NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | in_dress | stage | program | type | subtype | item_count |
376874 | 1fwo | 4645 | cing | recoord | dress | 4-filtered-FRED | STAR | entry | full | 195 |
data_FRED_restraints_with_modified_coordinates_PDB_code_1fwo # This FRED archive file contains, for PDB entry <1fwo>: # # - Coordinates and sequence information from the PDB mmCIF file # - NMR restraints from the PDB MR file # # In this file, the coordinates and NMR restraints share the same atom names, # and in this way can differ from the data deposited at the wwPDB. To achieve # this aim, the NMR restraints were parsed from their original format files, and # the coordinates and NMR restraints information were subsequently harmonized. # # Due to the complexity of this harmonization process and the filtering process # used in creating these files, the NMR restraints information in these files # may differ significantly from that in the originally deposited file. Other # modifications could have occurred to the NMR restraints information, or data # could have been lost because of parsing or conversion errors. The PDB file # remains the authoritative reference for the atomic coordinates and the # originally deposited restraints files remain the primary reference for these # data. # # This file is generated at the BioMagResBank (BMRB) in collaboration with the # PDBe (formerly MSD) group at the European Bioinformatics Institute (EBI) and # the CMBI/IMM group at the Radboud University of Nijmegen. # # Several software packages were used to produce this file: # # - Wattos (BMRB and CMBI/IMM). # - FormatConverter and NMRStarExport (PDBe). # - CCPN framework (http://www.ccpn.ac.uk/). # # More information about this process can be found in the references below. # Please cite the original reference for this PDB entry. # # JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL # Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED # containing converted and filtered sets of experimental NMR restraints and # coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12. # # WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL # Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy: # development of a software pipeline. Proteins 59, 687-696. # # JF Doreleijers, W Vranken, C Penkett, J Lin, CF Schulte, G Vuister, G Vriend, # JL Markley, EL Ulrich. BioMagResBank database `NMR Restraints Grid` with # curated sets of experimental NMR restraints for over 4,000 protein and nucleic # acid PDB entries. (in preparation) save_Conversion_project_for_entry_Name_1 _Study_list.Sf_category study_list _Study_list.Entry_ID 1 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 "Conversion project for entry 1" NMR . 1 1 stop_ save_ save_originalConstraints_1 _Entry.Sf_category entry_information _Entry.ID 1 _Entry.Title "Data for entry 1" _Entry.NMR_STAR_version 3.1.0.8 _Entry.Experimental_method NMR _Entry.Details . save_ save_assembly_1fwo _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 1fwo _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "all disulfide bound" _Assembly.Molecular_mass 3701.99 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 $ORYZAIN_BETA_CHAIN A . 1 1 stop_ save_ save_ORYZAIN_BETA_CHAIN _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name "ORYZAIN BETA CHAIN" _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code DHVCDDNFSCPAGSTCSSAFGFRNLSLVWGCSPVE _Entity.Number_of_monomers 35 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 ASP . 1 1 2 HIS . 1 1 3 VAL . 1 1 4 CYS . 1 1 5 ASP . 1 1 6 ASP . 1 1 7 ASN . 1 1 8 PHE . 1 1 9 SER . 1 1 10 CYS . 1 1 11 PRO . 1 1 12 ALA . 1 1 13 GLY . 1 1 14 SER . 1 1 15 THR . 1 1 16 CYS . 1 1 17 SER . 1 1 18 SER . 1 1 19 ALA . 1 1 20 PHE . 1 1 21 GLY . 1 1 22 PHE . 1 1 23 ARG . 1 1 24 ASN . 1 1 25 LEU . 1 1 26 SER . 1 1 27 LEU . 1 1 28 VAL . 1 1 29 TRP . 1 1 30 GLY . 1 1 31 CYS . 1 1 32 SER . 1 1 33 PRO . 1 1 34 VAL . 1 1 35 GLU . 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 ASP 1 1 1 1 HIS 2 2 1 1 VAL 3 3 1 1 CYS 4 4 1 1 ASP 5 5 1 1 ASP 6 6 1 1 ASN 7 7 1 1 PHE 8 8 1 1 SER 9 9 1 1 CYS 10 10 1 1 PRO 11 11 1 1 ALA 12 12 1 1 GLY 13 13 1 1 SER 14 14 1 1 THR 15 15 1 1 CYS 16 16 1 1 SER 17 17 1 1 SER 18 18 1 1 ALA 19 19 1 1 PHE 20 20 1 1 GLY 21 21 1 1 PHE 22 22 1 1 ARG 23 23 1 1 ASN 24 24 1 1 LEU 25 25 1 1 SER 26 26 1 1 LEU 27 27 1 1 VAL 28 28 1 1 TRP 29 29 1 1 GLY 30 30 1 1 CYS 31 31 1 1 SER 32 32 1 1 PRO 33 33 1 1 VAL 34 34 1 1 GLU 35 35 1 1 stop_ save_ save_CNS/XPLOR_distance_constraints_3_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID . _Distance_constraint_list.Block_ID . loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . 1 1 2 1 . . . 1 1 3 1 . . . 1 1 4 1 . . . 1 1 5 1 . . . 1 1 6 1 . . . 1 1 7 1 . . . 1 1 8 1 . . . 1 1 9 1 . . . 1 1 10 1 . . . 1 1 11 1 . . . 1 1 12 1 . . . 1 1 13 1 . . . 1 1 14 1 . . . 1 1 15 1 . . . 1 1 16 1 . . . 1 1 17 1 . . . 1 1 18 1 . . . 1 1 19 1 . . . 1 1 20 1 . . . 1 1 21 1 . . . 1 1 22 1 . . . 1 1 23 1 . . . 1 1 24 1 . . . 1 1 25 1 . . . 1 1 26 1 . . . 1 1 27 1 . . . 1 1 28 1 . . . 1 1 29 1 . . . 1 1 30 1 . . . 1 1 31 1 . . . 1 1 32 1 . . . 1 1 33 1 . . . 1 1 34 1 . . . 1 1 35 1 . . . 1 1 36 1 . . . 1 1 37 1 . . . 1 1 38 1 . . . 1 1 39 1 . . . 1 1 40 1 . . . 1 1 41 1 . . . 1 1 42 1 . . . 1 1 43 1 . . . 1 1 44 1 . . . 1 1 45 1 . . . 1 1 46 1 . . . 1 1 47 1 . . . 1 1 48 1 . . . 1 1 49 1 . . . 1 1 50 1 . . . 1 1 51 1 . . . 1 1 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 1 162 1 . . . 1 1 163 1 . . . 1 1 164 1 . . . 1 1 165 1 . . . 1 1 166 1 . . . 1 1 167 1 . . . 1 1 168 1 . . . 1 1 169 1 . . . 1 1 170 1 . . . 1 1 171 1 . . . 1 1 172 1 . . . 1 1 173 1 . . . 1 1 174 1 . . . 1 1 175 1 . . . 1 1 176 1 . . . 1 1 177 1 . . . 1 1 178 1 . . . 1 1 179 1 . . . 1 1 180 1 . . . 1 1 181 1 . . . 1 1 182 1 . . . 1 1 183 1 . . . 1 1 184 1 . . . 1 1 185 1 . . . 1 1 186 1 . . . 1 1 187 1 . . . 1 1 188 1 . . . 1 1 189 1 . . . 1 1 190 1 . . . 1 1 191 1 . . . 1 1 192 1 . . . 1 1 193 1 . . . 1 1 194 1 . . . 1 1 195 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 ASP HA . 1 . HA 1 1 1 1 2 1 1 11 PRO HA . 11 . HA 1 1 2 1 1 1 1 1 ASP QB . 1 . HB# 1 1 2 1 2 1 1 3 VAL QG . 3 . HG# 1 1 3 1 1 1 1 1 ASP QB . 1 . HB# 1 1 3 1 2 1 1 9 SER QB . 9 . HB# 1 1 4 1 1 1 1 2 HIS H . 2 . HN 1 1 4 1 2 1 1 9 SER QB . 9 . HB# 1 1 5 1 1 1 1 2 HIS H . 2 . HN 1 1 5 1 2 1 1 10 CYS H . 10 . HN 1 1 6 1 1 1 1 2 HIS H . 2 . HN 1 1 6 1 2 1 1 10 CYS QB . 10 . HB# 1 1 7 1 1 1 1 2 HIS H . 2 . HN 1 1 7 1 2 1 1 11 PRO HA . 11 . HA 1 1 8 1 1 1 1 2 HIS H . 2 . HN 1 1 8 1 2 1 1 11 PRO QB . 11 . HB# 1 1 9 1 1 1 1 2 HIS HA . 2 . HA 1 1 9 1 2 1 1 3 VAL QG . 3 . HG# 1 1 10 1 1 1 1 2 HIS HD2 . 2 . HD2 1 1 10 1 2 1 1 12 ALA HA . 12 . HA 1 1 11 1 1 1 1 2 HIS HD2 . 2 . HD2 1 1 11 1 2 1 1 12 ALA MB . 12 . HB# 1 1 12 1 1 1 1 3 VAL HA . 3 . HA 1 1 12 1 2 1 1 9 SER HA . 9 . HA 1 1 13 1 1 1 1 3 VAL HA . 3 . HA 1 1 13 1 2 1 1 9 SER QB . 9 . HB# 1 1 14 1 1 1 1 3 VAL QG . 3 . HG# 1 1 14 1 2 1 1 4 CYS HA . 4 . HA 1 1 15 1 1 1 1 3 VAL QG . 3 . HG# 1 1 15 1 2 1 1 5 ASP HA . 5 . HA 1 1 16 1 1 1 1 3 VAL QG . 3 . HG# 1 1 16 1 2 1 1 5 ASP QB . 5 . HB# 1 1 17 1 1 1 1 3 VAL QG . 3 . HG# 1 1 17 1 2 1 1 6 ASP H . 6 . HN 1 1 18 1 1 1 1 3 VAL QG . 3 . HG# 1 1 18 1 2 1 1 6 ASP HA . 6 . HA 1 1 19 1 1 1 1 3 VAL QG . 3 . HG# 1 1 19 1 2 1 1 8 PHE H . 8 . HN 1 1 20 1 1 1 1 3 VAL QG . 3 . HG# 1 1 20 1 2 1 1 9 SER QB . 9 . HB# 1 1 21 1 1 1 1 3 VAL QG . 3 . HG# 1 1 21 1 2 1 1 10 CYS H . 10 . HN 1 1 22 1 1 1 1 4 CYS H . 4 . HN 1 1 22 1 2 1 1 8 PHE H . 8 . HN 1 1 23 1 1 1 1 4 CYS H . 4 . HN 1 1 23 1 2 1 1 9 SER HA . 9 . HA 1 1 24 1 1 1 1 4 CYS H . 4 . HN 1 1 24 1 2 1 1 9 SER QB . 9 . HB# 1 1 25 1 1 1 1 4 CYS HA . 4 . HA 1 1 25 1 2 1 1 8 PHE QB . 8 . HB# 1 1 26 1 1 1 1 4 CYS HA . 4 . HA 1 1 26 1 2 1 1 29 TRP HH2 . 29 . HH2 1 1 27 1 1 1 1 4 CYS HA . 4 . HA 1 1 27 1 2 1 1 29 TRP HZ3 . 29 . HZ3 1 1 28 1 1 1 1 4 CYS QB . 4 . HB# 1 1 28 1 2 1 1 8 PHE QB . 8 . HB# 1 1 29 1 1 1 1 4 CYS QB . 4 . HB# 1 1 29 1 2 1 1 8 PHE QD . 8 . HD# 1 1 30 1 1 1 1 4 CYS QB . 4 . HB# 1 1 30 1 2 1 1 8 PHE QE . 8 . HE# 1 1 31 1 1 1 1 4 CYS QB . 4 . HB# 1 1 31 1 2 1 1 29 TRP HE3 . 29 . HE3 1 1 32 1 1 1 1 4 CYS QB . 4 . HB# 1 1 32 1 2 1 1 29 TRP HZ3 . 29 . HZ3 1 1 33 1 1 1 1 5 ASP HA . 5 . HA 1 1 33 1 2 1 1 29 TRP HZ2 . 29 . HZ2 1 1 34 1 1 1 1 5 ASP QB . 5 . HB# 1 1 34 1 2 1 1 29 TRP HE1 . 29 . HE1 1 1 35 1 1 1 1 5 ASP QB . 5 . HB# 1 1 35 1 2 1 1 29 TRP HZ2 . 29 . HZ2 1 1 36 1 1 1 1 6 ASP H . 6 . HN 1 1 36 1 2 1 1 8 PHE H . 8 . HN 1 1 37 1 1 1 1 6 ASP HA . 6 . HA 1 1 37 1 2 1 1 7 ASN HA . 7 . HA 1 1 38 1 1 1 1 6 ASP HA . 6 . HA 1 1 38 1 2 1 1 8 PHE H . 8 . HN 1 1 39 1 1 1 1 6 ASP QB . 6 . HB# 1 1 39 1 2 1 1 8 PHE H . 8 . HN 1 1 40 1 1 1 1 7 ASN QD . 7 . HD2# 1 1 40 1 2 1 1 8 PHE H . 8 . HN 1 1 41 1 1 1 1 7 ASN QD . 7 . HD2# 1 1 41 1 2 1 1 29 TRP H . 29 . HN 1 1 42 1 1 1 1 8 PHE QD . 8 . HD# 1 1 42 1 2 1 1 9 SER H . 9 . HN 1 1 43 1 1 1 1 8 PHE QE . 8 . HE# 1 1 43 1 2 1 1 30 GLY QA . 30 . HA# 1 1 44 1 1 1 1 8 PHE QE . 8 . HE# 1 1 44 1 2 1 1 31 CYS H . 31 . HN 1 1 45 1 1 1 1 8 PHE QE . 8 . HE# 1 1 45 1 2 1 1 31 CYS QB . 31 . HB# 1 1 46 1 1 1 1 9 SER HA . 9 . HA 1 1 46 1 2 1 1 10 CYS QB . 10 . HB# 1 1 47 1 1 1 1 9 SER QB . 9 . HB# 1 1 47 1 2 1 1 10 CYS H . 10 . HN 1 1 48 1 1 1 1 10 CYS HA . 10 . HA 1 1 48 1 2 1 1 11 PRO QB . 11 . HB# 1 1 49 1 1 1 1 10 CYS HA . 10 . HA 1 1 49 1 2 1 1 11 PRO QG . 11 . HG# 1 1 50 1 1 1 1 10 CYS HA . 10 . HA 1 1 50 1 2 1 1 31 CYS QB . 31 . HB# 1 1 51 1 1 1 1 10 CYS QB . 10 . HB# 1 1 51 1 2 1 1 11 PRO QG . 11 . HG# 1 1 52 1 1 1 1 10 CYS QB . 10 . HB# 1 1 52 1 2 1 1 14 SER QB . 14 . HB# 1 1 53 1 1 1 1 10 CYS QB . 10 . HB# 1 1 53 1 2 1 1 15 THR H . 15 . HN 1 1 54 1 1 1 1 10 CYS QB . 10 . HB# 1 1 54 1 2 1 1 15 THR HA . 15 . HA 1 1 55 1 1 1 1 10 CYS QB . 10 . HB# 1 1 55 1 2 1 1 31 CYS QB . 31 . HB# 1 1 56 1 1 1 1 11 PRO HA . 11 . HA 1 1 56 1 2 1 1 12 ALA MB . 12 . HB# 1 1 57 1 1 1 1 11 PRO QB . 11 . HB# 1 1 57 1 2 1 1 12 ALA MB . 12 . HB# 1 1 58 1 1 1 1 11 PRO QB . 11 . HB# 1 1 58 1 2 1 1 13 GLY H . 13 . HN 1 1 59 1 1 1 1 11 PRO QD . 11 . HD# 1 1 59 1 2 1 1 12 ALA H . 12 . HN 1 1 60 1 1 1 1 11 PRO QD . 11 . HD# 1 1 60 1 2 1 1 13 GLY H . 13 . HN 1 1 61 1 1 1 1 11 PRO QG . 11 . HG# 1 1 61 1 2 1 1 12 ALA H . 12 . HN 1 1 62 1 1 1 1 11 PRO QG . 11 . HG# 1 1 62 1 2 1 1 12 ALA MB . 12 . HB# 1 1 63 1 1 1 1 11 PRO QG . 11 . HG# 1 1 63 1 2 1 1 13 GLY H . 13 . HN 1 1 64 1 1 1 1 12 ALA H . 12 . HN 1 1 64 1 2 1 1 14 SER H . 14 . HN 1 1 65 1 1 1 1 12 ALA MB . 12 . HB# 1 1 65 1 2 1 1 13 GLY H . 13 . HN 1 1 66 1 1 1 1 12 ALA MB . 12 . HB# 1 1 66 1 2 1 1 13 GLY QA . 13 . HA# 1 1 67 1 1 1 1 12 ALA MB . 12 . HB# 1 1 67 1 2 1 1 14 SER H . 14 . HN 1 1 68 1 1 1 1 12 ALA MB . 12 . HB# 1 1 68 1 2 1 1 34 VAL QG . 34 . HG# 1 1 69 1 1 1 1 13 GLY H . 13 . HN 1 1 69 1 2 1 1 14 SER H . 14 . HN 1 1 70 1 1 1 1 13 GLY H . 13 . HN 1 1 70 1 2 1 1 34 VAL QG . 34 . HG# 1 1 71 1 1 1 1 13 GLY QA . 13 . HA# 1 1 71 1 2 1 1 34 VAL HB . 34 . HB 1 1 72 1 1 1 1 13 GLY QA . 13 . HA# 1 1 72 1 2 1 1 34 VAL QG . 34 . HG# 1 1 73 1 1 1 1 14 SER HA . 14 . HA 1 1 73 1 2 1 1 15 THR H . 15 . HN 1 1 74 1 1 1 1 14 SER HA . 14 . HA 1 1 74 1 2 1 1 15 THR MG . 15 . HG2# 1 1 75 1 1 1 1 14 SER HA . 14 . HA 1 1 75 1 2 1 1 33 PRO HA . 33 . HA 1 1 76 1 1 1 1 14 SER HA . 14 . HA 1 1 76 1 2 1 1 34 VAL HA . 34 . HA 1 1 77 1 1 1 1 14 SER HA . 14 . HA 1 1 77 1 2 1 1 34 VAL QG . 34 . HG# 1 1 78 1 1 1 1 14 SER QB . 14 . HB# 1 1 78 1 2 1 1 15 THR MG . 15 . HG2# 1 1 79 1 1 1 1 14 SER QB . 14 . HB# 1 1 79 1 2 1 1 31 CYS HA . 31 . HA 1 1 80 1 1 1 1 14 SER QB . 14 . HB# 1 1 80 1 2 1 1 31 CYS QB . 31 . HB# 1 1 81 1 1 1 1 14 SER QB . 14 . HB# 1 1 81 1 2 1 1 32 SER H . 32 . HN 1 1 82 1 1 1 1 14 SER QB . 14 . HB# 1 1 82 1 2 1 1 33 PRO HA . 33 . HA 1 1 83 1 1 1 1 14 SER QB . 14 . HB# 1 1 83 1 2 1 1 34 VAL QG . 34 . HG# 1 1 84 1 1 1 1 15 THR H . 15 . HN 1 1 84 1 2 1 1 31 CYS QB . 31 . HB# 1 1 85 1 1 1 1 15 THR H . 15 . HN 1 1 85 1 2 1 1 32 SER H . 32 . HN 1 1 86 1 1 1 1 15 THR H . 15 . HN 1 1 86 1 2 1 1 32 SER HA . 32 . HA 1 1 87 1 1 1 1 15 THR H . 15 . HN 1 1 87 1 2 1 1 32 SER QB . 32 . HB# 1 1 88 1 1 1 1 15 THR H . 15 . HN 1 1 88 1 2 1 1 33 PRO HA . 33 . HA 1 1 89 1 1 1 1 15 THR H . 15 . HN 1 1 89 1 2 1 1 34 VAL QG . 34 . HG# 1 1 90 1 1 1 1 15 THR HA . 15 . HA 1 1 90 1 2 1 1 16 CYS QB . 16 . HB# 1 1 91 1 1 1 1 15 THR HA . 15 . HA 1 1 91 1 2 1 1 32 SER H . 32 . HN 1 1 92 1 1 1 1 15 THR HB . 15 . HB 1 1 92 1 2 1 1 32 SER H . 32 . HN 1 1 93 1 1 1 1 15 THR MG . 15 . HG2# 1 1 93 1 2 1 1 16 CYS H . 16 . HN 1 1 94 1 1 1 1 15 THR MG . 15 . HG2# 1 1 94 1 2 1 1 16 CYS HA . 16 . HA 1 1 95 1 1 1 1 15 THR MG . 15 . HG2# 1 1 95 1 2 1 1 16 CYS QB . 16 . HB# 1 1 96 1 1 1 1 15 THR MG . 15 . HG2# 1 1 96 1 2 1 1 32 SER H . 32 . HN 1 1 97 1 1 1 1 15 THR MG . 15 . HG2# 1 1 97 1 2 1 1 32 SER QB . 32 . HB# 1 1 98 1 1 1 1 15 THR MG . 15 . HG2# 1 1 98 1 2 1 1 34 VAL QG . 34 . HG# 1 1 99 1 1 1 1 16 CYS HA . 16 . HA 1 1 99 1 2 1 1 17 SER H . 17 . HN 1 1 100 1 1 1 1 16 CYS HA . 16 . HA 1 1 100 1 2 1 1 29 TRP HE3 . 29 . HE3 1 1 101 1 1 1 1 16 CYS HA . 16 . HA 1 1 101 1 2 1 1 31 CYS HA . 31 . HA 1 1 102 1 1 1 1 16 CYS QB . 16 . HB# 1 1 102 1 2 1 1 29 TRP HE3 . 29 . HE3 1 1 103 1 1 1 1 16 CYS QB . 16 . HB# 1 1 103 1 2 1 1 29 TRP HH2 . 29 . HH2 1 1 104 1 1 1 1 16 CYS QB . 16 . HB# 1 1 104 1 2 1 1 29 TRP HZ3 . 29 . HZ3 1 1 105 1 1 1 1 17 SER H . 17 . HN 1 1 105 1 2 1 1 29 TRP HE3 . 29 . HE3 1 1 106 1 1 1 1 17 SER H . 17 . HN 1 1 106 1 2 1 1 29 TRP HZ3 . 29 . HZ3 1 1 107 1 1 1 1 17 SER H . 17 . HN 1 1 107 1 2 1 1 30 GLY H . 30 . HN 1 1 108 1 1 1 1 17 SER QB . 17 . HB# 1 1 108 1 2 1 1 19 ALA H . 19 . HN 1 1 109 1 1 1 1 17 SER QB . 17 . HB# 1 1 109 1 2 1 1 29 TRP HE3 . 29 . HE3 1 1 110 1 1 1 1 18 SER H . 18 . HN 1 1 110 1 2 1 1 19 ALA MB . 19 . HB# 1 1 111 1 1 1 1 18 SER H . 18 . HN 1 1 111 1 2 1 1 29 TRP HE3 . 29 . HE3 1 1 112 1 1 1 1 18 SER H . 18 . HN 1 1 112 1 2 1 1 29 TRP HZ3 . 29 . HZ3 1 1 113 1 1 1 1 18 SER HA . 18 . HA 1 1 113 1 2 1 1 19 ALA MB . 19 . HB# 1 1 114 1 1 1 1 18 SER HA . 18 . HA 1 1 114 1 2 1 1 29 TRP QB . 29 . HB# 1 1 115 1 1 1 1 18 SER HA . 18 . HA 1 1 115 1 2 1 1 29 TRP HE3 . 29 . HE3 1 1 116 1 1 1 1 18 SER HA . 18 . HA 1 1 116 1 2 1 1 29 TRP HZ3 . 29 . HZ3 1 1 117 1 1 1 1 18 SER HA . 18 . HA 1 1 117 1 2 1 1 30 GLY H . 30 . HN 1 1 118 1 1 1 1 19 ALA H . 19 . HN 1 1 118 1 2 1 1 27 LEU QD . 27 . HD# 1 1 119 1 1 1 1 19 ALA H . 19 . HN 1 1 119 1 2 1 1 28 VAL QG . 28 . HG# 1 1 120 1 1 1 1 19 ALA HA . 19 . HA 1 1 120 1 2 1 1 20 PHE QB . 20 . HB# 1 1 121 1 1 1 1 19 ALA HA . 19 . HA 1 1 121 1 2 1 1 27 LEU QD . 27 . HD# 1 1 122 1 1 1 1 19 ALA HA . 19 . HA 1 1 122 1 2 1 1 29 TRP HD1 . 29 . HD1 1 1 123 1 1 1 1 19 ALA MB . 19 . HB# 1 1 123 1 2 1 1 20 PHE H . 20 . HN 1 1 124 1 1 1 1 19 ALA MB . 19 . HB# 1 1 124 1 2 1 1 20 PHE HA . 20 . HA 1 1 125 1 1 1 1 19 ALA MB . 19 . HB# 1 1 125 1 2 1 1 20 PHE QB . 20 . HB# 1 1 126 1 1 1 1 19 ALA MB . 19 . HB# 1 1 126 1 2 1 1 20 PHE QD . 20 . HD# 1 1 127 1 1 1 1 19 ALA MB . 19 . HB# 1 1 127 1 2 1 1 20 PHE QE . 20 . HE# 1 1 128 1 1 1 1 19 ALA MB . 19 . HB# 1 1 128 1 2 1 1 27 LEU HA . 27 . HA 1 1 129 1 1 1 1 19 ALA MB . 19 . HB# 1 1 129 1 2 1 1 27 LEU QD . 27 . HD# 1 1 130 1 1 1 1 19 ALA MB . 19 . HB# 1 1 130 1 2 1 1 28 VAL HB . 28 . HB 1 1 131 1 1 1 1 19 ALA MB . 19 . HB# 1 1 131 1 2 1 1 28 VAL QG . 28 . HG# 1 1 132 1 1 1 1 20 PHE HA . 20 . HA 1 1 132 1 2 1 1 27 LEU HA . 27 . HA 1 1 133 1 1 1 1 20 PHE HA . 20 . HA 1 1 133 1 2 1 1 27 LEU QD . 27 . HD# 1 1 134 1 1 1 1 20 PHE QB . 20 . HB# 1 1 134 1 2 1 1 24 ASN H . 24 . HN 1 1 135 1 1 1 1 20 PHE QB . 20 . HB# 1 1 135 1 2 1 1 24 ASN HA . 24 . HA 1 1 136 1 1 1 1 20 PHE QB . 20 . HB# 1 1 136 1 2 1 1 25 LEU H . 25 . HN 1 1 137 1 1 1 1 20 PHE QB . 20 . HB# 1 1 137 1 2 1 1 27 LEU HA . 27 . HA 1 1 138 1 1 1 1 20 PHE QB . 20 . HB# 1 1 138 1 2 1 1 27 LEU QD . 27 . HD# 1 1 139 1 1 1 1 20 PHE QB . 20 . HB# 1 1 139 1 2 1 1 28 VAL HB . 28 . HB 1 1 140 1 1 1 1 20 PHE QB . 20 . HB# 1 1 140 1 2 1 1 28 VAL QG . 28 . HG# 1 1 141 1 1 1 1 20 PHE QD . 20 . HD# 1 1 141 1 2 1 1 21 GLY H . 21 . HN 1 1 142 1 1 1 1 20 PHE QD . 20 . HD# 1 1 142 1 2 1 1 24 ASN HA . 24 . HA 1 1 143 1 1 1 1 20 PHE QD . 20 . HD# 1 1 143 1 2 1 1 24 ASN QB . 24 . HB# 1 1 144 1 1 1 1 20 PHE QD . 20 . HD# 1 1 144 1 2 1 1 25 LEU QD . 25 . HD# 1 1 145 1 1 1 1 20 PHE QD . 20 . HD# 1 1 145 1 2 1 1 26 SER H . 26 . HN 1 1 146 1 1 1 1 20 PHE QD . 20 . HD# 1 1 146 1 2 1 1 27 LEU HA . 27 . HA 1 1 147 1 1 1 1 20 PHE QD . 20 . HD# 1 1 147 1 2 1 1 27 LEU QD . 27 . HD# 1 1 148 1 1 1 1 20 PHE QD . 20 . HD# 1 1 148 1 2 1 1 28 VAL HB . 28 . HB 1 1 149 1 1 1 1 20 PHE QD . 20 . HD# 1 1 149 1 2 1 1 28 VAL QG . 28 . HG# 1 1 150 1 1 1 1 20 PHE QE . 20 . HE# 1 1 150 1 2 1 1 26 SER H . 26 . HN 1 1 151 1 1 1 1 20 PHE QE . 20 . HE# 1 1 151 1 2 1 1 27 LEU QD . 27 . HD# 1 1 152 1 1 1 1 21 GLY QA . 21 . HA# 1 1 152 1 2 1 1 25 LEU QD . 25 . HD# 1 1 153 1 1 1 1 22 PHE QD . 22 . HD# 1 1 153 1 2 1 1 23 ARG H . 23 . HN 1 1 154 1 1 1 1 22 PHE QD . 22 . HD# 1 1 154 1 2 1 1 23 ARG HA . 23 . HA 1 1 155 1 1 1 1 22 PHE QD . 22 . HD# 1 1 155 1 2 1 1 23 ARG QB . 23 . HB# 1 1 156 1 1 1 1 22 PHE QD . 22 . HD# 1 1 156 1 2 1 1 23 ARG QG . 23 . HG# 1 1 157 1 1 1 1 22 PHE QE . 22 . HE# 1 1 157 1 2 1 1 23 ARG H . 23 . HN 1 1 158 1 1 1 1 22 PHE QE . 22 . HE# 1 1 158 1 2 1 1 23 ARG QG . 23 . HG# 1 1 159 1 1 1 1 22 PHE QE . 22 . HE# 1 1 159 1 2 1 1 25 LEU QD . 25 . HD# 1 1 160 1 1 1 1 23 ARG QB . 23 . HB# 1 1 160 1 2 1 1 24 ASN H . 24 . HN 1 1 161 1 1 1 1 23 ARG QD . 23 . HD# 1 1 161 1 2 1 1 25 LEU QD . 25 . HD# 1 1 162 1 1 1 1 23 ARG HE . 23 . HE 1 1 162 1 2 1 1 25 LEU QD . 25 . HD# 1 1 163 1 1 1 1 23 ARG QG . 23 . HG# 1 1 163 1 2 1 1 24 ASN H . 24 . HN 1 1 164 1 1 1 1 24 ASN H . 24 . HN 1 1 164 1 2 1 1 25 LEU H . 25 . HN 1 1 165 1 1 1 1 24 ASN H . 24 . HN 1 1 165 1 2 1 1 26 SER H . 26 . HN 1 1 166 1 1 1 1 24 ASN HA . 24 . HA 1 1 166 1 2 1 1 26 SER H . 26 . HN 1 1 167 1 1 1 1 25 LEU QB . 25 . HB# 1 1 167 1 2 1 1 26 SER H . 26 . HN 1 1 168 1 1 1 1 25 LEU QD . 25 . HD# 1 1 168 1 2 1 1 26 SER H . 26 . HN 1 1 169 1 1 1 1 26 SER QB . 26 . HB# 1 1 169 1 2 1 1 28 VAL HB . 28 . HB 1 1 170 1 1 1 1 26 SER QB . 26 . HB# 1 1 170 1 2 1 1 28 VAL QG . 28 . HG# 1 1 171 1 1 1 1 27 LEU QB . 27 . HB# 1 1 171 1 2 1 1 29 TRP HZ2 . 29 . HZ2 1 1 172 1 1 1 1 27 LEU QD . 27 . HD# 1 1 172 1 2 1 1 29 TRP QB . 29 . HB# 1 1 173 1 1 1 1 27 LEU QD . 27 . HD# 1 1 173 1 2 1 1 29 TRP HD1 . 29 . HD1 1 1 174 1 1 1 1 27 LEU QD . 27 . HD# 1 1 174 1 2 1 1 29 TRP HH2 . 29 . HH2 1 1 175 1 1 1 1 27 LEU QD . 27 . HD# 1 1 175 1 2 1 1 29 TRP HZ2 . 29 . HZ2 1 1 176 1 1 1 1 28 VAL HA . 28 . HA 1 1 176 1 2 1 1 29 TRP H . 29 . HN 1 1 177 1 1 1 1 28 VAL HA . 28 . HA 1 1 177 1 2 1 1 29 TRP HD1 . 29 . HD1 1 1 178 1 1 1 1 28 VAL HB . 28 . HB 1 1 178 1 2 1 1 29 TRP HD1 . 29 . HD1 1 1 179 1 1 1 1 28 VAL QG . 28 . HG# 1 1 179 1 2 1 1 29 TRP H . 29 . HN 1 1 180 1 1 1 1 29 TRP HA . 29 . HA 1 1 180 1 2 1 1 30 GLY H . 30 . HN 1 1 181 1 1 1 1 29 TRP HE3 . 29 . HE3 1 1 181 1 2 1 1 30 GLY H . 30 . HN 1 1 182 1 1 1 1 31 CYS HA . 31 . HA 1 1 182 1 2 1 1 32 SER H . 32 . HN 1 1 183 1 1 1 1 32 SER HA . 32 . HA 1 1 183 1 2 1 1 33 PRO QB . 33 . HB# 1 1 184 1 1 1 1 32 SER HA . 32 . HA 1 1 184 1 2 1 1 33 PRO QD . 33 . HD# 1 1 185 1 1 1 1 32 SER HA . 32 . HA 1 1 185 1 2 1 1 33 PRO QG . 33 . HG# 1 1 186 1 1 1 1 33 PRO HA . 33 . HA 1 1 186 1 2 1 1 34 VAL HA . 34 . HA 1 1 187 1 1 1 1 33 PRO HA . 33 . HA 1 1 187 1 2 1 1 34 VAL HB . 34 . HB 1 1 188 1 1 1 1 33 PRO HA . 33 . HA 1 1 188 1 2 1 1 34 VAL QG . 34 . HG# 1 1 189 1 1 1 1 33 PRO HA . 33 . HA 1 1 189 1 2 1 1 35 GLU H . 35 . HN 1 1 190 1 1 1 1 33 PRO QB . 33 . HB# 1 1 190 1 2 1 1 34 VAL QG . 34 . HG# 1 1 191 1 1 1 1 33 PRO QD . 33 . HD# 1 1 191 1 2 1 1 34 VAL H . 34 . HN 1 1 192 1 1 1 1 33 PRO QG . 33 . HG# 1 1 192 1 2 1 1 34 VAL H . 34 . HN 1 1 193 1 1 1 1 34 VAL QG . 34 . HG# 1 1 193 1 2 1 1 35 GLU H . 35 . HN 1 1 194 1 1 1 1 34 VAL QG . 34 . HG# 1 1 194 1 2 1 1 35 GLU HA . 35 . HA 1 1 195 1 1 1 1 34 VAL QG . 34 . HG# 1 1 195 1 2 1 1 35 GLU QG . 35 . HG# 1 1 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 1.8 1.8 3.0 1 1 2 1 . . . . . 1.8 1.8 5.5 1 1 3 1 . . . . . 1.8 1.8 5.0 1 1 4 1 . . . . . 1.8 1.8 5.0 1 1 5 1 . . . . . 1.8 1.8 5.0 1 1 6 1 . . . . . 1.8 1.8 5.0 1 1 7 1 . . . . . 1.8 1.8 5.0 1 1 8 1 . . . . . 1.8 1.8 5.0 1 1 9 1 . . . . . 1.8 1.8 5.5 1 1 10 1 . . . . . 1.8 1.8 5.0 1 1 11 1 . . . . . 1.8 1.8 5.5 1 1 12 1 . . . . . 1.8 1.8 5.0 1 1 13 1 . . . . . 1.8 1.8 5.0 1 1 14 1 . . . . . 1.8 1.8 5.5 1 1 15 1 . . . . . 1.8 1.8 5.5 1 1 16 1 . . . . . 1.8 1.8 5.5 1 1 17 1 . . . . . 1.8 1.8 5.5 1 1 18 1 . . . . . 1.8 1.8 5.5 1 1 19 1 . . . . . 1.8 1.8 5.5 1 1 20 1 . . . . . 1.8 1.8 5.5 1 1 21 1 . . . . . 1.8 1.8 5.5 1 1 22 1 . . . . . 1.8 1.8 5.0 1 1 23 1 . . . . . 1.8 1.8 5.0 1 1 24 1 . . . . . 1.8 1.8 5.0 1 1 25 1 . . . . . 1.8 1.8 5.0 1 1 26 1 . . . . . 1.8 1.8 5.0 1 1 27 1 . . . . . 1.8 1.8 5.0 1 1 28 1 . . . . . 1.8 1.8 5.0 1 1 29 1 . . . . . 1.8 1.8 5.0 1 1 30 1 . . . . . 1.8 1.8 5.0 1 1 31 1 . . . . . 1.8 1.8 5.0 1 1 32 1 . . . . . 1.8 1.8 5.0 1 1 33 1 . . . . . 1.8 1.8 5.0 1 1 34 1 . . . . . 1.8 1.8 5.0 1 1 35 1 . . . . . 1.8 1.8 5.0 1 1 36 1 . . . . . 1.8 1.8 5.0 1 1 37 1 . . . . . 1.8 1.8 5.0 1 1 38 1 . . . . . 1.8 1.8 5.0 1 1 39 1 . . . . . 1.8 1.8 5.0 1 1 40 1 . . . . . 1.8 1.8 5.0 1 1 41 1 . . . . . 1.8 1.8 5.0 1 1 42 1 . . . . . 1.8 1.8 5.0 1 1 43 1 . . . . . 1.8 1.8 5.0 1 1 44 1 . . . . . 1.8 1.8 5.0 1 1 45 1 . . . . . 1.8 1.8 5.0 1 1 46 1 . . . . . 1.8 1.8 5.0 1 1 47 1 . . . . . 1.8 1.8 3.0 1 1 48 1 . . . . . 1.8 1.8 5.0 1 1 49 1 . . . . . 1.8 1.8 5.0 1 1 50 1 . . . . . 1.8 1.8 5.0 1 1 51 1 . . . . . 1.8 1.8 5.0 1 1 52 1 . . . . . 1.8 1.8 5.0 1 1 53 1 . . . . . 1.8 1.8 5.0 1 1 54 1 . . . . . 1.8 1.8 5.0 1 1 55 1 . . . . . 1.8 1.8 5.0 1 1 56 1 . . . . . 1.8 1.8 5.5 1 1 57 1 . . . . . 1.8 1.8 5.5 1 1 58 1 . . . . . 1.8 1.8 5.0 1 1 59 1 . . . . . 1.8 1.8 5.0 1 1 60 1 . . . . . 1.8 1.8 5.0 1 1 61 1 . . . . . 1.8 1.8 5.0 1 1 62 1 . . . . . 1.8 1.8 5.5 1 1 63 1 . . . . . 1.8 1.8 5.0 1 1 64 1 . . . . . 1.8 1.8 5.0 1 1 65 1 . . . . . 1.8 1.8 3.5 1 1 66 1 . . . . . 1.8 1.8 5.5 1 1 67 1 . . . . . 1.8 1.8 5.5 1 1 68 1 . . . . . 1.8 1.8 5.5 1 1 69 1 . . . . . 1.8 1.8 3.0 1 1 70 1 . . . . . 1.8 1.8 5.5 1 1 71 1 . . . . . 1.8 1.8 5.0 1 1 72 1 . . . . . 1.8 1.8 5.5 1 1 73 1 . . . . . 1.8 1.8 3.0 1 1 74 1 . . . . . 1.8 1.8 5.5 1 1 75 1 . . . . . 1.8 1.8 2.5 1 1 76 1 . . . . . 1.8 1.8 5.0 1 1 77 1 . . . . . 1.8 1.8 3.5 1 1 78 1 . . . . . 1.8 1.8 5.5 1 1 79 1 . . . . . 1.8 1.8 5.0 1 1 80 1 . . . . . 1.8 1.8 5.0 1 1 81 1 . . . . . 1.8 1.8 5.0 1 1 82 1 . . . . . 1.8 1.8 5.0 1 1 83 1 . . . . . 1.8 1.8 5.5 1 1 84 1 . . . . . 1.8 1.8 5.0 1 1 85 1 . . . . . 1.8 1.8 3.0 1 1 86 1 . . . . . 1.8 1.8 5.0 1 1 87 1 . . . . . 1.8 1.8 5.0 1 1 88 1 . . . . . 1.8 1.8 5.0 1 1 89 1 . . . . . 1.8 1.8 5.5 1 1 90 1 . . . . . 1.8 1.8 5.0 1 1 91 1 . . . . . 1.8 1.8 5.0 1 1 92 1 . . . . . 1.8 1.8 5.0 1 1 93 1 . . . . . 1.8 1.8 5.5 1 1 94 1 . . . . . 1.8 1.8 5.5 1 1 95 1 . . . . . 1.8 1.8 5.5 1 1 96 1 . . . . . 1.8 1.8 5.5 1 1 97 1 . . . . . 1.8 1.8 5.5 1 1 98 1 . . . . . 1.8 1.8 5.5 1 1 99 1 . . . . . 1.8 1.8 2.5 1 1 100 1 . . . . . 1.8 1.8 5.0 1 1 101 1 . . . . . 1.8 1.8 5.0 1 1 102 1 . . . . . 1.8 1.8 5.0 1 1 103 1 . . . . . 1.8 1.8 5.0 1 1 104 1 . . . . . 1.8 1.8 3.0 1 1 105 1 . . . . . 1.8 1.8 5.0 1 1 106 1 . . . . . 1.8 1.8 5.0 1 1 107 1 . . . . . 1.8 1.8 5.0 1 1 108 1 . . . . . 1.8 1.8 5.0 1 1 109 1 . . . . . 1.8 1.8 5.0 1 1 110 1 . . . . . 1.8 1.8 5.5 1 1 111 1 . . . . . 1.8 1.8 5.0 1 1 112 1 . . . . . 1.8 1.8 5.0 1 1 113 1 . . . . . 1.8 1.8 5.5 1 1 114 1 . . . . . 1.8 1.8 5.0 1 1 115 1 . . . . . 1.8 1.8 5.0 1 1 116 1 . . . . . 1.8 1.8 5.0 1 1 117 1 . . . . . 1.8 1.8 5.0 1 1 118 1 . . . . . 1.8 1.8 5.5 1 1 119 1 . . . . . 1.8 1.8 5.5 1 1 120 1 . . . . . 1.8 1.8 5.0 1 1 121 1 . . . . . 1.8 1.8 5.5 1 1 122 1 . . . . . 1.8 1.8 5.0 1 1 123 1 . . . . . 1.8 1.8 3.5 1 1 124 1 . . . . . 1.8 1.8 5.5 1 1 125 1 . . . . . 1.8 1.8 5.5 1 1 126 1 . . . . . 1.8 1.8 5.5 1 1 127 1 . . . . . 1.8 1.8 5.5 1 1 128 1 . . . . . 1.8 1.8 5.5 1 1 129 1 . . . . . 1.8 1.8 5.5 1 1 130 1 . . . . . 1.8 1.8 5.5 1 1 131 1 . . . . . 1.8 1.8 5.5 1 1 132 1 . . . . . 1.8 1.8 5.0 1 1 133 1 . . . . . 1.8 1.8 5.5 1 1 134 1 . . . . . 1.8 1.8 5.0 1 1 135 1 . . . . . 1.8 1.8 5.0 1 1 136 1 . . . . . 1.8 1.8 5.0 1 1 137 1 . . . . . 1.8 1.8 5.0 1 1 138 1 . . . . . 1.8 1.8 5.5 1 1 139 1 . . . . . 1.8 1.8 5.0 1 1 140 1 . . . . . 1.8 1.8 5.5 1 1 141 1 . . . . . 1.8 1.8 5.0 1 1 142 1 . . . . . 1.8 1.8 5.0 1 1 143 1 . . . . . 1.8 1.8 5.0 1 1 144 1 . . . . . 1.8 1.8 5.5 1 1 145 1 . . . . . 1.8 1.8 5.0 1 1 146 1 . . . . . 1.8 1.8 5.0 1 1 147 1 . . . . . 1.8 1.8 5.5 1 1 148 1 . . . . . 1.8 1.8 5.0 1 1 149 1 . . . . . 1.8 1.8 5.5 1 1 150 1 . . . . . 1.8 1.8 5.0 1 1 151 1 . . . . . 1.8 1.8 5.5 1 1 152 1 . . . . . 1.8 1.8 5.5 1 1 153 1 . . . . . 1.8 1.8 5.0 1 1 154 1 . . . . . 1.8 1.8 5.0 1 1 155 1 . . . . . 1.8 1.8 5.0 1 1 156 1 . . . . . 1.8 1.8 5.0 1 1 157 1 . . . . . 1.8 1.8 5.0 1 1 158 1 . . . . . 1.8 1.8 5.0 1 1 159 1 . . . . . 1.8 1.8 5.5 1 1 160 1 . . . . . 1.8 1.8 3.0 1 1 161 1 . . . . . 1.8 1.8 5.5 1 1 162 1 . . . . . 1.8 1.8 5.5 1 1 163 1 . . . . . 1.8 1.8 5.0 1 1 164 1 . . . . . 1.8 1.8 5.0 1 1 165 1 . . . . . 1.8 1.8 5.0 1 1 166 1 . . . . . 1.8 1.8 5.0 1 1 167 1 . . . . . 1.8 1.8 5.0 1 1 168 1 . . . . . 1.8 1.8 5.5 1 1 169 1 . . . . . 1.8 1.8 5.0 1 1 170 1 . . . . . 1.8 1.8 5.5 1 1 171 1 . . . . . 1.8 1.8 5.0 1 1 172 1 . . . . . 1.8 1.8 5.5 1 1 173 1 . . . . . 1.8 1.8 5.5 1 1 174 1 . . . . . 1.8 1.8 5.5 1 1 175 1 . . . . . 1.8 1.8 5.5 1 1 176 1 . . . . . 1.8 1.8 3.0 1 1 177 1 . . . . . 1.8 1.8 5.0 1 1 178 1 . . . . . 1.8 1.8 5.0 1 1 179 1 . . . . . 1.8 1.8 5.5 1 1 180 1 . . . . . 1.8 1.8 3.0 1 1 181 1 . . . . . 1.8 1.8 5.0 1 1 182 1 . . . . . 1.8 1.8 2.5 1 1 183 1 . . . . . 1.8 1.8 5.0 1 1 184 1 . . . . . 1.8 1.8 5.0 1 1 185 1 . . . . . 1.8 1.8 5.0 1 1 186 1 . . . . . 1.8 1.8 5.0 1 1 187 1 . . . . . 1.8 1.8 5.0 1 1 188 1 . . . . . 1.8 1.8 5.5 1 1 189 1 . . . . . 1.8 1.8 5.0 1 1 190 1 . . . . . 1.8 1.8 5.5 1 1 191 1 . . . . . 1.8 1.8 5.0 1 1 192 1 . . . . . 1.8 1.8 5.5 1 1 193 1 . . . . . 1.8 1.8 5.0 1 1 194 1 . . . . . 1.8 1.8 5.5 1 1 195 1 . . . . . 1.8 1.8 5.5 1 1 stop_ save_ save_conformer_family_coord_set_1 _Conformer_family_coord_set.Sf_category conformer_family_coord_set _Conformer_family_coord_set.Entry_ID 1 _Conformer_family_coord_set.ID 1 loop_ _Atom_site.Model_ID _Atom_site.ID _Atom_site.Label_entity_assembly_ID _Atom_site.Label_entity_ID _Atom_site.Label_comp_index_ID _Atom_site.Label_comp_ID _Atom_site.Label_atom_ID _Atom_site.Type_symbol _Atom_site.Cartn_x _Atom_site.Cartn_y _Atom_site.Cartn_z _Atom_site.Occupancy _Atom_site.Uncertainty _Atom_site.PDBX_label_asym_ID _Atom_site.PDB_strand_ID _Atom_site.PDB_ins_code _Atom_site.PDB_residue_no _Atom_site.PDB_residue_name _Atom_site.PDB_atom_name _Atom_site.Entry_ID _Atom_site.Conformer_family_coord_set_ID 1 1 1 1 1 ASP C C -10.052 6.441 1.685 1.00 . A A . 1 ASP C 1 1 1 2 1 1 1 ASP CA C -11.278 6.376 0.771 1.00 . A A . 1 ASP CA 1 1 1 3 1 1 1 ASP CB C -10.982 7.057 -0.565 1.00 . A A . 1 ASP CB 1 1 1 4 1 1 1 ASP CG C -10.681 8.538 -0.325 1.00 . A A . 1 ASP CG 1 1 1 5 1 1 1 ASP H1 H -13.227 7.115 0.721 1.00 . A A . 1 ASP H1 1 1 1 6 1 1 1 ASP H2 H -12.114 8.146 1.488 1.00 . A A . 1 ASP H2 1 1 1 7 1 1 1 ASP H3 H -12.666 6.749 2.280 1.00 . A A . 1 ASP H3 1 1 1 8 1 1 1 ASP HA H -11.573 5.352 0.605 1.00 . A A . 1 ASP HA 1 1 1 9 1 1 1 ASP HB2 H -10.127 6.585 -1.027 1.00 . A A . 1 ASP HB2 1 1 1 10 1 1 1 ASP HB3 H -11.839 6.966 -1.215 1.00 . A A . 1 ASP HB3 1 1 1 11 1 1 1 ASP N N -12.406 7.155 1.360 1.00 . A A . 1 ASP N 1 1 1 12 1 1 1 ASP O O -9.922 7.328 2.504 1.00 . A A . 1 ASP O 1 1 1 13 1 1 1 ASP OD1 O -9.544 8.848 -0.009 1.00 . A A . 1 ASP OD1 1 1 1 14 1 1 1 ASP OD2 O -11.592 9.337 -0.460 1.00 . A A . 1 ASP OD2 1 1 1 15 1 1 2 HIS C C -6.739 6.071 1.615 1.00 . A A . 2 HIS C 1 1 1 16 1 1 2 HIS CA C -7.929 5.517 2.405 1.00 . A A . 2 HIS CA 1 1 1 17 1 1 2 HIS CB C -7.695 4.050 2.772 1.00 . A A . 2 HIS CB 1 1 1 18 1 1 2 HIS CD2 C -6.532 2.870 4.811 1.00 . A A . 2 HIS CD2 1 1 1 19 1 1 2 HIS CE1 C -6.205 4.613 6.055 1.00 . A A . 2 HIS CE1 1 1 1 20 1 1 2 HIS CG C -7.029 3.948 4.120 1.00 . A A . 2 HIS CG 1 1 1 21 1 1 2 HIS H H -9.273 4.801 0.878 1.00 . A A . 2 HIS H 1 1 1 22 1 1 2 HIS HA H -8.102 6.100 3.292 1.00 . A A . 2 HIS HA 1 1 1 23 1 1 2 HIS HB2 H -8.643 3.533 2.801 1.00 . A A . 2 HIS HB2 1 1 1 24 1 1 2 HIS HB3 H -7.063 3.592 2.025 1.00 . A A . 2 HIS HB3 1 1 1 25 1 1 2 HIS HD1 H -7.045 5.979 4.736 1.00 . A A . 2 HIS HD1 1 1 1 26 1 1 2 HIS HD2 H -6.541 1.849 4.458 1.00 . A A . 2 HIS HD2 1 1 1 27 1 1 2 HIS HE1 H -5.912 5.252 6.875 1.00 . A A . 2 HIS HE1 1 1 1 28 1 1 2 HIS N N -9.150 5.507 1.547 1.00 . A A . 2 HIS N 1 1 1 29 1 1 2 HIS ND1 N -6.808 5.051 4.936 1.00 . A A . 2 HIS ND1 1 1 1 30 1 1 2 HIS NE2 N -6.012 3.292 6.030 1.00 . A A . 2 HIS NE2 1 1 1 31 1 1 2 HIS O O -6.893 6.574 0.519 1.00 . A A . 2 HIS O 1 1 1 32 1 1 3 VAL C C -3.073 6.071 2.122 1.00 . A A . 3 VAL C 1 1 1 33 1 1 3 VAL CA C -4.365 6.509 1.426 1.00 . A A . 3 VAL CA 1 1 1 34 1 1 3 VAL CB C -4.512 8.030 1.472 1.00 . A A . 3 VAL CB 1 1 1 35 1 1 3 VAL CG1 C -4.576 8.495 2.928 1.00 . A A . 3 VAL CG1 1 1 1 36 1 1 3 VAL CG2 C -3.311 8.681 0.783 1.00 . A A . 3 VAL CG2 1 1 1 37 1 1 3 VAL H H -5.448 5.575 3.041 1.00 . A A . 3 VAL H 1 1 1 38 1 1 3 VAL HA H -4.373 6.170 0.402 1.00 . A A . 3 VAL HA 1 1 1 39 1 1 3 VAL HB H -5.420 8.318 0.963 1.00 . A A . 3 VAL HB 1 1 1 40 1 1 3 VAL HG11 H -5.071 7.743 3.524 1.00 . A A . 3 VAL HG11 1 1 1 41 1 1 3 VAL HG12 H -5.128 9.421 2.985 1.00 . A A . 3 VAL HG12 1 1 1 42 1 1 3 VAL HG13 H -3.574 8.649 3.300 1.00 . A A . 3 VAL HG13 1 1 1 43 1 1 3 VAL HG21 H -2.715 9.203 1.518 1.00 . A A . 3 VAL HG21 1 1 1 44 1 1 3 VAL HG22 H -3.659 9.381 0.039 1.00 . A A . 3 VAL HG22 1 1 1 45 1 1 3 VAL HG23 H -2.711 7.919 0.309 1.00 . A A . 3 VAL HG23 1 1 1 46 1 1 3 VAL N N -5.555 5.984 2.157 1.00 . A A . 3 VAL N 1 1 1 47 1 1 3 VAL O O -2.611 6.705 3.050 1.00 . A A . 3 VAL O 1 1 1 48 1 1 4 CYS C C -0.014 5.196 1.662 1.00 . A A . 4 CYS C 1 1 1 49 1 1 4 CYS CA C -1.222 4.516 2.314 1.00 . A A . 4 CYS CA 1 1 1 50 1 1 4 CYS CB C -1.191 3.009 2.055 1.00 . A A . 4 CYS CB 1 1 1 51 1 1 4 CYS H H -2.872 4.497 0.928 1.00 . A A . 4 CYS H 1 1 1 52 1 1 4 CYS HA H -1.237 4.709 3.375 1.00 . A A . 4 CYS HA 1 1 1 53 1 1 4 CYS HB2 H -1.616 2.802 1.085 1.00 . A A . 4 CYS HB2 1 1 1 54 1 1 4 CYS HB3 H -0.169 2.661 2.082 1.00 . A A . 4 CYS HB3 1 1 1 55 1 1 4 CYS N N -2.485 4.993 1.679 1.00 . A A . 4 CYS N 1 1 1 56 1 1 4 CYS O O 0.016 5.417 0.468 1.00 . A A . 4 CYS O 1 1 1 57 1 1 4 CYS SG S -2.153 2.156 3.329 1.00 . A A . 4 CYS SG 1 1 1 58 1 1 5 ASP C C 1.777 7.443 1.076 1.00 . A A . 5 ASP C 1 1 1 59 1 1 5 ASP CA C 2.186 6.193 1.862 1.00 . A A . 5 ASP CA 1 1 1 60 1 1 5 ASP CB C 2.805 5.147 0.933 1.00 . A A . 5 ASP CB 1 1 1 61 1 1 5 ASP CG C 3.967 5.771 0.158 1.00 . A A . 5 ASP CG 1 1 1 62 1 1 5 ASP H H 0.937 5.341 3.399 1.00 . A A . 5 ASP H 1 1 1 63 1 1 5 ASP HA H 2.883 6.450 2.644 1.00 . A A . 5 ASP HA 1 1 1 64 1 1 5 ASP HB2 H 3.168 4.316 1.520 1.00 . A A . 5 ASP HB2 1 1 1 65 1 1 5 ASP HB3 H 2.057 4.797 0.238 1.00 . A A . 5 ASP HB3 1 1 1 66 1 1 5 ASP N N 0.981 5.529 2.438 1.00 . A A . 5 ASP N 1 1 1 67 1 1 5 ASP O O 1.664 8.521 1.624 1.00 . A A . 5 ASP O 1 1 1 68 1 1 5 ASP OD1 O 4.184 6.962 0.310 1.00 . A A . 5 ASP OD1 1 1 1 69 1 1 5 ASP OD2 O 4.619 5.047 -0.576 1.00 . A A . 5 ASP OD2 1 1 1 70 1 1 6 ASP C C 0.297 8.047 -2.206 1.00 . A A . 6 ASP C 1 1 1 71 1 1 6 ASP CA C 1.154 8.491 -1.018 1.00 . A A . 6 ASP CA 1 1 1 72 1 1 6 ASP CB C 2.470 9.101 -1.504 1.00 . A A . 6 ASP CB 1 1 1 73 1 1 6 ASP CG C 3.003 10.076 -0.453 1.00 . A A . 6 ASP CG 1 1 1 74 1 1 6 ASP H H 1.649 6.431 -0.628 1.00 . A A . 6 ASP H 1 1 1 75 1 1 6 ASP HA H 0.619 9.204 -0.411 1.00 . A A . 6 ASP HA 1 1 1 76 1 1 6 ASP HB2 H 3.193 8.314 -1.666 1.00 . A A . 6 ASP HB2 1 1 1 77 1 1 6 ASP HB3 H 2.302 9.631 -2.430 1.00 . A A . 6 ASP HB3 1 1 1 78 1 1 6 ASP N N 1.554 7.308 -0.203 1.00 . A A . 6 ASP N 1 1 1 79 1 1 6 ASP O O -0.916 8.036 -2.139 1.00 . A A . 6 ASP O 1 1 1 80 1 1 6 ASP OD1 O 3.656 9.620 0.472 1.00 . A A . 6 ASP OD1 1 1 1 81 1 1 6 ASP OD2 O 2.751 11.262 -0.590 1.00 . A A . 6 ASP OD2 1 1 1 82 1 1 7 ASN C C -0.576 5.912 -4.179 1.00 . A A . 7 ASN C 1 1 1 83 1 1 7 ASN CA C 0.139 7.231 -4.483 1.00 . A A . 7 ASN CA 1 1 1 84 1 1 7 ASN CB C 1.177 7.034 -5.588 1.00 . A A . 7 ASN CB 1 1 1 85 1 1 7 ASN CG C 2.319 6.158 -5.070 1.00 . A A . 7 ASN CG 1 1 1 86 1 1 7 ASN H H 1.898 7.692 -3.325 1.00 . A A . 7 ASN H 1 1 1 87 1 1 7 ASN HA H -0.572 7.988 -4.774 1.00 . A A . 7 ASN HA 1 1 1 88 1 1 7 ASN HB2 H 0.712 6.555 -6.437 1.00 . A A . 7 ASN HB2 1 1 1 89 1 1 7 ASN HB3 H 1.571 7.994 -5.887 1.00 . A A . 7 ASN HB3 1 1 1 90 1 1 7 ASN HD21 H 1.556 4.481 -5.810 1.00 . A A . 7 ASN HD21 1 1 1 91 1 1 7 ASN HD22 H 3.025 4.304 -4.978 1.00 . A A . 7 ASN HD22 1 1 1 92 1 1 7 ASN N N 0.918 7.677 -3.293 1.00 . A A . 7 ASN N 1 1 1 93 1 1 7 ASN ND2 N 2.298 4.874 -5.305 1.00 . A A . 7 ASN ND2 1 1 1 94 1 1 7 ASN O O -0.156 4.855 -4.607 1.00 . A A . 7 ASN O 1 1 1 95 1 1 7 ASN OD1 O 3.239 6.645 -4.443 1.00 . A A . 7 ASN OD1 1 1 1 96 1 1 8 PHE C C -3.726 5.057 -2.442 1.00 . A A . 8 PHE C 1 1 1 97 1 1 8 PHE CA C -2.391 4.714 -3.109 1.00 . A A . 8 PHE CA 1 1 1 98 1 1 8 PHE CB C -1.476 3.967 -2.137 1.00 . A A . 8 PHE CB 1 1 1 99 1 1 8 PHE CD1 C -3.105 2.459 -0.942 1.00 . A A . 8 PHE CD1 1 1 1 100 1 1 8 PHE CD2 C -1.515 1.469 -2.483 1.00 . A A . 8 PHE CD2 1 1 1 101 1 1 8 PHE CE1 C -3.632 1.191 -0.672 1.00 . A A . 8 PHE CE1 1 1 1 102 1 1 8 PHE CE2 C -2.042 0.200 -2.211 1.00 . A A . 8 PHE CE2 1 1 1 103 1 1 8 PHE CG C -2.046 2.599 -1.847 1.00 . A A . 8 PHE CG 1 1 1 104 1 1 8 PHE CZ C -3.101 0.061 -1.306 1.00 . A A . 8 PHE CZ 1 1 1 105 1 1 8 PHE H H -1.973 6.829 -3.107 1.00 . A A . 8 PHE H 1 1 1 106 1 1 8 PHE HA H -2.550 4.121 -3.996 1.00 . A A . 8 PHE HA 1 1 1 107 1 1 8 PHE HB2 H -0.495 3.863 -2.576 1.00 . A A . 8 PHE HB2 1 1 1 108 1 1 8 PHE HB3 H -1.399 4.526 -1.215 1.00 . A A . 8 PHE HB3 1 1 1 109 1 1 8 PHE HD1 H -3.514 3.330 -0.452 1.00 . A A . 8 PHE HD1 1 1 1 110 1 1 8 PHE HD2 H -0.698 1.576 -3.181 1.00 . A A . 8 PHE HD2 1 1 1 111 1 1 8 PHE HE1 H -4.449 1.083 0.026 1.00 . A A . 8 PHE HE1 1 1 1 112 1 1 8 PHE HE2 H -1.632 -0.671 -2.701 1.00 . A A . 8 PHE HE2 1 1 1 113 1 1 8 PHE HZ H -3.508 -0.917 -1.097 1.00 . A A . 8 PHE HZ 1 1 1 114 1 1 8 PHE N N -1.652 5.965 -3.443 1.00 . A A . 8 PHE N 1 1 1 115 1 1 8 PHE O O -3.890 6.118 -1.874 1.00 . A A . 8 PHE O 1 1 1 116 1 1 9 SER C C -6.903 3.227 -1.911 1.00 . A A . 9 SER C 1 1 1 117 1 1 9 SER CA C -6.001 4.463 -1.873 1.00 . A A . 9 SER CA 1 1 1 118 1 1 9 SER CB C -6.604 5.588 -2.714 1.00 . A A . 9 SER CB 1 1 1 119 1 1 9 SER H H -4.537 3.321 -2.970 1.00 . A A . 9 SER H 1 1 1 120 1 1 9 SER HA H -5.864 4.798 -0.858 1.00 . A A . 9 SER HA 1 1 1 121 1 1 9 SER HB2 H -7.379 6.083 -2.153 1.00 . A A . 9 SER HB2 1 1 1 122 1 1 9 SER HB3 H -5.830 6.303 -2.963 1.00 . A A . 9 SER HB3 1 1 1 123 1 1 9 SER HG H -7.977 5.512 -4.090 1.00 . A A . 9 SER HG 1 1 1 124 1 1 9 SER N N -4.683 4.172 -2.507 1.00 . A A . 9 SER N 1 1 1 125 1 1 9 SER O O -6.826 2.413 -2.809 1.00 . A A . 9 SER O 1 1 1 126 1 1 9 SER OG O -7.162 5.041 -3.901 1.00 . A A . 9 SER OG 1 1 1 127 1 1 10 CYS C C -9.892 2.229 -0.023 1.00 . A A . 10 CYS C 1 1 1 128 1 1 10 CYS CA C -8.679 1.913 -0.906 1.00 . A A . 10 CYS CA 1 1 1 129 1 1 10 CYS CB C -7.849 0.777 -0.303 1.00 . A A . 10 CYS CB 1 1 1 130 1 1 10 CYS H H -7.806 3.760 -0.227 1.00 . A A . 10 CYS H 1 1 1 131 1 1 10 CYS HA H -8.993 1.652 -1.905 1.00 . A A . 10 CYS HA 1 1 1 132 1 1 10 CYS HB2 H -6.901 1.166 0.038 1.00 . A A . 10 CYS HB2 1 1 1 133 1 1 10 CYS HB3 H -8.383 0.346 0.531 1.00 . A A . 10 CYS HB3 1 1 1 134 1 1 10 CYS N N -7.762 3.088 -0.938 1.00 . A A . 10 CYS N 1 1 1 135 1 1 10 CYS O O -9.741 2.616 1.118 1.00 . A A . 10 CYS O 1 1 1 136 1 1 10 CYS SG S -7.562 -0.495 -1.560 1.00 . A A . 10 CYS SG 1 1 1 137 1 1 11 PRO C C -12.541 1.283 1.242 1.00 . A A . 11 PRO C 1 1 1 138 1 1 11 PRO CA C -12.312 2.340 0.159 1.00 . A A . 11 PRO CA 1 1 1 139 1 1 11 PRO CB C -13.393 2.263 -0.917 1.00 . A A . 11 PRO CB 1 1 1 140 1 1 11 PRO CD C -11.321 1.595 -1.952 1.00 . A A . 11 PRO CD 1 1 1 141 1 1 11 PRO CG C -12.813 1.390 -1.983 1.00 . A A . 11 PRO CG 1 1 1 142 1 1 11 PRO HA H -12.288 3.328 0.589 1.00 . A A . 11 PRO HA 1 1 1 143 1 1 11 PRO HB2 H -14.293 1.819 -0.512 1.00 . A A . 11 PRO HB2 1 1 1 144 1 1 11 PRO HB3 H -13.601 3.244 -1.314 1.00 . A A . 11 PRO HB3 1 1 1 145 1 1 11 PRO HD2 H -10.807 0.663 -2.145 1.00 . A A . 11 PRO HD2 1 1 1 146 1 1 11 PRO HD3 H -11.025 2.349 -2.665 1.00 . A A . 11 PRO HD3 1 1 1 147 1 1 11 PRO HG2 H -13.051 0.355 -1.781 1.00 . A A . 11 PRO HG2 1 1 1 148 1 1 11 PRO HG3 H -13.200 1.678 -2.948 1.00 . A A . 11 PRO HG3 1 1 1 149 1 1 11 PRO N N -11.058 2.060 -0.586 1.00 . A A . 11 PRO N 1 1 1 150 1 1 11 PRO O O -13.543 0.597 1.252 1.00 . A A . 11 PRO O 1 1 1 151 1 1 12 ALA C C -12.255 -1.199 2.648 1.00 . A A . 12 ALA C 1 1 1 152 1 1 12 ALA CA C -11.782 0.132 3.236 1.00 . A A . 12 ALA CA 1 1 1 153 1 1 12 ALA CB C -12.847 0.713 4.164 1.00 . A A . 12 ALA CB 1 1 1 154 1 1 12 ALA H H -10.815 1.709 2.129 1.00 . A A . 12 ALA H 1 1 1 155 1 1 12 ALA HA H -10.857 0.001 3.774 1.00 . A A . 12 ALA HA 1 1 1 156 1 1 12 ALA HB1 H -12.392 1.429 4.832 1.00 . A A . 12 ALA HB1 1 1 1 157 1 1 12 ALA HB2 H -13.295 -0.083 4.740 1.00 . A A . 12 ALA HB2 1 1 1 158 1 1 12 ALA HB3 H -13.608 1.203 3.575 1.00 . A A . 12 ALA HB3 1 1 1 159 1 1 12 ALA N N -11.617 1.146 2.155 1.00 . A A . 12 ALA N 1 1 1 160 1 1 12 ALA O O -12.850 -2.012 3.327 1.00 . A A . 12 ALA O 1 1 1 161 1 1 13 GLY C C -11.202 -3.610 0.563 1.00 . A A . 13 GLY C 1 1 1 162 1 1 13 GLY CA C -12.422 -2.711 0.763 1.00 . A A . 13 GLY CA 1 1 1 163 1 1 13 GLY H H -11.507 -0.764 0.863 1.00 . A A . 13 GLY H 1 1 1 164 1 1 13 GLY HA2 H -13.136 -3.205 1.408 1.00 . A A . 13 GLY HA2 1 1 1 165 1 1 13 GLY HA3 H -12.878 -2.508 -0.194 1.00 . A A . 13 GLY HA3 1 1 1 166 1 1 13 GLY N N -11.991 -1.431 1.392 1.00 . A A . 13 GLY N 1 1 1 167 1 1 13 GLY O O -11.257 -4.606 -0.131 1.00 . A A . 13 GLY O 1 1 1 168 1 1 14 SER C C -7.812 -3.639 2.031 1.00 . A A . 14 SER C 1 1 1 169 1 1 14 SER CA C -8.869 -4.092 1.020 1.00 . A A . 14 SER CA 1 1 1 170 1 1 14 SER CB C -8.392 -3.840 -0.410 1.00 . A A . 14 SER CB 1 1 1 171 1 1 14 SER H H -10.079 -2.456 1.723 1.00 . A A . 14 SER H 1 1 1 172 1 1 14 SER HA H -9.099 -5.137 1.155 1.00 . A A . 14 SER HA 1 1 1 173 1 1 14 SER HB2 H -8.615 -2.824 -0.693 1.00 . A A . 14 SER HB2 1 1 1 174 1 1 14 SER HB3 H -7.324 -4.001 -0.467 1.00 . A A . 14 SER HB3 1 1 1 175 1 1 14 SER HG H -9.917 -4.943 -0.906 1.00 . A A . 14 SER HG 1 1 1 176 1 1 14 SER N N -10.099 -3.264 1.169 1.00 . A A . 14 SER N 1 1 1 177 1 1 14 SER O O -8.106 -2.937 2.978 1.00 . A A . 14 SER O 1 1 1 178 1 1 14 SER OG O -9.065 -4.729 -1.293 1.00 . A A . 14 SER OG 1 1 1 179 1 1 15 THR C C -4.239 -3.250 2.032 1.00 . A A . 15 THR C 1 1 1 180 1 1 15 THR CA C -5.513 -3.621 2.793 1.00 . A A . 15 THR CA 1 1 1 181 1 1 15 THR CB C -5.271 -4.844 3.677 1.00 . A A . 15 THR CB 1 1 1 182 1 1 15 THR CG2 C -6.260 -4.832 4.842 1.00 . A A . 15 THR CG2 1 1 1 183 1 1 15 THR H H -6.364 -4.600 1.071 1.00 . A A . 15 THR H 1 1 1 184 1 1 15 THR HA H -5.846 -2.792 3.397 1.00 . A A . 15 THR HA 1 1 1 185 1 1 15 THR HB H -4.265 -4.814 4.065 1.00 . A A . 15 THR HB 1 1 1 186 1 1 15 THR HG1 H -4.579 -6.352 2.663 1.00 . A A . 15 THR HG1 1 1 1 187 1 1 15 THR HG21 H -6.497 -3.810 5.100 1.00 . A A . 15 THR HG21 1 1 1 188 1 1 15 THR HG22 H -5.818 -5.326 5.694 1.00 . A A . 15 THR HG22 1 1 1 189 1 1 15 THR HG23 H -7.163 -5.349 4.554 1.00 . A A . 15 THR HG23 1 1 1 190 1 1 15 THR N N -6.583 -4.034 1.840 1.00 . A A . 15 THR N 1 1 1 191 1 1 15 THR O O -4.010 -3.705 0.930 1.00 . A A . 15 THR O 1 1 1 192 1 1 15 THR OG1 O -5.448 -6.026 2.910 1.00 . A A . 15 THR OG1 1 1 1 193 1 1 16 CYS C C -1.093 -3.122 2.052 1.00 . A A . 16 CYS C 1 1 1 194 1 1 16 CYS CA C -2.152 -2.027 1.914 1.00 . A A . 16 CYS CA 1 1 1 195 1 1 16 CYS CB C -1.695 -0.749 2.620 1.00 . A A . 16 CYS CB 1 1 1 196 1 1 16 CYS H H -3.611 -2.070 3.500 1.00 . A A . 16 CYS H 1 1 1 197 1 1 16 CYS HA H -2.350 -1.822 0.875 1.00 . A A . 16 CYS HA 1 1 1 198 1 1 16 CYS HB2 H -1.582 -0.943 3.676 1.00 . A A . 16 CYS HB2 1 1 1 199 1 1 16 CYS HB3 H -0.747 -0.432 2.210 1.00 . A A . 16 CYS HB3 1 1 1 200 1 1 16 CYS N N -3.409 -2.427 2.610 1.00 . A A . 16 CYS N 1 1 1 201 1 1 16 CYS O O -0.447 -3.249 3.073 1.00 . A A . 16 CYS O 1 1 1 202 1 1 16 CYS SG S -2.928 0.554 2.373 1.00 . A A . 16 CYS SG 1 1 1 203 1 1 17 SER C C 1.418 -4.440 1.690 1.00 . A A . 17 SER C 1 1 1 204 1 1 17 SER CA C 0.117 -4.994 1.104 1.00 . A A . 17 SER CA 1 1 1 205 1 1 17 SER CB C 0.330 -5.439 -0.341 1.00 . A A . 17 SER CB 1 1 1 206 1 1 17 SER H H -1.434 -3.791 0.213 1.00 . A A . 17 SER H 1 1 1 207 1 1 17 SER HA H -0.246 -5.819 1.697 1.00 . A A . 17 SER HA 1 1 1 208 1 1 17 SER HB2 H 0.598 -4.589 -0.946 1.00 . A A . 17 SER HB2 1 1 1 209 1 1 17 SER HB3 H 1.128 -6.169 -0.377 1.00 . A A . 17 SER HB3 1 1 1 210 1 1 17 SER HG H -0.655 -6.525 -1.619 1.00 . A A . 17 SER HG 1 1 1 211 1 1 17 SER N N -0.906 -3.912 1.030 1.00 . A A . 17 SER N 1 1 1 212 1 1 17 SER O O 2.047 -5.055 2.528 1.00 . A A . 17 SER O 1 1 1 213 1 1 17 SER OG O -0.873 -6.008 -0.840 1.00 . A A . 17 SER OG 1 1 1 214 1 1 18 SER C C 4.279 -3.557 1.463 1.00 . A A . 18 SER C 1 1 1 215 1 1 18 SER CA C 3.074 -2.669 1.780 1.00 . A A . 18 SER CA 1 1 1 216 1 1 18 SER CB C 2.865 -2.570 3.290 1.00 . A A . 18 SER CB 1 1 1 217 1 1 18 SER H H 1.291 -2.801 0.580 1.00 . A A . 18 SER H 1 1 1 218 1 1 18 SER HA H 3.214 -1.685 1.364 1.00 . A A . 18 SER HA 1 1 1 219 1 1 18 SER HB2 H 1.834 -2.338 3.499 1.00 . A A . 18 SER HB2 1 1 1 220 1 1 18 SER HB3 H 3.120 -3.516 3.751 1.00 . A A . 18 SER HB3 1 1 1 221 1 1 18 SER HG H 4.574 -1.894 3.931 1.00 . A A . 18 SER HG 1 1 1 222 1 1 18 SER N N 1.819 -3.278 1.254 1.00 . A A . 18 SER N 1 1 1 223 1 1 18 SER O O 4.389 -4.669 1.942 1.00 . A A . 18 SER O 1 1 1 224 1 1 18 SER OG O 3.691 -1.537 3.811 1.00 . A A . 18 SER OG 1 1 1 225 1 1 19 ALA C C 7.636 -2.981 0.372 1.00 . A A . 19 ALA C 1 1 1 226 1 1 19 ALA CA C 6.392 -3.871 0.319 1.00 . A A . 19 ALA CA 1 1 1 227 1 1 19 ALA CB C 6.143 -4.371 -1.104 1.00 . A A . 19 ALA CB 1 1 1 228 1 1 19 ALA H H 5.079 -2.167 0.297 1.00 . A A . 19 ALA H 1 1 1 229 1 1 19 ALA HA H 6.496 -4.707 0.993 1.00 . A A . 19 ALA HA 1 1 1 230 1 1 19 ALA HB1 H 6.808 -5.195 -1.318 1.00 . A A . 19 ALA HB1 1 1 1 231 1 1 19 ALA HB2 H 6.327 -3.570 -1.805 1.00 . A A . 19 ALA HB2 1 1 1 232 1 1 19 ALA HB3 H 5.119 -4.701 -1.195 1.00 . A A . 19 ALA HB3 1 1 1 233 1 1 19 ALA N N 5.187 -3.068 0.665 1.00 . A A . 19 ALA N 1 1 1 234 1 1 19 ALA O O 7.563 -1.821 0.725 1.00 . A A . 19 ALA O 1 1 1 235 1 1 20 PHE C C 10.190 -2.058 1.452 1.00 . A A . 20 PHE C 1 1 1 236 1 1 20 PHE CA C 10.015 -2.677 0.062 1.00 . A A . 20 PHE CA 1 1 1 237 1 1 20 PHE CB C 9.785 -1.584 -0.983 1.00 . A A . 20 PHE CB 1 1 1 238 1 1 20 PHE CD1 C 10.234 -2.889 -3.093 1.00 . A A . 20 PHE CD1 1 1 1 239 1 1 20 PHE CD2 C 11.765 -1.114 -2.470 1.00 . A A . 20 PHE CD2 1 1 1 240 1 1 20 PHE CE1 C 11.002 -3.152 -4.234 1.00 . A A . 20 PHE CE1 1 1 1 241 1 1 20 PHE CE2 C 12.533 -1.376 -3.612 1.00 . A A . 20 PHE CE2 1 1 1 242 1 1 20 PHE CG C 10.616 -1.870 -2.211 1.00 . A A . 20 PHE CG 1 1 1 243 1 1 20 PHE CZ C 12.152 -2.395 -4.493 1.00 . A A . 20 PHE CZ 1 1 1 244 1 1 20 PHE H H 8.821 -4.445 -0.258 1.00 . A A . 20 PHE H 1 1 1 245 1 1 20 PHE HA H 10.877 -3.268 -0.203 1.00 . A A . 20 PHE HA 1 1 1 246 1 1 20 PHE HB2 H 8.740 -1.560 -1.253 1.00 . A A . 20 PHE HB2 1 1 1 247 1 1 20 PHE HB3 H 10.072 -0.627 -0.571 1.00 . A A . 20 PHE HB3 1 1 1 248 1 1 20 PHE HD1 H 9.348 -3.473 -2.892 1.00 . A A . 20 PHE HD1 1 1 1 249 1 1 20 PHE HD2 H 12.060 -0.329 -1.790 1.00 . A A . 20 PHE HD2 1 1 1 250 1 1 20 PHE HE1 H 10.708 -3.937 -4.914 1.00 . A A . 20 PHE HE1 1 1 1 251 1 1 20 PHE HE2 H 13.419 -0.793 -3.812 1.00 . A A . 20 PHE HE2 1 1 1 252 1 1 20 PHE HZ H 12.744 -2.597 -5.374 1.00 . A A . 20 PHE HZ 1 1 1 253 1 1 20 PHE N N 8.777 -3.508 0.025 1.00 . A A . 20 PHE N 1 1 1 254 1 1 20 PHE O O 10.158 -0.854 1.613 1.00 . A A . 20 PHE O 1 1 1 255 1 1 21 GLY C C 11.957 -2.604 4.336 1.00 . A A . 21 GLY C 1 1 1 256 1 1 21 GLY CA C 10.539 -2.321 3.835 1.00 . A A . 21 GLY CA 1 1 1 257 1 1 21 GLY H H 10.387 -3.839 2.312 1.00 . A A . 21 GLY H 1 1 1 258 1 1 21 GLY HA2 H 10.368 -1.253 3.818 1.00 . A A . 21 GLY HA2 1 1 1 259 1 1 21 GLY HA3 H 9.827 -2.788 4.499 1.00 . A A . 21 GLY HA3 1 1 1 260 1 1 21 GLY N N 10.369 -2.870 2.459 1.00 . A A . 21 GLY N 1 1 1 261 1 1 21 GLY O O 12.228 -2.554 5.519 1.00 . A A . 21 GLY O 1 1 1 262 1 1 22 PHE C C 15.155 -1.961 3.634 1.00 . A A . 22 PHE C 1 1 1 263 1 1 22 PHE CA C 14.267 -3.186 3.875 1.00 . A A . 22 PHE CA 1 1 1 264 1 1 22 PHE CB C 14.715 -4.359 2.997 1.00 . A A . 22 PHE CB 1 1 1 265 1 1 22 PHE CD1 C 14.015 -3.800 0.637 1.00 . A A . 22 PHE CD1 1 1 1 266 1 1 22 PHE CD2 C 16.328 -3.463 1.281 1.00 . A A . 22 PHE CD2 1 1 1 267 1 1 22 PHE CE1 C 14.307 -3.337 -0.652 1.00 . A A . 22 PHE CE1 1 1 1 268 1 1 22 PHE CE2 C 16.620 -3.000 -0.008 1.00 . A A . 22 PHE CE2 1 1 1 269 1 1 22 PHE CG C 15.027 -3.863 1.604 1.00 . A A . 22 PHE CG 1 1 1 270 1 1 22 PHE CZ C 15.610 -2.937 -0.974 1.00 . A A . 22 PHE CZ 1 1 1 271 1 1 22 PHE H H 12.627 -2.934 2.496 1.00 . A A . 22 PHE H 1 1 1 272 1 1 22 PHE HA H 14.293 -3.473 4.914 1.00 . A A . 22 PHE HA 1 1 1 273 1 1 22 PHE HB2 H 15.600 -4.809 3.423 1.00 . A A . 22 PHE HB2 1 1 1 274 1 1 22 PHE HB3 H 13.926 -5.094 2.948 1.00 . A A . 22 PHE HB3 1 1 1 275 1 1 22 PHE HD1 H 13.011 -4.109 0.885 1.00 . A A . 22 PHE HD1 1 1 1 276 1 1 22 PHE HD2 H 17.108 -3.511 2.026 1.00 . A A . 22 PHE HD2 1 1 1 277 1 1 22 PHE HE1 H 13.527 -3.289 -1.398 1.00 . A A . 22 PHE HE1 1 1 1 278 1 1 22 PHE HE2 H 17.625 -2.692 -0.256 1.00 . A A . 22 PHE HE2 1 1 1 279 1 1 22 PHE HZ H 15.835 -2.580 -1.968 1.00 . A A . 22 PHE HZ 1 1 1 280 1 1 22 PHE N N 12.865 -2.900 3.446 1.00 . A A . 22 PHE N 1 1 1 281 1 1 22 PHE O O 16.361 -2.021 3.763 1.00 . A A . 22 PHE O 1 1 1 282 1 1 23 ARG C C 14.491 1.461 2.395 1.00 . A A . 23 ARG C 1 1 1 283 1 1 23 ARG CA C 15.373 0.378 3.024 1.00 . A A . 23 ARG CA 1 1 1 284 1 1 23 ARG CB C 16.465 -0.057 2.045 1.00 . A A . 23 ARG CB 1 1 1 285 1 1 23 ARG CD C 18.884 0.333 1.557 1.00 . A A . 23 ARG CD 1 1 1 286 1 1 23 ARG CG C 17.841 0.187 2.668 1.00 . A A . 23 ARG CG 1 1 1 287 1 1 23 ARG CZ C 19.557 2.292 0.304 1.00 . A A . 23 ARG CZ 1 1 1 288 1 1 23 ARG H H 13.592 -0.828 3.180 1.00 . A A . 23 ARG H 1 1 1 289 1 1 23 ARG HA H 15.818 0.736 3.938 1.00 . A A . 23 ARG HA 1 1 1 290 1 1 23 ARG HB2 H 16.351 -1.108 1.822 1.00 . A A . 23 ARG HB2 1 1 1 291 1 1 23 ARG HB3 H 16.379 0.514 1.133 1.00 . A A . 23 ARG HB3 1 1 1 292 1 1 23 ARG HD2 H 19.804 -0.158 1.841 1.00 . A A . 23 ARG HD2 1 1 1 293 1 1 23 ARG HD3 H 18.507 -0.074 0.632 1.00 . A A . 23 ARG HD3 1 1 1 294 1 1 23 ARG HE H 18.887 2.397 2.170 1.00 . A A . 23 ARG HE 1 1 1 295 1 1 23 ARG HG2 H 17.813 1.091 3.258 1.00 . A A . 23 ARG HG2 1 1 1 296 1 1 23 ARG HG3 H 18.105 -0.648 3.299 1.00 . A A . 23 ARG HG3 1 1 1 297 1 1 23 ARG HH11 H 17.777 2.285 -0.613 1.00 . A A . 23 ARG HH11 1 1 1 298 1 1 23 ARG HH12 H 19.104 2.878 -1.555 1.00 . A A . 23 ARG HH12 1 1 1 299 1 1 23 ARG HH21 H 21.444 2.414 0.961 1.00 . A A . 23 ARG HH21 1 1 1 300 1 1 23 ARG HH22 H 21.180 2.950 -0.665 1.00 . A A . 23 ARG HH22 1 1 1 301 1 1 23 ARG N N 14.566 -0.852 3.280 1.00 . A A . 23 ARG N 1 1 1 302 1 1 23 ARG NE N 19.095 1.800 1.421 1.00 . A A . 23 ARG NE 1 1 1 303 1 1 23 ARG NH1 N 18.750 2.501 -0.699 1.00 . A A . 23 ARG NH1 1 1 1 304 1 1 23 ARG NH2 N 20.825 2.574 0.191 1.00 . A A . 23 ARG NH2 1 1 1 305 1 1 23 ARG O O 14.757 2.640 2.519 1.00 . A A . 23 ARG O 1 1 1 306 1 1 24 ASN C C 13.282 2.905 0.050 1.00 . A A . 24 ASN C 1 1 1 307 1 1 24 ASN CA C 12.532 2.057 1.082 1.00 . A A . 24 ASN CA 1 1 1 308 1 1 24 ASN CB C 12.016 2.930 2.228 1.00 . A A . 24 ASN CB 1 1 1 309 1 1 24 ASN CG C 11.286 2.053 3.247 1.00 . A A . 24 ASN CG 1 1 1 310 1 1 24 ASN H H 13.254 0.108 1.636 1.00 . A A . 24 ASN H 1 1 1 311 1 1 24 ASN HA H 11.704 1.550 0.612 1.00 . A A . 24 ASN HA 1 1 1 312 1 1 24 ASN HB2 H 12.846 3.427 2.708 1.00 . A A . 24 ASN HB2 1 1 1 313 1 1 24 ASN HB3 H 11.332 3.668 1.838 1.00 . A A . 24 ASN HB3 1 1 1 314 1 1 24 ASN HD21 H 9.589 3.078 3.125 1.00 . A A . 24 ASN HD21 1 1 1 315 1 1 24 ASN HD22 H 9.567 1.765 4.201 1.00 . A A . 24 ASN HD22 1 1 1 316 1 1 24 ASN N N 13.444 1.065 1.721 1.00 . A A . 24 ASN N 1 1 1 317 1 1 24 ASN ND2 N 10.044 2.321 3.549 1.00 . A A . 24 ASN ND2 1 1 1 318 1 1 24 ASN O O 13.678 4.022 0.317 1.00 . A A . 24 ASN O 1 1 1 319 1 1 24 ASN OD1 O 11.849 1.114 3.773 1.00 . A A . 24 ASN OD1 1 1 1 320 1 1 25 LEU C C 13.236 3.328 -3.404 1.00 . A A . 25 LEU C 1 1 1 321 1 1 25 LEU CA C 14.163 3.163 -2.197 1.00 . A A . 25 LEU CA 1 1 1 322 1 1 25 LEU CB C 15.393 2.331 -2.571 1.00 . A A . 25 LEU CB 1 1 1 323 1 1 25 LEU CD1 C 15.794 0.202 -3.815 1.00 . A A . 25 LEU CD1 1 1 1 324 1 1 25 LEU CD2 C 15.333 0.149 -1.361 1.00 . A A . 25 LEU CD2 1 1 1 325 1 1 25 LEU CG C 15.006 0.856 -2.678 1.00 . A A . 25 LEU CG 1 1 1 326 1 1 25 LEU H H 13.120 1.488 -1.330 1.00 . A A . 25 LEU H 1 1 1 327 1 1 25 LEU HA H 14.467 4.127 -1.820 1.00 . A A . 25 LEU HA 1 1 1 328 1 1 25 LEU HB2 H 15.779 2.671 -3.521 1.00 . A A . 25 LEU HB2 1 1 1 329 1 1 25 LEU HB3 H 16.152 2.448 -1.812 1.00 . A A . 25 LEU HB3 1 1 1 330 1 1 25 LEU HD11 H 15.150 0.074 -4.672 1.00 . A A . 25 LEU HD11 1 1 1 331 1 1 25 LEU HD12 H 16.160 -0.761 -3.492 1.00 . A A . 25 LEU HD12 1 1 1 332 1 1 25 LEU HD13 H 16.629 0.833 -4.082 1.00 . A A . 25 LEU HD13 1 1 1 333 1 1 25 LEU HD21 H 15.576 0.885 -0.609 1.00 . A A . 25 LEU HD21 1 1 1 334 1 1 25 LEU HD22 H 16.177 -0.509 -1.506 1.00 . A A . 25 LEU HD22 1 1 1 335 1 1 25 LEU HD23 H 14.478 -0.427 -1.039 1.00 . A A . 25 LEU HD23 1 1 1 336 1 1 25 LEU HG H 13.947 0.774 -2.880 1.00 . A A . 25 LEU HG 1 1 1 337 1 1 25 LEU N N 13.461 2.386 -1.134 1.00 . A A . 25 LEU N 1 1 1 338 1 1 25 LEU O O 13.653 3.722 -4.475 1.00 . A A . 25 LEU O 1 1 1 339 1 1 26 SER C C 9.595 2.804 -3.873 1.00 . A A . 26 SER C 1 1 1 340 1 1 26 SER CA C 11.006 3.156 -4.358 1.00 . A A . 26 SER CA 1 1 1 341 1 1 26 SER CB C 11.477 2.152 -5.409 1.00 . A A . 26 SER CB 1 1 1 342 1 1 26 SER H H 11.669 2.709 -2.357 1.00 . A A . 26 SER H 1 1 1 343 1 1 26 SER HA H 11.029 4.155 -4.763 1.00 . A A . 26 SER HA 1 1 1 344 1 1 26 SER HB2 H 12.509 1.900 -5.232 1.00 . A A . 26 SER HB2 1 1 1 345 1 1 26 SER HB3 H 10.874 1.256 -5.344 1.00 . A A . 26 SER HB3 1 1 1 346 1 1 26 SER HG H 10.578 3.299 -6.701 1.00 . A A . 26 SER HG 1 1 1 347 1 1 26 SER N N 11.977 3.025 -3.232 1.00 . A A . 26 SER N 1 1 1 348 1 1 26 SER O O 8.613 3.345 -4.341 1.00 . A A . 26 SER O 1 1 1 349 1 1 26 SER OG O 11.352 2.731 -6.703 1.00 . A A . 26 SER OG 1 1 1 350 1 1 27 LEU C C 7.255 1.015 -3.549 1.00 . A A . 27 LEU C 1 1 1 351 1 1 27 LEU CA C 8.150 1.510 -2.411 1.00 . A A . 27 LEU CA 1 1 1 352 1 1 27 LEU CB C 7.579 2.787 -1.793 1.00 . A A . 27 LEU CB 1 1 1 353 1 1 27 LEU CD1 C 7.676 1.831 0.512 1.00 . A A . 27 LEU CD1 1 1 1 354 1 1 27 LEU CD2 C 9.681 2.964 -0.456 1.00 . A A . 27 LEU CD2 1 1 1 355 1 1 27 LEU CG C 8.152 2.973 -0.387 1.00 . A A . 27 LEU CG 1 1 1 356 1 1 27 LEU H H 10.298 1.478 -2.572 1.00 . A A . 27 LEU H 1 1 1 357 1 1 27 LEU HA H 8.251 0.748 -1.653 1.00 . A A . 27 LEU HA 1 1 1 358 1 1 27 LEU HB2 H 7.845 3.635 -2.407 1.00 . A A . 27 LEU HB2 1 1 1 359 1 1 27 LEU HB3 H 6.504 2.708 -1.733 1.00 . A A . 27 LEU HB3 1 1 1 360 1 1 27 LEU HD11 H 7.110 2.235 1.339 1.00 . A A . 27 LEU HD11 1 1 1 361 1 1 27 LEU HD12 H 8.530 1.289 0.891 1.00 . A A . 27 LEU HD12 1 1 1 362 1 1 27 LEU HD13 H 7.049 1.162 -0.059 1.00 . A A . 27 LEU HD13 1 1 1 363 1 1 27 LEU HD21 H 10.022 1.988 -0.769 1.00 . A A . 27 LEU HD21 1 1 1 364 1 1 27 LEU HD22 H 10.087 3.191 0.519 1.00 . A A . 27 LEU HD22 1 1 1 365 1 1 27 LEU HD23 H 10.014 3.706 -1.167 1.00 . A A . 27 LEU HD23 1 1 1 366 1 1 27 LEU HG H 7.813 3.916 0.018 1.00 . A A . 27 LEU HG 1 1 1 367 1 1 27 LEU N N 9.492 1.901 -2.934 1.00 . A A . 27 LEU N 1 1 1 368 1 1 27 LEU O O 6.853 1.772 -4.410 1.00 . A A . 27 LEU O 1 1 1 369 1 1 28 VAL C C 5.175 -1.912 -4.088 1.00 . A A . 28 VAL C 1 1 1 370 1 1 28 VAL CA C 6.070 -0.797 -4.638 1.00 . A A . 28 VAL CA 1 1 1 371 1 1 28 VAL CB C 7.038 -1.353 -5.682 1.00 . A A . 28 VAL CB 1 1 1 372 1 1 28 VAL CG1 C 7.857 -2.489 -5.067 1.00 . A A . 28 VAL CG1 1 1 1 373 1 1 28 VAL CG2 C 6.245 -1.888 -6.876 1.00 . A A . 28 VAL CG2 1 1 1 374 1 1 28 VAL H H 7.274 -0.844 -2.851 1.00 . A A . 28 VAL H 1 1 1 375 1 1 28 VAL HA H 5.471 -0.012 -5.072 1.00 . A A . 28 VAL HA 1 1 1 376 1 1 28 VAL HB H 7.702 -0.567 -6.011 1.00 . A A . 28 VAL HB 1 1 1 377 1 1 28 VAL HG11 H 7.476 -3.438 -5.416 1.00 . A A . 28 VAL HG11 1 1 1 378 1 1 28 VAL HG12 H 7.781 -2.445 -3.991 1.00 . A A . 28 VAL HG12 1 1 1 379 1 1 28 VAL HG13 H 8.891 -2.386 -5.360 1.00 . A A . 28 VAL HG13 1 1 1 380 1 1 28 VAL HG21 H 5.372 -1.272 -7.035 1.00 . A A . 28 VAL HG21 1 1 1 381 1 1 28 VAL HG22 H 5.936 -2.904 -6.677 1.00 . A A . 28 VAL HG22 1 1 1 382 1 1 28 VAL HG23 H 6.866 -1.868 -7.759 1.00 . A A . 28 VAL HG23 1 1 1 383 1 1 28 VAL N N 6.940 -0.252 -3.557 1.00 . A A . 28 VAL N 1 1 1 384 1 1 28 VAL O O 5.632 -2.994 -3.778 1.00 . A A . 28 VAL O 1 1 1 385 1 1 29 TRP C C 1.555 -2.450 -3.976 1.00 . A A . 29 TRP C 1 1 1 386 1 1 29 TRP CA C 2.969 -2.698 -3.440 1.00 . A A . 29 TRP CA 1 1 1 387 1 1 29 TRP CB C 3.002 -2.573 -1.906 1.00 . A A . 29 TRP CB 1 1 1 388 1 1 29 TRP CD1 C 4.590 -0.642 -1.529 1.00 . A A . 29 TRP CD1 1 1 1 389 1 1 29 TRP CD2 C 2.466 -0.129 -0.991 1.00 . A A . 29 TRP CD2 1 1 1 390 1 1 29 TRP CE2 C 3.241 1.027 -0.736 1.00 . A A . 29 TRP CE2 1 1 1 391 1 1 29 TRP CE3 C 1.084 -0.072 -0.734 1.00 . A A . 29 TRP CE3 1 1 1 392 1 1 29 TRP CG C 3.347 -1.175 -1.495 1.00 . A A . 29 TRP CG 1 1 1 393 1 1 29 TRP CH2 C 1.292 2.239 0.007 1.00 . A A . 29 TRP CH2 1 1 1 394 1 1 29 TRP CZ2 C 2.666 2.198 -0.243 1.00 . A A . 29 TRP CZ2 1 1 1 395 1 1 29 TRP CZ3 C 0.502 1.105 -0.237 1.00 . A A . 29 TRP CZ3 1 1 1 396 1 1 29 TRP H H 3.554 -0.775 -4.225 1.00 . A A . 29 TRP H 1 1 1 397 1 1 29 TRP HA H 3.309 -3.679 -3.734 1.00 . A A . 29 TRP HA 1 1 1 398 1 1 29 TRP HB2 H 2.033 -2.830 -1.506 1.00 . A A . 29 TRP HB2 1 1 1 399 1 1 29 TRP HB3 H 3.741 -3.254 -1.509 1.00 . A A . 29 TRP HB3 1 1 1 400 1 1 29 TRP HD1 H 5.483 -1.153 -1.854 1.00 . A A . 29 TRP HD1 1 1 1 401 1 1 29 TRP HE1 H 5.293 1.273 -1.006 1.00 . A A . 29 TRP HE1 1 1 1 402 1 1 29 TRP HE3 H 0.468 -0.939 -0.918 1.00 . A A . 29 TRP HE3 1 1 1 403 1 1 29 TRP HH2 H 0.839 3.142 0.388 1.00 . A A . 29 TRP HH2 1 1 1 404 1 1 29 TRP HZ2 H 3.279 3.068 -0.057 1.00 . A A . 29 TRP HZ2 1 1 1 405 1 1 29 TRP HZ3 H -0.560 1.138 -0.043 1.00 . A A . 29 TRP HZ3 1 1 1 406 1 1 29 TRP N N 3.901 -1.655 -3.967 1.00 . A A . 29 TRP N 1 1 1 407 1 1 29 TRP NE1 N 4.529 0.664 -1.079 1.00 . A A . 29 TRP NE1 1 1 1 408 1 1 29 TRP O O 1.370 -1.755 -4.955 1.00 . A A . 29 TRP O 1 1 1 409 1 1 30 GLY C C -1.839 -3.027 -2.713 1.00 . A A . 30 GLY C 1 1 1 410 1 1 30 GLY CA C -0.837 -2.799 -3.847 1.00 . A A . 30 GLY CA 1 1 1 411 1 1 30 GLY H H 0.717 -3.575 -2.566 1.00 . A A . 30 GLY H 1 1 1 412 1 1 30 GLY HA2 H -0.934 -1.788 -4.215 1.00 . A A . 30 GLY HA2 1 1 1 413 1 1 30 GLY HA3 H -1.043 -3.494 -4.648 1.00 . A A . 30 GLY HA3 1 1 1 414 1 1 30 GLY N N 0.554 -3.013 -3.352 1.00 . A A . 30 GLY N 1 1 1 415 1 1 30 GLY O O -1.471 -3.187 -1.566 1.00 . A A . 30 GLY O 1 1 1 416 1 1 31 CYS C C -4.602 -4.719 -1.982 1.00 . A A . 31 CYS C 1 1 1 417 1 1 31 CYS CA C -4.142 -3.257 -1.979 1.00 . A A . 31 CYS CA 1 1 1 418 1 1 31 CYS CB C -5.298 -2.333 -2.370 1.00 . A A . 31 CYS CB 1 1 1 419 1 1 31 CYS H H -3.378 -2.910 -3.962 1.00 . A A . 31 CYS H 1 1 1 420 1 1 31 CYS HA H -3.760 -2.981 -1.010 1.00 . A A . 31 CYS HA 1 1 1 421 1 1 31 CYS HB2 H -4.942 -1.588 -3.067 1.00 . A A . 31 CYS HB2 1 1 1 422 1 1 31 CYS HB3 H -6.082 -2.913 -2.833 1.00 . A A . 31 CYS HB3 1 1 1 423 1 1 31 CYS N N -3.107 -3.042 -3.030 1.00 . A A . 31 CYS N 1 1 1 424 1 1 31 CYS O O -4.716 -5.339 -3.021 1.00 . A A . 31 CYS O 1 1 1 425 1 1 31 CYS SG S -5.949 -1.513 -0.892 1.00 . A A . 31 CYS SG 1 1 1 426 1 1 32 SER C C -6.793 -6.756 -0.325 1.00 . A A . 32 SER C 1 1 1 427 1 1 32 SER CA C -5.332 -6.693 -0.777 1.00 . A A . 32 SER CA 1 1 1 428 1 1 32 SER CB C -4.424 -7.371 0.250 1.00 . A A . 32 SER CB 1 1 1 429 1 1 32 SER H H -4.779 -4.757 -0.003 1.00 . A A . 32 SER H 1 1 1 430 1 1 32 SER HA H -5.214 -7.164 -1.740 1.00 . A A . 32 SER HA 1 1 1 431 1 1 32 SER HB2 H -3.529 -6.788 0.383 1.00 . A A . 32 SER HB2 1 1 1 432 1 1 32 SER HB3 H -4.946 -7.446 1.195 1.00 . A A . 32 SER HB3 1 1 1 433 1 1 32 SER HG H -4.211 -9.290 0.503 1.00 . A A . 32 SER HG 1 1 1 434 1 1 32 SER N N -4.873 -5.274 -0.831 1.00 . A A . 32 SER N 1 1 1 435 1 1 32 SER O O -7.200 -6.035 0.563 1.00 . A A . 32 SER O 1 1 1 436 1 1 32 SER OG O -4.073 -8.668 -0.216 1.00 . A A . 32 SER OG 1 1 1 437 1 1 33 PRO C C -9.134 -8.523 0.709 1.00 . A A . 33 PRO C 1 1 1 438 1 1 33 PRO CA C -8.972 -7.786 -0.625 1.00 . A A . 33 PRO CA 1 1 1 439 1 1 33 PRO CB C -9.514 -8.624 -1.779 1.00 . A A . 33 PRO CB 1 1 1 440 1 1 33 PRO CD C -7.112 -8.520 -2.039 1.00 . A A . 33 PRO CD 1 1 1 441 1 1 33 PRO CG C -8.330 -9.367 -2.311 1.00 . A A . 33 PRO CG 1 1 1 442 1 1 33 PRO HA H -9.468 -6.829 -0.597 1.00 . A A . 33 PRO HA 1 1 1 443 1 1 33 PRO HB2 H -10.265 -9.314 -1.419 1.00 . A A . 33 PRO HB2 1 1 1 444 1 1 33 PRO HB3 H -9.925 -7.986 -2.546 1.00 . A A . 33 PRO HB3 1 1 1 445 1 1 33 PRO HD2 H -6.286 -9.140 -1.719 1.00 . A A . 33 PRO HD2 1 1 1 446 1 1 33 PRO HD3 H -6.844 -7.949 -2.914 1.00 . A A . 33 PRO HD3 1 1 1 447 1 1 33 PRO HG2 H -8.239 -10.320 -1.809 1.00 . A A . 33 PRO HG2 1 1 1 448 1 1 33 PRO HG3 H -8.437 -9.518 -3.374 1.00 . A A . 33 PRO HG3 1 1 1 449 1 1 33 PRO N N -7.536 -7.622 -0.960 1.00 . A A . 33 PRO N 1 1 1 450 1 1 33 PRO O O -8.706 -9.650 0.863 1.00 . A A . 33 PRO O 1 1 1 451 1 1 34 VAL C C -10.837 -9.790 2.850 1.00 . A A . 34 VAL C 1 1 1 452 1 1 34 VAL CA C -9.941 -8.557 2.996 1.00 . A A . 34 VAL CA 1 1 1 453 1 1 34 VAL CB C -10.622 -7.503 3.870 1.00 . A A . 34 VAL CB 1 1 1 454 1 1 34 VAL CG1 C -12.049 -7.268 3.367 1.00 . A A . 34 VAL CG1 1 1 1 455 1 1 34 VAL CG2 C -10.669 -7.996 5.318 1.00 . A A . 34 VAL CG2 1 1 1 456 1 1 34 VAL H H -10.088 -6.986 1.527 1.00 . A A . 34 VAL H 1 1 1 457 1 1 34 VAL HA H -8.989 -8.829 3.423 1.00 . A A . 34 VAL HA 1 1 1 458 1 1 34 VAL HB H -10.066 -6.579 3.819 1.00 . A A . 34 VAL HB 1 1 1 459 1 1 34 VAL HG11 H -12.701 -8.030 3.767 1.00 . A A . 34 VAL HG11 1 1 1 460 1 1 34 VAL HG12 H -12.063 -7.312 2.289 1.00 . A A . 34 VAL HG12 1 1 1 461 1 1 34 VAL HG13 H -12.389 -6.296 3.692 1.00 . A A . 34 VAL HG13 1 1 1 462 1 1 34 VAL HG21 H -10.319 -7.215 5.975 1.00 . A A . 34 VAL HG21 1 1 1 463 1 1 34 VAL HG22 H -10.037 -8.866 5.422 1.00 . A A . 34 VAL HG22 1 1 1 464 1 1 34 VAL HG23 H -11.685 -8.256 5.577 1.00 . A A . 34 VAL HG23 1 1 1 465 1 1 34 VAL N N -9.750 -7.894 1.673 1.00 . A A . 34 VAL N 1 1 1 466 1 1 34 VAL O O -10.784 -10.706 3.647 1.00 . A A . 34 VAL O 1 1 1 467 1 1 35 GLU C C -12.988 -11.097 0.178 1.00 . A A . 35 GLU C 1 1 1 468 1 1 35 GLU CA C -12.562 -10.995 1.645 1.00 . A A . 35 GLU CA 1 1 1 469 1 1 35 GLU CB C -13.774 -10.713 2.535 1.00 . A A . 35 GLU CB 1 1 1 470 1 1 35 GLU CD C -13.566 -11.880 4.737 1.00 . A A . 35 GLU CD 1 1 1 471 1 1 35 GLU CG C -14.139 -11.975 3.321 1.00 . A A . 35 GLU CG 1 1 1 472 1 1 35 GLU H H -11.690 -9.072 1.207 1.00 . A A . 35 GLU H 1 1 1 473 1 1 35 GLU HA H -12.074 -11.902 1.962 1.00 . A A . 35 GLU HA 1 1 1 474 1 1 35 GLU HB2 H -13.536 -9.915 3.223 1.00 . A A . 35 GLU HB2 1 1 1 475 1 1 35 GLU HB3 H -14.612 -10.421 1.920 1.00 . A A . 35 GLU HB3 1 1 1 476 1 1 35 GLU HG2 H -15.214 -12.068 3.373 1.00 . A A . 35 GLU HG2 1 1 1 477 1 1 35 GLU HG3 H -13.726 -12.841 2.825 1.00 . A A . 35 GLU HG3 1 1 1 478 1 1 35 GLU N N -11.662 -9.821 1.839 1.00 . A A . 35 GLU N 1 1 1 479 1 1 35 GLU O O -12.127 -11.334 -0.654 1.00 . A A . 35 GLU O 1 1 1 480 1 1 35 GLU OXT O -14.167 -10.937 -0.089 1.00 . A A . 35 GLU OXT 1 1 1 481 1 1 35 GLU OE1 O -14.143 -11.167 5.542 1.00 . A A . 35 GLU OE1 1 1 1 482 1 1 35 GLU OE2 O -12.561 -12.522 4.992 1.00 . A A . 35 GLU OE2 1 1 2 483 1 1 1 ASP C C -10.221 6.220 1.908 1.00 . A A . 1 ASP C 1 1 2 484 1 1 1 ASP CA C -11.054 5.958 0.651 1.00 . A A . 1 ASP CA 1 1 2 485 1 1 1 ASP CB C -10.973 7.151 -0.301 1.00 . A A . 1 ASP CB 1 1 2 486 1 1 1 ASP CG C -11.321 8.434 0.457 1.00 . A A . 1 ASP CG 1 1 2 487 1 1 1 ASP H1 H -12.592 5.453 1.962 1.00 . A A . 1 ASP H1 1 1 2 488 1 1 1 ASP H2 H -12.971 5.211 0.324 1.00 . A A . 1 ASP H2 1 1 2 489 1 1 1 ASP H3 H -12.940 6.783 0.969 1.00 . A A . 1 ASP H3 1 1 2 490 1 1 1 ASP HA H -10.716 5.065 0.151 1.00 . A A . 1 ASP HA 1 1 2 491 1 1 1 ASP HB2 H -9.970 7.227 -0.697 1.00 . A A . 1 ASP HB2 1 1 2 492 1 1 1 ASP HB3 H -11.671 7.014 -1.112 1.00 . A A . 1 ASP HB3 1 1 2 493 1 1 1 ASP N N -12.499 5.843 1.003 1.00 . A A . 1 ASP N 1 1 2 494 1 1 1 ASP O O -10.612 6.973 2.777 1.00 . A A . 1 ASP O 1 1 2 495 1 1 1 ASP OD1 O -12.354 8.452 1.105 1.00 . A A . 1 ASP OD1 1 1 2 496 1 1 1 ASP OD2 O -10.549 9.375 0.377 1.00 . A A . 1 ASP OD2 1 1 2 497 1 1 2 HIS C C -6.849 6.363 2.789 1.00 . A A . 2 HIS C 1 1 2 498 1 1 2 HIS CA C -8.219 5.822 3.208 1.00 . A A . 2 HIS CA 1 1 2 499 1 1 2 HIS CB C -8.077 4.444 3.853 1.00 . A A . 2 HIS CB 1 1 2 500 1 1 2 HIS CD2 C -10.446 4.034 4.913 1.00 . A A . 2 HIS CD2 1 1 2 501 1 1 2 HIS CE1 C -9.894 4.217 7.000 1.00 . A A . 2 HIS CE1 1 1 2 502 1 1 2 HIS CG C -9.099 4.294 4.947 1.00 . A A . 2 HIS CG 1 1 2 503 1 1 2 HIS H H -8.777 5.003 1.294 1.00 . A A . 2 HIS H 1 1 2 504 1 1 2 HIS HA H -8.699 6.502 3.894 1.00 . A A . 2 HIS HA 1 1 2 505 1 1 2 HIS HB2 H -8.233 3.679 3.106 1.00 . A A . 2 HIS HB2 1 1 2 506 1 1 2 HIS HB3 H -7.086 4.342 4.271 1.00 . A A . 2 HIS HB3 1 1 2 507 1 1 2 HIS HD1 H -7.877 4.594 6.652 1.00 . A A . 2 HIS HD1 1 1 2 508 1 1 2 HIS HD2 H -11.030 3.890 4.016 1.00 . A A . 2 HIS HD2 1 1 2 509 1 1 2 HIS HE1 H -9.941 4.244 8.079 1.00 . A A . 2 HIS HE1 1 1 2 510 1 1 2 HIS N N -9.075 5.605 2.008 1.00 . A A . 2 HIS N 1 1 2 511 1 1 2 HIS ND1 N -8.768 4.406 6.289 1.00 . A A . 2 HIS ND1 1 1 2 512 1 1 2 HIS NE2 N -10.947 3.986 6.210 1.00 . A A . 2 HIS NE2 1 1 2 513 1 1 2 HIS O O -6.047 6.749 3.616 1.00 . A A . 2 HIS O 1 1 2 514 1 1 3 VAL C C -4.120 6.108 1.682 1.00 . A A . 3 VAL C 1 1 2 515 1 1 3 VAL CA C -5.259 6.908 1.040 1.00 . A A . 3 VAL CA 1 1 2 516 1 1 3 VAL CB C -5.224 8.370 1.487 1.00 . A A . 3 VAL CB 1 1 2 517 1 1 3 VAL CG1 C -3.780 8.877 1.488 1.00 . A A . 3 VAL CG1 1 1 2 518 1 1 3 VAL CG2 C -6.057 9.212 0.518 1.00 . A A . 3 VAL CG2 1 1 2 519 1 1 3 VAL H H -7.239 6.075 0.862 1.00 . A A . 3 VAL H 1 1 2 520 1 1 3 VAL HA H -5.195 6.853 -0.035 1.00 . A A . 3 VAL HA 1 1 2 521 1 1 3 VAL HB H -5.634 8.453 2.483 1.00 . A A . 3 VAL HB 1 1 2 522 1 1 3 VAL HG11 H -3.182 8.257 0.836 1.00 . A A . 3 VAL HG11 1 1 2 523 1 1 3 VAL HG12 H -3.384 8.831 2.492 1.00 . A A . 3 VAL HG12 1 1 2 524 1 1 3 VAL HG13 H -3.757 9.897 1.136 1.00 . A A . 3 VAL HG13 1 1 2 525 1 1 3 VAL HG21 H -7.040 9.373 0.933 1.00 . A A . 3 VAL HG21 1 1 2 526 1 1 3 VAL HG22 H -6.145 8.692 -0.425 1.00 . A A . 3 VAL HG22 1 1 2 527 1 1 3 VAL HG23 H -5.572 10.164 0.360 1.00 . A A . 3 VAL HG23 1 1 2 528 1 1 3 VAL N N -6.576 6.392 1.512 1.00 . A A . 3 VAL N 1 1 2 529 1 1 3 VAL O O -3.942 6.116 2.883 1.00 . A A . 3 VAL O 1 1 2 530 1 1 4 CYS C C -0.880 5.189 1.022 1.00 . A A . 4 CYS C 1 1 2 531 1 1 4 CYS CA C -2.231 4.611 1.459 1.00 . A A . 4 CYS CA 1 1 2 532 1 1 4 CYS CB C -2.429 3.203 0.895 1.00 . A A . 4 CYS CB 1 1 2 533 1 1 4 CYS H H -3.510 5.416 -0.077 1.00 . A A . 4 CYS H 1 1 2 534 1 1 4 CYS HA H -2.296 4.587 2.535 1.00 . A A . 4 CYS HA 1 1 2 535 1 1 4 CYS HB2 H -3.013 3.259 -0.012 1.00 . A A . 4 CYS HB2 1 1 2 536 1 1 4 CYS HB3 H -1.468 2.762 0.678 1.00 . A A . 4 CYS HB3 1 1 2 537 1 1 4 CYS N N -3.350 5.414 0.890 1.00 . A A . 4 CYS N 1 1 2 538 1 1 4 CYS O O -0.434 4.985 -0.089 1.00 . A A . 4 CYS O 1 1 2 539 1 1 4 CYS SG S -3.300 2.187 2.114 1.00 . A A . 4 CYS SG 1 1 2 540 1 1 5 ASP C C 1.046 7.152 0.161 1.00 . A A . 5 ASP C 1 1 2 541 1 1 5 ASP CA C 1.097 6.501 1.547 1.00 . A A . 5 ASP CA 1 1 2 542 1 1 5 ASP CB C 2.070 5.323 1.552 1.00 . A A . 5 ASP CB 1 1 2 543 1 1 5 ASP CG C 3.486 5.833 1.821 1.00 . A A . 5 ASP CG 1 1 2 544 1 1 5 ASP H H -0.608 6.056 2.788 1.00 . A A . 5 ASP H 1 1 2 545 1 1 5 ASP HA H 1.391 7.223 2.291 1.00 . A A . 5 ASP HA 1 1 2 546 1 1 5 ASP HB2 H 1.784 4.624 2.325 1.00 . A A . 5 ASP HB2 1 1 2 547 1 1 5 ASP HB3 H 2.044 4.829 0.592 1.00 . A A . 5 ASP HB3 1 1 2 548 1 1 5 ASP N N -0.228 5.908 1.897 1.00 . A A . 5 ASP N 1 1 2 549 1 1 5 ASP O O 1.904 6.930 -0.671 1.00 . A A . 5 ASP O 1 1 2 550 1 1 5 ASP OD1 O 4.037 6.484 0.949 1.00 . A A . 5 ASP OD1 1 1 2 551 1 1 5 ASP OD2 O 3.997 5.564 2.897 1.00 . A A . 5 ASP OD2 1 1 2 552 1 1 6 ASP C C 0.040 7.592 -2.543 1.00 . A A . 6 ASP C 1 1 2 553 1 1 6 ASP CA C -0.046 8.629 -1.420 1.00 . A A . 6 ASP CA 1 1 2 554 1 1 6 ASP CB C 1.148 9.581 -1.474 1.00 . A A . 6 ASP CB 1 1 2 555 1 1 6 ASP CG C 0.654 11.007 -1.720 1.00 . A A . 6 ASP CG 1 1 2 556 1 1 6 ASP H H -0.627 8.129 0.595 1.00 . A A . 6 ASP H 1 1 2 557 1 1 6 ASP HA H -0.966 9.187 -1.492 1.00 . A A . 6 ASP HA 1 1 2 558 1 1 6 ASP HB2 H 1.682 9.541 -0.535 1.00 . A A . 6 ASP HB2 1 1 2 559 1 1 6 ASP HB3 H 1.808 9.286 -2.276 1.00 . A A . 6 ASP HB3 1 1 2 560 1 1 6 ASP N N 0.053 7.960 -0.091 1.00 . A A . 6 ASP N 1 1 2 561 1 1 6 ASP O O 0.155 6.407 -2.298 1.00 . A A . 6 ASP O 1 1 2 562 1 1 6 ASP OD1 O 0.127 11.253 -2.793 1.00 . A A . 6 ASP OD1 1 1 2 563 1 1 6 ASP OD2 O 0.808 11.828 -0.832 1.00 . A A . 6 ASP OD2 1 1 2 564 1 1 7 ASN C C -0.803 5.837 -4.611 1.00 . A A . 7 ASN C 1 1 2 565 1 1 7 ASN CA C 0.050 7.069 -4.911 1.00 . A A . 7 ASN CA 1 1 2 566 1 1 7 ASN CB C 1.525 6.682 -5.023 1.00 . A A . 7 ASN CB 1 1 2 567 1 1 7 ASN CG C 1.736 5.854 -6.292 1.00 . A A . 7 ASN CG 1 1 2 568 1 1 7 ASN H H -0.118 8.988 -3.945 1.00 . A A . 7 ASN H 1 1 2 569 1 1 7 ASN HA H -0.276 7.542 -5.824 1.00 . A A . 7 ASN HA 1 1 2 570 1 1 7 ASN HB2 H 2.130 7.576 -5.069 1.00 . A A . 7 ASN HB2 1 1 2 571 1 1 7 ASN HB3 H 1.808 6.097 -4.162 1.00 . A A . 7 ASN HB3 1 1 2 572 1 1 7 ASN HD21 H 2.063 4.165 -5.301 1.00 . A A . 7 ASN HD21 1 1 2 573 1 1 7 ASN HD22 H 2.137 4.041 -6.992 1.00 . A A . 7 ASN HD22 1 1 2 574 1 1 7 ASN N N -0.020 8.029 -3.772 1.00 . A A . 7 ASN N 1 1 2 575 1 1 7 ASN ND2 N 2.000 4.581 -6.187 1.00 . A A . 7 ASN ND2 1 1 2 576 1 1 7 ASN O O -0.546 4.755 -5.105 1.00 . A A . 7 ASN O 1 1 2 577 1 1 7 ASN OD1 O 1.657 6.371 -7.389 1.00 . A A . 7 ASN OD1 1 1 2 578 1 1 8 PHE C C -3.902 5.280 -2.678 1.00 . A A . 8 PHE C 1 1 2 579 1 1 8 PHE CA C -2.678 4.822 -3.470 1.00 . A A . 8 PHE CA 1 1 2 580 1 1 8 PHE CB C -1.801 3.915 -2.608 1.00 . A A . 8 PHE CB 1 1 2 581 1 1 8 PHE CD1 C -2.141 2.114 -4.338 1.00 . A A . 8 PHE CD1 1 1 2 582 1 1 8 PHE CD2 C 0.038 2.342 -3.299 1.00 . A A . 8 PHE CD2 1 1 2 583 1 1 8 PHE CE1 C -1.664 1.042 -5.104 1.00 . A A . 8 PHE CE1 1 1 2 584 1 1 8 PHE CE2 C 0.515 1.271 -4.063 1.00 . A A . 8 PHE CE2 1 1 2 585 1 1 8 PHE CG C -1.289 2.763 -3.436 1.00 . A A . 8 PHE CG 1 1 2 586 1 1 8 PHE CZ C -0.336 0.621 -4.966 1.00 . A A . 8 PHE CZ 1 1 2 587 1 1 8 PHE H H -2.004 6.867 -3.413 1.00 . A A . 8 PHE H 1 1 2 588 1 1 8 PHE HA H -2.977 4.304 -4.366 1.00 . A A . 8 PHE HA 1 1 2 589 1 1 8 PHE HB2 H -0.965 4.483 -2.224 1.00 . A A . 8 PHE HB2 1 1 2 590 1 1 8 PHE HB3 H -2.383 3.533 -1.782 1.00 . A A . 8 PHE HB3 1 1 2 591 1 1 8 PHE HD1 H -3.165 2.440 -4.444 1.00 . A A . 8 PHE HD1 1 1 2 592 1 1 8 PHE HD2 H 0.694 2.844 -2.604 1.00 . A A . 8 PHE HD2 1 1 2 593 1 1 8 PHE HE1 H -2.321 0.542 -5.800 1.00 . A A . 8 PHE HE1 1 1 2 594 1 1 8 PHE HE2 H 1.538 0.946 -3.957 1.00 . A A . 8 PHE HE2 1 1 2 595 1 1 8 PHE HZ H 0.032 -0.206 -5.555 1.00 . A A . 8 PHE HZ 1 1 2 596 1 1 8 PHE N N -1.814 5.988 -3.803 1.00 . A A . 8 PHE N 1 1 2 597 1 1 8 PHE O O -3.906 6.334 -2.073 1.00 . A A . 8 PHE O 1 1 2 598 1 1 9 SER C C -6.656 3.674 -1.094 1.00 . A A . 9 SER C 1 1 2 599 1 1 9 SER CA C -6.158 4.871 -1.906 1.00 . A A . 9 SER CA 1 1 2 600 1 1 9 SER CB C -7.185 5.271 -2.964 1.00 . A A . 9 SER CB 1 1 2 601 1 1 9 SER H H -4.910 3.640 -3.156 1.00 . A A . 9 SER H 1 1 2 602 1 1 9 SER HA H -5.951 5.707 -1.258 1.00 . A A . 9 SER HA 1 1 2 603 1 1 9 SER HB2 H -8.124 5.499 -2.488 1.00 . A A . 9 SER HB2 1 1 2 604 1 1 9 SER HB3 H -6.832 6.145 -3.494 1.00 . A A . 9 SER HB3 1 1 2 605 1 1 9 SER HG H -6.899 4.402 -4.681 1.00 . A A . 9 SER HG 1 1 2 606 1 1 9 SER N N -4.937 4.490 -2.668 1.00 . A A . 9 SER N 1 1 2 607 1 1 9 SER O O -6.328 3.520 0.066 1.00 . A A . 9 SER O 1 1 2 608 1 1 9 SER OG O -7.371 4.193 -3.872 1.00 . A A . 9 SER OG 1 1 2 609 1 1 10 CYS C C -8.722 2.053 0.279 1.00 . A A . 10 CYS C 1 1 2 610 1 1 10 CYS CA C -7.958 1.627 -0.979 1.00 . A A . 10 CYS CA 1 1 2 611 1 1 10 CYS CB C -6.716 0.816 -0.606 1.00 . A A . 10 CYS CB 1 1 2 612 1 1 10 CYS H H -7.678 2.973 -2.639 1.00 . A A . 10 CYS H 1 1 2 613 1 1 10 CYS HA H -8.593 1.046 -1.626 1.00 . A A . 10 CYS HA 1 1 2 614 1 1 10 CYS HB2 H -6.009 1.452 -0.094 1.00 . A A . 10 CYS HB2 1 1 2 615 1 1 10 CYS HB3 H -7.000 0.000 0.041 1.00 . A A . 10 CYS HB3 1 1 2 616 1 1 10 CYS N N -7.437 2.825 -1.702 1.00 . A A . 10 CYS N 1 1 2 617 1 1 10 CYS O O -8.159 2.647 1.176 1.00 . A A . 10 CYS O 1 1 2 618 1 1 10 CYS SG S -5.955 0.158 -2.111 1.00 . A A . 10 CYS SG 1 1 2 619 1 1 11 PRO C C -10.475 1.198 2.665 1.00 . A A . 11 PRO C 1 1 2 620 1 1 11 PRO CA C -10.831 2.082 1.469 1.00 . A A . 11 PRO CA 1 1 2 621 1 1 11 PRO CB C -12.249 1.800 0.983 1.00 . A A . 11 PRO CB 1 1 2 622 1 1 11 PRO CD C -10.740 1.010 -0.729 1.00 . A A . 11 PRO CD 1 1 2 623 1 1 11 PRO CG C -12.093 0.784 -0.103 1.00 . A A . 11 PRO CG 1 1 2 624 1 1 11 PRO HA H -10.723 3.124 1.718 1.00 . A A . 11 PRO HA 1 1 2 625 1 1 11 PRO HB2 H -12.850 1.402 1.790 1.00 . A A . 11 PRO HB2 1 1 2 626 1 1 11 PRO HB3 H -12.697 2.698 0.586 1.00 . A A . 11 PRO HB3 1 1 2 627 1 1 11 PRO HD2 H -10.268 0.065 -0.959 1.00 . A A . 11 PRO HD2 1 1 2 628 1 1 11 PRO HD3 H -10.828 1.618 -1.616 1.00 . A A . 11 PRO HD3 1 1 2 629 1 1 11 PRO HG2 H -12.147 -0.213 0.314 1.00 . A A . 11 PRO HG2 1 1 2 630 1 1 11 PRO HG3 H -12.863 0.917 -0.848 1.00 . A A . 11 PRO HG3 1 1 2 631 1 1 11 PRO N N -9.986 1.728 0.305 1.00 . A A . 11 PRO N 1 1 2 632 1 1 11 PRO O O -9.412 0.612 2.721 1.00 . A A . 11 PRO O 1 1 2 633 1 1 12 ALA C C -11.045 -1.227 4.415 1.00 . A A . 12 ALA C 1 1 2 634 1 1 12 ALA CA C -11.058 0.251 4.813 1.00 . A A . 12 ALA CA 1 1 2 635 1 1 12 ALA CB C -12.195 0.535 5.794 1.00 . A A . 12 ALA CB 1 1 2 636 1 1 12 ALA H H -12.204 1.578 3.560 1.00 . A A . 12 ALA H 1 1 2 637 1 1 12 ALA HA H -10.114 0.533 5.251 1.00 . A A . 12 ALA HA 1 1 2 638 1 1 12 ALA HB1 H -12.819 1.325 5.405 1.00 . A A . 12 ALA HB1 1 1 2 639 1 1 12 ALA HB2 H -11.783 0.837 6.745 1.00 . A A . 12 ALA HB2 1 1 2 640 1 1 12 ALA HB3 H -12.788 -0.359 5.927 1.00 . A A . 12 ALA HB3 1 1 2 641 1 1 12 ALA N N -11.353 1.098 3.623 1.00 . A A . 12 ALA N 1 1 2 642 1 1 12 ALA O O -10.418 -2.046 5.057 1.00 . A A . 12 ALA O 1 1 2 643 1 1 13 GLY C C -10.380 -3.400 2.398 1.00 . A A . 13 GLY C 1 1 2 644 1 1 13 GLY CA C -11.758 -2.995 2.923 1.00 . A A . 13 GLY CA 1 1 2 645 1 1 13 GLY H H -12.230 -0.895 2.858 1.00 . A A . 13 GLY H 1 1 2 646 1 1 13 GLY HA2 H -12.024 -3.623 3.761 1.00 . A A . 13 GLY HA2 1 1 2 647 1 1 13 GLY HA3 H -12.488 -3.117 2.136 1.00 . A A . 13 GLY HA3 1 1 2 648 1 1 13 GLY N N -11.731 -1.571 3.361 1.00 . A A . 13 GLY N 1 1 2 649 1 1 13 GLY O O -9.677 -4.174 3.013 1.00 . A A . 13 GLY O 1 1 2 650 1 1 14 SER C C -7.601 -3.313 1.802 1.00 . A A . 14 SER C 1 1 2 651 1 1 14 SER CA C -8.655 -3.243 0.693 1.00 . A A . 14 SER CA 1 1 2 652 1 1 14 SER CB C -8.326 -2.123 -0.293 1.00 . A A . 14 SER CB 1 1 2 653 1 1 14 SER H H -10.574 -2.261 0.782 1.00 . A A . 14 SER H 1 1 2 654 1 1 14 SER HA H -8.713 -4.186 0.172 1.00 . A A . 14 SER HA 1 1 2 655 1 1 14 SER HB2 H -8.953 -1.269 -0.094 1.00 . A A . 14 SER HB2 1 1 2 656 1 1 14 SER HB3 H -7.288 -1.840 -0.181 1.00 . A A . 14 SER HB3 1 1 2 657 1 1 14 SER HG H -8.178 -1.945 -2.225 1.00 . A A . 14 SER HG 1 1 2 658 1 1 14 SER N N -9.989 -2.884 1.262 1.00 . A A . 14 SER N 1 1 2 659 1 1 14 SER O O -7.791 -2.801 2.887 1.00 . A A . 14 SER O 1 1 2 660 1 1 14 SER OG O -8.566 -2.579 -1.619 1.00 . A A . 14 SER OG 1 1 2 661 1 1 15 THR C C -4.098 -3.538 2.056 1.00 . A A . 15 THR C 1 1 2 662 1 1 15 THR CA C -5.435 -4.065 2.584 1.00 . A A . 15 THR CA 1 1 2 663 1 1 15 THR CB C -5.337 -5.563 2.876 1.00 . A A . 15 THR CB 1 1 2 664 1 1 15 THR CG2 C -4.769 -6.282 1.654 1.00 . A A . 15 THR CG2 1 1 2 665 1 1 15 THR H H -6.361 -4.366 0.661 1.00 . A A . 15 THR H 1 1 2 666 1 1 15 THR HA H -5.726 -3.535 3.477 1.00 . A A . 15 THR HA 1 1 2 667 1 1 15 THR HB H -6.320 -5.953 3.094 1.00 . A A . 15 THR HB 1 1 2 668 1 1 15 THR HG1 H -4.835 -6.510 4.500 1.00 . A A . 15 THR HG1 1 1 2 669 1 1 15 THR HG21 H -5.078 -7.318 1.670 1.00 . A A . 15 THR HG21 1 1 2 670 1 1 15 THR HG22 H -3.691 -6.228 1.673 1.00 . A A . 15 THR HG22 1 1 2 671 1 1 15 THR HG23 H -5.138 -5.811 0.754 1.00 . A A . 15 THR HG23 1 1 2 672 1 1 15 THR N N -6.494 -3.953 1.541 1.00 . A A . 15 THR N 1 1 2 673 1 1 15 THR O O -3.613 -3.966 1.028 1.00 . A A . 15 THR O 1 1 2 674 1 1 15 THR OG1 O -4.485 -5.773 3.993 1.00 . A A . 15 THR OG1 1 1 2 675 1 1 16 CYS C C -1.046 -2.780 3.052 1.00 . A A . 16 CYS C 1 1 2 676 1 1 16 CYS CA C -2.181 -2.074 2.303 1.00 . A A . 16 CYS CA 1 1 2 677 1 1 16 CYS CB C -2.222 -0.587 2.655 1.00 . A A . 16 CYS CB 1 1 2 678 1 1 16 CYS H H -3.896 -2.292 3.590 1.00 . A A . 16 CYS H 1 1 2 679 1 1 16 CYS HA H -2.068 -2.201 1.238 1.00 . A A . 16 CYS HA 1 1 2 680 1 1 16 CYS HB2 H -2.700 -0.457 3.614 1.00 . A A . 16 CYS HB2 1 1 2 681 1 1 16 CYS HB3 H -1.214 -0.199 2.699 1.00 . A A . 16 CYS HB3 1 1 2 682 1 1 16 CYS N N -3.492 -2.618 2.758 1.00 . A A . 16 CYS N 1 1 2 683 1 1 16 CYS O O -0.855 -2.581 4.235 1.00 . A A . 16 CYS O 1 1 2 684 1 1 16 CYS SG S -3.156 0.307 1.389 1.00 . A A . 16 CYS SG 1 1 2 685 1 1 17 SER C C 2.145 -3.632 2.849 1.00 . A A . 17 SER C 1 1 2 686 1 1 17 SER CA C 0.804 -4.344 3.056 1.00 . A A . 17 SER CA 1 1 2 687 1 1 17 SER CB C 0.825 -5.718 2.389 1.00 . A A . 17 SER CB 1 1 2 688 1 1 17 SER H H -0.483 -3.769 1.425 1.00 . A A . 17 SER H 1 1 2 689 1 1 17 SER HA H 0.593 -4.452 4.107 1.00 . A A . 17 SER HA 1 1 2 690 1 1 17 SER HB2 H -0.090 -5.868 1.842 1.00 . A A . 17 SER HB2 1 1 2 691 1 1 17 SER HB3 H 1.663 -5.773 1.708 1.00 . A A . 17 SER HB3 1 1 2 692 1 1 17 SER HG H 0.282 -6.546 4.064 1.00 . A A . 17 SER HG 1 1 2 693 1 1 17 SER N N -0.304 -3.613 2.376 1.00 . A A . 17 SER N 1 1 2 694 1 1 17 SER O O 3.019 -3.687 3.692 1.00 . A A . 17 SER O 1 1 2 695 1 1 17 SER OG O 0.941 -6.722 3.389 1.00 . A A . 17 SER OG 1 1 2 696 1 1 18 SER C C 4.740 -3.316 1.342 1.00 . A A . 18 SER C 1 1 2 697 1 1 18 SER CA C 3.619 -2.280 1.487 1.00 . A A . 18 SER CA 1 1 2 698 1 1 18 SER CB C 3.851 -1.408 2.722 1.00 . A A . 18 SER CB 1 1 2 699 1 1 18 SER H H 1.613 -2.948 1.061 1.00 . A A . 18 SER H 1 1 2 700 1 1 18 SER HA H 3.553 -1.664 0.605 1.00 . A A . 18 SER HA 1 1 2 701 1 1 18 SER HB2 H 4.306 -0.476 2.428 1.00 . A A . 18 SER HB2 1 1 2 702 1 1 18 SER HB3 H 2.904 -1.208 3.203 1.00 . A A . 18 SER HB3 1 1 2 703 1 1 18 SER HG H 4.230 -2.271 4.424 1.00 . A A . 18 SER HG 1 1 2 704 1 1 18 SER N N 2.323 -2.976 1.736 1.00 . A A . 18 SER N 1 1 2 705 1 1 18 SER O O 4.981 -4.106 2.234 1.00 . A A . 18 SER O 1 1 2 706 1 1 18 SER OG O 4.720 -2.087 3.620 1.00 . A A . 18 SER OG 1 1 2 707 1 1 19 ALA C C 7.549 -3.832 -0.973 1.00 . A A . 19 ALA C 1 1 2 708 1 1 19 ALA CA C 6.513 -4.333 0.040 1.00 . A A . 19 ALA CA 1 1 2 709 1 1 19 ALA CB C 5.813 -5.581 -0.493 1.00 . A A . 19 ALA CB 1 1 2 710 1 1 19 ALA H H 5.210 -2.694 -0.488 1.00 . A A . 19 ALA H 1 1 2 711 1 1 19 ALA HA H 6.985 -4.554 0.984 1.00 . A A . 19 ALA HA 1 1 2 712 1 1 19 ALA HB1 H 4.837 -5.668 -0.039 1.00 . A A . 19 ALA HB1 1 1 2 713 1 1 19 ALA HB2 H 6.401 -6.454 -0.255 1.00 . A A . 19 ALA HB2 1 1 2 714 1 1 19 ALA HB3 H 5.705 -5.501 -1.566 1.00 . A A . 19 ALA HB3 1 1 2 715 1 1 19 ALA N N 5.421 -3.331 0.226 1.00 . A A . 19 ALA N 1 1 2 716 1 1 19 ALA O O 7.677 -2.648 -1.215 1.00 . A A . 19 ALA O 1 1 2 717 1 1 20 PHE C C 9.252 -5.228 -3.802 1.00 . A A . 20 PHE C 1 1 2 718 1 1 20 PHE CA C 9.321 -4.322 -2.562 1.00 . A A . 20 PHE CA 1 1 2 719 1 1 20 PHE CB C 10.657 -4.482 -1.838 1.00 . A A . 20 PHE CB 1 1 2 720 1 1 20 PHE CD1 C 10.893 -2.270 -0.656 1.00 . A A . 20 PHE CD1 1 1 2 721 1 1 20 PHE CD2 C 10.437 -4.251 0.664 1.00 . A A . 20 PHE CD2 1 1 2 722 1 1 20 PHE CE1 C 10.900 -1.494 0.511 1.00 . A A . 20 PHE CE1 1 1 2 723 1 1 20 PHE CE2 C 10.445 -3.477 1.830 1.00 . A A . 20 PHE CE2 1 1 2 724 1 1 20 PHE CG C 10.661 -3.647 -0.579 1.00 . A A . 20 PHE CG 1 1 2 725 1 1 20 PHE CZ C 10.676 -2.098 1.753 1.00 . A A . 20 PHE CZ 1 1 2 726 1 1 20 PHE H H 8.168 -5.681 -1.352 1.00 . A A . 20 PHE H 1 1 2 727 1 1 20 PHE HA H 9.179 -3.292 -2.844 1.00 . A A . 20 PHE HA 1 1 2 728 1 1 20 PHE HB2 H 10.804 -5.521 -1.581 1.00 . A A . 20 PHE HB2 1 1 2 729 1 1 20 PHE HB3 H 11.457 -4.156 -2.486 1.00 . A A . 20 PHE HB3 1 1 2 730 1 1 20 PHE HD1 H 11.066 -1.804 -1.616 1.00 . A A . 20 PHE HD1 1 1 2 731 1 1 20 PHE HD2 H 10.257 -5.316 0.723 1.00 . A A . 20 PHE HD2 1 1 2 732 1 1 20 PHE HE1 H 11.079 -0.432 0.452 1.00 . A A . 20 PHE HE1 1 1 2 733 1 1 20 PHE HE2 H 10.271 -3.943 2.789 1.00 . A A . 20 PHE HE2 1 1 2 734 1 1 20 PHE HZ H 10.682 -1.502 2.652 1.00 . A A . 20 PHE HZ 1 1 2 735 1 1 20 PHE N N 8.290 -4.733 -1.565 1.00 . A A . 20 PHE N 1 1 2 736 1 1 20 PHE O O 8.262 -5.247 -4.507 1.00 . A A . 20 PHE O 1 1 2 737 1 1 21 GLY C C 11.248 -8.022 -5.085 1.00 . A A . 21 GLY C 1 1 2 738 1 1 21 GLY CA C 10.262 -6.869 -5.278 1.00 . A A . 21 GLY CA 1 1 2 739 1 1 21 GLY H H 11.085 -5.957 -3.512 1.00 . A A . 21 GLY H 1 1 2 740 1 1 21 GLY HA2 H 9.264 -7.264 -5.408 1.00 . A A . 21 GLY HA2 1 1 2 741 1 1 21 GLY HA3 H 10.542 -6.303 -6.154 1.00 . A A . 21 GLY HA3 1 1 2 742 1 1 21 GLY N N 10.290 -5.978 -4.082 1.00 . A A . 21 GLY N 1 1 2 743 1 1 21 GLY O O 11.142 -8.793 -4.152 1.00 . A A . 21 GLY O 1 1 2 744 1 1 22 PHE C C 14.444 -8.777 -5.082 1.00 . A A . 22 PHE C 1 1 2 745 1 1 22 PHE CA C 13.197 -9.258 -5.832 1.00 . A A . 22 PHE CA 1 1 2 746 1 1 22 PHE CB C 13.552 -9.640 -7.269 1.00 . A A . 22 PHE CB 1 1 2 747 1 1 22 PHE CD1 C 15.415 -8.033 -7.820 1.00 . A A . 22 PHE CD1 1 1 2 748 1 1 22 PHE CD2 C 13.243 -7.698 -8.845 1.00 . A A . 22 PHE CD2 1 1 2 749 1 1 22 PHE CE1 C 15.906 -6.909 -8.494 1.00 . A A . 22 PHE CE1 1 1 2 750 1 1 22 PHE CE2 C 13.735 -6.573 -9.519 1.00 . A A . 22 PHE CE2 1 1 2 751 1 1 22 PHE CG C 14.083 -8.428 -7.996 1.00 . A A . 22 PHE CG 1 1 2 752 1 1 22 PHE CZ C 15.066 -6.179 -9.343 1.00 . A A . 22 PHE CZ 1 1 2 753 1 1 22 PHE H H 12.274 -7.519 -6.710 1.00 . A A . 22 PHE H 1 1 2 754 1 1 22 PHE HA H 12.756 -10.101 -5.325 1.00 . A A . 22 PHE HA 1 1 2 755 1 1 22 PHE HB2 H 14.305 -10.415 -7.261 1.00 . A A . 22 PHE HB2 1 1 2 756 1 1 22 PHE HB3 H 12.669 -10.002 -7.773 1.00 . A A . 22 PHE HB3 1 1 2 757 1 1 22 PHE HD1 H 16.063 -8.597 -7.166 1.00 . A A . 22 PHE HD1 1 1 2 758 1 1 22 PHE HD2 H 12.215 -8.002 -8.981 1.00 . A A . 22 PHE HD2 1 1 2 759 1 1 22 PHE HE1 H 16.934 -6.605 -8.359 1.00 . A A . 22 PHE HE1 1 1 2 760 1 1 22 PHE HE2 H 13.087 -6.009 -10.173 1.00 . A A . 22 PHE HE2 1 1 2 761 1 1 22 PHE HZ H 15.445 -5.311 -9.862 1.00 . A A . 22 PHE HZ 1 1 2 762 1 1 22 PHE N N 12.207 -8.149 -5.963 1.00 . A A . 22 PHE N 1 1 2 763 1 1 22 PHE O O 15.422 -9.488 -4.962 1.00 . A A . 22 PHE O 1 1 2 764 1 1 23 ARG C C 15.223 -5.780 -3.067 1.00 . A A . 23 ARG C 1 1 2 765 1 1 23 ARG CA C 15.602 -7.051 -3.832 1.00 . A A . 23 ARG CA 1 1 2 766 1 1 23 ARG CB C 16.640 -6.741 -4.912 1.00 . A A . 23 ARG CB 1 1 2 767 1 1 23 ARG CD C 19.118 -6.787 -5.239 1.00 . A A . 23 ARG CD 1 1 2 768 1 1 23 ARG CG C 17.992 -6.452 -4.256 1.00 . A A . 23 ARG CG 1 1 2 769 1 1 23 ARG CZ C 19.904 -5.152 -6.845 1.00 . A A . 23 ARG CZ 1 1 2 770 1 1 23 ARG H H 13.621 -7.016 -4.679 1.00 . A A . 23 ARG H 1 1 2 771 1 1 23 ARG HA H 15.986 -7.798 -3.155 1.00 . A A . 23 ARG HA 1 1 2 772 1 1 23 ARG HB2 H 16.734 -7.589 -5.574 1.00 . A A . 23 ARG HB2 1 1 2 773 1 1 23 ARG HB3 H 16.325 -5.876 -5.476 1.00 . A A . 23 ARG HB3 1 1 2 774 1 1 23 ARG HD2 H 20.080 -6.609 -4.780 1.00 . A A . 23 ARG HD2 1 1 2 775 1 1 23 ARG HD3 H 19.039 -7.812 -5.567 1.00 . A A . 23 ARG HD3 1 1 2 776 1 1 23 ARG HE H 18.026 -5.794 -6.806 1.00 . A A . 23 ARG HE 1 1 2 777 1 1 23 ARG HG2 H 18.045 -5.407 -3.987 1.00 . A A . 23 ARG HG2 1 1 2 778 1 1 23 ARG HG3 H 18.099 -7.059 -3.369 1.00 . A A . 23 ARG HG3 1 1 2 779 1 1 23 ARG HH11 H 20.487 -4.529 -5.035 1.00 . A A . 23 ARG HH11 1 1 2 780 1 1 23 ARG HH12 H 21.427 -3.944 -6.368 1.00 . A A . 23 ARG HH12 1 1 2 781 1 1 23 ARG HH21 H 19.554 -5.610 -8.763 1.00 . A A . 23 ARG HH21 1 1 2 782 1 1 23 ARG HH22 H 20.898 -4.556 -8.477 1.00 . A A . 23 ARG HH22 1 1 2 783 1 1 23 ARG N N 14.418 -7.575 -4.573 1.00 . A A . 23 ARG N 1 1 2 784 1 1 23 ARG NE N 18.910 -5.865 -6.391 1.00 . A A . 23 ARG NE 1 1 2 785 1 1 23 ARG NH1 N 20.665 -4.490 -6.018 1.00 . A A . 23 ARG NH1 1 1 2 786 1 1 23 ARG NH2 N 20.137 -5.102 -8.128 1.00 . A A . 23 ARG NH2 1 1 2 787 1 1 23 ARG O O 15.428 -5.675 -1.874 1.00 . A A . 23 ARG O 1 1 2 788 1 1 24 ASN C C 13.499 -2.646 -4.031 1.00 . A A . 24 ASN C 1 1 2 789 1 1 24 ASN CA C 14.265 -3.551 -3.060 1.00 . A A . 24 ASN CA 1 1 2 790 1 1 24 ASN CB C 15.572 -2.883 -2.609 1.00 . A A . 24 ASN CB 1 1 2 791 1 1 24 ASN CG C 16.680 -3.125 -3.638 1.00 . A A . 24 ASN CG 1 1 2 792 1 1 24 ASN H H 14.506 -4.922 -4.706 1.00 . A A . 24 ASN H 1 1 2 793 1 1 24 ASN HA H 13.653 -3.773 -2.200 1.00 . A A . 24 ASN HA 1 1 2 794 1 1 24 ASN HB2 H 15.410 -1.820 -2.504 1.00 . A A . 24 ASN HB2 1 1 2 795 1 1 24 ASN HB3 H 15.873 -3.295 -1.657 1.00 . A A . 24 ASN HB3 1 1 2 796 1 1 24 ASN HD21 H 18.134 -3.099 -2.287 1.00 . A A . 24 ASN HD21 1 1 2 797 1 1 24 ASN HD22 H 18.636 -3.348 -3.890 1.00 . A A . 24 ASN HD22 1 1 2 798 1 1 24 ASN N N 14.665 -4.814 -3.746 1.00 . A A . 24 ASN N 1 1 2 799 1 1 24 ASN ND2 N 17.920 -3.197 -3.238 1.00 . A A . 24 ASN ND2 1 1 2 800 1 1 24 ASN O O 12.313 -2.432 -3.882 1.00 . A A . 24 ASN O 1 1 2 801 1 1 24 ASN OD1 O 16.414 -3.247 -4.818 1.00 . A A . 24 ASN OD1 1 1 2 802 1 1 25 LEU C C 12.504 -0.288 -5.263 1.00 . A A . 25 LEU C 1 1 2 803 1 1 25 LEU CA C 13.464 -1.228 -5.998 1.00 . A A . 25 LEU CA 1 1 2 804 1 1 25 LEU CB C 12.689 -2.180 -6.910 1.00 . A A . 25 LEU CB 1 1 2 805 1 1 25 LEU CD1 C 13.583 -1.294 -9.071 1.00 . A A . 25 LEU CD1 1 1 2 806 1 1 25 LEU CD2 C 14.948 -2.885 -7.712 1.00 . A A . 25 LEU CD2 1 1 2 807 1 1 25 LEU CG C 13.529 -2.511 -8.146 1.00 . A A . 25 LEU CG 1 1 2 808 1 1 25 LEU H H 15.117 -2.300 -5.130 1.00 . A A . 25 LEU H 1 1 2 809 1 1 25 LEU HA H 14.179 -0.664 -6.575 1.00 . A A . 25 LEU HA 1 1 2 810 1 1 25 LEU HB2 H 12.466 -3.091 -6.373 1.00 . A A . 25 LEU HB2 1 1 2 811 1 1 25 LEU HB3 H 11.767 -1.710 -7.220 1.00 . A A . 25 LEU HB3 1 1 2 812 1 1 25 LEU HD11 H 12.641 -1.194 -9.589 1.00 . A A . 25 LEU HD11 1 1 2 813 1 1 25 LEU HD12 H 14.378 -1.424 -9.791 1.00 . A A . 25 LEU HD12 1 1 2 814 1 1 25 LEU HD13 H 13.770 -0.405 -8.486 1.00 . A A . 25 LEU HD13 1 1 2 815 1 1 25 LEU HD21 H 15.481 -3.309 -8.551 1.00 . A A . 25 LEU HD21 1 1 2 816 1 1 25 LEU HD22 H 14.901 -3.609 -6.912 1.00 . A A . 25 LEU HD22 1 1 2 817 1 1 25 LEU HD23 H 15.465 -2.001 -7.367 1.00 . A A . 25 LEU HD23 1 1 2 818 1 1 25 LEU HG H 13.082 -3.342 -8.672 1.00 . A A . 25 LEU HG 1 1 2 819 1 1 25 LEU N N 14.163 -2.115 -5.023 1.00 . A A . 25 LEU N 1 1 2 820 1 1 25 LEU O O 11.427 0.012 -5.739 1.00 . A A . 25 LEU O 1 1 2 821 1 1 26 SER C C 10.726 0.336 -2.900 1.00 . A A . 26 SER C 1 1 2 822 1 1 26 SER CA C 11.986 1.087 -3.336 1.00 . A A . 26 SER CA 1 1 2 823 1 1 26 SER CB C 11.631 2.209 -4.311 1.00 . A A . 26 SER CB 1 1 2 824 1 1 26 SER H H 13.752 -0.085 -3.731 1.00 . A A . 26 SER H 1 1 2 825 1 1 26 SER HA H 12.502 1.491 -2.479 1.00 . A A . 26 SER HA 1 1 2 826 1 1 26 SER HB2 H 10.840 1.882 -4.964 1.00 . A A . 26 SER HB2 1 1 2 827 1 1 26 SER HB3 H 11.301 3.075 -3.754 1.00 . A A . 26 SER HB3 1 1 2 828 1 1 26 SER HG H 13.418 2.953 -4.510 1.00 . A A . 26 SER HG 1 1 2 829 1 1 26 SER N N 12.883 0.173 -4.102 1.00 . A A . 26 SER N 1 1 2 830 1 1 26 SER O O 10.452 -0.754 -3.361 1.00 . A A . 26 SER O 1 1 2 831 1 1 26 SER OG O 12.775 2.536 -5.089 1.00 . A A . 26 SER OG 1 1 2 832 1 1 27 LEU C C 7.963 -0.362 -2.752 1.00 . A A . 27 LEU C 1 1 2 833 1 1 27 LEU CA C 8.718 0.224 -1.554 1.00 . A A . 27 LEU CA 1 1 2 834 1 1 27 LEU CB C 7.892 1.316 -0.874 1.00 . A A . 27 LEU CB 1 1 2 835 1 1 27 LEU CD1 C 8.154 2.842 1.087 1.00 . A A . 27 LEU CD1 1 1 2 836 1 1 27 LEU CD2 C 7.320 0.511 1.419 1.00 . A A . 27 LEU CD2 1 1 2 837 1 1 27 LEU CG C 8.269 1.394 0.605 1.00 . A A . 27 LEU CG 1 1 2 838 1 1 27 LEU H H 10.196 1.789 -1.655 1.00 . A A . 27 LEU H 1 1 2 839 1 1 27 LEU HA H 8.958 -0.553 -0.845 1.00 . A A . 27 LEU HA 1 1 2 840 1 1 27 LEU HB2 H 8.092 2.265 -1.349 1.00 . A A . 27 LEU HB2 1 1 2 841 1 1 27 LEU HB3 H 6.843 1.082 -0.965 1.00 . A A . 27 LEU HB3 1 1 2 842 1 1 27 LEU HD11 H 8.568 2.924 2.080 1.00 . A A . 27 LEU HD11 1 1 2 843 1 1 27 LEU HD12 H 7.114 3.135 1.104 1.00 . A A . 27 LEU HD12 1 1 2 844 1 1 27 LEU HD13 H 8.699 3.489 0.415 1.00 . A A . 27 LEU HD13 1 1 2 845 1 1 27 LEU HD21 H 6.390 0.391 0.883 1.00 . A A . 27 LEU HD21 1 1 2 846 1 1 27 LEU HD22 H 7.127 0.977 2.375 1.00 . A A . 27 LEU HD22 1 1 2 847 1 1 27 LEU HD23 H 7.773 -0.455 1.576 1.00 . A A . 27 LEU HD23 1 1 2 848 1 1 27 LEU HG H 9.286 1.051 0.737 1.00 . A A . 27 LEU HG 1 1 2 849 1 1 27 LEU N N 9.958 0.909 -2.015 1.00 . A A . 27 LEU N 1 1 2 850 1 1 27 LEU O O 8.206 -1.476 -3.163 1.00 . A A . 27 LEU O 1 1 2 851 1 1 28 VAL C C 5.489 -1.378 -4.125 1.00 . A A . 28 VAL C 1 1 2 852 1 1 28 VAL CA C 6.290 -0.126 -4.497 1.00 . A A . 28 VAL CA 1 1 2 853 1 1 28 VAL CB C 7.351 -0.471 -5.544 1.00 . A A . 28 VAL CB 1 1 2 854 1 1 28 VAL CG1 C 6.670 -0.797 -6.875 1.00 . A A . 28 VAL CG1 1 1 2 855 1 1 28 VAL CG2 C 8.292 0.722 -5.736 1.00 . A A . 28 VAL CG2 1 1 2 856 1 1 28 VAL H H 6.875 1.286 -2.976 1.00 . A A . 28 VAL H 1 1 2 857 1 1 28 VAL HA H 5.633 0.640 -4.880 1.00 . A A . 28 VAL HA 1 1 2 858 1 1 28 VAL HB H 7.918 -1.330 -5.213 1.00 . A A . 28 VAL HB 1 1 2 859 1 1 28 VAL HG11 H 7.006 -1.761 -7.225 1.00 . A A . 28 VAL HG11 1 1 2 860 1 1 28 VAL HG12 H 6.921 -0.040 -7.603 1.00 . A A . 28 VAL HG12 1 1 2 861 1 1 28 VAL HG13 H 5.599 -0.819 -6.735 1.00 . A A . 28 VAL HG13 1 1 2 862 1 1 28 VAL HG21 H 9.241 0.375 -6.115 1.00 . A A . 28 VAL HG21 1 1 2 863 1 1 28 VAL HG22 H 8.444 1.219 -4.789 1.00 . A A . 28 VAL HG22 1 1 2 864 1 1 28 VAL HG23 H 7.855 1.415 -6.440 1.00 . A A . 28 VAL HG23 1 1 2 865 1 1 28 VAL N N 7.054 0.386 -3.320 1.00 . A A . 28 VAL N 1 1 2 866 1 1 28 VAL O O 6.041 -2.438 -3.903 1.00 . A A . 28 VAL O 1 1 2 867 1 1 29 TRP C C 1.989 -2.353 -4.421 1.00 . A A . 29 TRP C 1 1 2 868 1 1 29 TRP CA C 3.347 -2.451 -3.718 1.00 . A A . 29 TRP CA 1 1 2 869 1 1 29 TRP CB C 3.167 -2.439 -2.189 1.00 . A A . 29 TRP CB 1 1 2 870 1 1 29 TRP CD1 C 4.553 -0.420 -1.543 1.00 . A A . 29 TRP CD1 1 1 2 871 1 1 29 TRP CD2 C 2.369 -0.154 -1.074 1.00 . A A . 29 TRP CD2 1 1 2 872 1 1 29 TRP CE2 C 3.021 1.034 -0.667 1.00 . A A . 29 TRP CE2 1 1 2 873 1 1 29 TRP CE3 C 0.978 -0.245 -0.886 1.00 . A A . 29 TRP CE3 1 1 2 874 1 1 29 TRP CG C 3.363 -1.061 -1.632 1.00 . A A . 29 TRP CG 1 1 2 875 1 1 29 TRP CH2 C 0.938 1.987 0.088 1.00 . A A . 29 TRP CH2 1 1 2 876 1 1 29 TRP CZ2 C 2.319 2.094 -0.093 1.00 . A A . 29 TRP CZ2 1 1 2 877 1 1 29 TRP CZ3 C 0.269 0.820 -0.308 1.00 . A A . 29 TRP CZ3 1 1 2 878 1 1 29 TRP H H 3.764 -0.402 -4.254 1.00 . A A . 29 TRP H 1 1 2 879 1 1 29 TRP HA H 3.850 -3.358 -4.016 1.00 . A A . 29 TRP HA 1 1 2 880 1 1 29 TRP HB2 H 2.172 -2.778 -1.947 1.00 . A A . 29 TRP HB2 1 1 2 881 1 1 29 TRP HB3 H 3.887 -3.110 -1.744 1.00 . A A . 29 TRP HB3 1 1 2 882 1 1 29 TRP HD1 H 5.505 -0.814 -1.867 1.00 . A A . 29 TRP HD1 1 1 2 883 1 1 29 TRP HE1 H 5.047 1.488 -0.800 1.00 . A A . 29 TRP HE1 1 1 2 884 1 1 29 TRP HE3 H 0.453 -1.140 -1.188 1.00 . A A . 29 TRP HE3 1 1 2 885 1 1 29 TRP HH2 H 0.388 2.803 0.531 1.00 . A A . 29 TRP HH2 1 1 2 886 1 1 29 TRP HZ2 H 2.839 2.990 0.210 1.00 . A A . 29 TRP HZ2 1 1 2 887 1 1 29 TRP HZ3 H -0.798 0.738 -0.166 1.00 . A A . 29 TRP HZ3 1 1 2 888 1 1 29 TRP N N 4.189 -1.265 -4.065 1.00 . A A . 29 TRP N 1 1 2 889 1 1 29 TRP NE1 N 4.349 0.824 -0.974 1.00 . A A . 29 TRP NE1 1 1 2 890 1 1 29 TRP O O 1.819 -1.595 -5.355 1.00 . A A . 29 TRP O 1 1 2 891 1 1 30 GLY C C -1.414 -2.920 -3.595 1.00 . A A . 30 GLY C 1 1 2 892 1 1 30 GLY CA C -0.313 -3.071 -4.648 1.00 . A A . 30 GLY CA 1 1 2 893 1 1 30 GLY H H 1.181 -3.733 -3.240 1.00 . A A . 30 GLY H 1 1 2 894 1 1 30 GLY HA2 H -0.347 -2.230 -5.326 1.00 . A A . 30 GLY HA2 1 1 2 895 1 1 30 GLY HA3 H -0.473 -3.983 -5.202 1.00 . A A . 30 GLY HA3 1 1 2 896 1 1 30 GLY N N 1.024 -3.121 -3.990 1.00 . A A . 30 GLY N 1 1 2 897 1 1 30 GLY O O -1.287 -2.170 -2.649 1.00 . A A . 30 GLY O 1 1 2 898 1 1 31 CYS C C -4.663 -4.614 -3.051 1.00 . A A . 31 CYS C 1 1 2 899 1 1 31 CYS CA C -3.623 -3.521 -2.777 1.00 . A A . 31 CYS CA 1 1 2 900 1 1 31 CYS CB C -4.222 -2.136 -3.023 1.00 . A A . 31 CYS CB 1 1 2 901 1 1 31 CYS H H -2.588 -4.220 -4.535 1.00 . A A . 31 CYS H 1 1 2 902 1 1 31 CYS HA H -3.251 -3.593 -1.768 1.00 . A A . 31 CYS HA 1 1 2 903 1 1 31 CYS HB2 H -3.436 -1.451 -3.303 1.00 . A A . 31 CYS HB2 1 1 2 904 1 1 31 CYS HB3 H -4.947 -2.195 -3.821 1.00 . A A . 31 CYS HB3 1 1 2 905 1 1 31 CYS N N -2.503 -3.626 -3.760 1.00 . A A . 31 CYS N 1 1 2 906 1 1 31 CYS O O -4.970 -4.917 -4.186 1.00 . A A . 31 CYS O 1 1 2 907 1 1 31 CYS SG S -5.031 -1.538 -1.518 1.00 . A A . 31 CYS SG 1 1 2 908 1 1 32 SER C C -7.354 -6.169 -1.220 1.00 . A A . 32 SER C 1 1 2 909 1 1 32 SER CA C -6.218 -6.286 -2.240 1.00 . A A . 32 SER CA 1 1 2 910 1 1 32 SER CB C -5.457 -7.596 -2.038 1.00 . A A . 32 SER CB 1 1 2 911 1 1 32 SER H H -4.943 -4.958 -1.112 1.00 . A A . 32 SER H 1 1 2 912 1 1 32 SER HA H -6.607 -6.239 -3.245 1.00 . A A . 32 SER HA 1 1 2 913 1 1 32 SER HB2 H -5.162 -7.688 -1.007 1.00 . A A . 32 SER HB2 1 1 2 914 1 1 32 SER HB3 H -6.098 -8.427 -2.302 1.00 . A A . 32 SER HB3 1 1 2 915 1 1 32 SER HG H -4.483 -7.062 -3.635 1.00 . A A . 32 SER HG 1 1 2 916 1 1 32 SER N N -5.204 -5.212 -2.022 1.00 . A A . 32 SER N 1 1 2 917 1 1 32 SER O O -7.174 -5.630 -0.146 1.00 . A A . 32 SER O 1 1 2 918 1 1 32 SER OG O -4.297 -7.594 -2.858 1.00 . A A . 32 SER OG 1 1 2 919 1 1 33 PRO C C -9.549 -7.684 0.407 1.00 . A A . 33 PRO C 1 1 2 920 1 1 33 PRO CA C -9.683 -6.648 -0.714 1.00 . A A . 33 PRO CA 1 1 2 921 1 1 33 PRO CB C -10.835 -7.004 -1.649 1.00 . A A . 33 PRO CB 1 1 2 922 1 1 33 PRO CD C -8.774 -7.346 -2.879 1.00 . A A . 33 PRO CD 1 1 2 923 1 1 33 PRO CG C -10.212 -7.791 -2.759 1.00 . A A . 33 PRO CG 1 1 2 924 1 1 33 PRO HA H -9.827 -5.661 -0.308 1.00 . A A . 33 PRO HA 1 1 2 925 1 1 33 PRO HB2 H -11.569 -7.603 -1.127 1.00 . A A . 33 PRO HB2 1 1 2 926 1 1 33 PRO HB3 H -11.289 -6.109 -2.042 1.00 . A A . 33 PRO HB3 1 1 2 927 1 1 33 PRO HD2 H -8.126 -8.200 -3.018 1.00 . A A . 33 PRO HD2 1 1 2 928 1 1 33 PRO HD3 H -8.660 -6.645 -3.691 1.00 . A A . 33 PRO HD3 1 1 2 929 1 1 33 PRO HG2 H -10.254 -8.846 -2.530 1.00 . A A . 33 PRO HG2 1 1 2 930 1 1 33 PRO HG3 H -10.729 -7.595 -3.686 1.00 . A A . 33 PRO HG3 1 1 2 931 1 1 33 PRO N N -8.493 -6.686 -1.599 1.00 . A A . 33 PRO N 1 1 2 932 1 1 33 PRO O O -10.218 -8.698 0.415 1.00 . A A . 33 PRO O 1 1 2 933 1 1 34 VAL C C -8.521 -9.838 1.965 1.00 . A A . 34 VAL C 1 1 2 934 1 1 34 VAL CA C -8.501 -8.396 2.480 1.00 . A A . 34 VAL CA 1 1 2 935 1 1 34 VAL CB C -9.683 -8.151 3.417 1.00 . A A . 34 VAL CB 1 1 2 936 1 1 34 VAL CG1 C -9.407 -8.813 4.768 1.00 . A A . 34 VAL CG1 1 1 2 937 1 1 34 VAL CG2 C -9.874 -6.648 3.619 1.00 . A A . 34 VAL CG2 1 1 2 938 1 1 34 VAL H H -8.159 -6.607 1.325 1.00 . A A . 34 VAL H 1 1 2 939 1 1 34 VAL HA H -7.576 -8.192 2.996 1.00 . A A . 34 VAL HA 1 1 2 940 1 1 34 VAL HB H -10.579 -8.575 2.985 1.00 . A A . 34 VAL HB 1 1 2 941 1 1 34 VAL HG11 H -10.225 -9.473 5.020 1.00 . A A . 34 VAL HG11 1 1 2 942 1 1 34 VAL HG12 H -9.311 -8.054 5.529 1.00 . A A . 34 VAL HG12 1 1 2 943 1 1 34 VAL HG13 H -8.492 -9.382 4.709 1.00 . A A . 34 VAL HG13 1 1 2 944 1 1 34 VAL HG21 H -10.450 -6.476 4.517 1.00 . A A . 34 VAL HG21 1 1 2 945 1 1 34 VAL HG22 H -10.398 -6.234 2.770 1.00 . A A . 34 VAL HG22 1 1 2 946 1 1 34 VAL HG23 H -8.909 -6.171 3.713 1.00 . A A . 34 VAL HG23 1 1 2 947 1 1 34 VAL N N -8.687 -7.432 1.354 1.00 . A A . 34 VAL N 1 1 2 948 1 1 34 VAL O O -9.215 -10.684 2.493 1.00 . A A . 34 VAL O 1 1 2 949 1 1 35 GLU C C -9.163 -11.960 0.027 1.00 . A A . 35 GLU C 1 1 2 950 1 1 35 GLU CA C -7.745 -11.518 0.403 1.00 . A A . 35 GLU CA 1 1 2 951 1 1 35 GLU CB C -7.201 -12.379 1.545 1.00 . A A . 35 GLU CB 1 1 2 952 1 1 35 GLU CD C -6.231 -14.486 0.615 1.00 . A A . 35 GLU CD 1 1 2 953 1 1 35 GLU CG C -5.912 -13.069 1.094 1.00 . A A . 35 GLU CG 1 1 2 954 1 1 35 GLU H H -7.209 -9.434 0.530 1.00 . A A . 35 GLU H 1 1 2 955 1 1 35 GLU HA H -7.090 -11.583 -0.451 1.00 . A A . 35 GLU HA 1 1 2 956 1 1 35 GLU HB2 H -6.996 -11.753 2.402 1.00 . A A . 35 GLU HB2 1 1 2 957 1 1 35 GLU HB3 H -7.932 -13.129 1.811 1.00 . A A . 35 GLU HB3 1 1 2 958 1 1 35 GLU HG2 H -5.467 -12.506 0.286 1.00 . A A . 35 GLU HG2 1 1 2 959 1 1 35 GLU HG3 H -5.221 -13.117 1.922 1.00 . A A . 35 GLU HG3 1 1 2 960 1 1 35 GLU N N -7.764 -10.128 0.942 1.00 . A A . 35 GLU N 1 1 2 961 1 1 35 GLU O O -9.715 -12.781 0.741 1.00 . A A . 35 GLU O 1 1 2 962 1 1 35 GLU OXT O -9.670 -11.472 -0.970 1.00 . A A . 35 GLU OXT 1 1 2 963 1 1 35 GLU OE1 O -6.655 -14.625 -0.520 1.00 . A A . 35 GLU OE1 1 1 2 964 1 1 35 GLU OE2 O -6.046 -15.408 1.392 1.00 . A A . 35 GLU OE2 1 1 3 965 1 1 1 ASP C C -10.062 6.862 1.892 1.00 . A A . 1 ASP C 1 1 3 966 1 1 1 ASP CA C -11.382 6.893 1.116 1.00 . A A . 1 ASP CA 1 1 3 967 1 1 1 ASP CB C -11.155 7.407 -0.307 1.00 . A A . 1 ASP CB 1 1 3 968 1 1 1 ASP CG C -10.912 6.221 -1.242 1.00 . A A . 1 ASP CG 1 1 3 969 1 1 1 ASP H1 H -13.251 7.417 1.877 1.00 . A A . 1 ASP H1 1 1 3 970 1 1 1 ASP H2 H -12.429 8.701 1.128 1.00 . A A . 1 ASP H2 1 1 3 971 1 1 1 ASP H3 H -11.952 8.165 2.667 1.00 . A A . 1 ASP H3 1 1 3 972 1 1 1 ASP HA H -11.824 5.909 1.087 1.00 . A A . 1 ASP HA 1 1 3 973 1 1 1 ASP HB2 H -12.027 7.954 -0.635 1.00 . A A . 1 ASP HB2 1 1 3 974 1 1 1 ASP HB3 H -10.294 8.057 -0.321 1.00 . A A . 1 ASP HB3 1 1 3 975 1 1 1 ASP N N -12.325 7.868 1.744 1.00 . A A . 1 ASP N 1 1 3 976 1 1 1 ASP O O -9.536 7.886 2.281 1.00 . A A . 1 ASP O 1 1 3 977 1 1 1 ASP OD1 O -10.428 5.207 -0.767 1.00 . A A . 1 ASP OD1 1 1 3 978 1 1 1 ASP OD2 O -11.211 6.349 -2.417 1.00 . A A . 1 ASP OD2 1 1 3 979 1 1 2 HIS C C -7.051 5.816 1.930 1.00 . A A . 2 HIS C 1 1 3 980 1 1 2 HIS CA C -8.238 5.602 2.872 1.00 . A A . 2 HIS CA 1 1 3 981 1 1 2 HIS CB C -8.216 4.184 3.445 1.00 . A A . 2 HIS CB 1 1 3 982 1 1 2 HIS CD2 C -8.659 3.686 5.987 1.00 . A A . 2 HIS CD2 1 1 3 983 1 1 2 HIS CE1 C -7.007 4.814 6.822 1.00 . A A . 2 HIS CE1 1 1 3 984 1 1 2 HIS CG C -7.985 4.246 4.930 1.00 . A A . 2 HIS CG 1 1 3 985 1 1 2 HIS H H -9.963 4.881 1.798 1.00 . A A . 2 HIS H 1 1 3 986 1 1 2 HIS HA H -8.219 6.323 3.674 1.00 . A A . 2 HIS HA 1 1 3 987 1 1 2 HIS HB2 H -9.161 3.700 3.248 1.00 . A A . 2 HIS HB2 1 1 3 988 1 1 2 HIS HB3 H -7.419 3.622 2.980 1.00 . A A . 2 HIS HB3 1 1 3 989 1 1 2 HIS HD1 H -6.263 5.479 4.996 1.00 . A A . 2 HIS HD1 1 1 3 990 1 1 2 HIS HD2 H -9.536 3.062 5.905 1.00 . A A . 2 HIS HD2 1 1 3 991 1 1 2 HIS HE1 H -6.315 5.263 7.519 1.00 . A A . 2 HIS HE1 1 1 3 992 1 1 2 HIS N N -9.523 5.696 2.119 1.00 . A A . 2 HIS N 1 1 3 993 1 1 2 HIS ND1 N -6.935 4.961 5.486 1.00 . A A . 2 HIS ND1 1 1 3 994 1 1 2 HIS NE2 N -8.041 4.047 7.180 1.00 . A A . 2 HIS NE2 1 1 3 995 1 1 2 HIS O O -7.136 5.579 0.742 1.00 . A A . 2 HIS O 1 1 3 996 1 1 3 VAL C C -3.631 5.501 2.010 1.00 . A A . 3 VAL C 1 1 3 997 1 1 3 VAL CA C -4.738 6.476 1.597 1.00 . A A . 3 VAL CA 1 1 3 998 1 1 3 VAL CB C -4.308 7.926 1.855 1.00 . A A . 3 VAL CB 1 1 3 999 1 1 3 VAL CG1 C -3.451 8.420 0.687 1.00 . A A . 3 VAL CG1 1 1 3 1000 1 1 3 VAL CG2 C -5.547 8.820 1.980 1.00 . A A . 3 VAL CG2 1 1 3 1001 1 1 3 VAL H H -5.892 6.434 3.418 1.00 . A A . 3 VAL H 1 1 3 1002 1 1 3 VAL HA H -4.988 6.344 0.556 1.00 . A A . 3 VAL HA 1 1 3 1003 1 1 3 VAL HB H -3.733 7.975 2.768 1.00 . A A . 3 VAL HB 1 1 3 1004 1 1 3 VAL HG11 H -4.073 8.542 -0.188 1.00 . A A . 3 VAL HG11 1 1 3 1005 1 1 3 VAL HG12 H -2.675 7.698 0.479 1.00 . A A . 3 VAL HG12 1 1 3 1006 1 1 3 VAL HG13 H -3.003 9.367 0.945 1.00 . A A . 3 VAL HG13 1 1 3 1007 1 1 3 VAL HG21 H -5.801 8.939 3.023 1.00 . A A . 3 VAL HG21 1 1 3 1008 1 1 3 VAL HG22 H -6.375 8.364 1.458 1.00 . A A . 3 VAL HG22 1 1 3 1009 1 1 3 VAL HG23 H -5.337 9.787 1.547 1.00 . A A . 3 VAL HG23 1 1 3 1010 1 1 3 VAL N N -5.940 6.255 2.456 1.00 . A A . 3 VAL N 1 1 3 1011 1 1 3 VAL O O -3.024 5.642 3.052 1.00 . A A . 3 VAL O 1 1 3 1012 1 1 4 CYS C C -0.926 4.095 1.362 1.00 . A A . 4 CYS C 1 1 3 1013 1 1 4 CYS CA C -2.327 3.508 1.562 1.00 . A A . 4 CYS CA 1 1 3 1014 1 1 4 CYS CB C -2.558 2.338 0.607 1.00 . A A . 4 CYS CB 1 1 3 1015 1 1 4 CYS H H -3.889 4.402 0.377 1.00 . A A . 4 CYS H 1 1 3 1016 1 1 4 CYS HA H -2.451 3.177 2.580 1.00 . A A . 4 CYS HA 1 1 3 1017 1 1 4 CYS HB2 H -3.233 2.642 -0.179 1.00 . A A . 4 CYS HB2 1 1 3 1018 1 1 4 CYS HB3 H -1.616 2.032 0.175 1.00 . A A . 4 CYS HB3 1 1 3 1019 1 1 4 CYS N N -3.378 4.504 1.208 1.00 . A A . 4 CYS N 1 1 3 1020 1 1 4 CYS O O -0.476 4.286 0.250 1.00 . A A . 4 CYS O 1 1 3 1021 1 1 4 CYS SG S -3.280 0.951 1.519 1.00 . A A . 4 CYS SG 1 1 3 1022 1 1 5 ASP C C 1.266 5.894 1.151 1.00 . A A . 5 ASP C 1 1 3 1023 1 1 5 ASP CA C 1.147 4.932 2.337 1.00 . A A . 5 ASP CA 1 1 3 1024 1 1 5 ASP CB C 2.049 3.715 2.128 1.00 . A A . 5 ASP CB 1 1 3 1025 1 1 5 ASP CG C 2.431 3.124 3.485 1.00 . A A . 5 ASP CG 1 1 3 1026 1 1 5 ASP H H -0.623 4.194 3.321 1.00 . A A . 5 ASP H 1 1 3 1027 1 1 5 ASP HA H 1.416 5.432 3.254 1.00 . A A . 5 ASP HA 1 1 3 1028 1 1 5 ASP HB2 H 1.521 2.972 1.548 1.00 . A A . 5 ASP HB2 1 1 3 1029 1 1 5 ASP HB3 H 2.943 4.015 1.604 1.00 . A A . 5 ASP HB3 1 1 3 1030 1 1 5 ASP N N -0.235 4.369 2.438 1.00 . A A . 5 ASP N 1 1 3 1031 1 1 5 ASP O O 2.203 5.827 0.381 1.00 . A A . 5 ASP O 1 1 3 1032 1 1 5 ASP OD1 O 3.171 3.774 4.206 1.00 . A A . 5 ASP OD1 1 1 3 1033 1 1 5 ASP OD2 O 1.978 2.030 3.783 1.00 . A A . 5 ASP OD2 1 1 3 1034 1 1 6 ASP C C 0.556 6.988 -1.463 1.00 . A A . 6 ASP C 1 1 3 1035 1 1 6 ASP CA C 0.404 7.747 -0.143 1.00 . A A . 6 ASP CA 1 1 3 1036 1 1 6 ASP CB C 1.648 8.591 0.138 1.00 . A A . 6 ASP CB 1 1 3 1037 1 1 6 ASP CG C 1.489 9.971 -0.503 1.00 . A A . 6 ASP CG 1 1 3 1038 1 1 6 ASP H H -0.420 6.830 1.627 1.00 . A A . 6 ASP H 1 1 3 1039 1 1 6 ASP HA H -0.472 8.375 -0.167 1.00 . A A . 6 ASP HA 1 1 3 1040 1 1 6 ASP HB2 H 1.774 8.702 1.206 1.00 . A A . 6 ASP HB2 1 1 3 1041 1 1 6 ASP HB3 H 2.516 8.102 -0.278 1.00 . A A . 6 ASP HB3 1 1 3 1042 1 1 6 ASP N N 0.329 6.788 0.996 1.00 . A A . 6 ASP N 1 1 3 1043 1 1 6 ASP O O 0.593 5.773 -1.492 1.00 . A A . 6 ASP O 1 1 3 1044 1 1 6 ASP OD1 O 0.736 10.768 0.033 1.00 . A A . 6 ASP OD1 1 1 3 1045 1 1 6 ASP OD2 O 2.121 10.208 -1.519 1.00 . A A . 6 ASP OD2 1 1 3 1046 1 1 7 ASN C C -0.478 6.235 -4.214 1.00 . A A . 7 ASN C 1 1 3 1047 1 1 7 ASN CA C 0.794 7.013 -3.875 1.00 . A A . 7 ASN CA 1 1 3 1048 1 1 7 ASN CB C 1.976 6.058 -3.700 1.00 . A A . 7 ASN CB 1 1 3 1049 1 1 7 ASN CG C 2.687 5.873 -5.041 1.00 . A A . 7 ASN CG 1 1 3 1050 1 1 7 ASN H H 0.614 8.671 -2.512 1.00 . A A . 7 ASN H 1 1 3 1051 1 1 7 ASN HA H 1.013 7.732 -4.648 1.00 . A A . 7 ASN HA 1 1 3 1052 1 1 7 ASN HB2 H 2.667 6.469 -2.979 1.00 . A A . 7 ASN HB2 1 1 3 1053 1 1 7 ASN HB3 H 1.617 5.102 -3.351 1.00 . A A . 7 ASN HB3 1 1 3 1054 1 1 7 ASN HD21 H 3.219 3.997 -4.663 1.00 . A A . 7 ASN HD21 1 1 3 1055 1 1 7 ASN HD22 H 3.712 4.601 -6.170 1.00 . A A . 7 ASN HD22 1 1 3 1056 1 1 7 ASN N N 0.645 7.693 -2.557 1.00 . A A . 7 ASN N 1 1 3 1057 1 1 7 ASN ND2 N 3.253 4.728 -5.314 1.00 . A A . 7 ASN ND2 1 1 3 1058 1 1 7 ASN O O -1.128 6.488 -5.209 1.00 . A A . 7 ASN O 1 1 3 1059 1 1 7 ASN OD1 O 2.728 6.778 -5.851 1.00 . A A . 7 ASN OD1 1 1 3 1060 1 1 8 PHE C C -3.155 4.824 -2.643 1.00 . A A . 8 PHE C 1 1 3 1061 1 1 8 PHE CA C -2.070 4.495 -3.670 1.00 . A A . 8 PHE CA 1 1 3 1062 1 1 8 PHE CB C -1.636 3.036 -3.540 1.00 . A A . 8 PHE CB 1 1 3 1063 1 1 8 PHE CD1 C -3.804 1.814 -3.947 1.00 . A A . 8 PHE CD1 1 1 3 1064 1 1 8 PHE CD2 C -2.075 1.720 -5.646 1.00 . A A . 8 PHE CD2 1 1 3 1065 1 1 8 PHE CE1 C -4.629 1.012 -4.744 1.00 . A A . 8 PHE CE1 1 1 3 1066 1 1 8 PHE CE2 C -2.902 0.918 -6.442 1.00 . A A . 8 PHE CE2 1 1 3 1067 1 1 8 PHE CG C -2.526 2.169 -4.398 1.00 . A A . 8 PHE CG 1 1 3 1068 1 1 8 PHE CZ C -4.179 0.564 -5.991 1.00 . A A . 8 PHE CZ 1 1 3 1069 1 1 8 PHE H H -0.303 5.098 -2.596 1.00 . A A . 8 PHE H 1 1 3 1070 1 1 8 PHE HA H -2.424 4.686 -4.670 1.00 . A A . 8 PHE HA 1 1 3 1071 1 1 8 PHE HB2 H -0.610 2.935 -3.864 1.00 . A A . 8 PHE HB2 1 1 3 1072 1 1 8 PHE HB3 H -1.720 2.727 -2.508 1.00 . A A . 8 PHE HB3 1 1 3 1073 1 1 8 PHE HD1 H -4.152 2.160 -2.985 1.00 . A A . 8 PHE HD1 1 1 3 1074 1 1 8 PHE HD2 H -1.090 1.994 -5.995 1.00 . A A . 8 PHE HD2 1 1 3 1075 1 1 8 PHE HE1 H -5.615 0.739 -4.396 1.00 . A A . 8 PHE HE1 1 1 3 1076 1 1 8 PHE HE2 H -2.554 0.572 -7.404 1.00 . A A . 8 PHE HE2 1 1 3 1077 1 1 8 PHE HZ H -4.816 -0.056 -6.605 1.00 . A A . 8 PHE HZ 1 1 3 1078 1 1 8 PHE N N -0.840 5.288 -3.393 1.00 . A A . 8 PHE N 1 1 3 1079 1 1 8 PHE O O -2.884 5.367 -1.590 1.00 . A A . 8 PHE O 1 1 3 1080 1 1 9 SER C C -6.487 3.638 -1.959 1.00 . A A . 9 SER C 1 1 3 1081 1 1 9 SER CA C -5.485 4.793 -1.978 1.00 . A A . 9 SER CA 1 1 3 1082 1 1 9 SER CB C -6.145 6.067 -2.503 1.00 . A A . 9 SER CB 1 1 3 1083 1 1 9 SER H H -4.583 4.062 -3.793 1.00 . A A . 9 SER H 1 1 3 1084 1 1 9 SER HA H -5.087 4.964 -0.991 1.00 . A A . 9 SER HA 1 1 3 1085 1 1 9 SER HB2 H -7.195 6.054 -2.266 1.00 . A A . 9 SER HB2 1 1 3 1086 1 1 9 SER HB3 H -5.684 6.928 -2.038 1.00 . A A . 9 SER HB3 1 1 3 1087 1 1 9 SER HG H -6.609 6.778 -4.254 1.00 . A A . 9 SER HG 1 1 3 1088 1 1 9 SER N N -4.384 4.500 -2.939 1.00 . A A . 9 SER N 1 1 3 1089 1 1 9 SER O O -6.739 3.004 -2.966 1.00 . A A . 9 SER O 1 1 3 1090 1 1 9 SER OG O -5.986 6.132 -3.914 1.00 . A A . 9 SER OG 1 1 3 1091 1 1 10 CYS C C -9.249 2.668 0.109 1.00 . A A . 10 CYS C 1 1 3 1092 1 1 10 CYS CA C -8.048 2.246 -0.740 1.00 . A A . 10 CYS CA 1 1 3 1093 1 1 10 CYS CB C -7.292 1.096 -0.075 1.00 . A A . 10 CYS CB 1 1 3 1094 1 1 10 CYS H H -6.846 3.884 -0.023 1.00 . A A . 10 CYS H 1 1 3 1095 1 1 10 CYS HA H -8.370 1.953 -1.728 1.00 . A A . 10 CYS HA 1 1 3 1096 1 1 10 CYS HB2 H -7.060 1.361 0.946 1.00 . A A . 10 CYS HB2 1 1 3 1097 1 1 10 CYS HB3 H -7.907 0.207 -0.085 1.00 . A A . 10 CYS HB3 1 1 3 1098 1 1 10 CYS N N -7.063 3.360 -0.824 1.00 . A A . 10 CYS N 1 1 3 1099 1 1 10 CYS O O -9.143 3.547 0.941 1.00 . A A . 10 CYS O 1 1 3 1100 1 1 10 CYS SG S -5.758 0.780 -0.982 1.00 . A A . 10 CYS SG 1 1 3 1101 1 1 11 PRO C C -11.500 1.828 2.055 1.00 . A A . 11 PRO C 1 1 3 1102 1 1 11 PRO CA C -11.599 2.332 0.612 1.00 . A A . 11 PRO CA 1 1 3 1103 1 1 11 PRO CB C -12.677 1.578 -0.162 1.00 . A A . 11 PRO CB 1 1 3 1104 1 1 11 PRO CD C -10.552 0.955 -1.122 1.00 . A A . 11 PRO CD 1 1 3 1105 1 1 11 PRO CG C -11.952 0.469 -0.857 1.00 . A A . 11 PRO CG 1 1 3 1106 1 1 11 PRO HA H -11.803 3.391 0.591 1.00 . A A . 11 PRO HA 1 1 3 1107 1 1 11 PRO HB2 H -13.418 1.180 0.518 1.00 . A A . 11 PRO HB2 1 1 3 1108 1 1 11 PRO HB3 H -13.141 2.227 -0.889 1.00 . A A . 11 PRO HB3 1 1 3 1109 1 1 11 PRO HD2 H -9.839 0.156 -0.968 1.00 . A A . 11 PRO HD2 1 1 3 1110 1 1 11 PRO HD3 H -10.470 1.352 -2.121 1.00 . A A . 11 PRO HD3 1 1 3 1111 1 1 11 PRO HG2 H -11.930 -0.409 -0.227 1.00 . A A . 11 PRO HG2 1 1 3 1112 1 1 11 PRO HG3 H -12.440 0.240 -1.793 1.00 . A A . 11 PRO HG3 1 1 3 1113 1 1 11 PRO N N -10.355 2.024 -0.135 1.00 . A A . 11 PRO N 1 1 3 1114 1 1 11 PRO O O -11.091 2.546 2.946 1.00 . A A . 11 PRO O 1 1 3 1115 1 1 12 ALA C C -11.756 -1.474 3.643 1.00 . A A . 12 ALA C 1 1 3 1116 1 1 12 ALA CA C -11.799 0.056 3.680 1.00 . A A . 12 ALA CA 1 1 3 1117 1 1 12 ALA CB C -13.078 0.537 4.364 1.00 . A A . 12 ALA CB 1 1 3 1118 1 1 12 ALA H H -12.199 0.037 1.562 1.00 . A A . 12 ALA H 1 1 3 1119 1 1 12 ALA HA H -10.935 0.446 4.195 1.00 . A A . 12 ALA HA 1 1 3 1120 1 1 12 ALA HB1 H -12.972 1.577 4.635 1.00 . A A . 12 ALA HB1 1 1 3 1121 1 1 12 ALA HB2 H -13.254 -0.051 5.252 1.00 . A A . 12 ALA HB2 1 1 3 1122 1 1 12 ALA HB3 H -13.911 0.425 3.687 1.00 . A A . 12 ALA HB3 1 1 3 1123 1 1 12 ALA N N -11.872 0.600 2.294 1.00 . A A . 12 ALA N 1 1 3 1124 1 1 12 ALA O O -11.042 -2.104 4.396 1.00 . A A . 12 ALA O 1 1 3 1125 1 1 13 GLY C C -11.196 -4.050 2.109 1.00 . A A . 13 GLY C 1 1 3 1126 1 1 13 GLY CA C -12.525 -3.560 2.684 1.00 . A A . 13 GLY CA 1 1 3 1127 1 1 13 GLY H H -13.087 -1.544 2.172 1.00 . A A . 13 GLY H 1 1 3 1128 1 1 13 GLY HA2 H -12.667 -3.975 3.671 1.00 . A A . 13 GLY HA2 1 1 3 1129 1 1 13 GLY HA3 H -13.330 -3.879 2.039 1.00 . A A . 13 GLY HA3 1 1 3 1130 1 1 13 GLY N N -12.517 -2.073 2.770 1.00 . A A . 13 GLY N 1 1 3 1131 1 1 13 GLY O O -10.932 -5.235 2.057 1.00 . A A . 13 GLY O 1 1 3 1132 1 1 14 SER C C -7.894 -3.109 2.000 1.00 . A A . 14 SER C 1 1 3 1133 1 1 14 SER CA C -9.043 -3.575 1.103 1.00 . A A . 14 SER CA 1 1 3 1134 1 1 14 SER CB C -8.966 -2.894 -0.262 1.00 . A A . 14 SER CB 1 1 3 1135 1 1 14 SER H H -10.584 -2.200 1.723 1.00 . A A . 14 SER H 1 1 3 1136 1 1 14 SER HA H -9.014 -4.645 0.981 1.00 . A A . 14 SER HA 1 1 3 1137 1 1 14 SER HB2 H -9.099 -1.831 -0.145 1.00 . A A . 14 SER HB2 1 1 3 1138 1 1 14 SER HB3 H -7.995 -3.086 -0.704 1.00 . A A . 14 SER HB3 1 1 3 1139 1 1 14 SER HG H -9.593 -3.657 -1.937 1.00 . A A . 14 SER HG 1 1 3 1140 1 1 14 SER N N -10.354 -3.151 1.674 1.00 . A A . 14 SER N 1 1 3 1141 1 1 14 SER O O -8.069 -2.281 2.872 1.00 . A A . 14 SER O 1 1 3 1142 1 1 14 SER OG O -9.991 -3.404 -1.101 1.00 . A A . 14 SER OG 1 1 3 1143 1 1 15 THR C C -4.254 -3.464 1.853 1.00 . A A . 15 THR C 1 1 3 1144 1 1 15 THR CA C -5.556 -3.225 2.625 1.00 . A A . 15 THR CA 1 1 3 1145 1 1 15 THR CB C -5.623 -4.120 3.867 1.00 . A A . 15 THR CB 1 1 3 1146 1 1 15 THR CG2 C -4.258 -4.155 4.557 1.00 . A A . 15 THR CG2 1 1 3 1147 1 1 15 THR H H -6.603 -4.300 1.080 1.00 . A A . 15 THR H 1 1 3 1148 1 1 15 THR HA H -5.641 -2.189 2.911 1.00 . A A . 15 THR HA 1 1 3 1149 1 1 15 THR HB H -5.900 -5.121 3.576 1.00 . A A . 15 THR HB 1 1 3 1150 1 1 15 THR HG1 H -7.309 -3.227 4.255 1.00 . A A . 15 THR HG1 1 1 3 1151 1 1 15 THR HG21 H -3.649 -4.928 4.111 1.00 . A A . 15 THR HG21 1 1 3 1152 1 1 15 THR HG22 H -4.391 -4.363 5.608 1.00 . A A . 15 THR HG22 1 1 3 1153 1 1 15 THR HG23 H -3.771 -3.199 4.439 1.00 . A A . 15 THR HG23 1 1 3 1154 1 1 15 THR N N -6.720 -3.634 1.790 1.00 . A A . 15 THR N 1 1 3 1155 1 1 15 THR O O -4.149 -4.379 1.061 1.00 . A A . 15 THR O 1 1 3 1156 1 1 15 THR OG1 O -6.593 -3.604 4.770 1.00 . A A . 15 THR OG1 1 1 3 1157 1 1 16 CYS C C -0.868 -3.238 2.344 1.00 . A A . 16 CYS C 1 1 3 1158 1 1 16 CYS CA C -1.969 -2.835 1.359 1.00 . A A . 16 CYS CA 1 1 3 1159 1 1 16 CYS CB C -1.662 -1.474 0.732 1.00 . A A . 16 CYS CB 1 1 3 1160 1 1 16 CYS H H -3.365 -1.917 2.724 1.00 . A A . 16 CYS H 1 1 3 1161 1 1 16 CYS HA H -2.074 -3.580 0.586 1.00 . A A . 16 CYS HA 1 1 3 1162 1 1 16 CYS HB2 H -0.684 -1.502 0.273 1.00 . A A . 16 CYS HB2 1 1 3 1163 1 1 16 CYS HB3 H -2.405 -1.249 -0.019 1.00 . A A . 16 CYS HB3 1 1 3 1164 1 1 16 CYS N N -3.261 -2.650 2.080 1.00 . A A . 16 CYS N 1 1 3 1165 1 1 16 CYS O O -1.053 -3.199 3.544 1.00 . A A . 16 CYS O 1 1 3 1166 1 1 16 CYS SG S -1.693 -0.196 2.011 1.00 . A A . 16 CYS SG 1 1 3 1167 1 1 17 SER C C 2.585 -3.117 2.596 1.00 . A A . 17 SER C 1 1 3 1168 1 1 17 SER CA C 1.376 -4.042 2.760 1.00 . A A . 17 SER CA 1 1 3 1169 1 1 17 SER CB C 1.728 -5.465 2.333 1.00 . A A . 17 SER CB 1 1 3 1170 1 1 17 SER H H 0.401 -3.660 0.875 1.00 . A A . 17 SER H 1 1 3 1171 1 1 17 SER HA H 1.037 -4.041 3.784 1.00 . A A . 17 SER HA 1 1 3 1172 1 1 17 SER HB2 H 0.834 -5.984 2.031 1.00 . A A . 17 SER HB2 1 1 3 1173 1 1 17 SER HB3 H 2.419 -5.429 1.500 1.00 . A A . 17 SER HB3 1 1 3 1174 1 1 17 SER HG H 1.933 -5.809 4.236 1.00 . A A . 17 SER HG 1 1 3 1175 1 1 17 SER N N 0.272 -3.630 1.847 1.00 . A A . 17 SER N 1 1 3 1176 1 1 17 SER O O 3.373 -2.948 3.505 1.00 . A A . 17 SER O 1 1 3 1177 1 1 17 SER OG O 2.321 -6.151 3.428 1.00 . A A . 17 SER OG 1 1 3 1178 1 1 18 SER C C 5.213 -2.370 1.472 1.00 . A A . 18 SER C 1 1 3 1179 1 1 18 SER CA C 3.905 -1.611 1.233 1.00 . A A . 18 SER CA 1 1 3 1180 1 1 18 SER CB C 3.734 -0.505 2.274 1.00 . A A . 18 SER CB 1 1 3 1181 1 1 18 SER H H 2.097 -2.670 0.722 1.00 . A A . 18 SER H 1 1 3 1182 1 1 18 SER HA H 3.883 -1.192 0.240 1.00 . A A . 18 SER HA 1 1 3 1183 1 1 18 SER HB2 H 3.175 -0.882 3.114 1.00 . A A . 18 SER HB2 1 1 3 1184 1 1 18 SER HB3 H 4.707 -0.176 2.610 1.00 . A A . 18 SER HB3 1 1 3 1185 1 1 18 SER HG H 2.099 0.342 1.646 1.00 . A A . 18 SER HG 1 1 3 1186 1 1 18 SER N N 2.741 -2.521 1.445 1.00 . A A . 18 SER N 1 1 3 1187 1 1 18 SER O O 5.507 -2.785 2.575 1.00 . A A . 18 SER O 1 1 3 1188 1 1 18 SER OG O 3.027 0.582 1.692 1.00 . A A . 18 SER OG 1 1 3 1189 1 1 19 ALA C C 8.299 -2.896 -0.442 1.00 . A A . 19 ALA C 1 1 3 1190 1 1 19 ALA CA C 7.285 -3.298 0.632 1.00 . A A . 19 ALA CA 1 1 3 1191 1 1 19 ALA CB C 6.915 -4.773 0.486 1.00 . A A . 19 ALA CB 1 1 3 1192 1 1 19 ALA H H 5.751 -2.223 -0.436 1.00 . A A . 19 ALA H 1 1 3 1193 1 1 19 ALA HA H 7.686 -3.112 1.614 1.00 . A A . 19 ALA HA 1 1 3 1194 1 1 19 ALA HB1 H 7.810 -5.354 0.313 1.00 . A A . 19 ALA HB1 1 1 3 1195 1 1 19 ALA HB2 H 6.242 -4.894 -0.350 1.00 . A A . 19 ALA HB2 1 1 3 1196 1 1 19 ALA HB3 H 6.433 -5.115 1.391 1.00 . A A . 19 ALA HB3 1 1 3 1197 1 1 19 ALA N N 6.002 -2.561 0.448 1.00 . A A . 19 ALA N 1 1 3 1198 1 1 19 ALA O O 8.065 -2.001 -1.231 1.00 . A A . 19 ALA O 1 1 3 1199 1 1 20 PHE C C 11.294 -4.458 -1.828 1.00 . A A . 20 PHE C 1 1 3 1200 1 1 20 PHE CA C 10.464 -3.215 -1.493 1.00 . A A . 20 PHE CA 1 1 3 1201 1 1 20 PHE CB C 11.348 -2.148 -0.839 1.00 . A A . 20 PHE CB 1 1 3 1202 1 1 20 PHE CD1 C 9.900 -0.094 -0.604 1.00 . A A . 20 PHE CD1 1 1 3 1203 1 1 20 PHE CD2 C 10.311 -1.464 1.354 1.00 . A A . 20 PHE CD2 1 1 3 1204 1 1 20 PHE CE1 C 9.112 0.768 0.166 1.00 . A A . 20 PHE CE1 1 1 3 1205 1 1 20 PHE CE2 C 9.523 -0.601 2.124 1.00 . A A . 20 PHE CE2 1 1 3 1206 1 1 20 PHE CG C 10.500 -1.211 -0.009 1.00 . A A . 20 PHE CG 1 1 3 1207 1 1 20 PHE CZ C 8.923 0.515 1.530 1.00 . A A . 20 PHE CZ 1 1 3 1208 1 1 20 PHE H H 9.594 -4.271 0.174 1.00 . A A . 20 PHE H 1 1 3 1209 1 1 20 PHE HA H 10.002 -2.817 -2.382 1.00 . A A . 20 PHE HA 1 1 3 1210 1 1 20 PHE HB2 H 12.078 -2.626 -0.203 1.00 . A A . 20 PHE HB2 1 1 3 1211 1 1 20 PHE HB3 H 11.856 -1.585 -1.608 1.00 . A A . 20 PHE HB3 1 1 3 1212 1 1 20 PHE HD1 H 10.046 0.102 -1.657 1.00 . A A . 20 PHE HD1 1 1 3 1213 1 1 20 PHE HD2 H 10.773 -2.325 1.812 1.00 . A A . 20 PHE HD2 1 1 3 1214 1 1 20 PHE HE1 H 8.649 1.628 -0.290 1.00 . A A . 20 PHE HE1 1 1 3 1215 1 1 20 PHE HE2 H 9.377 -0.796 3.176 1.00 . A A . 20 PHE HE2 1 1 3 1216 1 1 20 PHE HZ H 8.314 1.181 2.124 1.00 . A A . 20 PHE HZ 1 1 3 1217 1 1 20 PHE N N 9.427 -3.554 -0.474 1.00 . A A . 20 PHE N 1 1 3 1218 1 1 20 PHE O O 11.308 -4.923 -2.951 1.00 . A A . 20 PHE O 1 1 3 1219 1 1 21 GLY C C 14.143 -6.087 -0.366 1.00 . A A . 21 GLY C 1 1 3 1220 1 1 21 GLY CA C 12.818 -6.206 -1.121 1.00 . A A . 21 GLY CA 1 1 3 1221 1 1 21 GLY H H 11.962 -4.604 0.036 1.00 . A A . 21 GLY H 1 1 3 1222 1 1 21 GLY HA2 H 12.287 -7.085 -0.784 1.00 . A A . 21 GLY HA2 1 1 3 1223 1 1 21 GLY HA3 H 13.016 -6.288 -2.178 1.00 . A A . 21 GLY HA3 1 1 3 1224 1 1 21 GLY N N 11.987 -4.996 -0.862 1.00 . A A . 21 GLY N 1 1 3 1225 1 1 21 GLY O O 14.270 -5.322 0.568 1.00 . A A . 21 GLY O 1 1 3 1226 1 1 22 PHE C C 17.030 -5.356 -0.176 1.00 . A A . 22 PHE C 1 1 3 1227 1 1 22 PHE CA C 16.448 -6.770 -0.066 1.00 . A A . 22 PHE CA 1 1 3 1228 1 1 22 PHE CB C 17.338 -7.784 -0.789 1.00 . A A . 22 PHE CB 1 1 3 1229 1 1 22 PHE CD1 C 16.906 -7.317 -3.229 1.00 . A A . 22 PHE CD1 1 1 3 1230 1 1 22 PHE CD2 C 19.021 -6.624 -2.265 1.00 . A A . 22 PHE CD2 1 1 3 1231 1 1 22 PHE CE1 C 17.304 -6.803 -4.469 1.00 . A A . 22 PHE CE1 1 1 3 1232 1 1 22 PHE CE2 C 19.418 -6.110 -3.506 1.00 . A A . 22 PHE CE2 1 1 3 1233 1 1 22 PHE CG C 17.765 -7.227 -2.128 1.00 . A A . 22 PHE CG 1 1 3 1234 1 1 22 PHE CZ C 18.559 -6.199 -4.608 1.00 . A A . 22 PHE CZ 1 1 3 1235 1 1 22 PHE H H 15.010 -7.453 -1.518 1.00 . A A . 22 PHE H 1 1 3 1236 1 1 22 PHE HA H 16.340 -7.050 0.970 1.00 . A A . 22 PHE HA 1 1 3 1237 1 1 22 PHE HB2 H 18.213 -7.987 -0.189 1.00 . A A . 22 PHE HB2 1 1 3 1238 1 1 22 PHE HB3 H 16.788 -8.700 -0.942 1.00 . A A . 22 PHE HB3 1 1 3 1239 1 1 22 PHE HD1 H 15.938 -7.782 -3.123 1.00 . A A . 22 PHE HD1 1 1 3 1240 1 1 22 PHE HD2 H 19.683 -6.555 -1.415 1.00 . A A . 22 PHE HD2 1 1 3 1241 1 1 22 PHE HE1 H 16.641 -6.872 -5.320 1.00 . A A . 22 PHE HE1 1 1 3 1242 1 1 22 PHE HE2 H 20.387 -5.644 -3.613 1.00 . A A . 22 PHE HE2 1 1 3 1243 1 1 22 PHE HZ H 18.865 -5.802 -5.565 1.00 . A A . 22 PHE HZ 1 1 3 1244 1 1 22 PHE N N 15.132 -6.841 -0.763 1.00 . A A . 22 PHE N 1 1 3 1245 1 1 22 PHE O O 17.913 -4.980 0.568 1.00 . A A . 22 PHE O 1 1 3 1246 1 1 23 ARG C C 16.382 -2.248 -0.247 1.00 . A A . 23 ARG C 1 1 3 1247 1 1 23 ARG CA C 17.066 -3.183 -1.248 1.00 . A A . 23 ARG CA 1 1 3 1248 1 1 23 ARG CB C 16.721 -2.778 -2.683 1.00 . A A . 23 ARG CB 1 1 3 1249 1 1 23 ARG CD C 17.685 -2.480 -4.971 1.00 . A A . 23 ARG CD 1 1 3 1250 1 1 23 ARG CG C 18.013 -2.596 -3.482 1.00 . A A . 23 ARG CG 1 1 3 1251 1 1 23 ARG CZ C 19.426 -2.227 -6.635 1.00 . A A . 23 ARG CZ 1 1 3 1252 1 1 23 ARG H H 15.825 -4.892 -1.686 1.00 . A A . 23 ARG H 1 1 3 1253 1 1 23 ARG HA H 18.135 -3.169 -1.108 1.00 . A A . 23 ARG HA 1 1 3 1254 1 1 23 ARG HB2 H 16.117 -3.548 -3.140 1.00 . A A . 23 ARG HB2 1 1 3 1255 1 1 23 ARG HB3 H 16.173 -1.848 -2.671 1.00 . A A . 23 ARG HB3 1 1 3 1256 1 1 23 ARG HD2 H 16.846 -3.117 -5.221 1.00 . A A . 23 ARG HD2 1 1 3 1257 1 1 23 ARG HD3 H 17.472 -1.455 -5.233 1.00 . A A . 23 ARG HD3 1 1 3 1258 1 1 23 ARG HE H 19.347 -3.780 -5.401 1.00 . A A . 23 ARG HE 1 1 3 1259 1 1 23 ARG HG2 H 18.515 -1.699 -3.152 1.00 . A A . 23 ARG HG2 1 1 3 1260 1 1 23 ARG HG3 H 18.656 -3.448 -3.323 1.00 . A A . 23 ARG HG3 1 1 3 1261 1 1 23 ARG HH11 H 19.925 -0.695 -5.449 1.00 . A A . 23 ARG HH11 1 1 3 1262 1 1 23 ARG HH12 H 20.320 -0.503 -7.124 1.00 . A A . 23 ARG HH12 1 1 3 1263 1 1 23 ARG HH21 H 19.049 -3.594 -8.049 1.00 . A A . 23 ARG HH21 1 1 3 1264 1 1 23 ARG HH22 H 19.824 -2.145 -8.596 1.00 . A A . 23 ARG HH22 1 1 3 1265 1 1 23 ARG N N 16.540 -4.571 -1.097 1.00 . A A . 23 ARG N 1 1 3 1266 1 1 23 ARG NE N 18.917 -2.941 -5.668 1.00 . A A . 23 ARG NE 1 1 3 1267 1 1 23 ARG NH1 N 19.930 -1.050 -6.383 1.00 . A A . 23 ARG NH1 1 1 3 1268 1 1 23 ARG NH2 N 19.434 -2.692 -7.855 1.00 . A A . 23 ARG NH2 1 1 3 1269 1 1 23 ARG O O 17.018 -1.436 0.394 1.00 . A A . 23 ARG O 1 1 3 1270 1 1 24 ASN C C 14.397 -0.024 0.381 1.00 . A A . 24 ASN C 1 1 3 1271 1 1 24 ASN CA C 14.362 -1.479 0.854 1.00 . A A . 24 ASN CA 1 1 3 1272 1 1 24 ASN CB C 15.114 -1.631 2.177 1.00 . A A . 24 ASN CB 1 1 3 1273 1 1 24 ASN CG C 14.124 -1.970 3.293 1.00 . A A . 24 ASN CG 1 1 3 1274 1 1 24 ASN H H 14.595 -3.023 -0.634 1.00 . A A . 24 ASN H 1 1 3 1275 1 1 24 ASN HA H 13.343 -1.812 0.971 1.00 . A A . 24 ASN HA 1 1 3 1276 1 1 24 ASN HB2 H 15.842 -2.425 2.088 1.00 . A A . 24 ASN HB2 1 1 3 1277 1 1 24 ASN HB3 H 15.616 -0.705 2.414 1.00 . A A . 24 ASN HB3 1 1 3 1278 1 1 24 ASN HD21 H 14.583 -0.372 4.378 1.00 . A A . 24 ASN HD21 1 1 3 1279 1 1 24 ASN HD22 H 13.395 -1.383 5.044 1.00 . A A . 24 ASN HD22 1 1 3 1280 1 1 24 ASN N N 15.089 -2.359 -0.107 1.00 . A A . 24 ASN N 1 1 3 1281 1 1 24 ASN ND2 N 14.026 -1.176 4.324 1.00 . A A . 24 ASN ND2 1 1 3 1282 1 1 24 ASN O O 14.568 0.889 1.163 1.00 . A A . 24 ASN O 1 1 3 1283 1 1 24 ASN OD1 O 13.434 -2.967 3.227 1.00 . A A . 24 ASN OD1 1 1 3 1284 1 1 25 LEU C C 13.465 1.692 -2.724 1.00 . A A . 25 LEU C 1 1 3 1285 1 1 25 LEU CA C 14.256 1.599 -1.415 1.00 . A A . 25 LEU CA 1 1 3 1286 1 1 25 LEU CB C 15.734 1.921 -1.655 1.00 . A A . 25 LEU CB 1 1 3 1287 1 1 25 LEU CD1 C 15.789 0.409 -3.645 1.00 . A A . 25 LEU CD1 1 1 3 1288 1 1 25 LEU CD2 C 17.913 1.041 -2.495 1.00 . A A . 25 LEU CD2 1 1 3 1289 1 1 25 LEU CG C 16.432 0.717 -2.291 1.00 . A A . 25 LEU CG 1 1 3 1290 1 1 25 LEU H H 14.096 -0.549 -1.511 1.00 . A A . 25 LEU H 1 1 3 1291 1 1 25 LEU HA H 13.847 2.278 -0.682 1.00 . A A . 25 LEU HA 1 1 3 1292 1 1 25 LEU HB2 H 15.813 2.773 -2.315 1.00 . A A . 25 LEU HB2 1 1 3 1293 1 1 25 LEU HB3 H 16.208 2.153 -0.713 1.00 . A A . 25 LEU HB3 1 1 3 1294 1 1 25 LEU HD11 H 15.446 1.327 -4.098 1.00 . A A . 25 LEU HD11 1 1 3 1295 1 1 25 LEU HD12 H 14.950 -0.257 -3.502 1.00 . A A . 25 LEU HD12 1 1 3 1296 1 1 25 LEU HD13 H 16.516 -0.061 -4.291 1.00 . A A . 25 LEU HD13 1 1 3 1297 1 1 25 LEU HD21 H 18.172 0.899 -3.534 1.00 . A A . 25 LEU HD21 1 1 3 1298 1 1 25 LEU HD22 H 18.514 0.386 -1.881 1.00 . A A . 25 LEU HD22 1 1 3 1299 1 1 25 LEU HD23 H 18.099 2.068 -2.214 1.00 . A A . 25 LEU HD23 1 1 3 1300 1 1 25 LEU HG H 16.334 -0.141 -1.642 1.00 . A A . 25 LEU HG 1 1 3 1301 1 1 25 LEU N N 14.235 0.201 -0.895 1.00 . A A . 25 LEU N 1 1 3 1302 1 1 25 LEU O O 13.621 2.623 -3.489 1.00 . A A . 25 LEU O 1 1 3 1303 1 1 26 SER C C 10.383 0.308 -3.968 1.00 . A A . 26 SER C 1 1 3 1304 1 1 26 SER CA C 11.816 0.770 -4.244 1.00 . A A . 26 SER CA 1 1 3 1305 1 1 26 SER CB C 12.518 -0.203 -5.190 1.00 . A A . 26 SER CB 1 1 3 1306 1 1 26 SER H H 12.506 -0.006 -2.356 1.00 . A A . 26 SER H 1 1 3 1307 1 1 26 SER HA H 11.819 1.762 -4.666 1.00 . A A . 26 SER HA 1 1 3 1308 1 1 26 SER HB2 H 11.815 -0.570 -5.919 1.00 . A A . 26 SER HB2 1 1 3 1309 1 1 26 SER HB3 H 13.324 0.310 -5.698 1.00 . A A . 26 SER HB3 1 1 3 1310 1 1 26 SER HG H 12.291 -1.739 -4.020 1.00 . A A . 26 SER HG 1 1 3 1311 1 1 26 SER N N 12.617 0.735 -2.986 1.00 . A A . 26 SER N 1 1 3 1312 1 1 26 SER O O 10.082 -0.870 -3.999 1.00 . A A . 26 SER O 1 1 3 1313 1 1 26 SER OG O 13.031 -1.296 -4.441 1.00 . A A . 26 SER OG 1 1 3 1314 1 1 27 LEU C C 7.557 -0.082 -4.524 1.00 . A A . 27 LEU C 1 1 3 1315 1 1 27 LEU CA C 8.082 0.844 -3.422 1.00 . A A . 27 LEU CA 1 1 3 1316 1 1 27 LEU CB C 7.313 2.165 -3.417 1.00 . A A . 27 LEU CB 1 1 3 1317 1 1 27 LEU CD1 C 7.932 3.530 -1.419 1.00 . A A . 27 LEU CD1 1 1 3 1318 1 1 27 LEU CD2 C 5.528 3.141 -1.971 1.00 . A A . 27 LEU CD2 1 1 3 1319 1 1 27 LEU CG C 6.928 2.525 -1.982 1.00 . A A . 27 LEU CG 1 1 3 1320 1 1 27 LEU H H 9.761 2.170 -3.680 1.00 . A A . 27 LEU H 1 1 3 1321 1 1 27 LEU HA H 8.003 0.366 -2.458 1.00 . A A . 27 LEU HA 1 1 3 1322 1 1 27 LEU HB2 H 7.935 2.945 -3.830 1.00 . A A . 27 LEU HB2 1 1 3 1323 1 1 27 LEU HB3 H 6.419 2.063 -4.013 1.00 . A A . 27 LEU HB3 1 1 3 1324 1 1 27 LEU HD11 H 7.801 4.484 -1.908 1.00 . A A . 27 LEU HD11 1 1 3 1325 1 1 27 LEU HD12 H 8.936 3.172 -1.591 1.00 . A A . 27 LEU HD12 1 1 3 1326 1 1 27 LEU HD13 H 7.770 3.645 -0.357 1.00 . A A . 27 LEU HD13 1 1 3 1327 1 1 27 LEU HD21 H 5.247 3.377 -0.956 1.00 . A A . 27 LEU HD21 1 1 3 1328 1 1 27 LEU HD22 H 4.822 2.437 -2.385 1.00 . A A . 27 LEU HD22 1 1 3 1329 1 1 27 LEU HD23 H 5.528 4.044 -2.564 1.00 . A A . 27 LEU HD23 1 1 3 1330 1 1 27 LEU HG H 6.935 1.632 -1.373 1.00 . A A . 27 LEU HG 1 1 3 1331 1 1 27 LEU N N 9.496 1.226 -3.700 1.00 . A A . 27 LEU N 1 1 3 1332 1 1 27 LEU O O 7.535 0.273 -5.686 1.00 . A A . 27 LEU O 1 1 3 1333 1 1 28 VAL C C 5.345 -2.908 -4.696 1.00 . A A . 28 VAL C 1 1 3 1334 1 1 28 VAL CA C 6.617 -2.214 -5.199 1.00 . A A . 28 VAL CA 1 1 3 1335 1 1 28 VAL CB C 7.743 -3.228 -5.400 1.00 . A A . 28 VAL CB 1 1 3 1336 1 1 28 VAL CG1 C 7.908 -4.070 -4.133 1.00 . A A . 28 VAL CG1 1 1 3 1337 1 1 28 VAL CG2 C 7.404 -4.143 -6.579 1.00 . A A . 28 VAL CG2 1 1 3 1338 1 1 28 VAL H H 7.167 -1.535 -3.228 1.00 . A A . 28 VAL H 1 1 3 1339 1 1 28 VAL HA H 6.422 -1.694 -6.124 1.00 . A A . 28 VAL HA 1 1 3 1340 1 1 28 VAL HB H 8.667 -2.705 -5.602 1.00 . A A . 28 VAL HB 1 1 3 1341 1 1 28 VAL HG11 H 7.190 -3.747 -3.392 1.00 . A A . 28 VAL HG11 1 1 3 1342 1 1 28 VAL HG12 H 8.908 -3.945 -3.745 1.00 . A A . 28 VAL HG12 1 1 3 1343 1 1 28 VAL HG13 H 7.740 -5.111 -4.368 1.00 . A A . 28 VAL HG13 1 1 3 1344 1 1 28 VAL HG21 H 7.766 -5.140 -6.378 1.00 . A A . 28 VAL HG21 1 1 3 1345 1 1 28 VAL HG22 H 7.874 -3.764 -7.475 1.00 . A A . 28 VAL HG22 1 1 3 1346 1 1 28 VAL HG23 H 6.333 -4.169 -6.717 1.00 . A A . 28 VAL HG23 1 1 3 1347 1 1 28 VAL N N 7.137 -1.267 -4.170 1.00 . A A . 28 VAL N 1 1 3 1348 1 1 28 VAL O O 5.354 -4.080 -4.371 1.00 . A A . 28 VAL O 1 1 3 1349 1 1 29 TRP C C 1.778 -1.960 -4.535 1.00 . A A . 29 TRP C 1 1 3 1350 1 1 29 TRP CA C 2.983 -2.826 -4.151 1.00 . A A . 29 TRP CA 1 1 3 1351 1 1 29 TRP CB C 3.127 -2.896 -2.631 1.00 . A A . 29 TRP CB 1 1 3 1352 1 1 29 TRP CD1 C 4.609 -0.943 -2.016 1.00 . A A . 29 TRP CD1 1 1 3 1353 1 1 29 TRP CD2 C 2.442 -0.565 -1.554 1.00 . A A . 29 TRP CD2 1 1 3 1354 1 1 29 TRP CE2 C 3.149 0.595 -1.161 1.00 . A A . 29 TRP CE2 1 1 3 1355 1 1 29 TRP CE3 C 1.048 -0.586 -1.369 1.00 . A A . 29 TRP CE3 1 1 3 1356 1 1 29 TRP CG C 3.392 -1.527 -2.091 1.00 . A A . 29 TRP CG 1 1 3 1357 1 1 29 TRP CH2 C 1.111 1.658 -0.428 1.00 . A A . 29 TRP CH2 1 1 3 1358 1 1 29 TRP CZ2 C 2.496 1.697 -0.605 1.00 . A A . 29 TRP CZ2 1 1 3 1359 1 1 29 TRP CZ3 C 0.388 0.518 -0.810 1.00 . A A . 29 TRP CZ3 1 1 3 1360 1 1 29 TRP H H 4.260 -1.255 -4.900 1.00 . A A . 29 TRP H 1 1 3 1361 1 1 29 TRP HA H 2.877 -3.820 -4.556 1.00 . A A . 29 TRP HA 1 1 3 1362 1 1 29 TRP HB2 H 2.215 -3.281 -2.200 1.00 . A A . 29 TRP HB2 1 1 3 1363 1 1 29 TRP HB3 H 3.949 -3.548 -2.376 1.00 . A A . 29 TRP HB3 1 1 3 1364 1 1 29 TRP HD1 H 5.539 -1.389 -2.334 1.00 . A A . 29 TRP HD1 1 1 3 1365 1 1 29 TRP HE1 H 5.197 0.944 -1.297 1.00 . A A . 29 TRP HE1 1 1 3 1366 1 1 29 TRP HE3 H 0.483 -1.459 -1.659 1.00 . A A . 29 TRP HE3 1 1 3 1367 1 1 29 TRP HH2 H 0.597 2.504 0.000 1.00 . A A . 29 TRP HH2 1 1 3 1368 1 1 29 TRP HZ2 H 3.058 2.572 -0.313 1.00 . A A . 29 TRP HZ2 1 1 3 1369 1 1 29 TRP HZ3 H -0.683 0.492 -0.672 1.00 . A A . 29 TRP HZ3 1 1 3 1370 1 1 29 TRP N N 4.251 -2.199 -4.632 1.00 . A A . 29 TRP N 1 1 3 1371 1 1 29 TRP NE1 N 4.467 0.315 -1.463 1.00 . A A . 29 TRP NE1 1 1 3 1372 1 1 29 TRP O O 1.856 -1.127 -5.416 1.00 . A A . 29 TRP O 1 1 3 1373 1 1 30 GLY C C -1.620 -1.568 -3.142 1.00 . A A . 30 GLY C 1 1 3 1374 1 1 30 GLY CA C -0.544 -1.341 -4.207 1.00 . A A . 30 GLY CA 1 1 3 1375 1 1 30 GLY H H 0.623 -2.829 -3.172 1.00 . A A . 30 GLY H 1 1 3 1376 1 1 30 GLY HA2 H -0.276 -0.294 -4.233 1.00 . A A . 30 GLY HA2 1 1 3 1377 1 1 30 GLY HA3 H -0.928 -1.639 -5.170 1.00 . A A . 30 GLY HA3 1 1 3 1378 1 1 30 GLY N N 0.664 -2.152 -3.879 1.00 . A A . 30 GLY N 1 1 3 1379 1 1 30 GLY O O -1.540 -1.053 -2.045 1.00 . A A . 30 GLY O 1 1 3 1380 1 1 31 CYS C C -4.331 -3.974 -2.712 1.00 . A A . 31 CYS C 1 1 3 1381 1 1 31 CYS CA C -3.710 -2.596 -2.465 1.00 . A A . 31 CYS CA 1 1 3 1382 1 1 31 CYS CB C -4.744 -1.493 -2.703 1.00 . A A . 31 CYS CB 1 1 3 1383 1 1 31 CYS H H -2.673 -2.740 -4.350 1.00 . A A . 31 CYS H 1 1 3 1384 1 1 31 CYS HA H -3.325 -2.529 -1.460 1.00 . A A . 31 CYS HA 1 1 3 1385 1 1 31 CYS HB2 H -4.237 -0.578 -2.973 1.00 . A A . 31 CYS HB2 1 1 3 1386 1 1 31 CYS HB3 H -5.405 -1.787 -3.504 1.00 . A A . 31 CYS HB3 1 1 3 1387 1 1 31 CYS N N -2.628 -2.335 -3.459 1.00 . A A . 31 CYS N 1 1 3 1388 1 1 31 CYS O O -4.102 -4.594 -3.730 1.00 . A A . 31 CYS O 1 1 3 1389 1 1 31 CYS SG S -5.704 -1.229 -1.192 1.00 . A A . 31 CYS SG 1 1 3 1390 1 1 32 SER C C -6.953 -5.937 -1.038 1.00 . A A . 32 SER C 1 1 3 1391 1 1 32 SER CA C -5.745 -5.795 -1.968 1.00 . A A . 32 SER CA 1 1 3 1392 1 1 32 SER CB C -4.655 -6.799 -1.595 1.00 . A A . 32 SER CB 1 1 3 1393 1 1 32 SER H H -5.284 -3.941 -0.972 1.00 . A A . 32 SER H 1 1 3 1394 1 1 32 SER HA H -6.041 -5.936 -2.996 1.00 . A A . 32 SER HA 1 1 3 1395 1 1 32 SER HB2 H -3.704 -6.298 -1.541 1.00 . A A . 32 SER HB2 1 1 3 1396 1 1 32 SER HB3 H -4.885 -7.237 -0.632 1.00 . A A . 32 SER HB3 1 1 3 1397 1 1 32 SER HG H -4.769 -8.656 -2.164 1.00 . A A . 32 SER HG 1 1 3 1398 1 1 32 SER N N -5.113 -4.457 -1.786 1.00 . A A . 32 SER N 1 1 3 1399 1 1 32 SER O O -6.985 -5.359 0.031 1.00 . A A . 32 SER O 1 1 3 1400 1 1 32 SER OG O -4.592 -7.814 -2.589 1.00 . A A . 32 SER OG 1 1 3 1401 1 1 33 PRO C C -8.852 -7.867 0.488 1.00 . A A . 33 PRO C 1 1 3 1402 1 1 33 PRO CA C -9.140 -6.927 -0.684 1.00 . A A . 33 PRO CA 1 1 3 1403 1 1 33 PRO CB C -10.099 -7.576 -1.678 1.00 . A A . 33 PRO CB 1 1 3 1404 1 1 33 PRO CD C -7.937 -7.430 -2.756 1.00 . A A . 33 PRO CD 1 1 3 1405 1 1 33 PRO CG C -9.220 -8.222 -2.702 1.00 . A A . 33 PRO CG 1 1 3 1406 1 1 33 PRO HA H -9.545 -5.991 -0.336 1.00 . A A . 33 PRO HA 1 1 3 1407 1 1 33 PRO HB2 H -10.708 -8.318 -1.180 1.00 . A A . 33 PRO HB2 1 1 3 1408 1 1 33 PRO HB3 H -10.721 -6.829 -2.145 1.00 . A A . 33 PRO HB3 1 1 3 1409 1 1 33 PRO HD2 H -7.087 -8.094 -2.835 1.00 . A A . 33 PRO HD2 1 1 3 1410 1 1 33 PRO HD3 H -7.955 -6.735 -3.580 1.00 . A A . 33 PRO HD3 1 1 3 1411 1 1 33 PRO HG2 H -9.012 -9.244 -2.416 1.00 . A A . 33 PRO HG2 1 1 3 1412 1 1 33 PRO HG3 H -9.700 -8.200 -3.668 1.00 . A A . 33 PRO HG3 1 1 3 1413 1 1 33 PRO N N -7.911 -6.704 -1.482 1.00 . A A . 33 PRO N 1 1 3 1414 1 1 33 PRO O O -7.971 -8.701 0.425 1.00 . A A . 33 PRO O 1 1 3 1415 1 1 34 VAL C C -10.436 -9.709 2.802 1.00 . A A . 34 VAL C 1 1 3 1416 1 1 34 VAL CA C -9.354 -8.626 2.733 1.00 . A A . 34 VAL CA 1 1 3 1417 1 1 34 VAL CB C -9.439 -7.699 3.946 1.00 . A A . 34 VAL CB 1 1 3 1418 1 1 34 VAL CG1 C -10.861 -7.149 4.068 1.00 . A A . 34 VAL CG1 1 1 3 1419 1 1 34 VAL CG2 C -9.084 -8.480 5.214 1.00 . A A . 34 VAL CG2 1 1 3 1420 1 1 34 VAL H H -10.294 -7.061 1.588 1.00 . A A . 34 VAL H 1 1 3 1421 1 1 34 VAL HA H -8.375 -9.074 2.679 1.00 . A A . 34 VAL HA 1 1 3 1422 1 1 34 VAL HB H -8.747 -6.879 3.820 1.00 . A A . 34 VAL HB 1 1 3 1423 1 1 34 VAL HG11 H -11.446 -7.475 3.221 1.00 . A A . 34 VAL HG11 1 1 3 1424 1 1 34 VAL HG12 H -10.829 -6.070 4.089 1.00 . A A . 34 VAL HG12 1 1 3 1425 1 1 34 VAL HG13 H -11.311 -7.514 4.978 1.00 . A A . 34 VAL HG13 1 1 3 1426 1 1 34 VAL HG21 H -9.991 -8.823 5.690 1.00 . A A . 34 VAL HG21 1 1 3 1427 1 1 34 VAL HG22 H -8.543 -7.837 5.892 1.00 . A A . 34 VAL HG22 1 1 3 1428 1 1 34 VAL HG23 H -8.470 -9.329 4.953 1.00 . A A . 34 VAL HG23 1 1 3 1429 1 1 34 VAL N N -9.588 -7.740 1.557 1.00 . A A . 34 VAL N 1 1 3 1430 1 1 34 VAL O O -11.053 -9.919 3.827 1.00 . A A . 34 VAL O 1 1 3 1431 1 1 35 GLU C C -11.426 -12.475 2.833 1.00 . A A . 35 GLU C 1 1 3 1432 1 1 35 GLU CA C -11.709 -11.466 1.719 1.00 . A A . 35 GLU CA 1 1 3 1433 1 1 35 GLU CB C -11.594 -12.135 0.349 1.00 . A A . 35 GLU CB 1 1 3 1434 1 1 35 GLU CD C -12.488 -13.990 -1.069 1.00 . A A . 35 GLU CD 1 1 3 1435 1 1 35 GLU CG C -12.366 -13.457 0.359 1.00 . A A . 35 GLU CG 1 1 3 1436 1 1 35 GLU H H -10.158 -10.212 0.901 1.00 . A A . 35 GLU H 1 1 3 1437 1 1 35 GLU HA H -12.691 -11.037 1.838 1.00 . A A . 35 GLU HA 1 1 3 1438 1 1 35 GLU HB2 H -12.008 -11.482 -0.406 1.00 . A A . 35 GLU HB2 1 1 3 1439 1 1 35 GLU HB3 H -10.556 -12.329 0.127 1.00 . A A . 35 GLU HB3 1 1 3 1440 1 1 35 GLU HG2 H -11.837 -14.177 0.969 1.00 . A A . 35 GLU HG2 1 1 3 1441 1 1 35 GLU HG3 H -13.352 -13.295 0.767 1.00 . A A . 35 GLU HG3 1 1 3 1442 1 1 35 GLU N N -10.669 -10.397 1.717 1.00 . A A . 35 GLU N 1 1 3 1443 1 1 35 GLU O O -10.652 -13.388 2.597 1.00 . A A . 35 GLU O 1 1 3 1444 1 1 35 GLU OXT O -11.989 -12.320 3.903 1.00 . A A . 35 GLU OXT 1 1 3 1445 1 1 35 GLU OE1 O -11.512 -13.910 -1.797 1.00 . A A . 35 GLU OE1 1 1 3 1446 1 1 35 GLU OE2 O -13.556 -14.472 -1.412 1.00 . A A . 35 GLU OE2 1 1 4 1447 1 1 1 ASP C C -10.350 6.217 2.731 1.00 . A A . 1 ASP C 1 1 4 1448 1 1 1 ASP CA C -11.677 6.242 1.969 1.00 . A A . 1 ASP CA 1 1 4 1449 1 1 1 ASP CB C -11.568 7.133 0.730 1.00 . A A . 1 ASP CB 1 1 4 1450 1 1 1 ASP CG C -11.050 6.309 -0.450 1.00 . A A . 1 ASP CG 1 1 4 1451 1 1 1 ASP H1 H -12.316 7.589 3.425 1.00 . A A . 1 ASP H1 1 1 4 1452 1 1 1 ASP H2 H -13.204 6.142 3.384 1.00 . A A . 1 ASP H2 1 1 4 1453 1 1 1 ASP H3 H -13.446 7.323 2.186 1.00 . A A . 1 ASP H3 1 1 4 1454 1 1 1 ASP HA H -11.966 5.245 1.681 1.00 . A A . 1 ASP HA 1 1 4 1455 1 1 1 ASP HB2 H -12.541 7.536 0.490 1.00 . A A . 1 ASP HB2 1 1 4 1456 1 1 1 ASP HB3 H -10.882 7.942 0.929 1.00 . A A . 1 ASP HB3 1 1 4 1457 1 1 1 ASP N N -12.741 6.872 2.804 1.00 . A A . 1 ASP N 1 1 4 1458 1 1 1 ASP O O -10.028 7.129 3.467 1.00 . A A . 1 ASP O 1 1 4 1459 1 1 1 ASP OD1 O -10.884 5.112 -0.285 1.00 . A A . 1 ASP OD1 1 1 4 1460 1 1 1 ASP OD2 O -10.830 6.890 -1.501 1.00 . A A . 1 ASP OD2 1 1 4 1461 1 1 2 HIS C C -7.130 5.486 2.332 1.00 . A A . 2 HIS C 1 1 4 1462 1 1 2 HIS CA C -8.271 5.096 3.275 1.00 . A A . 2 HIS CA 1 1 4 1463 1 1 2 HIS CB C -8.145 3.631 3.694 1.00 . A A . 2 HIS CB 1 1 4 1464 1 1 2 HIS CD2 C -9.246 2.245 5.638 1.00 . A A . 2 HIS CD2 1 1 4 1465 1 1 2 HIS CE1 C -10.464 3.819 6.496 1.00 . A A . 2 HIS CE1 1 1 4 1466 1 1 2 HIS CG C -9.024 3.374 4.888 1.00 . A A . 2 HIS CG 1 1 4 1467 1 1 2 HIS H H -9.854 4.454 1.963 1.00 . A A . 2 HIS H 1 1 4 1468 1 1 2 HIS HA H -8.275 5.731 4.147 1.00 . A A . 2 HIS HA 1 1 4 1469 1 1 2 HIS HB2 H -8.454 2.996 2.877 1.00 . A A . 2 HIS HB2 1 1 4 1470 1 1 2 HIS HB3 H -7.119 3.417 3.950 1.00 . A A . 2 HIS HB3 1 1 4 1471 1 1 2 HIS HD1 H -9.882 5.295 5.149 1.00 . A A . 2 HIS HD1 1 1 4 1472 1 1 2 HIS HD2 H -8.786 1.284 5.467 1.00 . A A . 2 HIS HD2 1 1 4 1473 1 1 2 HIS HE1 H -11.152 4.359 7.131 1.00 . A A . 2 HIS HE1 1 1 4 1474 1 1 2 HIS N N -9.577 5.179 2.561 1.00 . A A . 2 HIS N 1 1 4 1475 1 1 2 HIS ND1 N -9.811 4.366 5.454 1.00 . A A . 2 HIS ND1 1 1 4 1476 1 1 2 HIS NE2 N -10.156 2.530 6.653 1.00 . A A . 2 HIS NE2 1 1 4 1477 1 1 2 HIS O O -7.353 5.927 1.222 1.00 . A A . 2 HIS O 1 1 4 1478 1 1 3 VAL C C -3.561 4.779 2.157 1.00 . A A . 3 VAL C 1 1 4 1479 1 1 3 VAL CA C -4.760 5.692 1.884 1.00 . A A . 3 VAL CA 1 1 4 1480 1 1 3 VAL CB C -4.428 7.141 2.244 1.00 . A A . 3 VAL CB 1 1 4 1481 1 1 3 VAL CG1 C -3.679 7.187 3.578 1.00 . A A . 3 VAL CG1 1 1 4 1482 1 1 3 VAL CG2 C -3.552 7.748 1.147 1.00 . A A . 3 VAL CG2 1 1 4 1483 1 1 3 VAL H H -5.745 4.970 3.661 1.00 . A A . 3 VAL H 1 1 4 1484 1 1 3 VAL HA H -5.049 5.630 0.847 1.00 . A A . 3 VAL HA 1 1 4 1485 1 1 3 VAL HB H -5.345 7.708 2.329 1.00 . A A . 3 VAL HB 1 1 4 1486 1 1 3 VAL HG11 H -3.771 8.172 4.009 1.00 . A A . 3 VAL HG11 1 1 4 1487 1 1 3 VAL HG12 H -2.636 6.962 3.412 1.00 . A A . 3 VAL HG12 1 1 4 1488 1 1 3 VAL HG13 H -4.102 6.457 4.254 1.00 . A A . 3 VAL HG13 1 1 4 1489 1 1 3 VAL HG21 H -2.842 8.431 1.589 1.00 . A A . 3 VAL HG21 1 1 4 1490 1 1 3 VAL HG22 H -4.174 8.280 0.442 1.00 . A A . 3 VAL HG22 1 1 4 1491 1 1 3 VAL HG23 H -3.021 6.960 0.634 1.00 . A A . 3 VAL HG23 1 1 4 1492 1 1 3 VAL N N -5.907 5.327 2.763 1.00 . A A . 3 VAL N 1 1 4 1493 1 1 3 VAL O O -3.146 4.599 3.285 1.00 . A A . 3 VAL O 1 1 4 1494 1 1 4 CYS C C -0.704 3.723 0.361 1.00 . A A . 4 CYS C 1 1 4 1495 1 1 4 CYS CA C -1.823 3.308 1.318 1.00 . A A . 4 CYS CA 1 1 4 1496 1 1 4 CYS CB C -2.320 1.898 0.978 1.00 . A A . 4 CYS CB 1 1 4 1497 1 1 4 CYS H H -3.349 4.368 0.228 1.00 . A A . 4 CYS H 1 1 4 1498 1 1 4 CYS HA H -1.480 3.345 2.341 1.00 . A A . 4 CYS HA 1 1 4 1499 1 1 4 CYS HB2 H -2.378 1.789 -0.094 1.00 . A A . 4 CYS HB2 1 1 4 1500 1 1 4 CYS HB3 H -1.630 1.169 1.374 1.00 . A A . 4 CYS HB3 1 1 4 1501 1 1 4 CYS N N -3.000 4.205 1.129 1.00 . A A . 4 CYS N 1 1 4 1502 1 1 4 CYS O O -0.919 3.872 -0.826 1.00 . A A . 4 CYS O 1 1 4 1503 1 1 4 CYS SG S -3.962 1.626 1.696 1.00 . A A . 4 CYS SG 1 1 4 1504 1 1 5 ASP C C 1.312 5.708 -0.635 1.00 . A A . 5 ASP C 1 1 4 1505 1 1 5 ASP CA C 1.608 4.324 -0.031 1.00 . A A . 5 ASP CA 1 1 4 1506 1 1 5 ASP CB C 1.673 3.214 -1.101 1.00 . A A . 5 ASP CB 1 1 4 1507 1 1 5 ASP CG C 1.848 3.806 -2.502 1.00 . A A . 5 ASP CG 1 1 4 1508 1 1 5 ASP H H 0.638 3.796 1.822 1.00 . A A . 5 ASP H 1 1 4 1509 1 1 5 ASP HA H 2.533 4.352 0.525 1.00 . A A . 5 ASP HA 1 1 4 1510 1 1 5 ASP HB2 H 2.508 2.565 -0.886 1.00 . A A . 5 ASP HB2 1 1 4 1511 1 1 5 ASP HB3 H 0.761 2.637 -1.072 1.00 . A A . 5 ASP HB3 1 1 4 1512 1 1 5 ASP N N 0.485 3.916 0.862 1.00 . A A . 5 ASP N 1 1 4 1513 1 1 5 ASP O O 1.982 6.163 -1.539 1.00 . A A . 5 ASP O 1 1 4 1514 1 1 5 ASP OD1 O 0.895 4.382 -2.998 1.00 . A A . 5 ASP OD1 1 1 4 1515 1 1 5 ASP OD2 O 2.929 3.675 -3.053 1.00 . A A . 5 ASP OD2 1 1 4 1516 1 1 6 ASP C C -0.596 7.640 -2.074 1.00 . A A . 6 ASP C 1 1 4 1517 1 1 6 ASP CA C -0.034 7.735 -0.649 1.00 . A A . 6 ASP CA 1 1 4 1518 1 1 6 ASP CB C 1.276 8.528 -0.633 1.00 . A A . 6 ASP CB 1 1 4 1519 1 1 6 ASP CG C 1.165 9.670 0.378 1.00 . A A . 6 ASP CG 1 1 4 1520 1 1 6 ASP H H -0.207 5.994 0.609 1.00 . A A . 6 ASP H 1 1 4 1521 1 1 6 ASP HA H -0.753 8.209 0.001 1.00 . A A . 6 ASP HA 1 1 4 1522 1 1 6 ASP HB2 H 2.091 7.879 -0.351 1.00 . A A . 6 ASP HB2 1 1 4 1523 1 1 6 ASP HB3 H 1.464 8.938 -1.614 1.00 . A A . 6 ASP HB3 1 1 4 1524 1 1 6 ASP N N 0.314 6.380 -0.126 1.00 . A A . 6 ASP N 1 1 4 1525 1 1 6 ASP O O -1.795 7.624 -2.274 1.00 . A A . 6 ASP O 1 1 4 1526 1 1 6 ASP OD1 O 0.377 9.543 1.301 1.00 . A A . 6 ASP OD1 1 1 4 1527 1 1 6 ASP OD2 O 1.868 10.653 0.212 1.00 . A A . 6 ASP OD2 1 1 4 1528 1 1 7 ASN C C -1.295 6.388 -4.597 1.00 . A A . 7 ASN C 1 1 4 1529 1 1 7 ASN CA C -0.253 7.506 -4.470 1.00 . A A . 7 ASN CA 1 1 4 1530 1 1 7 ASN CB C 0.979 7.205 -5.326 1.00 . A A . 7 ASN CB 1 1 4 1531 1 1 7 ASN CG C 1.450 5.776 -5.062 1.00 . A A . 7 ASN CG 1 1 4 1532 1 1 7 ASN H H 1.216 7.608 -2.892 1.00 . A A . 7 ASN H 1 1 4 1533 1 1 7 ASN HA H -0.682 8.450 -4.767 1.00 . A A . 7 ASN HA 1 1 4 1534 1 1 7 ASN HB2 H 0.727 7.314 -6.371 1.00 . A A . 7 ASN HB2 1 1 4 1535 1 1 7 ASN HB3 H 1.771 7.894 -5.072 1.00 . A A . 7 ASN HB3 1 1 4 1536 1 1 7 ASN HD21 H 0.063 4.957 -6.224 1.00 . A A . 7 ASN HD21 1 1 4 1537 1 1 7 ASN HD22 H 1.115 3.861 -5.466 1.00 . A A . 7 ASN HD22 1 1 4 1538 1 1 7 ASN N N 0.252 7.588 -3.067 1.00 . A A . 7 ASN N 1 1 4 1539 1 1 7 ASN ND2 N 0.826 4.782 -5.632 1.00 . A A . 7 ASN ND2 1 1 4 1540 1 1 7 ASN O O -2.186 6.451 -5.422 1.00 . A A . 7 ASN O 1 1 4 1541 1 1 7 ASN OD1 O 2.396 5.560 -4.331 1.00 . A A . 7 ASN OD1 1 1 4 1542 1 1 8 PHE C C -3.195 4.389 -2.702 1.00 . A A . 8 PHE C 1 1 4 1543 1 1 8 PHE CA C -2.194 4.259 -3.854 1.00 . A A . 8 PHE CA 1 1 4 1544 1 1 8 PHE CB C -1.374 2.975 -3.713 1.00 . A A . 8 PHE CB 1 1 4 1545 1 1 8 PHE CD1 C -1.869 1.770 -5.872 1.00 . A A . 8 PHE CD1 1 1 4 1546 1 1 8 PHE CD2 C -2.832 0.918 -3.816 1.00 . A A . 8 PHE CD2 1 1 4 1547 1 1 8 PHE CE1 C -2.487 0.738 -6.589 1.00 . A A . 8 PHE CE1 1 1 4 1548 1 1 8 PHE CE2 C -3.449 -0.115 -4.533 1.00 . A A . 8 PHE CE2 1 1 4 1549 1 1 8 PHE CG C -2.041 1.861 -4.485 1.00 . A A . 8 PHE CG 1 1 4 1550 1 1 8 PHE CZ C -3.276 -0.205 -5.919 1.00 . A A . 8 PHE CZ 1 1 4 1551 1 1 8 PHE H H -0.478 5.341 -3.120 1.00 . A A . 8 PHE H 1 1 4 1552 1 1 8 PHE HA H -2.706 4.270 -4.803 1.00 . A A . 8 PHE HA 1 1 4 1553 1 1 8 PHE HB2 H -0.380 3.138 -4.103 1.00 . A A . 8 PHE HB2 1 1 4 1554 1 1 8 PHE HB3 H -1.311 2.702 -2.670 1.00 . A A . 8 PHE HB3 1 1 4 1555 1 1 8 PHE HD1 H -1.259 2.496 -6.389 1.00 . A A . 8 PHE HD1 1 1 4 1556 1 1 8 PHE HD2 H -2.964 0.987 -2.746 1.00 . A A . 8 PHE HD2 1 1 4 1557 1 1 8 PHE HE1 H -2.353 0.667 -7.659 1.00 . A A . 8 PHE HE1 1 1 4 1558 1 1 8 PHE HE2 H -4.058 -0.843 -4.017 1.00 . A A . 8 PHE HE2 1 1 4 1559 1 1 8 PHE HZ H -3.752 -1.001 -6.472 1.00 . A A . 8 PHE HZ 1 1 4 1560 1 1 8 PHE N N -1.198 5.371 -3.783 1.00 . A A . 8 PHE N 1 1 4 1561 1 1 8 PHE O O -2.870 4.882 -1.639 1.00 . A A . 8 PHE O 1 1 4 1562 1 1 9 SER C C -6.463 2.949 -1.916 1.00 . A A . 9 SER C 1 1 4 1563 1 1 9 SER CA C -5.423 4.070 -1.808 1.00 . A A . 9 SER CA 1 1 4 1564 1 1 9 SER CB C -6.084 5.432 -2.022 1.00 . A A . 9 SER CB 1 1 4 1565 1 1 9 SER H H -4.662 3.566 -3.763 1.00 . A A . 9 SER H 1 1 4 1566 1 1 9 SER HA H -4.941 4.045 -0.843 1.00 . A A . 9 SER HA 1 1 4 1567 1 1 9 SER HB2 H -6.848 5.585 -1.279 1.00 . A A . 9 SER HB2 1 1 4 1568 1 1 9 SER HB3 H -5.337 6.210 -1.934 1.00 . A A . 9 SER HB3 1 1 4 1569 1 1 9 SER HG H -6.398 6.281 -3.745 1.00 . A A . 9 SER HG 1 1 4 1570 1 1 9 SER N N -4.412 3.958 -2.899 1.00 . A A . 9 SER N 1 1 4 1571 1 1 9 SER O O -6.569 2.280 -2.925 1.00 . A A . 9 SER O 1 1 4 1572 1 1 9 SER OG O -6.674 5.469 -3.315 1.00 . A A . 9 SER OG 1 1 4 1573 1 1 10 CYS C C -9.509 2.120 -0.127 1.00 . A A . 10 CYS C 1 1 4 1574 1 1 10 CYS CA C -8.269 1.671 -0.912 1.00 . A A . 10 CYS CA 1 1 4 1575 1 1 10 CYS CB C -7.607 0.463 -0.245 1.00 . A A . 10 CYS CB 1 1 4 1576 1 1 10 CYS H H -7.129 3.297 -0.078 1.00 . A A . 10 CYS H 1 1 4 1577 1 1 10 CYS HA H -8.533 1.432 -1.930 1.00 . A A . 10 CYS HA 1 1 4 1578 1 1 10 CYS HB2 H -6.767 0.794 0.347 1.00 . A A . 10 CYS HB2 1 1 4 1579 1 1 10 CYS HB3 H -8.323 -0.034 0.392 1.00 . A A . 10 CYS HB3 1 1 4 1580 1 1 10 CYS N N -7.233 2.744 -0.880 1.00 . A A . 10 CYS N 1 1 4 1581 1 1 10 CYS O O -9.394 2.694 0.938 1.00 . A A . 10 CYS O 1 1 4 1582 1 1 10 CYS SG S -7.029 -0.690 -1.518 1.00 . A A . 10 CYS SG 1 1 4 1583 1 1 11 PRO C C -12.258 1.342 1.151 1.00 . A A . 11 PRO C 1 1 4 1584 1 1 11 PRO CA C -11.940 2.244 -0.048 1.00 . A A . 11 PRO CA 1 1 4 1585 1 1 11 PRO CB C -12.970 2.049 -1.158 1.00 . A A . 11 PRO CB 1 1 4 1586 1 1 11 PRO CD C -10.870 1.167 -1.971 1.00 . A A . 11 PRO CD 1 1 4 1587 1 1 11 PRO CG C -12.368 1.033 -2.075 1.00 . A A . 11 PRO CG 1 1 4 1588 1 1 11 PRO HA H -11.915 3.280 0.252 1.00 . A A . 11 PRO HA 1 1 4 1589 1 1 11 PRO HB2 H -13.900 1.681 -0.745 1.00 . A A . 11 PRO HB2 1 1 4 1590 1 1 11 PRO HB3 H -13.132 2.975 -1.688 1.00 . A A . 11 PRO HB3 1 1 4 1591 1 1 11 PRO HD2 H -10.405 0.190 -1.962 1.00 . A A . 11 PRO HD2 1 1 4 1592 1 1 11 PRO HD3 H -10.486 1.766 -2.781 1.00 . A A . 11 PRO HD3 1 1 4 1593 1 1 11 PRO HG2 H -12.674 0.040 -1.774 1.00 . A A . 11 PRO HG2 1 1 4 1594 1 1 11 PRO HG3 H -12.680 1.223 -3.090 1.00 . A A . 11 PRO HG3 1 1 4 1595 1 1 11 PRO N N -10.659 1.852 -0.691 1.00 . A A . 11 PRO N 1 1 4 1596 1 1 11 PRO O O -13.152 0.522 1.099 1.00 . A A . 11 PRO O 1 1 4 1597 1 1 12 ALA C C -12.100 -0.798 3.033 1.00 . A A . 12 ALA C 1 1 4 1598 1 1 12 ALA CA C -11.807 0.650 3.437 1.00 . A A . 12 ALA CA 1 1 4 1599 1 1 12 ALA CB C -13.038 1.275 4.089 1.00 . A A . 12 ALA CB 1 1 4 1600 1 1 12 ALA H H -10.827 2.166 2.255 1.00 . A A . 12 ALA H 1 1 4 1601 1 1 12 ALA HA H -10.971 0.690 4.118 1.00 . A A . 12 ALA HA 1 1 4 1602 1 1 12 ALA HB1 H -13.510 0.549 4.733 1.00 . A A . 12 ALA HB1 1 1 4 1603 1 1 12 ALA HB2 H -13.733 1.582 3.322 1.00 . A A . 12 ALA HB2 1 1 4 1604 1 1 12 ALA HB3 H -12.740 2.135 4.670 1.00 . A A . 12 ALA HB3 1 1 4 1605 1 1 12 ALA N N -11.539 1.494 2.232 1.00 . A A . 12 ALA N 1 1 4 1606 1 1 12 ALA O O -12.780 -1.522 3.732 1.00 . A A . 12 ALA O 1 1 4 1607 1 1 13 GLY C C -10.515 -3.272 1.066 1.00 . A A . 13 GLY C 1 1 4 1608 1 1 13 GLY CA C -11.841 -2.626 1.466 1.00 . A A . 13 GLY CA 1 1 4 1609 1 1 13 GLY H H -11.045 -0.628 1.364 1.00 . A A . 13 GLY H 1 1 4 1610 1 1 13 GLY HA2 H -12.288 -3.187 2.276 1.00 . A A . 13 GLY HA2 1 1 4 1611 1 1 13 GLY HA3 H -12.508 -2.622 0.618 1.00 . A A . 13 GLY HA3 1 1 4 1612 1 1 13 GLY N N -11.592 -1.226 1.912 1.00 . A A . 13 GLY N 1 1 4 1613 1 1 13 GLY O O -10.409 -3.909 0.037 1.00 . A A . 13 GLY O 1 1 4 1614 1 1 14 SER C C -7.197 -3.511 2.692 1.00 . A A . 14 SER C 1 1 4 1615 1 1 14 SER CA C -8.180 -3.711 1.534 1.00 . A A . 14 SER CA 1 1 4 1616 1 1 14 SER CB C -7.712 -2.955 0.292 1.00 . A A . 14 SER CB 1 1 4 1617 1 1 14 SER H H -9.608 -2.590 2.694 1.00 . A A . 14 SER H 1 1 4 1618 1 1 14 SER HA H -8.289 -4.760 1.308 1.00 . A A . 14 SER HA 1 1 4 1619 1 1 14 SER HB2 H -8.321 -2.077 0.152 1.00 . A A . 14 SER HB2 1 1 4 1620 1 1 14 SER HB3 H -6.681 -2.657 0.419 1.00 . A A . 14 SER HB3 1 1 4 1621 1 1 14 SER HG H -8.522 -3.432 -1.412 1.00 . A A . 14 SER HG 1 1 4 1622 1 1 14 SER N N -9.501 -3.110 1.871 1.00 . A A . 14 SER N 1 1 4 1623 1 1 14 SER O O -7.591 -3.310 3.824 1.00 . A A . 14 SER O 1 1 4 1624 1 1 14 SER OG O -7.839 -3.798 -0.846 1.00 . A A . 14 SER OG 1 1 4 1625 1 1 15 THR C C -3.647 -2.738 2.954 1.00 . A A . 15 THR C 1 1 4 1626 1 1 15 THR CA C -4.919 -3.387 3.508 1.00 . A A . 15 THR CA 1 1 4 1627 1 1 15 THR CB C -4.627 -4.802 4.009 1.00 . A A . 15 THR CB 1 1 4 1628 1 1 15 THR CG2 C -4.419 -4.778 5.523 1.00 . A A . 15 THR CG2 1 1 4 1629 1 1 15 THR H H -5.623 -3.737 1.501 1.00 . A A . 15 THR H 1 1 4 1630 1 1 15 THR HA H -5.331 -2.791 4.305 1.00 . A A . 15 THR HA 1 1 4 1631 1 1 15 THR HB H -3.734 -5.177 3.532 1.00 . A A . 15 THR HB 1 1 4 1632 1 1 15 THR HG1 H -5.674 -5.864 2.762 1.00 . A A . 15 THR HG1 1 1 4 1633 1 1 15 THR HG21 H -4.458 -3.758 5.875 1.00 . A A . 15 THR HG21 1 1 4 1634 1 1 15 THR HG22 H -3.457 -5.205 5.760 1.00 . A A . 15 THR HG22 1 1 4 1635 1 1 15 THR HG23 H -5.197 -5.355 6.000 1.00 . A A . 15 THR HG23 1 1 4 1636 1 1 15 THR N N -5.922 -3.569 2.420 1.00 . A A . 15 THR N 1 1 4 1637 1 1 15 THR O O -3.009 -3.267 2.066 1.00 . A A . 15 THR O 1 1 4 1638 1 1 15 THR OG1 O -5.724 -5.648 3.695 1.00 . A A . 15 THR OG1 1 1 4 1639 1 1 16 CYS C C -0.803 -1.764 3.342 1.00 . A A . 16 CYS C 1 1 4 1640 1 1 16 CYS CA C -2.033 -0.928 2.973 1.00 . A A . 16 CYS CA 1 1 4 1641 1 1 16 CYS CB C -1.985 0.431 3.683 1.00 . A A . 16 CYS CB 1 1 4 1642 1 1 16 CYS H H -3.795 -1.196 4.195 1.00 . A A . 16 CYS H 1 1 4 1643 1 1 16 CYS HA H -2.086 -0.786 1.906 1.00 . A A . 16 CYS HA 1 1 4 1644 1 1 16 CYS HB2 H -1.685 0.286 4.710 1.00 . A A . 16 CYS HB2 1 1 4 1645 1 1 16 CYS HB3 H -1.268 1.070 3.189 1.00 . A A . 16 CYS HB3 1 1 4 1646 1 1 16 CYS N N -3.270 -1.601 3.473 1.00 . A A . 16 CYS N 1 1 4 1647 1 1 16 CYS O O -0.354 -1.757 4.472 1.00 . A A . 16 CYS O 1 1 4 1648 1 1 16 CYS SG S -3.619 1.217 3.645 1.00 . A A . 16 CYS SG 1 1 4 1649 1 1 17 SER C C 2.194 -2.743 2.071 1.00 . A A . 17 SER C 1 1 4 1650 1 1 17 SER CA C 0.935 -3.334 2.711 1.00 . A A . 17 SER CA 1 1 4 1651 1 1 17 SER CB C 0.628 -4.702 2.100 1.00 . A A . 17 SER CB 1 1 4 1652 1 1 17 SER H H -0.639 -2.489 1.499 1.00 . A A . 17 SER H 1 1 4 1653 1 1 17 SER HA H 1.063 -3.429 3.776 1.00 . A A . 17 SER HA 1 1 4 1654 1 1 17 SER HB2 H 1.479 -5.043 1.535 1.00 . A A . 17 SER HB2 1 1 4 1655 1 1 17 SER HB3 H 0.418 -5.408 2.893 1.00 . A A . 17 SER HB3 1 1 4 1656 1 1 17 SER HG H -0.372 -5.212 0.511 1.00 . A A . 17 SER HG 1 1 4 1657 1 1 17 SER N N -0.260 -2.491 2.403 1.00 . A A . 17 SER N 1 1 4 1658 1 1 17 SER O O 2.211 -2.407 0.904 1.00 . A A . 17 SER O 1 1 4 1659 1 1 17 SER OG O -0.496 -4.593 1.234 1.00 . A A . 17 SER OG 1 1 4 1660 1 1 18 SER C C 5.355 -3.172 1.636 1.00 . A A . 18 SER C 1 1 4 1661 1 1 18 SER CA C 4.510 -2.056 2.263 1.00 . A A . 18 SER CA 1 1 4 1662 1 1 18 SER CB C 5.237 -1.441 3.457 1.00 . A A . 18 SER CB 1 1 4 1663 1 1 18 SER H H 3.216 -2.902 3.765 1.00 . A A . 18 SER H 1 1 4 1664 1 1 18 SER HA H 4.288 -1.295 1.532 1.00 . A A . 18 SER HA 1 1 4 1665 1 1 18 SER HB2 H 5.200 -2.120 4.293 1.00 . A A . 18 SER HB2 1 1 4 1666 1 1 18 SER HB3 H 6.269 -1.255 3.192 1.00 . A A . 18 SER HB3 1 1 4 1667 1 1 18 SER HG H 5.104 0.500 3.438 1.00 . A A . 18 SER HG 1 1 4 1668 1 1 18 SER N N 3.250 -2.620 2.827 1.00 . A A . 18 SER N 1 1 4 1669 1 1 18 SER O O 5.642 -4.172 2.263 1.00 . A A . 18 SER O 1 1 4 1670 1 1 18 SER OG O 4.599 -0.222 3.818 1.00 . A A . 18 SER OG 1 1 4 1671 1 1 19 ALA C C 6.952 -3.613 -1.680 1.00 . A A . 19 ALA C 1 1 4 1672 1 1 19 ALA CA C 6.576 -4.056 -0.264 1.00 . A A . 19 ALA CA 1 1 4 1673 1 1 19 ALA CB C 5.677 -5.291 -0.315 1.00 . A A . 19 ALA CB 1 1 4 1674 1 1 19 ALA H H 5.507 -2.193 -0.081 1.00 . A A . 19 ALA H 1 1 4 1675 1 1 19 ALA HA H 7.461 -4.267 0.313 1.00 . A A . 19 ALA HA 1 1 4 1676 1 1 19 ALA HB1 H 5.800 -5.785 -1.268 1.00 . A A . 19 ALA HB1 1 1 4 1677 1 1 19 ALA HB2 H 4.646 -4.989 -0.198 1.00 . A A . 19 ALA HB2 1 1 4 1678 1 1 19 ALA HB3 H 5.948 -5.967 0.481 1.00 . A A . 19 ALA HB3 1 1 4 1679 1 1 19 ALA N N 5.752 -3.006 0.404 1.00 . A A . 19 ALA N 1 1 4 1680 1 1 19 ALA O O 6.418 -2.656 -2.203 1.00 . A A . 19 ALA O 1 1 4 1681 1 1 20 PHE C C 8.084 -5.086 -4.653 1.00 . A A . 20 PHE C 1 1 4 1682 1 1 20 PHE CA C 8.269 -3.910 -3.692 1.00 . A A . 20 PHE CA 1 1 4 1683 1 1 20 PHE CB C 9.754 -3.496 -3.632 1.00 . A A . 20 PHE CB 1 1 4 1684 1 1 20 PHE CD1 C 10.043 -3.362 -1.121 1.00 . A A . 20 PHE CD1 1 1 4 1685 1 1 20 PHE CD2 C 11.393 -4.942 -2.370 1.00 . A A . 20 PHE CD2 1 1 4 1686 1 1 20 PHE CE1 C 10.660 -3.773 0.066 1.00 . A A . 20 PHE CE1 1 1 4 1687 1 1 20 PHE CE2 C 12.008 -5.354 -1.183 1.00 . A A . 20 PHE CE2 1 1 4 1688 1 1 20 PHE CG C 10.410 -3.947 -2.341 1.00 . A A . 20 PHE CG 1 1 4 1689 1 1 20 PHE CZ C 11.642 -4.770 0.036 1.00 . A A . 20 PHE CZ 1 1 4 1690 1 1 20 PHE H H 8.288 -5.072 -1.872 1.00 . A A . 20 PHE H 1 1 4 1691 1 1 20 PHE HA H 7.675 -3.072 -4.022 1.00 . A A . 20 PHE HA 1 1 4 1692 1 1 20 PHE HB2 H 10.278 -3.943 -4.464 1.00 . A A . 20 PHE HB2 1 1 4 1693 1 1 20 PHE HB3 H 9.822 -2.422 -3.709 1.00 . A A . 20 PHE HB3 1 1 4 1694 1 1 20 PHE HD1 H 9.285 -2.593 -1.097 1.00 . A A . 20 PHE HD1 1 1 4 1695 1 1 20 PHE HD2 H 11.676 -5.393 -3.309 1.00 . A A . 20 PHE HD2 1 1 4 1696 1 1 20 PHE HE1 H 10.378 -3.322 1.006 1.00 . A A . 20 PHE HE1 1 1 4 1697 1 1 20 PHE HE2 H 12.766 -6.121 -1.207 1.00 . A A . 20 PHE HE2 1 1 4 1698 1 1 20 PHE HZ H 12.118 -5.087 0.952 1.00 . A A . 20 PHE HZ 1 1 4 1699 1 1 20 PHE N N 7.867 -4.301 -2.307 1.00 . A A . 20 PHE N 1 1 4 1700 1 1 20 PHE O O 7.105 -5.165 -5.368 1.00 . A A . 20 PHE O 1 1 4 1701 1 1 21 GLY C C 9.460 -8.416 -4.963 1.00 . A A . 21 GLY C 1 1 4 1702 1 1 21 GLY CA C 8.885 -7.156 -5.612 1.00 . A A . 21 GLY CA 1 1 4 1703 1 1 21 GLY H H 9.804 -5.918 -4.108 1.00 . A A . 21 GLY H 1 1 4 1704 1 1 21 GLY HA2 H 7.841 -7.315 -5.841 1.00 . A A . 21 GLY HA2 1 1 4 1705 1 1 21 GLY HA3 H 9.423 -6.949 -6.524 1.00 . A A . 21 GLY HA3 1 1 4 1706 1 1 21 GLY N N 9.017 -5.998 -4.685 1.00 . A A . 21 GLY N 1 1 4 1707 1 1 21 GLY O O 8.739 -9.333 -4.625 1.00 . A A . 21 GLY O 1 1 4 1708 1 1 22 PHE C C 12.742 -9.374 -3.600 1.00 . A A . 22 PHE C 1 1 4 1709 1 1 22 PHE CA C 11.362 -9.690 -4.184 1.00 . A A . 22 PHE CA 1 1 4 1710 1 1 22 PHE CB C 11.492 -10.682 -5.341 1.00 . A A . 22 PHE CB 1 1 4 1711 1 1 22 PHE CD1 C 12.197 -9.072 -7.148 1.00 . A A . 22 PHE CD1 1 1 4 1712 1 1 22 PHE CD2 C 13.764 -10.777 -6.430 1.00 . A A . 22 PHE CD2 1 1 4 1713 1 1 22 PHE CE1 C 13.140 -8.591 -8.065 1.00 . A A . 22 PHE CE1 1 1 4 1714 1 1 22 PHE CE2 C 14.706 -10.298 -7.346 1.00 . A A . 22 PHE CE2 1 1 4 1715 1 1 22 PHE CG C 12.509 -10.165 -6.330 1.00 . A A . 22 PHE CG 1 1 4 1716 1 1 22 PHE CZ C 14.395 -9.204 -8.164 1.00 . A A . 22 PHE CZ 1 1 4 1717 1 1 22 PHE H H 11.322 -7.733 -5.086 1.00 . A A . 22 PHE H 1 1 4 1718 1 1 22 PHE HA H 10.713 -10.096 -3.425 1.00 . A A . 22 PHE HA 1 1 4 1719 1 1 22 PHE HB2 H 11.815 -11.640 -4.960 1.00 . A A . 22 PHE HB2 1 1 4 1720 1 1 22 PHE HB3 H 10.537 -10.792 -5.831 1.00 . A A . 22 PHE HB3 1 1 4 1721 1 1 22 PHE HD1 H 11.229 -8.599 -7.072 1.00 . A A . 22 PHE HD1 1 1 4 1722 1 1 22 PHE HD2 H 14.004 -11.620 -5.799 1.00 . A A . 22 PHE HD2 1 1 4 1723 1 1 22 PHE HE1 H 12.901 -7.748 -8.696 1.00 . A A . 22 PHE HE1 1 1 4 1724 1 1 22 PHE HE2 H 15.675 -10.770 -7.423 1.00 . A A . 22 PHE HE2 1 1 4 1725 1 1 22 PHE HZ H 15.122 -8.835 -8.872 1.00 . A A . 22 PHE HZ 1 1 4 1726 1 1 22 PHE N N 10.754 -8.476 -4.799 1.00 . A A . 22 PHE N 1 1 4 1727 1 1 22 PHE O O 13.134 -9.920 -2.589 1.00 . A A . 22 PHE O 1 1 4 1728 1 1 23 ARG C C 14.835 -6.855 -2.951 1.00 . A A . 23 ARG C 1 1 4 1729 1 1 23 ARG CA C 14.846 -8.184 -3.713 1.00 . A A . 23 ARG CA 1 1 4 1730 1 1 23 ARG CB C 15.730 -8.079 -4.953 1.00 . A A . 23 ARG CB 1 1 4 1731 1 1 23 ARG CD C 18.020 -7.506 -5.778 1.00 . A A . 23 ARG CD 1 1 4 1732 1 1 23 ARG CG C 17.124 -7.602 -4.542 1.00 . A A . 23 ARG CG 1 1 4 1733 1 1 23 ARG CZ C 19.667 -5.871 -6.468 1.00 . A A . 23 ARG CZ 1 1 4 1734 1 1 23 ARG H H 13.161 -8.088 -5.054 1.00 . A A . 23 ARG H 1 1 4 1735 1 1 23 ARG HA H 15.204 -8.978 -3.077 1.00 . A A . 23 ARG HA 1 1 4 1736 1 1 23 ARG HB2 H 15.805 -9.048 -5.427 1.00 . A A . 23 ARG HB2 1 1 4 1737 1 1 23 ARG HB3 H 15.300 -7.371 -5.645 1.00 . A A . 23 ARG HB3 1 1 4 1738 1 1 23 ARG HD2 H 18.618 -8.402 -5.879 1.00 . A A . 23 ARG HD2 1 1 4 1739 1 1 23 ARG HD3 H 17.426 -7.346 -6.663 1.00 . A A . 23 ARG HD3 1 1 4 1740 1 1 23 ARG HE H 18.879 -5.887 -4.648 1.00 . A A . 23 ARG HE 1 1 4 1741 1 1 23 ARG HG2 H 17.047 -6.630 -4.076 1.00 . A A . 23 ARG HG2 1 1 4 1742 1 1 23 ARG HG3 H 17.552 -8.304 -3.842 1.00 . A A . 23 ARG HG3 1 1 4 1743 1 1 23 ARG HH11 H 18.263 -4.685 -7.262 1.00 . A A . 23 ARG HH11 1 1 4 1744 1 1 23 ARG HH12 H 19.804 -4.654 -8.052 1.00 . A A . 23 ARG HH12 1 1 4 1745 1 1 23 ARG HH21 H 21.250 -6.951 -5.892 1.00 . A A . 23 ARG HH21 1 1 4 1746 1 1 23 ARG HH22 H 21.498 -5.936 -7.274 1.00 . A A . 23 ARG HH22 1 1 4 1747 1 1 23 ARG N N 13.487 -8.511 -4.234 1.00 . A A . 23 ARG N 1 1 4 1748 1 1 23 ARG NE N 18.890 -6.324 -5.525 1.00 . A A . 23 ARG NE 1 1 4 1749 1 1 23 ARG NH1 N 19.209 -5.002 -7.328 1.00 . A A . 23 ARG NH1 1 1 4 1750 1 1 23 ARG NH2 N 20.901 -6.286 -6.552 1.00 . A A . 23 ARG NH2 1 1 4 1751 1 1 23 ARG O O 14.672 -6.821 -1.747 1.00 . A A . 23 ARG O 1 1 4 1752 1 1 24 ASN C C 14.779 -3.303 -3.937 1.00 . A A . 24 ASN C 1 1 4 1753 1 1 24 ASN CA C 15.036 -4.441 -2.944 1.00 . A A . 24 ASN CA 1 1 4 1754 1 1 24 ASN CB C 16.442 -4.325 -2.356 1.00 . A A . 24 ASN CB 1 1 4 1755 1 1 24 ASN CG C 16.559 -3.018 -1.569 1.00 . A A . 24 ASN CG 1 1 4 1756 1 1 24 ASN H H 15.163 -5.808 -4.608 1.00 . A A . 24 ASN H 1 1 4 1757 1 1 24 ASN HA H 14.305 -4.423 -2.153 1.00 . A A . 24 ASN HA 1 1 4 1758 1 1 24 ASN HB2 H 16.626 -5.162 -1.696 1.00 . A A . 24 ASN HB2 1 1 4 1759 1 1 24 ASN HB3 H 17.168 -4.329 -3.154 1.00 . A A . 24 ASN HB3 1 1 4 1760 1 1 24 ASN HD21 H 18.153 -3.611 -0.547 1.00 . A A . 24 ASN HD21 1 1 4 1761 1 1 24 ASN HD22 H 17.601 -2.048 -0.186 1.00 . A A . 24 ASN HD22 1 1 4 1762 1 1 24 ASN N N 15.022 -5.761 -3.639 1.00 . A A . 24 ASN N 1 1 4 1763 1 1 24 ASN ND2 N 17.517 -2.881 -0.695 1.00 . A A . 24 ASN ND2 1 1 4 1764 1 1 24 ASN O O 15.611 -2.439 -4.132 1.00 . A A . 24 ASN O 1 1 4 1765 1 1 24 ASN OD1 O 15.771 -2.111 -1.755 1.00 . A A . 24 ASN OD1 1 1 4 1766 1 1 25 LEU C C 12.622 -1.049 -4.814 1.00 . A A . 25 LEU C 1 1 4 1767 1 1 25 LEU CA C 13.328 -2.201 -5.531 1.00 . A A . 25 LEU CA 1 1 4 1768 1 1 25 LEU CB C 12.400 -2.841 -6.565 1.00 . A A . 25 LEU CB 1 1 4 1769 1 1 25 LEU CD1 C 13.492 -1.338 -8.235 1.00 . A A . 25 LEU CD1 1 1 4 1770 1 1 25 LEU CD2 C 14.268 -3.698 -7.985 1.00 . A A . 25 LEU CD2 1 1 4 1771 1 1 25 LEU CG C 13.050 -2.774 -7.948 1.00 . A A . 25 LEU CG 1 1 4 1772 1 1 25 LEU H H 12.973 -3.993 -4.386 1.00 . A A . 25 LEU H 1 1 4 1773 1 1 25 LEU HA H 14.232 -1.856 -6.008 1.00 . A A . 25 LEU HA 1 1 4 1774 1 1 25 LEU HB2 H 12.224 -3.873 -6.299 1.00 . A A . 25 LEU HB2 1 1 4 1775 1 1 25 LEU HB3 H 11.461 -2.308 -6.584 1.00 . A A . 25 LEU HB3 1 1 4 1776 1 1 25 LEU HD11 H 14.453 -1.159 -7.776 1.00 . A A . 25 LEU HD11 1 1 4 1777 1 1 25 LEU HD12 H 12.765 -0.649 -7.830 1.00 . A A . 25 LEU HD12 1 1 4 1778 1 1 25 LEU HD13 H 13.570 -1.192 -9.303 1.00 . A A . 25 LEU HD13 1 1 4 1779 1 1 25 LEU HD21 H 13.968 -4.674 -8.341 1.00 . A A . 25 LEU HD21 1 1 4 1780 1 1 25 LEU HD22 H 14.683 -3.789 -6.994 1.00 . A A . 25 LEU HD22 1 1 4 1781 1 1 25 LEU HD23 H 15.012 -3.287 -8.651 1.00 . A A . 25 LEU HD23 1 1 4 1782 1 1 25 LEU HG H 12.335 -3.085 -8.696 1.00 . A A . 25 LEU HG 1 1 4 1783 1 1 25 LEU N N 13.634 -3.290 -4.559 1.00 . A A . 25 LEU N 1 1 4 1784 1 1 25 LEU O O 11.662 -0.491 -5.308 1.00 . A A . 25 LEU O 1 1 4 1785 1 1 26 SER C C 11.059 -0.043 -2.391 1.00 . A A . 26 SER C 1 1 4 1786 1 1 26 SER CA C 12.432 0.415 -2.885 1.00 . A A . 26 SER CA 1 1 4 1787 1 1 26 SER CB C 12.294 1.565 -3.884 1.00 . A A . 26 SER CB 1 1 4 1788 1 1 26 SER H H 13.853 -1.165 -3.258 1.00 . A A . 26 SER H 1 1 4 1789 1 1 26 SER HA H 13.051 0.718 -2.054 1.00 . A A . 26 SER HA 1 1 4 1790 1 1 26 SER HB2 H 13.116 1.539 -4.581 1.00 . A A . 26 SER HB2 1 1 4 1791 1 1 26 SER HB3 H 11.363 1.461 -4.426 1.00 . A A . 26 SER HB3 1 1 4 1792 1 1 26 SER HG H 11.976 3.481 -3.770 1.00 . A A . 26 SER HG 1 1 4 1793 1 1 26 SER N N 13.083 -0.694 -3.643 1.00 . A A . 26 SER N 1 1 4 1794 1 1 26 SER O O 10.790 -1.221 -2.306 1.00 . A A . 26 SER O 1 1 4 1795 1 1 26 SER OG O 12.315 2.800 -3.183 1.00 . A A . 26 SER OG 1 1 4 1796 1 1 27 LEU C C 8.000 -0.076 -2.747 1.00 . A A . 27 LEU C 1 1 4 1797 1 1 27 LEU CA C 8.837 0.455 -1.579 1.00 . A A . 27 LEU CA 1 1 4 1798 1 1 27 LEU CB C 8.211 1.721 -0.989 1.00 . A A . 27 LEU CB 1 1 4 1799 1 1 27 LEU CD1 C 9.729 1.307 0.951 1.00 . A A . 27 LEU CD1 1 1 4 1800 1 1 27 LEU CD2 C 7.930 3.031 1.118 1.00 . A A . 27 LEU CD2 1 1 4 1801 1 1 27 LEU CG C 8.302 1.666 0.536 1.00 . A A . 27 LEU CG 1 1 4 1802 1 1 27 LEU H H 10.413 1.820 -2.136 1.00 . A A . 27 LEU H 1 1 4 1803 1 1 27 LEU HA H 8.931 -0.299 -0.813 1.00 . A A . 27 LEU HA 1 1 4 1804 1 1 27 LEU HB2 H 8.741 2.588 -1.354 1.00 . A A . 27 LEU HB2 1 1 4 1805 1 1 27 LEU HB3 H 7.174 1.781 -1.282 1.00 . A A . 27 LEU HB3 1 1 4 1806 1 1 27 LEU HD11 H 9.758 0.283 1.294 1.00 . A A . 27 LEU HD11 1 1 4 1807 1 1 27 LEU HD12 H 10.049 1.962 1.749 1.00 . A A . 27 LEU HD12 1 1 4 1808 1 1 27 LEU HD13 H 10.390 1.421 0.105 1.00 . A A . 27 LEU HD13 1 1 4 1809 1 1 27 LEU HD21 H 7.220 2.898 1.921 1.00 . A A . 27 LEU HD21 1 1 4 1810 1 1 27 LEU HD22 H 7.489 3.645 0.346 1.00 . A A . 27 LEU HD22 1 1 4 1811 1 1 27 LEU HD23 H 8.817 3.515 1.499 1.00 . A A . 27 LEU HD23 1 1 4 1812 1 1 27 LEU HG H 7.619 0.915 0.910 1.00 . A A . 27 LEU HG 1 1 4 1813 1 1 27 LEU N N 10.185 0.870 -2.063 1.00 . A A . 27 LEU N 1 1 4 1814 1 1 27 LEU O O 8.040 -1.246 -3.064 1.00 . A A . 27 LEU O 1 1 4 1815 1 1 28 VAL C C 5.339 -0.668 -4.067 1.00 . A A . 28 VAL C 1 1 4 1816 1 1 28 VAL CA C 6.412 0.317 -4.541 1.00 . A A . 28 VAL CA 1 1 4 1817 1 1 28 VAL CB C 7.384 -0.379 -5.494 1.00 . A A . 28 VAL CB 1 1 4 1818 1 1 28 VAL CG1 C 6.733 -0.518 -6.870 1.00 . A A . 28 VAL CG1 1 1 4 1819 1 1 28 VAL CG2 C 8.663 0.452 -5.621 1.00 . A A . 28 VAL CG2 1 1 4 1820 1 1 28 VAL H H 7.233 1.716 -3.123 1.00 . A A . 28 VAL H 1 1 4 1821 1 1 28 VAL HA H 5.956 1.160 -5.033 1.00 . A A . 28 VAL HA 1 1 4 1822 1 1 28 VAL HB H 7.624 -1.361 -5.109 1.00 . A A . 28 VAL HB 1 1 4 1823 1 1 28 VAL HG11 H 5.792 -1.040 -6.772 1.00 . A A . 28 VAL HG11 1 1 4 1824 1 1 28 VAL HG12 H 7.387 -1.076 -7.524 1.00 . A A . 28 VAL HG12 1 1 4 1825 1 1 28 VAL HG13 H 6.558 0.463 -7.286 1.00 . A A . 28 VAL HG13 1 1 4 1826 1 1 28 VAL HG21 H 9.229 0.384 -4.703 1.00 . A A . 28 VAL HG21 1 1 4 1827 1 1 28 VAL HG22 H 8.404 1.483 -5.809 1.00 . A A . 28 VAL HG22 1 1 4 1828 1 1 28 VAL HG23 H 9.258 0.074 -6.439 1.00 . A A . 28 VAL HG23 1 1 4 1829 1 1 28 VAL N N 7.248 0.775 -3.391 1.00 . A A . 28 VAL N 1 1 4 1830 1 1 28 VAL O O 5.445 -1.862 -4.275 1.00 . A A . 28 VAL O 1 1 4 1831 1 1 29 TRP C C 1.880 -0.364 -2.929 1.00 . A A . 29 TRP C 1 1 4 1832 1 1 29 TRP CA C 3.221 -1.097 -2.968 1.00 . A A . 29 TRP CA 1 1 4 1833 1 1 29 TRP CB C 3.636 -1.527 -1.561 1.00 . A A . 29 TRP CB 1 1 4 1834 1 1 29 TRP CD1 C 5.212 0.308 -0.826 1.00 . A A . 29 TRP CD1 1 1 4 1835 1 1 29 TRP CD2 C 3.234 0.387 0.241 1.00 . A A . 29 TRP CD2 1 1 4 1836 1 1 29 TRP CE2 C 4.010 1.456 0.746 1.00 . A A . 29 TRP CE2 1 1 4 1837 1 1 29 TRP CE3 C 1.934 0.212 0.751 1.00 . A A . 29 TRP CE3 1 1 4 1838 1 1 29 TRP CG C 4.020 -0.327 -0.756 1.00 . A A . 29 TRP CG 1 1 4 1839 1 1 29 TRP CH2 C 2.223 2.133 2.219 1.00 . A A . 29 TRP CH2 1 1 4 1840 1 1 29 TRP CZ2 C 3.516 2.322 1.724 1.00 . A A . 29 TRP CZ2 1 1 4 1841 1 1 29 TRP CZ3 C 1.434 1.082 1.734 1.00 . A A . 29 TRP CZ3 1 1 4 1842 1 1 29 TRP H H 4.227 0.783 -3.289 1.00 . A A . 29 TRP H 1 1 4 1843 1 1 29 TRP HA H 3.157 -1.963 -3.612 1.00 . A A . 29 TRP HA 1 1 4 1844 1 1 29 TRP HB2 H 2.809 -2.030 -1.082 1.00 . A A . 29 TRP HB2 1 1 4 1845 1 1 29 TRP HB3 H 4.475 -2.202 -1.626 1.00 . A A . 29 TRP HB3 1 1 4 1846 1 1 29 TRP HD1 H 6.034 0.033 -1.471 1.00 . A A . 29 TRP HD1 1 1 4 1847 1 1 29 TRP HE1 H 5.953 1.986 0.211 1.00 . A A . 29 TRP HE1 1 1 4 1848 1 1 29 TRP HE3 H 1.317 -0.592 0.383 1.00 . A A . 29 TRP HE3 1 1 4 1849 1 1 29 TRP HH2 H 1.831 2.798 2.976 1.00 . A A . 29 TRP HH2 1 1 4 1850 1 1 29 TRP HZ2 H 4.128 3.131 2.094 1.00 . A A . 29 TRP HZ2 1 1 4 1851 1 1 29 TRP HZ3 H 0.436 0.937 2.119 1.00 . A A . 29 TRP HZ3 1 1 4 1852 1 1 29 TRP N N 4.301 -0.182 -3.442 1.00 . A A . 29 TRP N 1 1 4 1853 1 1 29 TRP NE1 N 5.208 1.366 0.066 1.00 . A A . 29 TRP NE1 1 1 4 1854 1 1 29 TRP O O 1.776 0.784 -3.312 1.00 . A A . 29 TRP O 1 1 4 1855 1 1 30 GLY C C -1.342 -1.050 -1.337 1.00 . A A . 30 GLY C 1 1 4 1856 1 1 30 GLY CA C -0.485 -0.363 -2.400 1.00 . A A . 30 GLY CA 1 1 4 1857 1 1 30 GLY H H 0.957 -1.946 -2.161 1.00 . A A . 30 GLY H 1 1 4 1858 1 1 30 GLY HA2 H -0.360 0.680 -2.145 1.00 . A A . 30 GLY HA2 1 1 4 1859 1 1 30 GLY HA3 H -0.974 -0.443 -3.359 1.00 . A A . 30 GLY HA3 1 1 4 1860 1 1 30 GLY N N 0.850 -1.020 -2.466 1.00 . A A . 30 GLY N 1 1 4 1861 1 1 30 GLY O O -0.985 -1.101 -0.176 1.00 . A A . 30 GLY O 1 1 4 1862 1 1 31 CYS C C -4.098 -3.425 -1.388 1.00 . A A . 31 CYS C 1 1 4 1863 1 1 31 CYS CA C -3.345 -2.267 -0.729 1.00 . A A . 31 CYS CA 1 1 4 1864 1 1 31 CYS CB C -4.324 -1.195 -0.246 1.00 . A A . 31 CYS CB 1 1 4 1865 1 1 31 CYS H H -2.739 -1.532 -2.662 1.00 . A A . 31 CYS H 1 1 4 1866 1 1 31 CYS HA H -2.758 -2.627 0.099 1.00 . A A . 31 CYS HA 1 1 4 1867 1 1 31 CYS HB2 H -5.110 -1.661 0.328 1.00 . A A . 31 CYS HB2 1 1 4 1868 1 1 31 CYS HB3 H -3.799 -0.487 0.375 1.00 . A A . 31 CYS HB3 1 1 4 1869 1 1 31 CYS N N -2.470 -1.582 -1.722 1.00 . A A . 31 CYS N 1 1 4 1870 1 1 31 CYS O O -4.655 -3.290 -2.460 1.00 . A A . 31 CYS O 1 1 4 1871 1 1 31 CYS SG S -5.044 -0.335 -1.668 1.00 . A A . 31 CYS SG 1 1 4 1872 1 1 32 SER C C -6.255 -5.823 -0.770 1.00 . A A . 32 SER C 1 1 4 1873 1 1 32 SER CA C -4.834 -5.736 -1.335 1.00 . A A . 32 SER CA 1 1 4 1874 1 1 32 SER CB C -4.015 -6.956 -0.907 1.00 . A A . 32 SER CB 1 1 4 1875 1 1 32 SER H H -3.662 -4.651 0.112 1.00 . A A . 32 SER H 1 1 4 1876 1 1 32 SER HA H -4.858 -5.667 -2.411 1.00 . A A . 32 SER HA 1 1 4 1877 1 1 32 SER HB2 H -4.672 -7.705 -0.495 1.00 . A A . 32 SER HB2 1 1 4 1878 1 1 32 SER HB3 H -3.503 -7.364 -1.768 1.00 . A A . 32 SER HB3 1 1 4 1879 1 1 32 SER HG H -3.552 -6.370 0.891 1.00 . A A . 32 SER HG 1 1 4 1880 1 1 32 SER N N -4.118 -4.565 -0.752 1.00 . A A . 32 SER N 1 1 4 1881 1 1 32 SER O O -6.511 -5.388 0.335 1.00 . A A . 32 SER O 1 1 4 1882 1 1 32 SER OG O -3.070 -6.569 0.083 1.00 . A A . 32 SER OG 1 1 4 1883 1 1 33 PRO C C -8.665 -7.616 -0.043 1.00 . A A . 33 PRO C 1 1 4 1884 1 1 33 PRO CA C -8.547 -6.538 -1.126 1.00 . A A . 33 PRO CA 1 1 4 1885 1 1 33 PRO CB C -9.262 -6.968 -2.404 1.00 . A A . 33 PRO CB 1 1 4 1886 1 1 33 PRO CD C -6.899 -6.933 -2.893 1.00 . A A . 33 PRO CD 1 1 4 1887 1 1 33 PRO CG C -8.203 -7.604 -3.245 1.00 . A A . 33 PRO CG 1 1 4 1888 1 1 33 PRO HA H -8.945 -5.599 -0.778 1.00 . A A . 33 PRO HA 1 1 4 1889 1 1 33 PRO HB2 H -10.043 -7.681 -2.174 1.00 . A A . 33 PRO HB2 1 1 4 1890 1 1 33 PRO HB3 H -9.673 -6.111 -2.913 1.00 . A A . 33 PRO HB3 1 1 4 1891 1 1 33 PRO HD2 H -6.094 -7.655 -2.876 1.00 . A A . 33 PRO HD2 1 1 4 1892 1 1 33 PRO HD3 H -6.683 -6.137 -3.587 1.00 . A A . 33 PRO HD3 1 1 4 1893 1 1 33 PRO HG2 H -8.146 -8.663 -3.028 1.00 . A A . 33 PRO HG2 1 1 4 1894 1 1 33 PRO HG3 H -8.419 -7.452 -4.292 1.00 . A A . 33 PRO HG3 1 1 4 1895 1 1 33 PRO N N -7.135 -6.387 -1.553 1.00 . A A . 33 PRO N 1 1 4 1896 1 1 33 PRO O O -8.191 -8.722 -0.202 1.00 . A A . 33 PRO O 1 1 4 1897 1 1 34 VAL C C -10.730 -9.102 1.968 1.00 . A A . 34 VAL C 1 1 4 1898 1 1 34 VAL CA C -9.434 -8.306 2.148 1.00 . A A . 34 VAL CA 1 1 4 1899 1 1 34 VAL CB C -9.480 -7.487 3.437 1.00 . A A . 34 VAL CB 1 1 4 1900 1 1 34 VAL CG1 C -10.805 -6.727 3.513 1.00 . A A . 34 VAL CG1 1 1 4 1901 1 1 34 VAL CG2 C -9.363 -8.425 4.640 1.00 . A A . 34 VAL CG2 1 1 4 1902 1 1 34 VAL H H -9.665 -6.400 1.168 1.00 . A A . 34 VAL H 1 1 4 1903 1 1 34 VAL HA H -8.583 -8.969 2.162 1.00 . A A . 34 VAL HA 1 1 4 1904 1 1 34 VAL HB H -8.660 -6.783 3.446 1.00 . A A . 34 VAL HB 1 1 4 1905 1 1 34 VAL HG11 H -10.857 -6.014 2.703 1.00 . A A . 34 VAL HG11 1 1 4 1906 1 1 34 VAL HG12 H -10.867 -6.206 4.456 1.00 . A A . 34 VAL HG12 1 1 4 1907 1 1 34 VAL HG13 H -11.625 -7.424 3.432 1.00 . A A . 34 VAL HG13 1 1 4 1908 1 1 34 VAL HG21 H -8.386 -8.321 5.085 1.00 . A A . 34 VAL HG21 1 1 4 1909 1 1 34 VAL HG22 H -9.505 -9.447 4.316 1.00 . A A . 34 VAL HG22 1 1 4 1910 1 1 34 VAL HG23 H -10.119 -8.172 5.369 1.00 . A A . 34 VAL HG23 1 1 4 1911 1 1 34 VAL N N -9.291 -7.299 1.057 1.00 . A A . 34 VAL N 1 1 4 1912 1 1 34 VAL O O -11.390 -9.455 2.925 1.00 . A A . 34 VAL O 1 1 4 1913 1 1 35 GLU C C -12.362 -10.732 -0.909 1.00 . A A . 35 GLU C 1 1 4 1914 1 1 35 GLU CA C -12.353 -10.161 0.511 1.00 . A A . 35 GLU CA 1 1 4 1915 1 1 35 GLU CB C -13.482 -9.145 0.686 1.00 . A A . 35 GLU CB 1 1 4 1916 1 1 35 GLU CD C -15.277 -9.142 2.424 1.00 . A A . 35 GLU CD 1 1 4 1917 1 1 35 GLU CG C -14.743 -9.856 1.181 1.00 . A A . 35 GLU CG 1 1 4 1918 1 1 35 GLU H H -10.554 -9.094 -0.010 1.00 . A A . 35 GLU H 1 1 4 1919 1 1 35 GLU HA H -12.452 -10.952 1.237 1.00 . A A . 35 GLU HA 1 1 4 1920 1 1 35 GLU HB2 H -13.184 -8.398 1.409 1.00 . A A . 35 GLU HB2 1 1 4 1921 1 1 35 GLU HB3 H -13.689 -8.667 -0.260 1.00 . A A . 35 GLU HB3 1 1 4 1922 1 1 35 GLU HG2 H -15.494 -9.839 0.404 1.00 . A A . 35 GLU HG2 1 1 4 1923 1 1 35 GLU HG3 H -14.506 -10.880 1.431 1.00 . A A . 35 GLU HG3 1 1 4 1924 1 1 35 GLU N N -11.100 -9.387 0.749 1.00 . A A . 35 GLU N 1 1 4 1925 1 1 35 GLU O O -11.838 -11.818 -1.094 1.00 . A A . 35 GLU O 1 1 4 1926 1 1 35 GLU OXT O -12.890 -10.072 -1.789 1.00 . A A . 35 GLU OXT 1 1 4 1927 1 1 35 GLU OE1 O -14.541 -9.051 3.392 1.00 . A A . 35 GLU OE1 1 1 4 1928 1 1 35 GLU OE2 O -16.413 -8.698 2.385 1.00 . A A . 35 GLU OE2 1 1 5 1929 1 1 1 ASP C C -9.960 5.217 2.935 1.00 . A A . 1 ASP C 1 1 5 1930 1 1 1 ASP CA C -11.297 5.268 2.190 1.00 . A A . 1 ASP CA 1 1 5 1931 1 1 1 ASP CB C -11.082 5.663 0.728 1.00 . A A . 1 ASP CB 1 1 5 1932 1 1 1 ASP CG C -10.188 6.904 0.661 1.00 . A A . 1 ASP CG 1 1 5 1933 1 1 1 ASP H1 H -12.746 5.950 3.523 1.00 . A A . 1 ASP H1 1 1 5 1934 1 1 1 ASP H2 H -12.776 6.725 2.011 1.00 . A A . 1 ASP H2 1 1 5 1935 1 1 1 ASP H3 H -11.563 7.103 3.139 1.00 . A A . 1 ASP H3 1 1 5 1936 1 1 1 ASP HA H -11.797 4.315 2.244 1.00 . A A . 1 ASP HA 1 1 5 1937 1 1 1 ASP HB2 H -10.607 4.848 0.201 1.00 . A A . 1 ASP HB2 1 1 5 1938 1 1 1 ASP HB3 H -12.034 5.883 0.270 1.00 . A A . 1 ASP HB3 1 1 5 1939 1 1 1 ASP N N -12.161 6.342 2.759 1.00 . A A . 1 ASP N 1 1 5 1940 1 1 1 ASP O O -9.761 5.901 3.919 1.00 . A A . 1 ASP O 1 1 5 1941 1 1 1 ASP OD1 O -10.641 7.958 1.075 1.00 . A A . 1 ASP OD1 1 1 5 1942 1 1 1 ASP OD2 O -9.068 6.778 0.196 1.00 . A A . 1 ASP OD2 1 1 5 1943 1 1 2 HIS C C -6.592 4.632 2.169 1.00 . A A . 2 HIS C 1 1 5 1944 1 1 2 HIS CA C -7.718 4.323 3.157 1.00 . A A . 2 HIS CA 1 1 5 1945 1 1 2 HIS CB C -7.620 2.878 3.647 1.00 . A A . 2 HIS CB 1 1 5 1946 1 1 2 HIS CD2 C -9.996 2.279 4.594 1.00 . A A . 2 HIS CD2 1 1 5 1947 1 1 2 HIS CE1 C -9.553 2.482 6.705 1.00 . A A . 2 HIS CE1 1 1 5 1948 1 1 2 HIS CG C -8.674 2.635 4.692 1.00 . A A . 2 HIS CG 1 1 5 1949 1 1 2 HIS H H -9.220 3.869 1.678 1.00 . A A . 2 HIS H 1 1 5 1950 1 1 2 HIS HA H -7.681 5.001 3.995 1.00 . A A . 2 HIS HA 1 1 5 1951 1 1 2 HIS HB2 H -7.770 2.203 2.818 1.00 . A A . 2 HIS HB2 1 1 5 1952 1 1 2 HIS HB3 H -6.643 2.709 4.077 1.00 . A A . 2 HIS HB3 1 1 5 1953 1 1 2 HIS HD1 H -7.556 3.005 6.452 1.00 . A A . 2 HIS HD1 1 1 5 1954 1 1 2 HIS HD2 H -10.526 2.103 3.670 1.00 . A A . 2 HIS HD2 1 1 5 1955 1 1 2 HIS HE1 H -9.651 2.500 7.781 1.00 . A A . 2 HIS HE1 1 1 5 1956 1 1 2 HIS N N -9.042 4.412 2.473 1.00 . A A . 2 HIS N 1 1 5 1957 1 1 2 HIS ND1 N -8.413 2.759 6.047 1.00 . A A . 2 HIS ND1 1 1 5 1958 1 1 2 HIS NE2 N -10.550 2.182 5.868 1.00 . A A . 2 HIS NE2 1 1 5 1959 1 1 2 HIS O O -6.725 4.431 0.978 1.00 . A A . 2 HIS O 1 1 5 1960 1 1 3 VAL C C -3.082 4.722 2.191 1.00 . A A . 3 VAL C 1 1 5 1961 1 1 3 VAL CA C -4.354 5.445 1.741 1.00 . A A . 3 VAL CA 1 1 5 1962 1 1 3 VAL CB C -4.184 6.961 1.848 1.00 . A A . 3 VAL CB 1 1 5 1963 1 1 3 VAL CG1 C -5.519 7.645 1.549 1.00 . A A . 3 VAL CG1 1 1 5 1964 1 1 3 VAL CG2 C -3.733 7.326 3.266 1.00 . A A . 3 VAL CG2 1 1 5 1965 1 1 3 VAL H H -5.398 5.278 3.618 1.00 . A A . 3 VAL H 1 1 5 1966 1 1 3 VAL HA H -4.601 5.175 0.727 1.00 . A A . 3 VAL HA 1 1 5 1967 1 1 3 VAL HB H -3.442 7.292 1.136 1.00 . A A . 3 VAL HB 1 1 5 1968 1 1 3 VAL HG11 H -5.529 7.983 0.523 1.00 . A A . 3 VAL HG11 1 1 5 1969 1 1 3 VAL HG12 H -5.646 8.490 2.208 1.00 . A A . 3 VAL HG12 1 1 5 1970 1 1 3 VAL HG13 H -6.326 6.942 1.704 1.00 . A A . 3 VAL HG13 1 1 5 1971 1 1 3 VAL HG21 H -4.309 6.762 3.984 1.00 . A A . 3 VAL HG21 1 1 5 1972 1 1 3 VAL HG22 H -3.887 8.383 3.431 1.00 . A A . 3 VAL HG22 1 1 5 1973 1 1 3 VAL HG23 H -2.684 7.094 3.382 1.00 . A A . 3 VAL HG23 1 1 5 1974 1 1 3 VAL N N -5.485 5.121 2.654 1.00 . A A . 3 VAL N 1 1 5 1975 1 1 3 VAL O O -2.676 4.810 3.334 1.00 . A A . 3 VAL O 1 1 5 1976 1 1 4 CYS C C 0.012 4.182 1.453 1.00 . A A . 4 CYS C 1 1 5 1977 1 1 4 CYS CA C -1.204 3.280 1.671 1.00 . A A . 4 CYS CA 1 1 5 1978 1 1 4 CYS CB C -1.152 2.077 0.728 1.00 . A A . 4 CYS CB 1 1 5 1979 1 1 4 CYS H H -2.796 3.952 0.384 1.00 . A A . 4 CYS H 1 1 5 1980 1 1 4 CYS HA H -1.250 2.947 2.695 1.00 . A A . 4 CYS HA 1 1 5 1981 1 1 4 CYS HB2 H -1.055 2.422 -0.290 1.00 . A A . 4 CYS HB2 1 1 5 1982 1 1 4 CYS HB3 H -0.304 1.459 0.982 1.00 . A A . 4 CYS HB3 1 1 5 1983 1 1 4 CYS N N -2.451 4.009 1.300 1.00 . A A . 4 CYS N 1 1 5 1984 1 1 4 CYS O O 0.957 4.164 2.218 1.00 . A A . 4 CYS O 1 1 5 1985 1 1 4 CYS SG S -2.673 1.112 0.898 1.00 . A A . 4 CYS SG 1 1 5 1986 1 1 5 ASP C C 0.695 7.066 -0.701 1.00 . A A . 5 ASP C 1 1 5 1987 1 1 5 ASP CA C 1.148 5.876 0.146 1.00 . A A . 5 ASP CA 1 1 5 1988 1 1 5 ASP CB C 2.151 5.020 -0.628 1.00 . A A . 5 ASP CB 1 1 5 1989 1 1 5 ASP CG C 3.467 5.785 -0.780 1.00 . A A . 5 ASP CG 1 1 5 1990 1 1 5 ASP H H -0.777 4.970 -0.189 1.00 . A A . 5 ASP H 1 1 5 1991 1 1 5 ASP HA H 1.587 6.214 1.071 1.00 . A A . 5 ASP HA 1 1 5 1992 1 1 5 ASP HB2 H 2.329 4.100 -0.089 1.00 . A A . 5 ASP HB2 1 1 5 1993 1 1 5 ASP HB3 H 1.753 4.794 -1.605 1.00 . A A . 5 ASP HB3 1 1 5 1994 1 1 5 ASP N N -0.005 4.972 0.415 1.00 . A A . 5 ASP N 1 1 5 1995 1 1 5 ASP O O -0.197 6.956 -1.518 1.00 . A A . 5 ASP O 1 1 5 1996 1 1 5 ASP OD1 O 3.546 6.617 -1.669 1.00 . A A . 5 ASP OD1 1 1 5 1997 1 1 5 ASP OD2 O 4.373 5.525 -0.006 1.00 . A A . 5 ASP OD2 1 1 5 1998 1 1 6 ASP C C 0.686 9.022 -2.771 1.00 . A A . 6 ASP C 1 1 5 1999 1 1 6 ASP CA C 0.912 9.403 -1.303 1.00 . A A . 6 ASP CA 1 1 5 2000 1 1 6 ASP CB C 2.093 10.363 -1.172 1.00 . A A . 6 ASP CB 1 1 5 2001 1 1 6 ASP CG C 2.395 10.597 0.309 1.00 . A A . 6 ASP CG 1 1 5 2002 1 1 6 ASP H H 2.022 8.268 0.154 1.00 . A A . 6 ASP H 1 1 5 2003 1 1 6 ASP HA H 0.024 9.853 -0.889 1.00 . A A . 6 ASP HA 1 1 5 2004 1 1 6 ASP HB2 H 2.960 9.934 -1.655 1.00 . A A . 6 ASP HB2 1 1 5 2005 1 1 6 ASP HB3 H 1.847 11.304 -1.640 1.00 . A A . 6 ASP HB3 1 1 5 2006 1 1 6 ASP N N 1.304 8.203 -0.512 1.00 . A A . 6 ASP N 1 1 5 2007 1 1 6 ASP O O -0.116 9.622 -3.460 1.00 . A A . 6 ASP O 1 1 5 2008 1 1 6 ASP OD1 O 1.488 10.986 1.025 1.00 . A A . 6 ASP OD1 1 1 5 2009 1 1 6 ASP OD2 O 3.529 10.380 0.702 1.00 . A A . 6 ASP OD2 1 1 5 2010 1 1 7 ASN C C 0.331 6.359 -4.757 1.00 . A A . 7 ASN C 1 1 5 2011 1 1 7 ASN CA C 1.203 7.619 -4.677 1.00 . A A . 7 ASN CA 1 1 5 2012 1 1 7 ASN CB C 2.627 7.365 -5.202 1.00 . A A . 7 ASN CB 1 1 5 2013 1 1 7 ASN CG C 3.004 5.883 -5.066 1.00 . A A . 7 ASN CG 1 1 5 2014 1 1 7 ASN H H 2.027 7.558 -2.685 1.00 . A A . 7 ASN H 1 1 5 2015 1 1 7 ASN HA H 0.747 8.420 -5.238 1.00 . A A . 7 ASN HA 1 1 5 2016 1 1 7 ASN HB2 H 2.679 7.650 -6.243 1.00 . A A . 7 ASN HB2 1 1 5 2017 1 1 7 ASN HB3 H 3.326 7.962 -4.635 1.00 . A A . 7 ASN HB3 1 1 5 2018 1 1 7 ASN HD21 H 2.581 5.801 -3.127 1.00 . A A . 7 ASN HD21 1 1 5 2019 1 1 7 ASN HD22 H 3.136 4.351 -3.811 1.00 . A A . 7 ASN HD22 1 1 5 2020 1 1 7 ASN N N 1.385 8.030 -3.255 1.00 . A A . 7 ASN N 1 1 5 2021 1 1 7 ASN ND2 N 2.898 5.297 -3.904 1.00 . A A . 7 ASN ND2 1 1 5 2022 1 1 7 ASN O O 0.447 5.567 -5.671 1.00 . A A . 7 ASN O 1 1 5 2023 1 1 7 ASN OD1 O 3.397 5.255 -6.029 1.00 . A A . 7 ASN OD1 1 1 5 2024 1 1 8 PHE C C -2.649 5.212 -2.936 1.00 . A A . 8 PHE C 1 1 5 2025 1 1 8 PHE CA C -1.424 4.971 -3.821 1.00 . A A . 8 PHE CA 1 1 5 2026 1 1 8 PHE CB C -0.565 3.838 -3.257 1.00 . A A . 8 PHE CB 1 1 5 2027 1 1 8 PHE CD1 C 0.169 2.631 -5.344 1.00 . A A . 8 PHE CD1 1 1 5 2028 1 1 8 PHE CD2 C -1.468 1.574 -3.900 1.00 . A A . 8 PHE CD2 1 1 5 2029 1 1 8 PHE CE1 C 0.116 1.531 -6.209 1.00 . A A . 8 PHE CE1 1 1 5 2030 1 1 8 PHE CE2 C -1.521 0.475 -4.764 1.00 . A A . 8 PHE CE2 1 1 5 2031 1 1 8 PHE CG C -0.623 2.652 -4.189 1.00 . A A . 8 PHE CG 1 1 5 2032 1 1 8 PHE CZ C -0.729 0.452 -5.919 1.00 . A A . 8 PHE CZ 1 1 5 2033 1 1 8 PHE H H -0.619 6.826 -3.078 1.00 . A A . 8 PHE H 1 1 5 2034 1 1 8 PHE HA H -1.726 4.740 -4.830 1.00 . A A . 8 PHE HA 1 1 5 2035 1 1 8 PHE HB2 H 0.457 4.174 -3.163 1.00 . A A . 8 PHE HB2 1 1 5 2036 1 1 8 PHE HB3 H -0.941 3.551 -2.287 1.00 . A A . 8 PHE HB3 1 1 5 2037 1 1 8 PHE HD1 H 0.821 3.462 -5.568 1.00 . A A . 8 PHE HD1 1 1 5 2038 1 1 8 PHE HD2 H -2.079 1.591 -3.009 1.00 . A A . 8 PHE HD2 1 1 5 2039 1 1 8 PHE HE1 H 0.727 1.515 -7.100 1.00 . A A . 8 PHE HE1 1 1 5 2040 1 1 8 PHE HE2 H -2.173 -0.357 -4.541 1.00 . A A . 8 PHE HE2 1 1 5 2041 1 1 8 PHE HZ H -0.770 -0.396 -6.586 1.00 . A A . 8 PHE HZ 1 1 5 2042 1 1 8 PHE N N -0.541 6.174 -3.805 1.00 . A A . 8 PHE N 1 1 5 2043 1 1 8 PHE O O -2.747 6.214 -2.256 1.00 . A A . 8 PHE O 1 1 5 2044 1 1 9 SER C C -5.607 3.191 -2.025 1.00 . A A . 9 SER C 1 1 5 2045 1 1 9 SER CA C -4.804 4.493 -2.098 1.00 . A A . 9 SER CA 1 1 5 2046 1 1 9 SER CB C -5.609 5.580 -2.810 1.00 . A A . 9 SER CB 1 1 5 2047 1 1 9 SER H H -3.494 3.504 -3.495 1.00 . A A . 9 SER H 1 1 5 2048 1 1 9 SER HA H -4.532 4.824 -1.109 1.00 . A A . 9 SER HA 1 1 5 2049 1 1 9 SER HB2 H -6.585 5.660 -2.359 1.00 . A A . 9 SER HB2 1 1 5 2050 1 1 9 SER HB3 H -5.093 6.526 -2.717 1.00 . A A . 9 SER HB3 1 1 5 2051 1 1 9 SER HG H -6.687 5.277 -4.401 1.00 . A A . 9 SER HG 1 1 5 2052 1 1 9 SER N N -3.588 4.305 -2.940 1.00 . A A . 9 SER N 1 1 5 2053 1 1 9 SER O O -5.155 2.147 -2.450 1.00 . A A . 9 SER O 1 1 5 2054 1 1 9 SER OG O -5.754 5.235 -4.181 1.00 . A A . 9 SER OG 1 1 5 2055 1 1 10 CYS C C -8.899 2.288 -0.586 1.00 . A A . 10 CYS C 1 1 5 2056 1 1 10 CYS CA C -7.628 2.014 -1.394 1.00 . A A . 10 CYS CA 1 1 5 2057 1 1 10 CYS CB C -6.747 0.996 -0.671 1.00 . A A . 10 CYS CB 1 1 5 2058 1 1 10 CYS H H -7.143 4.101 -1.154 1.00 . A A . 10 CYS H 1 1 5 2059 1 1 10 CYS HA H -7.877 1.650 -2.377 1.00 . A A . 10 CYS HA 1 1 5 2060 1 1 10 CYS HB2 H -5.829 1.471 -0.359 1.00 . A A . 10 CYS HB2 1 1 5 2061 1 1 10 CYS HB3 H -7.270 0.619 0.196 1.00 . A A . 10 CYS HB3 1 1 5 2062 1 1 10 CYS N N -6.797 3.247 -1.491 1.00 . A A . 10 CYS N 1 1 5 2063 1 1 10 CYS O O -8.901 3.106 0.313 1.00 . A A . 10 CYS O 1 1 5 2064 1 1 10 CYS SG S -6.368 -0.374 -1.790 1.00 . A A . 10 CYS SG 1 1 5 2065 1 1 11 PRO C C -11.182 1.075 1.139 1.00 . A A . 11 PRO C 1 1 5 2066 1 1 11 PRO CA C -11.237 1.742 -0.238 1.00 . A A . 11 PRO CA 1 1 5 2067 1 1 11 PRO CB C -12.225 1.022 -1.150 1.00 . A A . 11 PRO CB 1 1 5 2068 1 1 11 PRO CD C -10.005 0.586 -2.009 1.00 . A A . 11 PRO CD 1 1 5 2069 1 1 11 PRO CG C -11.403 0.027 -1.908 1.00 . A A . 11 PRO CG 1 1 5 2070 1 1 11 PRO HA H -11.503 2.784 -0.151 1.00 . A A . 11 PRO HA 1 1 5 2071 1 1 11 PRO HB2 H -12.979 0.517 -0.561 1.00 . A A . 11 PRO HB2 1 1 5 2072 1 1 11 PRO HB3 H -12.684 1.719 -1.834 1.00 . A A . 11 PRO HB3 1 1 5 2073 1 1 11 PRO HD2 H -9.275 -0.196 -1.848 1.00 . A A . 11 PRO HD2 1 1 5 2074 1 1 11 PRO HD3 H -9.853 1.058 -2.967 1.00 . A A . 11 PRO HD3 1 1 5 2075 1 1 11 PRO HG2 H -11.387 -0.915 -1.380 1.00 . A A . 11 PRO HG2 1 1 5 2076 1 1 11 PRO HG3 H -11.810 -0.111 -2.897 1.00 . A A . 11 PRO HG3 1 1 5 2077 1 1 11 PRO N N -9.940 1.584 -0.937 1.00 . A A . 11 PRO N 1 1 5 2078 1 1 11 PRO O O -10.121 0.845 1.685 1.00 . A A . 11 PRO O 1 1 5 2079 1 1 12 ALA C C -12.361 -1.418 2.886 1.00 . A A . 12 ALA C 1 1 5 2080 1 1 12 ALA CA C -12.325 0.105 3.042 1.00 . A A . 12 ALA CA 1 1 5 2081 1 1 12 ALA CB C -13.604 0.603 3.714 1.00 . A A . 12 ALA CB 1 1 5 2082 1 1 12 ALA H H -13.160 0.952 1.245 1.00 . A A . 12 ALA H 1 1 5 2083 1 1 12 ALA HA H -11.464 0.407 3.616 1.00 . A A . 12 ALA HA 1 1 5 2084 1 1 12 ALA HB1 H -14.455 0.357 3.097 1.00 . A A . 12 ALA HB1 1 1 5 2085 1 1 12 ALA HB2 H -13.550 1.674 3.843 1.00 . A A . 12 ALA HB2 1 1 5 2086 1 1 12 ALA HB3 H -13.710 0.130 4.679 1.00 . A A . 12 ALA HB3 1 1 5 2087 1 1 12 ALA N N -12.315 0.760 1.702 1.00 . A A . 12 ALA N 1 1 5 2088 1 1 12 ALA O O -12.181 -2.153 3.836 1.00 . A A . 12 ALA O 1 1 5 2089 1 1 13 GLY C C -11.229 -3.930 1.368 1.00 . A A . 13 GLY C 1 1 5 2090 1 1 13 GLY CA C -12.649 -3.370 1.479 1.00 . A A . 13 GLY CA 1 1 5 2091 1 1 13 GLY H H -12.742 -1.285 0.942 1.00 . A A . 13 GLY H 1 1 5 2092 1 1 13 GLY HA2 H -13.156 -3.836 2.312 1.00 . A A . 13 GLY HA2 1 1 5 2093 1 1 13 GLY HA3 H -13.187 -3.581 0.567 1.00 . A A . 13 GLY HA3 1 1 5 2094 1 1 13 GLY N N -12.596 -1.896 1.694 1.00 . A A . 13 GLY N 1 1 5 2095 1 1 13 GLY O O -10.979 -5.077 1.681 1.00 . A A . 13 GLY O 1 1 5 2096 1 1 14 SER C C -8.039 -3.109 1.950 1.00 . A A . 14 SER C 1 1 5 2097 1 1 14 SER CA C -8.896 -3.630 0.793 1.00 . A A . 14 SER CA 1 1 5 2098 1 1 14 SER CB C -8.396 -3.071 -0.538 1.00 . A A . 14 SER CB 1 1 5 2099 1 1 14 SER H H -10.515 -2.210 0.674 1.00 . A A . 14 SER H 1 1 5 2100 1 1 14 SER HA H -8.880 -4.707 0.769 1.00 . A A . 14 SER HA 1 1 5 2101 1 1 14 SER HB2 H -9.145 -2.425 -0.964 1.00 . A A . 14 SER HB2 1 1 5 2102 1 1 14 SER HB3 H -7.490 -2.504 -0.370 1.00 . A A . 14 SER HB3 1 1 5 2103 1 1 14 SER HG H -7.576 -3.817 -2.138 1.00 . A A . 14 SER HG 1 1 5 2104 1 1 14 SER N N -10.296 -3.133 0.923 1.00 . A A . 14 SER N 1 1 5 2105 1 1 14 SER O O -8.513 -2.395 2.813 1.00 . A A . 14 SER O 1 1 5 2106 1 1 14 SER OG O -8.139 -4.146 -1.433 1.00 . A A . 14 SER OG 1 1 5 2107 1 1 15 THR C C -4.527 -2.589 2.521 1.00 . A A . 15 THR C 1 1 5 2108 1 1 15 THR CA C -5.898 -2.983 3.076 1.00 . A A . 15 THR CA 1 1 5 2109 1 1 15 THR CB C -5.768 -4.176 4.024 1.00 . A A . 15 THR CB 1 1 5 2110 1 1 15 THR CG2 C -6.694 -3.982 5.226 1.00 . A A . 15 THR CG2 1 1 5 2111 1 1 15 THR H H -6.421 -4.035 1.269 1.00 . A A . 15 THR H 1 1 5 2112 1 1 15 THR HA H -6.350 -2.150 3.591 1.00 . A A . 15 THR HA 1 1 5 2113 1 1 15 THR HB H -4.749 -4.251 4.370 1.00 . A A . 15 THR HB 1 1 5 2114 1 1 15 THR HG1 H -5.344 -5.922 3.279 1.00 . A A . 15 THR HG1 1 1 5 2115 1 1 15 THR HG21 H -6.464 -4.720 5.980 1.00 . A A . 15 THR HG21 1 1 5 2116 1 1 15 THR HG22 H -7.721 -4.098 4.911 1.00 . A A . 15 THR HG22 1 1 5 2117 1 1 15 THR HG23 H -6.551 -2.992 5.635 1.00 . A A . 15 THR HG23 1 1 5 2118 1 1 15 THR N N -6.782 -3.459 1.975 1.00 . A A . 15 THR N 1 1 5 2119 1 1 15 THR O O -4.179 -2.917 1.403 1.00 . A A . 15 THR O 1 1 5 2120 1 1 15 THR OG1 O -6.125 -5.366 3.335 1.00 . A A . 15 THR OG1 1 1 5 2121 1 1 16 CYS C C -1.361 -2.543 3.151 1.00 . A A . 16 CYS C 1 1 5 2122 1 1 16 CYS CA C -2.399 -1.470 2.816 1.00 . A A . 16 CYS CA 1 1 5 2123 1 1 16 CYS CB C -2.098 -0.175 3.572 1.00 . A A . 16 CYS CB 1 1 5 2124 1 1 16 CYS H H -4.048 -1.633 4.191 1.00 . A A . 16 CYS H 1 1 5 2125 1 1 16 CYS HA H -2.417 -1.279 1.754 1.00 . A A . 16 CYS HA 1 1 5 2126 1 1 16 CYS HB2 H -2.351 -0.302 4.614 1.00 . A A . 16 CYS HB2 1 1 5 2127 1 1 16 CYS HB3 H -1.048 0.060 3.482 1.00 . A A . 16 CYS HB3 1 1 5 2128 1 1 16 CYS N N -3.747 -1.887 3.294 1.00 . A A . 16 CYS N 1 1 5 2129 1 1 16 CYS O O -1.060 -2.792 4.301 1.00 . A A . 16 CYS O 1 1 5 2130 1 1 16 CYS SG S -3.083 1.173 2.874 1.00 . A A . 16 CYS SG 1 1 5 2131 1 1 17 SER C C 1.459 -3.610 3.051 1.00 . A A . 17 SER C 1 1 5 2132 1 1 17 SER CA C 0.209 -4.238 2.422 1.00 . A A . 17 SER CA 1 1 5 2133 1 1 17 SER CB C 0.524 -4.842 1.053 1.00 . A A . 17 SER CB 1 1 5 2134 1 1 17 SER H H -1.064 -2.968 1.234 1.00 . A A . 17 SER H 1 1 5 2135 1 1 17 SER HA H -0.198 -4.996 3.073 1.00 . A A . 17 SER HA 1 1 5 2136 1 1 17 SER HB2 H -0.372 -5.258 0.626 1.00 . A A . 17 SER HB2 1 1 5 2137 1 1 17 SER HB3 H 0.906 -4.067 0.400 1.00 . A A . 17 SER HB3 1 1 5 2138 1 1 17 SER HG H 1.438 -6.201 2.105 1.00 . A A . 17 SER HG 1 1 5 2139 1 1 17 SER N N -0.811 -3.183 2.155 1.00 . A A . 17 SER N 1 1 5 2140 1 1 17 SER O O 1.450 -3.222 4.202 1.00 . A A . 17 SER O 1 1 5 2141 1 1 17 SER OG O 1.494 -5.870 1.206 1.00 . A A . 17 SER OG 1 1 5 2142 1 1 18 SER C C 4.972 -3.116 1.961 1.00 . A A . 18 SER C 1 1 5 2143 1 1 18 SER CA C 3.771 -2.883 2.884 1.00 . A A . 18 SER CA 1 1 5 2144 1 1 18 SER CB C 3.991 -3.581 4.226 1.00 . A A . 18 SER CB 1 1 5 2145 1 1 18 SER H H 2.532 -3.804 1.384 1.00 . A A . 18 SER H 1 1 5 2146 1 1 18 SER HA H 3.621 -1.828 3.039 1.00 . A A . 18 SER HA 1 1 5 2147 1 1 18 SER HB2 H 3.246 -4.346 4.364 1.00 . A A . 18 SER HB2 1 1 5 2148 1 1 18 SER HB3 H 4.975 -4.033 4.240 1.00 . A A . 18 SER HB3 1 1 5 2149 1 1 18 SER HG H 4.192 -1.783 4.941 1.00 . A A . 18 SER HG 1 1 5 2150 1 1 18 SER N N 2.536 -3.496 2.311 1.00 . A A . 18 SER N 1 1 5 2151 1 1 18 SER O O 5.455 -4.222 1.818 1.00 . A A . 18 SER O 1 1 5 2152 1 1 18 SER OG O 3.881 -2.628 5.275 1.00 . A A . 18 SER OG 1 1 5 2153 1 1 19 ALA C C 6.283 -3.059 -0.788 1.00 . A A . 19 ALA C 1 1 5 2154 1 1 19 ALA CA C 6.637 -2.215 0.437 1.00 . A A . 19 ALA CA 1 1 5 2155 1 1 19 ALA CB C 7.709 -2.910 1.274 1.00 . A A . 19 ALA CB 1 1 5 2156 1 1 19 ALA H H 5.056 -1.194 1.484 1.00 . A A . 19 ALA H 1 1 5 2157 1 1 19 ALA HA H 6.987 -1.242 0.130 1.00 . A A . 19 ALA HA 1 1 5 2158 1 1 19 ALA HB1 H 8.684 -2.547 0.981 1.00 . A A . 19 ALA HB1 1 1 5 2159 1 1 19 ALA HB2 H 7.659 -3.976 1.111 1.00 . A A . 19 ALA HB2 1 1 5 2160 1 1 19 ALA HB3 H 7.545 -2.696 2.319 1.00 . A A . 19 ALA HB3 1 1 5 2161 1 1 19 ALA N N 5.460 -2.076 1.344 1.00 . A A . 19 ALA N 1 1 5 2162 1 1 19 ALA O O 5.169 -3.517 -0.941 1.00 . A A . 19 ALA O 1 1 5 2163 1 1 20 PHE C C 6.232 -5.349 -2.552 1.00 . A A . 20 PHE C 1 1 5 2164 1 1 20 PHE CA C 6.956 -4.043 -2.899 1.00 . A A . 20 PHE CA 1 1 5 2165 1 1 20 PHE CB C 8.336 -4.326 -3.490 1.00 . A A . 20 PHE CB 1 1 5 2166 1 1 20 PHE CD1 C 9.211 -2.024 -3.998 1.00 . A A . 20 PHE CD1 1 1 5 2167 1 1 20 PHE CD2 C 8.495 -3.427 -5.839 1.00 . A A . 20 PHE CD2 1 1 5 2168 1 1 20 PHE CE1 C 9.538 -1.006 -4.899 1.00 . A A . 20 PHE CE1 1 1 5 2169 1 1 20 PHE CE2 C 8.823 -2.409 -6.743 1.00 . A A . 20 PHE CE2 1 1 5 2170 1 1 20 PHE CG C 8.690 -3.234 -4.467 1.00 . A A . 20 PHE CG 1 1 5 2171 1 1 20 PHE CZ C 9.344 -1.197 -6.272 1.00 . A A . 20 PHE CZ 1 1 5 2172 1 1 20 PHE H H 8.112 -2.856 -1.527 1.00 . A A . 20 PHE H 1 1 5 2173 1 1 20 PHE HA H 6.373 -3.463 -3.596 1.00 . A A . 20 PHE HA 1 1 5 2174 1 1 20 PHE HB2 H 9.069 -4.350 -2.698 1.00 . A A . 20 PHE HB2 1 1 5 2175 1 1 20 PHE HB3 H 8.323 -5.276 -4.002 1.00 . A A . 20 PHE HB3 1 1 5 2176 1 1 20 PHE HD1 H 9.361 -1.876 -2.938 1.00 . A A . 20 PHE HD1 1 1 5 2177 1 1 20 PHE HD2 H 8.093 -4.363 -6.201 1.00 . A A . 20 PHE HD2 1 1 5 2178 1 1 20 PHE HE1 H 9.940 -0.073 -4.536 1.00 . A A . 20 PHE HE1 1 1 5 2179 1 1 20 PHE HE2 H 8.672 -2.558 -7.803 1.00 . A A . 20 PHE HE2 1 1 5 2180 1 1 20 PHE HZ H 9.596 -0.411 -6.968 1.00 . A A . 20 PHE HZ 1 1 5 2181 1 1 20 PHE N N 7.225 -3.248 -1.669 1.00 . A A . 20 PHE N 1 1 5 2182 1 1 20 PHE O O 5.987 -5.649 -1.400 1.00 . A A . 20 PHE O 1 1 5 2183 1 1 21 GLY C C 6.157 -8.571 -3.291 1.00 . A A . 21 GLY C 1 1 5 2184 1 1 21 GLY CA C 5.167 -7.404 -3.275 1.00 . A A . 21 GLY CA 1 1 5 2185 1 1 21 GLY H H 6.086 -5.861 -4.465 1.00 . A A . 21 GLY H 1 1 5 2186 1 1 21 GLY HA2 H 4.689 -7.350 -2.308 1.00 . A A . 21 GLY HA2 1 1 5 2187 1 1 21 GLY HA3 H 4.420 -7.562 -4.037 1.00 . A A . 21 GLY HA3 1 1 5 2188 1 1 21 GLY N N 5.883 -6.124 -3.543 1.00 . A A . 21 GLY N 1 1 5 2189 1 1 21 GLY O O 5.796 -9.703 -3.042 1.00 . A A . 21 GLY O 1 1 5 2190 1 1 22 PHE C C 9.712 -8.950 -2.956 1.00 . A A . 22 PHE C 1 1 5 2191 1 1 22 PHE CA C 8.403 -9.414 -3.606 1.00 . A A . 22 PHE CA 1 1 5 2192 1 1 22 PHE CB C 8.607 -9.732 -5.089 1.00 . A A . 22 PHE CB 1 1 5 2193 1 1 22 PHE CD1 C 9.405 -12.091 -4.699 1.00 . A A . 22 PHE CD1 1 1 5 2194 1 1 22 PHE CD2 C 10.848 -10.557 -5.903 1.00 . A A . 22 PHE CD2 1 1 5 2195 1 1 22 PHE CE1 C 10.368 -13.100 -4.832 1.00 . A A . 22 PHE CE1 1 1 5 2196 1 1 22 PHE CE2 C 11.809 -11.566 -6.036 1.00 . A A . 22 PHE CE2 1 1 5 2197 1 1 22 PHE CG C 9.645 -10.820 -5.235 1.00 . A A . 22 PHE CG 1 1 5 2198 1 1 22 PHE CZ C 11.570 -12.837 -5.501 1.00 . A A . 22 PHE CZ 1 1 5 2199 1 1 22 PHE H H 7.678 -7.390 -3.777 1.00 . A A . 22 PHE H 1 1 5 2200 1 1 22 PHE HA H 8.018 -10.280 -3.093 1.00 . A A . 22 PHE HA 1 1 5 2201 1 1 22 PHE HB2 H 7.673 -10.065 -5.516 1.00 . A A . 22 PHE HB2 1 1 5 2202 1 1 22 PHE HB3 H 8.941 -8.844 -5.606 1.00 . A A . 22 PHE HB3 1 1 5 2203 1 1 22 PHE HD1 H 8.478 -12.295 -4.183 1.00 . A A . 22 PHE HD1 1 1 5 2204 1 1 22 PHE HD2 H 11.032 -9.577 -6.316 1.00 . A A . 22 PHE HD2 1 1 5 2205 1 1 22 PHE HE1 H 10.182 -14.080 -4.419 1.00 . A A . 22 PHE HE1 1 1 5 2206 1 1 22 PHE HE2 H 12.736 -11.365 -6.552 1.00 . A A . 22 PHE HE2 1 1 5 2207 1 1 22 PHE HZ H 12.311 -13.615 -5.604 1.00 . A A . 22 PHE HZ 1 1 5 2208 1 1 22 PHE N N 7.401 -8.309 -3.580 1.00 . A A . 22 PHE N 1 1 5 2209 1 1 22 PHE O O 9.855 -8.970 -1.750 1.00 . A A . 22 PHE O 1 1 5 2210 1 1 23 ARG C C 11.752 -6.715 -2.449 1.00 . A A . 23 ARG C 1 1 5 2211 1 1 23 ARG CA C 11.955 -8.061 -3.151 1.00 . A A . 23 ARG CA 1 1 5 2212 1 1 23 ARG CB C 12.906 -7.911 -4.342 1.00 . A A . 23 ARG CB 1 1 5 2213 1 1 23 ARG CD C 14.765 -9.490 -4.892 1.00 . A A . 23 ARG CD 1 1 5 2214 1 1 23 ARG CG C 14.308 -8.378 -3.945 1.00 . A A . 23 ARG CG 1 1 5 2215 1 1 23 ARG CZ C 16.966 -10.300 -5.517 1.00 . A A . 23 ARG CZ 1 1 5 2216 1 1 23 ARG H H 10.539 -8.510 -4.709 1.00 . A A . 23 ARG H 1 1 5 2217 1 1 23 ARG HA H 12.342 -8.793 -2.460 1.00 . A A . 23 ARG HA 1 1 5 2218 1 1 23 ARG HB2 H 12.546 -8.509 -5.166 1.00 . A A . 23 ARG HB2 1 1 5 2219 1 1 23 ARG HB3 H 12.946 -6.874 -4.641 1.00 . A A . 23 ARG HB3 1 1 5 2220 1 1 23 ARG HD2 H 14.464 -10.456 -4.509 1.00 . A A . 23 ARG HD2 1 1 5 2221 1 1 23 ARG HD3 H 14.362 -9.333 -5.880 1.00 . A A . 23 ARG HD3 1 1 5 2222 1 1 23 ARG HE H 16.695 -8.618 -4.499 1.00 . A A . 23 ARG HE 1 1 5 2223 1 1 23 ARG HG2 H 14.995 -7.546 -4.005 1.00 . A A . 23 ARG HG2 1 1 5 2224 1 1 23 ARG HG3 H 14.289 -8.756 -2.933 1.00 . A A . 23 ARG HG3 1 1 5 2225 1 1 23 ARG HH11 H 15.382 -11.323 -6.195 1.00 . A A . 23 ARG HH11 1 1 5 2226 1 1 23 ARG HH12 H 16.929 -11.979 -6.610 1.00 . A A . 23 ARG HH12 1 1 5 2227 1 1 23 ARG HH21 H 18.720 -9.497 -4.984 1.00 . A A . 23 ARG HH21 1 1 5 2228 1 1 23 ARG HH22 H 18.818 -10.946 -5.927 1.00 . A A . 23 ARG HH22 1 1 5 2229 1 1 23 ARG N N 10.668 -8.527 -3.740 1.00 . A A . 23 ARG N 1 1 5 2230 1 1 23 ARG NE N 16.252 -9.381 -4.924 1.00 . A A . 23 ARG NE 1 1 5 2231 1 1 23 ARG NH1 N 16.380 -11.276 -6.157 1.00 . A A . 23 ARG NH1 1 1 5 2232 1 1 23 ARG NH2 N 18.270 -10.243 -5.472 1.00 . A A . 23 ARG NH2 1 1 5 2233 1 1 23 ARG O O 10.675 -6.409 -1.974 1.00 . A A . 23 ARG O 1 1 5 2234 1 1 24 ASN C C 13.033 -3.465 -2.688 1.00 . A A . 24 ASN C 1 1 5 2235 1 1 24 ASN CA C 12.638 -4.581 -1.715 1.00 . A A . 24 ASN CA 1 1 5 2236 1 1 24 ASN CB C 13.600 -4.628 -0.525 1.00 . A A . 24 ASN CB 1 1 5 2237 1 1 24 ASN CG C 14.904 -5.318 -0.937 1.00 . A A . 24 ASN CG 1 1 5 2238 1 1 24 ASN H H 13.630 -6.171 -2.774 1.00 . A A . 24 ASN H 1 1 5 2239 1 1 24 ASN HA H 11.627 -4.437 -1.367 1.00 . A A . 24 ASN HA 1 1 5 2240 1 1 24 ASN HB2 H 13.814 -3.621 -0.198 1.00 . A A . 24 ASN HB2 1 1 5 2241 1 1 24 ASN HB3 H 13.145 -5.179 0.284 1.00 . A A . 24 ASN HB3 1 1 5 2242 1 1 24 ASN HD21 H 14.796 -6.688 0.497 1.00 . A A . 24 ASN HD21 1 1 5 2243 1 1 24 ASN HD22 H 16.151 -6.806 -0.518 1.00 . A A . 24 ASN HD22 1 1 5 2244 1 1 24 ASN N N 12.773 -5.908 -2.383 1.00 . A A . 24 ASN N 1 1 5 2245 1 1 24 ASN ND2 N 15.318 -6.357 -0.264 1.00 . A A . 24 ASN ND2 1 1 5 2246 1 1 24 ASN O O 13.752 -2.550 -2.341 1.00 . A A . 24 ASN O 1 1 5 2247 1 1 24 ASN OD1 O 15.550 -4.908 -1.881 1.00 . A A . 24 ASN OD1 1 1 5 2248 1 1 25 LEU C C 12.863 -1.100 -4.273 1.00 . A A . 25 LEU C 1 1 5 2249 1 1 25 LEU CA C 12.910 -2.494 -4.910 1.00 . A A . 25 LEU CA 1 1 5 2250 1 1 25 LEU CB C 11.838 -2.631 -5.993 1.00 . A A . 25 LEU CB 1 1 5 2251 1 1 25 LEU CD1 C 11.147 -4.896 -6.796 1.00 . A A . 25 LEU CD1 1 1 5 2252 1 1 25 LEU CD2 C 12.247 -3.292 -8.369 1.00 . A A . 25 LEU CD2 1 1 5 2253 1 1 25 LEU CG C 12.200 -3.792 -6.922 1.00 . A A . 25 LEU CG 1 1 5 2254 1 1 25 LEU H H 11.990 -4.292 -4.159 1.00 . A A . 25 LEU H 1 1 5 2255 1 1 25 LEU HA H 13.884 -2.682 -5.332 1.00 . A A . 25 LEU HA 1 1 5 2256 1 1 25 LEU HB2 H 10.882 -2.825 -5.530 1.00 . A A . 25 LEU HB2 1 1 5 2257 1 1 25 LEU HB3 H 11.784 -1.717 -6.566 1.00 . A A . 25 LEU HB3 1 1 5 2258 1 1 25 LEU HD11 H 10.647 -4.811 -5.841 1.00 . A A . 25 LEU HD11 1 1 5 2259 1 1 25 LEU HD12 H 11.627 -5.861 -6.865 1.00 . A A . 25 LEU HD12 1 1 5 2260 1 1 25 LEU HD13 H 10.423 -4.796 -7.591 1.00 . A A . 25 LEU HD13 1 1 5 2261 1 1 25 LEU HD21 H 11.573 -2.455 -8.482 1.00 . A A . 25 LEU HD21 1 1 5 2262 1 1 25 LEU HD22 H 11.947 -4.088 -9.034 1.00 . A A . 25 LEU HD22 1 1 5 2263 1 1 25 LEU HD23 H 13.252 -2.981 -8.609 1.00 . A A . 25 LEU HD23 1 1 5 2264 1 1 25 LEU HG H 13.167 -4.185 -6.645 1.00 . A A . 25 LEU HG 1 1 5 2265 1 1 25 LEU N N 12.567 -3.541 -3.904 1.00 . A A . 25 LEU N 1 1 5 2266 1 1 25 LEU O O 13.595 -0.208 -4.653 1.00 . A A . 25 LEU O 1 1 5 2267 1 1 26 SER C C 10.830 0.413 -1.567 1.00 . A A . 26 SER C 1 1 5 2268 1 1 26 SER CA C 11.922 0.429 -2.643 1.00 . A A . 26 SER CA 1 1 5 2269 1 1 26 SER CB C 11.570 1.412 -3.760 1.00 . A A . 26 SER CB 1 1 5 2270 1 1 26 SER H H 11.431 -1.641 -3.010 1.00 . A A . 26 SER H 1 1 5 2271 1 1 26 SER HA H 12.872 0.694 -2.206 1.00 . A A . 26 SER HA 1 1 5 2272 1 1 26 SER HB2 H 11.591 0.905 -4.710 1.00 . A A . 26 SER HB2 1 1 5 2273 1 1 26 SER HB3 H 10.580 1.813 -3.591 1.00 . A A . 26 SER HB3 1 1 5 2274 1 1 26 SER HG H 12.048 3.295 -3.885 1.00 . A A . 26 SER HG 1 1 5 2275 1 1 26 SER N N 12.010 -0.906 -3.305 1.00 . A A . 26 SER N 1 1 5 2276 1 1 26 SER O O 11.111 0.299 -0.391 1.00 . A A . 26 SER O 1 1 5 2277 1 1 26 SER OG O 12.523 2.468 -3.773 1.00 . A A . 26 SER OG 1 1 5 2278 1 1 27 LEU C C 7.110 0.520 -1.603 1.00 . A A . 27 LEU C 1 1 5 2279 1 1 27 LEU CA C 8.494 0.506 -0.936 1.00 . A A . 27 LEU CA 1 1 5 2280 1 1 27 LEU CB C 8.728 1.769 -0.089 1.00 . A A . 27 LEU CB 1 1 5 2281 1 1 27 LEU CD1 C 8.343 4.225 0.117 1.00 . A A . 27 LEU CD1 1 1 5 2282 1 1 27 LEU CD2 C 8.313 3.155 -2.142 1.00 . A A . 27 LEU CD2 1 1 5 2283 1 1 27 LEU CG C 7.960 2.967 -0.662 1.00 . A A . 27 LEU CG 1 1 5 2284 1 1 27 LEU H H 9.370 0.611 -2.904 1.00 . A A . 27 LEU H 1 1 5 2285 1 1 27 LEU HA H 8.589 -0.368 -0.311 1.00 . A A . 27 LEU HA 1 1 5 2286 1 1 27 LEU HB2 H 8.395 1.585 0.921 1.00 . A A . 27 LEU HB2 1 1 5 2287 1 1 27 LEU HB3 H 9.784 1.997 -0.079 1.00 . A A . 27 LEU HB3 1 1 5 2288 1 1 27 LEU HD11 H 7.893 5.090 -0.347 1.00 . A A . 27 LEU HD11 1 1 5 2289 1 1 27 LEU HD12 H 9.418 4.335 0.119 1.00 . A A . 27 LEU HD12 1 1 5 2290 1 1 27 LEU HD13 H 7.990 4.138 1.135 1.00 . A A . 27 LEU HD13 1 1 5 2291 1 1 27 LEU HD21 H 7.552 3.757 -2.618 1.00 . A A . 27 LEU HD21 1 1 5 2292 1 1 27 LEU HD22 H 8.364 2.192 -2.630 1.00 . A A . 27 LEU HD22 1 1 5 2293 1 1 27 LEU HD23 H 9.268 3.652 -2.226 1.00 . A A . 27 LEU HD23 1 1 5 2294 1 1 27 LEU HG H 6.899 2.796 -0.561 1.00 . A A . 27 LEU HG 1 1 5 2295 1 1 27 LEU N N 9.585 0.521 -1.954 1.00 . A A . 27 LEU N 1 1 5 2296 1 1 27 LEU O O 6.133 0.929 -1.009 1.00 . A A . 27 LEU O 1 1 5 2297 1 1 28 VAL C C 4.640 -0.552 -2.554 1.00 . A A . 28 VAL C 1 1 5 2298 1 1 28 VAL CA C 5.683 0.046 -3.502 1.00 . A A . 28 VAL CA 1 1 5 2299 1 1 28 VAL CB C 5.882 -0.842 -4.735 1.00 . A A . 28 VAL CB 1 1 5 2300 1 1 28 VAL CG1 C 4.531 -1.366 -5.229 1.00 . A A . 28 VAL CG1 1 1 5 2301 1 1 28 VAL CG2 C 6.541 -0.024 -5.848 1.00 . A A . 28 VAL CG2 1 1 5 2302 1 1 28 VAL H H 7.805 -0.275 -3.288 1.00 . A A . 28 VAL H 1 1 5 2303 1 1 28 VAL HA H 5.398 1.041 -3.802 1.00 . A A . 28 VAL HA 1 1 5 2304 1 1 28 VAL HB H 6.517 -1.676 -4.477 1.00 . A A . 28 VAL HB 1 1 5 2305 1 1 28 VAL HG11 H 4.068 -1.957 -4.454 1.00 . A A . 28 VAL HG11 1 1 5 2306 1 1 28 VAL HG12 H 4.682 -1.978 -6.106 1.00 . A A . 28 VAL HG12 1 1 5 2307 1 1 28 VAL HG13 H 3.891 -0.533 -5.481 1.00 . A A . 28 VAL HG13 1 1 5 2308 1 1 28 VAL HG21 H 5.791 0.567 -6.353 1.00 . A A . 28 VAL HG21 1 1 5 2309 1 1 28 VAL HG22 H 7.008 -0.691 -6.555 1.00 . A A . 28 VAL HG22 1 1 5 2310 1 1 28 VAL HG23 H 7.287 0.630 -5.422 1.00 . A A . 28 VAL HG23 1 1 5 2311 1 1 28 VAL N N 7.012 0.063 -2.824 1.00 . A A . 28 VAL N 1 1 5 2312 1 1 28 VAL O O 4.964 -1.014 -1.481 1.00 . A A . 28 VAL O 1 1 5 2313 1 1 29 TRP C C 1.444 -2.071 -2.766 1.00 . A A . 29 TRP C 1 1 5 2314 1 1 29 TRP CA C 2.363 -1.111 -2.011 1.00 . A A . 29 TRP CA 1 1 5 2315 1 1 29 TRP CB C 1.594 0.100 -1.495 1.00 . A A . 29 TRP CB 1 1 5 2316 1 1 29 TRP CD1 C 3.508 1.712 -1.146 1.00 . A A . 29 TRP CD1 1 1 5 2317 1 1 29 TRP CD2 C 2.552 1.068 0.785 1.00 . A A . 29 TRP CD2 1 1 5 2318 1 1 29 TRP CE2 C 3.596 1.959 1.127 1.00 . A A . 29 TRP CE2 1 1 5 2319 1 1 29 TRP CE3 C 1.786 0.511 1.823 1.00 . A A . 29 TRP CE3 1 1 5 2320 1 1 29 TRP CG C 2.514 0.932 -0.664 1.00 . A A . 29 TRP CG 1 1 5 2321 1 1 29 TRP CH2 C 3.102 1.723 3.476 1.00 . A A . 29 TRP CH2 1 1 5 2322 1 1 29 TRP CZ2 C 3.872 2.287 2.454 1.00 . A A . 29 TRP CZ2 1 1 5 2323 1 1 29 TRP CZ3 C 2.061 0.836 3.161 1.00 . A A . 29 TRP CZ3 1 1 5 2324 1 1 29 TRP H H 3.134 -0.159 -3.786 1.00 . A A . 29 TRP H 1 1 5 2325 1 1 29 TRP HA H 2.835 -1.619 -1.186 1.00 . A A . 29 TRP HA 1 1 5 2326 1 1 29 TRP HB2 H 1.230 0.682 -2.330 1.00 . A A . 29 TRP HB2 1 1 5 2327 1 1 29 TRP HB3 H 0.760 -0.230 -0.893 1.00 . A A . 29 TRP HB3 1 1 5 2328 1 1 29 TRP HD1 H 3.760 1.836 -2.189 1.00 . A A . 29 TRP HD1 1 1 5 2329 1 1 29 TRP HE1 H 4.903 2.945 -0.161 1.00 . A A . 29 TRP HE1 1 1 5 2330 1 1 29 TRP HE3 H 0.983 -0.173 1.590 1.00 . A A . 29 TRP HE3 1 1 5 2331 1 1 29 TRP HH2 H 3.309 1.970 4.506 1.00 . A A . 29 TRP HH2 1 1 5 2332 1 1 29 TRP HZ2 H 4.674 2.969 2.691 1.00 . A A . 29 TRP HZ2 1 1 5 2333 1 1 29 TRP HZ3 H 1.469 0.399 3.951 1.00 . A A . 29 TRP HZ3 1 1 5 2334 1 1 29 TRP N N 3.393 -0.543 -2.923 1.00 . A A . 29 TRP N 1 1 5 2335 1 1 29 TRP NE1 N 4.148 2.325 -0.085 1.00 . A A . 29 TRP NE1 1 1 5 2336 1 1 29 TRP O O 1.005 -1.795 -3.866 1.00 . A A . 29 TRP O 1 1 5 2337 1 1 30 GLY C C -1.071 -4.266 -2.134 1.00 . A A . 30 GLY C 1 1 5 2338 1 1 30 GLY CA C 0.269 -4.187 -2.864 1.00 . A A . 30 GLY CA 1 1 5 2339 1 1 30 GLY H H 1.526 -3.403 -1.294 1.00 . A A . 30 GLY H 1 1 5 2340 1 1 30 GLY HA2 H 0.106 -3.876 -3.886 1.00 . A A . 30 GLY HA2 1 1 5 2341 1 1 30 GLY HA3 H 0.738 -5.159 -2.853 1.00 . A A . 30 GLY HA3 1 1 5 2342 1 1 30 GLY N N 1.155 -3.202 -2.183 1.00 . A A . 30 GLY N 1 1 5 2343 1 1 30 GLY O O -1.304 -5.156 -1.338 1.00 . A A . 30 GLY O 1 1 5 2344 1 1 31 CYS C C -3.939 -4.746 -1.901 1.00 . A A . 31 CYS C 1 1 5 2345 1 1 31 CYS CA C -3.283 -3.374 -1.717 1.00 . A A . 31 CYS CA 1 1 5 2346 1 1 31 CYS CB C -4.106 -2.285 -2.405 1.00 . A A . 31 CYS CB 1 1 5 2347 1 1 31 CYS H H -1.751 -2.638 -3.043 1.00 . A A . 31 CYS H 1 1 5 2348 1 1 31 CYS HA H -3.174 -3.146 -0.668 1.00 . A A . 31 CYS HA 1 1 5 2349 1 1 31 CYS HB2 H -3.524 -1.845 -3.202 1.00 . A A . 31 CYS HB2 1 1 5 2350 1 1 31 CYS HB3 H -5.006 -2.718 -2.814 1.00 . A A . 31 CYS HB3 1 1 5 2351 1 1 31 CYS N N -1.957 -3.346 -2.396 1.00 . A A . 31 CYS N 1 1 5 2352 1 1 31 CYS O O -3.734 -5.413 -2.895 1.00 . A A . 31 CYS O 1 1 5 2353 1 1 31 CYS SG S -4.544 -1.009 -1.199 1.00 . A A . 31 CYS SG 1 1 5 2354 1 1 32 SER C C -6.782 -6.461 -0.443 1.00 . A A . 32 SER C 1 1 5 2355 1 1 32 SER CA C -5.386 -6.502 -1.069 1.00 . A A . 32 SER CA 1 1 5 2356 1 1 32 SER CB C -4.482 -7.466 -0.298 1.00 . A A . 32 SER CB 1 1 5 2357 1 1 32 SER H H -4.872 -4.620 -0.152 1.00 . A A . 32 SER H 1 1 5 2358 1 1 32 SER HA H -5.445 -6.802 -2.103 1.00 . A A . 32 SER HA 1 1 5 2359 1 1 32 SER HB2 H -4.297 -7.075 0.689 1.00 . A A . 32 SER HB2 1 1 5 2360 1 1 32 SER HB3 H -4.970 -8.428 -0.217 1.00 . A A . 32 SER HB3 1 1 5 2361 1 1 32 SER HG H -2.545 -7.634 -0.332 1.00 . A A . 32 SER HG 1 1 5 2362 1 1 32 SER N N -4.723 -5.172 -0.947 1.00 . A A . 32 SER N 1 1 5 2363 1 1 32 SER O O -6.976 -5.882 0.608 1.00 . A A . 32 SER O 1 1 5 2364 1 1 32 SER OG O -3.246 -7.603 -0.986 1.00 . A A . 32 SER OG 1 1 5 2365 1 1 33 PRO C C -9.228 -8.059 0.583 1.00 . A A . 33 PRO C 1 1 5 2366 1 1 33 PRO CA C -9.110 -7.125 -0.625 1.00 . A A . 33 PRO CA 1 1 5 2367 1 1 33 PRO CB C -9.889 -7.679 -1.815 1.00 . A A . 33 PRO CB 1 1 5 2368 1 1 33 PRO CD C -7.548 -7.798 -2.386 1.00 . A A . 33 PRO CD 1 1 5 2369 1 1 33 PRO CG C -8.885 -8.458 -2.603 1.00 . A A . 33 PRO CG 1 1 5 2370 1 1 33 PRO HA H -9.461 -6.136 -0.381 1.00 . A A . 33 PRO HA 1 1 5 2371 1 1 33 PRO HB2 H -10.687 -8.326 -1.472 1.00 . A A . 33 PRO HB2 1 1 5 2372 1 1 33 PRO HB3 H -10.285 -6.874 -2.414 1.00 . A A . 33 PRO HB3 1 1 5 2373 1 1 33 PRO HD2 H -6.767 -8.542 -2.310 1.00 . A A . 33 PRO HD2 1 1 5 2374 1 1 33 PRO HD3 H -7.335 -7.101 -3.181 1.00 . A A . 33 PRO HD3 1 1 5 2375 1 1 33 PRO HG2 H -8.856 -9.481 -2.254 1.00 . A A . 33 PRO HG2 1 1 5 2376 1 1 33 PRO HG3 H -9.136 -8.432 -3.651 1.00 . A A . 33 PRO HG3 1 1 5 2377 1 1 33 PRO N N -7.711 -7.082 -1.116 1.00 . A A . 33 PRO N 1 1 5 2378 1 1 33 PRO O O -8.951 -9.238 0.498 1.00 . A A . 33 PRO O 1 1 5 2379 1 1 34 VAL C C -10.979 -9.342 2.754 1.00 . A A . 34 VAL C 1 1 5 2380 1 1 34 VAL CA C -9.781 -8.402 2.917 1.00 . A A . 34 VAL CA 1 1 5 2381 1 1 34 VAL CB C -10.018 -7.427 4.072 1.00 . A A . 34 VAL CB 1 1 5 2382 1 1 34 VAL CG1 C -9.971 -8.185 5.400 1.00 . A A . 34 VAL CG1 1 1 5 2383 1 1 34 VAL CG2 C -8.930 -6.353 4.060 1.00 . A A . 34 VAL CG2 1 1 5 2384 1 1 34 VAL H H -9.864 -6.588 1.756 1.00 . A A . 34 VAL H 1 1 5 2385 1 1 34 VAL HA H -8.878 -8.964 3.087 1.00 . A A . 34 VAL HA 1 1 5 2386 1 1 34 VAL HB H -10.988 -6.963 3.957 1.00 . A A . 34 VAL HB 1 1 5 2387 1 1 34 VAL HG11 H -10.314 -7.540 6.195 1.00 . A A . 34 VAL HG11 1 1 5 2388 1 1 34 VAL HG12 H -8.956 -8.496 5.601 1.00 . A A . 34 VAL HG12 1 1 5 2389 1 1 34 VAL HG13 H -10.608 -9.055 5.341 1.00 . A A . 34 VAL HG13 1 1 5 2390 1 1 34 VAL HG21 H -9.313 -5.458 3.592 1.00 . A A . 34 VAL HG21 1 1 5 2391 1 1 34 VAL HG22 H -8.075 -6.711 3.507 1.00 . A A . 34 VAL HG22 1 1 5 2392 1 1 34 VAL HG23 H -8.634 -6.129 5.074 1.00 . A A . 34 VAL HG23 1 1 5 2393 1 1 34 VAL N N -9.642 -7.541 1.707 1.00 . A A . 34 VAL N 1 1 5 2394 1 1 34 VAL O O -11.988 -9.196 3.414 1.00 . A A . 34 VAL O 1 1 5 2395 1 1 35 GLU C C -12.330 -11.985 2.972 1.00 . A A . 35 GLU C 1 1 5 2396 1 1 35 GLU CA C -12.011 -11.246 1.670 1.00 . A A . 35 GLU CA 1 1 5 2397 1 1 35 GLU CB C -11.519 -12.226 0.605 1.00 . A A . 35 GLU CB 1 1 5 2398 1 1 35 GLU CD C -9.789 -13.945 0.066 1.00 . A A . 35 GLU CD 1 1 5 2399 1 1 35 GLU CG C -10.359 -13.048 1.167 1.00 . A A . 35 GLU CG 1 1 5 2400 1 1 35 GLU H H -10.054 -10.400 1.352 1.00 . A A . 35 GLU H 1 1 5 2401 1 1 35 GLU HA H -12.881 -10.718 1.311 1.00 . A A . 35 GLU HA 1 1 5 2402 1 1 35 GLU HB2 H -12.328 -12.886 0.322 1.00 . A A . 35 GLU HB2 1 1 5 2403 1 1 35 GLU HB3 H -11.183 -11.677 -0.262 1.00 . A A . 35 GLU HB3 1 1 5 2404 1 1 35 GLU HG2 H -9.587 -12.383 1.526 1.00 . A A . 35 GLU HG2 1 1 5 2405 1 1 35 GLU HG3 H -10.714 -13.662 1.981 1.00 . A A . 35 GLU HG3 1 1 5 2406 1 1 35 GLU N N -10.876 -10.301 1.877 1.00 . A A . 35 GLU N 1 1 5 2407 1 1 35 GLU O O -11.421 -12.170 3.764 1.00 . A A . 35 GLU O 1 1 5 2408 1 1 35 GLU OXT O -13.479 -12.356 3.153 1.00 . A A . 35 GLU OXT 1 1 5 2409 1 1 35 GLU OE1 O -9.828 -13.536 -1.082 1.00 . A A . 35 GLU OE1 1 1 5 2410 1 1 35 GLU OE2 O -9.324 -15.025 0.391 1.00 . A A . 35 GLU OE2 1 1 6 2411 1 1 1 ASP C C -9.331 6.272 1.727 1.00 . A A . 1 ASP C 1 1 6 2412 1 1 1 ASP CA C -10.365 6.748 0.700 1.00 . A A . 1 ASP CA 1 1 6 2413 1 1 1 ASP CB C -9.814 7.923 -0.108 1.00 . A A . 1 ASP CB 1 1 6 2414 1 1 1 ASP CG C -10.753 8.225 -1.277 1.00 . A A . 1 ASP CG 1 1 6 2415 1 1 1 ASP H1 H -11.349 8.220 1.800 1.00 . A A . 1 ASP H1 1 1 6 2416 1 1 1 ASP H2 H -11.852 6.636 2.156 1.00 . A A . 1 ASP H2 1 1 6 2417 1 1 1 ASP H3 H -12.348 7.384 0.712 1.00 . A A . 1 ASP H3 1 1 6 2418 1 1 1 ASP HA H -10.640 5.942 0.040 1.00 . A A . 1 ASP HA 1 1 6 2419 1 1 1 ASP HB2 H -9.738 8.793 0.528 1.00 . A A . 1 ASP HB2 1 1 6 2420 1 1 1 ASP HB3 H -8.836 7.670 -0.491 1.00 . A A . 1 ASP HB3 1 1 6 2421 1 1 1 ASP N N -11.570 7.288 1.394 1.00 . A A . 1 ASP N 1 1 6 2422 1 1 1 ASP O O -9.069 6.934 2.710 1.00 . A A . 1 ASP O 1 1 6 2423 1 1 1 ASP OD1 O -11.796 7.597 -1.351 1.00 . A A . 1 ASP OD1 1 1 6 2424 1 1 1 ASP OD2 O -10.414 9.080 -2.079 1.00 . A A . 1 ASP OD2 1 1 6 2425 1 1 2 HIS C C -6.326 4.709 1.856 1.00 . A A . 2 HIS C 1 1 6 2426 1 1 2 HIS CA C -7.729 4.609 2.466 1.00 . A A . 2 HIS CA 1 1 6 2427 1 1 2 HIS CB C -8.114 3.146 2.693 1.00 . A A . 2 HIS CB 1 1 6 2428 1 1 2 HIS CD2 C -10.673 2.530 2.696 1.00 . A A . 2 HIS CD2 1 1 6 2429 1 1 2 HIS CE1 C -11.191 3.368 4.626 1.00 . A A . 2 HIS CE1 1 1 6 2430 1 1 2 HIS CG C -9.522 3.069 3.219 1.00 . A A . 2 HIS CG 1 1 6 2431 1 1 2 HIS H H -8.972 4.608 0.706 1.00 . A A . 2 HIS H 1 1 6 2432 1 1 2 HIS HA H -7.778 5.153 3.396 1.00 . A A . 2 HIS HA 1 1 6 2433 1 1 2 HIS HB2 H -8.046 2.607 1.760 1.00 . A A . 2 HIS HB2 1 1 6 2434 1 1 2 HIS HB3 H -7.439 2.705 3.411 1.00 . A A . 2 HIS HB3 1 1 6 2435 1 1 2 HIS HD1 H -9.280 4.057 5.077 1.00 . A A . 2 HIS HD1 1 1 6 2436 1 1 2 HIS HD2 H -10.751 2.028 1.740 1.00 . A A . 2 HIS HD2 1 1 6 2437 1 1 2 HIS HE1 H -11.746 3.670 5.503 1.00 . A A . 2 HIS HE1 1 1 6 2438 1 1 2 HIS N N -8.745 5.128 1.504 1.00 . A A . 2 HIS N 1 1 6 2439 1 1 2 HIS ND1 N -9.877 3.599 4.449 1.00 . A A . 2 HIS ND1 1 1 6 2440 1 1 2 HIS NE2 N -11.725 2.721 3.587 1.00 . A A . 2 HIS NE2 1 1 6 2441 1 1 2 HIS O O -5.791 3.744 1.349 1.00 . A A . 2 HIS O 1 1 6 2442 1 1 3 VAL C C -3.323 5.302 2.170 1.00 . A A . 3 VAL C 1 1 6 2443 1 1 3 VAL CA C -4.361 6.027 1.313 1.00 . A A . 3 VAL CA 1 1 6 2444 1 1 3 VAL CB C -4.094 7.533 1.317 1.00 . A A . 3 VAL CB 1 1 6 2445 1 1 3 VAL CG1 C -5.304 8.276 0.748 1.00 . A A . 3 VAL CG1 1 1 6 2446 1 1 3 VAL CG2 C -3.838 8.000 2.750 1.00 . A A . 3 VAL CG2 1 1 6 2447 1 1 3 VAL H H -6.176 6.638 2.307 1.00 . A A . 3 VAL H 1 1 6 2448 1 1 3 VAL HA H -4.338 5.655 0.302 1.00 . A A . 3 VAL HA 1 1 6 2449 1 1 3 VAL HB H -3.226 7.744 0.709 1.00 . A A . 3 VAL HB 1 1 6 2450 1 1 3 VAL HG11 H -5.636 9.020 1.456 1.00 . A A . 3 VAL HG11 1 1 6 2451 1 1 3 VAL HG12 H -6.103 7.573 0.562 1.00 . A A . 3 VAL HG12 1 1 6 2452 1 1 3 VAL HG13 H -5.027 8.759 -0.177 1.00 . A A . 3 VAL HG13 1 1 6 2453 1 1 3 VAL HG21 H -2.971 7.493 3.145 1.00 . A A . 3 VAL HG21 1 1 6 2454 1 1 3 VAL HG22 H -4.698 7.773 3.361 1.00 . A A . 3 VAL HG22 1 1 6 2455 1 1 3 VAL HG23 H -3.665 9.066 2.756 1.00 . A A . 3 VAL HG23 1 1 6 2456 1 1 3 VAL N N -5.727 5.870 1.897 1.00 . A A . 3 VAL N 1 1 6 2457 1 1 3 VAL O O -3.470 5.170 3.369 1.00 . A A . 3 VAL O 1 1 6 2458 1 1 4 CYS C C 0.003 5.025 2.529 1.00 . A A . 4 CYS C 1 1 6 2459 1 1 4 CYS CA C -1.212 4.117 2.330 1.00 . A A . 4 CYS CA 1 1 6 2460 1 1 4 CYS CB C -0.838 2.914 1.467 1.00 . A A . 4 CYS CB 1 1 6 2461 1 1 4 CYS H H -2.172 4.952 0.591 1.00 . A A . 4 CYS H 1 1 6 2462 1 1 4 CYS HA H -1.597 3.783 3.282 1.00 . A A . 4 CYS HA 1 1 6 2463 1 1 4 CYS HB2 H -0.473 3.258 0.510 1.00 . A A . 4 CYS HB2 1 1 6 2464 1 1 4 CYS HB3 H -0.066 2.342 1.962 1.00 . A A . 4 CYS HB3 1 1 6 2465 1 1 4 CYS N N -2.269 4.831 1.559 1.00 . A A . 4 CYS N 1 1 6 2466 1 1 4 CYS O O 0.278 5.484 3.621 1.00 . A A . 4 CYS O 1 1 6 2467 1 1 4 CYS SG S -2.292 1.871 1.216 1.00 . A A . 4 CYS SG 1 1 6 2468 1 1 5 ASP C C 1.810 7.358 0.648 1.00 . A A . 5 ASP C 1 1 6 2469 1 1 5 ASP CA C 1.933 6.164 1.600 1.00 . A A . 5 ASP CA 1 1 6 2470 1 1 5 ASP CB C 3.111 5.274 1.201 1.00 . A A . 5 ASP CB 1 1 6 2471 1 1 5 ASP CG C 4.424 6.026 1.436 1.00 . A A . 5 ASP CG 1 1 6 2472 1 1 5 ASP H H 0.493 4.903 0.609 1.00 . A A . 5 ASP H 1 1 6 2473 1 1 5 ASP HA H 2.053 6.501 2.618 1.00 . A A . 5 ASP HA 1 1 6 2474 1 1 5 ASP HB2 H 3.099 4.375 1.799 1.00 . A A . 5 ASP HB2 1 1 6 2475 1 1 5 ASP HB3 H 3.029 5.013 0.159 1.00 . A A . 5 ASP HB3 1 1 6 2476 1 1 5 ASP N N 0.733 5.286 1.479 1.00 . A A . 5 ASP N 1 1 6 2477 1 1 5 ASP O O 2.761 7.750 0.002 1.00 . A A . 5 ASP O 1 1 6 2478 1 1 5 ASP OD1 O 4.697 6.358 2.578 1.00 . A A . 5 ASP OD1 1 1 6 2479 1 1 5 ASP OD2 O 5.132 6.257 0.470 1.00 . A A . 5 ASP OD2 1 1 6 2480 1 1 6 ASP C C 0.388 8.677 -1.811 1.00 . A A . 6 ASP C 1 1 6 2481 1 1 6 ASP CA C 0.431 9.113 -0.340 1.00 . A A . 6 ASP CA 1 1 6 2482 1 1 6 ASP CB C 1.623 10.042 -0.094 1.00 . A A . 6 ASP CB 1 1 6 2483 1 1 6 ASP CG C 1.217 11.484 -0.409 1.00 . A A . 6 ASP CG 1 1 6 2484 1 1 6 ASP H H -0.108 7.599 1.098 1.00 . A A . 6 ASP H 1 1 6 2485 1 1 6 ASP HA H -0.484 9.622 -0.079 1.00 . A A . 6 ASP HA 1 1 6 2486 1 1 6 ASP HB2 H 1.928 9.969 0.940 1.00 . A A . 6 ASP HB2 1 1 6 2487 1 1 6 ASP HB3 H 2.443 9.753 -0.734 1.00 . A A . 6 ASP HB3 1 1 6 2488 1 1 6 ASP N N 0.640 7.938 0.563 1.00 . A A . 6 ASP N 1 1 6 2489 1 1 6 ASP O O 0.148 9.477 -2.693 1.00 . A A . 6 ASP O 1 1 6 2490 1 1 6 ASP OD1 O 0.412 11.668 -1.308 1.00 . A A . 6 ASP OD1 1 1 6 2491 1 1 6 ASP OD2 O 1.714 12.378 0.255 1.00 . A A . 6 ASP OD2 1 1 6 2492 1 1 7 ASN C C -0.441 5.816 -3.654 1.00 . A A . 7 ASN C 1 1 6 2493 1 1 7 ASN CA C 0.570 6.956 -3.503 1.00 . A A . 7 ASN CA 1 1 6 2494 1 1 7 ASN CB C 1.993 6.476 -3.811 1.00 . A A . 7 ASN CB 1 1 6 2495 1 1 7 ASN CG C 2.220 5.091 -3.203 1.00 . A A . 7 ASN CG 1 1 6 2496 1 1 7 ASN H H 0.798 6.783 -1.365 1.00 . A A . 7 ASN H 1 1 6 2497 1 1 7 ASN HA H 0.310 7.775 -4.156 1.00 . A A . 7 ASN HA 1 1 6 2498 1 1 7 ASN HB2 H 2.130 6.427 -4.881 1.00 . A A . 7 ASN HB2 1 1 6 2499 1 1 7 ASN HB3 H 2.705 7.172 -3.390 1.00 . A A . 7 ASN HB3 1 1 6 2500 1 1 7 ASN HD21 H 2.986 5.804 -1.518 1.00 . A A . 7 ASN HD21 1 1 6 2501 1 1 7 ASN HD22 H 2.893 4.111 -1.615 1.00 . A A . 7 ASN HD22 1 1 6 2502 1 1 7 ASN N N 0.611 7.421 -2.085 1.00 . A A . 7 ASN N 1 1 6 2503 1 1 7 ASN ND2 N 2.743 4.994 -2.014 1.00 . A A . 7 ASN ND2 1 1 6 2504 1 1 7 ASN O O -0.454 5.109 -4.644 1.00 . A A . 7 ASN O 1 1 6 2505 1 1 7 ASN OD1 O 1.918 4.088 -3.819 1.00 . A A . 7 ASN OD1 1 1 6 2506 1 1 8 PHE C C -3.643 5.042 -2.202 1.00 . A A . 8 PHE C 1 1 6 2507 1 1 8 PHE CA C -2.307 4.550 -2.765 1.00 . A A . 8 PHE CA 1 1 6 2508 1 1 8 PHE CB C -1.744 3.417 -1.907 1.00 . A A . 8 PHE CB 1 1 6 2509 1 1 8 PHE CD1 C -2.086 1.585 -3.604 1.00 . A A . 8 PHE CD1 1 1 6 2510 1 1 8 PHE CD2 C 0.163 2.054 -2.828 1.00 . A A . 8 PHE CD2 1 1 6 2511 1 1 8 PHE CE1 C -1.589 0.572 -4.433 1.00 . A A . 8 PHE CE1 1 1 6 2512 1 1 8 PHE CE2 C 0.661 1.042 -3.657 1.00 . A A . 8 PHE CE2 1 1 6 2513 1 1 8 PHE CG C -1.209 2.325 -2.801 1.00 . A A . 8 PHE CG 1 1 6 2514 1 1 8 PHE CZ C -0.216 0.301 -4.460 1.00 . A A . 8 PHE CZ 1 1 6 2515 1 1 8 PHE H H -1.263 6.222 -1.895 1.00 . A A . 8 PHE H 1 1 6 2516 1 1 8 PHE HA H -2.424 4.219 -3.784 1.00 . A A . 8 PHE HA 1 1 6 2517 1 1 8 PHE HB2 H -0.946 3.797 -1.287 1.00 . A A . 8 PHE HB2 1 1 6 2518 1 1 8 PHE HB3 H -2.527 3.016 -1.279 1.00 . A A . 8 PHE HB3 1 1 6 2519 1 1 8 PHE HD1 H -3.145 1.794 -3.582 1.00 . A A . 8 PHE HD1 1 1 6 2520 1 1 8 PHE HD2 H 0.840 2.625 -2.209 1.00 . A A . 8 PHE HD2 1 1 6 2521 1 1 8 PHE HE1 H -2.265 0.001 -5.053 1.00 . A A . 8 PHE HE1 1 1 6 2522 1 1 8 PHE HE2 H 1.719 0.832 -3.679 1.00 . A A . 8 PHE HE2 1 1 6 2523 1 1 8 PHE HZ H 0.168 -0.480 -5.099 1.00 . A A . 8 PHE HZ 1 1 6 2524 1 1 8 PHE N N -1.291 5.637 -2.682 1.00 . A A . 8 PHE N 1 1 6 2525 1 1 8 PHE O O -3.782 6.192 -1.833 1.00 . A A . 8 PHE O 1 1 6 2526 1 1 9 SER C C -6.823 3.421 -1.251 1.00 . A A . 9 SER C 1 1 6 2527 1 1 9 SER CA C -5.948 4.627 -1.594 1.00 . A A . 9 SER CA 1 1 6 2528 1 1 9 SER CB C -6.583 5.440 -2.719 1.00 . A A . 9 SER CB 1 1 6 2529 1 1 9 SER H H -4.502 3.265 -2.436 1.00 . A A . 9 SER H 1 1 6 2530 1 1 9 SER HA H -5.812 5.250 -0.726 1.00 . A A . 9 SER HA 1 1 6 2531 1 1 9 SER HB2 H -6.211 6.451 -2.687 1.00 . A A . 9 SER HB2 1 1 6 2532 1 1 9 SER HB3 H -6.328 4.995 -3.671 1.00 . A A . 9 SER HB3 1 1 6 2533 1 1 9 SER HG H -8.221 6.217 -2.013 1.00 . A A . 9 SER HG 1 1 6 2534 1 1 9 SER N N -4.628 4.188 -2.134 1.00 . A A . 9 SER N 1 1 6 2535 1 1 9 SER O O -7.476 3.393 -0.227 1.00 . A A . 9 SER O 1 1 6 2536 1 1 9 SER OG O -7.994 5.454 -2.549 1.00 . A A . 9 SER OG 1 1 6 2537 1 1 10 CYS C C -9.063 1.709 -1.299 1.00 . A A . 10 CYS C 1 1 6 2538 1 1 10 CYS CA C -7.702 1.237 -1.817 1.00 . A A . 10 CYS CA 1 1 6 2539 1 1 10 CYS CB C -6.967 0.431 -0.734 1.00 . A A . 10 CYS CB 1 1 6 2540 1 1 10 CYS H H -6.324 2.474 -2.926 1.00 . A A . 10 CYS H 1 1 6 2541 1 1 10 CYS HA H -7.822 0.640 -2.708 1.00 . A A . 10 CYS HA 1 1 6 2542 1 1 10 CYS HB2 H -7.227 0.824 0.238 1.00 . A A . 10 CYS HB2 1 1 6 2543 1 1 10 CYS HB3 H -7.274 -0.603 -0.793 1.00 . A A . 10 CYS HB3 1 1 6 2544 1 1 10 CYS N N -6.851 2.430 -2.100 1.00 . A A . 10 CYS N 1 1 6 2545 1 1 10 CYS O O -9.265 1.839 -0.108 1.00 . A A . 10 CYS O 1 1 6 2546 1 1 10 CYS SG S -5.167 0.538 -0.959 1.00 . A A . 10 CYS SG 1 1 6 2547 1 1 11 PRO C C -12.115 1.385 -1.152 1.00 . A A . 11 PRO C 1 1 6 2548 1 1 11 PRO CA C -11.302 2.466 -1.867 1.00 . A A . 11 PRO CA 1 1 6 2549 1 1 11 PRO CB C -11.916 2.819 -3.220 1.00 . A A . 11 PRO CB 1 1 6 2550 1 1 11 PRO CD C -9.772 1.832 -3.670 1.00 . A A . 11 PRO CD 1 1 6 2551 1 1 11 PRO CG C -11.170 1.980 -4.207 1.00 . A A . 11 PRO CG 1 1 6 2552 1 1 11 PRO HA H -11.232 3.352 -1.256 1.00 . A A . 11 PRO HA 1 1 6 2553 1 1 11 PRO HB2 H -12.969 2.571 -3.230 1.00 . A A . 11 PRO HB2 1 1 6 2554 1 1 11 PRO HB3 H -11.771 3.865 -3.438 1.00 . A A . 11 PRO HB3 1 1 6 2555 1 1 11 PRO HD2 H -9.373 0.856 -3.916 1.00 . A A . 11 PRO HD2 1 1 6 2556 1 1 11 PRO HD3 H -9.134 2.615 -4.047 1.00 . A A . 11 PRO HD3 1 1 6 2557 1 1 11 PRO HG2 H -11.641 1.010 -4.298 1.00 . A A . 11 PRO HG2 1 1 6 2558 1 1 11 PRO HG3 H -11.143 2.473 -5.166 1.00 . A A . 11 PRO HG3 1 1 6 2559 1 1 11 PRO N N -9.946 1.973 -2.222 1.00 . A A . 11 PRO N 1 1 6 2560 1 1 11 PRO O O -12.681 1.618 -0.102 1.00 . A A . 11 PRO O 1 1 6 2561 1 1 12 ALA C C -12.471 -1.061 0.399 1.00 . A A . 12 ALA C 1 1 6 2562 1 1 12 ALA CA C -12.964 -0.873 -1.035 1.00 . A A . 12 ALA CA 1 1 6 2563 1 1 12 ALA CB C -12.700 -2.129 -1.866 1.00 . A A . 12 ALA CB 1 1 6 2564 1 1 12 ALA H H -11.720 0.029 -2.548 1.00 . A A . 12 ALA H 1 1 6 2565 1 1 12 ALA HA H -14.014 -0.636 -1.044 1.00 . A A . 12 ALA HA 1 1 6 2566 1 1 12 ALA HB1 H -13.576 -2.362 -2.453 1.00 . A A . 12 ALA HB1 1 1 6 2567 1 1 12 ALA HB2 H -12.477 -2.955 -1.208 1.00 . A A . 12 ALA HB2 1 1 6 2568 1 1 12 ALA HB3 H -11.862 -1.955 -2.524 1.00 . A A . 12 ALA HB3 1 1 6 2569 1 1 12 ALA N N -12.182 0.206 -1.702 1.00 . A A . 12 ALA N 1 1 6 2570 1 1 12 ALA O O -13.204 -1.491 1.269 1.00 . A A . 12 ALA O 1 1 6 2571 1 1 13 GLY C C -9.401 -1.727 1.956 1.00 . A A . 13 GLY C 1 1 6 2572 1 1 13 GLY CA C -10.685 -0.904 2.024 1.00 . A A . 13 GLY CA 1 1 6 2573 1 1 13 GLY H H -10.661 -0.404 -0.067 1.00 . A A . 13 GLY H 1 1 6 2574 1 1 13 GLY HA2 H -10.471 0.070 2.442 1.00 . A A . 13 GLY HA2 1 1 6 2575 1 1 13 GLY HA3 H -11.404 -1.416 2.644 1.00 . A A . 13 GLY HA3 1 1 6 2576 1 1 13 GLY N N -11.233 -0.745 0.651 1.00 . A A . 13 GLY N 1 1 6 2577 1 1 13 GLY O O -8.358 -1.304 2.411 1.00 . A A . 13 GLY O 1 1 6 2578 1 1 14 SER C C -7.398 -3.647 2.523 1.00 . A A . 14 SER C 1 1 6 2579 1 1 14 SER CA C -8.265 -3.766 1.267 1.00 . A A . 14 SER CA 1 1 6 2580 1 1 14 SER CB C -7.511 -3.240 0.047 1.00 . A A . 14 SER CB 1 1 6 2581 1 1 14 SER H H -10.331 -3.206 1.016 1.00 . A A . 14 SER H 1 1 6 2582 1 1 14 SER HA H -8.552 -4.793 1.105 1.00 . A A . 14 SER HA 1 1 6 2583 1 1 14 SER HB2 H -6.876 -2.420 0.339 1.00 . A A . 14 SER HB2 1 1 6 2584 1 1 14 SER HB3 H -6.902 -4.033 -0.367 1.00 . A A . 14 SER HB3 1 1 6 2585 1 1 14 SER HG H -8.281 -3.265 -1.739 1.00 . A A . 14 SER HG 1 1 6 2586 1 1 14 SER N N -9.474 -2.899 1.380 1.00 . A A . 14 SER N 1 1 6 2587 1 1 14 SER O O -7.894 -3.486 3.620 1.00 . A A . 14 SER O 1 1 6 2588 1 1 14 SER OG O -8.445 -2.786 -0.924 1.00 . A A . 14 SER OG 1 1 6 2589 1 1 15 THR C C -3.747 -3.535 3.067 1.00 . A A . 15 THR C 1 1 6 2590 1 1 15 THR CA C -5.199 -3.606 3.541 1.00 . A A . 15 THR CA 1 1 6 2591 1 1 15 THR CB C -5.440 -4.882 4.356 1.00 . A A . 15 THR CB 1 1 6 2592 1 1 15 THR CG2 C -4.260 -5.126 5.299 1.00 . A A . 15 THR CG2 1 1 6 2593 1 1 15 THR H H -5.730 -3.844 1.469 1.00 . A A . 15 THR H 1 1 6 2594 1 1 15 THR HA H -5.449 -2.738 4.130 1.00 . A A . 15 THR HA 1 1 6 2595 1 1 15 THR HB H -5.540 -5.722 3.686 1.00 . A A . 15 THR HB 1 1 6 2596 1 1 15 THR HG1 H -7.004 -5.611 5.252 1.00 . A A . 15 THR HG1 1 1 6 2597 1 1 15 THR HG21 H -3.763 -4.190 5.504 1.00 . A A . 15 THR HG21 1 1 6 2598 1 1 15 THR HG22 H -3.565 -5.810 4.835 1.00 . A A . 15 THR HG22 1 1 6 2599 1 1 15 THR HG23 H -4.621 -5.552 6.224 1.00 . A A . 15 THR HG23 1 1 6 2600 1 1 15 THR N N -6.106 -3.718 2.365 1.00 . A A . 15 THR N 1 1 6 2601 1 1 15 THR O O -3.071 -4.539 2.958 1.00 . A A . 15 THR O 1 1 6 2602 1 1 15 THR OG1 O -6.631 -4.737 5.116 1.00 . A A . 15 THR OG1 1 1 6 2603 1 1 16 CYS C C -0.944 -3.114 3.173 1.00 . A A . 16 CYS C 1 1 6 2604 1 1 16 CYS CA C -1.855 -2.236 2.314 1.00 . A A . 16 CYS CA 1 1 6 2605 1 1 16 CYS CB C -1.510 -0.759 2.484 1.00 . A A . 16 CYS CB 1 1 6 2606 1 1 16 CYS H H -3.823 -1.561 2.873 1.00 . A A . 16 CYS H 1 1 6 2607 1 1 16 CYS HA H -1.778 -2.516 1.275 1.00 . A A . 16 CYS HA 1 1 6 2608 1 1 16 CYS HB2 H -2.242 -0.288 3.123 1.00 . A A . 16 CYS HB2 1 1 6 2609 1 1 16 CYS HB3 H -0.530 -0.667 2.929 1.00 . A A . 16 CYS HB3 1 1 6 2610 1 1 16 CYS N N -3.263 -2.360 2.781 1.00 . A A . 16 CYS N 1 1 6 2611 1 1 16 CYS O O -1.343 -3.607 4.210 1.00 . A A . 16 CYS O 1 1 6 2612 1 1 16 CYS SG S -1.517 0.041 0.861 1.00 . A A . 16 CYS SG 1 1 6 2613 1 1 17 SER C C 2.647 -3.880 3.193 1.00 . A A . 17 SER C 1 1 6 2614 1 1 17 SER CA C 1.190 -4.188 3.541 1.00 . A A . 17 SER CA 1 1 6 2615 1 1 17 SER CB C 0.835 -5.610 3.121 1.00 . A A . 17 SER CB 1 1 6 2616 1 1 17 SER H H 0.572 -2.928 1.904 1.00 . A A . 17 SER H 1 1 6 2617 1 1 17 SER HA H 1.015 -4.060 4.597 1.00 . A A . 17 SER HA 1 1 6 2618 1 1 17 SER HB2 H 0.570 -5.617 2.077 1.00 . A A . 17 SER HB2 1 1 6 2619 1 1 17 SER HB3 H 1.689 -6.255 3.277 1.00 . A A . 17 SER HB3 1 1 6 2620 1 1 17 SER HG H -0.658 -6.818 3.432 1.00 . A A . 17 SER HG 1 1 6 2621 1 1 17 SER N N 0.269 -3.325 2.748 1.00 . A A . 17 SER N 1 1 6 2622 1 1 17 SER O O 3.530 -4.686 3.414 1.00 . A A . 17 SER O 1 1 6 2623 1 1 17 SER OG O -0.271 -6.067 3.888 1.00 . A A . 17 SER OG 1 1 6 2624 1 1 18 SER C C 4.963 -3.537 1.532 1.00 . A A . 18 SER C 1 1 6 2625 1 1 18 SER CA C 4.310 -2.380 2.289 1.00 . A A . 18 SER CA 1 1 6 2626 1 1 18 SER CB C 5.015 -2.144 3.624 1.00 . A A . 18 SER CB 1 1 6 2627 1 1 18 SER H H 2.184 -2.089 2.476 1.00 . A A . 18 SER H 1 1 6 2628 1 1 18 SER HA H 4.335 -1.483 1.696 1.00 . A A . 18 SER HA 1 1 6 2629 1 1 18 SER HB2 H 4.283 -2.074 4.411 1.00 . A A . 18 SER HB2 1 1 6 2630 1 1 18 SER HB3 H 5.683 -2.971 3.828 1.00 . A A . 18 SER HB3 1 1 6 2631 1 1 18 SER HG H 5.126 -0.203 3.614 1.00 . A A . 18 SER HG 1 1 6 2632 1 1 18 SER N N 2.908 -2.726 2.649 1.00 . A A . 18 SER N 1 1 6 2633 1 1 18 SER O O 5.597 -4.395 2.115 1.00 . A A . 18 SER O 1 1 6 2634 1 1 18 SER OG O 5.750 -0.930 3.560 1.00 . A A . 18 SER OG 1 1 6 2635 1 1 19 ALA C C 6.703 -4.178 -1.245 1.00 . A A . 19 ALA C 1 1 6 2636 1 1 19 ALA CA C 5.433 -4.674 -0.554 1.00 . A A . 19 ALA CA 1 1 6 2637 1 1 19 ALA CB C 4.375 -5.061 -1.589 1.00 . A A . 19 ALA CB 1 1 6 2638 1 1 19 ALA H H 4.303 -2.868 -0.220 1.00 . A A . 19 ALA H 1 1 6 2639 1 1 19 ALA HA H 5.652 -5.515 0.082 1.00 . A A . 19 ALA HA 1 1 6 2640 1 1 19 ALA HB1 H 4.472 -6.111 -1.826 1.00 . A A . 19 ALA HB1 1 1 6 2641 1 1 19 ALA HB2 H 4.518 -4.476 -2.485 1.00 . A A . 19 ALA HB2 1 1 6 2642 1 1 19 ALA HB3 H 3.391 -4.872 -1.187 1.00 . A A . 19 ALA HB3 1 1 6 2643 1 1 19 ALA N N 4.816 -3.569 0.235 1.00 . A A . 19 ALA N 1 1 6 2644 1 1 19 ALA O O 7.340 -3.244 -0.799 1.00 . A A . 19 ALA O 1 1 6 2645 1 1 20 PHE C C 9.548 -4.636 -2.204 1.00 . A A . 20 PHE C 1 1 6 2646 1 1 20 PHE CA C 8.307 -4.355 -3.053 1.00 . A A . 20 PHE CA 1 1 6 2647 1 1 20 PHE CB C 8.131 -2.851 -3.257 1.00 . A A . 20 PHE CB 1 1 6 2648 1 1 20 PHE CD1 C 7.429 -2.832 -5.679 1.00 . A A . 20 PHE CD1 1 1 6 2649 1 1 20 PHE CD2 C 9.570 -1.868 -5.075 1.00 . A A . 20 PHE CD2 1 1 6 2650 1 1 20 PHE CE1 C 7.665 -2.515 -7.022 1.00 . A A . 20 PHE CE1 1 1 6 2651 1 1 20 PHE CE2 C 9.806 -1.551 -6.418 1.00 . A A . 20 PHE CE2 1 1 6 2652 1 1 20 PHE CG C 8.383 -2.508 -4.705 1.00 . A A . 20 PHE CG 1 1 6 2653 1 1 20 PHE CZ C 8.852 -1.873 -7.391 1.00 . A A . 20 PHE CZ 1 1 6 2654 1 1 20 PHE H H 6.549 -5.544 -2.677 1.00 . A A . 20 PHE H 1 1 6 2655 1 1 20 PHE HA H 8.383 -4.850 -4.008 1.00 . A A . 20 PHE HA 1 1 6 2656 1 1 20 PHE HB2 H 7.125 -2.568 -2.986 1.00 . A A . 20 PHE HB2 1 1 6 2657 1 1 20 PHE HB3 H 8.835 -2.319 -2.634 1.00 . A A . 20 PHE HB3 1 1 6 2658 1 1 20 PHE HD1 H 6.512 -3.326 -5.394 1.00 . A A . 20 PHE HD1 1 1 6 2659 1 1 20 PHE HD2 H 10.307 -1.619 -4.324 1.00 . A A . 20 PHE HD2 1 1 6 2660 1 1 20 PHE HE1 H 6.929 -2.763 -7.773 1.00 . A A . 20 PHE HE1 1 1 6 2661 1 1 20 PHE HE2 H 10.722 -1.056 -6.703 1.00 . A A . 20 PHE HE2 1 1 6 2662 1 1 20 PHE HZ H 9.034 -1.628 -8.427 1.00 . A A . 20 PHE HZ 1 1 6 2663 1 1 20 PHE N N 7.078 -4.794 -2.332 1.00 . A A . 20 PHE N 1 1 6 2664 1 1 20 PHE O O 9.648 -4.205 -1.072 1.00 . A A . 20 PHE O 1 1 6 2665 1 1 21 GLY C C 12.810 -6.209 -2.892 1.00 . A A . 21 GLY C 1 1 6 2666 1 1 21 GLY CA C 11.729 -5.655 -1.961 1.00 . A A . 21 GLY CA 1 1 6 2667 1 1 21 GLY H H 10.398 -5.690 -3.655 1.00 . A A . 21 GLY H 1 1 6 2668 1 1 21 GLY HA2 H 12.087 -4.748 -1.494 1.00 . A A . 21 GLY HA2 1 1 6 2669 1 1 21 GLY HA3 H 11.505 -6.387 -1.201 1.00 . A A . 21 GLY HA3 1 1 6 2670 1 1 21 GLY N N 10.497 -5.353 -2.741 1.00 . A A . 21 GLY N 1 1 6 2671 1 1 21 GLY O O 13.704 -6.912 -2.468 1.00 . A A . 21 GLY O 1 1 6 2672 1 1 22 PHE C C 14.946 -5.421 -5.165 1.00 . A A . 22 PHE C 1 1 6 2673 1 1 22 PHE CA C 13.766 -6.395 -5.111 1.00 . A A . 22 PHE CA 1 1 6 2674 1 1 22 PHE CB C 13.052 -6.448 -6.461 1.00 . A A . 22 PHE CB 1 1 6 2675 1 1 22 PHE CD1 C 14.313 -8.342 -7.543 1.00 . A A . 22 PHE CD1 1 1 6 2676 1 1 22 PHE CD2 C 14.551 -6.109 -8.457 1.00 . A A . 22 PHE CD2 1 1 6 2677 1 1 22 PHE CE1 C 15.187 -8.834 -8.519 1.00 . A A . 22 PHE CE1 1 1 6 2678 1 1 22 PHE CE2 C 15.426 -6.601 -9.433 1.00 . A A . 22 PHE CE2 1 1 6 2679 1 1 22 PHE CG C 13.995 -6.980 -7.512 1.00 . A A . 22 PHE CG 1 1 6 2680 1 1 22 PHE CZ C 15.743 -7.964 -9.464 1.00 . A A . 22 PHE CZ 1 1 6 2681 1 1 22 PHE H H 12.012 -5.318 -4.476 1.00 . A A . 22 PHE H 1 1 6 2682 1 1 22 PHE HA H 14.099 -7.380 -4.827 1.00 . A A . 22 PHE HA 1 1 6 2683 1 1 22 PHE HB2 H 12.192 -7.097 -6.388 1.00 . A A . 22 PHE HB2 1 1 6 2684 1 1 22 PHE HB3 H 12.731 -5.455 -6.737 1.00 . A A . 22 PHE HB3 1 1 6 2685 1 1 22 PHE HD1 H 13.884 -9.013 -6.814 1.00 . A A . 22 PHE HD1 1 1 6 2686 1 1 22 PHE HD2 H 14.307 -5.057 -8.432 1.00 . A A . 22 PHE HD2 1 1 6 2687 1 1 22 PHE HE1 H 15.432 -9.886 -8.543 1.00 . A A . 22 PHE HE1 1 1 6 2688 1 1 22 PHE HE2 H 15.856 -5.930 -10.161 1.00 . A A . 22 PHE HE2 1 1 6 2689 1 1 22 PHE HZ H 16.417 -8.344 -10.218 1.00 . A A . 22 PHE HZ 1 1 6 2690 1 1 22 PHE N N 12.739 -5.891 -4.155 1.00 . A A . 22 PHE N 1 1 6 2691 1 1 22 PHE O O 16.061 -5.756 -4.820 1.00 . A A . 22 PHE O 1 1 6 2692 1 1 23 ARG C C 15.483 -2.044 -4.720 1.00 . A A . 23 ARG C 1 1 6 2693 1 1 23 ARG CA C 15.797 -3.208 -5.663 1.00 . A A . 23 ARG CA 1 1 6 2694 1 1 23 ARG CB C 15.806 -2.739 -7.119 1.00 . A A . 23 ARG CB 1 1 6 2695 1 1 23 ARG CD C 17.242 -2.463 -9.147 1.00 . A A . 23 ARG CD 1 1 6 2696 1 1 23 ARG CG C 17.247 -2.685 -7.632 1.00 . A A . 23 ARG CG 1 1 6 2697 1 1 23 ARG CZ C 19.469 -1.925 -9.934 1.00 . A A . 23 ARG CZ 1 1 6 2698 1 1 23 ARG H H 13.792 -3.965 -5.858 1.00 . A A . 23 ARG H 1 1 6 2699 1 1 23 ARG HA H 16.743 -3.659 -5.411 1.00 . A A . 23 ARG HA 1 1 6 2700 1 1 23 ARG HB2 H 15.234 -3.428 -7.722 1.00 . A A . 23 ARG HB2 1 1 6 2701 1 1 23 ARG HB3 H 15.368 -1.756 -7.181 1.00 . A A . 23 ARG HB3 1 1 6 2702 1 1 23 ARG HD2 H 17.419 -3.395 -9.664 1.00 . A A . 23 ARG HD2 1 1 6 2703 1 1 23 ARG HD3 H 16.305 -2.028 -9.459 1.00 . A A . 23 ARG HD3 1 1 6 2704 1 1 23 ARG HE H 18.251 -0.561 -9.162 1.00 . A A . 23 ARG HE 1 1 6 2705 1 1 23 ARG HG2 H 17.771 -1.872 -7.149 1.00 . A A . 23 ARG HG2 1 1 6 2706 1 1 23 ARG HG3 H 17.744 -3.616 -7.409 1.00 . A A . 23 ARG HG3 1 1 6 2707 1 1 23 ARG HH11 H 20.138 -2.779 -8.252 1.00 . A A . 23 ARG HH11 1 1 6 2708 1 1 23 ARG HH12 H 21.184 -2.910 -9.626 1.00 . A A . 23 ARG HH12 1 1 6 2709 1 1 23 ARG HH21 H 19.062 -1.170 -11.744 1.00 . A A . 23 ARG HH21 1 1 6 2710 1 1 23 ARG HH22 H 20.576 -1.999 -11.601 1.00 . A A . 23 ARG HH22 1 1 6 2711 1 1 23 ARG N N 14.701 -4.214 -5.591 1.00 . A A . 23 ARG N 1 1 6 2712 1 1 23 ARG NE N 18.355 -1.506 -9.399 1.00 . A A . 23 ARG NE 1 1 6 2713 1 1 23 ARG NH1 N 20.330 -2.590 -9.215 1.00 . A A . 23 ARG NH1 1 1 6 2714 1 1 23 ARG NH2 N 19.722 -1.679 -11.191 1.00 . A A . 23 ARG NH2 1 1 6 2715 1 1 23 ARG O O 16.350 -1.276 -4.352 1.00 . A A . 23 ARG O 1 1 6 2716 1 1 24 ASN C C 14.042 0.545 -4.089 1.00 . A A . 24 ASN C 1 1 6 2717 1 1 24 ASN CA C 13.863 -0.808 -3.400 1.00 . A A . 24 ASN CA 1 1 6 2718 1 1 24 ASN CB C 14.817 -0.937 -2.213 1.00 . A A . 24 ASN CB 1 1 6 2719 1 1 24 ASN CG C 14.055 -0.675 -0.913 1.00 . A A . 24 ASN CG 1 1 6 2720 1 1 24 ASN H H 13.566 -2.551 -4.632 1.00 . A A . 24 ASN H 1 1 6 2721 1 1 24 ASN HA H 12.844 -0.931 -3.067 1.00 . A A . 24 ASN HA 1 1 6 2722 1 1 24 ASN HB2 H 15.234 -1.933 -2.192 1.00 . A A . 24 ASN HB2 1 1 6 2723 1 1 24 ASN HB3 H 15.614 -0.215 -2.313 1.00 . A A . 24 ASN HB3 1 1 6 2724 1 1 24 ASN HD21 H 13.255 1.024 -1.558 1.00 . A A . 24 ASN HD21 1 1 6 2725 1 1 24 ASN HD22 H 12.826 0.574 0.021 1.00 . A A . 24 ASN HD22 1 1 6 2726 1 1 24 ASN N N 14.245 -1.916 -4.323 1.00 . A A . 24 ASN N 1 1 6 2727 1 1 24 ASN ND2 N 13.318 0.397 -0.808 1.00 . A A . 24 ASN ND2 1 1 6 2728 1 1 24 ASN O O 15.043 1.212 -3.917 1.00 . A A . 24 ASN O 1 1 6 2729 1 1 24 ASN OD1 O 14.131 -1.454 0.017 1.00 . A A . 24 ASN OD1 1 1 6 2730 1 1 25 LEU C C 11.880 3.041 -5.528 1.00 . A A . 25 LEU C 1 1 6 2731 1 1 25 LEU CA C 13.206 2.269 -5.566 1.00 . A A . 25 LEU CA 1 1 6 2732 1 1 25 LEU CB C 13.583 1.918 -7.006 1.00 . A A . 25 LEU CB 1 1 6 2733 1 1 25 LEU CD1 C 12.226 1.183 -8.971 1.00 . A A . 25 LEU CD1 1 1 6 2734 1 1 25 LEU CD2 C 13.359 -0.514 -7.529 1.00 . A A . 25 LEU CD2 1 1 6 2735 1 1 25 LEU CG C 12.641 0.837 -7.539 1.00 . A A . 25 LEU CG 1 1 6 2736 1 1 25 LEU H H 12.282 0.405 -4.996 1.00 . A A . 25 LEU H 1 1 6 2737 1 1 25 LEU HA H 13.991 2.857 -5.118 1.00 . A A . 25 LEU HA 1 1 6 2738 1 1 25 LEU HB2 H 13.503 2.802 -7.623 1.00 . A A . 25 LEU HB2 1 1 6 2739 1 1 25 LEU HB3 H 14.597 1.552 -7.034 1.00 . A A . 25 LEU HB3 1 1 6 2740 1 1 25 LEU HD11 H 11.874 0.291 -9.468 1.00 . A A . 25 LEU HD11 1 1 6 2741 1 1 25 LEU HD12 H 13.077 1.580 -9.505 1.00 . A A . 25 LEU HD12 1 1 6 2742 1 1 25 LEU HD13 H 11.438 1.920 -8.949 1.00 . A A . 25 LEU HD13 1 1 6 2743 1 1 25 LEU HD21 H 14.365 -0.387 -7.899 1.00 . A A . 25 LEU HD21 1 1 6 2744 1 1 25 LEU HD22 H 12.828 -1.209 -8.163 1.00 . A A . 25 LEU HD22 1 1 6 2745 1 1 25 LEU HD23 H 13.393 -0.898 -6.519 1.00 . A A . 25 LEU HD23 1 1 6 2746 1 1 25 LEU HG H 11.763 0.784 -6.915 1.00 . A A . 25 LEU HG 1 1 6 2747 1 1 25 LEU N N 13.081 0.958 -4.869 1.00 . A A . 25 LEU N 1 1 6 2748 1 1 25 LEU O O 11.863 4.255 -5.549 1.00 . A A . 25 LEU O 1 1 6 2749 1 1 26 SER C C 8.492 2.399 -4.467 1.00 . A A . 26 SER C 1 1 6 2750 1 1 26 SER CA C 9.459 3.069 -5.450 1.00 . A A . 26 SER CA 1 1 6 2751 1 1 26 SER CB C 8.928 2.961 -6.879 1.00 . A A . 26 SER CB 1 1 6 2752 1 1 26 SER H H 10.794 1.377 -5.471 1.00 . A A . 26 SER H 1 1 6 2753 1 1 26 SER HA H 9.603 4.106 -5.190 1.00 . A A . 26 SER HA 1 1 6 2754 1 1 26 SER HB2 H 9.743 2.757 -7.553 1.00 . A A . 26 SER HB2 1 1 6 2755 1 1 26 SER HB3 H 8.208 2.156 -6.934 1.00 . A A . 26 SER HB3 1 1 6 2756 1 1 26 SER HG H 8.724 4.493 -8.060 1.00 . A A . 26 SER HG 1 1 6 2757 1 1 26 SER N N 10.769 2.354 -5.480 1.00 . A A . 26 SER N 1 1 6 2758 1 1 26 SER O O 7.367 2.826 -4.304 1.00 . A A . 26 SER O 1 1 6 2759 1 1 26 SER OG O 8.315 4.189 -7.247 1.00 . A A . 26 SER OG 1 1 6 2760 1 1 27 LEU C C 6.700 0.269 -3.523 1.00 . A A . 27 LEU C 1 1 6 2761 1 1 27 LEU CA C 8.015 0.667 -2.843 1.00 . A A . 27 LEU CA 1 1 6 2762 1 1 27 LEU CB C 7.758 1.691 -1.737 1.00 . A A . 27 LEU CB 1 1 6 2763 1 1 27 LEU CD1 C 7.857 -0.024 0.075 1.00 . A A . 27 LEU CD1 1 1 6 2764 1 1 27 LEU CD2 C 9.962 1.000 -0.796 1.00 . A A . 27 LEU CD2 1 1 6 2765 1 1 27 LEU CG C 8.491 1.259 -0.467 1.00 . A A . 27 LEU CG 1 1 6 2766 1 1 27 LEU H H 9.827 1.025 -3.951 1.00 . A A . 27 LEU H 1 1 6 2767 1 1 27 LEU HA H 8.502 -0.202 -2.432 1.00 . A A . 27 LEU HA 1 1 6 2768 1 1 27 LEU HB2 H 8.118 2.659 -2.051 1.00 . A A . 27 LEU HB2 1 1 6 2769 1 1 27 LEU HB3 H 6.700 1.747 -1.535 1.00 . A A . 27 LEU HB3 1 1 6 2770 1 1 27 LEU HD11 H 7.337 0.194 0.997 1.00 . A A . 27 LEU HD11 1 1 6 2771 1 1 27 LEU HD12 H 8.630 -0.757 0.261 1.00 . A A . 27 LEU HD12 1 1 6 2772 1 1 27 LEU HD13 H 7.158 -0.414 -0.650 1.00 . A A . 27 LEU HD13 1 1 6 2773 1 1 27 LEU HD21 H 10.174 -0.054 -0.693 1.00 . A A . 27 LEU HD21 1 1 6 2774 1 1 27 LEU HD22 H 10.586 1.561 -0.116 1.00 . A A . 27 LEU HD22 1 1 6 2775 1 1 27 LEU HD23 H 10.165 1.311 -1.810 1.00 . A A . 27 LEU HD23 1 1 6 2776 1 1 27 LEU HG H 8.417 2.040 0.275 1.00 . A A . 27 LEU HG 1 1 6 2777 1 1 27 LEU N N 8.917 1.356 -3.811 1.00 . A A . 27 LEU N 1 1 6 2778 1 1 27 LEU O O 6.554 -0.835 -4.007 1.00 . A A . 27 LEU O 1 1 6 2779 1 1 28 VAL C C 3.961 -0.555 -3.700 1.00 . A A . 28 VAL C 1 1 6 2780 1 1 28 VAL CA C 4.439 0.810 -4.199 1.00 . A A . 28 VAL CA 1 1 6 2781 1 1 28 VAL CB C 4.733 0.761 -5.699 1.00 . A A . 28 VAL CB 1 1 6 2782 1 1 28 VAL CG1 C 3.475 0.323 -6.449 1.00 . A A . 28 VAL CG1 1 1 6 2783 1 1 28 VAL CG2 C 5.154 2.150 -6.181 1.00 . A A . 28 VAL CG2 1 1 6 2784 1 1 28 VAL H H 5.873 2.038 -3.159 1.00 . A A . 28 VAL H 1 1 6 2785 1 1 28 VAL HA H 3.702 1.569 -3.989 1.00 . A A . 28 VAL HA 1 1 6 2786 1 1 28 VAL HB H 5.528 0.055 -5.886 1.00 . A A . 28 VAL HB 1 1 6 2787 1 1 28 VAL HG11 H 2.716 0.027 -5.739 1.00 . A A . 28 VAL HG11 1 1 6 2788 1 1 28 VAL HG12 H 3.712 -0.514 -7.091 1.00 . A A . 28 VAL HG12 1 1 6 2789 1 1 28 VAL HG13 H 3.108 1.143 -7.047 1.00 . A A . 28 VAL HG13 1 1 6 2790 1 1 28 VAL HG21 H 4.556 2.901 -5.685 1.00 . A A . 28 VAL HG21 1 1 6 2791 1 1 28 VAL HG22 H 5.009 2.220 -7.249 1.00 . A A . 28 VAL HG22 1 1 6 2792 1 1 28 VAL HG23 H 6.195 2.310 -5.948 1.00 . A A . 28 VAL HG23 1 1 6 2793 1 1 28 VAL N N 5.741 1.153 -3.558 1.00 . A A . 28 VAL N 1 1 6 2794 1 1 28 VAL O O 4.351 -1.586 -4.213 1.00 . A A . 28 VAL O 1 1 6 2795 1 1 29 TRP C C 1.420 -2.344 -2.958 1.00 . A A . 29 TRP C 1 1 6 2796 1 1 29 TRP CA C 2.639 -1.878 -2.161 1.00 . A A . 29 TRP CA 1 1 6 2797 1 1 29 TRP CB C 2.240 -1.623 -0.702 1.00 . A A . 29 TRP CB 1 1 6 2798 1 1 29 TRP CD1 C 4.402 -0.312 -0.438 1.00 . A A . 29 TRP CD1 1 1 6 2799 1 1 29 TRP CD2 C 2.856 0.218 1.106 1.00 . A A . 29 TRP CD2 1 1 6 2800 1 1 29 TRP CE2 C 3.986 1.023 1.373 1.00 . A A . 29 TRP CE2 1 1 6 2801 1 1 29 TRP CE3 C 1.733 0.351 1.940 1.00 . A A . 29 TRP CE3 1 1 6 2802 1 1 29 TRP CG C 3.137 -0.613 -0.055 1.00 . A A . 29 TRP CG 1 1 6 2803 1 1 29 TRP CH2 C 2.879 2.051 3.253 1.00 . A A . 29 TRP CH2 1 1 6 2804 1 1 29 TRP CZ2 C 4.003 1.931 2.432 1.00 . A A . 29 TRP CZ2 1 1 6 2805 1 1 29 TRP CZ3 C 1.746 1.262 3.009 1.00 . A A . 29 TRP CZ3 1 1 6 2806 1 1 29 TRP H H 2.831 0.266 -2.289 1.00 . A A . 29 TRP H 1 1 6 2807 1 1 29 TRP HA H 3.419 -2.620 -2.204 1.00 . A A . 29 TRP HA 1 1 6 2808 1 1 29 TRP HB2 H 1.224 -1.260 -0.672 1.00 . A A . 29 TRP HB2 1 1 6 2809 1 1 29 TRP HB3 H 2.298 -2.552 -0.154 1.00 . A A . 29 TRP HB3 1 1 6 2810 1 1 29 TRP HD1 H 4.927 -0.754 -1.271 1.00 . A A . 29 TRP HD1 1 1 6 2811 1 1 29 TRP HE1 H 5.794 1.067 0.336 1.00 . A A . 29 TRP HE1 1 1 6 2812 1 1 29 TRP HE3 H 0.857 -0.258 1.760 1.00 . A A . 29 TRP HE3 1 1 6 2813 1 1 29 TRP HH2 H 2.883 2.752 4.077 1.00 . A A . 29 TRP HH2 1 1 6 2814 1 1 29 TRP HZ2 H 4.878 2.537 2.616 1.00 . A A . 29 TRP HZ2 1 1 6 2815 1 1 29 TRP HZ3 H 0.877 1.356 3.644 1.00 . A A . 29 TRP HZ3 1 1 6 2816 1 1 29 TRP N N 3.128 -0.574 -2.695 1.00 . A A . 29 TRP N 1 1 6 2817 1 1 29 TRP NE1 N 4.902 0.667 0.402 1.00 . A A . 29 TRP NE1 1 1 6 2818 1 1 29 TRP O O 1.356 -2.194 -4.162 1.00 . A A . 29 TRP O 1 1 6 2819 1 1 30 GLY C C -1.964 -3.395 -2.054 1.00 . A A . 30 GLY C 1 1 6 2820 1 1 30 GLY CA C -0.767 -3.389 -3.010 1.00 . A A . 30 GLY CA 1 1 6 2821 1 1 30 GLY H H 0.527 -3.023 -1.321 1.00 . A A . 30 GLY H 1 1 6 2822 1 1 30 GLY HA2 H -0.974 -2.732 -3.843 1.00 . A A . 30 GLY HA2 1 1 6 2823 1 1 30 GLY HA3 H -0.599 -4.390 -3.375 1.00 . A A . 30 GLY HA3 1 1 6 2824 1 1 30 GLY N N 0.450 -2.911 -2.292 1.00 . A A . 30 GLY N 1 1 6 2825 1 1 30 GLY O O -1.867 -3.844 -0.929 1.00 . A A . 30 GLY O 1 1 6 2826 1 1 31 CYS C C -4.758 -4.321 -1.330 1.00 . A A . 31 CYS C 1 1 6 2827 1 1 31 CYS CA C -4.294 -2.889 -1.607 1.00 . A A . 31 CYS CA 1 1 6 2828 1 1 31 CYS CB C -5.365 -2.124 -2.390 1.00 . A A . 31 CYS CB 1 1 6 2829 1 1 31 CYS H H -3.151 -2.550 -3.405 1.00 . A A . 31 CYS H 1 1 6 2830 1 1 31 CYS HA H -4.074 -2.376 -0.684 1.00 . A A . 31 CYS HA 1 1 6 2831 1 1 31 CYS HB2 H -5.542 -2.620 -3.333 1.00 . A A . 31 CYS HB2 1 1 6 2832 1 1 31 CYS HB3 H -6.280 -2.103 -1.817 1.00 . A A . 31 CYS HB3 1 1 6 2833 1 1 31 CYS N N -3.092 -2.904 -2.494 1.00 . A A . 31 CYS N 1 1 6 2834 1 1 31 CYS O O -5.708 -4.798 -1.918 1.00 . A A . 31 CYS O 1 1 6 2835 1 1 31 CYS SG S -4.807 -0.430 -2.696 1.00 . A A . 31 CYS SG 1 1 6 2836 1 1 32 SER C C -6.000 -6.461 0.197 1.00 . A A . 32 SER C 1 1 6 2837 1 1 32 SER CA C -4.505 -6.411 -0.134 1.00 . A A . 32 SER CA 1 1 6 2838 1 1 32 SER CB C -3.669 -6.809 1.080 1.00 . A A . 32 SER CB 1 1 6 2839 1 1 32 SER H H -3.333 -4.609 0.021 1.00 . A A . 32 SER H 1 1 6 2840 1 1 32 SER HA H -4.281 -7.059 -0.966 1.00 . A A . 32 SER HA 1 1 6 2841 1 1 32 SER HB2 H -3.080 -5.968 1.405 1.00 . A A . 32 SER HB2 1 1 6 2842 1 1 32 SER HB3 H -4.326 -7.119 1.883 1.00 . A A . 32 SER HB3 1 1 6 2843 1 1 32 SER HG H -2.624 -7.811 -0.219 1.00 . A A . 32 SER HG 1 1 6 2844 1 1 32 SER N N -4.097 -5.011 -0.443 1.00 . A A . 32 SER N 1 1 6 2845 1 1 32 SER O O -6.498 -5.643 0.943 1.00 . A A . 32 SER O 1 1 6 2846 1 1 32 SER OG O -2.803 -7.877 0.722 1.00 . A A . 32 SER OG 1 1 6 2847 1 1 33 PRO C C -8.388 -8.102 1.271 1.00 . A A . 33 PRO C 1 1 6 2848 1 1 33 PRO CA C -8.124 -7.583 -0.145 1.00 . A A . 33 PRO CA 1 1 6 2849 1 1 33 PRO CB C -8.542 -8.612 -1.192 1.00 . A A . 33 PRO CB 1 1 6 2850 1 1 33 PRO CD C -6.136 -8.445 -1.286 1.00 . A A . 33 PRO CD 1 1 6 2851 1 1 33 PRO CG C -7.297 -9.382 -1.497 1.00 . A A . 33 PRO CG 1 1 6 2852 1 1 33 PRO HA H -8.640 -6.653 -0.314 1.00 . A A . 33 PRO HA 1 1 6 2853 1 1 33 PRO HB2 H -9.304 -9.265 -0.792 1.00 . A A . 33 PRO HB2 1 1 6 2854 1 1 33 PRO HB3 H -8.898 -8.118 -2.083 1.00 . A A . 33 PRO HB3 1 1 6 2855 1 1 33 PRO HD2 H -5.306 -8.968 -0.831 1.00 . A A . 33 PRO HD2 1 1 6 2856 1 1 33 PRO HD3 H -5.838 -7.994 -2.219 1.00 . A A . 33 PRO HD3 1 1 6 2857 1 1 33 PRO HG2 H -7.218 -10.230 -0.830 1.00 . A A . 33 PRO HG2 1 1 6 2858 1 1 33 PRO HG3 H -7.312 -9.718 -2.522 1.00 . A A . 33 PRO HG3 1 1 6 2859 1 1 33 PRO N N -6.667 -7.424 -0.377 1.00 . A A . 33 PRO N 1 1 6 2860 1 1 33 PRO O O -7.579 -8.800 1.850 1.00 . A A . 33 PRO O 1 1 6 2861 1 1 34 VAL C C -10.715 -9.479 3.156 1.00 . A A . 34 VAL C 1 1 6 2862 1 1 34 VAL CA C -9.832 -8.232 3.212 1.00 . A A . 34 VAL CA 1 1 6 2863 1 1 34 VAL CB C -10.583 -7.069 3.861 1.00 . A A . 34 VAL CB 1 1 6 2864 1 1 34 VAL CG1 C -11.812 -6.720 3.018 1.00 . A A . 34 VAL CG1 1 1 6 2865 1 1 34 VAL CG2 C -11.029 -7.475 5.267 1.00 . A A . 34 VAL CG2 1 1 6 2866 1 1 34 VAL H H -10.151 -7.197 1.350 1.00 . A A . 34 VAL H 1 1 6 2867 1 1 34 VAL HA H -8.925 -8.436 3.759 1.00 . A A . 34 VAL HA 1 1 6 2868 1 1 34 VAL HB H -9.933 -6.209 3.922 1.00 . A A . 34 VAL HB 1 1 6 2869 1 1 34 VAL HG11 H -12.566 -6.272 3.649 1.00 . A A . 34 VAL HG11 1 1 6 2870 1 1 34 VAL HG12 H -12.205 -7.619 2.568 1.00 . A A . 34 VAL HG12 1 1 6 2871 1 1 34 VAL HG13 H -11.530 -6.023 2.243 1.00 . A A . 34 VAL HG13 1 1 6 2872 1 1 34 VAL HG21 H -12.049 -7.829 5.233 1.00 . A A . 34 VAL HG21 1 1 6 2873 1 1 34 VAL HG22 H -10.966 -6.621 5.925 1.00 . A A . 34 VAL HG22 1 1 6 2874 1 1 34 VAL HG23 H -10.388 -8.261 5.635 1.00 . A A . 34 VAL HG23 1 1 6 2875 1 1 34 VAL N N -9.514 -7.762 1.834 1.00 . A A . 34 VAL N 1 1 6 2876 1 1 34 VAL O O -11.836 -9.478 3.625 1.00 . A A . 34 VAL O 1 1 6 2877 1 1 35 GLU C C -10.273 -12.958 3.134 1.00 . A A . 35 GLU C 1 1 6 2878 1 1 35 GLU CA C -11.035 -11.789 2.504 1.00 . A A . 35 GLU CA 1 1 6 2879 1 1 35 GLU CB C -11.246 -12.028 1.008 1.00 . A A . 35 GLU CB 1 1 6 2880 1 1 35 GLU CD C -12.597 -13.451 -0.541 1.00 . A A . 35 GLU CD 1 1 6 2881 1 1 35 GLU CG C -12.609 -12.690 0.785 1.00 . A A . 35 GLU CG 1 1 6 2882 1 1 35 GLU H H -9.314 -10.524 2.215 1.00 . A A . 35 GLU H 1 1 6 2883 1 1 35 GLU HA H -11.986 -11.651 2.993 1.00 . A A . 35 GLU HA 1 1 6 2884 1 1 35 GLU HB2 H -11.215 -11.084 0.484 1.00 . A A . 35 GLU HB2 1 1 6 2885 1 1 35 GLU HB3 H -10.469 -12.677 0.632 1.00 . A A . 35 GLU HB3 1 1 6 2886 1 1 35 GLU HG2 H -12.813 -13.377 1.594 1.00 . A A . 35 GLU HG2 1 1 6 2887 1 1 35 GLU HG3 H -13.377 -11.931 0.755 1.00 . A A . 35 GLU HG3 1 1 6 2888 1 1 35 GLU N N -10.221 -10.543 2.586 1.00 . A A . 35 GLU N 1 1 6 2889 1 1 35 GLU O O -10.130 -12.960 4.345 1.00 . A A . 35 GLU O 1 1 6 2890 1 1 35 GLU OXT O -9.844 -13.828 2.395 1.00 . A A . 35 GLU OXT 1 1 6 2891 1 1 35 GLU OE1 O -12.770 -12.815 -1.568 1.00 . A A . 35 GLU OE1 1 1 6 2892 1 1 35 GLU OE2 O -12.416 -14.657 -0.507 1.00 . A A . 35 GLU OE2 1 1 7 2893 1 1 1 ASP C C -7.065 3.331 2.140 1.00 . A A . 1 ASP C 1 1 7 2894 1 1 1 ASP CA C -7.611 1.979 2.606 1.00 . A A . 1 ASP CA 1 1 7 2895 1 1 1 ASP CB C -7.585 1.887 4.132 1.00 . A A . 1 ASP CB 1 1 7 2896 1 1 1 ASP CG C -8.834 1.148 4.621 1.00 . A A . 1 ASP CG 1 1 7 2897 1 1 1 ASP H1 H -6.813 0.778 1.103 1.00 . A A . 1 ASP H1 1 1 7 2898 1 1 1 ASP H2 H -7.004 -0.014 2.595 1.00 . A A . 1 ASP H2 1 1 7 2899 1 1 1 ASP H3 H -5.738 1.098 2.376 1.00 . A A . 1 ASP H3 1 1 7 2900 1 1 1 ASP HA H -8.620 1.835 2.242 1.00 . A A . 1 ASP HA 1 1 7 2901 1 1 1 ASP HB2 H -6.703 1.350 4.445 1.00 . A A . 1 ASP HB2 1 1 7 2902 1 1 1 ASP HB3 H -7.571 2.881 4.553 1.00 . A A . 1 ASP HB3 1 1 7 2903 1 1 1 ASP N N -6.724 0.877 2.135 1.00 . A A . 1 ASP N 1 1 7 2904 1 1 1 ASP O O -5.874 3.510 1.979 1.00 . A A . 1 ASP O 1 1 7 2905 1 1 1 ASP OD1 O -9.924 1.613 4.332 1.00 . A A . 1 ASP OD1 1 1 7 2906 1 1 1 ASP OD2 O -8.677 0.131 5.276 1.00 . A A . 1 ASP OD2 1 1 7 2907 1 1 2 HIS C C -6.144 6.012 1.949 1.00 . A A . 2 HIS C 1 1 7 2908 1 1 2 HIS CA C -7.533 5.624 1.427 1.00 . A A . 2 HIS CA 1 1 7 2909 1 1 2 HIS CB C -8.594 6.569 1.990 1.00 . A A . 2 HIS CB 1 1 7 2910 1 1 2 HIS CD2 C -9.809 5.434 4.028 1.00 . A A . 2 HIS CD2 1 1 7 2911 1 1 2 HIS CE1 C -8.567 6.230 5.615 1.00 . A A . 2 HIS CE1 1 1 7 2912 1 1 2 HIS CG C -8.858 6.226 3.432 1.00 . A A . 2 HIS CG 1 1 7 2913 1 1 2 HIS H H -8.899 4.071 2.031 1.00 . A A . 2 HIS H 1 1 7 2914 1 1 2 HIS HA H -7.550 5.661 0.351 1.00 . A A . 2 HIS HA 1 1 7 2915 1 1 2 HIS HB2 H -8.242 7.588 1.922 1.00 . A A . 2 HIS HB2 1 1 7 2916 1 1 2 HIS HB3 H -9.507 6.464 1.423 1.00 . A A . 2 HIS HB3 1 1 7 2917 1 1 2 HIS HD1 H -7.309 7.323 4.370 1.00 . A A . 2 HIS HD1 1 1 7 2918 1 1 2 HIS HD2 H -10.580 4.885 3.506 1.00 . A A . 2 HIS HD2 1 1 7 2919 1 1 2 HIS HE1 H -8.154 6.444 6.589 1.00 . A A . 2 HIS HE1 1 1 7 2920 1 1 2 HIS N N -7.946 4.266 1.905 1.00 . A A . 2 HIS N 1 1 7 2921 1 1 2 HIS ND1 N -8.078 6.723 4.463 1.00 . A A . 2 HIS ND1 1 1 7 2922 1 1 2 HIS NE2 N -9.622 5.438 5.407 1.00 . A A . 2 HIS NE2 1 1 7 2923 1 1 2 HIS O O -5.729 5.598 3.011 1.00 . A A . 2 HIS O 1 1 7 2924 1 1 3 VAL C C -3.142 6.080 1.896 1.00 . A A . 3 VAL C 1 1 7 2925 1 1 3 VAL CA C -4.070 7.266 1.602 1.00 . A A . 3 VAL CA 1 1 7 2926 1 1 3 VAL CB C -4.278 8.162 2.841 1.00 . A A . 3 VAL CB 1 1 7 2927 1 1 3 VAL CG1 C -4.157 7.368 4.152 1.00 . A A . 3 VAL CG1 1 1 7 2928 1 1 3 VAL CG2 C -3.219 9.266 2.833 1.00 . A A . 3 VAL CG2 1 1 7 2929 1 1 3 VAL H H -5.813 7.127 0.346 1.00 . A A . 3 VAL H 1 1 7 2930 1 1 3 VAL HA H -3.643 7.861 0.809 1.00 . A A . 3 VAL HA 1 1 7 2931 1 1 3 VAL HB H -5.258 8.613 2.789 1.00 . A A . 3 VAL HB 1 1 7 2932 1 1 3 VAL HG11 H -3.292 7.712 4.699 1.00 . A A . 3 VAL HG11 1 1 7 2933 1 1 3 VAL HG12 H -4.053 6.318 3.947 1.00 . A A . 3 VAL HG12 1 1 7 2934 1 1 3 VAL HG13 H -5.041 7.528 4.751 1.00 . A A . 3 VAL HG13 1 1 7 2935 1 1 3 VAL HG21 H -3.178 9.719 1.853 1.00 . A A . 3 VAL HG21 1 1 7 2936 1 1 3 VAL HG22 H -2.255 8.842 3.071 1.00 . A A . 3 VAL HG22 1 1 7 2937 1 1 3 VAL HG23 H -3.474 10.017 3.567 1.00 . A A . 3 VAL HG23 1 1 7 2938 1 1 3 VAL N N -5.437 6.813 1.196 1.00 . A A . 3 VAL N 1 1 7 2939 1 1 3 VAL O O -3.557 5.049 2.385 1.00 . A A . 3 VAL O 1 1 7 2940 1 1 4 CYS C C 0.473 5.564 1.281 1.00 . A A . 4 CYS C 1 1 7 2941 1 1 4 CYS CA C -0.888 5.151 1.847 1.00 . A A . 4 CYS CA 1 1 7 2942 1 1 4 CYS CB C -1.422 3.919 1.114 1.00 . A A . 4 CYS CB 1 1 7 2943 1 1 4 CYS H H -1.579 7.084 1.206 1.00 . A A . 4 CYS H 1 1 7 2944 1 1 4 CYS HA H -0.810 4.949 2.904 1.00 . A A . 4 CYS HA 1 1 7 2945 1 1 4 CYS HB2 H -2.478 4.037 0.924 1.00 . A A . 4 CYS HB2 1 1 7 2946 1 1 4 CYS HB3 H -0.897 3.801 0.178 1.00 . A A . 4 CYS HB3 1 1 7 2947 1 1 4 CYS N N -1.880 6.238 1.597 1.00 . A A . 4 CYS N 1 1 7 2948 1 1 4 CYS O O 0.816 5.240 0.161 1.00 . A A . 4 CYS O 1 1 7 2949 1 1 4 CYS SG S -1.149 2.455 2.145 1.00 . A A . 4 CYS SG 1 1 7 2950 1 1 5 ASP C C 2.409 7.798 0.464 1.00 . A A . 5 ASP C 1 1 7 2951 1 1 5 ASP CA C 2.583 6.737 1.553 1.00 . A A . 5 ASP CA 1 1 7 2952 1 1 5 ASP CB C 3.248 5.485 0.980 1.00 . A A . 5 ASP CB 1 1 7 2953 1 1 5 ASP CG C 4.642 5.324 1.588 1.00 . A A . 5 ASP CG 1 1 7 2954 1 1 5 ASP H H 0.945 6.544 2.941 1.00 . A A . 5 ASP H 1 1 7 2955 1 1 5 ASP HA H 3.171 7.127 2.368 1.00 . A A . 5 ASP HA 1 1 7 2956 1 1 5 ASP HB2 H 2.649 4.618 1.216 1.00 . A A . 5 ASP HB2 1 1 7 2957 1 1 5 ASP HB3 H 3.335 5.583 -0.093 1.00 . A A . 5 ASP HB3 1 1 7 2958 1 1 5 ASP N N 1.246 6.288 2.045 1.00 . A A . 5 ASP N 1 1 7 2959 1 1 5 ASP O O 3.291 8.027 -0.339 1.00 . A A . 5 ASP O 1 1 7 2960 1 1 5 ASP OD1 O 4.732 4.793 2.683 1.00 . A A . 5 ASP OD1 1 1 7 2961 1 1 5 ASP OD2 O 5.597 5.734 0.950 1.00 . A A . 5 ASP OD2 1 1 7 2962 1 1 6 ASP C C 1.342 8.946 -1.998 1.00 . A A . 6 ASP C 1 1 7 2963 1 1 6 ASP CA C 1.045 9.496 -0.600 1.00 . A A . 6 ASP CA 1 1 7 2964 1 1 6 ASP CB C 2.019 10.620 -0.252 1.00 . A A . 6 ASP CB 1 1 7 2965 1 1 6 ASP CG C 1.336 11.617 0.685 1.00 . A A . 6 ASP CG 1 1 7 2966 1 1 6 ASP H H 0.580 8.249 1.092 1.00 . A A . 6 ASP H 1 1 7 2967 1 1 6 ASP HA H 0.032 9.861 -0.548 1.00 . A A . 6 ASP HA 1 1 7 2968 1 1 6 ASP HB2 H 2.887 10.201 0.237 1.00 . A A . 6 ASP HB2 1 1 7 2969 1 1 6 ASP HB3 H 2.323 11.126 -1.155 1.00 . A A . 6 ASP HB3 1 1 7 2970 1 1 6 ASP N N 1.278 8.449 0.434 1.00 . A A . 6 ASP N 1 1 7 2971 1 1 6 ASP O O 1.563 9.689 -2.933 1.00 . A A . 6 ASP O 1 1 7 2972 1 1 6 ASP OD1 O 0.796 11.182 1.690 1.00 . A A . 6 ASP OD1 1 1 7 2973 1 1 6 ASP OD2 O 1.362 12.798 0.382 1.00 . A A . 6 ASP OD2 1 1 7 2974 1 1 7 ASN C C 0.739 5.840 -3.731 1.00 . A A . 7 ASN C 1 1 7 2975 1 1 7 ASN CA C 1.627 7.062 -3.492 1.00 . A A . 7 ASN CA 1 1 7 2976 1 1 7 ASN CB C 3.098 6.653 -3.456 1.00 . A A . 7 ASN CB 1 1 7 2977 1 1 7 ASN CG C 3.491 6.054 -4.809 1.00 . A A . 7 ASN CG 1 1 7 2978 1 1 7 ASN H H 1.165 7.064 -1.387 1.00 . A A . 7 ASN H 1 1 7 2979 1 1 7 ASN HA H 1.469 7.798 -4.265 1.00 . A A . 7 ASN HA 1 1 7 2980 1 1 7 ASN HB2 H 3.709 7.520 -3.253 1.00 . A A . 7 ASN HB2 1 1 7 2981 1 1 7 ASN HB3 H 3.248 5.916 -2.682 1.00 . A A . 7 ASN HB3 1 1 7 2982 1 1 7 ASN HD21 H 3.851 4.247 -4.069 1.00 . A A . 7 ASN HD21 1 1 7 2983 1 1 7 ASN HD22 H 4.093 4.406 -5.741 1.00 . A A . 7 ASN HD22 1 1 7 2984 1 1 7 ASN N N 1.347 7.650 -2.151 1.00 . A A . 7 ASN N 1 1 7 2985 1 1 7 ASN ND2 N 3.841 4.798 -4.879 1.00 . A A . 7 ASN ND2 1 1 7 2986 1 1 7 ASN O O 0.936 5.092 -4.667 1.00 . A A . 7 ASN O 1 1 7 2987 1 1 7 ASN OD1 O 3.477 6.734 -5.815 1.00 . A A . 7 ASN OD1 1 1 7 2988 1 1 8 PHE C C -2.231 4.448 -2.012 1.00 . A A . 8 PHE C 1 1 7 2989 1 1 8 PHE CA C -1.132 4.454 -3.077 1.00 . A A . 8 PHE CA 1 1 7 2990 1 1 8 PHE CB C -0.225 3.237 -2.908 1.00 . A A . 8 PHE CB 1 1 7 2991 1 1 8 PHE CD1 C -1.806 1.285 -2.705 1.00 . A A . 8 PHE CD1 1 1 7 2992 1 1 8 PHE CD2 C -0.631 1.622 -4.800 1.00 . A A . 8 PHE CD2 1 1 7 2993 1 1 8 PHE CE1 C -2.436 0.155 -3.240 1.00 . A A . 8 PHE CE1 1 1 7 2994 1 1 8 PHE CE2 C -1.260 0.492 -5.335 1.00 . A A . 8 PHE CE2 1 1 7 2995 1 1 8 PHE CG C -0.904 2.018 -3.486 1.00 . A A . 8 PHE CG 1 1 7 2996 1 1 8 PHE CZ C -2.163 -0.241 -4.555 1.00 . A A . 8 PHE CZ 1 1 7 2997 1 1 8 PHE H H -0.380 6.247 -2.143 1.00 . A A . 8 PHE H 1 1 7 2998 1 1 8 PHE HA H -1.563 4.458 -4.065 1.00 . A A . 8 PHE HA 1 1 7 2999 1 1 8 PHE HB2 H 0.708 3.409 -3.426 1.00 . A A . 8 PHE HB2 1 1 7 3000 1 1 8 PHE HB3 H -0.029 3.076 -1.859 1.00 . A A . 8 PHE HB3 1 1 7 3001 1 1 8 PHE HD1 H -2.016 1.591 -1.691 1.00 . A A . 8 PHE HD1 1 1 7 3002 1 1 8 PHE HD2 H 0.065 2.188 -5.401 1.00 . A A . 8 PHE HD2 1 1 7 3003 1 1 8 PHE HE1 H -3.133 -0.411 -2.639 1.00 . A A . 8 PHE HE1 1 1 7 3004 1 1 8 PHE HE2 H -1.050 0.185 -6.349 1.00 . A A . 8 PHE HE2 1 1 7 3005 1 1 8 PHE HZ H -2.648 -1.114 -4.968 1.00 . A A . 8 PHE HZ 1 1 7 3006 1 1 8 PHE N N -0.237 5.631 -2.893 1.00 . A A . 8 PHE N 1 1 7 3007 1 1 8 PHE O O -2.150 5.145 -1.021 1.00 . A A . 8 PHE O 1 1 7 3008 1 1 9 SER C C -5.537 2.806 -1.745 1.00 . A A . 9 SER C 1 1 7 3009 1 1 9 SER CA C -4.353 3.609 -1.202 1.00 . A A . 9 SER CA 1 1 7 3010 1 1 9 SER CB C -4.756 5.062 -0.971 1.00 . A A . 9 SER CB 1 1 7 3011 1 1 9 SER H H -3.298 3.105 -3.014 1.00 . A A . 9 SER H 1 1 7 3012 1 1 9 SER HA H -3.996 3.176 -0.281 1.00 . A A . 9 SER HA 1 1 7 3013 1 1 9 SER HB2 H -5.788 5.106 -0.665 1.00 . A A . 9 SER HB2 1 1 7 3014 1 1 9 SER HB3 H -4.134 5.488 -0.193 1.00 . A A . 9 SER HB3 1 1 7 3015 1 1 9 SER HG H -5.288 6.452 -2.224 1.00 . A A . 9 SER HG 1 1 7 3016 1 1 9 SER N N -3.254 3.662 -2.208 1.00 . A A . 9 SER N 1 1 7 3017 1 1 9 SER O O -5.861 2.867 -2.914 1.00 . A A . 9 SER O 1 1 7 3018 1 1 9 SER OG O -4.592 5.793 -2.179 1.00 . A A . 9 SER OG 1 1 7 3019 1 1 10 CYS C C -8.583 1.645 -0.505 1.00 . A A . 10 CYS C 1 1 7 3020 1 1 10 CYS CA C -7.361 1.255 -1.341 1.00 . A A . 10 CYS CA 1 1 7 3021 1 1 10 CYS CB C -6.956 -0.197 -1.075 1.00 . A A . 10 CYS CB 1 1 7 3022 1 1 10 CYS H H -5.907 2.039 0.042 1.00 . A A . 10 CYS H 1 1 7 3023 1 1 10 CYS HA H -7.551 1.406 -2.392 1.00 . A A . 10 CYS HA 1 1 7 3024 1 1 10 CYS HB2 H -6.072 -0.214 -0.455 1.00 . A A . 10 CYS HB2 1 1 7 3025 1 1 10 CYS HB3 H -7.759 -0.707 -0.566 1.00 . A A . 10 CYS HB3 1 1 7 3026 1 1 10 CYS N N -6.188 2.063 -0.897 1.00 . A A . 10 CYS N 1 1 7 3027 1 1 10 CYS O O -8.525 2.581 0.258 1.00 . A A . 10 CYS O 1 1 7 3028 1 1 10 CYS SG S -6.609 -1.028 -2.646 1.00 . A A . 10 CYS SG 1 1 7 3029 1 1 11 PRO C C -10.869 0.481 1.438 1.00 . A A . 11 PRO C 1 1 7 3030 1 1 11 PRO CA C -10.873 1.233 0.105 1.00 . A A . 11 PRO CA 1 1 7 3031 1 1 11 PRO CB C -11.989 0.736 -0.802 1.00 . A A . 11 PRO CB 1 1 7 3032 1 1 11 PRO CD C -9.862 -0.204 -1.571 1.00 . A A . 11 PRO CD 1 1 7 3033 1 1 11 PRO CG C -11.369 -0.323 -1.674 1.00 . A A . 11 PRO CG 1 1 7 3034 1 1 11 PRO HA H -10.964 2.294 0.265 1.00 . A A . 11 PRO HA 1 1 7 3035 1 1 11 PRO HB2 H -12.788 0.313 -0.208 1.00 . A A . 11 PRO HB2 1 1 7 3036 1 1 11 PRO HB3 H -12.361 1.544 -1.412 1.00 . A A . 11 PRO HB3 1 1 7 3037 1 1 11 PRO HD2 H -9.443 -1.110 -1.154 1.00 . A A . 11 PRO HD2 1 1 7 3038 1 1 11 PRO HD3 H -9.430 0.006 -2.537 1.00 . A A . 11 PRO HD3 1 1 7 3039 1 1 11 PRO HG2 H -11.683 -1.302 -1.337 1.00 . A A . 11 PRO HG2 1 1 7 3040 1 1 11 PRO HG3 H -11.672 -0.175 -2.698 1.00 . A A . 11 PRO HG3 1 1 7 3041 1 1 11 PRO N N -9.657 0.927 -0.668 1.00 . A A . 11 PRO N 1 1 7 3042 1 1 11 PRO O O -9.877 -0.100 1.834 1.00 . A A . 11 PRO O 1 1 7 3043 1 1 12 ALA C C -12.348 -1.701 3.237 1.00 . A A . 12 ALA C 1 1 7 3044 1 1 12 ALA CA C -12.037 -0.215 3.446 1.00 . A A . 12 ALA CA 1 1 7 3045 1 1 12 ALA CB C -13.175 0.466 4.208 1.00 . A A . 12 ALA CB 1 1 7 3046 1 1 12 ALA H H -12.760 0.969 1.797 1.00 . A A . 12 ALA H 1 1 7 3047 1 1 12 ALA HA H -11.110 -0.093 3.984 1.00 . A A . 12 ALA HA 1 1 7 3048 1 1 12 ALA HB1 H -12.765 1.074 5.001 1.00 . A A . 12 ALA HB1 1 1 7 3049 1 1 12 ALA HB2 H -13.826 -0.286 4.630 1.00 . A A . 12 ALA HB2 1 1 7 3050 1 1 12 ALA HB3 H -13.740 1.090 3.531 1.00 . A A . 12 ALA HB3 1 1 7 3051 1 1 12 ALA N N -11.974 0.493 2.135 1.00 . A A . 12 ALA N 1 1 7 3052 1 1 12 ALA O O -12.487 -2.454 4.180 1.00 . A A . 12 ALA O 1 1 7 3053 1 1 13 GLY C C -11.460 -4.355 1.652 1.00 . A A . 13 GLY C 1 1 7 3054 1 1 13 GLY CA C -12.764 -3.562 1.744 1.00 . A A . 13 GLY CA 1 1 7 3055 1 1 13 GLY H H -12.345 -1.503 1.261 1.00 . A A . 13 GLY H 1 1 7 3056 1 1 13 GLY HA2 H -13.370 -3.954 2.549 1.00 . A A . 13 GLY HA2 1 1 7 3057 1 1 13 GLY HA3 H -13.302 -3.651 0.812 1.00 . A A . 13 GLY HA3 1 1 7 3058 1 1 13 GLY N N -12.460 -2.127 2.008 1.00 . A A . 13 GLY N 1 1 7 3059 1 1 13 GLY O O -11.416 -5.531 1.956 1.00 . A A . 13 GLY O 1 1 7 3060 1 1 14 SER C C -8.148 -3.991 2.241 1.00 . A A . 14 SER C 1 1 7 3061 1 1 14 SER CA C -9.097 -4.446 1.130 1.00 . A A . 14 SER CA 1 1 7 3062 1 1 14 SER CB C -8.543 -4.061 -0.239 1.00 . A A . 14 SER CB 1 1 7 3063 1 1 14 SER H H -10.452 -2.775 0.999 1.00 . A A . 14 SER H 1 1 7 3064 1 1 14 SER HA H -9.253 -5.511 1.179 1.00 . A A . 14 SER HA 1 1 7 3065 1 1 14 SER HB2 H -8.134 -3.064 -0.197 1.00 . A A . 14 SER HB2 1 1 7 3066 1 1 14 SER HB3 H -7.763 -4.757 -0.519 1.00 . A A . 14 SER HB3 1 1 7 3067 1 1 14 SER HG H -9.524 -3.308 -1.740 1.00 . A A . 14 SER HG 1 1 7 3068 1 1 14 SER N N -10.397 -3.724 1.238 1.00 . A A . 14 SER N 1 1 7 3069 1 1 14 SER O O -8.569 -3.650 3.328 1.00 . A A . 14 SER O 1 1 7 3070 1 1 14 SER OG O -9.592 -4.096 -1.196 1.00 . A A . 14 SER OG 1 1 7 3071 1 1 15 THR C C -4.552 -3.199 2.388 1.00 . A A . 15 THR C 1 1 7 3072 1 1 15 THR CA C -5.901 -3.548 3.023 1.00 . A A . 15 THR CA 1 1 7 3073 1 1 15 THR CB C -5.758 -4.749 3.958 1.00 . A A . 15 THR CB 1 1 7 3074 1 1 15 THR CG2 C -5.070 -4.309 5.251 1.00 . A A . 15 THR CG2 1 1 7 3075 1 1 15 THR H H -6.549 -4.261 1.094 1.00 . A A . 15 THR H 1 1 7 3076 1 1 15 THR HA H -6.290 -2.702 3.567 1.00 . A A . 15 THR HA 1 1 7 3077 1 1 15 THR HB H -5.160 -5.509 3.479 1.00 . A A . 15 THR HB 1 1 7 3078 1 1 15 THR HG1 H -6.974 -5.797 5.055 1.00 . A A . 15 THR HG1 1 1 7 3079 1 1 15 THR HG21 H -5.797 -4.267 6.049 1.00 . A A . 15 THR HG21 1 1 7 3080 1 1 15 THR HG22 H -4.634 -3.330 5.111 1.00 . A A . 15 THR HG22 1 1 7 3081 1 1 15 THR HG23 H -4.295 -5.016 5.506 1.00 . A A . 15 THR HG23 1 1 7 3082 1 1 15 THR N N -6.870 -3.983 1.978 1.00 . A A . 15 THR N 1 1 7 3083 1 1 15 THR O O -3.928 -4.017 1.742 1.00 . A A . 15 THR O 1 1 7 3084 1 1 15 THR OG1 O -7.044 -5.273 4.254 1.00 . A A . 15 THR OG1 1 1 7 3085 1 1 16 CYS C C -1.692 -2.569 2.389 1.00 . A A . 16 CYS C 1 1 7 3086 1 1 16 CYS CA C -2.790 -1.578 1.985 1.00 . A A . 16 CYS CA 1 1 7 3087 1 1 16 CYS CB C -2.519 -0.198 2.583 1.00 . A A . 16 CYS CB 1 1 7 3088 1 1 16 CYS H H -4.620 -1.349 3.100 1.00 . A A . 16 CYS H 1 1 7 3089 1 1 16 CYS HA H -2.863 -1.508 0.912 1.00 . A A . 16 CYS HA 1 1 7 3090 1 1 16 CYS HB2 H -3.374 0.116 3.164 1.00 . A A . 16 CYS HB2 1 1 7 3091 1 1 16 CYS HB3 H -1.650 -0.246 3.221 1.00 . A A . 16 CYS HB3 1 1 7 3092 1 1 16 CYS N N -4.099 -1.990 2.572 1.00 . A A . 16 CYS N 1 1 7 3093 1 1 16 CYS O O -1.435 -2.781 3.558 1.00 . A A . 16 CYS O 1 1 7 3094 1 1 16 CYS SG S -2.225 0.995 1.254 1.00 . A A . 16 CYS SG 1 1 7 3095 1 1 17 SER C C 1.270 -3.410 2.307 1.00 . A A . 17 SER C 1 1 7 3096 1 1 17 SER CA C 0.041 -4.151 1.774 1.00 . A A . 17 SER CA 1 1 7 3097 1 1 17 SER CB C 0.377 -4.867 0.465 1.00 . A A . 17 SER CB 1 1 7 3098 1 1 17 SER H H -1.258 -2.994 0.495 1.00 . A A . 17 SER H 1 1 7 3099 1 1 17 SER HA H -0.312 -4.863 2.502 1.00 . A A . 17 SER HA 1 1 7 3100 1 1 17 SER HB2 H -0.065 -4.338 -0.362 1.00 . A A . 17 SER HB2 1 1 7 3101 1 1 17 SER HB3 H 1.451 -4.898 0.338 1.00 . A A . 17 SER HB3 1 1 7 3102 1 1 17 SER HG H -0.299 -6.478 -0.394 1.00 . A A . 17 SER HG 1 1 7 3103 1 1 17 SER N N -1.039 -3.177 1.433 1.00 . A A . 17 SER N 1 1 7 3104 1 1 17 SER O O 1.423 -3.232 3.500 1.00 . A A . 17 SER O 1 1 7 3105 1 1 17 SER OG O -0.146 -6.188 0.509 1.00 . A A . 17 SER OG 1 1 7 3106 1 1 18 SER C C 4.226 -1.809 0.730 1.00 . A A . 18 SER C 1 1 7 3107 1 1 18 SER CA C 3.358 -2.254 1.915 1.00 . A A . 18 SER CA 1 1 7 3108 1 1 18 SER CB C 4.104 -3.267 2.785 1.00 . A A . 18 SER CB 1 1 7 3109 1 1 18 SER H H 2.007 -3.128 0.481 1.00 . A A . 18 SER H 1 1 7 3110 1 1 18 SER HA H 3.072 -1.401 2.508 1.00 . A A . 18 SER HA 1 1 7 3111 1 1 18 SER HB2 H 4.718 -2.747 3.501 1.00 . A A . 18 SER HB2 1 1 7 3112 1 1 18 SER HB3 H 3.389 -3.886 3.311 1.00 . A A . 18 SER HB3 1 1 7 3113 1 1 18 SER HG H 4.520 -4.139 1.096 1.00 . A A . 18 SER HG 1 1 7 3114 1 1 18 SER N N 2.146 -2.978 1.439 1.00 . A A . 18 SER N 1 1 7 3115 1 1 18 SER O O 3.735 -1.277 -0.246 1.00 . A A . 18 SER O 1 1 7 3116 1 1 18 SER OG O 4.932 -4.076 1.960 1.00 . A A . 18 SER OG 1 1 7 3117 1 1 19 ALA C C 7.877 -1.717 0.138 1.00 . A A . 19 ALA C 1 1 7 3118 1 1 19 ALA CA C 6.416 -1.596 -0.303 1.00 . A A . 19 ALA CA 1 1 7 3119 1 1 19 ALA CB C 6.058 -0.134 -0.571 1.00 . A A . 19 ALA CB 1 1 7 3120 1 1 19 ALA H H 5.895 -2.436 1.607 1.00 . A A . 19 ALA H 1 1 7 3121 1 1 19 ALA HA H 6.231 -2.192 -1.182 1.00 . A A . 19 ALA HA 1 1 7 3122 1 1 19 ALA HB1 H 5.603 0.295 0.309 1.00 . A A . 19 ALA HB1 1 1 7 3123 1 1 19 ALA HB2 H 5.365 -0.079 -1.397 1.00 . A A . 19 ALA HB2 1 1 7 3124 1 1 19 ALA HB3 H 6.955 0.416 -0.817 1.00 . A A . 19 ALA HB3 1 1 7 3125 1 1 19 ALA N N 5.515 -2.014 0.812 1.00 . A A . 19 ALA N 1 1 7 3126 1 1 19 ALA O O 8.169 -1.839 1.311 1.00 . A A . 19 ALA O 1 1 7 3127 1 1 20 PHE C C 10.970 -0.468 -0.597 1.00 . A A . 20 PHE C 1 1 7 3128 1 1 20 PHE CA C 10.237 -1.794 -0.379 1.00 . A A . 20 PHE CA 1 1 7 3129 1 1 20 PHE CB C 10.867 -2.902 -1.239 1.00 . A A . 20 PHE CB 1 1 7 3130 1 1 20 PHE CD1 C 10.108 -2.121 -3.523 1.00 . A A . 20 PHE CD1 1 1 7 3131 1 1 20 PHE CD2 C 9.447 -4.325 -2.757 1.00 . A A . 20 PHE CD2 1 1 7 3132 1 1 20 PHE CE1 C 9.432 -2.340 -4.730 1.00 . A A . 20 PHE CE1 1 1 7 3133 1 1 20 PHE CE2 C 8.767 -4.541 -3.961 1.00 . A A . 20 PHE CE2 1 1 7 3134 1 1 20 PHE CG C 10.115 -3.115 -2.535 1.00 . A A . 20 PHE CG 1 1 7 3135 1 1 20 PHE CZ C 8.762 -3.551 -4.948 1.00 . A A . 20 PHE CZ 1 1 7 3136 1 1 20 PHE H H 8.561 -1.580 -1.728 1.00 . A A . 20 PHE H 1 1 7 3137 1 1 20 PHE HA H 10.298 -2.073 0.661 1.00 . A A . 20 PHE HA 1 1 7 3138 1 1 20 PHE HB2 H 11.884 -2.628 -1.470 1.00 . A A . 20 PHE HB2 1 1 7 3139 1 1 20 PHE HB3 H 10.870 -3.823 -0.678 1.00 . A A . 20 PHE HB3 1 1 7 3140 1 1 20 PHE HD1 H 10.623 -1.188 -3.353 1.00 . A A . 20 PHE HD1 1 1 7 3141 1 1 20 PHE HD2 H 9.450 -5.090 -1.995 1.00 . A A . 20 PHE HD2 1 1 7 3142 1 1 20 PHE HE1 H 9.426 -1.573 -5.491 1.00 . A A . 20 PHE HE1 1 1 7 3143 1 1 20 PHE HE2 H 8.251 -5.474 -4.130 1.00 . A A . 20 PHE HE2 1 1 7 3144 1 1 20 PHE HZ H 8.241 -3.719 -5.879 1.00 . A A . 20 PHE HZ 1 1 7 3145 1 1 20 PHE N N 8.804 -1.682 -0.784 1.00 . A A . 20 PHE N 1 1 7 3146 1 1 20 PHE O O 11.318 -0.110 -1.705 1.00 . A A . 20 PHE O 1 1 7 3147 1 1 21 GLY C C 13.451 1.305 0.408 1.00 . A A . 21 GLY C 1 1 7 3148 1 1 21 GLY CA C 11.943 1.555 0.325 1.00 . A A . 21 GLY CA 1 1 7 3149 1 1 21 GLY H H 10.939 -0.054 1.346 1.00 . A A . 21 GLY H 1 1 7 3150 1 1 21 GLY HA2 H 11.701 2.006 -0.627 1.00 . A A . 21 GLY HA2 1 1 7 3151 1 1 21 GLY HA3 H 11.648 2.217 1.125 1.00 . A A . 21 GLY HA3 1 1 7 3152 1 1 21 GLY N N 11.220 0.258 0.460 1.00 . A A . 21 GLY N 1 1 7 3153 1 1 21 GLY O O 14.246 2.224 0.390 1.00 . A A . 21 GLY O 1 1 7 3154 1 1 22 PHE C C 15.669 -1.295 -0.477 1.00 . A A . 22 PHE C 1 1 7 3155 1 1 22 PHE CA C 15.304 -0.254 0.583 1.00 . A A . 22 PHE CA 1 1 7 3156 1 1 22 PHE CB C 15.495 -0.826 1.989 1.00 . A A . 22 PHE CB 1 1 7 3157 1 1 22 PHE CD1 C 17.903 -0.096 1.818 1.00 . A A . 22 PHE CD1 1 1 7 3158 1 1 22 PHE CD2 C 17.390 -2.176 2.956 1.00 . A A . 22 PHE CD2 1 1 7 3159 1 1 22 PHE CE1 C 19.266 -0.294 2.074 1.00 . A A . 22 PHE CE1 1 1 7 3160 1 1 22 PHE CE2 C 18.752 -2.373 3.210 1.00 . A A . 22 PHE CE2 1 1 7 3161 1 1 22 PHE CG C 16.965 -1.037 2.260 1.00 . A A . 22 PHE CG 1 1 7 3162 1 1 22 PHE CZ C 19.690 -1.432 2.770 1.00 . A A . 22 PHE CZ 1 1 7 3163 1 1 22 PHE H H 13.193 -0.661 0.512 1.00 . A A . 22 PHE H 1 1 7 3164 1 1 22 PHE HA H 15.897 0.638 0.461 1.00 . A A . 22 PHE HA 1 1 7 3165 1 1 22 PHE HB2 H 15.091 -0.134 2.714 1.00 . A A . 22 PHE HB2 1 1 7 3166 1 1 22 PHE HB3 H 14.977 -1.769 2.065 1.00 . A A . 22 PHE HB3 1 1 7 3167 1 1 22 PHE HD1 H 17.576 0.781 1.282 1.00 . A A . 22 PHE HD1 1 1 7 3168 1 1 22 PHE HD2 H 16.667 -2.902 3.297 1.00 . A A . 22 PHE HD2 1 1 7 3169 1 1 22 PHE HE1 H 19.989 0.432 1.734 1.00 . A A . 22 PHE HE1 1 1 7 3170 1 1 22 PHE HE2 H 19.080 -3.250 3.748 1.00 . A A . 22 PHE HE2 1 1 7 3171 1 1 22 PHE HZ H 20.741 -1.584 2.966 1.00 . A A . 22 PHE HZ 1 1 7 3172 1 1 22 PHE N N 13.850 0.064 0.498 1.00 . A A . 22 PHE N 1 1 7 3173 1 1 22 PHE O O 14.860 -2.121 -0.850 1.00 . A A . 22 PHE O 1 1 7 3174 1 1 23 ARG C C 16.566 -1.973 -3.329 1.00 . A A . 23 ARG C 1 1 7 3175 1 1 23 ARG CA C 17.288 -2.261 -2.007 1.00 . A A . 23 ARG CA 1 1 7 3176 1 1 23 ARG CB C 16.869 -3.622 -1.448 1.00 . A A . 23 ARG CB 1 1 7 3177 1 1 23 ARG CD C 19.294 -4.015 -0.972 1.00 . A A . 23 ARG CD 1 1 7 3178 1 1 23 ARG CG C 18.026 -4.614 -1.591 1.00 . A A . 23 ARG CG 1 1 7 3179 1 1 23 ARG CZ C 21.531 -3.758 -1.867 1.00 . A A . 23 ARG CZ 1 1 7 3180 1 1 23 ARG H H 17.518 -0.593 -0.656 1.00 . A A . 23 ARG H 1 1 7 3181 1 1 23 ARG HA H 18.356 -2.234 -2.151 1.00 . A A . 23 ARG HA 1 1 7 3182 1 1 23 ARG HB2 H 16.611 -3.517 -0.403 1.00 . A A . 23 ARG HB2 1 1 7 3183 1 1 23 ARG HB3 H 16.014 -3.989 -1.995 1.00 . A A . 23 ARG HB3 1 1 7 3184 1 1 23 ARG HD2 H 19.080 -3.043 -0.549 1.00 . A A . 23 ARG HD2 1 1 7 3185 1 1 23 ARG HD3 H 19.694 -4.676 -0.220 1.00 . A A . 23 ARG HD3 1 1 7 3186 1 1 23 ARG HE H 19.926 -3.909 -3.029 1.00 . A A . 23 ARG HE 1 1 7 3187 1 1 23 ARG HG2 H 17.777 -5.534 -1.082 1.00 . A A . 23 ARG HG2 1 1 7 3188 1 1 23 ARG HG3 H 18.200 -4.816 -2.636 1.00 . A A . 23 ARG HG3 1 1 7 3189 1 1 23 ARG HH11 H 21.608 -5.295 -0.586 1.00 . A A . 23 ARG HH11 1 1 7 3190 1 1 23 ARG HH12 H 23.106 -4.470 -0.859 1.00 . A A . 23 ARG HH12 1 1 7 3191 1 1 23 ARG HH21 H 21.753 -2.189 -3.092 1.00 . A A . 23 ARG HH21 1 1 7 3192 1 1 23 ARG HH22 H 23.186 -2.708 -2.270 1.00 . A A . 23 ARG HH22 1 1 7 3193 1 1 23 ARG N N 16.879 -1.267 -0.968 1.00 . A A . 23 ARG N 1 1 7 3194 1 1 23 ARG NE N 20.254 -3.891 -2.105 1.00 . A A . 23 ARG NE 1 1 7 3195 1 1 23 ARG NH1 N 22.129 -4.570 -1.039 1.00 . A A . 23 ARG NH1 1 1 7 3196 1 1 23 ARG NH2 N 22.209 -2.812 -2.456 1.00 . A A . 23 ARG NH2 1 1 7 3197 1 1 23 ARG O O 17.186 -1.796 -4.358 1.00 . A A . 23 ARG O 1 1 7 3198 1 1 24 ASN C C 14.437 -0.132 -4.814 1.00 . A A . 24 ASN C 1 1 7 3199 1 1 24 ASN CA C 14.506 -1.642 -4.564 1.00 . A A . 24 ASN CA 1 1 7 3200 1 1 24 ASN CB C 13.106 -2.204 -4.314 1.00 . A A . 24 ASN CB 1 1 7 3201 1 1 24 ASN CG C 13.060 -3.674 -4.731 1.00 . A A . 24 ASN CG 1 1 7 3202 1 1 24 ASN H H 14.778 -2.067 -2.471 1.00 . A A . 24 ASN H 1 1 7 3203 1 1 24 ASN HA H 14.962 -2.145 -5.401 1.00 . A A . 24 ASN HA 1 1 7 3204 1 1 24 ASN HB2 H 12.869 -2.119 -3.264 1.00 . A A . 24 ASN HB2 1 1 7 3205 1 1 24 ASN HB3 H 12.385 -1.644 -4.892 1.00 . A A . 24 ASN HB3 1 1 7 3206 1 1 24 ASN HD21 H 15.026 -3.924 -4.588 1.00 . A A . 24 ASN HD21 1 1 7 3207 1 1 24 ASN HD22 H 14.152 -5.299 -5.067 1.00 . A A . 24 ASN HD22 1 1 7 3208 1 1 24 ASN N N 15.261 -1.922 -3.309 1.00 . A A . 24 ASN N 1 1 7 3209 1 1 24 ASN ND2 N 14.172 -4.355 -4.802 1.00 . A A . 24 ASN ND2 1 1 7 3210 1 1 24 ASN O O 14.039 0.316 -5.872 1.00 . A A . 24 ASN O 1 1 7 3211 1 1 24 ASN OD1 O 12.003 -4.209 -4.996 1.00 . A A . 24 ASN OD1 1 1 7 3212 1 1 25 LEU C C 13.402 2.560 -4.576 1.00 . A A . 25 LEU C 1 1 7 3213 1 1 25 LEU CA C 14.764 2.138 -4.018 1.00 . A A . 25 LEU CA 1 1 7 3214 1 1 25 LEU CB C 15.880 2.464 -5.013 1.00 . A A . 25 LEU CB 1 1 7 3215 1 1 25 LEU CD1 C 17.258 2.923 -2.974 1.00 . A A . 25 LEU CD1 1 1 7 3216 1 1 25 LEU CD2 C 17.487 0.747 -4.178 1.00 . A A . 25 LEU CD2 1 1 7 3217 1 1 25 LEU CG C 17.242 2.247 -4.347 1.00 . A A . 25 LEU CG 1 1 7 3218 1 1 25 LEU H H 15.127 0.273 -2.998 1.00 . A A . 25 LEU H 1 1 7 3219 1 1 25 LEU HA H 14.953 2.631 -3.078 1.00 . A A . 25 LEU HA 1 1 7 3220 1 1 25 LEU HB2 H 15.794 1.820 -5.876 1.00 . A A . 25 LEU HB2 1 1 7 3221 1 1 25 LEU HB3 H 15.796 3.496 -5.323 1.00 . A A . 25 LEU HB3 1 1 7 3222 1 1 25 LEU HD11 H 16.550 3.739 -2.966 1.00 . A A . 25 LEU HD11 1 1 7 3223 1 1 25 LEU HD12 H 18.248 3.304 -2.771 1.00 . A A . 25 LEU HD12 1 1 7 3224 1 1 25 LEU HD13 H 16.987 2.204 -2.215 1.00 . A A . 25 LEU HD13 1 1 7 3225 1 1 25 LEU HD21 H 17.199 0.445 -3.181 1.00 . A A . 25 LEU HD21 1 1 7 3226 1 1 25 LEU HD22 H 18.536 0.533 -4.329 1.00 . A A . 25 LEU HD22 1 1 7 3227 1 1 25 LEU HD23 H 16.901 0.202 -4.902 1.00 . A A . 25 LEU HD23 1 1 7 3228 1 1 25 LEU HG H 18.017 2.673 -4.967 1.00 . A A . 25 LEU HG 1 1 7 3229 1 1 25 LEU N N 14.814 0.656 -3.844 1.00 . A A . 25 LEU N 1 1 7 3230 1 1 25 LEU O O 13.282 3.551 -5.268 1.00 . A A . 25 LEU O 1 1 7 3231 1 1 26 SER C C 9.970 1.876 -3.692 1.00 . A A . 26 SER C 1 1 7 3232 1 1 26 SER CA C 11.014 2.173 -4.773 1.00 . A A . 26 SER CA 1 1 7 3233 1 1 26 SER CB C 10.800 1.283 -5.999 1.00 . A A . 26 SER CB 1 1 7 3234 1 1 26 SER H H 12.493 1.025 -3.708 1.00 . A A . 26 SER H 1 1 7 3235 1 1 26 SER HA H 10.978 3.212 -5.059 1.00 . A A . 26 SER HA 1 1 7 3236 1 1 26 SER HB2 H 9.791 0.906 -6.004 1.00 . A A . 26 SER HB2 1 1 7 3237 1 1 26 SER HB3 H 10.968 1.863 -6.897 1.00 . A A . 26 SER HB3 1 1 7 3238 1 1 26 SER HG H 12.556 0.493 -6.281 1.00 . A A . 26 SER HG 1 1 7 3239 1 1 26 SER N N 12.373 1.817 -4.272 1.00 . A A . 26 SER N 1 1 7 3240 1 1 26 SER O O 10.282 1.814 -2.520 1.00 . A A . 26 SER O 1 1 7 3241 1 1 26 SER OG O 11.707 0.190 -5.950 1.00 . A A . 26 SER OG 1 1 7 3242 1 1 27 LEU C C 6.887 0.167 -3.454 1.00 . A A . 27 LEU C 1 1 7 3243 1 1 27 LEU CA C 7.689 1.406 -3.050 1.00 . A A . 27 LEU CA 1 1 7 3244 1 1 27 LEU CB C 6.799 2.648 -3.029 1.00 . A A . 27 LEU CB 1 1 7 3245 1 1 27 LEU CD1 C 8.395 3.532 -1.324 1.00 . A A . 27 LEU CD1 1 1 7 3246 1 1 27 LEU CD2 C 6.219 4.694 -1.717 1.00 . A A . 27 LEU CD2 1 1 7 3247 1 1 27 LEU CG C 6.917 3.334 -1.667 1.00 . A A . 27 LEU CG 1 1 7 3248 1 1 27 LEU H H 8.494 1.753 -5.016 1.00 . A A . 27 LEU H 1 1 7 3249 1 1 27 LEU HA H 8.140 1.259 -2.080 1.00 . A A . 27 LEU HA 1 1 7 3250 1 1 27 LEU HB2 H 7.118 3.329 -3.805 1.00 . A A . 27 LEU HB2 1 1 7 3251 1 1 27 LEU HB3 H 5.773 2.361 -3.199 1.00 . A A . 27 LEU HB3 1 1 7 3252 1 1 27 LEU HD11 H 8.718 2.746 -0.657 1.00 . A A . 27 LEU HD11 1 1 7 3253 1 1 27 LEU HD12 H 8.527 4.490 -0.842 1.00 . A A . 27 LEU HD12 1 1 7 3254 1 1 27 LEU HD13 H 8.982 3.500 -2.229 1.00 . A A . 27 LEU HD13 1 1 7 3255 1 1 27 LEU HD21 H 6.907 5.465 -1.405 1.00 . A A . 27 LEU HD21 1 1 7 3256 1 1 27 LEU HD22 H 5.365 4.684 -1.056 1.00 . A A . 27 LEU HD22 1 1 7 3257 1 1 27 LEU HD23 H 5.889 4.893 -2.727 1.00 . A A . 27 LEU HD23 1 1 7 3258 1 1 27 LEU HG H 6.454 2.715 -0.911 1.00 . A A . 27 LEU HG 1 1 7 3259 1 1 27 LEU N N 8.735 1.697 -4.069 1.00 . A A . 27 LEU N 1 1 7 3260 1 1 27 LEU O O 6.980 -0.868 -2.828 1.00 . A A . 27 LEU O 1 1 7 3261 1 1 28 VAL C C 4.415 -1.401 -3.776 1.00 . A A . 28 VAL C 1 1 7 3262 1 1 28 VAL CA C 5.304 -0.919 -4.929 1.00 . A A . 28 VAL CA 1 1 7 3263 1 1 28 VAL CB C 6.342 -1.983 -5.295 1.00 . A A . 28 VAL CB 1 1 7 3264 1 1 28 VAL CG1 C 5.677 -3.360 -5.331 1.00 . A A . 28 VAL CG1 1 1 7 3265 1 1 28 VAL CG2 C 6.933 -1.666 -6.673 1.00 . A A . 28 VAL CG2 1 1 7 3266 1 1 28 VAL H H 6.044 1.104 -4.990 1.00 . A A . 28 VAL H 1 1 7 3267 1 1 28 VAL HA H 4.706 -0.675 -5.793 1.00 . A A . 28 VAL HA 1 1 7 3268 1 1 28 VAL HB H 7.129 -1.983 -4.555 1.00 . A A . 28 VAL HB 1 1 7 3269 1 1 28 VAL HG11 H 6.030 -3.908 -6.192 1.00 . A A . 28 VAL HG11 1 1 7 3270 1 1 28 VAL HG12 H 4.606 -3.241 -5.393 1.00 . A A . 28 VAL HG12 1 1 7 3271 1 1 28 VAL HG13 H 5.927 -3.904 -4.432 1.00 . A A . 28 VAL HG13 1 1 7 3272 1 1 28 VAL HG21 H 7.925 -2.089 -6.744 1.00 . A A . 28 VAL HG21 1 1 7 3273 1 1 28 VAL HG22 H 6.988 -0.596 -6.805 1.00 . A A . 28 VAL HG22 1 1 7 3274 1 1 28 VAL HG23 H 6.305 -2.093 -7.441 1.00 . A A . 28 VAL HG23 1 1 7 3275 1 1 28 VAL N N 6.105 0.261 -4.495 1.00 . A A . 28 VAL N 1 1 7 3276 1 1 28 VAL O O 4.895 -1.898 -2.777 1.00 . A A . 28 VAL O 1 1 7 3277 1 1 29 TRP C C 1.281 -2.804 -3.292 1.00 . A A . 29 TRP C 1 1 7 3278 1 1 29 TRP CA C 2.217 -1.697 -2.802 1.00 . A A . 29 TRP CA 1 1 7 3279 1 1 29 TRP CB C 1.413 -0.451 -2.425 1.00 . A A . 29 TRP CB 1 1 7 3280 1 1 29 TRP CD1 C 3.302 1.183 -2.055 1.00 . A A . 29 TRP CD1 1 1 7 3281 1 1 29 TRP CD2 C 2.148 0.759 -0.172 1.00 . A A . 29 TRP CD2 1 1 7 3282 1 1 29 TRP CE2 C 3.165 1.680 0.174 1.00 . A A . 29 TRP CE2 1 1 7 3283 1 1 29 TRP CE3 C 1.274 0.325 0.843 1.00 . A A . 29 TRP CE3 1 1 7 3284 1 1 29 TRP CG C 2.258 0.460 -1.594 1.00 . A A . 29 TRP CG 1 1 7 3285 1 1 29 TRP CH2 C 2.435 1.714 2.474 1.00 . A A . 29 TRP CH2 1 1 7 3286 1 1 29 TRP CZ2 C 3.310 2.155 1.478 1.00 . A A . 29 TRP CZ2 1 1 7 3287 1 1 29 TRP CZ3 C 1.418 0.801 2.157 1.00 . A A . 29 TRP CZ3 1 1 7 3288 1 1 29 TRP H H 2.753 -0.845 -4.711 1.00 . A A . 29 TRP H 1 1 7 3289 1 1 29 TRP HA H 2.790 -2.035 -1.954 1.00 . A A . 29 TRP HA 1 1 7 3290 1 1 29 TRP HB2 H 1.108 0.063 -3.324 1.00 . A A . 29 TRP HB2 1 1 7 3291 1 1 29 TRP HB3 H 0.540 -0.743 -1.863 1.00 . A A . 29 TRP HB3 1 1 7 3292 1 1 29 TRP HD1 H 3.656 1.195 -3.075 1.00 . A A . 29 TRP HD1 1 1 7 3293 1 1 29 TRP HE1 H 4.608 2.515 -1.077 1.00 . A A . 29 TRP HE1 1 1 7 3294 1 1 29 TRP HE3 H 0.490 -0.378 0.608 1.00 . A A . 29 TRP HE3 1 1 7 3295 1 1 29 TRP HH2 H 2.539 2.075 3.485 1.00 . A A . 29 TRP HH2 1 1 7 3296 1 1 29 TRP HZ2 H 4.095 2.856 1.717 1.00 . A A . 29 TRP HZ2 1 1 7 3297 1 1 29 TRP HZ3 H 0.741 0.462 2.927 1.00 . A A . 29 TRP HZ3 1 1 7 3298 1 1 29 TRP N N 3.125 -1.252 -3.900 1.00 . A A . 29 TRP N 1 1 7 3299 1 1 29 TRP NE1 N 3.841 1.909 -1.008 1.00 . A A . 29 TRP NE1 1 1 7 3300 1 1 29 TRP O O 1.324 -3.207 -4.437 1.00 . A A . 29 TRP O 1 1 7 3301 1 1 30 GLY C C -1.849 -4.194 -2.129 1.00 . A A . 30 GLY C 1 1 7 3302 1 1 30 GLY CA C -0.507 -4.378 -2.842 1.00 . A A . 30 GLY CA 1 1 7 3303 1 1 30 GLY H H 0.418 -2.955 -1.508 1.00 . A A . 30 GLY H 1 1 7 3304 1 1 30 GLY HA2 H -0.658 -4.332 -3.911 1.00 . A A . 30 GLY HA2 1 1 7 3305 1 1 30 GLY HA3 H -0.092 -5.339 -2.578 1.00 . A A . 30 GLY HA3 1 1 7 3306 1 1 30 GLY N N 0.434 -3.297 -2.428 1.00 . A A . 30 GLY N 1 1 7 3307 1 1 30 GLY O O -1.919 -3.656 -1.043 1.00 . A A . 30 GLY O 1 1 7 3308 1 1 31 CYS C C -4.912 -5.864 -1.916 1.00 . A A . 31 CYS C 1 1 7 3309 1 1 31 CYS CA C -4.252 -4.492 -2.078 1.00 . A A . 31 CYS CA 1 1 7 3310 1 1 31 CYS CB C -5.064 -3.607 -3.027 1.00 . A A . 31 CYS CB 1 1 7 3311 1 1 31 CYS H H -2.846 -5.074 -3.605 1.00 . A A . 31 CYS H 1 1 7 3312 1 1 31 CYS HA H -4.151 -4.008 -1.120 1.00 . A A . 31 CYS HA 1 1 7 3313 1 1 31 CYS HB2 H -4.458 -2.772 -3.345 1.00 . A A . 31 CYS HB2 1 1 7 3314 1 1 31 CYS HB3 H -5.367 -4.183 -3.888 1.00 . A A . 31 CYS HB3 1 1 7 3315 1 1 31 CYS N N -2.919 -4.641 -2.729 1.00 . A A . 31 CYS N 1 1 7 3316 1 1 31 CYS O O -5.204 -6.542 -2.881 1.00 . A A . 31 CYS O 1 1 7 3317 1 1 31 CYS SG S -6.534 -2.990 -2.166 1.00 . A A . 31 CYS SG 1 1 7 3318 1 1 32 SER C C -7.244 -7.434 -0.049 1.00 . A A . 32 SER C 1 1 7 3319 1 1 32 SER CA C -5.783 -7.607 -0.477 1.00 . A A . 32 SER CA 1 1 7 3320 1 1 32 SER CB C -4.969 -8.248 0.646 1.00 . A A . 32 SER CB 1 1 7 3321 1 1 32 SER H H -4.902 -5.717 0.064 1.00 . A A . 32 SER H 1 1 7 3322 1 1 32 SER HA H -5.719 -8.210 -1.368 1.00 . A A . 32 SER HA 1 1 7 3323 1 1 32 SER HB2 H -4.461 -7.482 1.208 1.00 . A A . 32 SER HB2 1 1 7 3324 1 1 32 SER HB3 H -5.633 -8.792 1.304 1.00 . A A . 32 SER HB3 1 1 7 3325 1 1 32 SER HG H -3.146 -8.713 0.149 1.00 . A A . 32 SER HG 1 1 7 3326 1 1 32 SER N N -5.148 -6.277 -0.701 1.00 . A A . 32 SER N 1 1 7 3327 1 1 32 SER O O -7.520 -6.991 1.049 1.00 . A A . 32 SER O 1 1 7 3328 1 1 32 SER OG O -4.007 -9.133 0.084 1.00 . A A . 32 SER OG 1 1 7 3329 1 1 33 PRO C C -10.013 -8.764 0.344 1.00 . A A . 33 PRO C 1 1 7 3330 1 1 33 PRO CA C -9.581 -7.680 -0.649 1.00 . A A . 33 PRO CA 1 1 7 3331 1 1 33 PRO CB C -10.233 -7.896 -2.011 1.00 . A A . 33 PRO CB 1 1 7 3332 1 1 33 PRO CD C -7.872 -8.334 -2.273 1.00 . A A . 33 PRO CD 1 1 7 3333 1 1 33 PRO CG C -9.240 -8.692 -2.796 1.00 . A A . 33 PRO CG 1 1 7 3334 1 1 33 PRO HA H -9.821 -6.698 -0.273 1.00 . A A . 33 PRO HA 1 1 7 3335 1 1 33 PRO HB2 H -11.158 -8.447 -1.900 1.00 . A A . 33 PRO HB2 1 1 7 3336 1 1 33 PRO HB3 H -10.413 -6.950 -2.496 1.00 . A A . 33 PRO HB3 1 1 7 3337 1 1 33 PRO HD2 H -7.247 -9.216 -2.215 1.00 . A A . 33 PRO HD2 1 1 7 3338 1 1 33 PRO HD3 H -7.412 -7.582 -2.894 1.00 . A A . 33 PRO HD3 1 1 7 3339 1 1 33 PRO HG2 H -9.425 -9.749 -2.660 1.00 . A A . 33 PRO HG2 1 1 7 3340 1 1 33 PRO HG3 H -9.306 -8.437 -3.842 1.00 . A A . 33 PRO HG3 1 1 7 3341 1 1 33 PRO N N -8.131 -7.793 -0.935 1.00 . A A . 33 PRO N 1 1 7 3342 1 1 33 PRO O O -9.374 -9.789 0.473 1.00 . A A . 33 PRO O 1 1 7 3343 1 1 34 VAL C C -12.338 -10.668 1.311 1.00 . A A . 34 VAL C 1 1 7 3344 1 1 34 VAL CA C -11.560 -9.562 2.029 1.00 . A A . 34 VAL CA 1 1 7 3345 1 1 34 VAL CB C -12.473 -8.798 2.986 1.00 . A A . 34 VAL CB 1 1 7 3346 1 1 34 VAL CG1 C -12.999 -9.751 4.063 1.00 . A A . 34 VAL CG1 1 1 7 3347 1 1 34 VAL CG2 C -11.681 -7.668 3.649 1.00 . A A . 34 VAL CG2 1 1 7 3348 1 1 34 VAL H H -11.591 -7.710 0.927 1.00 . A A . 34 VAL H 1 1 7 3349 1 1 34 VAL HA H -10.725 -9.978 2.569 1.00 . A A . 34 VAL HA 1 1 7 3350 1 1 34 VAL HB H -13.305 -8.382 2.435 1.00 . A A . 34 VAL HB 1 1 7 3351 1 1 34 VAL HG11 H -12.946 -9.270 5.029 1.00 . A A . 34 VAL HG11 1 1 7 3352 1 1 34 VAL HG12 H -12.399 -10.648 4.074 1.00 . A A . 34 VAL HG12 1 1 7 3353 1 1 34 VAL HG13 H -14.026 -10.008 3.846 1.00 . A A . 34 VAL HG13 1 1 7 3354 1 1 34 VAL HG21 H -10.762 -7.508 3.105 1.00 . A A . 34 VAL HG21 1 1 7 3355 1 1 34 VAL HG22 H -11.453 -7.937 4.669 1.00 . A A . 34 VAL HG22 1 1 7 3356 1 1 34 VAL HG23 H -12.269 -6.761 3.637 1.00 . A A . 34 VAL HG23 1 1 7 3357 1 1 34 VAL N N -11.090 -8.543 1.046 1.00 . A A . 34 VAL N 1 1 7 3358 1 1 34 VAL O O -12.488 -11.762 1.816 1.00 . A A . 34 VAL O 1 1 7 3359 1 1 35 GLU C C -13.410 -11.240 -2.124 1.00 . A A . 35 GLU C 1 1 7 3360 1 1 35 GLU CA C -13.599 -11.428 -0.617 1.00 . A A . 35 GLU CA 1 1 7 3361 1 1 35 GLU CB C -15.061 -11.201 -0.228 1.00 . A A . 35 GLU CB 1 1 7 3362 1 1 35 GLU CD C -15.905 -9.843 -2.149 1.00 . A A . 35 GLU CD 1 1 7 3363 1 1 35 GLU CG C -15.500 -9.806 -0.674 1.00 . A A . 35 GLU CG 1 1 7 3364 1 1 35 GLU H H -12.697 -9.502 -0.256 1.00 . A A . 35 GLU H 1 1 7 3365 1 1 35 GLU HA H -13.287 -12.416 -0.318 1.00 . A A . 35 GLU HA 1 1 7 3366 1 1 35 GLU HB2 H -15.680 -11.946 -0.709 1.00 . A A . 35 GLU HB2 1 1 7 3367 1 1 35 GLU HB3 H -15.166 -11.283 0.844 1.00 . A A . 35 GLU HB3 1 1 7 3368 1 1 35 GLU HG2 H -16.341 -9.484 -0.077 1.00 . A A . 35 GLU HG2 1 1 7 3369 1 1 35 GLU HG3 H -14.682 -9.112 -0.545 1.00 . A A . 35 GLU HG3 1 1 7 3370 1 1 35 GLU N N -12.832 -10.390 0.134 1.00 . A A . 35 GLU N 1 1 7 3371 1 1 35 GLU O O -12.616 -10.393 -2.502 1.00 . A A . 35 GLU O 1 1 7 3372 1 1 35 GLU OXT O -14.064 -11.944 -2.876 1.00 . A A . 35 GLU OXT 1 1 7 3373 1 1 35 GLU OE1 O -16.542 -10.806 -2.545 1.00 . A A . 35 GLU OE1 1 1 7 3374 1 1 35 GLU OE2 O -15.572 -8.908 -2.858 1.00 . A A . 35 GLU OE2 1 1 8 3375 1 1 1 ASP C C -9.796 5.206 1.774 1.00 . A A . 1 ASP C 1 1 8 3376 1 1 1 ASP CA C -11.017 5.217 0.850 1.00 . A A . 1 ASP CA 1 1 8 3377 1 1 1 ASP CB C -11.163 6.579 0.168 1.00 . A A . 1 ASP CB 1 1 8 3378 1 1 1 ASP CG C -12.059 6.441 -1.063 1.00 . A A . 1 ASP CG 1 1 8 3379 1 1 1 ASP H1 H -12.212 5.637 2.504 1.00 . A A . 1 ASP H1 1 1 8 3380 1 1 1 ASP H2 H -12.379 4.052 1.914 1.00 . A A . 1 ASP H2 1 1 8 3381 1 1 1 ASP H3 H -13.085 5.353 1.079 1.00 . A A . 1 ASP H3 1 1 8 3382 1 1 1 ASP HA H -10.938 4.439 0.108 1.00 . A A . 1 ASP HA 1 1 8 3383 1 1 1 ASP HB2 H -11.604 7.282 0.860 1.00 . A A . 1 ASP HB2 1 1 8 3384 1 1 1 ASP HB3 H -10.189 6.934 -0.135 1.00 . A A . 1 ASP HB3 1 1 8 3385 1 1 1 ASP N N -12.268 5.052 1.646 1.00 . A A . 1 ASP N 1 1 8 3386 1 1 1 ASP O O -9.695 5.995 2.692 1.00 . A A . 1 ASP O 1 1 8 3387 1 1 1 ASP OD1 O -12.665 5.394 -1.217 1.00 . A A . 1 ASP OD1 1 1 8 3388 1 1 1 ASP OD2 O -12.124 7.386 -1.834 1.00 . A A . 1 ASP OD2 1 1 8 3389 1 1 2 HIS C C -6.508 5.055 1.778 1.00 . A A . 2 HIS C 1 1 8 3390 1 1 2 HIS CA C -7.656 4.260 2.410 1.00 . A A . 2 HIS CA 1 1 8 3391 1 1 2 HIS CB C -7.293 2.777 2.497 1.00 . A A . 2 HIS CB 1 1 8 3392 1 1 2 HIS CD2 C -8.492 0.833 3.799 1.00 . A A . 2 HIS CD2 1 1 8 3393 1 1 2 HIS CE1 C -9.128 1.955 5.539 1.00 . A A . 2 HIS CE1 1 1 8 3394 1 1 2 HIS CG C -8.062 2.124 3.617 1.00 . A A . 2 HIS CG 1 1 8 3395 1 1 2 HIS H H -8.969 3.687 0.794 1.00 . A A . 2 HIS H 1 1 8 3396 1 1 2 HIS HA H -7.880 4.645 3.390 1.00 . A A . 2 HIS HA 1 1 8 3397 1 1 2 HIS HB2 H -7.537 2.293 1.564 1.00 . A A . 2 HIS HB2 1 1 8 3398 1 1 2 HIS HB3 H -6.234 2.678 2.685 1.00 . A A . 2 HIS HB3 1 1 8 3399 1 1 2 HIS HD1 H -8.325 3.772 4.927 1.00 . A A . 2 HIS HD1 1 1 8 3400 1 1 2 HIS HD2 H -8.330 0.021 3.106 1.00 . A A . 2 HIS HD2 1 1 8 3401 1 1 2 HIS HE1 H -9.567 2.220 6.491 1.00 . A A . 2 HIS HE1 1 1 8 3402 1 1 2 HIS N N -8.869 4.318 1.540 1.00 . A A . 2 HIS N 1 1 8 3403 1 1 2 HIS ND1 N -8.479 2.823 4.742 1.00 . A A . 2 HIS ND1 1 1 8 3404 1 1 2 HIS NE2 N -9.166 0.730 5.013 1.00 . A A . 2 HIS NE2 1 1 8 3405 1 1 2 HIS O O -6.709 5.856 0.887 1.00 . A A . 2 HIS O 1 1 8 3406 1 1 3 VAL C C -2.835 4.830 1.948 1.00 . A A . 3 VAL C 1 1 8 3407 1 1 3 VAL CA C -4.140 5.579 1.660 1.00 . A A . 3 VAL CA 1 1 8 3408 1 1 3 VAL CB C -4.149 6.936 2.367 1.00 . A A . 3 VAL CB 1 1 8 3409 1 1 3 VAL CG1 C -4.214 6.728 3.881 1.00 . A A . 3 VAL CG1 1 1 8 3410 1 1 3 VAL CG2 C -2.873 7.703 2.016 1.00 . A A . 3 VAL CG2 1 1 8 3411 1 1 3 VAL H H -5.160 4.187 2.954 1.00 . A A . 3 VAL H 1 1 8 3412 1 1 3 VAL HA H -4.270 5.717 0.599 1.00 . A A . 3 VAL HA 1 1 8 3413 1 1 3 VAL HB H -5.012 7.502 2.046 1.00 . A A . 3 VAL HB 1 1 8 3414 1 1 3 VAL HG11 H -5.153 7.105 4.256 1.00 . A A . 3 VAL HG11 1 1 8 3415 1 1 3 VAL HG12 H -3.398 7.256 4.353 1.00 . A A . 3 VAL HG12 1 1 8 3416 1 1 3 VAL HG13 H -4.135 5.674 4.104 1.00 . A A . 3 VAL HG13 1 1 8 3417 1 1 3 VAL HG21 H -2.963 8.116 1.022 1.00 . A A . 3 VAL HG21 1 1 8 3418 1 1 3 VAL HG22 H -2.027 7.031 2.051 1.00 . A A . 3 VAL HG22 1 1 8 3419 1 1 3 VAL HG23 H -2.726 8.504 2.725 1.00 . A A . 3 VAL HG23 1 1 8 3420 1 1 3 VAL N N -5.302 4.838 2.234 1.00 . A A . 3 VAL N 1 1 8 3421 1 1 3 VAL O O -2.462 4.627 3.087 1.00 . A A . 3 VAL O 1 1 8 3422 1 1 4 CYS C C 0.330 4.603 0.814 1.00 . A A . 4 CYS C 1 1 8 3423 1 1 4 CYS CA C -0.855 3.688 1.134 1.00 . A A . 4 CYS CA 1 1 8 3424 1 1 4 CYS CB C -0.900 2.512 0.158 1.00 . A A . 4 CYS CB 1 1 8 3425 1 1 4 CYS H H -2.455 4.596 0.013 1.00 . A A . 4 CYS H 1 1 8 3426 1 1 4 CYS HA H -0.790 3.325 2.147 1.00 . A A . 4 CYS HA 1 1 8 3427 1 1 4 CYS HB2 H -0.764 2.876 -0.850 1.00 . A A . 4 CYS HB2 1 1 8 3428 1 1 4 CYS HB3 H -0.110 1.815 0.398 1.00 . A A . 4 CYS HB3 1 1 8 3429 1 1 4 CYS N N -2.137 4.421 0.923 1.00 . A A . 4 CYS N 1 1 8 3430 1 1 4 CYS O O 0.688 4.793 -0.331 1.00 . A A . 4 CYS O 1 1 8 3431 1 1 4 CYS SG S -2.500 1.673 0.283 1.00 . A A . 4 CYS SG 1 1 8 3432 1 1 5 ASP C C 1.639 7.380 0.921 1.00 . A A . 5 ASP C 1 1 8 3433 1 1 5 ASP CA C 2.103 6.080 1.580 1.00 . A A . 5 ASP CA 1 1 8 3434 1 1 5 ASP CB C 3.031 5.306 0.645 1.00 . A A . 5 ASP CB 1 1 8 3435 1 1 5 ASP CG C 4.459 5.839 0.788 1.00 . A A . 5 ASP CG 1 1 8 3436 1 1 5 ASP H H 0.633 5.006 2.734 1.00 . A A . 5 ASP H 1 1 8 3437 1 1 5 ASP HA H 2.611 6.291 2.508 1.00 . A A . 5 ASP HA 1 1 8 3438 1 1 5 ASP HB2 H 3.008 4.263 0.907 1.00 . A A . 5 ASP HB2 1 1 8 3439 1 1 5 ASP HB3 H 2.702 5.431 -0.375 1.00 . A A . 5 ASP HB3 1 1 8 3440 1 1 5 ASP N N 0.940 5.173 1.819 1.00 . A A . 5 ASP N 1 1 8 3441 1 1 5 ASP O O 2.432 8.133 0.391 1.00 . A A . 5 ASP O 1 1 8 3442 1 1 5 ASP OD1 O 4.693 6.613 1.701 1.00 . A A . 5 ASP OD1 1 1 8 3443 1 1 5 ASP OD2 O 5.293 5.463 -0.019 1.00 . A A . 5 ASP OD2 1 1 8 3444 1 1 6 ASP C C -0.134 8.831 -1.189 1.00 . A A . 6 ASP C 1 1 8 3445 1 1 6 ASP CA C -0.163 8.912 0.343 1.00 . A A . 6 ASP CA 1 1 8 3446 1 1 6 ASP CB C 0.764 10.022 0.843 1.00 . A A . 6 ASP CB 1 1 8 3447 1 1 6 ASP CG C -0.019 11.330 0.949 1.00 . A A . 6 ASP CG 1 1 8 3448 1 1 6 ASP H H -0.256 7.031 1.397 1.00 . A A . 6 ASP H 1 1 8 3449 1 1 6 ASP HA H -1.169 9.098 0.686 1.00 . A A . 6 ASP HA 1 1 8 3450 1 1 6 ASP HB2 H 1.155 9.754 1.814 1.00 . A A . 6 ASP HB2 1 1 8 3451 1 1 6 ASP HB3 H 1.581 10.148 0.148 1.00 . A A . 6 ASP HB3 1 1 8 3452 1 1 6 ASP N N 0.361 7.652 0.957 1.00 . A A . 6 ASP N 1 1 8 3453 1 1 6 ASP O O -1.118 9.104 -1.846 1.00 . A A . 6 ASP O 1 1 8 3454 1 1 6 ASP OD1 O -1.062 11.323 1.580 1.00 . A A . 6 ASP OD1 1 1 8 3455 1 1 6 ASP OD2 O 0.437 12.317 0.395 1.00 . A A . 6 ASP OD2 1 1 8 3456 1 1 7 ASN C C 0.278 7.163 -3.766 1.00 . A A . 7 ASN C 1 1 8 3457 1 1 7 ASN CA C 1.052 8.385 -3.255 1.00 . A A . 7 ASN CA 1 1 8 3458 1 1 7 ASN CB C 2.543 8.253 -3.576 1.00 . A A . 7 ASN CB 1 1 8 3459 1 1 7 ASN CG C 3.018 6.834 -3.260 1.00 . A A . 7 ASN CG 1 1 8 3460 1 1 7 ASN H H 1.768 8.256 -1.225 1.00 . A A . 7 ASN H 1 1 8 3461 1 1 7 ASN HA H 0.661 9.286 -3.699 1.00 . A A . 7 ASN HA 1 1 8 3462 1 1 7 ASN HB2 H 2.703 8.461 -4.624 1.00 . A A . 7 ASN HB2 1 1 8 3463 1 1 7 ASN HB3 H 3.102 8.959 -2.980 1.00 . A A . 7 ASN HB3 1 1 8 3464 1 1 7 ASN HD21 H 3.048 6.268 -5.162 1.00 . A A . 7 ASN HD21 1 1 8 3465 1 1 7 ASN HD22 H 3.513 5.078 -4.045 1.00 . A A . 7 ASN HD22 1 1 8 3466 1 1 7 ASN N N 0.979 8.468 -1.766 1.00 . A A . 7 ASN N 1 1 8 3467 1 1 7 ASN ND2 N 3.209 5.990 -4.236 1.00 . A A . 7 ASN ND2 1 1 8 3468 1 1 7 ASN O O 0.797 6.357 -4.512 1.00 . A A . 7 ASN O 1 1 8 3469 1 1 7 ASN OD1 O 3.222 6.489 -2.113 1.00 . A A . 7 ASN OD1 1 1 8 3470 1 1 8 PHE C C -3.169 5.922 -3.218 1.00 . A A . 8 PHE C 1 1 8 3471 1 1 8 PHE CA C -1.771 5.864 -3.838 1.00 . A A . 8 PHE CA 1 1 8 3472 1 1 8 PHE CB C -1.022 4.623 -3.349 1.00 . A A . 8 PHE CB 1 1 8 3473 1 1 8 PHE CD1 C -1.222 3.679 -5.676 1.00 . A A . 8 PHE CD1 1 1 8 3474 1 1 8 PHE CD2 C -1.611 2.213 -3.784 1.00 . A A . 8 PHE CD2 1 1 8 3475 1 1 8 PHE CE1 C -1.475 2.617 -6.552 1.00 . A A . 8 PHE CE1 1 1 8 3476 1 1 8 PHE CE2 C -1.863 1.151 -4.660 1.00 . A A . 8 PHE CE2 1 1 8 3477 1 1 8 PHE CG C -1.290 3.477 -4.292 1.00 . A A . 8 PHE CG 1 1 8 3478 1 1 8 PHE CZ C -1.795 1.353 -6.044 1.00 . A A . 8 PHE CZ 1 1 8 3479 1 1 8 PHE H H -1.363 7.689 -2.779 1.00 . A A . 8 PHE H 1 1 8 3480 1 1 8 PHE HA H -1.837 5.854 -4.915 1.00 . A A . 8 PHE HA 1 1 8 3481 1 1 8 PHE HB2 H 0.038 4.828 -3.319 1.00 . A A . 8 PHE HB2 1 1 8 3482 1 1 8 PHE HB3 H -1.366 4.363 -2.360 1.00 . A A . 8 PHE HB3 1 1 8 3483 1 1 8 PHE HD1 H -0.974 4.655 -6.067 1.00 . A A . 8 PHE HD1 1 1 8 3484 1 1 8 PHE HD2 H -1.664 2.057 -2.716 1.00 . A A . 8 PHE HD2 1 1 8 3485 1 1 8 PHE HE1 H -1.423 2.772 -7.619 1.00 . A A . 8 PHE HE1 1 1 8 3486 1 1 8 PHE HE2 H -2.110 0.175 -4.269 1.00 . A A . 8 PHE HE2 1 1 8 3487 1 1 8 PHE HZ H -1.990 0.533 -6.719 1.00 . A A . 8 PHE HZ 1 1 8 3488 1 1 8 PHE N N -0.961 7.025 -3.374 1.00 . A A . 8 PHE N 1 1 8 3489 1 1 8 PHE O O -3.541 6.898 -2.596 1.00 . A A . 8 PHE O 1 1 8 3490 1 1 9 SER C C -5.923 3.491 -2.846 1.00 . A A . 9 SER C 1 1 8 3491 1 1 9 SER CA C -5.319 4.896 -2.797 1.00 . A A . 9 SER CA 1 1 8 3492 1 1 9 SER CB C -6.119 5.856 -3.675 1.00 . A A . 9 SER CB 1 1 8 3493 1 1 9 SER H H -3.632 4.110 -3.884 1.00 . A A . 9 SER H 1 1 8 3494 1 1 9 SER HA H -5.293 5.259 -1.781 1.00 . A A . 9 SER HA 1 1 8 3495 1 1 9 SER HB2 H -6.878 6.340 -3.083 1.00 . A A . 9 SER HB2 1 1 8 3496 1 1 9 SER HB3 H -5.455 6.603 -4.088 1.00 . A A . 9 SER HB3 1 1 8 3497 1 1 9 SER HG H -6.052 4.793 -5.304 1.00 . A A . 9 SER HG 1 1 8 3498 1 1 9 SER N N -3.947 4.889 -3.381 1.00 . A A . 9 SER N 1 1 8 3499 1 1 9 SER O O -5.543 2.667 -3.654 1.00 . A A . 9 SER O 1 1 8 3500 1 1 9 SER OG O -6.741 5.124 -4.724 1.00 . A A . 9 SER OG 1 1 8 3501 1 1 10 CYS C C -8.802 1.916 -1.170 1.00 . A A . 10 CYS C 1 1 8 3502 1 1 10 CYS CA C -7.501 1.868 -1.975 1.00 . A A . 10 CYS CA 1 1 8 3503 1 1 10 CYS CB C -6.481 0.953 -1.296 1.00 . A A . 10 CYS CB 1 1 8 3504 1 1 10 CYS H H -7.154 3.897 -1.344 1.00 . A A . 10 CYS H 1 1 8 3505 1 1 10 CYS HA H -7.690 1.530 -2.982 1.00 . A A . 10 CYS HA 1 1 8 3506 1 1 10 CYS HB2 H -5.815 1.545 -0.686 1.00 . A A . 10 CYS HB2 1 1 8 3507 1 1 10 CYS HB3 H -6.997 0.236 -0.675 1.00 . A A . 10 CYS HB3 1 1 8 3508 1 1 10 CYS N N -6.864 3.215 -1.985 1.00 . A A . 10 CYS N 1 1 8 3509 1 1 10 CYS O O -8.897 2.627 -0.191 1.00 . A A . 10 CYS O 1 1 8 3510 1 1 10 CYS SG S -5.521 0.076 -2.557 1.00 . A A . 10 CYS SG 1 1 8 3511 1 1 11 PRO C C -10.965 0.371 0.411 1.00 . A A . 11 PRO C 1 1 8 3512 1 1 11 PRO CA C -11.079 1.114 -0.924 1.00 . A A . 11 PRO CA 1 1 8 3513 1 1 11 PRO CB C -11.969 0.350 -1.898 1.00 . A A . 11 PRO CB 1 1 8 3514 1 1 11 PRO CD C -9.726 0.272 -2.782 1.00 . A A . 11 PRO CD 1 1 8 3515 1 1 11 PRO CG C -11.028 -0.483 -2.709 1.00 . A A . 11 PRO CG 1 1 8 3516 1 1 11 PRO HA H -11.463 2.110 -0.774 1.00 . A A . 11 PRO HA 1 1 8 3517 1 1 11 PRO HB2 H -12.662 -0.278 -1.355 1.00 . A A . 11 PRO HB2 1 1 8 3518 1 1 11 PRO HB3 H -12.500 1.036 -2.536 1.00 . A A . 11 PRO HB3 1 1 8 3519 1 1 11 PRO HD2 H -8.890 -0.411 -2.718 1.00 . A A . 11 PRO HD2 1 1 8 3520 1 1 11 PRO HD3 H -9.676 0.855 -3.688 1.00 . A A . 11 PRO HD3 1 1 8 3521 1 1 11 PRO HG2 H -10.876 -1.441 -2.229 1.00 . A A . 11 PRO HG2 1 1 8 3522 1 1 11 PRO HG3 H -11.422 -0.625 -3.703 1.00 . A A . 11 PRO HG3 1 1 8 3523 1 1 11 PRO N N -9.764 1.155 -1.612 1.00 . A A . 11 PRO N 1 1 8 3524 1 1 11 PRO O O -9.990 -0.301 0.680 1.00 . A A . 11 PRO O 1 1 8 3525 1 1 12 ALA C C -12.000 -1.722 2.369 1.00 . A A . 12 ALA C 1 1 8 3526 1 1 12 ALA CA C -11.915 -0.206 2.566 1.00 . A A . 12 ALA CA 1 1 8 3527 1 1 12 ALA CB C -13.137 0.309 3.328 1.00 . A A . 12 ALA CB 1 1 8 3528 1 1 12 ALA H H -12.736 1.038 1.012 1.00 . A A . 12 ALA H 1 1 8 3529 1 1 12 ALA HA H -11.013 0.054 3.099 1.00 . A A . 12 ALA HA 1 1 8 3530 1 1 12 ALA HB1 H -12.815 0.950 4.135 1.00 . A A . 12 ALA HB1 1 1 8 3531 1 1 12 ALA HB2 H -13.688 -0.528 3.731 1.00 . A A . 12 ALA HB2 1 1 8 3532 1 1 12 ALA HB3 H -13.771 0.868 2.655 1.00 . A A . 12 ALA HB3 1 1 8 3533 1 1 12 ALA N N -11.960 0.490 1.249 1.00 . A A . 12 ALA N 1 1 8 3534 1 1 12 ALA O O -11.687 -2.491 3.256 1.00 . A A . 12 ALA O 1 1 8 3535 1 1 13 GLY C C -11.116 -4.219 0.870 1.00 . A A . 13 GLY C 1 1 8 3536 1 1 13 GLY CA C -12.521 -3.625 0.964 1.00 . A A . 13 GLY CA 1 1 8 3537 1 1 13 GLY H H -12.667 -1.525 0.509 1.00 . A A . 13 GLY H 1 1 8 3538 1 1 13 GLY HA2 H -13.058 -4.093 1.777 1.00 . A A . 13 GLY HA2 1 1 8 3539 1 1 13 GLY HA3 H -13.045 -3.798 0.038 1.00 . A A . 13 GLY HA3 1 1 8 3540 1 1 13 GLY N N -12.420 -2.159 1.214 1.00 . A A . 13 GLY N 1 1 8 3541 1 1 13 GLY O O -10.937 -5.420 0.899 1.00 . A A . 13 GLY O 1 1 8 3542 1 1 14 SER C C -7.875 -3.376 1.817 1.00 . A A . 14 SER C 1 1 8 3543 1 1 14 SER CA C -8.725 -3.908 0.658 1.00 . A A . 14 SER CA 1 1 8 3544 1 1 14 SER CB C -8.200 -3.381 -0.677 1.00 . A A . 14 SER CB 1 1 8 3545 1 1 14 SER H H -10.283 -2.421 0.732 1.00 . A A . 14 SER H 1 1 8 3546 1 1 14 SER HA H -8.729 -4.987 0.654 1.00 . A A . 14 SER HA 1 1 8 3547 1 1 14 SER HB2 H -8.172 -2.306 -0.655 1.00 . A A . 14 SER HB2 1 1 8 3548 1 1 14 SER HB3 H -7.200 -3.762 -0.843 1.00 . A A . 14 SER HB3 1 1 8 3549 1 1 14 SER HG H -8.628 -3.623 -2.559 1.00 . A A . 14 SER HG 1 1 8 3550 1 1 14 SER N N -10.118 -3.387 0.755 1.00 . A A . 14 SER N 1 1 8 3551 1 1 14 SER O O -8.372 -3.120 2.896 1.00 . A A . 14 SER O 1 1 8 3552 1 1 14 SER OG O -9.063 -3.806 -1.723 1.00 . A A . 14 SER OG 1 1 8 3553 1 1 15 THR C C -4.331 -2.335 2.129 1.00 . A A . 15 THR C 1 1 8 3554 1 1 15 THR CA C -5.713 -2.691 2.689 1.00 . A A . 15 THR CA 1 1 8 3555 1 1 15 THR CB C -5.600 -3.842 3.691 1.00 . A A . 15 THR CB 1 1 8 3556 1 1 15 THR CG2 C -4.460 -3.561 4.671 1.00 . A A . 15 THR CG2 1 1 8 3557 1 1 15 THR H H -6.216 -3.418 0.723 1.00 . A A . 15 THR H 1 1 8 3558 1 1 15 THR HA H -6.159 -1.832 3.165 1.00 . A A . 15 THR HA 1 1 8 3559 1 1 15 THR HB H -5.397 -4.761 3.162 1.00 . A A . 15 THR HB 1 1 8 3560 1 1 15 THR HG1 H -7.263 -3.115 4.390 1.00 . A A . 15 THR HG1 1 1 8 3561 1 1 15 THR HG21 H -3.525 -3.881 4.236 1.00 . A A . 15 THR HG21 1 1 8 3562 1 1 15 THR HG22 H -4.633 -4.102 5.589 1.00 . A A . 15 THR HG22 1 1 8 3563 1 1 15 THR HG23 H -4.416 -2.502 4.878 1.00 . A A . 15 THR HG23 1 1 8 3564 1 1 15 THR N N -6.596 -3.207 1.601 1.00 . A A . 15 THR N 1 1 8 3565 1 1 15 THR O O -3.854 -2.945 1.192 1.00 . A A . 15 THR O 1 1 8 3566 1 1 15 THR OG1 O -6.821 -3.967 4.406 1.00 . A A . 15 THR OG1 1 1 8 3567 1 1 16 CYS C C -1.310 -2.054 2.533 1.00 . A A . 16 CYS C 1 1 8 3568 1 1 16 CYS CA C -2.331 -0.962 2.201 1.00 . A A . 16 CYS CA 1 1 8 3569 1 1 16 CYS CB C -1.991 0.328 2.952 1.00 . A A . 16 CYS CB 1 1 8 3570 1 1 16 CYS H H -4.083 -0.877 3.454 1.00 . A A . 16 CYS H 1 1 8 3571 1 1 16 CYS HA H -2.357 -0.776 1.140 1.00 . A A . 16 CYS HA 1 1 8 3572 1 1 16 CYS HB2 H -2.242 0.213 3.996 1.00 . A A . 16 CYS HB2 1 1 8 3573 1 1 16 CYS HB3 H -0.935 0.531 2.857 1.00 . A A . 16 CYS HB3 1 1 8 3574 1 1 16 CYS N N -3.683 -1.354 2.699 1.00 . A A . 16 CYS N 1 1 8 3575 1 1 16 CYS O O -0.820 -2.142 3.642 1.00 . A A . 16 CYS O 1 1 8 3576 1 1 16 CYS SG S -2.935 1.709 2.256 1.00 . A A . 16 CYS SG 1 1 8 3577 1 1 17 SER C C 1.272 -3.383 2.482 1.00 . A A . 17 SER C 1 1 8 3578 1 1 17 SER CA C 0.007 -3.972 1.856 1.00 . A A . 17 SER CA 1 1 8 3579 1 1 17 SER CB C 0.313 -4.585 0.494 1.00 . A A . 17 SER CB 1 1 8 3580 1 1 17 SER H H -1.387 -2.806 0.696 1.00 . A A . 17 SER H 1 1 8 3581 1 1 17 SER HA H -0.422 -4.717 2.508 1.00 . A A . 17 SER HA 1 1 8 3582 1 1 17 SER HB2 H -0.343 -5.422 0.320 1.00 . A A . 17 SER HB2 1 1 8 3583 1 1 17 SER HB3 H 0.153 -3.843 -0.274 1.00 . A A . 17 SER HB3 1 1 8 3584 1 1 17 SER HG H 1.861 -5.422 1.321 1.00 . A A . 17 SER HG 1 1 8 3585 1 1 17 SER N N -0.983 -2.889 1.584 1.00 . A A . 17 SER N 1 1 8 3586 1 1 17 SER O O 1.368 -3.247 3.686 1.00 . A A . 17 SER O 1 1 8 3587 1 1 17 SER OG O 1.660 -5.036 0.467 1.00 . A A . 17 SER OG 1 1 8 3588 1 1 18 SER C C 4.477 -1.997 1.198 1.00 . A A . 18 SER C 1 1 8 3589 1 1 18 SER CA C 3.488 -2.454 2.275 1.00 . A A . 18 SER CA 1 1 8 3590 1 1 18 SER CB C 4.090 -3.589 3.101 1.00 . A A . 18 SER CB 1 1 8 3591 1 1 18 SER H H 2.164 -3.142 0.716 1.00 . A A . 18 SER H 1 1 8 3592 1 1 18 SER HA H 3.239 -1.631 2.919 1.00 . A A . 18 SER HA 1 1 8 3593 1 1 18 SER HB2 H 4.957 -3.232 3.632 1.00 . A A . 18 SER HB2 1 1 8 3594 1 1 18 SER HB3 H 3.356 -3.943 3.813 1.00 . A A . 18 SER HB3 1 1 8 3595 1 1 18 SER HG H 5.226 -5.098 2.628 1.00 . A A . 18 SER HG 1 1 8 3596 1 1 18 SER N N 2.247 -3.030 1.686 1.00 . A A . 18 SER N 1 1 8 3597 1 1 18 SER O O 4.467 -0.857 0.777 1.00 . A A . 18 SER O 1 1 8 3598 1 1 18 SER OG O 4.475 -4.647 2.232 1.00 . A A . 18 SER OG 1 1 8 3599 1 1 19 ALA C C 6.025 -3.078 -1.620 1.00 . A A . 19 ALA C 1 1 8 3600 1 1 19 ALA CA C 6.358 -2.472 -0.257 1.00 . A A . 19 ALA CA 1 1 8 3601 1 1 19 ALA CB C 7.685 -3.026 0.261 1.00 . A A . 19 ALA CB 1 1 8 3602 1 1 19 ALA H H 5.354 -3.777 1.130 1.00 . A A . 19 ALA H 1 1 8 3603 1 1 19 ALA HA H 6.417 -1.397 -0.329 1.00 . A A . 19 ALA HA 1 1 8 3604 1 1 19 ALA HB1 H 8.494 -2.662 -0.354 1.00 . A A . 19 ALA HB1 1 1 8 3605 1 1 19 ALA HB2 H 7.663 -4.105 0.224 1.00 . A A . 19 ALA HB2 1 1 8 3606 1 1 19 ALA HB3 H 7.835 -2.705 1.281 1.00 . A A . 19 ALA HB3 1 1 8 3607 1 1 19 ALA N N 5.350 -2.870 0.768 1.00 . A A . 19 ALA N 1 1 8 3608 1 1 19 ALA O O 4.902 -3.457 -1.887 1.00 . A A . 19 ALA O 1 1 8 3609 1 1 20 PHE C C 6.390 -5.215 -3.732 1.00 . A A . 20 PHE C 1 1 8 3610 1 1 20 PHE CA C 6.740 -3.727 -3.840 1.00 . A A . 20 PHE CA 1 1 8 3611 1 1 20 PHE CB C 8.045 -3.519 -4.621 1.00 . A A . 20 PHE CB 1 1 8 3612 1 1 20 PHE CD1 C 9.723 -4.533 -3.032 1.00 . A A . 20 PHE CD1 1 1 8 3613 1 1 20 PHE CD2 C 9.306 -5.633 -5.152 1.00 . A A . 20 PHE CD2 1 1 8 3614 1 1 20 PHE CE1 C 10.653 -5.526 -2.701 1.00 . A A . 20 PHE CE1 1 1 8 3615 1 1 20 PHE CE2 C 10.236 -6.624 -4.822 1.00 . A A . 20 PHE CE2 1 1 8 3616 1 1 20 PHE CG C 9.048 -4.588 -4.258 1.00 . A A . 20 PHE CG 1 1 8 3617 1 1 20 PHE CZ C 10.909 -6.571 -3.597 1.00 . A A . 20 PHE CZ 1 1 8 3618 1 1 20 PHE H H 7.892 -2.838 -2.254 1.00 . A A . 20 PHE H 1 1 8 3619 1 1 20 PHE HA H 5.939 -3.185 -4.317 1.00 . A A . 20 PHE HA 1 1 8 3620 1 1 20 PHE HB2 H 7.840 -3.569 -5.682 1.00 . A A . 20 PHE HB2 1 1 8 3621 1 1 20 PHE HB3 H 8.453 -2.549 -4.383 1.00 . A A . 20 PHE HB3 1 1 8 3622 1 1 20 PHE HD1 H 9.525 -3.728 -2.341 1.00 . A A . 20 PHE HD1 1 1 8 3623 1 1 20 PHE HD2 H 8.787 -5.672 -6.099 1.00 . A A . 20 PHE HD2 1 1 8 3624 1 1 20 PHE HE1 H 11.173 -5.484 -1.756 1.00 . A A . 20 PHE HE1 1 1 8 3625 1 1 20 PHE HE2 H 10.434 -7.429 -5.513 1.00 . A A . 20 PHE HE2 1 1 8 3626 1 1 20 PHE HZ H 11.627 -7.337 -3.342 1.00 . A A . 20 PHE HZ 1 1 8 3627 1 1 20 PHE N N 6.997 -3.160 -2.490 1.00 . A A . 20 PHE N 1 1 8 3628 1 1 20 PHE O O 5.971 -5.688 -2.693 1.00 . A A . 20 PHE O 1 1 8 3629 1 1 21 GLY C C 5.801 -7.895 -6.122 1.00 . A A . 21 GLY C 1 1 8 3630 1 1 21 GLY CA C 6.243 -7.412 -4.740 1.00 . A A . 21 GLY CA 1 1 8 3631 1 1 21 GLY H H 6.905 -5.559 -5.619 1.00 . A A . 21 GLY H 1 1 8 3632 1 1 21 GLY HA2 H 7.122 -7.960 -4.430 1.00 . A A . 21 GLY HA2 1 1 8 3633 1 1 21 GLY HA3 H 5.445 -7.580 -4.033 1.00 . A A . 21 GLY HA3 1 1 8 3634 1 1 21 GLY N N 6.562 -5.957 -4.792 1.00 . A A . 21 GLY N 1 1 8 3635 1 1 21 GLY O O 4.906 -8.707 -6.249 1.00 . A A . 21 GLY O 1 1 8 3636 1 1 22 PHE C C 7.244 -7.799 -9.469 1.00 . A A . 22 PHE C 1 1 8 3637 1 1 22 PHE CA C 6.036 -7.851 -8.531 1.00 . A A . 22 PHE CA 1 1 8 3638 1 1 22 PHE CB C 4.959 -6.864 -8.982 1.00 . A A . 22 PHE CB 1 1 8 3639 1 1 22 PHE CD1 C 6.050 -4.727 -8.212 1.00 . A A . 22 PHE CD1 1 1 8 3640 1 1 22 PHE CD2 C 5.704 -5.070 -10.586 1.00 . A A . 22 PHE CD2 1 1 8 3641 1 1 22 PHE CE1 C 6.632 -3.481 -8.478 1.00 . A A . 22 PHE CE1 1 1 8 3642 1 1 22 PHE CE2 C 6.284 -3.824 -10.853 1.00 . A A . 22 PHE CE2 1 1 8 3643 1 1 22 PHE CG C 5.588 -5.521 -9.267 1.00 . A A . 22 PHE CG 1 1 8 3644 1 1 22 PHE CZ C 6.748 -3.029 -9.798 1.00 . A A . 22 PHE CZ 1 1 8 3645 1 1 22 PHE H H 7.145 -6.759 -7.038 1.00 . A A . 22 PHE H 1 1 8 3646 1 1 22 PHE HA H 5.628 -8.850 -8.501 1.00 . A A . 22 PHE HA 1 1 8 3647 1 1 22 PHE HB2 H 4.484 -7.235 -9.879 1.00 . A A . 22 PHE HB2 1 1 8 3648 1 1 22 PHE HB3 H 4.220 -6.755 -8.202 1.00 . A A . 22 PHE HB3 1 1 8 3649 1 1 22 PHE HD1 H 5.961 -5.075 -7.194 1.00 . A A . 22 PHE HD1 1 1 8 3650 1 1 22 PHE HD2 H 5.348 -5.685 -11.401 1.00 . A A . 22 PHE HD2 1 1 8 3651 1 1 22 PHE HE1 H 6.989 -2.867 -7.664 1.00 . A A . 22 PHE HE1 1 1 8 3652 1 1 22 PHE HE2 H 6.374 -3.478 -11.871 1.00 . A A . 22 PHE HE2 1 1 8 3653 1 1 22 PHE HZ H 7.194 -2.068 -10.003 1.00 . A A . 22 PHE HZ 1 1 8 3654 1 1 22 PHE N N 6.424 -7.410 -7.160 1.00 . A A . 22 PHE N 1 1 8 3655 1 1 22 PHE O O 7.393 -8.625 -10.347 1.00 . A A . 22 PHE O 1 1 8 3656 1 1 23 ARG C C 10.208 -5.589 -9.747 1.00 . A A . 23 ARG C 1 1 8 3657 1 1 23 ARG CA C 9.306 -6.748 -10.179 1.00 . A A . 23 ARG CA 1 1 8 3658 1 1 23 ARG CB C 8.740 -6.495 -11.578 1.00 . A A . 23 ARG CB 1 1 8 3659 1 1 23 ARG CD C 11.018 -7.120 -12.400 1.00 . A A . 23 ARG CD 1 1 8 3660 1 1 23 ARG CG C 9.877 -6.108 -12.526 1.00 . A A . 23 ARG CG 1 1 8 3661 1 1 23 ARG CZ C 9.948 -8.398 -14.157 1.00 . A A . 23 ARG CZ 1 1 8 3662 1 1 23 ARG H H 7.976 -6.180 -8.580 1.00 . A A . 23 ARG H 1 1 8 3663 1 1 23 ARG HA H 9.853 -7.676 -10.168 1.00 . A A . 23 ARG HA 1 1 8 3664 1 1 23 ARG HB2 H 8.257 -7.391 -11.939 1.00 . A A . 23 ARG HB2 1 1 8 3665 1 1 23 ARG HB3 H 8.020 -5.691 -11.535 1.00 . A A . 23 ARG HB3 1 1 8 3666 1 1 23 ARG HD2 H 11.874 -6.792 -12.973 1.00 . A A . 23 ARG HD2 1 1 8 3667 1 1 23 ARG HD3 H 11.287 -7.260 -11.364 1.00 . A A . 23 ARG HD3 1 1 8 3668 1 1 23 ARG HE H 10.507 -9.212 -12.435 1.00 . A A . 23 ARG HE 1 1 8 3669 1 1 23 ARG HG2 H 9.510 -6.103 -13.543 1.00 . A A . 23 ARG HG2 1 1 8 3670 1 1 23 ARG HG3 H 10.241 -5.125 -12.270 1.00 . A A . 23 ARG HG3 1 1 8 3671 1 1 23 ARG HH11 H 11.712 -8.293 -15.098 1.00 . A A . 23 ARG HH11 1 1 8 3672 1 1 23 ARG HH12 H 10.318 -8.356 -16.124 1.00 . A A . 23 ARG HH12 1 1 8 3673 1 1 23 ARG HH21 H 8.062 -8.504 -13.495 1.00 . A A . 23 ARG HH21 1 1 8 3674 1 1 23 ARG HH22 H 8.250 -8.472 -15.215 1.00 . A A . 23 ARG HH22 1 1 8 3675 1 1 23 ARG N N 8.110 -6.839 -9.292 1.00 . A A . 23 ARG N 1 1 8 3676 1 1 23 ARG NE N 10.472 -8.387 -12.962 1.00 . A A . 23 ARG NE 1 1 8 3677 1 1 23 ARG NH1 N 10.719 -8.345 -15.209 1.00 . A A . 23 ARG NH1 1 1 8 3678 1 1 23 ARG NH2 N 8.653 -8.463 -14.301 1.00 . A A . 23 ARG NH2 1 1 8 3679 1 1 23 ARG O O 11.410 -5.733 -9.640 1.00 . A A . 23 ARG O 1 1 8 3680 1 1 24 ASN C C 10.888 -3.402 -7.619 1.00 . A A . 24 ASN C 1 1 8 3681 1 1 24 ASN CA C 10.475 -3.273 -9.087 1.00 . A A . 24 ASN CA 1 1 8 3682 1 1 24 ASN CB C 9.575 -2.053 -9.286 1.00 . A A . 24 ASN CB 1 1 8 3683 1 1 24 ASN CG C 10.432 -0.786 -9.294 1.00 . A A . 24 ASN CG 1 1 8 3684 1 1 24 ASN H H 8.673 -4.339 -9.601 1.00 . A A . 24 ASN H 1 1 8 3685 1 1 24 ASN HA H 11.346 -3.190 -9.716 1.00 . A A . 24 ASN HA 1 1 8 3686 1 1 24 ASN HB2 H 9.052 -2.141 -10.228 1.00 . A A . 24 ASN HB2 1 1 8 3687 1 1 24 ASN HB3 H 8.859 -1.998 -8.481 1.00 . A A . 24 ASN HB3 1 1 8 3688 1 1 24 ASN HD21 H 9.452 0.040 -10.811 1.00 . A A . 24 ASN HD21 1 1 8 3689 1 1 24 ASN HD22 H 10.725 0.967 -10.178 1.00 . A A . 24 ASN HD22 1 1 8 3690 1 1 24 ASN N N 9.643 -4.438 -9.504 1.00 . A A . 24 ASN N 1 1 8 3691 1 1 24 ASN ND2 N 10.183 0.151 -10.167 1.00 . A A . 24 ASN ND2 1 1 8 3692 1 1 24 ASN O O 10.113 -3.814 -6.780 1.00 . A A . 24 ASN O 1 1 8 3693 1 1 24 ASN OD1 O 11.337 -0.647 -8.496 1.00 . A A . 24 ASN OD1 1 1 8 3694 1 1 25 LEU C C 12.352 -1.816 -5.170 1.00 . A A . 25 LEU C 1 1 8 3695 1 1 25 LEU CA C 12.575 -3.147 -5.891 1.00 . A A . 25 LEU CA 1 1 8 3696 1 1 25 LEU CB C 14.068 -3.457 -5.988 1.00 . A A . 25 LEU CB 1 1 8 3697 1 1 25 LEU CD1 C 13.767 -5.758 -5.068 1.00 . A A . 25 LEU CD1 1 1 8 3698 1 1 25 LEU CD2 C 13.463 -5.338 -7.512 1.00 . A A . 25 LEU CD2 1 1 8 3699 1 1 25 LEU CG C 14.262 -4.948 -6.267 1.00 . A A . 25 LEU CG 1 1 8 3700 1 1 25 LEU H H 12.714 -2.716 -7.999 1.00 . A A . 25 LEU H 1 1 8 3701 1 1 25 LEU HA H 12.063 -3.947 -5.378 1.00 . A A . 25 LEU HA 1 1 8 3702 1 1 25 LEU HB2 H 14.505 -2.880 -6.790 1.00 . A A . 25 LEU HB2 1 1 8 3703 1 1 25 LEU HB3 H 14.552 -3.203 -5.057 1.00 . A A . 25 LEU HB3 1 1 8 3704 1 1 25 LEU HD11 H 14.046 -6.794 -5.193 1.00 . A A . 25 LEU HD11 1 1 8 3705 1 1 25 LEU HD12 H 12.691 -5.681 -5.002 1.00 . A A . 25 LEU HD12 1 1 8 3706 1 1 25 LEU HD13 H 14.211 -5.371 -4.164 1.00 . A A . 25 LEU HD13 1 1 8 3707 1 1 25 LEU HD21 H 13.540 -4.554 -8.250 1.00 . A A . 25 LEU HD21 1 1 8 3708 1 1 25 LEU HD22 H 12.426 -5.480 -7.244 1.00 . A A . 25 LEU HD22 1 1 8 3709 1 1 25 LEU HD23 H 13.857 -6.256 -7.919 1.00 . A A . 25 LEU HD23 1 1 8 3710 1 1 25 LEU HG H 15.311 -5.150 -6.430 1.00 . A A . 25 LEU HG 1 1 8 3711 1 1 25 LEU N N 12.107 -3.049 -7.305 1.00 . A A . 25 LEU N 1 1 8 3712 1 1 25 LEU O O 13.238 -1.291 -4.528 1.00 . A A . 25 LEU O 1 1 8 3713 1 1 26 SER C C 9.809 -0.153 -3.532 1.00 . A A . 26 SER C 1 1 8 3714 1 1 26 SER CA C 10.893 0.031 -4.595 1.00 . A A . 26 SER CA 1 1 8 3715 1 1 26 SER CB C 10.407 0.957 -5.709 1.00 . A A . 26 SER CB 1 1 8 3716 1 1 26 SER H H 10.472 -1.709 -5.795 1.00 . A A . 26 SER H 1 1 8 3717 1 1 26 SER HA H 11.793 0.428 -4.153 1.00 . A A . 26 SER HA 1 1 8 3718 1 1 26 SER HB2 H 11.248 1.294 -6.292 1.00 . A A . 26 SER HB2 1 1 8 3719 1 1 26 SER HB3 H 9.722 0.417 -6.350 1.00 . A A . 26 SER HB3 1 1 8 3720 1 1 26 SER HG H 8.855 2.104 -5.471 1.00 . A A . 26 SER HG 1 1 8 3721 1 1 26 SER N N 11.173 -1.268 -5.272 1.00 . A A . 26 SER N 1 1 8 3722 1 1 26 SER O O 9.516 -1.258 -3.119 1.00 . A A . 26 SER O 1 1 8 3723 1 1 26 SER OG O 9.754 2.082 -5.136 1.00 . A A . 26 SER OG 1 1 8 3724 1 1 27 LEU C C 6.833 0.351 -2.681 1.00 . A A . 27 LEU C 1 1 8 3725 1 1 27 LEU CA C 8.150 0.781 -2.041 1.00 . A A . 27 LEU CA 1 1 8 3726 1 1 27 LEU CB C 8.011 2.169 -1.412 1.00 . A A . 27 LEU CB 1 1 8 3727 1 1 27 LEU CD1 C 7.987 1.144 0.865 1.00 . A A . 27 LEU CD1 1 1 8 3728 1 1 27 LEU CD2 C 10.155 1.820 -0.181 1.00 . A A . 27 LEU CD2 1 1 8 3729 1 1 27 LEU CG C 8.673 2.175 -0.034 1.00 . A A . 27 LEU CG 1 1 8 3730 1 1 27 LEU H H 9.458 1.800 -3.420 1.00 . A A . 27 LEU H 1 1 8 3731 1 1 27 LEU HA H 8.448 0.064 -1.294 1.00 . A A . 27 LEU HA 1 1 8 3732 1 1 27 LEU HB2 H 8.488 2.902 -2.046 1.00 . A A . 27 LEU HB2 1 1 8 3733 1 1 27 LEU HB3 H 6.963 2.411 -1.305 1.00 . A A . 27 LEU HB3 1 1 8 3734 1 1 27 LEU HD11 H 8.037 1.472 1.892 1.00 . A A . 27 LEU HD11 1 1 8 3735 1 1 27 LEU HD12 H 8.488 0.191 0.767 1.00 . A A . 27 LEU HD12 1 1 8 3736 1 1 27 LEU HD13 H 6.954 1.040 0.570 1.00 . A A . 27 LEU HD13 1 1 8 3737 1 1 27 LEU HD21 H 10.754 2.560 0.328 1.00 . A A . 27 LEU HD21 1 1 8 3738 1 1 27 LEU HD22 H 10.416 1.801 -1.227 1.00 . A A . 27 LEU HD22 1 1 8 3739 1 1 27 LEU HD23 H 10.337 0.848 0.254 1.00 . A A . 27 LEU HD23 1 1 8 3740 1 1 27 LEU HG H 8.577 3.157 0.407 1.00 . A A . 27 LEU HG 1 1 8 3741 1 1 27 LEU N N 9.210 0.915 -3.080 1.00 . A A . 27 LEU N 1 1 8 3742 1 1 27 LEU O O 6.505 -0.815 -2.712 1.00 . A A . 27 LEU O 1 1 8 3743 1 1 28 VAL C C 3.946 0.105 -2.770 1.00 . A A . 28 VAL C 1 1 8 3744 1 1 28 VAL CA C 4.771 0.885 -3.798 1.00 . A A . 28 VAL CA 1 1 8 3745 1 1 28 VAL CB C 5.151 0.000 -4.993 1.00 . A A . 28 VAL CB 1 1 8 3746 1 1 28 VAL CG1 C 4.023 -0.991 -5.295 1.00 . A A . 28 VAL CG1 1 1 8 3747 1 1 28 VAL CG2 C 5.390 0.884 -6.219 1.00 . A A . 28 VAL CG2 1 1 8 3748 1 1 28 VAL H H 6.336 2.216 -3.146 1.00 . A A . 28 VAL H 1 1 8 3749 1 1 28 VAL HA H 4.233 1.756 -4.136 1.00 . A A . 28 VAL HA 1 1 8 3750 1 1 28 VAL HB H 6.055 -0.545 -4.761 1.00 . A A . 28 VAL HB 1 1 8 3751 1 1 28 VAL HG11 H 3.820 -1.584 -4.413 1.00 . A A . 28 VAL HG11 1 1 8 3752 1 1 28 VAL HG12 H 4.319 -1.640 -6.105 1.00 . A A . 28 VAL HG12 1 1 8 3753 1 1 28 VAL HG13 H 3.133 -0.448 -5.576 1.00 . A A . 28 VAL HG13 1 1 8 3754 1 1 28 VAL HG21 H 4.884 1.829 -6.085 1.00 . A A . 28 VAL HG21 1 1 8 3755 1 1 28 VAL HG22 H 5.003 0.390 -7.099 1.00 . A A . 28 VAL HG22 1 1 8 3756 1 1 28 VAL HG23 H 6.449 1.056 -6.338 1.00 . A A . 28 VAL HG23 1 1 8 3757 1 1 28 VAL N N 6.067 1.274 -3.182 1.00 . A A . 28 VAL N 1 1 8 3758 1 1 28 VAL O O 4.447 -0.295 -1.738 1.00 . A A . 28 VAL O 1 1 8 3759 1 1 29 TRP C C 0.921 -1.828 -2.786 1.00 . A A . 29 TRP C 1 1 8 3760 1 1 29 TRP CA C 1.853 -0.859 -2.056 1.00 . A A . 29 TRP CA 1 1 8 3761 1 1 29 TRP CB C 1.065 0.217 -1.312 1.00 . A A . 29 TRP CB 1 1 8 3762 1 1 29 TRP CD1 C 2.953 1.820 -0.807 1.00 . A A . 29 TRP CD1 1 1 8 3763 1 1 29 TRP CD2 C 2.070 0.913 1.052 1.00 . A A . 29 TRP CD2 1 1 8 3764 1 1 29 TRP CE2 C 3.112 1.776 1.473 1.00 . A A . 29 TRP CE2 1 1 8 3765 1 1 29 TRP CE3 C 1.348 0.217 2.038 1.00 . A A . 29 TRP CE3 1 1 8 3766 1 1 29 TRP CG C 1.994 0.957 -0.402 1.00 . A A . 29 TRP CG 1 1 8 3767 1 1 29 TRP CH2 C 2.694 1.244 3.789 1.00 . A A . 29 TRP CH2 1 1 8 3768 1 1 29 TRP CZ2 C 3.424 1.941 2.821 1.00 . A A . 29 TRP CZ2 1 1 8 3769 1 1 29 TRP CZ3 C 1.658 0.383 3.398 1.00 . A A . 29 TRP CZ3 1 1 8 3770 1 1 29 TRP H H 2.297 0.221 -3.869 1.00 . A A . 29 TRP H 1 1 8 3771 1 1 29 TRP HA H 2.482 -1.397 -1.363 1.00 . A A . 29 TRP HA 1 1 8 3772 1 1 29 TRP HB2 H 0.632 0.904 -2.024 1.00 . A A . 29 TRP HB2 1 1 8 3773 1 1 29 TRP HB3 H 0.281 -0.245 -0.730 1.00 . A A . 29 TRP HB3 1 1 8 3774 1 1 29 TRP HD1 H 3.169 2.084 -1.831 1.00 . A A . 29 TRP HD1 1 1 8 3775 1 1 29 TRP HE1 H 4.365 2.936 0.283 1.00 . A A . 29 TRP HE1 1 1 8 3776 1 1 29 TRP HE3 H 0.548 -0.448 1.747 1.00 . A A . 29 TRP HE3 1 1 8 3777 1 1 29 TRP HH2 H 2.928 1.368 4.836 1.00 . A A . 29 TRP HH2 1 1 8 3778 1 1 29 TRP HZ2 H 4.224 2.606 3.115 1.00 . A A . 29 TRP HZ2 1 1 8 3779 1 1 29 TRP HZ3 H 1.095 -0.155 4.147 1.00 . A A . 29 TRP HZ3 1 1 8 3780 1 1 29 TRP N N 2.690 -0.111 -3.034 1.00 . A A . 29 TRP N 1 1 8 3781 1 1 29 TRP NE1 N 3.623 2.298 0.302 1.00 . A A . 29 TRP NE1 1 1 8 3782 1 1 29 TRP O O 0.297 -1.484 -3.771 1.00 . A A . 29 TRP O 1 1 8 3783 1 1 30 GLY C C -1.410 -4.108 -2.295 1.00 . A A . 30 GLY C 1 1 8 3784 1 1 30 GLY CA C -0.045 -4.045 -2.987 1.00 . A A . 30 GLY CA 1 1 8 3785 1 1 30 GLY H H 1.360 -3.296 -1.523 1.00 . A A . 30 GLY H 1 1 8 3786 1 1 30 GLY HA2 H -0.179 -3.766 -4.021 1.00 . A A . 30 GLY HA2 1 1 8 3787 1 1 30 GLY HA3 H 0.421 -5.017 -2.937 1.00 . A A . 30 GLY HA3 1 1 8 3788 1 1 30 GLY N N 0.834 -3.041 -2.314 1.00 . A A . 30 GLY N 1 1 8 3789 1 1 30 GLY O O -1.553 -4.679 -1.234 1.00 . A A . 30 GLY O 1 1 8 3790 1 1 31 CYS C C -4.267 -5.030 -2.184 1.00 . A A . 31 CYS C 1 1 8 3791 1 1 31 CYS CA C -3.774 -3.581 -2.266 1.00 . A A . 31 CYS CA 1 1 8 3792 1 1 31 CYS CB C -4.669 -2.758 -3.192 1.00 . A A . 31 CYS CB 1 1 8 3793 1 1 31 CYS H H -2.293 -3.089 -3.754 1.00 . A A . 31 CYS H 1 1 8 3794 1 1 31 CYS HA H -3.749 -3.135 -1.283 1.00 . A A . 31 CYS HA 1 1 8 3795 1 1 31 CYS HB2 H -4.067 -2.045 -3.736 1.00 . A A . 31 CYS HB2 1 1 8 3796 1 1 31 CYS HB3 H -5.167 -3.415 -3.890 1.00 . A A . 31 CYS HB3 1 1 8 3797 1 1 31 CYS N N -2.420 -3.537 -2.892 1.00 . A A . 31 CYS N 1 1 8 3798 1 1 31 CYS O O -4.299 -5.741 -3.170 1.00 . A A . 31 CYS O 1 1 8 3799 1 1 31 CYS SG S -5.905 -1.875 -2.207 1.00 . A A . 31 CYS SG 1 1 8 3800 1 1 32 SER C C -6.465 -6.901 -0.117 1.00 . A A . 32 SER C 1 1 8 3801 1 1 32 SER CA C -5.133 -6.879 -0.871 1.00 . A A . 32 SER CA 1 1 8 3802 1 1 32 SER CB C -4.052 -7.600 -0.064 1.00 . A A . 32 SER CB 1 1 8 3803 1 1 32 SER H H -4.610 -4.885 -0.234 1.00 . A A . 32 SER H 1 1 8 3804 1 1 32 SER HA H -5.241 -7.342 -1.838 1.00 . A A . 32 SER HA 1 1 8 3805 1 1 32 SER HB2 H -4.469 -7.946 0.868 1.00 . A A . 32 SER HB2 1 1 8 3806 1 1 32 SER HB3 H -3.690 -8.449 -0.630 1.00 . A A . 32 SER HB3 1 1 8 3807 1 1 32 SER HG H -2.372 -6.739 -0.533 1.00 . A A . 32 SER HG 1 1 8 3808 1 1 32 SER N N -4.647 -5.474 -1.016 1.00 . A A . 32 SER N 1 1 8 3809 1 1 32 SER O O -6.892 -5.895 0.410 1.00 . A A . 32 SER O 1 1 8 3810 1 1 32 SER OG O -2.982 -6.704 0.209 1.00 . A A . 32 SER OG 1 1 8 3811 1 1 33 PRO C C -8.201 -8.170 2.116 1.00 . A A . 33 PRO C 1 1 8 3812 1 1 33 PRO CA C -8.381 -8.215 0.599 1.00 . A A . 33 PRO CA 1 1 8 3813 1 1 33 PRO CB C -8.859 -9.593 0.147 1.00 . A A . 33 PRO CB 1 1 8 3814 1 1 33 PRO CD C -6.618 -9.307 -0.705 1.00 . A A . 33 PRO CD 1 1 8 3815 1 1 33 PRO CG C -7.612 -10.332 -0.221 1.00 . A A . 33 PRO CG 1 1 8 3816 1 1 33 PRO HA H -9.078 -7.460 0.279 1.00 . A A . 33 PRO HA 1 1 8 3817 1 1 33 PRO HB2 H -9.372 -10.094 0.958 1.00 . A A . 33 PRO HB2 1 1 8 3818 1 1 33 PRO HB3 H -9.504 -9.505 -0.712 1.00 . A A . 33 PRO HB3 1 1 8 3819 1 1 33 PRO HD2 H -5.623 -9.556 -0.365 1.00 . A A . 33 PRO HD2 1 1 8 3820 1 1 33 PRO HD3 H -6.645 -9.228 -1.781 1.00 . A A . 33 PRO HD3 1 1 8 3821 1 1 33 PRO HG2 H -7.223 -10.847 0.645 1.00 . A A . 33 PRO HG2 1 1 8 3822 1 1 33 PRO HG3 H -7.821 -11.038 -1.010 1.00 . A A . 33 PRO HG3 1 1 8 3823 1 1 33 PRO N N -7.077 -8.054 -0.095 1.00 . A A . 33 PRO N 1 1 8 3824 1 1 33 PRO O O -7.456 -8.940 2.688 1.00 . A A . 33 PRO O 1 1 8 3825 1 1 34 VAL C C -9.343 -8.433 4.911 1.00 . A A . 34 VAL C 1 1 8 3826 1 1 34 VAL CA C -8.764 -7.179 4.253 1.00 . A A . 34 VAL CA 1 1 8 3827 1 1 34 VAL CB C -9.580 -5.946 4.638 1.00 . A A . 34 VAL CB 1 1 8 3828 1 1 34 VAL CG1 C -10.983 -6.058 4.041 1.00 . A A . 34 VAL CG1 1 1 8 3829 1 1 34 VAL CG2 C -9.677 -5.857 6.162 1.00 . A A . 34 VAL CG2 1 1 8 3830 1 1 34 VAL H H -9.485 -6.667 2.290 1.00 . A A . 34 VAL H 1 1 8 3831 1 1 34 VAL HA H -7.733 -7.044 4.539 1.00 . A A . 34 VAL HA 1 1 8 3832 1 1 34 VAL HB H -9.094 -5.060 4.253 1.00 . A A . 34 VAL HB 1 1 8 3833 1 1 34 VAL HG11 H -11.192 -7.091 3.807 1.00 . A A . 34 VAL HG11 1 1 8 3834 1 1 34 VAL HG12 H -11.039 -5.464 3.141 1.00 . A A . 34 VAL HG12 1 1 8 3835 1 1 34 VAL HG13 H -11.707 -5.697 4.757 1.00 . A A . 34 VAL HG13 1 1 8 3836 1 1 34 VAL HG21 H -10.461 -6.512 6.512 1.00 . A A . 34 VAL HG21 1 1 8 3837 1 1 34 VAL HG22 H -9.901 -4.840 6.450 1.00 . A A . 34 VAL HG22 1 1 8 3838 1 1 34 VAL HG23 H -8.736 -6.155 6.602 1.00 . A A . 34 VAL HG23 1 1 8 3839 1 1 34 VAL N N -8.887 -7.274 2.772 1.00 . A A . 34 VAL N 1 1 8 3840 1 1 34 VAL O O -10.500 -8.470 5.284 1.00 . A A . 34 VAL O 1 1 8 3841 1 1 35 GLU C C -10.009 -10.426 6.816 1.00 . A A . 35 GLU C 1 1 8 3842 1 1 35 GLU CA C -9.025 -10.725 5.681 1.00 . A A . 35 GLU CA 1 1 8 3843 1 1 35 GLU CB C -7.765 -11.385 6.236 1.00 . A A . 35 GLU CB 1 1 8 3844 1 1 35 GLU CD C -6.374 -13.459 6.159 1.00 . A A . 35 GLU CD 1 1 8 3845 1 1 35 GLU CG C -7.450 -12.650 5.433 1.00 . A A . 35 GLU CG 1 1 8 3846 1 1 35 GLU H H -7.619 -9.394 4.731 1.00 . A A . 35 GLU H 1 1 8 3847 1 1 35 GLU HA H -9.481 -11.364 4.943 1.00 . A A . 35 GLU HA 1 1 8 3848 1 1 35 GLU HB2 H -6.936 -10.696 6.164 1.00 . A A . 35 GLU HB2 1 1 8 3849 1 1 35 GLU HB3 H -7.923 -11.649 7.271 1.00 . A A . 35 GLU HB3 1 1 8 3850 1 1 35 GLU HG2 H -8.345 -13.245 5.337 1.00 . A A . 35 GLU HG2 1 1 8 3851 1 1 35 GLU HG3 H -7.091 -12.374 4.454 1.00 . A A . 35 GLU HG3 1 1 8 3852 1 1 35 GLU N N -8.543 -9.457 5.049 1.00 . A A . 35 GLU N 1 1 8 3853 1 1 35 GLU O O -11.195 -10.640 6.618 1.00 . A A . 35 GLU O 1 1 8 3854 1 1 35 GLU OXT O -9.562 -9.989 7.863 1.00 . A A . 35 GLU OXT 1 1 8 3855 1 1 35 GLU OE1 O -5.363 -12.877 6.519 1.00 . A A . 35 GLU OE1 1 1 8 3856 1 1 35 GLU OE2 O -6.577 -14.647 6.342 1.00 . A A . 35 GLU OE2 1 1 9 3857 1 1 1 ASP C C -10.356 6.037 0.688 1.00 . A A . 1 ASP C 1 1 9 3858 1 1 1 ASP CA C -11.503 5.775 -0.292 1.00 . A A . 1 ASP CA 1 1 9 3859 1 1 1 ASP CB C -12.017 7.091 -0.879 1.00 . A A . 1 ASP CB 1 1 9 3860 1 1 1 ASP CG C -12.426 8.033 0.256 1.00 . A A . 1 ASP CG 1 1 9 3861 1 1 1 ASP H1 H -12.658 4.156 0.328 1.00 . A A . 1 ASP H1 1 1 9 3862 1 1 1 ASP H2 H -13.550 5.570 0.030 1.00 . A A . 1 ASP H2 1 1 9 3863 1 1 1 ASP H3 H -12.612 5.437 1.439 1.00 . A A . 1 ASP H3 1 1 9 3864 1 1 1 ASP HA H -11.181 5.118 -1.084 1.00 . A A . 1 ASP HA 1 1 9 3865 1 1 1 ASP HB2 H -11.236 7.553 -1.466 1.00 . A A . 1 ASP HB2 1 1 9 3866 1 1 1 ASP HB3 H -12.873 6.896 -1.506 1.00 . A A . 1 ASP HB3 1 1 9 3867 1 1 1 ASP N N -12.670 5.190 0.431 1.00 . A A . 1 ASP N 1 1 9 3868 1 1 1 ASP O O -9.882 7.148 0.821 1.00 . A A . 1 ASP O 1 1 9 3869 1 1 1 ASP OD1 O -12.679 7.541 1.344 1.00 . A A . 1 ASP OD1 1 1 9 3870 1 1 1 ASP OD2 O -12.478 9.228 0.019 1.00 . A A . 1 ASP OD2 1 1 9 3871 1 1 2 HIS C C -7.530 5.691 1.621 1.00 . A A . 2 HIS C 1 1 9 3872 1 1 2 HIS CA C -8.792 5.215 2.347 1.00 . A A . 2 HIS CA 1 1 9 3873 1 1 2 HIS CB C -8.567 3.834 2.965 1.00 . A A . 2 HIS CB 1 1 9 3874 1 1 2 HIS CD2 C -9.571 2.904 5.209 1.00 . A A . 2 HIS CD2 1 1 9 3875 1 1 2 HIS CE1 C -9.310 4.678 6.427 1.00 . A A . 2 HIS CE1 1 1 9 3876 1 1 2 HIS CG C -8.993 3.857 4.407 1.00 . A A . 2 HIS CG 1 1 9 3877 1 1 2 HIS H H -10.306 4.132 1.252 1.00 . A A . 2 HIS H 1 1 9 3878 1 1 2 HIS HA H -9.076 5.919 3.112 1.00 . A A . 2 HIS HA 1 1 9 3879 1 1 2 HIS HB2 H -9.150 3.101 2.428 1.00 . A A . 2 HIS HB2 1 1 9 3880 1 1 2 HIS HB3 H -7.520 3.579 2.905 1.00 . A A . 2 HIS HB3 1 1 9 3881 1 1 2 HIS HD1 H -8.448 5.836 4.928 1.00 . A A . 2 HIS HD1 1 1 9 3882 1 1 2 HIS HD2 H -9.832 1.905 4.898 1.00 . A A . 2 HIS HD2 1 1 9 3883 1 1 2 HIS HE1 H -9.316 5.365 7.260 1.00 . A A . 2 HIS HE1 1 1 9 3884 1 1 2 HIS N N -9.908 5.022 1.375 1.00 . A A . 2 HIS N 1 1 9 3885 1 1 2 HIS ND1 N -8.835 4.979 5.204 1.00 . A A . 2 HIS ND1 1 1 9 3886 1 1 2 HIS NE2 N -9.771 3.425 6.485 1.00 . A A . 2 HIS NE2 1 1 9 3887 1 1 2 HIS O O -7.595 6.245 0.541 1.00 . A A . 2 HIS O 1 1 9 3888 1 1 3 VAL C C -4.073 4.792 1.617 1.00 . A A . 3 VAL C 1 1 9 3889 1 1 3 VAL CA C -5.113 5.916 1.547 1.00 . A A . 3 VAL CA 1 1 9 3890 1 1 3 VAL CB C -4.646 7.128 2.353 1.00 . A A . 3 VAL CB 1 1 9 3891 1 1 3 VAL CG1 C -3.508 7.830 1.610 1.00 . A A . 3 VAL CG1 1 1 9 3892 1 1 3 VAL CG2 C -5.811 8.103 2.535 1.00 . A A . 3 VAL CG2 1 1 9 3893 1 1 3 VAL H H -6.349 5.029 3.075 1.00 . A A . 3 VAL H 1 1 9 3894 1 1 3 VAL HA H -5.296 6.200 0.523 1.00 . A A . 3 VAL HA 1 1 9 3895 1 1 3 VAL HB H -4.293 6.802 3.321 1.00 . A A . 3 VAL HB 1 1 9 3896 1 1 3 VAL HG11 H -3.601 7.643 0.550 1.00 . A A . 3 VAL HG11 1 1 9 3897 1 1 3 VAL HG12 H -2.560 7.450 1.961 1.00 . A A . 3 VAL HG12 1 1 9 3898 1 1 3 VAL HG13 H -3.559 8.893 1.794 1.00 . A A . 3 VAL HG13 1 1 9 3899 1 1 3 VAL HG21 H -6.045 8.566 1.588 1.00 . A A . 3 VAL HG21 1 1 9 3900 1 1 3 VAL HG22 H -5.535 8.865 3.248 1.00 . A A . 3 VAL HG22 1 1 9 3901 1 1 3 VAL HG23 H -6.677 7.566 2.898 1.00 . A A . 3 VAL HG23 1 1 9 3902 1 1 3 VAL N N -6.380 5.478 2.204 1.00 . A A . 3 VAL N 1 1 9 3903 1 1 3 VAL O O -4.323 3.744 2.176 1.00 . A A . 3 VAL O 1 1 9 3904 1 1 4 CYS C C -0.471 4.549 0.879 1.00 . A A . 4 CYS C 1 1 9 3905 1 1 4 CYS CA C -1.860 3.936 1.099 1.00 . A A . 4 CYS CA 1 1 9 3906 1 1 4 CYS CB C -2.219 2.980 -0.048 1.00 . A A . 4 CYS CB 1 1 9 3907 1 1 4 CYS H H -2.725 5.854 0.610 1.00 . A A . 4 CYS H 1 1 9 3908 1 1 4 CYS HA H -1.889 3.420 2.039 1.00 . A A . 4 CYS HA 1 1 9 3909 1 1 4 CYS HB2 H -3.165 3.271 -0.472 1.00 . A A . 4 CYS HB2 1 1 9 3910 1 1 4 CYS HB3 H -1.454 3.041 -0.812 1.00 . A A . 4 CYS HB3 1 1 9 3911 1 1 4 CYS N N -2.909 5.001 1.056 1.00 . A A . 4 CYS N 1 1 9 3912 1 1 4 CYS O O 0.089 4.479 -0.196 1.00 . A A . 4 CYS O 1 1 9 3913 1 1 4 CYS SG S -2.330 1.263 0.534 1.00 . A A . 4 CYS SG 1 1 9 3914 1 1 5 ASP C C 1.440 6.924 0.789 1.00 . A A . 5 ASP C 1 1 9 3915 1 1 5 ASP CA C 1.448 5.749 1.773 1.00 . A A . 5 ASP CA 1 1 9 3916 1 1 5 ASP CB C 2.342 4.621 1.256 1.00 . A A . 5 ASP CB 1 1 9 3917 1 1 5 ASP CG C 3.302 4.182 2.363 1.00 . A A . 5 ASP CG 1 1 9 3918 1 1 5 ASP H H -0.381 5.174 2.760 1.00 . A A . 5 ASP H 1 1 9 3919 1 1 5 ASP HA H 1.800 6.077 2.738 1.00 . A A . 5 ASP HA 1 1 9 3920 1 1 5 ASP HB2 H 1.729 3.784 0.956 1.00 . A A . 5 ASP HB2 1 1 9 3921 1 1 5 ASP HB3 H 2.911 4.974 0.408 1.00 . A A . 5 ASP HB3 1 1 9 3922 1 1 5 ASP N N 0.089 5.140 1.901 1.00 . A A . 5 ASP N 1 1 9 3923 1 1 5 ASP O O 2.457 7.276 0.225 1.00 . A A . 5 ASP O 1 1 9 3924 1 1 5 ASP OD1 O 3.161 4.669 3.473 1.00 . A A . 5 ASP OD1 1 1 9 3925 1 1 5 ASP OD2 O 4.162 3.363 2.083 1.00 . A A . 5 ASP OD2 1 1 9 3926 1 1 6 ASP C C 0.468 8.265 -1.808 1.00 . A A . 6 ASP C 1 1 9 3927 1 1 6 ASP CA C 0.250 8.709 -0.353 1.00 . A A . 6 ASP CA 1 1 9 3928 1 1 6 ASP CB C 1.385 9.632 0.093 1.00 . A A . 6 ASP CB 1 1 9 3929 1 1 6 ASP CG C 1.094 11.064 -0.358 1.00 . A A . 6 ASP CG 1 1 9 3930 1 1 6 ASP H H -0.501 7.253 1.057 1.00 . A A . 6 ASP H 1 1 9 3931 1 1 6 ASP HA H -0.695 9.219 -0.257 1.00 . A A . 6 ASP HA 1 1 9 3932 1 1 6 ASP HB2 H 1.471 9.603 1.169 1.00 . A A . 6 ASP HB2 1 1 9 3933 1 1 6 ASP HB3 H 2.313 9.300 -0.350 1.00 . A A . 6 ASP HB3 1 1 9 3934 1 1 6 ASP N N 0.309 7.544 0.586 1.00 . A A . 6 ASP N 1 1 9 3935 1 1 6 ASP O O 0.453 9.073 -2.714 1.00 . A A . 6 ASP O 1 1 9 3936 1 1 6 ASP OD1 O 0.658 11.234 -1.485 1.00 . A A . 6 ASP OD1 1 1 9 3937 1 1 6 ASP OD2 O 1.313 11.969 0.433 1.00 . A A . 6 ASP OD2 1 1 9 3938 1 1 7 ASN C C -0.381 5.865 -3.982 1.00 . A A . 7 ASN C 1 1 9 3939 1 1 7 ASN CA C 0.886 6.533 -3.445 1.00 . A A . 7 ASN CA 1 1 9 3940 1 1 7 ASN CB C 2.031 5.524 -3.361 1.00 . A A . 7 ASN CB 1 1 9 3941 1 1 7 ASN CG C 2.349 5.001 -4.763 1.00 . A A . 7 ASN CG 1 1 9 3942 1 1 7 ASN H H 0.676 6.354 -1.308 1.00 . A A . 7 ASN H 1 1 9 3943 1 1 7 ASN HA H 1.170 7.360 -4.077 1.00 . A A . 7 ASN HA 1 1 9 3944 1 1 7 ASN HB2 H 2.905 6.007 -2.948 1.00 . A A . 7 ASN HB2 1 1 9 3945 1 1 7 ASN HB3 H 1.740 4.701 -2.727 1.00 . A A . 7 ASN HB3 1 1 9 3946 1 1 7 ASN HD21 H 3.231 3.350 -4.103 1.00 . A A . 7 ASN HD21 1 1 9 3947 1 1 7 ASN HD22 H 3.178 3.519 -5.791 1.00 . A A . 7 ASN HD22 1 1 9 3948 1 1 7 ASN N N 0.669 6.998 -2.045 1.00 . A A . 7 ASN N 1 1 9 3949 1 1 7 ASN ND2 N 2.972 3.862 -4.897 1.00 . A A . 7 ASN ND2 1 1 9 3950 1 1 7 ASN O O -0.605 5.801 -5.174 1.00 . A A . 7 ASN O 1 1 9 3951 1 1 7 ASN OD1 O 2.027 5.636 -5.747 1.00 . A A . 7 ASN OD1 1 1 9 3952 1 1 8 PHE C C -3.552 4.840 -2.497 1.00 . A A . 8 PHE C 1 1 9 3953 1 1 8 PHE CA C -2.466 4.709 -3.569 1.00 . A A . 8 PHE CA 1 1 9 3954 1 1 8 PHE CB C -2.091 3.243 -3.782 1.00 . A A . 8 PHE CB 1 1 9 3955 1 1 8 PHE CD1 C -3.473 2.646 -5.803 1.00 . A A . 8 PHE CD1 1 1 9 3956 1 1 8 PHE CD2 C -4.104 1.729 -3.649 1.00 . A A . 8 PHE CD2 1 1 9 3957 1 1 8 PHE CE1 C -4.548 1.980 -6.402 1.00 . A A . 8 PHE CE1 1 1 9 3958 1 1 8 PHE CE2 C -5.180 1.062 -4.249 1.00 . A A . 8 PHE CE2 1 1 9 3959 1 1 8 PHE CG C -3.249 2.521 -4.427 1.00 . A A . 8 PHE CG 1 1 9 3960 1 1 8 PHE CZ C -5.401 1.188 -5.625 1.00 . A A . 8 PHE CZ 1 1 9 3961 1 1 8 PHE H H -1.015 5.434 -2.151 1.00 . A A . 8 PHE H 1 1 9 3962 1 1 8 PHE HA H -2.799 5.143 -4.499 1.00 . A A . 8 PHE HA 1 1 9 3963 1 1 8 PHE HB2 H -1.225 3.182 -4.426 1.00 . A A . 8 PHE HB2 1 1 9 3964 1 1 8 PHE HB3 H -1.866 2.785 -2.831 1.00 . A A . 8 PHE HB3 1 1 9 3965 1 1 8 PHE HD1 H -2.814 3.257 -6.403 1.00 . A A . 8 PHE HD1 1 1 9 3966 1 1 8 PHE HD2 H -3.933 1.631 -2.587 1.00 . A A . 8 PHE HD2 1 1 9 3967 1 1 8 PHE HE1 H -4.719 2.078 -7.464 1.00 . A A . 8 PHE HE1 1 1 9 3968 1 1 8 PHE HE2 H -5.839 0.452 -3.649 1.00 . A A . 8 PHE HE2 1 1 9 3969 1 1 8 PHE HZ H -6.232 0.676 -6.087 1.00 . A A . 8 PHE HZ 1 1 9 3970 1 1 8 PHE N N -1.212 5.370 -3.109 1.00 . A A . 8 PHE N 1 1 9 3971 1 1 8 PHE O O -3.282 5.200 -1.368 1.00 . A A . 8 PHE O 1 1 9 3972 1 1 9 SER C C -6.697 3.373 -1.811 1.00 . A A . 9 SER C 1 1 9 3973 1 1 9 SER CA C -5.875 4.661 -1.839 1.00 . A A . 9 SER CA 1 1 9 3974 1 1 9 SER CB C -6.736 5.830 -2.312 1.00 . A A . 9 SER CB 1 1 9 3975 1 1 9 SER H H -4.975 4.263 -3.757 1.00 . A A . 9 SER H 1 1 9 3976 1 1 9 SER HA H -5.472 4.873 -0.860 1.00 . A A . 9 SER HA 1 1 9 3977 1 1 9 SER HB2 H -7.635 5.453 -2.770 1.00 . A A . 9 SER HB2 1 1 9 3978 1 1 9 SER HB3 H -6.999 6.447 -1.463 1.00 . A A . 9 SER HB3 1 1 9 3979 1 1 9 SER HG H -5.784 7.435 -2.860 1.00 . A A . 9 SER HG 1 1 9 3980 1 1 9 SER N N -4.777 4.551 -2.841 1.00 . A A . 9 SER N 1 1 9 3981 1 1 9 SER O O -6.886 2.720 -2.820 1.00 . A A . 9 SER O 1 1 9 3982 1 1 9 SER OG O -6.012 6.595 -3.265 1.00 . A A . 9 SER OG 1 1 9 3983 1 1 10 CYS C C -9.502 2.139 -0.532 1.00 . A A . 10 CYS C 1 1 9 3984 1 1 10 CYS CA C -8.018 1.768 -0.568 1.00 . A A . 10 CYS CA 1 1 9 3985 1 1 10 CYS CB C -7.594 1.109 0.749 1.00 . A A . 10 CYS CB 1 1 9 3986 1 1 10 CYS H H -7.039 3.554 0.132 1.00 . A A . 10 CYS H 1 1 9 3987 1 1 10 CYS HA H -7.811 1.109 -1.395 1.00 . A A . 10 CYS HA 1 1 9 3988 1 1 10 CYS HB2 H -7.998 1.669 1.579 1.00 . A A . 10 CYS HB2 1 1 9 3989 1 1 10 CYS HB3 H -7.968 0.095 0.784 1.00 . A A . 10 CYS HB3 1 1 9 3990 1 1 10 CYS N N -7.197 3.007 -0.665 1.00 . A A . 10 CYS N 1 1 9 3991 1 1 10 CYS O O -9.847 3.275 -0.289 1.00 . A A . 10 CYS O 1 1 9 3992 1 1 10 CYS SG S -5.787 1.085 0.861 1.00 . A A . 10 CYS SG 1 1 9 3993 1 1 11 PRO C C -12.316 1.515 0.661 1.00 . A A . 11 PRO C 1 1 9 3994 1 1 11 PRO CA C -11.793 1.406 -0.776 1.00 . A A . 11 PRO CA 1 1 9 3995 1 1 11 PRO CB C -12.358 0.172 -1.467 1.00 . A A . 11 PRO CB 1 1 9 3996 1 1 11 PRO CD C -9.997 -0.226 -1.088 1.00 . A A . 11 PRO CD 1 1 9 3997 1 1 11 PRO CG C -11.335 -0.902 -1.256 1.00 . A A . 11 PRO CG 1 1 9 3998 1 1 11 PRO HA H -12.036 2.291 -1.341 1.00 . A A . 11 PRO HA 1 1 9 3999 1 1 11 PRO HB2 H -13.299 -0.107 -1.018 1.00 . A A . 11 PRO HB2 1 1 9 4000 1 1 11 PRO HB3 H -12.482 0.359 -2.522 1.00 . A A . 11 PRO HB3 1 1 9 4001 1 1 11 PRO HD2 H -9.448 -0.676 -0.272 1.00 . A A . 11 PRO HD2 1 1 9 4002 1 1 11 PRO HD3 H -9.428 -0.277 -2.003 1.00 . A A . 11 PRO HD3 1 1 9 4003 1 1 11 PRO HG2 H -11.578 -1.468 -0.367 1.00 . A A . 11 PRO HG2 1 1 9 4004 1 1 11 PRO HG3 H -11.306 -1.556 -2.113 1.00 . A A . 11 PRO HG3 1 1 9 4005 1 1 11 PRO N N -10.332 1.167 -0.780 1.00 . A A . 11 PRO N 1 1 9 4006 1 1 11 PRO O O -12.361 2.585 1.235 1.00 . A A . 11 PRO O 1 1 9 4007 1 1 12 ALA C C -12.247 -0.232 3.592 1.00 . A A . 12 ALA C 1 1 9 4008 1 1 12 ALA CA C -13.230 0.457 2.643 1.00 . A A . 12 ALA CA 1 1 9 4009 1 1 12 ALA CB C -14.554 -0.307 2.596 1.00 . A A . 12 ALA CB 1 1 9 4010 1 1 12 ALA H H -12.667 -0.437 0.765 1.00 . A A . 12 ALA H 1 1 9 4011 1 1 12 ALA HA H -13.403 1.477 2.952 1.00 . A A . 12 ALA HA 1 1 9 4012 1 1 12 ALA HB1 H -14.659 -0.901 3.493 1.00 . A A . 12 ALA HB1 1 1 9 4013 1 1 12 ALA HB2 H -14.565 -0.955 1.732 1.00 . A A . 12 ALA HB2 1 1 9 4014 1 1 12 ALA HB3 H -15.374 0.394 2.531 1.00 . A A . 12 ALA HB3 1 1 9 4015 1 1 12 ALA N N -12.712 0.416 1.245 1.00 . A A . 12 ALA N 1 1 9 4016 1 1 12 ALA O O -11.446 0.407 4.243 1.00 . A A . 12 ALA O 1 1 9 4017 1 1 13 GLY C C -10.057 -2.541 3.841 1.00 . A A . 13 GLY C 1 1 9 4018 1 1 13 GLY CA C -11.367 -2.261 4.578 1.00 . A A . 13 GLY CA 1 1 9 4019 1 1 13 GLY H H -12.953 -2.033 3.139 1.00 . A A . 13 GLY H 1 1 9 4020 1 1 13 GLY HA2 H -11.170 -1.655 5.452 1.00 . A A . 13 GLY HA2 1 1 9 4021 1 1 13 GLY HA3 H -11.813 -3.196 4.880 1.00 . A A . 13 GLY HA3 1 1 9 4022 1 1 13 GLY N N -12.301 -1.534 3.672 1.00 . A A . 13 GLY N 1 1 9 4023 1 1 13 GLY O O -9.069 -1.860 4.030 1.00 . A A . 13 GLY O 1 1 9 4024 1 1 14 SER C C -7.579 -3.798 3.181 1.00 . A A . 14 SER C 1 1 9 4025 1 1 14 SER CA C -8.791 -3.858 2.248 1.00 . A A . 14 SER CA 1 1 9 4026 1 1 14 SER CB C -8.687 -2.776 1.176 1.00 . A A . 14 SER CB 1 1 9 4027 1 1 14 SER H H -10.847 -4.075 2.857 1.00 . A A . 14 SER H 1 1 9 4028 1 1 14 SER HA H -8.866 -4.829 1.784 1.00 . A A . 14 SER HA 1 1 9 4029 1 1 14 SER HB2 H -9.521 -2.100 1.262 1.00 . A A . 14 SER HB2 1 1 9 4030 1 1 14 SER HB3 H -7.764 -2.226 1.312 1.00 . A A . 14 SER HB3 1 1 9 4031 1 1 14 SER HG H -9.148 -2.784 -0.714 1.00 . A A . 14 SER HG 1 1 9 4032 1 1 14 SER N N -10.039 -3.538 2.998 1.00 . A A . 14 SER N 1 1 9 4033 1 1 14 SER O O -7.701 -3.933 4.382 1.00 . A A . 14 SER O 1 1 9 4034 1 1 14 SER OG O -8.706 -3.384 -0.109 1.00 . A A . 14 SER OG 1 1 9 4035 1 1 15 THR C C -4.041 -2.875 2.717 1.00 . A A . 15 THR C 1 1 9 4036 1 1 15 THR CA C -5.192 -3.519 3.490 1.00 . A A . 15 THR CA 1 1 9 4037 1 1 15 THR CB C -4.856 -4.972 3.830 1.00 . A A . 15 THR CB 1 1 9 4038 1 1 15 THR CG2 C -3.748 -5.005 4.885 1.00 . A A . 15 THR CG2 1 1 9 4039 1 1 15 THR H H -6.336 -3.484 1.664 1.00 . A A . 15 THR H 1 1 9 4040 1 1 15 THR HA H -5.398 -2.967 4.391 1.00 . A A . 15 THR HA 1 1 9 4041 1 1 15 THR HB H -4.514 -5.479 2.941 1.00 . A A . 15 THR HB 1 1 9 4042 1 1 15 THR HG1 H -5.835 -5.939 5.212 1.00 . A A . 15 THR HG1 1 1 9 4043 1 1 15 THR HG21 H -3.719 -5.980 5.346 1.00 . A A . 15 THR HG21 1 1 9 4044 1 1 15 THR HG22 H -3.945 -4.256 5.639 1.00 . A A . 15 THR HG22 1 1 9 4045 1 1 15 THR HG23 H -2.797 -4.800 4.416 1.00 . A A . 15 THR HG23 1 1 9 4046 1 1 15 THR N N -6.411 -3.592 2.635 1.00 . A A . 15 THR N 1 1 9 4047 1 1 15 THR O O -3.747 -3.243 1.598 1.00 . A A . 15 THR O 1 1 9 4048 1 1 15 THR OG1 O -6.020 -5.620 4.326 1.00 . A A . 15 THR OG1 1 1 9 4049 1 1 16 CYS C C -0.980 -2.094 2.751 1.00 . A A . 16 CYS C 1 1 9 4050 1 1 16 CYS CA C -2.250 -1.255 2.606 1.00 . A A . 16 CYS CA 1 1 9 4051 1 1 16 CYS CB C -2.089 0.096 3.299 1.00 . A A . 16 CYS CB 1 1 9 4052 1 1 16 CYS H H -3.633 -1.635 4.213 1.00 . A A . 16 CYS H 1 1 9 4053 1 1 16 CYS HA H -2.489 -1.109 1.564 1.00 . A A . 16 CYS HA 1 1 9 4054 1 1 16 CYS HB2 H -2.436 0.022 4.318 1.00 . A A . 16 CYS HB2 1 1 9 4055 1 1 16 CYS HB3 H -1.048 0.382 3.290 1.00 . A A . 16 CYS HB3 1 1 9 4056 1 1 16 CYS N N -3.383 -1.917 3.308 1.00 . A A . 16 CYS N 1 1 9 4057 1 1 16 CYS O O -0.562 -2.420 3.845 1.00 . A A . 16 CYS O 1 1 9 4058 1 1 16 CYS SG S -3.062 1.338 2.416 1.00 . A A . 16 CYS SG 1 1 9 4059 1 1 17 SER C C 2.114 -2.385 1.697 1.00 . A A . 17 SER C 1 1 9 4060 1 1 17 SER CA C 0.871 -3.277 1.731 1.00 . A A . 17 SER CA 1 1 9 4061 1 1 17 SER CB C 0.822 -4.168 0.493 1.00 . A A . 17 SER CB 1 1 9 4062 1 1 17 SER H H -0.725 -2.183 0.785 1.00 . A A . 17 SER H 1 1 9 4063 1 1 17 SER HA H 0.867 -3.885 2.622 1.00 . A A . 17 SER HA 1 1 9 4064 1 1 17 SER HB2 H 0.961 -3.567 -0.390 1.00 . A A . 17 SER HB2 1 1 9 4065 1 1 17 SER HB3 H 1.610 -4.907 0.551 1.00 . A A . 17 SER HB3 1 1 9 4066 1 1 17 SER HG H -0.576 -5.112 -0.474 1.00 . A A . 17 SER HG 1 1 9 4067 1 1 17 SER N N -0.368 -2.452 1.656 1.00 . A A . 17 SER N 1 1 9 4068 1 1 17 SER O O 2.102 -1.260 2.157 1.00 . A A . 17 SER O 1 1 9 4069 1 1 17 SER OG O -0.445 -4.809 0.427 1.00 . A A . 17 SER OG 1 1 9 4070 1 1 18 SER C C 5.605 -2.996 0.655 1.00 . A A . 18 SER C 1 1 9 4071 1 1 18 SER CA C 4.448 -2.089 1.079 1.00 . A A . 18 SER CA 1 1 9 4072 1 1 18 SER CB C 4.670 -1.554 2.494 1.00 . A A . 18 SER CB 1 1 9 4073 1 1 18 SER H H 3.167 -3.797 0.790 1.00 . A A . 18 SER H 1 1 9 4074 1 1 18 SER HA H 4.336 -1.272 0.386 1.00 . A A . 18 SER HA 1 1 9 4075 1 1 18 SER HB2 H 4.064 -0.676 2.648 1.00 . A A . 18 SER HB2 1 1 9 4076 1 1 18 SER HB3 H 4.389 -2.313 3.212 1.00 . A A . 18 SER HB3 1 1 9 4077 1 1 18 SER HG H 6.159 -0.313 2.339 1.00 . A A . 18 SER HG 1 1 9 4078 1 1 18 SER N N 3.188 -2.887 1.153 1.00 . A A . 18 SER N 1 1 9 4079 1 1 18 SER O O 6.638 -3.047 1.293 1.00 . A A . 18 SER O 1 1 9 4080 1 1 18 SER OG O 6.039 -1.211 2.656 1.00 . A A . 18 SER OG 1 1 9 4081 1 1 19 ALA C C 7.747 -3.879 -1.325 1.00 . A A . 19 ALA C 1 1 9 4082 1 1 19 ALA CA C 6.500 -4.648 -0.884 1.00 . A A . 19 ALA CA 1 1 9 4083 1 1 19 ALA CB C 5.890 -5.391 -2.071 1.00 . A A . 19 ALA CB 1 1 9 4084 1 1 19 ALA H H 4.582 -3.673 -0.897 1.00 . A A . 19 ALA H 1 1 9 4085 1 1 19 ALA HA H 6.750 -5.345 -0.110 1.00 . A A . 19 ALA HA 1 1 9 4086 1 1 19 ALA HB1 H 5.993 -6.456 -1.920 1.00 . A A . 19 ALA HB1 1 1 9 4087 1 1 19 ALA HB2 H 6.402 -5.104 -2.976 1.00 . A A . 19 ALA HB2 1 1 9 4088 1 1 19 ALA HB3 H 4.842 -5.140 -2.154 1.00 . A A . 19 ALA HB3 1 1 9 4089 1 1 19 ALA N N 5.428 -3.723 -0.412 1.00 . A A . 19 ALA N 1 1 9 4090 1 1 19 ALA O O 7.911 -2.715 -1.023 1.00 . A A . 19 ALA O 1 1 9 4091 1 1 20 PHE C C 10.395 -4.523 -3.779 1.00 . A A . 20 PHE C 1 1 9 4092 1 1 20 PHE CA C 9.879 -3.859 -2.498 1.00 . A A . 20 PHE CA 1 1 9 4093 1 1 20 PHE CB C 10.878 -4.052 -1.358 1.00 . A A . 20 PHE CB 1 1 9 4094 1 1 20 PHE CD1 C 10.951 -1.682 -0.513 1.00 . A A . 20 PHE CD1 1 1 9 4095 1 1 20 PHE CD2 C 10.035 -3.407 0.924 1.00 . A A . 20 PHE CD2 1 1 9 4096 1 1 20 PHE CE1 C 10.705 -0.726 0.478 1.00 . A A . 20 PHE CE1 1 1 9 4097 1 1 20 PHE CE2 C 9.789 -2.450 1.915 1.00 . A A . 20 PHE CE2 1 1 9 4098 1 1 20 PHE CG C 10.616 -3.023 -0.289 1.00 . A A . 20 PHE CG 1 1 9 4099 1 1 20 PHE CZ C 10.123 -1.109 1.692 1.00 . A A . 20 PHE CZ 1 1 9 4100 1 1 20 PHE H H 8.475 -5.475 -2.257 1.00 . A A . 20 PHE H 1 1 9 4101 1 1 20 PHE HA H 9.705 -2.808 -2.661 1.00 . A A . 20 PHE HA 1 1 9 4102 1 1 20 PHE HB2 H 10.762 -5.042 -0.942 1.00 . A A . 20 PHE HB2 1 1 9 4103 1 1 20 PHE HB3 H 11.883 -3.934 -1.735 1.00 . A A . 20 PHE HB3 1 1 9 4104 1 1 20 PHE HD1 H 11.399 -1.387 -1.451 1.00 . A A . 20 PHE HD1 1 1 9 4105 1 1 20 PHE HD2 H 9.778 -4.442 1.096 1.00 . A A . 20 PHE HD2 1 1 9 4106 1 1 20 PHE HE1 H 10.964 0.308 0.305 1.00 . A A . 20 PHE HE1 1 1 9 4107 1 1 20 PHE HE2 H 9.339 -2.746 2.851 1.00 . A A . 20 PHE HE2 1 1 9 4108 1 1 20 PHE HZ H 9.933 -0.371 2.457 1.00 . A A . 20 PHE HZ 1 1 9 4109 1 1 20 PHE N N 8.631 -4.533 -2.034 1.00 . A A . 20 PHE N 1 1 9 4110 1 1 20 PHE O O 10.097 -4.093 -4.875 1.00 . A A . 20 PHE O 1 1 9 4111 1 1 21 GLY C C 12.711 -7.323 -4.432 1.00 . A A . 21 GLY C 1 1 9 4112 1 1 21 GLY CA C 11.700 -6.257 -4.856 1.00 . A A . 21 GLY CA 1 1 9 4113 1 1 21 GLY H H 11.396 -5.899 -2.753 1.00 . A A . 21 GLY H 1 1 9 4114 1 1 21 GLY HA2 H 10.886 -6.724 -5.392 1.00 . A A . 21 GLY HA2 1 1 9 4115 1 1 21 GLY HA3 H 12.188 -5.537 -5.495 1.00 . A A . 21 GLY HA3 1 1 9 4116 1 1 21 GLY N N 11.166 -5.568 -3.648 1.00 . A A . 21 GLY N 1 1 9 4117 1 1 21 GLY O O 12.447 -8.506 -4.504 1.00 . A A . 21 GLY O 1 1 9 4118 1 1 22 PHE C C 15.627 -7.393 -2.312 1.00 . A A . 22 PHE C 1 1 9 4119 1 1 22 PHE CA C 14.896 -7.906 -3.562 1.00 . A A . 22 PHE CA 1 1 9 4120 1 1 22 PHE CB C 15.836 -8.040 -4.777 1.00 . A A . 22 PHE CB 1 1 9 4121 1 1 22 PHE CD1 C 17.444 -6.092 -4.754 1.00 . A A . 22 PHE CD1 1 1 9 4122 1 1 22 PHE CD2 C 18.214 -8.248 -3.954 1.00 . A A . 22 PHE CD2 1 1 9 4123 1 1 22 PHE CE1 C 18.705 -5.544 -4.485 1.00 . A A . 22 PHE CE1 1 1 9 4124 1 1 22 PHE CE2 C 19.474 -7.699 -3.686 1.00 . A A . 22 PHE CE2 1 1 9 4125 1 1 22 PHE CG C 17.199 -7.444 -4.488 1.00 . A A . 22 PHE CG 1 1 9 4126 1 1 22 PHE CZ C 19.720 -6.347 -3.951 1.00 . A A . 22 PHE CZ 1 1 9 4127 1 1 22 PHE H H 14.063 -5.955 -3.939 1.00 . A A . 22 PHE H 1 1 9 4128 1 1 22 PHE HA H 14.428 -8.857 -3.355 1.00 . A A . 22 PHE HA 1 1 9 4129 1 1 22 PHE HB2 H 15.952 -9.084 -5.022 1.00 . A A . 22 PHE HB2 1 1 9 4130 1 1 22 PHE HB3 H 15.396 -7.527 -5.620 1.00 . A A . 22 PHE HB3 1 1 9 4131 1 1 22 PHE HD1 H 16.663 -5.471 -5.165 1.00 . A A . 22 PHE HD1 1 1 9 4132 1 1 22 PHE HD2 H 18.026 -9.291 -3.748 1.00 . A A . 22 PHE HD2 1 1 9 4133 1 1 22 PHE HE1 H 18.894 -4.500 -4.691 1.00 . A A . 22 PHE HE1 1 1 9 4134 1 1 22 PHE HE2 H 20.257 -8.318 -3.274 1.00 . A A . 22 PHE HE2 1 1 9 4135 1 1 22 PHE HZ H 20.692 -5.924 -3.746 1.00 . A A . 22 PHE HZ 1 1 9 4136 1 1 22 PHE N N 13.869 -6.915 -3.990 1.00 . A A . 22 PHE N 1 1 9 4137 1 1 22 PHE O O 15.945 -8.144 -1.411 1.00 . A A . 22 PHE O 1 1 9 4138 1 1 23 ARG C C 15.750 -4.438 -0.447 1.00 . A A . 23 ARG C 1 1 9 4139 1 1 23 ARG CA C 16.597 -5.548 -1.077 1.00 . A A . 23 ARG CA 1 1 9 4140 1 1 23 ARG CB C 17.903 -4.982 -1.635 1.00 . A A . 23 ARG CB 1 1 9 4141 1 1 23 ARG CD C 19.736 -5.174 0.053 1.00 . A A . 23 ARG CD 1 1 9 4142 1 1 23 ARG CG C 18.662 -4.250 -0.527 1.00 . A A . 23 ARG CG 1 1 9 4143 1 1 23 ARG CZ C 22.059 -4.560 0.363 1.00 . A A . 23 ARG CZ 1 1 9 4144 1 1 23 ARG H H 15.624 -5.530 -2.996 1.00 . A A . 23 ARG H 1 1 9 4145 1 1 23 ARG HA H 16.808 -6.319 -0.354 1.00 . A A . 23 ARG HA 1 1 9 4146 1 1 23 ARG HB2 H 18.511 -5.790 -2.017 1.00 . A A . 23 ARG HB2 1 1 9 4147 1 1 23 ARG HB3 H 17.683 -4.291 -2.434 1.00 . A A . 23 ARG HB3 1 1 9 4148 1 1 23 ARG HD2 H 19.327 -5.758 0.865 1.00 . A A . 23 ARG HD2 1 1 9 4149 1 1 23 ARG HD3 H 20.132 -5.820 -0.716 1.00 . A A . 23 ARG HD3 1 1 9 4150 1 1 23 ARG HE H 20.561 -3.438 1.025 1.00 . A A . 23 ARG HE 1 1 9 4151 1 1 23 ARG HG2 H 19.130 -3.365 -0.936 1.00 . A A . 23 ARG HG2 1 1 9 4152 1 1 23 ARG HG3 H 17.974 -3.965 0.255 1.00 . A A . 23 ARG HG3 1 1 9 4153 1 1 23 ARG HH11 H 21.750 -6.539 0.379 1.00 . A A . 23 ARG HH11 1 1 9 4154 1 1 23 ARG HH12 H 23.393 -6.040 0.145 1.00 . A A . 23 ARG HH12 1 1 9 4155 1 1 23 ARG HH21 H 22.661 -2.651 0.304 1.00 . A A . 23 ARG HH21 1 1 9 4156 1 1 23 ARG HH22 H 23.908 -3.836 0.102 1.00 . A A . 23 ARG HH22 1 1 9 4157 1 1 23 ARG N N 15.891 -6.117 -2.257 1.00 . A A . 23 ARG N 1 1 9 4158 1 1 23 ARG NE N 20.803 -4.262 0.552 1.00 . A A . 23 ARG NE 1 1 9 4159 1 1 23 ARG NH1 N 22.430 -5.810 0.290 1.00 . A A . 23 ARG NH1 1 1 9 4160 1 1 23 ARG NH2 N 22.945 -3.608 0.247 1.00 . A A . 23 ARG NH2 1 1 9 4161 1 1 23 ARG O O 15.001 -4.666 0.482 1.00 . A A . 23 ARG O 1 1 9 4162 1 1 24 ASN C C 15.274 -0.841 -1.198 1.00 . A A . 24 ASN C 1 1 9 4163 1 1 24 ASN CA C 15.054 -2.119 -0.382 1.00 . A A . 24 ASN CA 1 1 9 4164 1 1 24 ASN CB C 15.568 -1.946 1.048 1.00 . A A . 24 ASN CB 1 1 9 4165 1 1 24 ASN CG C 14.423 -2.185 2.037 1.00 . A A . 24 ASN CG 1 1 9 4166 1 1 24 ASN H H 16.464 -3.074 -1.702 1.00 . A A . 24 ASN H 1 1 9 4167 1 1 24 ASN HA H 14.007 -2.379 -0.367 1.00 . A A . 24 ASN HA 1 1 9 4168 1 1 24 ASN HB2 H 16.361 -2.655 1.233 1.00 . A A . 24 ASN HB2 1 1 9 4169 1 1 24 ASN HB3 H 15.945 -0.942 1.174 1.00 . A A . 24 ASN HB3 1 1 9 4170 1 1 24 ASN HD21 H 14.947 -4.065 2.414 1.00 . A A . 24 ASN HD21 1 1 9 4171 1 1 24 ASN HD22 H 13.577 -3.512 3.252 1.00 . A A . 24 ASN HD22 1 1 9 4172 1 1 24 ASN N N 15.858 -3.238 -0.950 1.00 . A A . 24 ASN N 1 1 9 4173 1 1 24 ASN ND2 N 14.305 -3.352 2.615 1.00 . A A . 24 ASN ND2 1 1 9 4174 1 1 24 ASN O O 15.632 0.192 -0.668 1.00 . A A . 24 ASN O 1 1 9 4175 1 1 24 ASN OD1 O 13.628 -1.303 2.287 1.00 . A A . 24 ASN OD1 1 1 9 4176 1 1 25 LEU C C 13.896 0.986 -3.585 1.00 . A A . 25 LEU C 1 1 9 4177 1 1 25 LEU CA C 15.245 0.303 -3.339 1.00 . A A . 25 LEU CA 1 1 9 4178 1 1 25 LEU CB C 15.814 -0.220 -4.658 1.00 . A A . 25 LEU CB 1 1 9 4179 1 1 25 LEU CD1 C 17.418 -1.827 -5.683 1.00 . A A . 25 LEU CD1 1 1 9 4180 1 1 25 LEU CD2 C 18.182 -0.295 -3.866 1.00 . A A . 25 LEU CD2 1 1 9 4181 1 1 25 LEU CG C 17.010 -1.131 -4.385 1.00 . A A . 25 LEU CG 1 1 9 4182 1 1 25 LEU H H 14.762 -1.748 -2.889 1.00 . A A . 25 LEU H 1 1 9 4183 1 1 25 LEU HA H 15.940 0.989 -2.881 1.00 . A A . 25 LEU HA 1 1 9 4184 1 1 25 LEU HB2 H 15.050 -0.777 -5.181 1.00 . A A . 25 LEU HB2 1 1 9 4185 1 1 25 LEU HB3 H 16.131 0.612 -5.267 1.00 . A A . 25 LEU HB3 1 1 9 4186 1 1 25 LEU HD11 H 16.881 -2.760 -5.777 1.00 . A A . 25 LEU HD11 1 1 9 4187 1 1 25 LEU HD12 H 18.480 -2.023 -5.671 1.00 . A A . 25 LEU HD12 1 1 9 4188 1 1 25 LEU HD13 H 17.179 -1.190 -6.523 1.00 . A A . 25 LEU HD13 1 1 9 4189 1 1 25 LEU HD21 H 18.997 -0.949 -3.590 1.00 . A A . 25 LEU HD21 1 1 9 4190 1 1 25 LEU HD22 H 17.868 0.271 -3.001 1.00 . A A . 25 LEU HD22 1 1 9 4191 1 1 25 LEU HD23 H 18.512 0.383 -4.639 1.00 . A A . 25 LEU HD23 1 1 9 4192 1 1 25 LEU HG H 16.738 -1.873 -3.648 1.00 . A A . 25 LEU HG 1 1 9 4193 1 1 25 LEU N N 15.056 -0.905 -2.484 1.00 . A A . 25 LEU N 1 1 9 4194 1 1 25 LEU O O 13.740 2.172 -3.379 1.00 . A A . 25 LEU O 1 1 9 4195 1 1 26 SER C C 10.492 -0.076 -3.702 1.00 . A A . 26 SER C 1 1 9 4196 1 1 26 SER CA C 11.579 0.827 -4.290 1.00 . A A . 26 SER CA 1 1 9 4197 1 1 26 SER CB C 11.461 0.890 -5.811 1.00 . A A . 26 SER CB 1 1 9 4198 1 1 26 SER H H 13.075 -0.718 -4.185 1.00 . A A . 26 SER H 1 1 9 4199 1 1 26 SER HA H 11.514 1.820 -3.872 1.00 . A A . 26 SER HA 1 1 9 4200 1 1 26 SER HB2 H 11.106 -0.055 -6.186 1.00 . A A . 26 SER HB2 1 1 9 4201 1 1 26 SER HB3 H 10.760 1.668 -6.084 1.00 . A A . 26 SER HB3 1 1 9 4202 1 1 26 SER HG H 12.643 1.203 -7.324 1.00 . A A . 26 SER HG 1 1 9 4203 1 1 26 SER N N 12.922 0.236 -4.026 1.00 . A A . 26 SER N 1 1 9 4204 1 1 26 SER O O 10.482 -1.272 -3.919 1.00 . A A . 26 SER O 1 1 9 4205 1 1 26 SER OG O 12.738 1.169 -6.370 1.00 . A A . 26 SER OG 1 1 9 4206 1 1 27 LEU C C 7.779 -1.164 -3.418 1.00 . A A . 27 LEU C 1 1 9 4207 1 1 27 LEU CA C 8.506 -0.349 -2.345 1.00 . A A . 27 LEU CA 1 1 9 4208 1 1 27 LEU CB C 7.553 0.654 -1.700 1.00 . A A . 27 LEU CB 1 1 9 4209 1 1 27 LEU CD1 C 8.178 3.038 -1.282 1.00 . A A . 27 LEU CD1 1 1 9 4210 1 1 27 LEU CD2 C 7.825 1.481 0.640 1.00 . A A . 27 LEU CD2 1 1 9 4211 1 1 27 LEU CG C 8.346 1.598 -0.795 1.00 . A A . 27 LEU CG 1 1 9 4212 1 1 27 LEU H H 9.613 1.448 -2.784 1.00 . A A . 27 LEU H 1 1 9 4213 1 1 27 LEU HA H 8.916 -0.999 -1.590 1.00 . A A . 27 LEU HA 1 1 9 4214 1 1 27 LEU HB2 H 7.054 1.224 -2.471 1.00 . A A . 27 LEU HB2 1 1 9 4215 1 1 27 LEU HB3 H 6.821 0.125 -1.111 1.00 . A A . 27 LEU HB3 1 1 9 4216 1 1 27 LEU HD11 H 8.881 3.676 -0.765 1.00 . A A . 27 LEU HD11 1 1 9 4217 1 1 27 LEU HD12 H 7.172 3.373 -1.079 1.00 . A A . 27 LEU HD12 1 1 9 4218 1 1 27 LEU HD13 H 8.366 3.083 -2.345 1.00 . A A . 27 LEU HD13 1 1 9 4219 1 1 27 LEU HD21 H 8.658 1.341 1.315 1.00 . A A . 27 LEU HD21 1 1 9 4220 1 1 27 LEU HD22 H 7.158 0.635 0.714 1.00 . A A . 27 LEU HD22 1 1 9 4221 1 1 27 LEU HD23 H 7.293 2.382 0.907 1.00 . A A . 27 LEU HD23 1 1 9 4222 1 1 27 LEU HG H 9.391 1.328 -0.823 1.00 . A A . 27 LEU HG 1 1 9 4223 1 1 27 LEU N N 9.584 0.483 -2.953 1.00 . A A . 27 LEU N 1 1 9 4224 1 1 27 LEU O O 7.819 -2.378 -3.422 1.00 . A A . 27 LEU O 1 1 9 4225 1 1 28 VAL C C 5.305 -2.159 -4.770 1.00 . A A . 28 VAL C 1 1 9 4226 1 1 28 VAL CA C 6.375 -1.247 -5.392 1.00 . A A . 28 VAL CA 1 1 9 4227 1 1 28 VAL CB C 7.464 -2.056 -6.119 1.00 . A A . 28 VAL CB 1 1 9 4228 1 1 28 VAL CG1 C 6.908 -3.399 -6.608 1.00 . A A . 28 VAL CG1 1 1 9 4229 1 1 28 VAL CG2 C 7.964 -1.256 -7.323 1.00 . A A . 28 VAL CG2 1 1 9 4230 1 1 28 VAL H H 7.082 0.473 -4.301 1.00 . A A . 28 VAL H 1 1 9 4231 1 1 28 VAL HA H 5.919 -0.552 -6.080 1.00 . A A . 28 VAL HA 1 1 9 4232 1 1 28 VAL HB H 8.288 -2.235 -5.443 1.00 . A A . 28 VAL HB 1 1 9 4233 1 1 28 VAL HG11 H 7.083 -4.156 -5.858 1.00 . A A . 28 VAL HG11 1 1 9 4234 1 1 28 VAL HG12 H 7.403 -3.681 -7.525 1.00 . A A . 28 VAL HG12 1 1 9 4235 1 1 28 VAL HG13 H 5.847 -3.306 -6.786 1.00 . A A . 28 VAL HG13 1 1 9 4236 1 1 28 VAL HG21 H 8.963 -1.575 -7.579 1.00 . A A . 28 VAL HG21 1 1 9 4237 1 1 28 VAL HG22 H 7.974 -0.204 -7.076 1.00 . A A . 28 VAL HG22 1 1 9 4238 1 1 28 VAL HG23 H 7.306 -1.422 -8.163 1.00 . A A . 28 VAL HG23 1 1 9 4239 1 1 28 VAL N N 7.108 -0.507 -4.325 1.00 . A A . 28 VAL N 1 1 9 4240 1 1 28 VAL O O 5.589 -3.259 -4.336 1.00 . A A . 28 VAL O 1 1 9 4241 1 1 29 TRP C C 1.649 -1.803 -4.212 1.00 . A A . 29 TRP C 1 1 9 4242 1 1 29 TRP CA C 2.985 -2.549 -4.151 1.00 . A A . 29 TRP CA 1 1 9 4243 1 1 29 TRP CB C 3.388 -2.791 -2.698 1.00 . A A . 29 TRP CB 1 1 9 4244 1 1 29 TRP CD1 C 4.743 -0.769 -2.045 1.00 . A A . 29 TRP CD1 1 1 9 4245 1 1 29 TRP CD2 C 2.667 -0.717 -1.182 1.00 . A A . 29 TRP CD2 1 1 9 4246 1 1 29 TRP CE2 C 3.316 0.465 -0.753 1.00 . A A . 29 TRP CE2 1 1 9 4247 1 1 29 TRP CE3 C 1.340 -0.928 -0.769 1.00 . A A . 29 TRP CE3 1 1 9 4248 1 1 29 TRP CG C 3.597 -1.479 -2.010 1.00 . A A . 29 TRP CG 1 1 9 4249 1 1 29 TRP CH2 C 1.356 1.170 0.460 1.00 . A A . 29 TRP CH2 1 1 9 4250 1 1 29 TRP CZ2 C 2.672 1.401 0.056 1.00 . A A . 29 TRP CZ2 1 1 9 4251 1 1 29 TRP CZ3 C 0.693 0.009 0.047 1.00 . A A . 29 TRP CZ3 1 1 9 4252 1 1 29 TRP H H 3.871 -0.824 -5.096 1.00 . A A . 29 TRP H 1 1 9 4253 1 1 29 TRP HA H 2.914 -3.490 -4.674 1.00 . A A . 29 TRP HA 1 1 9 4254 1 1 29 TRP HB2 H 2.609 -3.342 -2.194 1.00 . A A . 29 TRP HB2 1 1 9 4255 1 1 29 TRP HB3 H 4.305 -3.359 -2.674 1.00 . A A . 29 TRP HB3 1 1 9 4256 1 1 29 TRP HD1 H 5.640 -1.060 -2.566 1.00 . A A . 29 TRP HD1 1 1 9 4257 1 1 29 TRP HE1 H 5.256 1.083 -1.179 1.00 . A A . 29 TRP HE1 1 1 9 4258 1 1 29 TRP HE3 H 0.812 -1.814 -1.079 1.00 . A A . 29 TRP HE3 1 1 9 4259 1 1 29 TRP HH2 H 0.849 1.887 1.089 1.00 . A A . 29 TRP HH2 1 1 9 4260 1 1 29 TRP HZ2 H 3.189 2.295 0.372 1.00 . A A . 29 TRP HZ2 1 1 9 4261 1 1 29 TRP HZ3 H -0.320 -0.172 0.363 1.00 . A A . 29 TRP HZ3 1 1 9 4262 1 1 29 TRP N N 4.077 -1.710 -4.733 1.00 . A A . 29 TRP N 1 1 9 4263 1 1 29 TRP NE1 N 4.576 0.390 -1.307 1.00 . A A . 29 TRP NE1 1 1 9 4264 1 1 29 TRP O O 1.479 -0.874 -4.977 1.00 . A A . 29 TRP O 1 1 9 4265 1 1 30 GLY C C -1.500 -2.079 -2.294 1.00 . A A . 30 GLY C 1 1 9 4266 1 1 30 GLY CA C -0.623 -1.518 -3.415 1.00 . A A . 30 GLY CA 1 1 9 4267 1 1 30 GLY H H 0.859 -2.952 -2.797 1.00 . A A . 30 GLY H 1 1 9 4268 1 1 30 GLY HA2 H -0.480 -0.456 -3.266 1.00 . A A . 30 GLY HA2 1 1 9 4269 1 1 30 GLY HA3 H -1.109 -1.684 -4.364 1.00 . A A . 30 GLY HA3 1 1 9 4270 1 1 30 GLY N N 0.700 -2.202 -3.407 1.00 . A A . 30 GLY N 1 1 9 4271 1 1 30 GLY O O -1.104 -2.971 -1.569 1.00 . A A . 30 GLY O 1 1 9 4272 1 1 31 CYS C C -4.142 -3.446 -1.445 1.00 . A A . 31 CYS C 1 1 9 4273 1 1 31 CYS CA C -3.597 -2.064 -1.073 1.00 . A A . 31 CYS CA 1 1 9 4274 1 1 31 CYS CB C -4.735 -1.043 -1.012 1.00 . A A . 31 CYS CB 1 1 9 4275 1 1 31 CYS H H -2.989 -0.844 -2.741 1.00 . A A . 31 CYS H 1 1 9 4276 1 1 31 CYS HA H -3.083 -2.101 -0.126 1.00 . A A . 31 CYS HA 1 1 9 4277 1 1 31 CYS HB2 H -4.380 -0.089 -1.372 1.00 . A A . 31 CYS HB2 1 1 9 4278 1 1 31 CYS HB3 H -5.553 -1.380 -1.632 1.00 . A A . 31 CYS HB3 1 1 9 4279 1 1 31 CYS N N -2.690 -1.563 -2.145 1.00 . A A . 31 CYS N 1 1 9 4280 1 1 31 CYS O O -4.544 -3.683 -2.567 1.00 . A A . 31 CYS O 1 1 9 4281 1 1 31 CYS SG S -5.303 -0.869 0.698 1.00 . A A . 31 CYS SG 1 1 9 4282 1 1 32 SER C C -6.165 -5.804 -0.400 1.00 . A A . 32 SER C 1 1 9 4283 1 1 32 SER CA C -4.691 -5.718 -0.811 1.00 . A A . 32 SER CA 1 1 9 4284 1 1 32 SER CB C -3.839 -6.667 0.032 1.00 . A A . 32 SER CB 1 1 9 4285 1 1 32 SER H H -3.842 -4.143 0.389 1.00 . A A . 32 SER H 1 1 9 4286 1 1 32 SER HA H -4.574 -5.947 -1.858 1.00 . A A . 32 SER HA 1 1 9 4287 1 1 32 SER HB2 H -3.680 -7.585 -0.507 1.00 . A A . 32 SER HB2 1 1 9 4288 1 1 32 SER HB3 H -2.883 -6.202 0.239 1.00 . A A . 32 SER HB3 1 1 9 4289 1 1 32 SER HG H -4.185 -7.787 1.585 1.00 . A A . 32 SER HG 1 1 9 4290 1 1 32 SER N N -4.166 -4.356 -0.511 1.00 . A A . 32 SER N 1 1 9 4291 1 1 32 SER O O -6.517 -5.473 0.715 1.00 . A A . 32 SER O 1 1 9 4292 1 1 32 SER OG O -4.516 -6.950 1.249 1.00 . A A . 32 SER OG 1 1 9 4293 1 1 33 PRO C C -8.726 -7.534 -0.114 1.00 . A A . 33 PRO C 1 1 9 4294 1 1 33 PRO CA C -8.437 -6.359 -1.055 1.00 . A A . 33 PRO CA 1 1 9 4295 1 1 33 PRO CB C -9.032 -6.609 -2.438 1.00 . A A . 33 PRO CB 1 1 9 4296 1 1 33 PRO CD C -6.631 -6.658 -2.683 1.00 . A A . 33 PRO CD 1 1 9 4297 1 1 33 PRO CG C -7.920 -7.206 -3.238 1.00 . A A . 33 PRO CG 1 1 9 4298 1 1 33 PRO HA H -8.825 -5.441 -0.648 1.00 . A A . 33 PRO HA 1 1 9 4299 1 1 33 PRO HB2 H -9.862 -7.300 -2.369 1.00 . A A . 33 PRO HB2 1 1 9 4300 1 1 33 PRO HB3 H -9.351 -5.680 -2.885 1.00 . A A . 33 PRO HB3 1 1 9 4301 1 1 33 PRO HD2 H -5.871 -7.428 -2.662 1.00 . A A . 33 PRO HD2 1 1 9 4302 1 1 33 PRO HD3 H -6.299 -5.809 -3.260 1.00 . A A . 33 PRO HD3 1 1 9 4303 1 1 33 PRO HG2 H -7.937 -8.284 -3.145 1.00 . A A . 33 PRO HG2 1 1 9 4304 1 1 33 PRO HG3 H -8.017 -6.924 -4.275 1.00 . A A . 33 PRO HG3 1 1 9 4305 1 1 33 PRO N N -6.981 -6.240 -1.321 1.00 . A A . 33 PRO N 1 1 9 4306 1 1 33 PRO O O -9.439 -8.453 -0.465 1.00 . A A . 33 PRO O 1 1 9 4307 1 1 34 VAL C C -8.596 -9.951 1.369 1.00 . A A . 34 VAL C 1 1 9 4308 1 1 34 VAL CA C -8.415 -8.599 2.068 1.00 . A A . 34 VAL CA 1 1 9 4309 1 1 34 VAL CB C -9.693 -8.201 2.811 1.00 . A A . 34 VAL CB 1 1 9 4310 1 1 34 VAL CG1 C -10.883 -8.227 1.850 1.00 . A A . 34 VAL CG1 1 1 9 4311 1 1 34 VAL CG2 C -9.946 -9.187 3.952 1.00 . A A . 34 VAL CG2 1 1 9 4312 1 1 34 VAL H H -7.618 -6.737 1.327 1.00 . A A . 34 VAL H 1 1 9 4313 1 1 34 VAL HA H -7.594 -8.650 2.764 1.00 . A A . 34 VAL HA 1 1 9 4314 1 1 34 VAL HB H -9.578 -7.205 3.213 1.00 . A A . 34 VAL HB 1 1 9 4315 1 1 34 VAL HG11 H -10.984 -7.261 1.375 1.00 . A A . 34 VAL HG11 1 1 9 4316 1 1 34 VAL HG12 H -11.786 -8.452 2.401 1.00 . A A . 34 VAL HG12 1 1 9 4317 1 1 34 VAL HG13 H -10.723 -8.983 1.097 1.00 . A A . 34 VAL HG13 1 1 9 4318 1 1 34 VAL HG21 H -10.943 -9.595 3.862 1.00 . A A . 34 VAL HG21 1 1 9 4319 1 1 34 VAL HG22 H -9.853 -8.673 4.899 1.00 . A A . 34 VAL HG22 1 1 9 4320 1 1 34 VAL HG23 H -9.223 -9.989 3.904 1.00 . A A . 34 VAL HG23 1 1 9 4321 1 1 34 VAL N N -8.182 -7.498 1.077 1.00 . A A . 34 VAL N 1 1 9 4322 1 1 34 VAL O O -9.555 -10.659 1.605 1.00 . A A . 34 VAL O 1 1 9 4323 1 1 35 GLU C C -6.413 -12.177 -0.528 1.00 . A A . 35 GLU C 1 1 9 4324 1 1 35 GLU CA C -7.802 -11.627 -0.192 1.00 . A A . 35 GLU CA 1 1 9 4325 1 1 35 GLU CB C -8.585 -11.318 -1.471 1.00 . A A . 35 GLU CB 1 1 9 4326 1 1 35 GLU CD C -10.542 -12.875 -1.498 1.00 . A A . 35 GLU CD 1 1 9 4327 1 1 35 GLU CG C -9.140 -12.618 -2.055 1.00 . A A . 35 GLU CG 1 1 9 4328 1 1 35 GLU H H -6.911 -9.737 0.338 1.00 . A A . 35 GLU H 1 1 9 4329 1 1 35 GLU HA H -8.349 -12.332 0.413 1.00 . A A . 35 GLU HA 1 1 9 4330 1 1 35 GLU HB2 H -9.400 -10.649 -1.240 1.00 . A A . 35 GLU HB2 1 1 9 4331 1 1 35 GLU HB3 H -7.930 -10.853 -2.191 1.00 . A A . 35 GLU HB3 1 1 9 4332 1 1 35 GLU HG2 H -9.190 -12.536 -3.131 1.00 . A A . 35 GLU HG2 1 1 9 4333 1 1 35 GLU HG3 H -8.493 -13.440 -1.786 1.00 . A A . 35 GLU HG3 1 1 9 4334 1 1 35 GLU N N -7.680 -10.319 0.514 1.00 . A A . 35 GLU N 1 1 9 4335 1 1 35 GLU O O -5.740 -11.573 -1.346 1.00 . A A . 35 GLU O 1 1 9 4336 1 1 35 GLU OXT O -6.047 -13.194 0.039 1.00 . A A . 35 GLU OXT 1 1 9 4337 1 1 35 GLU OE1 O -11.104 -11.961 -0.918 1.00 . A A . 35 GLU OE1 1 1 9 4338 1 1 35 GLU OE2 O -11.029 -13.982 -1.662 1.00 . A A . 35 GLU OE2 1 1 10 4339 1 1 1 ASP C C -10.883 5.708 1.037 1.00 . A A . 1 ASP C 1 1 10 4340 1 1 1 ASP CA C -11.861 5.695 -0.143 1.00 . A A . 1 ASP CA 1 1 10 4341 1 1 1 ASP CB C -12.191 7.121 -0.586 1.00 . A A . 1 ASP CB 1 1 10 4342 1 1 1 ASP CG C -13.352 7.094 -1.583 1.00 . A A . 1 ASP CG 1 1 10 4343 1 1 1 ASP H1 H -13.747 4.917 -0.566 1.00 . A A . 1 ASP H1 1 1 10 4344 1 1 1 ASP H2 H -13.667 5.780 0.895 1.00 . A A . 1 ASP H2 1 1 10 4345 1 1 1 ASP H3 H -13.003 4.220 0.789 1.00 . A A . 1 ASP H3 1 1 10 4346 1 1 1 ASP HA H -11.447 5.139 -0.968 1.00 . A A . 1 ASP HA 1 1 10 4347 1 1 1 ASP HB2 H -12.468 7.710 0.277 1.00 . A A . 1 ASP HB2 1 1 10 4348 1 1 1 ASP HB3 H -11.324 7.560 -1.057 1.00 . A A . 1 ASP HB3 1 1 10 4349 1 1 1 ASP N N -13.169 5.108 0.276 1.00 . A A . 1 ASP N 1 1 10 4350 1 1 1 ASP O O -11.215 6.132 2.127 1.00 . A A . 1 ASP O 1 1 10 4351 1 1 1 ASP OD1 O -13.271 6.340 -2.538 1.00 . A A . 1 ASP OD1 1 1 10 4352 1 1 1 ASP OD2 O -14.304 7.830 -1.373 1.00 . A A . 1 ASP OD2 1 1 10 4353 1 1 2 HIS C C -7.260 5.367 1.376 1.00 . A A . 2 HIS C 1 1 10 4354 1 1 2 HIS CA C -8.680 5.230 1.937 1.00 . A A . 2 HIS CA 1 1 10 4355 1 1 2 HIS CB C -8.864 3.870 2.610 1.00 . A A . 2 HIS CB 1 1 10 4356 1 1 2 HIS CD2 C -10.159 4.902 4.649 1.00 . A A . 2 HIS CD2 1 1 10 4357 1 1 2 HIS CE1 C -9.213 3.765 6.232 1.00 . A A . 2 HIS CE1 1 1 10 4358 1 1 2 HIS CG C -9.246 4.071 4.051 1.00 . A A . 2 HIS CG 1 1 10 4359 1 1 2 HIS H H -9.432 4.908 -0.058 1.00 . A A . 2 HIS H 1 1 10 4360 1 1 2 HIS HA H -8.886 6.020 2.642 1.00 . A A . 2 HIS HA 1 1 10 4361 1 1 2 HIS HB2 H -9.643 3.320 2.103 1.00 . A A . 2 HIS HB2 1 1 10 4362 1 1 2 HIS HB3 H -7.939 3.315 2.559 1.00 . A A . 2 HIS HB3 1 1 10 4363 1 1 2 HIS HD1 H -7.959 2.671 4.983 1.00 . A A . 2 HIS HD1 1 1 10 4364 1 1 2 HIS HD2 H -10.798 5.603 4.130 1.00 . A A . 2 HIS HD2 1 1 10 4365 1 1 2 HIS HE1 H -8.947 3.380 7.205 1.00 . A A . 2 HIS HE1 1 1 10 4366 1 1 2 HIS N N -9.679 5.247 0.829 1.00 . A A . 2 HIS N 1 1 10 4367 1 1 2 HIS ND1 N -8.655 3.353 5.079 1.00 . A A . 2 HIS ND1 1 1 10 4368 1 1 2 HIS NE2 N -10.136 4.708 6.028 1.00 . A A . 2 HIS NE2 1 1 10 4369 1 1 2 HIS O O -7.062 5.462 0.181 1.00 . A A . 2 HIS O 1 1 10 4370 1 1 3 VAL C C -3.912 4.691 2.618 1.00 . A A . 3 VAL C 1 1 10 4371 1 1 3 VAL CA C -4.863 5.509 1.739 1.00 . A A . 3 VAL CA 1 1 10 4372 1 1 3 VAL CB C -4.546 7.002 1.842 1.00 . A A . 3 VAL CB 1 1 10 4373 1 1 3 VAL CG1 C -5.720 7.814 1.294 1.00 . A A . 3 VAL CG1 1 1 10 4374 1 1 3 VAL CG2 C -4.311 7.374 3.308 1.00 . A A . 3 VAL CG2 1 1 10 4375 1 1 3 VAL H H -6.448 5.301 3.189 1.00 . A A . 3 VAL H 1 1 10 4376 1 1 3 VAL HA H -4.792 5.189 0.714 1.00 . A A . 3 VAL HA 1 1 10 4377 1 1 3 VAL HB H -3.657 7.222 1.266 1.00 . A A . 3 VAL HB 1 1 10 4378 1 1 3 VAL HG11 H -6.515 7.835 2.025 1.00 . A A . 3 VAL HG11 1 1 10 4379 1 1 3 VAL HG12 H -6.079 7.357 0.384 1.00 . A A . 3 VAL HG12 1 1 10 4380 1 1 3 VAL HG13 H -5.394 8.823 1.087 1.00 . A A . 3 VAL HG13 1 1 10 4381 1 1 3 VAL HG21 H -4.710 8.358 3.498 1.00 . A A . 3 VAL HG21 1 1 10 4382 1 1 3 VAL HG22 H -3.251 7.368 3.517 1.00 . A A . 3 VAL HG22 1 1 10 4383 1 1 3 VAL HG23 H -4.807 6.656 3.945 1.00 . A A . 3 VAL HG23 1 1 10 4384 1 1 3 VAL N N -6.268 5.377 2.228 1.00 . A A . 3 VAL N 1 1 10 4385 1 1 3 VAL O O -4.054 4.644 3.824 1.00 . A A . 3 VAL O 1 1 10 4386 1 1 4 CYS C C -0.656 3.975 3.019 1.00 . A A . 4 CYS C 1 1 10 4387 1 1 4 CYS CA C -1.988 3.233 2.837 1.00 . A A . 4 CYS CA 1 1 10 4388 1 1 4 CYS CB C -1.784 1.940 2.042 1.00 . A A . 4 CYS CB 1 1 10 4389 1 1 4 CYS H H -2.844 4.097 1.049 1.00 . A A . 4 CYS H 1 1 10 4390 1 1 4 CYS HA H -2.420 3.004 3.799 1.00 . A A . 4 CYS HA 1 1 10 4391 1 1 4 CYS HB2 H -2.744 1.539 1.752 1.00 . A A . 4 CYS HB2 1 1 10 4392 1 1 4 CYS HB3 H -1.200 2.150 1.159 1.00 . A A . 4 CYS HB3 1 1 10 4393 1 1 4 CYS N N -2.942 4.047 2.025 1.00 . A A . 4 CYS N 1 1 10 4394 1 1 4 CYS O O -0.126 4.047 4.110 1.00 . A A . 4 CYS O 1 1 10 4395 1 1 4 CYS SG S -0.910 0.728 3.070 1.00 . A A . 4 CYS SG 1 1 10 4396 1 1 5 ASP C C 1.237 6.471 1.159 1.00 . A A . 5 ASP C 1 1 10 4397 1 1 5 ASP CA C 1.190 5.262 2.102 1.00 . A A . 5 ASP CA 1 1 10 4398 1 1 5 ASP CB C 2.269 4.252 1.713 1.00 . A A . 5 ASP CB 1 1 10 4399 1 1 5 ASP CG C 2.425 3.210 2.822 1.00 . A A . 5 ASP CG 1 1 10 4400 1 1 5 ASP H H -0.547 4.464 1.093 1.00 . A A . 5 ASP H 1 1 10 4401 1 1 5 ASP HA H 1.337 5.578 3.121 1.00 . A A . 5 ASP HA 1 1 10 4402 1 1 5 ASP HB2 H 1.987 3.760 0.794 1.00 . A A . 5 ASP HB2 1 1 10 4403 1 1 5 ASP HB3 H 3.208 4.765 1.572 1.00 . A A . 5 ASP HB3 1 1 10 4404 1 1 5 ASP N N -0.108 4.530 1.966 1.00 . A A . 5 ASP N 1 1 10 4405 1 1 5 ASP O O 2.240 6.729 0.524 1.00 . A A . 5 ASP O 1 1 10 4406 1 1 5 ASP OD1 O 2.478 3.606 3.975 1.00 . A A . 5 ASP OD1 1 1 10 4407 1 1 5 ASP OD2 O 2.488 2.035 2.501 1.00 . A A . 5 ASP OD2 1 1 10 4408 1 1 6 ASP C C 0.261 7.990 -1.299 1.00 . A A . 6 ASP C 1 1 10 4409 1 1 6 ASP CA C 0.169 8.411 0.171 1.00 . A A . 6 ASP CA 1 1 10 4410 1 1 6 ASP CB C 1.415 9.205 0.568 1.00 . A A . 6 ASP CB 1 1 10 4411 1 1 6 ASP CG C 1.013 10.622 0.980 1.00 . A A . 6 ASP CG 1 1 10 4412 1 1 6 ASP H H -0.628 6.996 1.593 1.00 . A A . 6 ASP H 1 1 10 4413 1 1 6 ASP HA H -0.714 9.008 0.338 1.00 . A A . 6 ASP HA 1 1 10 4414 1 1 6 ASP HB2 H 1.905 8.714 1.396 1.00 . A A . 6 ASP HB2 1 1 10 4415 1 1 6 ASP HB3 H 2.091 9.255 -0.272 1.00 . A A . 6 ASP HB3 1 1 10 4416 1 1 6 ASP N N 0.170 7.216 1.068 1.00 . A A . 6 ASP N 1 1 10 4417 1 1 6 ASP O O -0.602 8.290 -2.097 1.00 . A A . 6 ASP O 1 1 10 4418 1 1 6 ASP OD1 O 0.190 11.207 0.293 1.00 . A A . 6 ASP OD1 1 1 10 4419 1 1 6 ASP OD2 O 1.535 11.100 1.973 1.00 . A A . 6 ASP OD2 1 1 10 4420 1 1 7 ASN C C 0.326 5.957 -3.507 1.00 . A A . 7 ASN C 1 1 10 4421 1 1 7 ASN CA C 1.477 6.876 -3.080 1.00 . A A . 7 ASN CA 1 1 10 4422 1 1 7 ASN CB C 2.806 6.120 -3.103 1.00 . A A . 7 ASN CB 1 1 10 4423 1 1 7 ASN CG C 3.355 6.088 -4.532 1.00 . A A . 7 ASN CG 1 1 10 4424 1 1 7 ASN H H 2.001 7.085 -1.001 1.00 . A A . 7 ASN H 1 1 10 4425 1 1 7 ASN HA H 1.533 7.735 -3.729 1.00 . A A . 7 ASN HA 1 1 10 4426 1 1 7 ASN HB2 H 3.515 6.619 -2.457 1.00 . A A . 7 ASN HB2 1 1 10 4427 1 1 7 ASN HB3 H 2.653 5.109 -2.757 1.00 . A A . 7 ASN HB3 1 1 10 4428 1 1 7 ASN HD21 H 3.678 4.129 -4.515 1.00 . A A . 7 ASN HD21 1 1 10 4429 1 1 7 ASN HD22 H 4.093 4.921 -5.959 1.00 . A A . 7 ASN HD22 1 1 10 4430 1 1 7 ASN N N 1.312 7.307 -1.662 1.00 . A A . 7 ASN N 1 1 10 4431 1 1 7 ASN ND2 N 3.740 4.951 -5.044 1.00 . A A . 7 ASN ND2 1 1 10 4432 1 1 7 ASN O O 0.165 5.655 -4.673 1.00 . A A . 7 ASN O 1 1 10 4433 1 1 7 ASN OD1 O 3.432 7.107 -5.188 1.00 . A A . 7 ASN OD1 1 1 10 4434 1 1 8 PHE C C -2.922 5.158 -2.371 1.00 . A A . 8 PHE C 1 1 10 4435 1 1 8 PHE CA C -1.612 4.613 -2.945 1.00 . A A . 8 PHE CA 1 1 10 4436 1 1 8 PHE CB C -1.272 3.264 -2.311 1.00 . A A . 8 PHE CB 1 1 10 4437 1 1 8 PHE CD1 C -1.513 2.004 -4.481 1.00 . A A . 8 PHE CD1 1 1 10 4438 1 1 8 PHE CD2 C -2.793 1.266 -2.557 1.00 . A A . 8 PHE CD2 1 1 10 4439 1 1 8 PHE CE1 C -2.070 0.972 -5.246 1.00 . A A . 8 PHE CE1 1 1 10 4440 1 1 8 PHE CE2 C -3.349 0.234 -3.323 1.00 . A A . 8 PHE CE2 1 1 10 4441 1 1 8 PHE CG C -1.875 2.151 -3.137 1.00 . A A . 8 PHE CG 1 1 10 4442 1 1 8 PHE CZ C -2.988 0.087 -4.668 1.00 . A A . 8 PHE CZ 1 1 10 4443 1 1 8 PHE H H -0.332 5.764 -1.643 1.00 . A A . 8 PHE H 1 1 10 4444 1 1 8 PHE HA H -1.682 4.510 -4.016 1.00 . A A . 8 PHE HA 1 1 10 4445 1 1 8 PHE HB2 H -0.198 3.145 -2.275 1.00 . A A . 8 PHE HB2 1 1 10 4446 1 1 8 PHE HB3 H -1.673 3.226 -1.310 1.00 . A A . 8 PHE HB3 1 1 10 4447 1 1 8 PHE HD1 H -0.806 2.686 -4.928 1.00 . A A . 8 PHE HD1 1 1 10 4448 1 1 8 PHE HD2 H -3.071 1.380 -1.520 1.00 . A A . 8 PHE HD2 1 1 10 4449 1 1 8 PHE HE1 H -1.792 0.857 -6.284 1.00 . A A . 8 PHE HE1 1 1 10 4450 1 1 8 PHE HE2 H -4.057 -0.448 -2.875 1.00 . A A . 8 PHE HE2 1 1 10 4451 1 1 8 PHE HZ H -3.416 -0.710 -5.258 1.00 . A A . 8 PHE HZ 1 1 10 4452 1 1 8 PHE N N -0.475 5.511 -2.578 1.00 . A A . 8 PHE N 1 1 10 4453 1 1 8 PHE O O -2.966 6.238 -1.816 1.00 . A A . 8 PHE O 1 1 10 4454 1 1 9 SER C C -6.229 3.719 -1.680 1.00 . A A . 9 SER C 1 1 10 4455 1 1 9 SER CA C -5.294 4.900 -1.955 1.00 . A A . 9 SER CA 1 1 10 4456 1 1 9 SER CB C -5.871 5.801 -3.043 1.00 . A A . 9 SER CB 1 1 10 4457 1 1 9 SER H H -3.937 3.551 -2.948 1.00 . A A . 9 SER H 1 1 10 4458 1 1 9 SER HA H -5.136 5.471 -1.057 1.00 . A A . 9 SER HA 1 1 10 4459 1 1 9 SER HB2 H -6.920 5.963 -2.859 1.00 . A A . 9 SER HB2 1 1 10 4460 1 1 9 SER HB3 H -5.355 6.752 -3.029 1.00 . A A . 9 SER HB3 1 1 10 4461 1 1 9 SER HG H -5.461 5.853 -4.944 1.00 . A A . 9 SER HG 1 1 10 4462 1 1 9 SER N N -3.991 4.420 -2.498 1.00 . A A . 9 SER N 1 1 10 4463 1 1 9 SER O O -6.226 3.151 -0.605 1.00 . A A . 9 SER O 1 1 10 4464 1 1 9 SER OG O -5.710 5.176 -4.309 1.00 . A A . 9 SER OG 1 1 10 4465 1 1 10 CYS C C -8.979 2.539 -1.331 1.00 . A A . 10 CYS C 1 1 10 4466 1 1 10 CYS CA C -7.965 2.199 -2.428 1.00 . A A . 10 CYS CA 1 1 10 4467 1 1 10 CYS CB C -7.073 1.035 -1.997 1.00 . A A . 10 CYS CB 1 1 10 4468 1 1 10 CYS H H -7.020 3.813 -3.499 1.00 . A A . 10 CYS H 1 1 10 4469 1 1 10 CYS HA H -8.472 1.953 -3.347 1.00 . A A . 10 CYS HA 1 1 10 4470 1 1 10 CYS HB2 H -6.069 1.393 -1.824 1.00 . A A . 10 CYS HB2 1 1 10 4471 1 1 10 CYS HB3 H -7.462 0.598 -1.090 1.00 . A A . 10 CYS HB3 1 1 10 4472 1 1 10 CYS N N -7.031 3.343 -2.640 1.00 . A A . 10 CYS N 1 1 10 4473 1 1 10 CYS O O -8.740 3.403 -0.510 1.00 . A A . 10 CYS O 1 1 10 4474 1 1 10 CYS SG S -7.049 -0.216 -3.306 1.00 . A A . 10 CYS SG 1 1 10 4475 1 1 11 PRO C C -10.763 1.508 1.006 1.00 . A A . 11 PRO C 1 1 10 4476 1 1 11 PRO CA C -11.161 2.077 -0.360 1.00 . A A . 11 PRO CA 1 1 10 4477 1 1 11 PRO CB C -12.355 1.319 -0.935 1.00 . A A . 11 PRO CB 1 1 10 4478 1 1 11 PRO CD C -10.442 0.794 -2.318 1.00 . A A . 11 PRO CD 1 1 10 4479 1 1 11 PRO CG C -11.760 0.263 -1.812 1.00 . A A . 11 PRO CG 1 1 10 4480 1 1 11 PRO HA H -11.392 3.127 -0.283 1.00 . A A . 11 PRO HA 1 1 10 4481 1 1 11 PRO HB2 H -12.932 0.869 -0.138 1.00 . A A . 11 PRO HB2 1 1 10 4482 1 1 11 PRO HB3 H -12.973 1.980 -1.522 1.00 . A A . 11 PRO HB3 1 1 10 4483 1 1 11 PRO HD2 H -9.696 0.011 -2.320 1.00 . A A . 11 PRO HD2 1 1 10 4484 1 1 11 PRO HD3 H -10.556 1.213 -3.306 1.00 . A A . 11 PRO HD3 1 1 10 4485 1 1 11 PRO HG2 H -11.601 -0.641 -1.241 1.00 . A A . 11 PRO HG2 1 1 10 4486 1 1 11 PRO HG3 H -12.414 0.064 -2.645 1.00 . A A . 11 PRO HG3 1 1 10 4487 1 1 11 PRO N N -10.087 1.846 -1.359 1.00 . A A . 11 PRO N 1 1 10 4488 1 1 11 PRO O O -9.691 0.961 1.176 1.00 . A A . 11 PRO O 1 1 10 4489 1 1 12 ALA C C -11.495 -0.423 3.367 1.00 . A A . 12 ALA C 1 1 10 4490 1 1 12 ALA CA C -11.302 1.096 3.337 1.00 . A A . 12 ALA CA 1 1 10 4491 1 1 12 ALA CB C -12.293 1.782 4.280 1.00 . A A . 12 ALA CB 1 1 10 4492 1 1 12 ALA H H -12.484 2.073 1.821 1.00 . A A . 12 ALA H 1 1 10 4493 1 1 12 ALA HA H -10.293 1.353 3.614 1.00 . A A . 12 ALA HA 1 1 10 4494 1 1 12 ALA HB1 H -12.776 1.038 4.896 1.00 . A A . 12 ALA HB1 1 1 10 4495 1 1 12 ALA HB2 H -13.038 2.307 3.700 1.00 . A A . 12 ALA HB2 1 1 10 4496 1 1 12 ALA HB3 H -11.765 2.483 4.908 1.00 . A A . 12 ALA HB3 1 1 10 4497 1 1 12 ALA N N -11.624 1.630 1.981 1.00 . A A . 12 ALA N 1 1 10 4498 1 1 12 ALA O O -10.845 -1.127 4.114 1.00 . A A . 12 ALA O 1 1 10 4499 1 1 13 GLY C C -11.268 -3.128 2.388 1.00 . A A . 13 GLY C 1 1 10 4500 1 1 13 GLY CA C -12.610 -2.409 2.542 1.00 . A A . 13 GLY CA 1 1 10 4501 1 1 13 GLY H H -12.897 -0.353 1.961 1.00 . A A . 13 GLY H 1 1 10 4502 1 1 13 GLY HA2 H -13.081 -2.710 3.467 1.00 . A A . 13 GLY HA2 1 1 10 4503 1 1 13 GLY HA3 H -13.249 -2.665 1.710 1.00 . A A . 13 GLY HA3 1 1 10 4504 1 1 13 GLY N N -12.382 -0.936 2.558 1.00 . A A . 13 GLY N 1 1 10 4505 1 1 13 GLY O O -10.892 -3.947 3.203 1.00 . A A . 13 GLY O 1 1 10 4506 1 1 14 SER C C -8.124 -2.712 1.885 1.00 . A A . 14 SER C 1 1 10 4507 1 1 14 SER CA C -9.219 -3.481 1.136 1.00 . A A . 14 SER CA 1 1 10 4508 1 1 14 SER CB C -8.986 -3.411 -0.373 1.00 . A A . 14 SER CB 1 1 10 4509 1 1 14 SER H H -10.864 -2.157 0.704 1.00 . A A . 14 SER H 1 1 10 4510 1 1 14 SER HA H -9.250 -4.513 1.457 1.00 . A A . 14 SER HA 1 1 10 4511 1 1 14 SER HB2 H -9.409 -2.500 -0.762 1.00 . A A . 14 SER HB2 1 1 10 4512 1 1 14 SER HB3 H -7.922 -3.426 -0.573 1.00 . A A . 14 SER HB3 1 1 10 4513 1 1 14 SER HG H -9.129 -4.727 -1.799 1.00 . A A . 14 SER HG 1 1 10 4514 1 1 14 SER N N -10.541 -2.823 1.347 1.00 . A A . 14 SER N 1 1 10 4515 1 1 14 SER O O -8.381 -1.711 2.523 1.00 . A A . 14 SER O 1 1 10 4516 1 1 14 SER OG O -9.615 -4.523 -0.997 1.00 . A A . 14 SER OG 1 1 10 4517 1 1 15 THR C C -4.670 -2.168 1.503 1.00 . A A . 15 THR C 1 1 10 4518 1 1 15 THR CA C -5.791 -2.473 2.507 1.00 . A A . 15 THR CA 1 1 10 4519 1 1 15 THR CB C -5.330 -3.459 3.584 1.00 . A A . 15 THR CB 1 1 10 4520 1 1 15 THR CG2 C -4.259 -2.804 4.455 1.00 . A A . 15 THR CG2 1 1 10 4521 1 1 15 THR H H -6.723 -3.981 1.285 1.00 . A A . 15 THR H 1 1 10 4522 1 1 15 THR HA H -6.146 -1.564 2.965 1.00 . A A . 15 THR HA 1 1 10 4523 1 1 15 THR HB H -4.920 -4.340 3.116 1.00 . A A . 15 THR HB 1 1 10 4524 1 1 15 THR HG1 H -6.915 -3.026 4.625 1.00 . A A . 15 THR HG1 1 1 10 4525 1 1 15 THR HG21 H -3.340 -2.724 3.894 1.00 . A A . 15 THR HG21 1 1 10 4526 1 1 15 THR HG22 H -4.091 -3.407 5.335 1.00 . A A . 15 THR HG22 1 1 10 4527 1 1 15 THR HG23 H -4.589 -1.818 4.751 1.00 . A A . 15 THR HG23 1 1 10 4528 1 1 15 THR N N -6.907 -3.173 1.808 1.00 . A A . 15 THR N 1 1 10 4529 1 1 15 THR O O -4.804 -1.302 0.661 1.00 . A A . 15 THR O 1 1 10 4530 1 1 15 THR OG1 O -6.440 -3.827 4.392 1.00 . A A . 15 THR OG1 1 1 10 4531 1 1 16 CYS C C -1.429 -3.742 0.654 1.00 . A A . 16 CYS C 1 1 10 4532 1 1 16 CYS CA C -2.467 -2.620 0.594 1.00 . A A . 16 CYS CA 1 1 10 4533 1 1 16 CYS CB C -1.829 -1.276 0.984 1.00 . A A . 16 CYS CB 1 1 10 4534 1 1 16 CYS H H -3.474 -3.579 2.238 1.00 . A A . 16 CYS H 1 1 10 4535 1 1 16 CYS HA H -2.869 -2.550 -0.402 1.00 . A A . 16 CYS HA 1 1 10 4536 1 1 16 CYS HB2 H -0.796 -1.278 0.675 1.00 . A A . 16 CYS HB2 1 1 10 4537 1 1 16 CYS HB3 H -2.350 -0.476 0.479 1.00 . A A . 16 CYS HB3 1 1 10 4538 1 1 16 CYS N N -3.571 -2.876 1.566 1.00 . A A . 16 CYS N 1 1 10 4539 1 1 16 CYS O O -0.909 -4.066 1.703 1.00 . A A . 16 CYS O 1 1 10 4540 1 1 16 CYS SG S -1.906 -1.009 2.777 1.00 . A A . 16 CYS SG 1 1 10 4541 1 1 17 SER C C 1.060 -5.081 0.413 1.00 . A A . 17 SER C 1 1 10 4542 1 1 17 SER CA C -0.119 -5.432 -0.498 1.00 . A A . 17 SER CA 1 1 10 4543 1 1 17 SER CB C 0.331 -5.518 -1.956 1.00 . A A . 17 SER CB 1 1 10 4544 1 1 17 SER H H -1.559 -4.049 -1.304 1.00 . A A . 17 SER H 1 1 10 4545 1 1 17 SER HA H -0.568 -6.364 -0.193 1.00 . A A . 17 SER HA 1 1 10 4546 1 1 17 SER HB2 H -0.283 -4.874 -2.563 1.00 . A A . 17 SER HB2 1 1 10 4547 1 1 17 SER HB3 H 1.364 -5.203 -2.032 1.00 . A A . 17 SER HB3 1 1 10 4548 1 1 17 SER HG H -0.743 -7.047 -2.495 1.00 . A A . 17 SER HG 1 1 10 4549 1 1 17 SER N N -1.126 -4.332 -0.472 1.00 . A A . 17 SER N 1 1 10 4550 1 1 17 SER O O 1.248 -5.674 1.456 1.00 . A A . 17 SER O 1 1 10 4551 1 1 17 SER OG O 0.195 -6.857 -2.411 1.00 . A A . 17 SER OG 1 1 10 4552 1 1 18 SER C C 3.850 -2.633 0.215 1.00 . A A . 18 SER C 1 1 10 4553 1 1 18 SER CA C 3.001 -3.722 0.890 1.00 . A A . 18 SER CA 1 1 10 4554 1 1 18 SER CB C 3.802 -5.009 1.087 1.00 . A A . 18 SER CB 1 1 10 4555 1 1 18 SER H H 1.673 -3.642 -0.803 1.00 . A A . 18 SER H 1 1 10 4556 1 1 18 SER HA H 2.641 -3.367 1.837 1.00 . A A . 18 SER HA 1 1 10 4557 1 1 18 SER HB2 H 3.325 -5.620 1.835 1.00 . A A . 18 SER HB2 1 1 10 4558 1 1 18 SER HB3 H 3.842 -5.553 0.152 1.00 . A A . 18 SER HB3 1 1 10 4559 1 1 18 SER HG H 5.657 -5.472 1.443 1.00 . A A . 18 SER HG 1 1 10 4560 1 1 18 SER N N 1.847 -4.114 0.033 1.00 . A A . 18 SER N 1 1 10 4561 1 1 18 SER O O 3.421 -1.505 0.081 1.00 . A A . 18 SER O 1 1 10 4562 1 1 18 SER OG O 5.116 -4.683 1.518 1.00 . A A . 18 SER OG 1 1 10 4563 1 1 19 ALA C C 7.105 -2.561 -1.534 1.00 . A A . 19 ALA C 1 1 10 4564 1 1 19 ALA CA C 5.909 -1.906 -0.844 1.00 . A A . 19 ALA CA 1 1 10 4565 1 1 19 ALA CB C 6.373 -1.008 0.302 1.00 . A A . 19 ALA CB 1 1 10 4566 1 1 19 ALA H H 5.398 -3.854 -0.075 1.00 . A A . 19 ALA H 1 1 10 4567 1 1 19 ALA HA H 5.337 -1.332 -1.552 1.00 . A A . 19 ALA HA 1 1 10 4568 1 1 19 ALA HB1 H 7.221 -1.461 0.794 1.00 . A A . 19 ALA HB1 1 1 10 4569 1 1 19 ALA HB2 H 5.568 -0.889 1.012 1.00 . A A . 19 ALA HB2 1 1 10 4570 1 1 19 ALA HB3 H 6.655 -0.043 -0.088 1.00 . A A . 19 ALA HB3 1 1 10 4571 1 1 19 ALA N N 5.053 -2.945 -0.197 1.00 . A A . 19 ALA N 1 1 10 4572 1 1 19 ALA O O 7.347 -2.358 -2.706 1.00 . A A . 19 ALA O 1 1 10 4573 1 1 20 PHE C C 9.233 -5.396 -0.784 1.00 . A A . 20 PHE C 1 1 10 4574 1 1 20 PHE CA C 9.032 -4.023 -1.428 1.00 . A A . 20 PHE CA 1 1 10 4575 1 1 20 PHE CB C 10.246 -3.120 -1.150 1.00 . A A . 20 PHE CB 1 1 10 4576 1 1 20 PHE CD1 C 9.767 -2.740 1.301 1.00 . A A . 20 PHE CD1 1 1 10 4577 1 1 20 PHE CD2 C 9.944 -0.822 -0.170 1.00 . A A . 20 PHE CD2 1 1 10 4578 1 1 20 PHE CE1 C 9.517 -1.887 2.383 1.00 . A A . 20 PHE CE1 1 1 10 4579 1 1 20 PHE CE2 C 9.696 0.031 0.910 1.00 . A A . 20 PHE CE2 1 1 10 4580 1 1 20 PHE CG C 9.979 -2.206 0.025 1.00 . A A . 20 PHE CG 1 1 10 4581 1 1 20 PHE CZ C 9.483 -0.501 2.187 1.00 . A A . 20 PHE CZ 1 1 10 4582 1 1 20 PHE H H 7.636 -3.500 0.129 1.00 . A A . 20 PHE H 1 1 10 4583 1 1 20 PHE HA H 8.887 -4.123 -2.492 1.00 . A A . 20 PHE HA 1 1 10 4584 1 1 20 PHE HB2 H 11.104 -3.736 -0.932 1.00 . A A . 20 PHE HB2 1 1 10 4585 1 1 20 PHE HB3 H 10.450 -2.523 -2.026 1.00 . A A . 20 PHE HB3 1 1 10 4586 1 1 20 PHE HD1 H 9.794 -3.810 1.451 1.00 . A A . 20 PHE HD1 1 1 10 4587 1 1 20 PHE HD2 H 10.108 -0.414 -1.157 1.00 . A A . 20 PHE HD2 1 1 10 4588 1 1 20 PHE HE1 H 9.352 -2.297 3.368 1.00 . A A . 20 PHE HE1 1 1 10 4589 1 1 20 PHE HE2 H 9.669 1.099 0.757 1.00 . A A . 20 PHE HE2 1 1 10 4590 1 1 20 PHE HZ H 9.290 0.158 3.020 1.00 . A A . 20 PHE HZ 1 1 10 4591 1 1 20 PHE N N 7.852 -3.348 -0.815 1.00 . A A . 20 PHE N 1 1 10 4592 1 1 20 PHE O O 8.344 -5.927 -0.147 1.00 . A A . 20 PHE O 1 1 10 4593 1 1 21 GLY C C 10.966 -7.138 1.154 1.00 . A A . 21 GLY C 1 1 10 4594 1 1 21 GLY CA C 10.637 -7.312 -0.328 1.00 . A A . 21 GLY CA 1 1 10 4595 1 1 21 GLY H H 11.097 -5.532 -1.452 1.00 . A A . 21 GLY H 1 1 10 4596 1 1 21 GLY HA2 H 9.753 -7.924 -0.433 1.00 . A A . 21 GLY HA2 1 1 10 4597 1 1 21 GLY HA3 H 11.469 -7.789 -0.825 1.00 . A A . 21 GLY HA3 1 1 10 4598 1 1 21 GLY N N 10.390 -5.976 -0.939 1.00 . A A . 21 GLY N 1 1 10 4599 1 1 21 GLY O O 10.088 -7.026 1.987 1.00 . A A . 21 GLY O 1 1 10 4600 1 1 22 PHE C C 13.702 -5.867 3.043 1.00 . A A . 22 PHE C 1 1 10 4601 1 1 22 PHE CA C 12.611 -6.936 2.921 1.00 . A A . 22 PHE CA 1 1 10 4602 1 1 22 PHE CB C 13.128 -8.308 3.365 1.00 . A A . 22 PHE CB 1 1 10 4603 1 1 22 PHE CD1 C 14.678 -8.801 1.434 1.00 . A A . 22 PHE CD1 1 1 10 4604 1 1 22 PHE CD2 C 15.624 -8.533 3.650 1.00 . A A . 22 PHE CD2 1 1 10 4605 1 1 22 PHE CE1 C 15.958 -9.033 0.916 1.00 . A A . 22 PHE CE1 1 1 10 4606 1 1 22 PHE CE2 C 16.904 -8.764 3.132 1.00 . A A . 22 PHE CE2 1 1 10 4607 1 1 22 PHE CG C 14.511 -8.551 2.801 1.00 . A A . 22 PHE CG 1 1 10 4608 1 1 22 PHE CZ C 17.071 -9.014 1.765 1.00 . A A . 22 PHE CZ 1 1 10 4609 1 1 22 PHE H H 12.918 -7.196 0.804 1.00 . A A . 22 PHE H 1 1 10 4610 1 1 22 PHE HA H 11.750 -6.660 3.510 1.00 . A A . 22 PHE HA 1 1 10 4611 1 1 22 PHE HB2 H 13.171 -8.342 4.444 1.00 . A A . 22 PHE HB2 1 1 10 4612 1 1 22 PHE HB3 H 12.457 -9.076 3.009 1.00 . A A . 22 PHE HB3 1 1 10 4613 1 1 22 PHE HD1 H 13.821 -8.817 0.778 1.00 . A A . 22 PHE HD1 1 1 10 4614 1 1 22 PHE HD2 H 15.495 -8.341 4.705 1.00 . A A . 22 PHE HD2 1 1 10 4615 1 1 22 PHE HE1 H 16.087 -9.226 -0.139 1.00 . A A . 22 PHE HE1 1 1 10 4616 1 1 22 PHE HE2 H 17.763 -8.750 3.788 1.00 . A A . 22 PHE HE2 1 1 10 4617 1 1 22 PHE HZ H 18.059 -9.191 1.365 1.00 . A A . 22 PHE HZ 1 1 10 4618 1 1 22 PHE N N 12.226 -7.108 1.492 1.00 . A A . 22 PHE N 1 1 10 4619 1 1 22 PHE O O 14.311 -5.699 4.080 1.00 . A A . 22 PHE O 1 1 10 4620 1 1 23 ARG C C 14.370 -2.726 1.621 1.00 . A A . 23 ARG C 1 1 10 4621 1 1 23 ARG CA C 14.983 -4.073 2.032 1.00 . A A . 23 ARG CA 1 1 10 4622 1 1 23 ARG CB C 16.048 -4.523 1.031 1.00 . A A . 23 ARG CB 1 1 10 4623 1 1 23 ARG CD C 15.542 -6.228 -0.727 1.00 . A A . 23 ARG CD 1 1 10 4624 1 1 23 ARG CG C 15.396 -4.756 -0.334 1.00 . A A . 23 ARG CG 1 1 10 4625 1 1 23 ARG CZ C 17.230 -7.434 -1.972 1.00 . A A . 23 ARG CZ 1 1 10 4626 1 1 23 ARG H H 13.433 -5.289 1.162 1.00 . A A . 23 ARG H 1 1 10 4627 1 1 23 ARG HA H 15.411 -4.005 3.020 1.00 . A A . 23 ARG HA 1 1 10 4628 1 1 23 ARG HB2 H 16.806 -3.758 0.942 1.00 . A A . 23 ARG HB2 1 1 10 4629 1 1 23 ARG HB3 H 16.501 -5.441 1.374 1.00 . A A . 23 ARG HB3 1 1 10 4630 1 1 23 ARG HD2 H 15.564 -6.851 0.156 1.00 . A A . 23 ARG HD2 1 1 10 4631 1 1 23 ARG HD3 H 14.735 -6.526 -1.378 1.00 . A A . 23 ARG HD3 1 1 10 4632 1 1 23 ARG HE H 17.397 -5.503 -1.542 1.00 . A A . 23 ARG HE 1 1 10 4633 1 1 23 ARG HG2 H 14.347 -4.501 -0.279 1.00 . A A . 23 ARG HG2 1 1 10 4634 1 1 23 ARG HG3 H 15.878 -4.138 -1.075 1.00 . A A . 23 ARG HG3 1 1 10 4635 1 1 23 ARG HH11 H 15.402 -8.252 -1.949 1.00 . A A . 23 ARG HH11 1 1 10 4636 1 1 23 ARG HH12 H 16.664 -9.256 -2.584 1.00 . A A . 23 ARG HH12 1 1 10 4637 1 1 23 ARG HH21 H 19.148 -6.878 -2.119 1.00 . A A . 23 ARG HH21 1 1 10 4638 1 1 23 ARG HH22 H 18.787 -8.479 -2.675 1.00 . A A . 23 ARG HH22 1 1 10 4639 1 1 23 ARG N N 13.942 -5.138 1.987 1.00 . A A . 23 ARG N 1 1 10 4640 1 1 23 ARG NE N 16.838 -6.304 -1.453 1.00 . A A . 23 ARG NE 1 1 10 4641 1 1 23 ARG NH1 N 16.365 -8.388 -2.184 1.00 . A A . 23 ARG NH1 1 1 10 4642 1 1 23 ARG NH2 N 18.486 -7.611 -2.279 1.00 . A A . 23 ARG NH2 1 1 10 4643 1 1 23 ARG O O 13.420 -2.264 2.222 1.00 . A A . 23 ARG O 1 1 10 4644 1 1 24 ASN C C 14.447 -0.633 -1.350 1.00 . A A . 24 ASN C 1 1 10 4645 1 1 24 ASN CA C 14.324 -0.784 0.169 1.00 . A A . 24 ASN CA 1 1 10 4646 1 1 24 ASN CB C 15.163 0.274 0.885 1.00 . A A . 24 ASN CB 1 1 10 4647 1 1 24 ASN CG C 14.681 0.417 2.330 1.00 . A A . 24 ASN CG 1 1 10 4648 1 1 24 ASN H H 15.656 -2.471 0.122 1.00 . A A . 24 ASN H 1 1 10 4649 1 1 24 ASN HA H 13.292 -0.705 0.473 1.00 . A A . 24 ASN HA 1 1 10 4650 1 1 24 ASN HB2 H 16.202 -0.025 0.877 1.00 . A A . 24 ASN HB2 1 1 10 4651 1 1 24 ASN HB3 H 15.058 1.222 0.377 1.00 . A A . 24 ASN HB3 1 1 10 4652 1 1 24 ASN HD21 H 16.226 -0.573 3.094 1.00 . A A . 24 ASN HD21 1 1 10 4653 1 1 24 ASN HD22 H 15.091 -0.011 4.225 1.00 . A A . 24 ASN HD22 1 1 10 4654 1 1 24 ASN N N 14.894 -2.091 0.603 1.00 . A A . 24 ASN N 1 1 10 4655 1 1 24 ASN ND2 N 15.392 -0.099 3.297 1.00 . A A . 24 ASN ND2 1 1 10 4656 1 1 24 ASN O O 14.591 0.457 -1.863 1.00 . A A . 24 ASN O 1 1 10 4657 1 1 24 ASN OD1 O 13.647 1.003 2.581 1.00 . A A . 24 ASN OD1 1 1 10 4658 1 1 25 LEU C C 13.690 -0.460 -4.084 1.00 . A A . 25 LEU C 1 1 10 4659 1 1 25 LEU CA C 14.503 -1.644 -3.557 1.00 . A A . 25 LEU CA 1 1 10 4660 1 1 25 LEU CB C 13.915 -2.961 -4.071 1.00 . A A . 25 LEU CB 1 1 10 4661 1 1 25 LEU CD1 C 15.325 -2.693 -6.120 1.00 . A A . 25 LEU CD1 1 1 10 4662 1 1 25 LEU CD2 C 16.165 -4.037 -4.189 1.00 . A A . 25 LEU CD2 1 1 10 4663 1 1 25 LEU CG C 14.923 -3.649 -4.993 1.00 . A A . 25 LEU CG 1 1 10 4664 1 1 25 LEU H H 14.272 -2.592 -1.635 1.00 . A A . 25 LEU H 1 1 10 4665 1 1 25 LEU HA H 15.536 -1.558 -3.855 1.00 . A A . 25 LEU HA 1 1 10 4666 1 1 25 LEU HB2 H 13.692 -3.606 -3.234 1.00 . A A . 25 LEU HB2 1 1 10 4667 1 1 25 LEU HB3 H 13.008 -2.759 -4.621 1.00 . A A . 25 LEU HB3 1 1 10 4668 1 1 25 LEU HD11 H 14.702 -1.813 -6.086 1.00 . A A . 25 LEU HD11 1 1 10 4669 1 1 25 LEU HD12 H 15.200 -3.187 -7.072 1.00 . A A . 25 LEU HD12 1 1 10 4670 1 1 25 LEU HD13 H 16.359 -2.407 -5.996 1.00 . A A . 25 LEU HD13 1 1 10 4671 1 1 25 LEU HD21 H 16.599 -3.153 -3.749 1.00 . A A . 25 LEU HD21 1 1 10 4672 1 1 25 LEU HD22 H 16.886 -4.505 -4.844 1.00 . A A . 25 LEU HD22 1 1 10 4673 1 1 25 LEU HD23 H 15.887 -4.729 -3.408 1.00 . A A . 25 LEU HD23 1 1 10 4674 1 1 25 LEU HG H 14.474 -4.536 -5.417 1.00 . A A . 25 LEU HG 1 1 10 4675 1 1 25 LEU N N 14.390 -1.722 -2.070 1.00 . A A . 25 LEU N 1 1 10 4676 1 1 25 LEU O O 14.167 0.340 -4.863 1.00 . A A . 25 LEU O 1 1 10 4677 1 1 26 SER C C 10.157 0.548 -3.696 1.00 . A A . 26 SER C 1 1 10 4678 1 1 26 SER CA C 11.605 0.781 -4.131 1.00 . A A . 26 SER CA 1 1 10 4679 1 1 26 SER CB C 11.718 0.763 -5.655 1.00 . A A . 26 SER CB 1 1 10 4680 1 1 26 SER H H 12.098 -1.004 -3.032 1.00 . A A . 26 SER H 1 1 10 4681 1 1 26 SER HA H 11.970 1.720 -3.744 1.00 . A A . 26 SER HA 1 1 10 4682 1 1 26 SER HB2 H 12.290 -0.096 -5.967 1.00 . A A . 26 SER HB2 1 1 10 4683 1 1 26 SER HB3 H 10.728 0.709 -6.087 1.00 . A A . 26 SER HB3 1 1 10 4684 1 1 26 SER HG H 11.706 2.559 -6.403 1.00 . A A . 26 SER HG 1 1 10 4685 1 1 26 SER N N 12.460 -0.346 -3.660 1.00 . A A . 26 SER N 1 1 10 4686 1 1 26 SER O O 9.797 -0.526 -3.257 1.00 . A A . 26 SER O 1 1 10 4687 1 1 26 SER OG O 12.376 1.946 -6.091 1.00 . A A . 26 SER OG 1 1 10 4688 1 1 27 LEU C C 7.120 0.614 -4.469 1.00 . A A . 27 LEU C 1 1 10 4689 1 1 27 LEU CA C 7.902 1.373 -3.395 1.00 . A A . 27 LEU CA 1 1 10 4690 1 1 27 LEU CB C 7.357 2.795 -3.238 1.00 . A A . 27 LEU CB 1 1 10 4691 1 1 27 LEU CD1 C 7.339 4.798 -1.747 1.00 . A A . 27 LEU CD1 1 1 10 4692 1 1 27 LEU CD2 C 8.019 2.575 -0.840 1.00 . A A . 27 LEU CD2 1 1 10 4693 1 1 27 LEU CG C 8.056 3.487 -2.068 1.00 . A A . 27 LEU CG 1 1 10 4694 1 1 27 LEU H H 9.633 2.406 -4.162 1.00 . A A . 27 LEU H 1 1 10 4695 1 1 27 LEU HA H 7.847 0.849 -2.453 1.00 . A A . 27 LEU HA 1 1 10 4696 1 1 27 LEU HB2 H 7.539 3.352 -4.147 1.00 . A A . 27 LEU HB2 1 1 10 4697 1 1 27 LEU HB3 H 6.295 2.754 -3.048 1.00 . A A . 27 LEU HB3 1 1 10 4698 1 1 27 LEU HD11 H 7.258 4.913 -0.676 1.00 . A A . 27 LEU HD11 1 1 10 4699 1 1 27 LEU HD12 H 6.350 4.783 -2.183 1.00 . A A . 27 LEU HD12 1 1 10 4700 1 1 27 LEU HD13 H 7.900 5.625 -2.157 1.00 . A A . 27 LEU HD13 1 1 10 4701 1 1 27 LEU HD21 H 7.238 1.839 -0.962 1.00 . A A . 27 LEU HD21 1 1 10 4702 1 1 27 LEU HD22 H 7.823 3.167 0.043 1.00 . A A . 27 LEU HD22 1 1 10 4703 1 1 27 LEU HD23 H 8.971 2.075 -0.734 1.00 . A A . 27 LEU HD23 1 1 10 4704 1 1 27 LEU HG H 9.082 3.695 -2.334 1.00 . A A . 27 LEU HG 1 1 10 4705 1 1 27 LEU N N 9.325 1.545 -3.809 1.00 . A A . 27 LEU N 1 1 10 4706 1 1 27 LEU O O 6.390 1.195 -5.248 1.00 . A A . 27 LEU O 1 1 10 4707 1 1 28 VAL C C 5.471 -2.350 -4.816 1.00 . A A . 28 VAL C 1 1 10 4708 1 1 28 VAL CA C 6.524 -1.488 -5.522 1.00 . A A . 28 VAL CA 1 1 10 4709 1 1 28 VAL CB C 7.600 -2.349 -6.189 1.00 . A A . 28 VAL CB 1 1 10 4710 1 1 28 VAL CG1 C 6.966 -3.604 -6.793 1.00 . A A . 28 VAL CG1 1 1 10 4711 1 1 28 VAL CG2 C 8.276 -1.539 -7.296 1.00 . A A . 28 VAL CG2 1 1 10 4712 1 1 28 VAL H H 7.852 -1.128 -3.867 1.00 . A A . 28 VAL H 1 1 10 4713 1 1 28 VAL HA H 6.059 -0.843 -6.252 1.00 . A A . 28 VAL HA 1 1 10 4714 1 1 28 VAL HB H 8.338 -2.636 -5.450 1.00 . A A . 28 VAL HB 1 1 10 4715 1 1 28 VAL HG11 H 7.513 -3.891 -7.680 1.00 . A A . 28 VAL HG11 1 1 10 4716 1 1 28 VAL HG12 H 5.940 -3.399 -7.055 1.00 . A A . 28 VAL HG12 1 1 10 4717 1 1 28 VAL HG13 H 7.001 -4.408 -6.072 1.00 . A A . 28 VAL HG13 1 1 10 4718 1 1 28 VAL HG21 H 9.253 -1.220 -6.966 1.00 . A A . 28 VAL HG21 1 1 10 4719 1 1 28 VAL HG22 H 7.673 -0.671 -7.526 1.00 . A A . 28 VAL HG22 1 1 10 4720 1 1 28 VAL HG23 H 8.377 -2.150 -8.181 1.00 . A A . 28 VAL HG23 1 1 10 4721 1 1 28 VAL N N 7.262 -0.681 -4.509 1.00 . A A . 28 VAL N 1 1 10 4722 1 1 28 VAL O O 5.770 -3.398 -4.281 1.00 . A A . 28 VAL O 1 1 10 4723 1 1 29 TRP C C 1.801 -2.319 -4.650 1.00 . A A . 29 TRP C 1 1 10 4724 1 1 29 TRP CA C 3.182 -2.685 -4.102 1.00 . A A . 29 TRP CA 1 1 10 4725 1 1 29 TRP CB C 3.306 -2.293 -2.629 1.00 . A A . 29 TRP CB 1 1 10 4726 1 1 29 TRP CD1 C 4.151 0.070 -3.045 1.00 . A A . 29 TRP CD1 1 1 10 4727 1 1 29 TRP CD2 C 2.361 0.012 -1.684 1.00 . A A . 29 TRP CD2 1 1 10 4728 1 1 29 TRP CE2 C 2.720 1.372 -1.825 1.00 . A A . 29 TRP CE2 1 1 10 4729 1 1 29 TRP CE3 C 1.258 -0.300 -0.867 1.00 . A A . 29 TRP CE3 1 1 10 4730 1 1 29 TRP CG C 3.280 -0.799 -2.474 1.00 . A A . 29 TRP CG 1 1 10 4731 1 1 29 TRP CH2 C 0.921 2.059 -0.373 1.00 . A A . 29 TRP CH2 1 1 10 4732 1 1 29 TRP CZ2 C 2.012 2.388 -1.180 1.00 . A A . 29 TRP CZ2 1 1 10 4733 1 1 29 TRP CZ3 C 0.545 0.719 -0.217 1.00 . A A . 29 TRP CZ3 1 1 10 4734 1 1 29 TRP H H 4.025 -1.049 -5.218 1.00 . A A . 29 TRP H 1 1 10 4735 1 1 29 TRP HA H 3.361 -3.742 -4.213 1.00 . A A . 29 TRP HA 1 1 10 4736 1 1 29 TRP HB2 H 2.486 -2.717 -2.079 1.00 . A A . 29 TRP HB2 1 1 10 4737 1 1 29 TRP HB3 H 4.234 -2.677 -2.238 1.00 . A A . 29 TRP HB3 1 1 10 4738 1 1 29 TRP HD1 H 4.972 -0.196 -3.693 1.00 . A A . 29 TRP HD1 1 1 10 4739 1 1 29 TRP HE1 H 4.285 2.169 -2.945 1.00 . A A . 29 TRP HE1 1 1 10 4740 1 1 29 TRP HE3 H 0.960 -1.331 -0.739 1.00 . A A . 29 TRP HE3 1 1 10 4741 1 1 29 TRP HH2 H 0.368 2.837 0.131 1.00 . A A . 29 TRP HH2 1 1 10 4742 1 1 29 TRP HZ2 H 2.306 3.420 -1.302 1.00 . A A . 29 TRP HZ2 1 1 10 4743 1 1 29 TRP HZ3 H -0.295 0.471 0.410 1.00 . A A . 29 TRP HZ3 1 1 10 4744 1 1 29 TRP N N 4.244 -1.904 -4.793 1.00 . A A . 29 TRP N 1 1 10 4745 1 1 29 TRP NE1 N 3.815 1.356 -2.665 1.00 . A A . 29 TRP NE1 1 1 10 4746 1 1 29 TRP O O 1.672 -1.870 -5.771 1.00 . A A . 29 TRP O 1 1 10 4747 1 1 30 GLY C C -1.654 -2.411 -3.306 1.00 . A A . 30 GLY C 1 1 10 4748 1 1 30 GLY CA C -0.596 -2.169 -4.386 1.00 . A A . 30 GLY CA 1 1 10 4749 1 1 30 GLY H H 0.879 -2.877 -2.969 1.00 . A A . 30 GLY H 1 1 10 4750 1 1 30 GLY HA2 H -0.614 -1.128 -4.679 1.00 . A A . 30 GLY HA2 1 1 10 4751 1 1 30 GLY HA3 H -0.817 -2.785 -5.245 1.00 . A A . 30 GLY HA3 1 1 10 4752 1 1 30 GLY N N 0.764 -2.509 -3.875 1.00 . A A . 30 GLY N 1 1 10 4753 1 1 30 GLY O O -1.383 -2.332 -2.125 1.00 . A A . 30 GLY O 1 1 10 4754 1 1 31 CYS C C -3.954 -4.377 -2.230 1.00 . A A . 31 CYS C 1 1 10 4755 1 1 31 CYS CA C -3.960 -2.929 -2.726 1.00 . A A . 31 CYS CA 1 1 10 4756 1 1 31 CYS CB C -5.250 -2.639 -3.491 1.00 . A A . 31 CYS CB 1 1 10 4757 1 1 31 CYS H H -3.057 -2.741 -4.674 1.00 . A A . 31 CYS H 1 1 10 4758 1 1 31 CYS HA H -3.871 -2.248 -1.897 1.00 . A A . 31 CYS HA 1 1 10 4759 1 1 31 CYS HB2 H -5.044 -1.952 -4.298 1.00 . A A . 31 CYS HB2 1 1 10 4760 1 1 31 CYS HB3 H -5.645 -3.560 -3.893 1.00 . A A . 31 CYS HB3 1 1 10 4761 1 1 31 CYS N N -2.866 -2.693 -3.713 1.00 . A A . 31 CYS N 1 1 10 4762 1 1 31 CYS O O -3.172 -5.197 -2.669 1.00 . A A . 31 CYS O 1 1 10 4763 1 1 31 CYS SG S -6.463 -1.905 -2.367 1.00 . A A . 31 CYS SG 1 1 10 4764 1 1 32 SER C C -6.158 -6.232 0.092 1.00 . A A . 32 SER C 1 1 10 4765 1 1 32 SER CA C -4.900 -6.077 -0.769 1.00 . A A . 32 SER CA 1 1 10 4766 1 1 32 SER CB C -3.644 -6.232 0.087 1.00 . A A . 32 SER CB 1 1 10 4767 1 1 32 SER H H -5.446 -4.004 -0.979 1.00 . A A . 32 SER H 1 1 10 4768 1 1 32 SER HA H -4.896 -6.800 -1.569 1.00 . A A . 32 SER HA 1 1 10 4769 1 1 32 SER HB2 H -3.570 -7.246 0.442 1.00 . A A . 32 SER HB2 1 1 10 4770 1 1 32 SER HB3 H -2.772 -5.996 -0.509 1.00 . A A . 32 SER HB3 1 1 10 4771 1 1 32 SER HG H -3.409 -5.822 1.974 1.00 . A A . 32 SER HG 1 1 10 4772 1 1 32 SER N N -4.828 -4.689 -1.312 1.00 . A A . 32 SER N 1 1 10 4773 1 1 32 SER O O -6.547 -5.315 0.782 1.00 . A A . 32 SER O 1 1 10 4774 1 1 32 SER OG O -3.725 -5.351 1.200 1.00 . A A . 32 SER OG 1 1 10 4775 1 1 33 PRO C C -7.659 -7.778 2.294 1.00 . A A . 33 PRO C 1 1 10 4776 1 1 33 PRO CA C -7.986 -7.654 0.804 1.00 . A A . 33 PRO CA 1 1 10 4777 1 1 33 PRO CB C -8.483 -8.984 0.248 1.00 . A A . 33 PRO CB 1 1 10 4778 1 1 33 PRO CD C -6.349 -8.549 -0.782 1.00 . A A . 33 PRO CD 1 1 10 4779 1 1 33 PRO CG C -7.265 -9.648 -0.306 1.00 . A A . 33 PRO CG 1 1 10 4780 1 1 33 PRO HA H -8.721 -6.881 0.637 1.00 . A A . 33 PRO HA 1 1 10 4781 1 1 33 PRO HB2 H -8.914 -9.583 1.040 1.00 . A A . 33 PRO HB2 1 1 10 4782 1 1 33 PRO HB3 H -9.204 -8.819 -0.537 1.00 . A A . 33 PRO HB3 1 1 10 4783 1 1 33 PRO HD2 H -5.317 -8.806 -0.589 1.00 . A A . 33 PRO HD2 1 1 10 4784 1 1 33 PRO HD3 H -6.505 -8.349 -1.830 1.00 . A A . 33 PRO HD3 1 1 10 4785 1 1 33 PRO HG2 H -6.778 -10.229 0.466 1.00 . A A . 33 PRO HG2 1 1 10 4786 1 1 33 PRO HG3 H -7.533 -10.283 -1.136 1.00 . A A . 33 PRO HG3 1 1 10 4787 1 1 33 PRO N N -6.755 -7.389 0.019 1.00 . A A . 33 PRO N 1 1 10 4788 1 1 33 PRO O O -6.807 -8.549 2.690 1.00 . A A . 33 PRO O 1 1 10 4789 1 1 34 VAL C C -8.544 -8.463 5.122 1.00 . A A . 34 VAL C 1 1 10 4790 1 1 34 VAL CA C -8.069 -7.111 4.586 1.00 . A A . 34 VAL CA 1 1 10 4791 1 1 34 VAL CB C -8.884 -5.968 5.197 1.00 . A A . 34 VAL CB 1 1 10 4792 1 1 34 VAL CG1 C -10.375 -6.241 4.999 1.00 . A A . 34 VAL CG1 1 1 10 4793 1 1 34 VAL CG2 C -8.581 -5.866 6.693 1.00 . A A . 34 VAL CG2 1 1 10 4794 1 1 34 VAL H H -9.020 -6.418 2.781 1.00 . A A . 34 VAL H 1 1 10 4795 1 1 34 VAL HA H -7.019 -6.967 4.791 1.00 . A A . 34 VAL HA 1 1 10 4796 1 1 34 VAL HB H -8.621 -5.041 4.710 1.00 . A A . 34 VAL HB 1 1 10 4797 1 1 34 VAL HG11 H -10.607 -7.240 5.339 1.00 . A A . 34 VAL HG11 1 1 10 4798 1 1 34 VAL HG12 H -10.620 -6.152 3.951 1.00 . A A . 34 VAL HG12 1 1 10 4799 1 1 34 VAL HG13 H -10.950 -5.524 5.565 1.00 . A A . 34 VAL HG13 1 1 10 4800 1 1 34 VAL HG21 H -9.227 -5.126 7.141 1.00 . A A . 34 VAL HG21 1 1 10 4801 1 1 34 VAL HG22 H -7.550 -5.576 6.834 1.00 . A A . 34 VAL HG22 1 1 10 4802 1 1 34 VAL HG23 H -8.752 -6.823 7.163 1.00 . A A . 34 VAL HG23 1 1 10 4803 1 1 34 VAL N N -8.333 -7.029 3.122 1.00 . A A . 34 VAL N 1 1 10 4804 1 1 34 VAL O O -8.251 -8.837 6.240 1.00 . A A . 34 VAL O 1 1 10 4805 1 1 35 GLU C C -10.175 -10.497 6.240 1.00 . A A . 35 GLU C 1 1 10 4806 1 1 35 GLU CA C -9.785 -10.529 4.759 1.00 . A A . 35 GLU CA 1 1 10 4807 1 1 35 GLU CB C -8.624 -11.500 4.514 1.00 . A A . 35 GLU CB 1 1 10 4808 1 1 35 GLU CD C -6.572 -12.515 5.517 1.00 . A A . 35 GLU CD 1 1 10 4809 1 1 35 GLU CG C -7.584 -11.373 5.631 1.00 . A A . 35 GLU CG 1 1 10 4810 1 1 35 GLU H H -9.493 -8.865 3.424 1.00 . A A . 35 GLU H 1 1 10 4811 1 1 35 GLU HA H -10.633 -10.818 4.158 1.00 . A A . 35 GLU HA 1 1 10 4812 1 1 35 GLU HB2 H -9.004 -12.511 4.491 1.00 . A A . 35 GLU HB2 1 1 10 4813 1 1 35 GLU HB3 H -8.160 -11.271 3.566 1.00 . A A . 35 GLU HB3 1 1 10 4814 1 1 35 GLU HG2 H -7.070 -10.425 5.538 1.00 . A A . 35 GLU HG2 1 1 10 4815 1 1 35 GLU HG3 H -8.074 -11.424 6.591 1.00 . A A . 35 GLU HG3 1 1 10 4816 1 1 35 GLU N N -9.277 -9.195 4.321 1.00 . A A . 35 GLU N 1 1 10 4817 1 1 35 GLU O O -10.177 -11.553 6.853 1.00 . A A . 35 GLU O 1 1 10 4818 1 1 35 GLU OXT O -10.463 -9.420 6.734 1.00 . A A . 35 GLU OXT 1 1 10 4819 1 1 35 GLU OE1 O -6.723 -13.327 4.619 1.00 . A A . 35 GLU OE1 1 1 10 4820 1 1 35 GLU OE2 O -5.663 -12.559 6.330 1.00 . A A . 35 GLU OE2 1 1 stop_ save_
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