 1 19 HIS HD1 H 9.913 6.971 4.454 1.00 . A A . 19 HIS HD1 1 1 19 6369 1 1 19 HIS HD2 H 12.912 8.084 1.706 1.00 . A A . 19 HIS HD2 1 1 19 6370 1 1 19 HIS HE1 H 12.019 7.528 5.855 1.00 . A A . 19 HIS HE1 1 1 19 6371 1 1 19 HIS HE2 H 13.858 8.198 4.154 1.00 . A A . 19 HIS HE2 1 1 19 6372 1 1 19 HIS N N 8.934 5.159 1.980 1.00 . A A . 19 HIS N 1 1 19 6373 1 1 19 HIS ND1 N 10.790 7.351 4.081 1.00 . A A . 19 HIS ND1 1 1 19 6374 1 1 19 HIS NE2 N 12.891 7.990 3.922 1.00 . A A . 19 HIS NE2 1 1 19 6375 1 1 19 HIS O O 12.419 5.551 0.999 1.00 . A A . 19 HIS O 1 1 19 6376 1 1 20 ALA C C 12.295 1.506 0.658 1.00 . A A . 20 ALA C 1 1 19 6377 1 1 20 ALA CA C 12.468 2.751 1.554 1.00 . A A . 20 ALA CA 1 1 19 6378 1 1 20 ALA CB C 12.581 2.367 3.036 1.00 . A A . 20 ALA CB 1 1 19 6379 1 1 20 ALA H H 10.416 3.205 1.307 1.00 . A A . 20 ALA H 1 1 19 6380 1 1 20 ALA HA H 13.378 3.270 1.252 1.00 . A A . 20 ALA HA 1 1 19 6381 1 1 20 ALA HB1 H 12.868 3.235 3.626 1.00 . A A . 20 ALA HB1 1 1 19 6382 1 1 20 ALA HB2 H 11.624 1.982 3.389 1.00 . A A . 20 ALA HB2 1 1 19 6383 1 1 20 ALA HB3 H 13.329 1.585 3.167 1.00 . A A . 20 ALA HB3 1 1 19 6384 1 1 20 ALA N N 11.323 3.651 1.414 1.00 . A A . 20 ALA N 1 1 19 6385 1 1 20 ALA O O 11.160 1.109 0.405 1.00 . A A . 20 ALA O 1 1 19 6386 1 1 21 PRO C C 12.782 -1.531 -0.163 1.00 . A A . 21 PRO C 1 1 19 6387 1 1 21 PRO CA C 13.318 -0.229 -0.775 1.00 . A A . 21 PRO CA 1 1 19 6388 1 1 21 PRO CB C 14.752 -0.402 -1.288 1.00 . A A . 21 PRO CB 1 1 19 6389 1 1 21 PRO CD C 14.780 1.201 0.483 1.00 . A A . 21 PRO CD 1 1 19 6390 1 1 21 PRO CG C 15.608 0.061 -0.108 1.00 . A A . 21 PRO CG 1 1 19 6391 1 1 21 PRO HA H 12.666 0.040 -1.607 1.00 . A A . 21 PRO HA 1 1 19 6392 1 1 21 PRO HB2 H 14.972 -1.433 -1.570 1.00 . A A . 21 PRO HB2 1 1 19 6393 1 1 21 PRO HB3 H 14.915 0.264 -2.137 1.00 . A A . 21 PRO HB3 1 1 19 6394 1 1 21 PRO HD2 H 14.957 1.272 1.557 1.00 . A A . 21 PRO HD2 1 1 19 6395 1 1 21 PRO HD3 H 15.043 2.138 -0.009 1.00 . A A . 21 PRO HD3 1 1 19 6396 1 1 21 PRO HG2 H 15.700 -0.746 0.622 1.00 . A A . 21 PRO HG2 1 1 19 6397 1 1 21 PRO HG3 H 16.593 0.402 -0.428 1.00 . A A . 21 PRO HG3 1 1 19 6398 1 1 21 PRO N N 13.391 0.878 0.185 1.00 . A A . 21 PRO N 1 1 19 6399 1 1 21 PRO O O 12.216 -2.353 -0.874 1.00 . A A . 21 PRO O 1 1 19 6400 1 1 22 LEU C C 12.396 -2.313 3.455 1.00 . A A . 22 LEU C 1 1 19 6401 1 1 22 LEU CA C 12.382 -2.755 1.983 1.00 . A A . 22 LEU CA 1 1 19 6402 1 1 22 LEU CB C 13.083 -4.105 1.722 1.00 . A A . 22 LEU CB 1 1 19 6403 1 1 22 LEU CD1 C 14.967 -4.928 3.211 1.00 . A A . 22 LEU CD1 1 1 19 6404 1 1 22 LEU CD2 C 15.341 -4.722 0.760 1.00 . A A . 22 LEU CD2 1 1 19 6405 1 1 22 LEU CG C 14.607 -4.123 1.965 1.00 . A A . 22 LEU CG 1 1 19 6406 1 1 22 LEU H H 13.414 -0.969 1.663 1.00 . A A . 22 LEU H 1 1 19 6407 1 1 22 LEU HA H 11.340 -2.860 1.700 1.00 . A A . 22 LEU HA 1 1 19 6408 1 1 22 LEU HB2 H 12.606 -4.879 2.326 1.00 . A A . 22 LEU HB2 1 1 19 6409 1 1 22 LEU HB3 H 12.887 -4.378 0.686 1.00 . A A . 22 LEU HB3 1 1 19 6410 1 1 22 LEU HD11 H 14.613 -5.957 3.105 1.00 . A A . 22 LEU HD11 1 1 19 6411 1 1 22 LEU HD12 H 14.489 -4.500 4.092 1.00 . A A . 22 LEU HD12 1 1 19 6412 1 1 22 LEU HD13 H 16.045 -4.932 3.363 1.00 . A A . 22 LEU HD13 1 1 19 6413 1 1 22 LEU HD21 H 14.981 -5.736 0.576 1.00 . A A . 22 LEU HD21 1 1 19 6414 1 1 22 LEU HD22 H 16.411 -4.754 0.959 1.00 . A A . 22 LEU HD22 1 1 19 6415 1 1 22 LEU HD23 H 15.155 -4.114 -0.124 1.00 . A A . 22 LEU HD23 1 1 19 6416 1 1 22 LEU HG H 14.973 -3.106 2.102 1.00 . A A . 22 LEU HG 1 1 19 6417 1 1 22 LEU N N 12.961 -1.707 1.147 1.00 . A A . 22 LEU N 1 1 19 6418 1 1 22 LEU O O 12.919 -1.236 3.767 1.00 . A A . 22 LEU O 1 1 19 6419 1 1 23 ALA C C 11.573 -4.070 6.675 1.00 . A A . 23 ALA C 1 1 19 6420 1 1 23 ALA CA C 11.697 -2.818 5.778 1.00 . A A . 23 ALA CA 1 1 19 6421 1 1 23 ALA CB C 10.505 -1.884 6.009 1.00 . A A . 23 ALA CB 1 1 19 6422 1 1 23 ALA H H 11.378 -3.969 4.014 1.00 . A A . 23 ALA H 1 1 19 6423 1 1 23 ALA HA H 12.606 -2.306 6.095 1.00 . A A . 23 ALA HA 1 1 19 6424 1 1 23 ALA HB1 H 10.421 -1.659 7.073 1.00 . A A . 23 ALA HB1 1 1 19 6425 1 1 23 ALA HB2 H 10.651 -0.957 5.457 1.00 . A A . 23 ALA HB2 1 1 19 6426 1 1 23 ALA HB3 H 9.590 -2.381 5.683 1.00 . A A . 23 ALA HB3 1 1 19 6427 1 1 23 ALA N N 11.781 -3.099 4.338 1.00 . A A . 23 ALA N 1 1 19 6428 1 1 23 ALA O O 11.532 -3.914 7.894 1.00 . A A . 23 ALA O 1 1 19 6429 1 1 24 ASP C C 12.367 -7.498 5.761 1.00 . A A . 24 ASP C 1 1 19 6430 1 1 24 ASP CA C 11.445 -6.611 6.632 1.00 . A A . 24 ASP CA 1 1 19 6431 1 1 24 ASP CB C 9.960 -7.069 6.627 1.00 . A A . 24 ASP CB 1 1 19 6432 1 1 24 ASP CG C 9.541 -8.080 7.718 1.00 . A A . 24 ASP CG 1 1 19 6433 1 1 24 ASP H H 11.729 -5.363 5.083 1.00 . A A . 24 ASP H 1 1 19 6434 1 1 24 ASP HA H 11.820 -6.623 7.655 1.00 . A A . 24 ASP HA 1 1 19 6435 1 1 24 ASP HB2 H 9.326 -6.189 6.766 1.00 . A A . 24 ASP HB2 1 1 19 6436 1 1 24 ASP HB3 H 9.722 -7.475 5.641 1.00 . A A . 24 ASP HB3 1 1 19 6437 1 1 24 ASP N N 11.521 -5.256 6.067 1.00 . A A . 24 ASP N 1 1 19 6438 1 1 24 ASP O O 13.004 -8.426 6.300 1.00 . A A . 24 ASP O 1 1 19 6439 1 1 24 ASP OXT O 12.528 -7.124 4.568 1.00 . A A . 24 ASP OXT 1 1 19 6440 1 1 24 ASP OD1 O 9.889 -7.869 8.905 1.00 . A A . 24 ASP OD1 1 1 19 6441 1 1 24 ASP OD2 O 8.735 -8.983 7.387 1.00 . A A . 24 ASP OD2 1 1 20 6442 1 1 1 GLY C C 1.836 0.019 -2.285 1.00 . A A . 1 GLY C 1 1 20 6443 1 1 1 GLY CA C 0.897 1.017 -1.571 1.00 . A A . 1 GLY CA 1 1 20 6444 1 1 1 GLY H1 H 1.019 -0.180 0.168 1.00 . A A . 1 GLY H1 1 1 20 6445 1 1 1 GLY HA2 H 0.003 1.121 -2.180 1.00 . A A . 1 GLY HA2 1 1 20 6446 1 1 1 GLY HA3 H 1.384 1.984 -1.537 1.00 . A A . 1 GLY HA3 1 1 20 6447 1 1 1 GLY N N 0.515 0.606 -0.213 1.00 . A A . 1 GLY N 1 1 20 6448 1 1 1 GLY O O 2.019 -1.103 -1.820 1.00 . A A . 1 GLY O 1 1 20 6449 1 1 2 PRO C C 4.334 -1.114 -4.168 1.00 . A A . 2 PRO C 1 1 20 6450 1 1 2 PRO CA C 2.866 -0.684 -4.428 1.00 . A A . 2 PRO CA 1 1 20 6451 1 1 2 PRO CB C 2.648 -0.046 -5.809 1.00 . A A . 2 PRO CB 1 1 20 6452 1 1 2 PRO CD C 2.185 1.608 -4.160 1.00 . A A . 2 PRO CD 1 1 20 6453 1 1 2 PRO CG C 2.836 1.445 -5.533 1.00 . A A . 2 PRO CG 1 1 20 6454 1 1 2 PRO HA H 2.256 -1.585 -4.389 1.00 . A A . 2 PRO HA 1 1 20 6455 1 1 2 PRO HB2 H 3.341 -0.417 -6.565 1.00 . A A . 2 PRO HB2 1 1 20 6456 1 1 2 PRO HB3 H 1.621 -0.224 -6.134 1.00 . A A . 2 PRO HB3 1 1 20 6457 1 1 2 PRO HD2 H 2.684 2.398 -3.597 1.00 . A A . 2 PRO HD2 1 1 20 6458 1 1 2 PRO HD3 H 1.128 1.849 -4.278 1.00 . A A . 2 PRO HD3 1 1 20 6459 1 1 2 PRO HG2 H 3.900 1.675 -5.470 1.00 . A A . 2 PRO HG2 1 1 20 6460 1 1 2 PRO HG3 H 2.359 2.068 -6.290 1.00 . A A . 2 PRO HG3 1 1 20 6461 1 1 2 PRO N N 2.327 0.320 -3.498 1.00 . A A . 2 PRO N 1 1 20 6462 1 1 2 PRO O O 5.226 -0.769 -4.943 1.00 . A A . 2 PRO O 1 1 20 6463 1 1 3 THR C C 5.573 -4.088 -2.358 1.00 . A A . 3 THR C 1 1 20 6464 1 1 3 THR CA C 5.862 -2.664 -2.919 1.00 . A A . 3 THR CA 1 1 20 6465 1 1 3 THR CB C 6.826 -1.746 -2.128 1.00 . A A . 3 THR CB 1 1 20 6466 1 1 3 THR CG2 C 7.084 -2.031 -0.656 1.00 . A A . 3 THR CG2 1 1 20 6467 1 1 3 THR H H 3.840 -2.142 -2.478 1.00 . A A . 3 THR H 1 1 20 6468 1 1 3 THR HA H 6.312 -2.815 -3.899 1.00 . A A . 3 THR HA 1 1 20 6469 1 1 3 THR HB H 6.445 -0.725 -2.195 1.00 . A A . 3 THR HB 1 1 20 6470 1 1 3 THR HG1 H 8.584 -1.023 -2.332 1.00 . A A . 3 THR HG1 1 1 20 6471 1 1 3 THR HG21 H 7.612 -1.180 -0.226 1.00 . A A . 3 THR HG21 1 1 20 6472 1 1 3 THR HG22 H 7.682 -2.922 -0.533 1.00 . A A . 3 THR HG22 1 1 20 6473 1 1 3 THR HG23 H 6.146 -2.157 -0.131 1.00 . A A . 3 THR HG23 1 1 20 6474 1 1 3 THR N N 4.586 -1.933 -3.139 1.00 . A A . 3 THR N 1 1 20 6475 1 1 3 THR O O 4.407 -4.482 -2.401 1.00 . A A . 3 THR O 1 1 20 6476 1 1 3 THR OG1 O 8.094 -1.741 -2.741 1.00 . A A . 3 THR OG1 1 1 20 6477 1 1 4 PRO C C 5.998 -6.538 0.023 1.00 . A A . 4 PRO C 1 1 20 6478 1 1 4 PRO CA C 6.223 -6.324 -1.496 1.00 . A A . 4 PRO CA 1 1 20 6479 1 1 4 PRO CB C 7.359 -7.215 -2.013 1.00 . A A . 4 PRO CB 1 1 20 6480 1 1 4 PRO CD C 7.908 -4.942 -2.510 1.00 . A A . 4 PRO CD 1 1 20 6481 1 1 4 PRO CG C 8.553 -6.273 -2.121 1.00 . A A . 4 PRO CG 1 1 20 6482 1 1 4 PRO HA H 5.310 -6.673 -1.977 1.00 . A A . 4 PRO HA 1 1 20 6483 1 1 4 PRO HB2 H 7.572 -8.055 -1.349 1.00 . A A . 4 PRO HB2 1 1 20 6484 1 1 4 PRO HB3 H 7.102 -7.583 -3.007 1.00 . A A . 4 PRO HB3 1 1 20 6485 1 1 4 PRO HD2 H 8.505 -4.125 -2.113 1.00 . A A . 4 PRO HD2 1 1 20 6486 1 1 4 PRO HD3 H 7.865 -4.869 -3.598 1.00 . A A . 4 PRO HD3 1 1 20 6487 1 1 4 PRO HG2 H 9.044 -6.188 -1.152 1.00 . A A . 4 PRO HG2 1 1 20 6488 1 1 4 PRO HG3 H 9.266 -6.609 -2.876 1.00 . A A . 4 PRO HG3 1 1 20 6489 1 1 4 PRO N N 6.545 -4.961 -1.981 1.00 . A A . 4 PRO N 1 1 20 6490 1 1 4 PRO O O 5.527 -7.614 0.392 1.00 . A A . 4 PRO O 1 1 20 6491 1 1 5 MET C C 4.766 -5.477 2.898 1.00 . A A . 5 MET C 1 1 20 6492 1 1 5 MET CA C 6.192 -5.766 2.382 1.00 . A A . 5 MET CA 1 1 20 6493 1 1 5 MET CB C 7.224 -4.891 3.120 1.00 . A A . 5 MET CB 1 1 20 6494 1 1 5 MET CE C 9.586 -4.540 0.967 1.00 . A A . 5 MET CE 1 1 20 6495 1 1 5 MET CG C 8.577 -5.589 3.337 1.00 . A A . 5 MET CG 1 1 20 6496 1 1 5 MET H H 6.636 -4.709 0.545 1.00 . A A . 5 MET H 1 1 20 6497 1 1 5 MET HA H 6.402 -6.809 2.625 1.00 . A A . 5 MET HA 1 1 20 6498 1 1 5 MET HB2 H 7.366 -3.953 2.584 1.00 . A A . 5 MET HB2 1 1 20 6499 1 1 5 MET HB3 H 6.843 -4.644 4.113 1.00 . A A . 5 MET HB3 1 1 20 6500 1 1 5 MET HE1 H 9.599 -3.703 1.664 1.00 . A A . 5 MET HE1 1 1 20 6501 1 1 5 MET HE2 H 10.470 -4.520 0.328 1.00 . A A . 5 MET HE2 1 1 20 6502 1 1 5 MET HE3 H 8.696 -4.478 0.352 1.00 . A A . 5 MET HE3 1 1 20 6503 1 1 5 MET HG2 H 9.205 -4.918 3.925 1.00 . A A . 5 MET HG2 1 1 20 6504 1 1 5 MET HG3 H 8.407 -6.478 3.947 1.00 . A A . 5 MET HG3 1 1 20 6505 1 1 5 MET N N 6.321 -5.590 0.912 1.00 . A A . 5 MET N 1 1 20 6506 1 1 5 MET O O 3.945 -4.907 2.190 1.00 . A A . 5 MET O 1 1 20 6507 1 1 5 MET SD S 9.527 -6.097 1.872 1.00 . A A . 5 MET SD 1 1 20 6508 1 1 6 VAL C C 2.957 -4.565 5.761 1.00 . A A . 6 VAL C 1 1 20 6509 1 1 6 VAL CA C 3.067 -5.666 4.700 1.00 . A A . 6 VAL CA 1 1 20 6510 1 1 6 VAL CB C 2.530 -7.029 5.182 1.00 . A A . 6 VAL CB 1 1 20 6511 1 1 6 VAL CG1 C 3.250 -7.600 6.408 1.00 . A A . 6 VAL CG1 1 1 20 6512 1 1 6 VAL CG2 C 1.028 -6.956 5.484 1.00 . A A . 6 VAL CG2 1 1 20 6513 1 1 6 VAL H H 5.154 -6.220 4.738 1.00 . A A . 6 VAL H 1 1 20 6514 1 1 6 VAL HA H 2.403 -5.366 3.888 1.00 . A A . 6 VAL HA 1 1 20 6515 1 1 6 VAL HB H 2.662 -7.739 4.363 1.00 . A A . 6 VAL HB 1 1 20 6516 1 1 6 VAL HG11 H 4.317 -7.699 6.208 1.00 . A A . 6 VAL HG11 1 1 20 6517 1 1 6 VAL HG12 H 3.117 -6.953 7.274 1.00 . A A . 6 VAL HG12 1 1 20 6518 1 1 6 VAL HG13 H 2.854 -8.587 6.638 1.00 . A A . 6 VAL HG13 1 1 20 6519 1 1 6 VAL HG21 H 0.844 -6.322 6.351 1.00 . A A . 6 VAL HG21 1 1 20 6520 1 1 6 VAL HG22 H 0.499 -6.553 4.620 1.00 . A A . 6 VAL HG22 1 1 20 6521 1 1 6 VAL HG23 H 0.652 -7.956 5.696 1.00 . A A . 6 VAL HG23 1 1 20 6522 1 1 6 VAL N N 4.437 -5.813 4.152 1.00 . A A . 6 VAL N 1 1 20 6523 1 1 6 VAL O O 3.786 -4.454 6.658 1.00 . A A . 6 VAL O 1 1 20 6524 1 1 7 GLY C C 1.674 -1.259 5.917 1.00 . A A . 7 GLY C 1 1 20 6525 1 1 7 GLY CA C 1.616 -2.634 6.593 1.00 . A A . 7 GLY CA 1 1 20 6526 1 1 7 GLY H H 1.317 -3.847 4.857 1.00 . A A . 7 GLY H 1 1 20 6527 1 1 7 GLY HA2 H 0.619 -2.776 7.011 1.00 . A A . 7 GLY HA2 1 1 20 6528 1 1 7 GLY HA3 H 2.332 -2.638 7.416 1.00 . A A . 7 GLY HA3 1 1 20 6529 1 1 7 GLY N N 1.903 -3.744 5.671 1.00 . A A . 7 GLY N 1 1 20 6530 1 1 7 GLY O O 1.683 -1.170 4.692 1.00 . A A . 7 GLY O 1 1 20 6531 1 1 8 LEU C C 0.826 1.862 5.505 1.00 . A A . 8 LEU C 1 1 20 6532 1 1 8 LEU CA C 1.922 1.234 6.387 1.00 . A A . 8 LEU CA 1 1 20 6533 1 1 8 LEU CB C 3.342 1.437 5.801 1.00 . A A . 8 LEU CB 1 1 20 6534 1 1 8 LEU CD1 C 3.243 4.019 5.630 1.00 . A A . 8 LEU CD1 1 1 20 6535 1 1 8 LEU CD2 C 4.460 2.963 7.513 1.00 . A A . 8 LEU CD2 1 1 20 6536 1 1 8 LEU CG C 4.045 2.788 6.049 1.00 . A A . 8 LEU CG 1 1 20 6537 1 1 8 LEU H H 1.712 -0.409 7.715 1.00 . A A . 8 LEU H 1 1 20 6538 1 1 8 LEU HA H 1.879 1.781 7.329 1.00 . A A . 8 LEU HA 1 1 20 6539 1 1 8 LEU HB2 H 3.994 0.677 6.223 1.00 . A A . 8 LEU HB2 1 1 20 6540 1 1 8 LEU HB3 H 3.315 1.265 4.724 1.00 . A A . 8 LEU HB3 1 1 20 6541 1 1 8 LEU HD11 H 2.391 4.170 6.296 1.00 . A A . 8 LEU HD11 1 1 20 6542 1 1 8 LEU HD12 H 2.878 3.899 4.609 1.00 . A A . 8 LEU HD12 1 1 20 6543 1 1 8 LEU HD13 H 3.878 4.904 5.671 1.00 . A A . 8 LEU HD13 1 1 20 6544 1 1 8 LEU HD21 H 5.087 3.846 7.614 1.00 . A A . 8 LEU HD21 1 1 20 6545 1 1 8 LEU HD22 H 5.020 2.089 7.842 1.00 . A A . 8 LEU HD22 1 1 20 6546 1 1 8 LEU HD23 H 3.584 3.079 8.149 1.00 . A A . 8 LEU HD23 1 1 20 6547 1 1 8 LEU HG H 4.960 2.781 5.455 1.00 . A A . 8 LEU HG 1 1 20 6548 1 1 8 LEU N N 1.727 -0.193 6.731 1.00 . A A . 8 LEU N 1 1 20 6549 1 1 8 LEU O O 0.134 2.770 5.952 1.00 . A A . 8 LEU O 1 1 20 6550 1 1 9 ASP C C -1.292 2.680 3.396 1.00 . A A . 9 ASP C 1 1 20 6551 1 1 9 ASP CA C 0.026 1.951 3.097 1.00 . A A . 9 ASP CA 1 1 20 6552 1 1 9 ASP CB C -0.127 0.799 2.089 1.00 . A A . 9 ASP CB 1 1 20 6553 1 1 9 ASP CG C -0.342 1.213 0.623 1.00 . A A . 9 ASP CG 1 1 20 6554 1 1 9 ASP H H 1.224 0.531 4.117 1.00 . A A . 9 ASP H 1 1 20 6555 1 1 9 ASP HA H 0.700 2.696 2.689 1.00 . A A . 9 ASP HA 1 1 20 6556 1 1 9 ASP HB2 H 0.784 0.199 2.140 1.00 . A A . 9 ASP HB2 1 1 20 6557 1 1 9 ASP HB3 H -0.944 0.153 2.421 1.00 . A A . 9 ASP HB3 1 1 20 6558 1 1 9 ASP N N 0.686 1.374 4.276 1.00 . A A . 9 ASP N 1 1 20 6559 1 1 9 ASP O O -1.419 3.874 3.141 1.00 . A A . 9 ASP O 1 1 20 6560 1 1 9 ASP OD1 O -1.558 1.261 0.303 1.00 . A A . 9 ASP OD1 1 1 20 6561 1 1 10 SER C C -4.485 3.242 3.624 1.00 . A A . 10 SER C 1 1 20 6562 1 1 10 SER CA C -3.532 2.477 4.565 1.00 . A A . 10 SER CA 1 1 20 6563 1 1 10 SER CB C -3.264 3.323 5.820 1.00 . A A . 10 SER CB 1 1 20 6564 1 1 10 SER H H -2.016 1.014 4.183 1.00 . A A . 10 SER H 1 1 20 6565 1 1 10 SER HA H -4.090 1.605 4.902 1.00 . A A . 10 SER HA 1 1 20 6566 1 1 10 SER HB2 H -2.768 4.256 5.543 1.00 . A A . 10 SER HB2 1 1 20 6567 1 1 10 SER HB3 H -4.212 3.563 6.305 1.00 . A A . 10 SER HB3 1 1 20 6568 1 1 10 SER HG H -1.524 2.705 6.420 1.00 . A A . 10 SER HG 1 1 20 6569 1 1 10 SER N N -2.256 1.976 4.000 1.00 . A A . 10 SER N 1 1 20 6570 1 1 10 SER O O -5.632 3.482 3.998 1.00 . A A . 10 SER O 1 1 20 6571 1 1 10 SER OG O -2.446 2.614 6.733 1.00 . A A . 10 SER OG 1 1 20 6572 1 1 11 VAL C C -4.732 4.047 0.079 1.00 . A A . 11 VAL C 1 1 20 6573 1 1 11 VAL CA C -4.709 4.572 1.518 1.00 . A A . 11 VAL CA 1 1 20 6574 1 1 11 VAL CB C -4.029 5.957 1.599 1.00 . A A . 11 VAL CB 1 1 20 6575 1 1 11 VAL CG1 C -4.816 7.003 0.800 1.00 . A A . 11 VAL CG1 1 1 20 6576 1 1 11 VAL CG2 C -3.923 6.479 3.042 1.00 . A A . 11 VAL CG2 1 1 20 6577 1 1 11 VAL H H -3.048 3.484 2.305 1.00 . A A . 11 VAL H 1 1 20 6578 1 1 11 VAL HA H -5.746 4.692 1.832 1.00 . A A . 11 VAL HA 1 1 20 6579 1 1 11 VAL HB H -3.022 5.889 1.185 1.00 . A A . 11 VAL HB 1 1 20 6580 1 1 11 VAL HG11 H -4.313 7.967 0.864 1.00 . A A . 11 VAL HG11 1 1 20 6581 1 1 11 VAL HG12 H -4.870 6.716 -0.250 1.00 . A A . 11 VAL HG12 1 1 20 6582 1 1 11 VAL HG13 H -5.826 7.091 1.202 1.00 . A A . 11 VAL HG13 1 1 20 6583 1 1 11 VAL HG21 H -4.907 6.475 3.513 1.00 . A A . 11 VAL HG21 1 1 20 6584 1 1 11 VAL HG22 H -3.245 5.851 3.618 1.00 . A A . 11 VAL HG22 1 1 20 6585 1 1 11 VAL HG23 H -3.513 7.488 3.047 1.00 . A A . 11 VAL HG23 1 1 20 6586 1 1 11 VAL N N -4.045 3.619 2.421 1.00 . A A . 11 VAL N 1 1 20 6587 1 1 11 VAL O O -5.799 3.989 -0.524 1.00 . A A . 11 VAL O 1 1 20 6588 1 1 12 SER C C -3.953 1.486 -1.774 1.00 . A A . 12 SER C 1 1 20 6589 1 1 12 SER CA C -3.520 2.970 -1.796 1.00 . A A . 12 SER CA 1 1 20 6590 1 1 12 SER CB C -2.111 3.128 -2.378 1.00 . A A . 12 SER CB 1 1 20 6591 1 1 12 SER H H -2.738 3.656 0.077 1.00 . A A . 12 SER H 1 1 20 6592 1 1 12 SER HA H -4.200 3.487 -2.474 1.00 . A A . 12 SER HA 1 1 20 6593 1 1 12 SER HB2 H -1.816 4.178 -2.352 1.00 . A A . 12 SER HB2 1 1 20 6594 1 1 12 SER HB3 H -1.407 2.564 -1.776 1.00 . A A . 12 SER HB3 1 1 20 6595 1 1 12 SER HG H -2.648 1.883 -3.758 1.00 . A A . 12 SER HG 1 1 20 6596 1 1 12 SER N N -3.588 3.622 -0.473 1.00 . A A . 12 SER N 1 1 20 6597 1 1 12 SER O O -3.996 0.849 -2.829 1.00 . A A . 12 SER O 1 1 20 6598 1 1 12 SER OG O -2.085 2.673 -3.719 1.00 . A A . 12 SER OG 1 1 20 6599 1 1 13 GLY C C -3.947 -1.566 -0.580 1.00 . A A . 13 GLY C 1 1 20 6600 1 1 13 GLY CA C -4.895 -0.379 -0.390 1.00 . A A . 13 GLY CA 1 1 20 6601 1 1 13 GLY H H -4.078 1.520 0.201 1.00 . A A . 13 GLY H 1 1 20 6602 1 1 13 GLY HA2 H -5.292 -0.435 0.624 1.00 . A A . 13 GLY HA2 1 1 20 6603 1 1 13 GLY HA3 H -5.722 -0.505 -1.089 1.00 . A A . 13 GLY HA3 1 1 20 6604 1 1 13 GLY N N -4.296 0.945 -0.598 1.00 . A A . 13 GLY N 1 1 20 6605 1 1 13 GLY O O -4.418 -2.668 -0.852 1.00 . A A . 13 GLY O 1 1 20 6606 1 1 14 GLN C C -0.428 -2.489 -0.045 1.00 . A A . 14 GLN C 1 1 20 6607 1 1 14 GLN CA C -1.625 -2.279 -1.014 1.00 . A A . 14 GLN CA 1 1 20 6608 1 1 14 GLN CB C -1.254 -1.757 -2.426 1.00 . A A . 14 GLN CB 1 1 20 6609 1 1 14 GLN CD C -0.581 -3.906 -3.667 1.00 . A A . 14 GLN CD 1 1 20 6610 1 1 14 GLN CG C -1.543 -2.724 -3.582 1.00 . A A . 14 GLN CG 1 1 20 6611 1 1 14 GLN H H -2.319 -0.424 -0.219 1.00 . A A . 14 GLN H 1 1 20 6612 1 1 14 GLN HA H -2.076 -3.267 -1.131 1.00 . A A . 14 GLN HA 1 1 20 6613 1 1 14 GLN HB2 H -1.792 -0.832 -2.645 1.00 . A A . 14 GLN HB2 1 1 20 6614 1 1 14 GLN HB3 H -0.213 -1.499 -2.464 1.00 . A A . 14 GLN HB3 1 1 20 6615 1 1 14 GLN HE21 H 1.101 -2.873 -3.059 1.00 . A A . 14 GLN HE21 1 1 20 6616 1 1 14 GLN HE22 H 1.244 -4.583 -3.463 1.00 . A A . 14 GLN HE22 1 1 20 6617 1 1 14 GLN HG2 H -2.565 -3.094 -3.488 1.00 . A A . 14 GLN HG2 1 1 20 6618 1 1 14 GLN HG3 H -1.471 -2.173 -4.520 1.00 . A A . 14 GLN HG3 1 1 20 6619 1 1 14 GLN N N -2.632 -1.356 -0.485 1.00 . A A . 14 GLN N 1 1 20 6620 1 1 14 GLN NE2 N 0.694 -3.744 -3.374 1.00 . A A . 14 GLN NE2 1 1 20 6621 1 1 14 GLN O O -0.395 -1.989 1.078 1.00 . A A . 14 GLN O 1 1 20 6622 1 1 14 GLN OE1 O -0.954 -5.012 -4.006 1.00 . A A . 14 GLN OE1 1 1 20 6623 1 1 15 TYR C C 2.832 -2.694 0.497 1.00 . A A . 15 TYR C 1 1 20 6624 1 1 15 TYR CA C 1.707 -3.763 0.317 1.00 . A A . 15 TYR CA 1 1 20 6625 1 1 15 TYR CB C 2.166 -5.079 -0.362 1.00 . A A . 15 TYR CB 1 1 20 6626 1 1 15 TYR CD1 C 1.366 -6.924 1.180 1.00 . A A . 15 TYR CD1 1 1 20 6627 1 1 15 TYR CD2 C 0.335 -6.740 -1.017 1.00 . A A . 15 TYR CD2 1 1 20 6628 1 1 15 TYR CE1 C 0.525 -8.010 1.494 1.00 . A A . 15 TYR CE1 1 1 20 6629 1 1 15 TYR CE2 C -0.507 -7.828 -0.713 1.00 . A A . 15 TYR CE2 1 1 20 6630 1 1 15 TYR CG C 1.267 -6.274 -0.065 1.00 . A A . 15 TYR CG 1 1 20 6631 1 1 15 TYR CZ C -0.424 -8.456 0.548 1.00 . A A . 15 TYR CZ 1 1 20 6632 1 1 15 TYR H H 0.454 -3.715 -1.369 1.00 . A A . 15 TYR H 1 1 20 6633 1 1 15 TYR HA H 1.378 -4.026 1.323 1.00 . A A . 15 TYR HA 1 1 20 6634 1 1 15 TYR HB2 H 2.197 -4.935 -1.441 1.00 . A A . 15 TYR HB2 1 1 20 6635 1 1 15 TYR HB3 H 3.180 -5.333 -0.060 1.00 . A A . 15 TYR HB3 1 1 20 6636 1 1 15 TYR HD1 H 2.116 -6.599 1.884 1.00 . A A . 15 TYR HD1 1 1 20 6637 1 1 15 TYR HD2 H 0.272 -6.276 -1.991 1.00 . A A . 15 TYR HD2 1 1 20 6638 1 1 15 TYR HE1 H 0.626 -8.501 2.449 1.00 . A A . 15 TYR HE1 1 1 20 6639 1 1 15 TYR HE2 H -1.216 -8.196 -1.438 1.00 . A A . 15 TYR HE2 1 1 20 6640 1 1 15 TYR HH H -1.030 -9.874 1.690 1.00 . A A . 15 TYR HH 1 1 20 6641 1 1 15 TYR N N 0.538 -3.311 -0.449 1.00 . A A . 15 TYR N 1 1 20 6642 1 1 15 TYR O O 3.813 -2.684 -0.237 1.00 . A A . 15 TYR O 1 1 20 6643 1 1 15 TYR OH O -1.248 -9.498 0.838 1.00 . A A . 15 TYR OH 1 1 20 6644 1 1 16 TRP C C 4.388 0.192 1.418 1.00 . A A . 16 TRP C 1 1 20 6645 1 1 16 TRP CA C 3.778 -1.020 2.185 1.00 . A A . 16 TRP CA 1 1 20 6646 1 1 16 TRP CB C 4.827 -1.983 2.791 1.00 . A A . 16 TRP CB 1 1 20 6647 1 1 16 TRP CD1 C 7.174 -1.064 3.002 1.00 . A A . 16 TRP CD1 1 1 20 6648 1 1 16 TRP CD2 C 6.163 -1.224 4.992 1.00 . A A . 16 TRP CD2 1 1 20 6649 1 1 16 TRP CE2 C 7.441 -0.634 5.219 1.00 . A A . 16 TRP CE2 1 1 20 6650 1 1 16 TRP CE3 C 5.386 -1.499 6.134 1.00 . A A . 16 TRP CE3 1 1 20 6651 1 1 16 TRP CG C 5.994 -1.418 3.552 1.00 . A A . 16 TRP CG 1 1 20 6652 1 1 16 TRP CH2 C 7.041 -0.456 7.600 1.00 . A A . 16 TRP CH2 1 1 20 6653 1 1 16 TRP CZ2 C 7.867 -0.215 6.491 1.00 . A A . 16 TRP CZ2 1 1 20 6654 1 1 16 TRP CZ3 C 5.813 -1.119 7.421 1.00 . A A . 16 TRP CZ3 1 1 20 6655 1 1 16 TRP H H 1.827 -1.899 2.000 1.00 . A A . 16 TRP H 1 1 20 6656 1 1 16 TRP HA H 3.294 -0.562 3.043 1.00 . A A . 16 TRP HA 1 1 20 6657 1 1 16 TRP HB2 H 4.304 -2.654 3.474 1.00 . A A . 16 TRP HB2 1 1 20 6658 1 1 16 TRP HB3 H 5.243 -2.592 1.987 1.00 . A A . 16 TRP HB3 1 1 20 6659 1 1 16 TRP HD1 H 7.396 -1.122 1.945 1.00 . A A . 16 TRP HD1 1 1 20 6660 1 1 16 TRP HE1 H 9.007 -0.399 3.794 1.00 . A A . 16 TRP HE1 1 1 20 6661 1 1 16 TRP HE3 H 4.461 -2.036 6.003 1.00 . A A . 16 TRP HE3 1 1 20 6662 1 1 16 TRP HH2 H 7.373 -0.194 8.596 1.00 . A A . 16 TRP HH2 1 1 20 6663 1 1 16 TRP HZ2 H 8.843 0.221 6.626 1.00 . A A . 16 TRP HZ2 1 1 20 6664 1 1 16 TRP HZ3 H 5.208 -1.371 8.281 1.00 . A A . 16 TRP HZ3 1 1 20 6665 1 1 16 TRP N N 2.712 -1.822 1.520 1.00 . A A . 16 TRP N 1 1 20 6666 1 1 16 TRP NE1 N 8.047 -0.649 3.984 1.00 . A A . 16 TRP NE1 1 1 20 6667 1 1 16 TRP O O 5.443 0.115 0.801 1.00 . A A . 16 TRP O 1 1 20 6668 1 1 17 ASP C C 5.577 3.280 1.421 1.00 . A A . 17 ASP C 1 1 20 6669 1 1 17 ASP CA C 4.209 2.683 0.985 1.00 . A A . 17 ASP CA 1 1 20 6670 1 1 17 ASP CB C 3.112 3.732 1.290 1.00 . A A . 17 ASP CB 1 1 20 6671 1 1 17 ASP CG C 2.063 3.833 0.187 1.00 . A A . 17 ASP CG 1 1 20 6672 1 1 17 ASP H H 2.901 1.376 2.046 1.00 . A A . 17 ASP H 1 1 20 6673 1 1 17 ASP HA H 4.271 2.563 -0.097 1.00 . A A . 17 ASP HA 1 1 20 6674 1 1 17 ASP HB2 H 2.644 3.507 2.249 1.00 . A A . 17 ASP HB2 1 1 20 6675 1 1 17 ASP HB3 H 3.538 4.727 1.405 1.00 . A A . 17 ASP HB3 1 1 20 6676 1 1 17 ASP N N 3.786 1.380 1.568 1.00 . A A . 17 ASP N 1 1 20 6677 1 1 17 ASP O O 5.896 4.411 1.040 1.00 . A A . 17 ASP O 1 1 20 6678 1 1 17 ASP OD1 O 2.451 3.987 -0.991 1.00 . A A . 17 ASP OD1 1 1 20 6679 1 1 17 ASP OD2 O 0.869 3.709 0.528 1.00 . A A . 17 ASP OD2 1 1 20 6680 1 1 18 GLN C C 8.555 3.806 1.819 1.00 . A A . 18 GLN C 1 1 20 6681 1 1 18 GLN CA C 7.527 3.349 2.869 1.00 . A A . 18 GLN CA 1 1 20 6682 1 1 18 GLN CB C 8.208 2.522 3.972 1.00 . A A . 18 GLN CB 1 1 20 6683 1 1 18 GLN CD C 8.483 4.569 5.453 1.00 . A A . 18 GLN CD 1 1 20 6684 1 1 18 GLN CG C 9.153 3.331 4.875 1.00 . A A . 18 GLN CG 1 1 20 6685 1 1 18 GLN H H 6.203 1.654 2.449 1.00 . A A . 18 GLN H 1 1 20 6686 1 1 18 GLN HA H 7.100 4.243 3.321 1.00 . A A . 18 GLN HA 1 1 20 6687 1 1 18 GLN HB2 H 7.438 2.079 4.603 1.00 . A A . 18 GLN HB2 1 1 20 6688 1 1 18 GLN HB3 H 8.794 1.736 3.500 1.00 . A A . 18 GLN HB3 1 1 20 6689 1 1 18 GLN HE21 H 7.381 3.534 6.798 1.00 . A A . 18 GLN HE21 1 1 20 6690 1 1 18 GLN HE22 H 7.167 5.285 6.734 1.00 . A A . 18 GLN HE22 1 1 20 6691 1 1 18 GLN HG2 H 9.507 2.700 5.691 1.00 . A A . 18 GLN HG2 1 1 20 6692 1 1 18 GLN HG3 H 10.029 3.639 4.303 1.00 . A A . 18 GLN HG3 1 1 20 6693 1 1 18 GLN N N 6.384 2.634 2.277 1.00 . A A . 18 GLN N 1 1 20 6694 1 1 18 GLN NE2 N 7.628 4.443 6.438 1.00 . A A . 18 GLN NE2 1 1 20 6695 1 1 18 GLN O O 8.909 3.067 0.907 1.00 . A A . 18 GLN O 1 1 20 6696 1 1 18 GLN OE1 O 8.713 5.681 4.994 1.00 . A A . 18 GLN OE1 1 1 20 6697 1 1 19 HIS C C 11.554 4.895 1.184 1.00 . A A . 19 HIS C 1 1 20 6698 1 1 19 HIS CA C 10.175 5.611 1.164 1.00 . A A . 19 HIS CA 1 1 20 6699 1 1 19 HIS CB C 10.286 7.122 1.470 1.00 . A A . 19 HIS CB 1 1 20 6700 1 1 19 HIS CD2 C 12.344 7.946 2.750 1.00 . A A . 19 HIS CD2 1 1 20 6701 1 1 19 HIS CE1 C 11.663 7.668 4.837 1.00 . A A . 19 HIS CE1 1 1 20 6702 1 1 19 HIS CG C 11.058 7.482 2.723 1.00 . A A . 19 HIS CG 1 1 20 6703 1 1 19 HIS H H 8.720 5.537 2.767 1.00 . A A . 19 HIS H 1 1 20 6704 1 1 19 HIS HA H 9.822 5.520 0.133 1.00 . A A . 19 HIS HA 1 1 20 6705 1 1 19 HIS HB2 H 10.793 7.587 0.621 1.00 . A A . 19 HIS HB2 1 1 20 6706 1 1 19 HIS HB3 H 9.287 7.559 1.519 1.00 . A A . 19 HIS HB3 1 1 20 6707 1 1 19 HIS HD1 H 9.747 6.921 4.328 1.00 . A A . 19 HIS HD1 1 1 20 6708 1 1 19 HIS HD2 H 12.965 8.107 1.874 1.00 . A A . 19 HIS HD2 1 1 20 6709 1 1 19 HIS HE1 H 11.650 7.585 5.920 1.00 . A A . 19 HIS HE1 1 1 20 6710 1 1 19 HIS HE2 H 13.635 8.320 4.406 1.00 . A A . 19 HIS HE2 1 1 20 6711 1 1 19 HIS N N 9.127 5.003 2.013 1.00 . A A . 19 HIS N 1 1 20 6712 1 1 19 HIS ND1 N 10.639 7.325 4.029 1.00 . A A . 19 HIS ND1 1 1 20 6713 1 1 19 HIS NE2 N 12.710 8.057 4.079 1.00 . A A . 19 HIS NE2 1 1 20 6714 1 1 19 HIS O O 12.590 5.540 1.034 1.00 . A A . 19 HIS O 1 1 20 6715 1 1 20 ALA C C 12.457 1.424 0.655 1.00 . A A . 20 ALA C 1 1 20 6716 1 1 20 ALA CA C 12.746 2.704 1.470 1.00 . A A . 20 ALA CA 1 1 20 6717 1 1 20 ALA CB C 13.011 2.375 2.947 1.00 . A A . 20 ALA CB 1 1 20 6718 1 1 20 ALA H H 10.690 3.104 1.328 1.00 . A A . 20 ALA H 1 1 20 6719 1 1 20 ALA HA H 13.613 3.216 1.046 1.00 . A A . 20 ALA HA 1 1 20 6720 1 1 20 ALA HB1 H 12.132 1.896 3.385 1.00 . A A . 20 ALA HB1 1 1 20 6721 1 1 20 ALA HB2 H 13.851 1.685 3.034 1.00 . A A . 20 ALA HB2 1 1 20 6722 1 1 20 ALA HB3 H 13.239 3.286 3.499 1.00 . A A . 20 ALA HB3 1 1 20 6723 1 1 20 ALA N N 11.582 3.584 1.413 1.00 . A A . 20 ALA N 1 1 20 6724 1 1 20 ALA O O 11.296 1.030 0.566 1.00 . A A . 20 ALA O 1 1 20 6725 1 1 21 PRO C C 12.730 -1.641 -0.093 1.00 . A A . 21 PRO C 1 1 20 6726 1 1 21 PRO CA C 13.238 -0.388 -0.820 1.00 . A A . 21 PRO CA 1 1 20 6727 1 1 21 PRO CB C 14.588 -0.645 -1.497 1.00 . A A . 21 PRO CB 1 1 20 6728 1 1 21 PRO CD C 14.891 1.054 0.160 1.00 . A A . 21 PRO CD 1 1 20 6729 1 1 21 PRO CG C 15.598 -0.151 -0.462 1.00 . A A . 21 PRO CG 1 1 20 6730 1 1 21 PRO HA H 12.500 -0.121 -1.579 1.00 . A A . 21 PRO HA 1 1 20 6731 1 1 21 PRO HB2 H 14.738 -1.698 -1.741 1.00 . A A . 21 PRO HB2 1 1 20 6732 1 1 21 PRO HB3 H 14.662 -0.034 -2.397 1.00 . A A . 21 PRO HB3 1 1 20 6733 1 1 21 PRO HD2 H 15.213 1.184 1.193 1.00 . A A . 21 PRO HD2 1 1 20 6734 1 1 21 PRO HD3 H 15.110 1.950 -0.422 1.00 . A A . 21 PRO HD3 1 1 20 6735 1 1 21 PRO HG2 H 15.750 -0.921 0.296 1.00 . A A . 21 PRO HG2 1 1 20 6736 1 1 21 PRO HG3 H 16.547 0.126 -0.921 1.00 . A A . 21 PRO HG3 1 1 20 6737 1 1 21 PRO N N 13.470 0.753 0.073 1.00 . A A . 21 PRO N 1 1 20 6738 1 1 21 PRO O O 12.047 -2.462 -0.697 1.00 . A A . 21 PRO O 1 1 20 6739 1 1 22 LEU C C 12.557 -2.243 3.556 1.00 . A A . 22 LEU C 1 1 20 6740 1 1 22 LEU CA C 12.539 -2.784 2.120 1.00 . A A . 22 LEU CA 1 1 20 6741 1 1 22 LEU CB C 13.298 -4.116 1.934 1.00 . A A . 22 LEU CB 1 1 20 6742 1 1 22 LEU CD1 C 15.116 -4.478 3.693 1.00 . A A . 22 LEU CD1 1 1 20 6743 1 1 22 LEU CD2 C 15.574 -5.018 1.332 1.00 . A A . 22 LEU CD2 1 1 20 6744 1 1 22 LEU CG C 14.808 -4.072 2.255 1.00 . A A . 22 LEU CG 1 1 20 6745 1 1 22 LEU H H 13.575 -1.034 1.635 1.00 . A A . 22 LEU H 1 1 20 6746 1 1 22 LEU HA H 11.497 -2.953 1.869 1.00 . A A . 22 LEU HA 1 1 20 6747 1 1 22 LEU HB2 H 12.826 -4.897 2.534 1.00 . A A . 22 LEU HB2 1 1 20 6748 1 1 22 LEU HB3 H 13.170 -4.417 0.893 1.00 . A A . 22 LEU HB3 1 1 20 6749 1 1 22 LEU HD11 H 14.731 -5.483 3.882 1.00 . A A . 22 LEU HD11 1 1 20 6750 1 1 22 LEU HD12 H 14.645 -3.797 4.395 1.00 . A A . 22 LEU HD12 1 1 20 6751 1 1 22 LEU HD13 H 16.191 -4.472 3.862 1.00 . A A . 22 LEU HD13 1 1 20 6752 1 1 22 LEU HD21 H 16.637 -4.987 1.566 1.00 . A A . 22 LEU HD21 1 1 20 6753 1 1 22 LEU HD22 H 15.424 -4.715 0.297 1.00 . A A . 22 LEU HD22 1 1 20 6754 1 1 22 LEU HD23 H 15.206 -6.037 1.468 1.00 . A A . 22 LEU HD23 1 1 20 6755 1 1 22 LEU HG H 15.200 -3.069 2.088 1.00 . A A . 22 LEU HG 1 1 20 6756 1 1 22 LEU N N 13.055 -1.777 1.196 1.00 . A A . 22 LEU N 1 1 20 6757 1 1 22 LEU O O 13.052 -1.136 3.797 1.00 . A A . 22 LEU O 1 1 20 6758 1 1 23 ALA C C 11.883 -3.921 6.840 1.00 . A A . 23 ALA C 1 1 20 6759 1 1 23 ALA CA C 11.920 -2.682 5.919 1.00 . A A . 23 ALA CA 1 1 20 6760 1 1 23 ALA CB C 10.676 -1.817 6.145 1.00 . A A . 23 ALA CB 1 1 20 6761 1 1 23 ALA H H 11.629 -3.908 4.209 1.00 . A A . 23 ALA H 1 1 20 6762 1 1 23 ALA HA H 12.806 -2.110 6.198 1.00 . A A . 23 ALA HA 1 1 20 6763 1 1 23 ALA HB1 H 10.741 -0.910 5.545 1.00 . A A . 23 ALA HB1 1 1 20 6764 1 1 23 ALA HB2 H 9.785 -2.385 5.867 1.00 . A A . 23 ALA HB2 1 1 20 6765 1 1 23 ALA HB3 H 10.606 -1.549 7.200 1.00 . A A . 23 ALA HB3 1 1 20 6766 1 1 23 ALA N N 11.984 -3.003 4.489 1.00 . A A . 23 ALA N 1 1 20 6767 1 1 23 ALA O O 11.859 -3.762 8.059 1.00 . A A . 23 ALA O 1 1 20 6768 1 1 24 ASP C C 12.684 -7.315 5.817 1.00 . A A . 24 ASP C 1 1 20 6769 1 1 24 ASP CA C 11.797 -6.474 6.760 1.00 . A A . 24 ASP CA 1 1 20 6770 1 1 24 ASP CB C 10.310 -6.922 6.768 1.00 . A A . 24 ASP CB 1 1 20 6771 1 1 24 ASP CG C 9.936 -8.105 7.687 1.00 . A A . 24 ASP CG 1 1 20 6772 1 1 24 ASP H H 12.064 -5.196 5.246 1.00 . A A . 24 ASP H 1 1 20 6773 1 1 24 ASP HA H 12.201 -6.527 7.771 1.00 . A A . 24 ASP HA 1 1 20 6774 1 1 24 ASP HB2 H 9.700 -6.075 7.090 1.00 . A A . 24 ASP HB2 1 1 20 6775 1 1 24 ASP HB3 H 10.012 -7.153 5.743 1.00 . A A . 24 ASP HB3 1 1 20 6776 1 1 24 ASP N N 11.864 -5.108 6.234 1.00 . A A . 24 ASP N 1 1 20 6777 1 1 24 ASP O O 13.489 -8.132 6.311 1.00 . A A . 24 ASP O 1 1 20 6778 1 1 24 ASP OXT O 12.666 -6.976 4.602 1.00 . A A . 24 ASP OXT 1 1 20 6779 1 1 24 ASP OD1 O 10.267 -8.054 8.897 1.00 . A A . 24 ASP OD1 1 1 20 6780 1 1 24 ASP OD2 O 9.182 -8.988 7.209 1.00 . A A . 24 ASP OD2 1 1 stop_ save_
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