NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
586973 | 2mk7 | 19759 | cing | 4-filtered-FRED | STAR | entry | full | 13 |
data_FRED_restraints_with_modified_coordinates_PDB_code_2mk7 # This FRED archive file contains, for PDB entry <2mk7>: # # - Coordinates and sequence information from the PDB mmCIF file # - NMR restraints from the PDB MR file # # In this file, the coordinates and NMR restraints share the same atom names, # and in this way can differ from the data deposited at the wwPDB. To achieve # this aim, the NMR restraints were parsed from their original format files, and # the coordinates and NMR restraints information were subsequently harmonized. # # Due to the complexity of this harmonization process and the filtering process # used in creating these files, the NMR restraints information in these files # may differ significantly from that in the originally deposited file. Other # modifications could have occurred to the NMR restraints information, or data # could have been lost because of parsing or conversion errors. The PDB file # remains the authoritative reference for the atomic coordinates and the # originally deposited restraints files remain the primary reference for these # data. # # This file is generated at the BioMagResBank (BMRB) in collaboration with the # PDBe (formerly MSD) group at the European Bioinformatics Institute (EBI) and # the CMBI/IMM group at the Radboud University of Nijmegen. # # Several software packages were used to produce this file: # # - Wattos (BMRB and CMBI/IMM). # - FormatConverter and NMRStarExport (PDBe). # - CCPN framework (http://www.ccpn.ac.uk/). # # More information about this process can be found in the references below. # Please cite the original reference for this PDB entry. # # JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL # Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED # containing converted and filtered sets of experimental NMR restraints and # coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12. # # WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL # Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy: # development of a software pipeline. Proteins 59, 687-696. # # JF Doreleijers, WF Vranken, C Schulte, J Lin, JR Wedell, CJ Penkett, GW Vuister, # G Vriend, JL Markley, and EL Ulrich (2009). The NMR Restraints Grid at BMRB for # 5,266 Protein and Nucleic Acid PDB Entries. J Biomol. NMR 45, 389?396. save_Conversion_project_for_entry_Name_1 _Study_list.Sf_category study_list _Study_list.Entry_ID 1 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 "Conversion project for entry 1" NMR . 1 1 stop_ save_ save_originalConstraints_1 _Entry.PDB_coordinate_file_version . _Entry.Sf_category entry_information _Entry.ID 1 _Entry.Title "Data for entry 1" _Entry.NMR_STAR_version 3.1.0.8 _Entry.Experimental_method NMR _Entry.Details . save_ save_assembly_2mk7 _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 2mk7 _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "not present" _Assembly.Molecular_mass 1213.36 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 $Alpha_dystroglycan A . 1 1 2 . 2 $SUGAR__4_MER_ B . 1 1 stop_ loop_ _PDBX_nonpoly_scheme.Entity_assembly_ID _PDBX_nonpoly_scheme.Entity_ID _PDBX_nonpoly_scheme.Mon_ID _PDBX_nonpoly_scheme.Comp_index_ID _PDBX_nonpoly_scheme.Comp_ID _PDBX_nonpoly_scheme.Entry_ID _PDBX_nonpoly_scheme.Assembly_ID 2 2 A2G 1 A2G 1 1 stop_ save_ save_Alpha_dystroglycan _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name "Alpha dystroglycan" _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code XPPTTTTKKPX _Entity.Number_of_monomers 11 loop_ _Entity_comp_index.ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 ACE $ACE 1 1 2 PRO . 1 1 3 PRO . 1 1 4 THR . 1 1 5 THR . 1 1 6 THR . 1 1 7 THR . 1 1 8 LYS . 1 1 9 LYS . 1 1 10 PRO . 1 1 11 NH2 $NH2 1 1 stop_ loop_ _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID ACE 1 1 1 1 PRO 2 2 1 1 PRO 3 3 1 1 THR 4 4 1 1 THR 5 5 1 1 THR 6 6 1 1 THR 7 7 1 1 LYS 8 8 1 1 LYS 9 9 1 1 PRO 10 10 1 1 NH2 11 11 1 1 stop_ save_ save_SUGAR__4_MER_ _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 2 _Entity.Name "SUGAR 4 MER " _Entity.Type non-polymer 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 A2G $A2G 1 2 stop_ save_ save_ACE _Chem_comp.Sf_category chem_comp _Chem_comp.Entry_ID 1 _Chem_comp.ID ACE _Chem_comp.Type non-polymer save_ save_A2G _Chem_comp.Sf_category chem_comp _Chem_comp.Entry_ID 1 _Chem_comp.ID A2G _Chem_comp.Type non-polymer save_ save_NH2 _Chem_comp.Sf_category chem_comp _Chem_comp.Entry_ID 1 _Chem_comp.ID NH2 _Chem_comp.Type non-polymer save_ save_CNS/XPLOR_distance_constraints_4_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID . _Distance_constraint_list.Block_ID . loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . 1 1 2 1 . . . 1 1 3 1 . . . 1 1 4 1 . . . 1 1 5 1 . . . 1 1 6 1 . . . 1 1 7 1 . . . 1 1 8 1 . . . 1 1 9 1 . . . 1 1 10 1 . . . 1 1 11 1 . . . 1 1 12 1 . . . 1 1 13 1 . . . 1 1 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 1 1 2 PRO HA . 2 PRO HA 1 1 1 1 2 1 1 2 PRO QG . 2 PRO HG# 1 1 2 1 1 1 1 2 PRO HA . 2 PRO HA 1 1 2 1 2 1 1 3 PRO HD2 . 3 PRO HD2 1 1 3 1 1 1 1 3 PRO HA . 3 PRO HA 1 1 3 1 2 1 1 4 THR MG . 4 THR HG2# 1 1 4 1 1 1 1 4 THR HA . 4 THR HA 1 1 4 1 2 1 1 4 THR MG . 4 THR HG2# 1 1 5 1 1 1 1 4 THR HA . 4 THR HA 1 1 5 1 2 1 1 5 THR HA . 5 THR HA 1 1 6 1 1 1 1 5 THR HA . 5 THR HA 1 1 6 1 2 1 1 5 THR MG . 5 THR HG2# 1 1 7 1 1 1 1 6 THR HA . 6 THR HA 1 1 7 1 2 1 1 6 THR MG . 6 THR HG2# 1 1 8 1 1 1 1 6 THR HA . 6 THR HA 1 1 8 1 2 1 1 7 THR HA . 7 THR HA 1 1 9 1 1 1 1 6 THR HA . 6 THR HA 1 1 9 1 2 1 1 7 THR MG . 7 THR HG2# 1 1 10 1 1 1 1 7 THR HA . 7 THR HA 1 1 10 1 2 1 1 7 THR MG . 7 THR HG2# 1 1 11 1 1 1 1 7 THR HA . 7 THR HA 1 1 11 1 2 1 1 8 LYS HA . 8 THR HA 1 1 12 1 1 1 1 9 LYS HA . 9 LYS HA 1 1 12 1 2 1 1 9 LYS QG . 9 LYS HG# 1 1 13 1 1 1 1 9 LYS HA . 9 LYS HA 1 1 13 1 2 1 1 10 PRO HD2 . 10 PRO HD2 1 1 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 3.4 1.8 5.0 1 1 2 1 . . . . . 2.9 1.8 4.0 1 1 3 1 . . . . . 3.4 1.8 5.0 1 1 4 1 . . . . . 3.4 1.8 5.0 1 1 5 1 . . . . . 3.4 1.8 5.0 1 1 6 1 . . . . . 3.4 1.8 5.0 1 1 7 1 . . . . . 3.4 1.8 5.0 1 1 8 1 . . . . . 3.4 1.8 5.0 1 1 9 1 . . . . . 3.4 1.8 5.0 1 1 10 1 . . . . . 3.4 1.8 5.0 1 1 11 1 . . . . . 3.4 1.8 5.0 1 1 12 1 . . . . . 3.4 1.8 5.0 1 1 13 1 . . . . . 2.4 1.8 3.0 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 ACE C C -1.164 -23.394 7.503 1.00 . A A . 1 ACE C 1 1 1 2 1 1 1 ACE CH3 C -2.669 -23.162 7.424 1.00 . A A . 1 ACE CH3 1 1 1 3 1 1 1 ACE H1 H -2.866 -22.268 6.851 1.00 . A A . 1 ACE H1 1 1 1 4 1 1 1 ACE H2 H -3.069 -23.045 8.421 1.00 . A A . 1 ACE H2 1 1 1 5 1 1 1 ACE H3 H -3.139 -24.007 6.944 1.00 . A A . 1 ACE H3 1 1 1 6 1 1 1 ACE O O -0.544 -23.173 8.544 1.00 . A A . 1 ACE O 1 1 1 7 1 1 2 PRO C C 1.708 -22.991 6.994 1.00 . A A . 2 PRO C 1 1 1 8 1 1 2 PRO CA C 0.886 -24.106 6.353 1.00 . A A . 2 PRO CA 1 1 1 9 1 1 2 PRO CB C 1.184 -24.208 4.849 1.00 . A A . 2 PRO CB 1 1 1 10 1 1 2 PRO CD C -1.237 -24.118 5.154 1.00 . A A . 2 PRO CD 1 1 1 11 1 1 2 PRO CG C -0.113 -23.985 4.129 1.00 . A A . 2 PRO CG 1 1 1 12 1 1 2 PRO HA H 1.109 -25.049 6.826 1.00 . A A . 2 PRO HA 1 1 1 13 1 1 2 PRO HB2 H 1.901 -23.451 4.564 1.00 . A A . 2 PRO HB2 1 1 1 14 1 1 2 PRO HB3 H 1.569 -25.189 4.614 1.00 . A A . 2 PRO HB3 1 1 1 15 1 1 2 PRO HD2 H -2.017 -23.395 4.957 1.00 . A A . 2 PRO HD2 1 1 1 16 1 1 2 PRO HD3 H -1.635 -25.120 5.156 1.00 . A A . 2 PRO HD3 1 1 1 17 1 1 2 PRO HG2 H -0.125 -22.996 3.692 1.00 . A A . 2 PRO HG2 1 1 1 18 1 1 2 PRO HG3 H -0.238 -24.729 3.357 1.00 . A A . 2 PRO HG3 1 1 1 19 1 1 2 PRO N N -0.575 -23.833 6.425 1.00 . A A . 2 PRO N 1 1 1 20 1 1 2 PRO O O 1.213 -21.885 7.210 1.00 . A A . 2 PRO O 1 1 1 21 1 1 3 PRO C C 3.772 -20.910 7.272 1.00 . A A . 3 PRO C 1 1 1 22 1 1 3 PRO CA C 3.866 -22.284 7.930 1.00 . A A . 3 PRO CA 1 1 1 23 1 1 3 PRO CB C 5.266 -22.887 7.736 1.00 . A A . 3 PRO CB 1 1 1 24 1 1 3 PRO CD C 3.608 -24.552 7.072 1.00 . A A . 3 PRO CD 1 1 1 25 1 1 3 PRO CG C 5.088 -24.183 7.001 1.00 . A A . 3 PRO CG 1 1 1 26 1 1 3 PRO HA H 3.654 -22.204 8.984 1.00 . A A . 3 PRO HA 1 1 1 27 1 1 3 PRO HB2 H 5.880 -22.213 7.156 1.00 . A A . 3 PRO HB2 1 1 1 28 1 1 3 PRO HB3 H 5.725 -23.071 8.696 1.00 . A A . 3 PRO HB3 1 1 1 29 1 1 3 PRO HD2 H 3.282 -24.992 6.139 1.00 . A A . 3 PRO HD2 1 1 1 30 1 1 3 PRO HD3 H 3.420 -25.220 7.898 1.00 . A A . 3 PRO HD3 1 1 1 31 1 1 3 PRO HG2 H 5.391 -24.064 5.970 1.00 . A A . 3 PRO HG2 1 1 1 32 1 1 3 PRO HG3 H 5.676 -24.956 7.471 1.00 . A A . 3 PRO HG3 1 1 1 33 1 1 3 PRO N N 2.947 -23.268 7.298 1.00 . A A . 3 PRO N 1 1 1 34 1 1 3 PRO O O 4.191 -20.729 6.128 1.00 . A A . 3 PRO O 1 1 1 35 1 1 4 THR C C 4.251 -17.721 7.916 1.00 . A A . 4 THR C 1 1 1 36 1 1 4 THR CA C 3.077 -18.592 7.479 1.00 . A A . 4 THR CA 1 1 1 37 1 1 4 THR CB C 1.768 -17.975 7.977 1.00 . A A . 4 THR CB 1 1 1 38 1 1 4 THR CG2 C 0.586 -18.839 7.534 1.00 . A A . 4 THR CG2 1 1 1 39 1 1 4 THR H H 2.905 -20.148 8.907 1.00 . A A . 4 THR H 1 1 1 40 1 1 4 THR HA H 3.054 -18.634 6.400 1.00 . A A . 4 THR HA 1 1 1 41 1 1 4 THR HB H 1.657 -16.981 7.574 1.00 . A A . 4 THR HB 1 1 1 42 1 1 4 THR HG21 H -0.296 -18.223 7.443 1.00 . A A . 4 THR HG21 1 1 1 43 1 1 4 THR HG22 H 0.411 -19.613 8.267 1.00 . A A . 4 THR HG22 1 1 1 44 1 1 4 THR HG23 H 0.809 -19.292 6.579 1.00 . A A . 4 THR HG23 1 1 1 45 1 1 4 THR N N 3.220 -19.946 8.002 1.00 . A A . 4 THR N 1 1 1 46 1 1 4 THR O O 5.018 -18.097 8.803 1.00 . A A . 4 THR O 1 1 1 47 1 1 4 THR OG1 O 1.798 -17.933 9.387 1.00 . A A . 4 THR OG1 1 1 1 48 1 1 5 THR C C 4.942 -14.216 7.760 1.00 . A A . 5 THR C 1 1 1 49 1 1 5 THR CA C 5.468 -15.641 7.622 1.00 . A A . 5 THR CA 1 1 1 50 1 1 5 THR CB C 6.544 -15.687 6.534 1.00 . A A . 5 THR CB 1 1 1 51 1 1 5 THR CG2 C 6.969 -17.135 6.286 1.00 . A A . 5 THR CG2 1 1 1 52 1 1 5 THR H H 3.741 -16.310 6.591 1.00 . A A . 5 THR H 1 1 1 53 1 1 5 THR HA H 5.908 -15.945 8.560 1.00 . A A . 5 THR HA 1 1 1 54 1 1 5 THR HB H 7.400 -15.109 6.843 1.00 . A A . 5 THR HB 1 1 1 55 1 1 5 THR HG21 H 6.424 -17.531 5.442 1.00 . A A . 5 THR HG21 1 1 1 56 1 1 5 THR HG22 H 6.755 -17.728 7.163 1.00 . A A . 5 THR HG22 1 1 1 57 1 1 5 THR HG23 H 8.028 -17.169 6.079 1.00 . A A . 5 THR HG23 1 1 1 58 1 1 5 THR N N 4.383 -16.557 7.289 1.00 . A A . 5 THR N 1 1 1 59 1 1 5 THR O O 4.062 -13.793 7.010 1.00 . A A . 5 THR O 1 1 1 60 1 1 5 THR OG1 O 6.002 -15.161 5.342 1.00 . A A . 5 THR OG1 1 1 1 61 1 1 6 THR C C 6.105 -11.127 8.407 1.00 . A A . 6 THR C 1 1 1 62 1 1 6 THR CA C 5.065 -12.102 8.950 1.00 . A A . 6 THR CA 1 1 1 63 1 1 6 THR CB C 4.865 -11.857 10.447 1.00 . A A . 6 THR CB 1 1 1 64 1 1 6 THR CG2 C 3.952 -12.935 11.031 1.00 . A A . 6 THR CG2 1 1 1 65 1 1 6 THR H H 6.185 -13.869 9.290 1.00 . A A . 6 THR H 1 1 1 66 1 1 6 THR HA H 4.128 -11.935 8.441 1.00 . A A . 6 THR HA 1 1 1 67 1 1 6 THR HB H 4.420 -10.887 10.601 1.00 . A A . 6 THR HB 1 1 1 68 1 1 6 THR HG21 H 3.230 -13.239 10.287 1.00 . A A . 6 THR HG21 1 1 1 69 1 1 6 THR HG22 H 3.435 -12.541 11.894 1.00 . A A . 6 THR HG22 1 1 1 70 1 1 6 THR HG23 H 4.545 -13.788 11.326 1.00 . A A . 6 THR HG23 1 1 1 71 1 1 6 THR N N 5.487 -13.480 8.723 1.00 . A A . 6 THR N 1 1 1 72 1 1 6 THR O O 7.291 -11.449 8.329 1.00 . A A . 6 THR O 1 1 1 73 1 1 6 THR OG1 O 6.120 -11.928 11.087 1.00 . A A . 6 THR OG1 1 1 1 74 1 1 7 THR C C 6.895 -7.890 8.570 1.00 . A A . 7 THR C 1 1 1 75 1 1 7 THR CA C 6.553 -8.920 7.499 1.00 . A A . 7 THR CA 1 1 1 76 1 1 7 THR CB C 5.901 -8.220 6.304 1.00 . A A . 7 THR CB 1 1 1 77 1 1 7 THR CG2 C 5.523 -9.252 5.241 1.00 . A A . 7 THR CG2 1 1 1 78 1 1 7 THR H H 4.697 -9.734 8.118 1.00 . A A . 7 THR H 1 1 1 79 1 1 7 THR HA H 7.463 -9.398 7.169 1.00 . A A . 7 THR HA 1 1 1 80 1 1 7 THR HB H 6.588 -7.503 5.882 1.00 . A A . 7 THR HB 1 1 1 81 1 1 7 THR HG21 H 5.510 -8.780 4.270 1.00 . A A . 7 THR HG21 1 1 1 82 1 1 7 THR HG22 H 4.544 -9.652 5.460 1.00 . A A . 7 THR HG22 1 1 1 83 1 1 7 THR HG23 H 6.248 -10.052 5.242 1.00 . A A . 7 THR HG23 1 1 1 84 1 1 7 THR N N 5.652 -9.935 8.033 1.00 . A A . 7 THR N 1 1 1 85 1 1 7 THR O O 6.052 -7.530 9.392 1.00 . A A . 7 THR O 1 1 1 86 1 1 7 THR OG1 O 4.729 -7.571 6.747 1.00 . A A . 7 THR OG1 1 1 1 87 1 1 8 LYS C C 8.129 -5.031 9.120 1.00 . A A . 8 LYS C 1 1 1 88 1 1 8 LYS CA C 8.580 -6.429 9.531 1.00 . A A . 8 LYS CA 1 1 1 89 1 1 8 LYS CB C 10.105 -6.460 9.652 1.00 . A A . 8 LYS CB 1 1 1 90 1 1 8 LYS CD C 11.539 -6.077 11.662 1.00 . A A . 8 LYS CD 1 1 1 91 1 1 8 LYS CE C 12.735 -6.636 10.888 1.00 . A A . 8 LYS CE 1 1 1 92 1 1 8 LYS CG C 10.557 -5.427 10.686 1.00 . A A . 8 LYS CG 1 1 1 93 1 1 8 LYS H H 8.767 -7.741 7.877 1.00 . A A . 8 LYS H 1 1 1 94 1 1 8 LYS HA H 8.150 -6.668 10.492 1.00 . A A . 8 LYS HA 1 1 1 95 1 1 8 LYS HB2 H 10.421 -7.445 9.963 1.00 . A A . 8 LYS HB2 1 1 1 96 1 1 8 LYS HB3 H 10.547 -6.226 8.695 1.00 . A A . 8 LYS HB3 1 1 1 97 1 1 8 LYS HD2 H 11.882 -5.339 12.373 1.00 . A A . 8 LYS HD2 1 1 1 98 1 1 8 LYS HD3 H 11.046 -6.881 12.187 1.00 . A A . 8 LYS HD3 1 1 1 99 1 1 8 LYS HE2 H 12.657 -7.711 10.833 1.00 . A A . 8 LYS HE2 1 1 1 100 1 1 8 LYS HE3 H 12.742 -6.223 9.890 1.00 . A A . 8 LYS HE3 1 1 1 101 1 1 8 LYS HG2 H 11.041 -4.603 10.182 1.00 . A A . 8 LYS HG2 1 1 1 102 1 1 8 LYS HG3 H 9.699 -5.063 11.230 1.00 . A A . 8 LYS HG3 1 1 1 103 1 1 8 LYS HZ1 H 14.437 -5.455 11.106 1.00 . A A . 8 LYS HZ1 1 1 1 104 1 1 8 LYS HZ2 H 14.651 -7.074 11.576 1.00 . A A . 8 LYS HZ2 1 1 1 105 1 1 8 LYS HZ3 H 13.785 -6.004 12.572 1.00 . A A . 8 LYS HZ3 1 1 1 106 1 1 8 LYS N N 8.138 -7.418 8.556 1.00 . A A . 8 LYS N 1 1 1 107 1 1 8 LYS NZ N 13.997 -6.264 11.588 1.00 . A A . 8 LYS NZ 1 1 1 108 1 1 8 LYS O O 8.405 -4.582 8.008 1.00 . A A . 8 LYS O 1 1 1 109 1 1 9 LYS C C 8.117 -2.048 9.521 1.00 . A A . 9 LYS C 1 1 1 110 1 1 9 LYS CA C 6.949 -3.003 9.744 1.00 . A A . 9 LYS CA 1 1 1 111 1 1 9 LYS CB C 6.094 -2.502 10.910 1.00 . A A . 9 LYS CB 1 1 1 112 1 1 9 LYS CD C 4.738 -0.574 11.739 1.00 . A A . 9 LYS CD 1 1 1 113 1 1 9 LYS CE C 4.025 0.717 11.334 1.00 . A A . 9 LYS CE 1 1 1 114 1 1 9 LYS CG C 5.388 -1.207 10.507 1.00 . A A . 9 LYS CG 1 1 1 115 1 1 9 LYS H H 7.243 -4.759 10.894 1.00 . A A . 9 LYS H 1 1 1 116 1 1 9 LYS HA H 6.341 -3.028 8.852 1.00 . A A . 9 LYS HA 1 1 1 117 1 1 9 LYS HB2 H 5.358 -3.251 11.164 1.00 . A A . 9 LYS HB2 1 1 1 118 1 1 9 LYS HB3 H 6.726 -2.314 11.765 1.00 . A A . 9 LYS HB3 1 1 1 119 1 1 9 LYS HD2 H 4.023 -1.264 12.163 1.00 . A A . 9 LYS HD2 1 1 1 120 1 1 9 LYS HD3 H 5.498 -0.348 12.471 1.00 . A A . 9 LYS HD3 1 1 1 121 1 1 9 LYS HE2 H 4.554 1.565 11.745 1.00 . A A . 9 LYS HE2 1 1 1 122 1 1 9 LYS HE3 H 4.003 0.794 10.257 1.00 . A A . 9 LYS HE3 1 1 1 123 1 1 9 LYS HG2 H 6.108 -0.520 10.086 1.00 . A A . 9 LYS HG2 1 1 1 124 1 1 9 LYS HG3 H 4.626 -1.425 9.773 1.00 . A A . 9 LYS HG3 1 1 1 125 1 1 9 LYS HZ1 H 2.581 1.259 12.734 1.00 . A A . 9 LYS HZ1 1 1 1 126 1 1 9 LYS HZ2 H 2.347 -0.282 12.057 1.00 . A A . 9 LYS HZ2 1 1 1 127 1 1 9 LYS HZ3 H 1.988 1.111 11.152 1.00 . A A . 9 LYS HZ3 1 1 1 128 1 1 9 LYS N N 7.433 -4.350 10.024 1.00 . A A . 9 LYS N 1 1 1 129 1 1 9 LYS NZ N 2.630 0.700 11.859 1.00 . A A . 9 LYS NZ 1 1 1 130 1 1 9 LYS O O 9.062 -2.010 10.309 1.00 . A A . 9 LYS O 1 1 1 131 1 1 10 PRO C C 9.603 0.486 9.324 1.00 . A A . 10 PRO C 1 1 1 132 1 1 10 PRO CA C 9.134 -0.313 8.111 1.00 . A A . 10 PRO CA 1 1 1 133 1 1 10 PRO CB C 8.486 0.610 7.067 1.00 . A A . 10 PRO CB 1 1 1 134 1 1 10 PRO CD C 6.977 -1.263 7.487 1.00 . A A . 10 PRO CD 1 1 1 135 1 1 10 PRO CG C 7.077 0.130 6.872 1.00 . A A . 10 PRO CG 1 1 1 136 1 1 10 PRO HA H 9.968 -0.828 7.664 1.00 . A A . 10 PRO HA 1 1 1 137 1 1 10 PRO HB2 H 8.484 1.629 7.428 1.00 . A A . 10 PRO HB2 1 1 1 138 1 1 10 PRO HB3 H 9.025 0.549 6.134 1.00 . A A . 10 PRO HB3 1 1 1 139 1 1 10 PRO HD2 H 6.020 -1.394 7.975 1.00 . A A . 10 PRO HD2 1 1 1 140 1 1 10 PRO HD3 H 7.132 -2.024 6.738 1.00 . A A . 10 PRO HD3 1 1 1 141 1 1 10 PRO HG2 H 6.390 0.804 7.365 1.00 . A A . 10 PRO HG2 1 1 1 142 1 1 10 PRO HG3 H 6.850 0.077 5.819 1.00 . A A . 10 PRO HG3 1 1 1 143 1 1 10 PRO N N 8.064 -1.285 8.464 1.00 . A A . 10 PRO N 1 1 1 144 1 1 10 PRO O O 10.744 0.945 9.364 1.00 . A A . 10 PRO O 1 1 1 145 1 1 11 NH2 HN1 H 7.830 0.828 10.150 1.00 . A A . 11 NH2 HN1 1 1 1 146 1 1 11 NH2 HN2 H 9.125 0.701 11.240 1.00 . A A . 11 NH2 HN2 1 1 1 147 1 1 11 NH2 N N 8.783 0.682 10.321 1.00 . A A . 11 NH2 N 1 1 1 148 2 2 1 A2G C1 C 1.861 -16.615 9.885 1.00 . B A . 101 A2G C1 1 1 1 149 2 2 1 A2G C2 C 2.092 -16.686 11.396 1.00 . B A . 101 A2G C2 1 1 1 150 2 2 1 A2G C3 C 0.909 -17.400 12.051 1.00 . B A . 101 A2G C3 1 1 1 151 2 2 1 A2G C4 C -0.393 -16.704 11.649 1.00 . B A . 101 A2G C4 1 1 1 152 2 2 1 A2G C5 C -0.471 -16.610 10.124 1.00 . B A . 101 A2G C5 1 1 1 153 2 2 1 A2G C6 C -1.727 -15.836 9.719 1.00 . B A . 101 A2G C6 1 1 1 154 2 2 1 A2G C7 C 4.329 -16.814 12.332 1.00 . B A . 101 A2G C7 1 1 1 155 2 2 1 A2G C8 C 5.598 -17.642 12.507 1.00 . B A . 101 A2G C8 1 1 1 156 2 2 1 A2G H1 H 2.685 -16.090 9.424 1.00 . B A . 101 A2G H1 1 1 1 157 2 2 1 A2G H14 H -1.953 -16.034 8.681 1.00 . B A . 101 A2G H14 1 1 1 158 2 2 1 A2G H15 H -2.705 -17.181 10.727 1.00 . B A . 101 A2G H15 1 1 1 159 2 2 1 A2G H2 H 2.164 -15.684 11.791 1.00 . B A . 101 A2G H2 1 1 1 160 2 2 1 A2G H3 H 0.883 -18.429 11.724 1.00 . B A . 101 A2G H3 1 1 1 161 2 2 1 A2G H4 H -1.234 -17.272 12.019 1.00 . B A . 101 A2G H4 1 1 1 162 2 2 1 A2G H5 H -0.501 -17.602 9.699 1.00 . B A . 101 A2G H5 1 1 1 163 2 2 1 A2G H6 H -1.559 -14.778 9.855 1.00 . B A . 101 A2G H6 1 1 1 164 2 2 1 A2G H8 H 5.429 -18.408 13.249 1.00 . B A . 101 A2G H8 1 1 1 165 2 2 1 A2G H8A H 6.405 -17.001 12.828 1.00 . B A . 101 A2G H8A 1 1 1 166 2 2 1 A2G H8B H 5.858 -18.104 11.566 1.00 . B A . 101 A2G H8B 1 1 1 167 2 2 1 A2G HN2 H 3.428 -18.331 11.388 1.00 . B A . 101 A2G HN2 1 1 1 168 2 2 1 A2G HO3 H 1.841 -16.848 13.666 1.00 . B A . 101 A2G HO3 1 1 1 169 2 2 1 A2G HO4 H -0.275 -14.769 11.496 1.00 . B A . 101 A2G HO4 1 1 1 170 2 2 1 A2G N2 N 3.330 -17.402 11.681 1.00 . B A . 101 A2G N2 1 1 1 171 2 2 1 A2G O O 0.661 -15.912 9.656 1.00 . B A . 101 A2G O 1 1 1 172 2 2 1 A2G O3 O 1.052 -17.357 13.463 1.00 . B A . 101 A2G O3 1 1 1 173 2 2 1 A2G O4 O -0.423 -15.398 12.207 1.00 . B A . 101 A2G O4 1 1 1 174 2 2 1 A2G O6 O -2.819 -16.250 10.527 1.00 . B A . 101 A2G O6 1 1 1 175 2 2 1 A2G O7 O 4.277 -15.650 12.730 1.00 . B A . 101 A2G O7 1 1 2 176 1 1 1 ACE C C 1.384 -23.988 4.291 1.00 . A A . 1 ACE C 1 1 2 177 1 1 1 ACE CH3 C 2.179 -24.649 3.170 1.00 . A A . 1 ACE CH3 1 1 2 178 1 1 1 ACE H1 H 1.605 -25.465 2.756 1.00 . A A . 1 ACE H1 1 1 2 179 1 1 1 ACE H2 H 3.111 -25.027 3.564 1.00 . A A . 1 ACE H2 1 1 2 180 1 1 1 ACE H3 H 2.381 -23.923 2.397 1.00 . A A . 1 ACE H3 1 1 2 181 1 1 1 ACE O O 1.282 -22.763 4.357 1.00 . A A . 1 ACE O 1 1 2 182 1 1 2 PRO C C 0.691 -23.099 7.012 1.00 . A A . 2 PRO C 1 1 2 183 1 1 2 PRO CA C 0.019 -24.279 6.313 1.00 . A A . 2 PRO CA 1 1 2 184 1 1 2 PRO CB C -0.089 -25.484 7.261 1.00 . A A . 2 PRO CB 1 1 2 185 1 1 2 PRO CD C 0.899 -26.239 5.159 1.00 . A A . 2 PRO CD 1 1 2 186 1 1 2 PRO CG C 0.661 -26.616 6.619 1.00 . A A . 2 PRO CG 1 1 2 187 1 1 2 PRO HA H -0.966 -23.999 5.979 1.00 . A A . 2 PRO HA 1 1 2 188 1 1 2 PRO HB2 H 0.354 -25.242 8.217 1.00 . A A . 2 PRO HB2 1 1 2 189 1 1 2 PRO HB3 H -1.124 -25.759 7.392 1.00 . A A . 2 PRO HB3 1 1 2 190 1 1 2 PRO HD2 H 1.876 -26.572 4.837 1.00 . A A . 2 PRO HD2 1 1 2 191 1 1 2 PRO HD3 H 0.127 -26.650 4.528 1.00 . A A . 2 PRO HD3 1 1 2 192 1 1 2 PRO HG2 H 1.605 -26.761 7.123 1.00 . A A . 2 PRO HG2 1 1 2 193 1 1 2 PRO HG3 H 0.074 -27.519 6.667 1.00 . A A . 2 PRO HG3 1 1 2 194 1 1 2 PRO N N 0.825 -24.779 5.167 1.00 . A A . 2 PRO N 1 1 2 195 1 1 2 PRO O O 0.086 -22.042 7.190 1.00 . A A . 2 PRO O 1 1 2 196 1 1 3 PRO C C 2.534 -20.845 7.447 1.00 . A A . 3 PRO C 1 1 2 197 1 1 3 PRO CA C 2.702 -22.211 8.107 1.00 . A A . 3 PRO CA 1 1 2 198 1 1 3 PRO CB C 4.161 -22.685 8.016 1.00 . A A . 3 PRO CB 1 1 2 199 1 1 3 PRO CD C 2.712 -24.484 7.225 1.00 . A A . 3 PRO CD 1 1 2 200 1 1 3 PRO CG C 4.155 -23.984 7.265 1.00 . A A . 3 PRO CG 1 1 2 201 1 1 3 PRO HA H 2.407 -22.160 9.143 1.00 . A A . 3 PRO HA 1 1 2 202 1 1 3 PRO HB2 H 4.753 -21.952 7.484 1.00 . A A . 3 PRO HB2 1 1 2 203 1 1 3 PRO HB3 H 4.563 -22.836 9.006 1.00 . A A . 3 PRO HB3 1 1 2 204 1 1 3 PRO HD2 H 2.496 -24.943 6.270 1.00 . A A . 3 PRO HD2 1 1 2 205 1 1 3 PRO HD3 H 2.525 -25.174 8.034 1.00 . A A . 3 PRO HD3 1 1 2 206 1 1 3 PRO HG2 H 4.521 -23.828 6.260 1.00 . A A . 3 PRO HG2 1 1 2 207 1 1 3 PRO HG3 H 4.773 -24.706 7.776 1.00 . A A . 3 PRO HG3 1 1 2 208 1 1 3 PRO N N 1.923 -23.267 7.406 1.00 . A A . 3 PRO N 1 1 2 209 1 1 3 PRO O O 2.046 -20.744 6.322 1.00 . A A . 3 PRO O 1 1 2 210 1 1 4 THR C C 4.017 -17.593 8.077 1.00 . A A . 4 THR C 1 1 2 211 1 1 4 THR CA C 2.830 -18.440 7.630 1.00 . A A . 4 THR CA 1 1 2 212 1 1 4 THR CB C 1.530 -17.797 8.115 1.00 . A A . 4 THR CB 1 1 2 213 1 1 4 THR CG2 C 0.335 -18.635 7.660 1.00 . A A . 4 THR CG2 1 1 2 214 1 1 4 THR H H 3.323 -19.937 9.048 1.00 . A A . 4 THR H 1 1 2 215 1 1 4 THR HA H 2.817 -18.483 6.551 1.00 . A A . 4 THR HA 1 1 2 216 1 1 4 THR HB H 1.443 -16.800 7.713 1.00 . A A . 4 THR HB 1 1 2 217 1 1 4 THR HG21 H 0.521 -19.020 6.668 1.00 . A A . 4 THR HG21 1 1 2 218 1 1 4 THR HG22 H -0.553 -18.020 7.646 1.00 . A A . 4 THR HG22 1 1 2 219 1 1 4 THR HG23 H 0.191 -19.459 8.343 1.00 . A A . 4 THR HG23 1 1 2 220 1 1 4 THR N N 2.941 -19.796 8.156 1.00 . A A . 4 THR N 1 1 2 221 1 1 4 THR O O 4.764 -17.980 8.976 1.00 . A A . 4 THR O 1 1 2 222 1 1 4 THR OG1 O 1.546 -17.756 9.526 1.00 . A A . 4 THR OG1 1 1 2 223 1 1 5 THR C C 4.790 -14.106 7.904 1.00 . A A . 5 THR C 1 1 2 224 1 1 5 THR CA C 5.286 -15.543 7.783 1.00 . A A . 5 THR CA 1 1 2 225 1 1 5 THR CB C 6.374 -15.623 6.711 1.00 . A A . 5 THR CB 1 1 2 226 1 1 5 THR CG2 C 6.781 -17.081 6.493 1.00 . A A . 5 THR CG2 1 1 2 227 1 1 5 THR H H 3.558 -16.182 6.734 1.00 . A A . 5 THR H 1 1 2 228 1 1 5 THR HA H 5.705 -15.850 8.730 1.00 . A A . 5 THR HA 1 1 2 229 1 1 5 THR HB H 7.235 -15.053 7.022 1.00 . A A . 5 THR HB 1 1 2 230 1 1 5 THR HG21 H 6.242 -17.482 5.647 1.00 . A A . 5 THR HG21 1 1 2 231 1 1 5 THR HG22 H 6.546 -17.657 7.375 1.00 . A A . 5 THR HG22 1 1 2 232 1 1 5 THR HG23 H 7.843 -17.133 6.300 1.00 . A A . 5 THR HG23 1 1 2 233 1 1 5 THR N N 4.185 -16.438 7.443 1.00 . A A . 5 THR N 1 1 2 234 1 1 5 THR O O 3.894 -13.685 7.172 1.00 . A A . 5 THR O 1 1 2 235 1 1 5 THR OG1 O 5.856 -15.108 5.504 1.00 . A A . 5 THR OG1 1 1 2 236 1 1 6 THR C C 6.030 -11.024 8.437 1.00 . A A . 6 THR C 1 1 2 237 1 1 6 THR CA C 4.990 -11.968 9.036 1.00 . A A . 6 THR CA 1 1 2 238 1 1 6 THR CB C 4.843 -11.683 10.532 1.00 . A A . 6 THR CB 1 1 2 239 1 1 6 THR CG2 C 3.915 -12.718 11.168 1.00 . A A . 6 THR CG2 1 1 2 240 1 1 6 THR H H 6.088 -13.746 9.384 1.00 . A A . 6 THR H 1 1 2 241 1 1 6 THR HA H 4.040 -11.794 8.554 1.00 . A A . 6 THR HA 1 1 2 242 1 1 6 THR HB H 4.433 -10.695 10.678 1.00 . A A . 6 THR HB 1 1 2 243 1 1 6 THR HG21 H 4.493 -13.577 11.477 1.00 . A A . 6 THR HG21 1 1 2 244 1 1 6 THR HG22 H 3.171 -13.024 10.450 1.00 . A A . 6 THR HG22 1 1 2 245 1 1 6 THR HG23 H 3.428 -12.285 12.030 1.00 . A A . 6 THR HG23 1 1 2 246 1 1 6 THR N N 5.380 -13.357 8.830 1.00 . A A . 6 THR N 1 1 2 247 1 1 6 THR O O 7.199 -11.384 8.296 1.00 . A A . 6 THR O 1 1 2 248 1 1 6 THR OG1 O 6.115 -11.777 11.136 1.00 . A A . 6 THR OG1 1 1 2 249 1 1 7 THR C C 6.928 -7.814 8.552 1.00 . A A . 7 THR C 1 1 2 250 1 1 7 THR CA C 6.497 -8.833 7.502 1.00 . A A . 7 THR CA 1 1 2 251 1 1 7 THR CB C 5.805 -8.112 6.343 1.00 . A A . 7 THR CB 1 1 2 252 1 1 7 THR CG2 C 5.388 -9.126 5.277 1.00 . A A . 7 THR CG2 1 1 2 253 1 1 7 THR H H 4.653 -9.589 8.221 1.00 . A A . 7 THR H 1 1 2 254 1 1 7 THR HA H 7.373 -9.339 7.124 1.00 . A A . 7 THR HA 1 1 2 255 1 1 7 THR HB H 6.478 -7.389 5.908 1.00 . A A . 7 THR HB 1 1 2 256 1 1 7 THR HG21 H 5.320 -8.634 4.318 1.00 . A A . 7 THR HG21 1 1 2 257 1 1 7 THR HG22 H 4.427 -9.546 5.536 1.00 . A A . 7 THR HG22 1 1 2 258 1 1 7 THR HG23 H 6.123 -9.916 5.225 1.00 . A A . 7 THR HG23 1 1 2 259 1 1 7 THR N N 5.595 -9.820 8.086 1.00 . A A . 7 THR N 1 1 2 260 1 1 7 THR O O 6.142 -7.429 9.418 1.00 . A A . 7 THR O 1 1 2 261 1 1 7 THR OG1 O 4.650 -7.470 6.837 1.00 . A A . 7 THR OG1 1 1 2 262 1 1 8 LYS C C 8.278 -4.995 9.030 1.00 . A A . 8 LYS C 1 1 2 263 1 1 8 LYS CA C 8.707 -6.406 9.418 1.00 . A A . 8 LYS CA 1 1 2 264 1 1 8 LYS CB C 10.235 -6.484 9.457 1.00 . A A . 8 LYS CB 1 1 2 265 1 1 8 LYS CD C 12.169 -5.581 10.757 1.00 . A A . 8 LYS CD 1 1 2 266 1 1 8 LYS CE C 12.785 -4.315 11.354 1.00 . A A . 8 LYS CE 1 1 2 267 1 1 8 LYS CG C 10.792 -5.253 10.175 1.00 . A A . 8 LYS CG 1 1 2 268 1 1 8 LYS H H 8.764 -7.723 7.759 1.00 . A A . 8 LYS H 1 1 2 269 1 1 8 LYS HA H 8.323 -6.632 10.402 1.00 . A A . 8 LYS HA 1 1 2 270 1 1 8 LYS HB2 H 10.537 -7.377 9.984 1.00 . A A . 8 LYS HB2 1 1 2 271 1 1 8 LYS HB3 H 10.619 -6.514 8.448 1.00 . A A . 8 LYS HB3 1 1 2 272 1 1 8 LYS HD2 H 12.063 -6.330 11.529 1.00 . A A . 8 LYS HD2 1 1 2 273 1 1 8 LYS HD3 H 12.810 -5.959 9.975 1.00 . A A . 8 LYS HD3 1 1 2 274 1 1 8 LYS HE2 H 13.661 -4.578 11.929 1.00 . A A . 8 LYS HE2 1 1 2 275 1 1 8 LYS HE3 H 13.066 -3.642 10.558 1.00 . A A . 8 LYS HE3 1 1 2 276 1 1 8 LYS HG2 H 10.883 -4.438 9.473 1.00 . A A . 8 LYS HG2 1 1 2 277 1 1 8 LYS HG3 H 10.124 -4.970 10.974 1.00 . A A . 8 LYS HG3 1 1 2 278 1 1 8 LYS HZ1 H 11.334 -2.868 11.726 1.00 . A A . 8 LYS HZ1 1 1 2 279 1 1 8 LYS HZ2 H 12.275 -3.274 13.082 1.00 . A A . 8 LYS HZ2 1 1 2 280 1 1 8 LYS HZ3 H 11.069 -4.337 12.533 1.00 . A A . 8 LYS HZ3 1 1 2 281 1 1 8 LYS N N 8.182 -7.381 8.470 1.00 . A A . 8 LYS N 1 1 2 282 1 1 8 LYS NZ N 11.791 -3.649 12.241 1.00 . A A . 8 LYS NZ 1 1 2 283 1 1 8 LYS O O 8.151 -4.678 7.847 1.00 . A A . 8 LYS O 1 1 2 284 1 1 9 LYS C C 8.724 -2.018 9.025 1.00 . A A . 9 LYS C 1 1 2 285 1 1 9 LYS CA C 7.641 -2.777 9.784 1.00 . A A . 9 LYS CA 1 1 2 286 1 1 9 LYS CB C 7.354 -2.069 11.111 1.00 . A A . 9 LYS CB 1 1 2 287 1 1 9 LYS CD C 4.960 -1.524 11.578 1.00 . A A . 9 LYS CD 1 1 2 288 1 1 9 LYS CE C 3.661 -2.038 12.200 1.00 . A A . 9 LYS CE 1 1 2 289 1 1 9 LYS CG C 6.045 -2.597 11.700 1.00 . A A . 9 LYS CG 1 1 2 290 1 1 9 LYS H H 8.173 -4.461 10.957 1.00 . A A . 9 LYS H 1 1 2 291 1 1 9 LYS HA H 6.737 -2.784 9.193 1.00 . A A . 9 LYS HA 1 1 2 292 1 1 9 LYS HB2 H 8.163 -2.259 11.801 1.00 . A A . 9 LYS HB2 1 1 2 293 1 1 9 LYS HB3 H 7.268 -1.007 10.941 1.00 . A A . 9 LYS HB3 1 1 2 294 1 1 9 LYS HD2 H 5.280 -0.631 12.096 1.00 . A A . 9 LYS HD2 1 1 2 295 1 1 9 LYS HD3 H 4.795 -1.297 10.536 1.00 . A A . 9 LYS HD3 1 1 2 296 1 1 9 LYS HE2 H 2.922 -2.179 11.424 1.00 . A A . 9 LYS HE2 1 1 2 297 1 1 9 LYS HE3 H 3.846 -2.980 12.694 1.00 . A A . 9 LYS HE3 1 1 2 298 1 1 9 LYS HG2 H 5.739 -3.482 11.160 1.00 . A A . 9 LYS HG2 1 1 2 299 1 1 9 LYS HG3 H 6.191 -2.843 12.741 1.00 . A A . 9 LYS HG3 1 1 2 300 1 1 9 LYS HZ1 H 2.445 -1.496 13.801 1.00 . A A . 9 LYS HZ1 1 1 2 301 1 1 9 LYS HZ2 H 2.728 -0.243 12.688 1.00 . A A . 9 LYS HZ2 1 1 2 302 1 1 9 LYS HZ3 H 3.947 -0.709 13.776 1.00 . A A . 9 LYS HZ3 1 1 2 303 1 1 9 LYS N N 8.056 -4.152 10.034 1.00 . A A . 9 LYS N 1 1 2 304 1 1 9 LYS NZ N 3.157 -1.046 13.191 1.00 . A A . 9 LYS NZ 1 1 2 305 1 1 9 LYS O O 9.913 -2.308 9.163 1.00 . A A . 9 LYS O 1 1 2 306 1 1 10 PRO C C 10.488 0.204 8.236 1.00 . A A . 10 PRO C 1 1 2 307 1 1 10 PRO CA C 9.273 -0.240 7.423 1.00 . A A . 10 PRO CA 1 1 2 308 1 1 10 PRO CB C 8.442 0.974 6.979 1.00 . A A . 10 PRO CB 1 1 2 309 1 1 10 PRO CD C 6.945 -0.652 8.018 1.00 . A A . 10 PRO CD 1 1 2 310 1 1 10 PRO CG C 7.066 0.798 7.554 1.00 . A A . 10 PRO CG 1 1 2 311 1 1 10 PRO HA H 9.592 -0.792 6.553 1.00 . A A . 10 PRO HA 1 1 2 312 1 1 10 PRO HB2 H 8.887 1.884 7.356 1.00 . A A . 10 PRO HB2 1 1 2 313 1 1 10 PRO HB3 H 8.385 1.009 5.901 1.00 . A A . 10 PRO HB3 1 1 2 314 1 1 10 PRO HD2 H 6.381 -0.709 8.939 1.00 . A A . 10 PRO HD2 1 1 2 315 1 1 10 PRO HD3 H 6.490 -1.261 7.251 1.00 . A A . 10 PRO HD3 1 1 2 316 1 1 10 PRO HG2 H 6.932 1.467 8.393 1.00 . A A . 10 PRO HG2 1 1 2 317 1 1 10 PRO HG3 H 6.323 0.999 6.799 1.00 . A A . 10 PRO HG3 1 1 2 318 1 1 10 PRO N N 8.332 -1.061 8.232 1.00 . A A . 10 PRO N 1 1 2 319 1 1 10 PRO O O 10.394 0.371 9.451 1.00 . A A . 10 PRO O 1 1 2 320 1 1 11 NH2 HN1 H 11.991 -0.279 7.031 1.00 . A A . 11 NH2 HN1 1 1 2 321 1 1 11 NH2 HN2 H 12.122 1.236 7.784 1.00 . A A . 11 NH2 HN2 1 1 2 322 1 1 11 NH2 N N 11.627 0.404 7.632 1.00 . A A . 11 NH2 N 1 1 2 323 2 2 1 A2G C1 C 1.606 -16.439 10.028 1.00 . B A . 101 A2G C1 1 1 2 324 2 2 1 A2G C2 C 1.875 -16.512 11.532 1.00 . B A . 101 A2G C2 1 1 2 325 2 2 1 A2G C3 C 0.720 -17.244 12.216 1.00 . B A . 101 A2G C3 1 1 2 326 2 2 1 A2G C4 C -0.606 -16.574 11.843 1.00 . B A . 101 A2G C4 1 1 2 327 2 2 1 A2G C5 C -0.720 -16.464 10.320 1.00 . B A . 101 A2G C5 1 1 2 328 2 2 1 A2G C6 C -1.993 -15.699 9.954 1.00 . B A . 101 A2G C6 1 1 2 329 2 2 1 A2G C7 C 4.134 -16.614 12.418 1.00 . B A . 101 A2G C7 1 1 2 330 2 2 1 A2G C8 C 5.380 -17.461 12.654 1.00 . B A . 101 A2G C8 1 1 2 331 2 2 1 A2G H1 H 2.411 -15.903 9.548 1.00 . B A . 101 A2G H1 1 1 2 332 2 2 1 A2G H14 H -2.079 -15.636 8.879 1.00 . B A . 101 A2G H14 1 1 2 333 2 2 1 A2G H15 H -3.606 -15.765 11.037 1.00 . B A . 101 A2G H15 1 1 2 334 2 2 1 A2G H2 H 1.944 -15.510 11.928 1.00 . B A . 101 A2G H2 1 1 2 335 2 2 1 A2G H3 H 0.706 -18.275 11.895 1.00 . B A . 101 A2G H3 1 1 2 336 2 2 1 A2G H4 H -1.426 -17.165 12.224 1.00 . B A . 101 A2G H4 1 1 2 337 2 2 1 A2G H5 H -0.752 -17.452 9.884 1.00 . B A . 101 A2G H5 1 1 2 338 2 2 1 A2G H6 H -1.947 -14.703 10.370 1.00 . B A . 101 A2G H6 1 1 2 339 2 2 1 A2G H8 H 5.104 -18.368 13.173 1.00 . B A . 101 A2G H8 1 1 2 340 2 2 1 A2G H8A H 6.086 -16.904 13.252 1.00 . B A . 101 A2G H8A 1 1 2 341 2 2 1 A2G H8B H 5.830 -17.713 11.705 1.00 . B A . 101 A2G H8B 1 1 2 342 2 2 1 A2G HN2 H 3.236 -18.136 11.479 1.00 . B A . 101 A2G HN2 1 1 2 343 2 2 1 A2G HO3 H 1.788 -16.885 13.800 1.00 . B A . 101 A2G HO3 1 1 2 344 2 2 1 A2G HO4 H -0.667 -14.636 11.699 1.00 . B A . 101 A2G HO4 1 1 2 345 2 2 1 A2G N2 N 3.131 -17.210 11.783 1.00 . B A . 101 A2G N2 1 1 2 346 2 2 1 A2G O O 0.393 -15.750 9.831 1.00 . B A . 101 A2G O 1 1 2 347 2 2 1 A2G O3 O 0.896 -17.191 13.625 1.00 . B A . 101 A2G O3 1 1 2 348 2 2 1 A2G O4 O -0.655 -15.275 12.414 1.00 . B A . 101 A2G O4 1 1 2 349 2 2 1 A2G O6 O -3.123 -16.379 10.479 1.00 . B A . 101 A2G O6 1 1 2 350 2 2 1 A2G O7 O 4.073 -15.454 12.828 1.00 . B A . 101 A2G O7 1 1 3 351 1 1 1 ACE C C -0.502 -22.761 6.649 1.00 . A A . 1 ACE C 1 1 3 352 1 1 1 ACE CH3 C -1.364 -23.520 5.646 1.00 . A A . 1 ACE CH3 1 1 3 353 1 1 1 ACE H1 H -0.758 -24.253 5.132 1.00 . A A . 1 ACE H1 1 1 3 354 1 1 1 ACE H2 H -1.774 -22.826 4.927 1.00 . A A . 1 ACE H2 1 1 3 355 1 1 1 ACE H3 H -2.168 -24.018 6.166 1.00 . A A . 1 ACE H3 1 1 3 356 1 1 1 ACE O O -0.147 -21.603 6.429 1.00 . A A . 1 ACE O 1 1 3 357 1 1 2 PRO C C 1.868 -22.030 8.236 1.00 . A A . 2 PRO C 1 1 3 358 1 1 2 PRO CA C 0.670 -22.782 8.808 1.00 . A A . 2 PRO CA 1 1 3 359 1 1 2 PRO CB C 1.131 -23.972 9.664 1.00 . A A . 2 PRO CB 1 1 3 360 1 1 2 PRO CD C -0.544 -24.766 8.073 1.00 . A A . 2 PRO CD 1 1 3 361 1 1 2 PRO CG C 0.545 -25.209 9.048 1.00 . A A . 2 PRO CG 1 1 3 362 1 1 2 PRO HA H 0.071 -22.120 9.410 1.00 . A A . 2 PRO HA 1 1 3 363 1 1 2 PRO HB2 H 2.210 -24.033 9.660 1.00 . A A . 2 PRO HB2 1 1 3 364 1 1 2 PRO HB3 H 0.770 -23.863 10.675 1.00 . A A . 2 PRO HB3 1 1 3 365 1 1 2 PRO HD2 H -0.540 -25.391 7.191 1.00 . A A . 2 PRO HD2 1 1 3 366 1 1 2 PRO HD3 H -1.512 -24.781 8.550 1.00 . A A . 2 PRO HD3 1 1 3 367 1 1 2 PRO HG2 H 1.314 -25.755 8.519 1.00 . A A . 2 PRO HG2 1 1 3 368 1 1 2 PRO HG3 H 0.112 -25.833 9.815 1.00 . A A . 2 PRO HG3 1 1 3 369 1 1 2 PRO N N -0.165 -23.395 7.739 1.00 . A A . 2 PRO N 1 1 3 370 1 1 2 PRO O O 2.082 -20.857 8.540 1.00 . A A . 2 PRO O 1 1 3 371 1 1 3 PRO C C 3.583 -20.683 6.256 1.00 . A A . 3 PRO C 1 1 3 372 1 1 3 PRO CA C 3.853 -22.088 6.789 1.00 . A A . 3 PRO CA 1 1 3 373 1 1 3 PRO CB C 4.205 -23.049 5.643 1.00 . A A . 3 PRO CB 1 1 3 374 1 1 3 PRO CD C 2.456 -24.076 7.002 1.00 . A A . 3 PRO CD 1 1 3 375 1 1 3 PRO CG C 3.185 -24.149 5.662 1.00 . A A . 3 PRO CG 1 1 3 376 1 1 3 PRO HA H 4.665 -22.064 7.497 1.00 . A A . 3 PRO HA 1 1 3 377 1 1 3 PRO HB2 H 4.167 -22.525 4.697 1.00 . A A . 3 PRO HB2 1 1 3 378 1 1 3 PRO HB3 H 5.191 -23.461 5.796 1.00 . A A . 3 PRO HB3 1 1 3 379 1 1 3 PRO HD2 H 1.406 -24.299 6.875 1.00 . A A . 3 PRO HD2 1 1 3 380 1 1 3 PRO HD3 H 2.906 -24.745 7.718 1.00 . A A . 3 PRO HD3 1 1 3 381 1 1 3 PRO HG2 H 2.483 -24.012 4.851 1.00 . A A . 3 PRO HG2 1 1 3 382 1 1 3 PRO HG3 H 3.674 -25.106 5.569 1.00 . A A . 3 PRO HG3 1 1 3 383 1 1 3 PRO N N 2.645 -22.688 7.418 1.00 . A A . 3 PRO N 1 1 3 384 1 1 3 PRO O O 3.160 -20.515 5.112 1.00 . A A . 3 PRO O 1 1 3 385 1 1 4 THR C C 4.655 -17.383 7.331 1.00 . A A . 4 THR C 1 1 3 386 1 1 4 THR CA C 3.611 -18.295 6.693 1.00 . A A . 4 THR CA 1 1 3 387 1 1 4 THR CB C 2.210 -17.845 7.114 1.00 . A A . 4 THR CB 1 1 3 388 1 1 4 THR CG2 C 1.155 -18.672 6.379 1.00 . A A . 4 THR CG2 1 1 3 389 1 1 4 THR H H 4.163 -19.875 7.992 1.00 . A A . 4 THR H 1 1 3 390 1 1 4 THR HA H 3.692 -18.223 5.619 1.00 . A A . 4 THR HA 1 1 3 391 1 1 4 THR HB H 2.077 -16.801 6.878 1.00 . A A . 4 THR HB 1 1 3 392 1 1 4 THR HG21 H 0.229 -18.119 6.337 1.00 . A A . 4 THR HG21 1 1 3 393 1 1 4 THR HG22 H 0.996 -19.601 6.906 1.00 . A A . 4 THR HG22 1 1 3 394 1 1 4 THR HG23 H 1.496 -18.881 5.376 1.00 . A A . 4 THR HG23 1 1 3 395 1 1 4 THR N N 3.829 -19.681 7.093 1.00 . A A . 4 THR N 1 1 3 396 1 1 4 THR O O 5.123 -17.640 8.439 1.00 . A A . 4 THR O 1 1 3 397 1 1 4 THR OG1 O 2.068 -18.054 8.502 1.00 . A A . 4 THR OG1 1 1 3 398 1 1 5 THR C C 5.330 -14.089 7.595 1.00 . A A . 5 THR C 1 1 3 399 1 1 5 THR CA C 6.005 -15.375 7.128 1.00 . A A . 5 THR CA 1 1 3 400 1 1 5 THR CB C 7.025 -15.052 6.035 1.00 . A A . 5 THR CB 1 1 3 401 1 1 5 THR CG2 C 7.700 -16.339 5.557 1.00 . A A . 5 THR CG2 1 1 3 402 1 1 5 THR H H 4.607 -16.164 5.744 1.00 . A A . 5 THR H 1 1 3 403 1 1 5 THR HA H 6.520 -15.823 7.965 1.00 . A A . 5 THR HA 1 1 3 404 1 1 5 THR HB H 7.773 -14.376 6.422 1.00 . A A . 5 THR HB 1 1 3 405 1 1 5 THR HG21 H 7.216 -16.685 4.656 1.00 . A A . 5 THR HG21 1 1 3 406 1 1 5 THR HG22 H 7.615 -17.095 6.323 1.00 . A A . 5 THR HG22 1 1 3 407 1 1 5 THR HG23 H 8.743 -16.145 5.356 1.00 . A A . 5 THR HG23 1 1 3 408 1 1 5 THR N N 5.015 -16.318 6.621 1.00 . A A . 5 THR N 1 1 3 409 1 1 5 THR O O 4.382 -13.613 6.969 1.00 . A A . 5 THR O 1 1 3 410 1 1 5 THR OG1 O 6.349 -14.461 4.947 1.00 . A A . 5 THR OG1 1 1 3 411 1 1 6 THR C C 6.170 -11.114 8.922 1.00 . A A . 6 THR C 1 1 3 412 1 1 6 THR CA C 5.262 -12.300 9.234 1.00 . A A . 6 THR CA 1 1 3 413 1 1 6 THR CB C 5.087 -12.426 10.750 1.00 . A A . 6 THR CB 1 1 3 414 1 1 6 THR CG2 C 4.348 -13.723 11.080 1.00 . A A . 6 THR CG2 1 1 3 415 1 1 6 THR H H 6.583 -13.956 9.150 1.00 . A A . 6 THR H 1 1 3 416 1 1 6 THR HA H 4.296 -12.128 8.785 1.00 . A A . 6 THR HA 1 1 3 417 1 1 6 THR HB H 4.523 -11.585 11.122 1.00 . A A . 6 THR HB 1 1 3 418 1 1 6 THR HG21 H 5.049 -14.545 11.084 1.00 . A A . 6 THR HG21 1 1 3 419 1 1 6 THR HG22 H 3.586 -13.903 10.335 1.00 . A A . 6 THR HG22 1 1 3 420 1 1 6 THR HG23 H 3.887 -13.637 12.053 1.00 . A A . 6 THR HG23 1 1 3 421 1 1 6 THR N N 5.826 -13.532 8.694 1.00 . A A . 6 THR N 1 1 3 422 1 1 6 THR O O 7.395 -11.227 8.972 1.00 . A A . 6 THR O 1 1 3 423 1 1 6 THR OG1 O 6.363 -12.463 11.350 1.00 . A A . 6 THR OG1 1 1 3 424 1 1 7 THR C C 6.359 -7.830 9.480 1.00 . A A . 7 THR C 1 1 3 425 1 1 7 THR CA C 6.325 -8.776 8.284 1.00 . A A . 7 THR CA 1 1 3 426 1 1 7 THR CB C 5.701 -8.062 7.083 1.00 . A A . 7 THR CB 1 1 3 427 1 1 7 THR CG2 C 5.539 -9.045 5.922 1.00 . A A . 7 THR CG2 1 1 3 428 1 1 7 THR H H 4.582 -9.946 8.578 1.00 . A A . 7 THR H 1 1 3 429 1 1 7 THR HA H 7.336 -9.059 8.033 1.00 . A A . 7 THR HA 1 1 3 430 1 1 7 THR HB H 6.333 -7.244 6.776 1.00 . A A . 7 THR HB 1 1 3 431 1 1 7 THR HG21 H 5.545 -8.502 4.988 1.00 . A A . 7 THR HG21 1 1 3 432 1 1 7 THR HG22 H 4.603 -9.573 6.025 1.00 . A A . 7 THR HG22 1 1 3 433 1 1 7 THR HG23 H 6.355 -9.752 5.933 1.00 . A A . 7 THR HG23 1 1 3 434 1 1 7 THR N N 5.562 -9.977 8.602 1.00 . A A . 7 THR N 1 1 3 435 1 1 7 THR O O 5.662 -8.043 10.472 1.00 . A A . 7 THR O 1 1 3 436 1 1 7 THR OG1 O 4.427 -7.584 7.456 1.00 . A A . 7 THR OG1 1 1 3 437 1 1 8 LYS C C 7.848 -4.493 9.934 1.00 . A A . 8 LYS C 1 1 3 438 1 1 8 LYS CA C 7.288 -5.811 10.457 1.00 . A A . 8 LYS CA 1 1 3 439 1 1 8 LYS CB C 8.203 -6.357 11.556 1.00 . A A . 8 LYS CB 1 1 3 440 1 1 8 LYS CD C 8.858 -5.802 13.903 1.00 . A A . 8 LYS CD 1 1 3 441 1 1 8 LYS CE C 9.570 -4.753 14.760 1.00 . A A . 8 LYS CE 1 1 3 442 1 1 8 LYS CG C 8.583 -5.225 12.514 1.00 . A A . 8 LYS CG 1 1 3 443 1 1 8 LYS H H 7.704 -6.665 8.563 1.00 . A A . 8 LYS H 1 1 3 444 1 1 8 LYS HA H 6.309 -5.634 10.877 1.00 . A A . 8 LYS HA 1 1 3 445 1 1 8 LYS HB2 H 7.687 -7.132 12.102 1.00 . A A . 8 LYS HB2 1 1 3 446 1 1 8 LYS HB3 H 9.098 -6.763 11.110 1.00 . A A . 8 LYS HB3 1 1 3 447 1 1 8 LYS HD2 H 7.923 -6.076 14.371 1.00 . A A . 8 LYS HD2 1 1 3 448 1 1 8 LYS HD3 H 9.486 -6.675 13.813 1.00 . A A . 8 LYS HD3 1 1 3 449 1 1 8 LYS HE2 H 9.270 -4.867 15.791 1.00 . A A . 8 LYS HE2 1 1 3 450 1 1 8 LYS HE3 H 10.639 -4.886 14.679 1.00 . A A . 8 LYS HE3 1 1 3 451 1 1 8 LYS HG2 H 9.468 -4.726 12.147 1.00 . A A . 8 LYS HG2 1 1 3 452 1 1 8 LYS HG3 H 7.770 -4.516 12.574 1.00 . A A . 8 LYS HG3 1 1 3 453 1 1 8 LYS HZ1 H 8.190 -3.365 14.050 1.00 . A A . 8 LYS HZ1 1 1 3 454 1 1 8 LYS HZ2 H 9.760 -3.157 13.435 1.00 . A A . 8 LYS HZ2 1 1 3 455 1 1 8 LYS HZ3 H 9.401 -2.696 15.031 1.00 . A A . 8 LYS HZ3 1 1 3 456 1 1 8 LYS N N 7.172 -6.784 9.378 1.00 . A A . 8 LYS N 1 1 3 457 1 1 8 LYS NZ N 9.202 -3.389 14.284 1.00 . A A . 8 LYS NZ 1 1 3 458 1 1 8 LYS O O 9.002 -4.422 9.510 1.00 . A A . 8 LYS O 1 1 3 459 1 1 9 LYS C C 8.654 -2.269 8.565 1.00 . A A . 9 LYS C 1 1 3 460 1 1 9 LYS CA C 7.448 -2.139 9.489 1.00 . A A . 9 LYS CA 1 1 3 461 1 1 9 LYS CB C 7.807 -1.243 10.675 1.00 . A A . 9 LYS CB 1 1 3 462 1 1 9 LYS CD C 6.447 0.842 10.441 1.00 . A A . 9 LYS CD 1 1 3 463 1 1 9 LYS CE C 6.323 2.114 9.602 1.00 . A A . 9 LYS CE 1 1 3 464 1 1 9 LYS CG C 7.828 0.218 10.224 1.00 . A A . 9 LYS CG 1 1 3 465 1 1 9 LYS H H 6.116 -3.565 10.315 1.00 . A A . 9 LYS H 1 1 3 466 1 1 9 LYS HA H 6.635 -1.685 8.942 1.00 . A A . 9 LYS HA 1 1 3 467 1 1 9 LYS HB2 H 7.070 -1.368 11.456 1.00 . A A . 9 LYS HB2 1 1 3 468 1 1 9 LYS HB3 H 8.781 -1.516 11.051 1.00 . A A . 9 LYS HB3 1 1 3 469 1 1 9 LYS HD2 H 5.684 0.137 10.143 1.00 . A A . 9 LYS HD2 1 1 3 470 1 1 9 LYS HD3 H 6.324 1.087 11.485 1.00 . A A . 9 LYS HD3 1 1 3 471 1 1 9 LYS HE2 H 6.375 1.861 8.553 1.00 . A A . 9 LYS HE2 1 1 3 472 1 1 9 LYS HE3 H 5.377 2.592 9.811 1.00 . A A . 9 LYS HE3 1 1 3 473 1 1 9 LYS HG2 H 8.563 0.762 10.799 1.00 . A A . 9 LYS HG2 1 1 3 474 1 1 9 LYS HG3 H 8.082 0.268 9.175 1.00 . A A . 9 LYS HG3 1 1 3 475 1 1 9 LYS HZ1 H 8.040 3.186 9.109 1.00 . A A . 9 LYS HZ1 1 1 3 476 1 1 9 LYS HZ2 H 8.002 2.639 10.717 1.00 . A A . 9 LYS HZ2 1 1 3 477 1 1 9 LYS HZ3 H 7.044 3.960 10.242 1.00 . A A . 9 LYS HZ3 1 1 3 478 1 1 9 LYS N N 7.024 -3.451 9.965 1.00 . A A . 9 LYS N 1 1 3 479 1 1 9 LYS NZ N 7.436 3.045 9.944 1.00 . A A . 9 LYS NZ 1 1 3 480 1 1 9 LYS O O 9.779 -1.947 8.944 1.00 . A A . 9 LYS O 1 1 3 481 1 1 10 PRO C C 9.950 -1.588 5.744 1.00 . A A . 10 PRO C 1 1 3 482 1 1 10 PRO CA C 9.511 -2.915 6.355 1.00 . A A . 10 PRO CA 1 1 3 483 1 1 10 PRO CB C 8.887 -3.827 5.287 1.00 . A A . 10 PRO CB 1 1 3 484 1 1 10 PRO CD C 7.132 -3.140 6.839 1.00 . A A . 10 PRO CD 1 1 3 485 1 1 10 PRO CG C 7.487 -4.131 5.733 1.00 . A A . 10 PRO CG 1 1 3 486 1 1 10 PRO HA H 10.357 -3.414 6.802 1.00 . A A . 10 PRO HA 1 1 3 487 1 1 10 PRO HB2 H 8.871 -3.320 4.334 1.00 . A A . 10 PRO HB2 1 1 3 488 1 1 10 PRO HB3 H 9.453 -4.744 5.209 1.00 . A A . 10 PRO HB3 1 1 3 489 1 1 10 PRO HD2 H 6.601 -2.291 6.431 1.00 . A A . 10 PRO HD2 1 1 3 490 1 1 10 PRO HD3 H 6.550 -3.622 7.610 1.00 . A A . 10 PRO HD3 1 1 3 491 1 1 10 PRO HG2 H 6.806 -4.017 4.901 1.00 . A A . 10 PRO HG2 1 1 3 492 1 1 10 PRO HG3 H 7.433 -5.137 6.118 1.00 . A A . 10 PRO HG3 1 1 3 493 1 1 10 PRO N N 8.435 -2.734 7.365 1.00 . A A . 10 PRO N 1 1 3 494 1 1 10 PRO O O 10.548 -1.565 4.668 1.00 . A A . 10 PRO O 1 1 3 495 1 1 11 NH2 HN1 H 10.418 0.113 6.657 1.00 . A A . 11 NH2 HN1 1 1 3 496 1 1 11 NH2 HN2 H 8.757 -0.218 6.546 1.00 . A A . 11 NH2 HN2 1 1 3 497 1 1 11 NH2 N N 9.687 -0.472 6.369 1.00 . A A . 11 NH2 N 1 1 3 498 2 2 1 A2G C1 C 1.908 -16.849 9.217 1.00 . B A . 101 A2G C1 1 1 3 499 2 2 1 A2G C2 C 2.017 -17.161 10.711 1.00 . B A . 101 A2G C2 1 1 3 500 2 2 1 A2G C3 C 0.891 -18.117 11.107 1.00 . B A . 101 A2G C3 1 1 3 501 2 2 1 A2G C4 C -0.456 -17.522 10.688 1.00 . B A . 101 A2G C4 1 1 3 502 2 2 1 A2G C5 C -0.415 -17.167 9.200 1.00 . B A . 101 A2G C5 1 1 3 503 2 2 1 A2G C6 C -1.727 -16.491 8.796 1.00 . B A . 101 A2G C6 1 1 3 504 2 2 1 A2G C7 C 4.163 -17.181 11.845 1.00 . B A . 101 A2G C7 1 1 3 505 2 2 1 A2G C8 C 5.466 -17.929 12.106 1.00 . B A . 101 A2G C8 1 1 3 506 2 2 1 A2G H1 H 2.687 -16.155 8.940 1.00 . B A . 101 A2G H1 1 1 3 507 2 2 1 A2G H14 H -2.042 -16.865 7.833 1.00 . B A . 101 A2G H14 1 1 3 508 2 2 1 A2G H15 H -3.583 -16.666 9.346 1.00 . B A . 101 A2G H15 1 1 3 509 2 2 1 A2G H2 H 1.915 -16.243 11.271 1.00 . B A . 101 A2G H2 1 1 3 510 2 2 1 A2G H3 H 1.033 -19.067 10.613 1.00 . B A . 101 A2G H3 1 1 3 511 2 2 1 A2G H4 H -1.239 -18.244 10.864 1.00 . B A . 101 A2G H4 1 1 3 512 2 2 1 A2G H5 H -0.272 -18.064 8.615 1.00 . B A . 101 A2G H5 1 1 3 513 2 2 1 A2G H6 H -1.577 -15.423 8.735 1.00 . B A . 101 A2G H6 1 1 3 514 2 2 1 A2G H8 H 5.340 -18.584 12.957 1.00 . B A . 101 A2G H8 1 1 3 515 2 2 1 A2G H8A H 6.254 -17.219 12.312 1.00 . B A . 101 A2G H8A 1 1 3 516 2 2 1 A2G H8B H 5.726 -18.514 11.236 1.00 . B A . 101 A2G H8B 1 1 3 517 2 2 1 A2G HN2 H 3.559 -18.607 10.577 1.00 . B A . 101 A2G HN2 1 1 3 518 2 2 1 A2G HO3 H 0.051 -18.039 12.859 1.00 . B A . 101 A2G HO3 1 1 3 519 2 2 1 A2G HO4 H -0.742 -16.598 12.375 1.00 . B A . 101 A2G HO4 1 1 3 520 2 2 1 A2G N2 N 3.312 -17.761 11.005 1.00 . B A . 101 A2G N2 1 1 3 521 2 2 1 A2G O O 0.646 -16.266 8.978 1.00 . B A . 101 A2G O 1 1 3 522 2 2 1 A2G O3 O 0.905 -18.309 12.514 1.00 . B A . 101 A2G O3 1 1 3 523 2 2 1 A2G O4 O -0.712 -16.350 11.447 1.00 . B A . 101 A2G O4 1 1 3 524 2 2 1 A2G O6 O -2.726 -16.776 9.764 1.00 . B A . 101 A2G O6 1 1 3 525 2 2 1 A2G O7 O 3.920 -16.119 12.419 1.00 . B A . 101 A2G O7 1 1 4 526 1 1 1 ACE C C -1.353 -24.375 7.402 1.00 . A A . 1 ACE C 1 1 4 527 1 1 1 ACE CH3 C -2.875 -24.429 7.484 1.00 . A A . 1 ACE CH3 1 1 4 528 1 1 1 ACE H1 H -3.291 -23.524 7.066 1.00 . A A . 1 ACE H1 1 1 4 529 1 1 1 ACE H2 H -3.177 -24.520 8.516 1.00 . A A . 1 ACE H2 1 1 4 530 1 1 1 ACE H3 H -3.235 -25.281 6.926 1.00 . A A . 1 ACE H3 1 1 4 531 1 1 1 ACE O O -0.673 -24.184 8.409 1.00 . A A . 1 ACE O 1 1 4 532 1 1 2 PRO C C 1.327 -23.359 6.727 1.00 . A A . 2 PRO C 1 1 4 533 1 1 2 PRO CA C 0.652 -24.514 5.991 1.00 . A A . 2 PRO CA 1 1 4 534 1 1 2 PRO CB C 0.796 -24.349 4.470 1.00 . A A . 2 PRO CB 1 1 4 535 1 1 2 PRO CD C -1.553 -24.771 4.983 1.00 . A A . 2 PRO CD 1 1 4 536 1 1 2 PRO CG C -0.591 -24.285 3.901 1.00 . A A . 2 PRO CG 1 1 4 537 1 1 2 PRO HA H 1.091 -25.451 6.293 1.00 . A A . 2 PRO HA 1 1 4 538 1 1 2 PRO HB2 H 1.331 -23.436 4.247 1.00 . A A . 2 PRO HB2 1 1 4 539 1 1 2 PRO HB3 H 1.322 -25.196 4.055 1.00 . A A . 2 PRO HB3 1 1 4 540 1 1 2 PRO HD2 H -2.467 -24.192 4.965 1.00 . A A . 2 PRO HD2 1 1 4 541 1 1 2 PRO HD3 H -1.763 -25.822 4.862 1.00 . A A . 2 PRO HD3 1 1 4 542 1 1 2 PRO HG2 H -0.827 -23.266 3.626 1.00 . A A . 2 PRO HG2 1 1 4 543 1 1 2 PRO HG3 H -0.665 -24.927 3.037 1.00 . A A . 2 PRO HG3 1 1 4 544 1 1 2 PRO N N -0.817 -24.540 6.224 1.00 . A A . 2 PRO N 1 1 4 545 1 1 2 PRO O O 0.669 -22.409 7.152 1.00 . A A . 2 PRO O 1 1 4 546 1 1 3 PRO C C 3.003 -20.977 7.154 1.00 . A A . 3 PRO C 1 1 4 547 1 1 3 PRO CA C 3.413 -22.384 7.581 1.00 . A A . 3 PRO CA 1 1 4 548 1 1 3 PRO CB C 4.869 -22.673 7.181 1.00 . A A . 3 PRO CB 1 1 4 549 1 1 3 PRO CD C 3.472 -24.519 6.406 1.00 . A A . 3 PRO CD 1 1 4 550 1 1 3 PRO CG C 4.845 -23.866 6.271 1.00 . A A . 3 PRO CG 1 1 4 551 1 1 3 PRO HA H 3.307 -22.491 8.648 1.00 . A A . 3 PRO HA 1 1 4 552 1 1 3 PRO HB2 H 5.285 -21.820 6.663 1.00 . A A . 3 PRO HB2 1 1 4 553 1 1 3 PRO HB3 H 5.455 -22.895 8.059 1.00 . A A . 3 PRO HB3 1 1 4 554 1 1 3 PRO HD2 H 3.129 -24.884 5.446 1.00 . A A . 3 PRO HD2 1 1 4 555 1 1 3 PRO HD3 H 3.499 -25.318 7.130 1.00 . A A . 3 PRO HD3 1 1 4 556 1 1 3 PRO HG2 H 5.006 -23.550 5.248 1.00 . A A . 3 PRO HG2 1 1 4 557 1 1 3 PRO HG3 H 5.610 -24.568 6.564 1.00 . A A . 3 PRO HG3 1 1 4 558 1 1 3 PRO N N 2.621 -23.432 6.882 1.00 . A A . 3 PRO N 1 1 4 559 1 1 3 PRO O O 2.349 -20.794 6.127 1.00 . A A . 3 PRO O 1 1 4 560 1 1 4 THR C C 4.201 -17.672 8.047 1.00 . A A . 4 THR C 1 1 4 561 1 1 4 THR CA C 3.058 -18.599 7.645 1.00 . A A . 4 THR CA 1 1 4 562 1 1 4 THR CB C 1.783 -18.193 8.387 1.00 . A A . 4 THR CB 1 1 4 563 1 1 4 THR CG2 C 0.658 -19.176 8.061 1.00 . A A . 4 THR CG2 1 1 4 564 1 1 4 THR H H 3.912 -20.190 8.755 1.00 . A A . 4 THR H 1 1 4 565 1 1 4 THR HA H 2.888 -18.505 6.583 1.00 . A A . 4 THR HA 1 1 4 566 1 1 4 THR HB H 1.489 -17.198 8.090 1.00 . A A . 4 THR HB 1 1 4 567 1 1 4 THR HG21 H -0.295 -18.718 8.283 1.00 . A A . 4 THR HG21 1 1 4 568 1 1 4 THR HG22 H 0.776 -20.069 8.658 1.00 . A A . 4 THR HG22 1 1 4 569 1 1 4 THR HG23 H 0.698 -19.436 7.014 1.00 . A A . 4 THR HG23 1 1 4 570 1 1 4 THR N N 3.392 -19.986 7.949 1.00 . A A . 4 THR N 1 1 4 571 1 1 4 THR O O 4.817 -17.850 9.098 1.00 . A A . 4 THR O 1 1 4 572 1 1 4 THR OG1 O 2.038 -18.234 9.774 1.00 . A A . 4 THR OG1 1 1 4 573 1 1 5 THR C C 4.975 -14.388 7.916 1.00 . A A . 5 THR C 1 1 4 574 1 1 5 THR CA C 5.550 -15.733 7.482 1.00 . A A . 5 THR CA 1 1 4 575 1 1 5 THR CB C 6.415 -15.542 6.235 1.00 . A A . 5 THR CB 1 1 4 576 1 1 5 THR CG2 C 6.895 -16.902 5.724 1.00 . A A . 5 THR CG2 1 1 4 577 1 1 5 THR H H 3.954 -16.589 6.382 1.00 . A A . 5 THR H 1 1 4 578 1 1 5 THR HA H 6.166 -16.123 8.279 1.00 . A A . 5 THR HA 1 1 4 579 1 1 5 THR HB H 7.269 -14.926 6.475 1.00 . A A . 5 THR HB 1 1 4 580 1 1 5 THR HG21 H 6.933 -17.602 6.545 1.00 . A A . 5 THR HG21 1 1 4 581 1 1 5 THR HG22 H 7.880 -16.797 5.294 1.00 . A A . 5 THR HG22 1 1 4 582 1 1 5 THR HG23 H 6.210 -17.265 4.972 1.00 . A A . 5 THR HG23 1 1 4 583 1 1 5 THR N N 4.478 -16.682 7.205 1.00 . A A . 5 THR N 1 1 4 584 1 1 5 THR O O 3.778 -14.140 7.775 1.00 . A A . 5 THR O 1 1 4 585 1 1 5 THR OG1 O 5.634 -14.929 5.235 1.00 . A A . 5 THR OG1 1 1 4 586 1 1 6 THR C C 6.377 -11.133 8.424 1.00 . A A . 6 THR C 1 1 4 587 1 1 6 THR CA C 5.403 -12.207 8.895 1.00 . A A . 6 THR CA 1 1 4 588 1 1 6 THR CB C 5.310 -12.182 10.423 1.00 . A A . 6 THR CB 1 1 4 589 1 1 6 THR CG2 C 4.560 -13.420 10.918 1.00 . A A . 6 THR CG2 1 1 4 590 1 1 6 THR H H 6.778 -13.778 8.533 1.00 . A A . 6 THR H 1 1 4 591 1 1 6 THR HA H 4.426 -12.000 8.484 1.00 . A A . 6 THR HA 1 1 4 592 1 1 6 THR HB H 4.787 -11.293 10.742 1.00 . A A . 6 THR HB 1 1 4 593 1 1 6 THR HG21 H 5.248 -14.249 10.997 1.00 . A A . 6 THR HG21 1 1 4 594 1 1 6 THR HG22 H 3.776 -13.669 10.219 1.00 . A A . 6 THR HG22 1 1 4 595 1 1 6 THR HG23 H 4.129 -13.216 11.887 1.00 . A A . 6 THR HG23 1 1 4 596 1 1 6 THR N N 5.836 -13.525 8.444 1.00 . A A . 6 THR N 1 1 4 597 1 1 6 THR O O 7.496 -11.434 8.010 1.00 . A A . 6 THR O 1 1 4 598 1 1 6 THR OG1 O 6.617 -12.198 10.954 1.00 . A A . 6 THR OG1 1 1 4 599 1 1 7 THR C C 6.652 -7.594 9.035 1.00 . A A . 7 THR C 1 1 4 600 1 1 7 THR CA C 6.787 -8.766 8.069 1.00 . A A . 7 THR CA 1 1 4 601 1 1 7 THR CB C 6.393 -8.317 6.660 1.00 . A A . 7 THR CB 1 1 4 602 1 1 7 THR CG2 C 6.382 -9.520 5.716 1.00 . A A . 7 THR CG2 1 1 4 603 1 1 7 THR H H 5.043 -9.697 8.831 1.00 . A A . 7 THR H 1 1 4 604 1 1 7 THR HA H 7.817 -9.091 8.055 1.00 . A A . 7 THR HA 1 1 4 605 1 1 7 THR HB H 7.098 -7.583 6.300 1.00 . A A . 7 THR HB 1 1 4 606 1 1 7 THR HG21 H 6.532 -9.183 4.702 1.00 . A A . 7 THR HG21 1 1 4 607 1 1 7 THR HG22 H 5.433 -10.028 5.791 1.00 . A A . 7 THR HG22 1 1 4 608 1 1 7 THR HG23 H 7.176 -10.199 5.990 1.00 . A A . 7 THR HG23 1 1 4 609 1 1 7 THR N N 5.944 -9.878 8.492 1.00 . A A . 7 THR N 1 1 4 610 1 1 7 THR O O 5.782 -7.593 9.907 1.00 . A A . 7 THR O 1 1 4 611 1 1 7 THR OG1 O 5.095 -7.765 6.709 1.00 . A A . 7 THR OG1 1 1 4 612 1 1 8 LYS C C 8.186 -4.245 9.070 1.00 . A A . 8 LYS C 1 1 4 613 1 1 8 LYS CA C 7.483 -5.423 9.738 1.00 . A A . 8 LYS CA 1 1 4 614 1 1 8 LYS CB C 8.164 -5.736 11.072 1.00 . A A . 8 LYS CB 1 1 4 615 1 1 8 LYS CD C 8.590 -4.906 13.390 1.00 . A A . 8 LYS CD 1 1 4 616 1 1 8 LYS CE C 7.668 -4.572 14.563 1.00 . A A . 8 LYS CE 1 1 4 617 1 1 8 LYS CG C 7.868 -4.618 12.072 1.00 . A A . 8 LYS CG 1 1 4 618 1 1 8 LYS H H 8.187 -6.652 8.162 1.00 . A A . 8 LYS H 1 1 4 619 1 1 8 LYS HA H 6.454 -5.155 9.927 1.00 . A A . 8 LYS HA 1 1 4 620 1 1 8 LYS HB2 H 7.789 -6.674 11.456 1.00 . A A . 8 LYS HB2 1 1 4 621 1 1 8 LYS HB3 H 9.232 -5.809 10.923 1.00 . A A . 8 LYS HB3 1 1 4 622 1 1 8 LYS HD2 H 8.863 -5.951 13.430 1.00 . A A . 8 LYS HD2 1 1 4 623 1 1 8 LYS HD3 H 9.481 -4.300 13.452 1.00 . A A . 8 LYS HD3 1 1 4 624 1 1 8 LYS HE2 H 6.827 -5.250 14.564 1.00 . A A . 8 LYS HE2 1 1 4 625 1 1 8 LYS HE3 H 8.212 -4.673 15.490 1.00 . A A . 8 LYS HE3 1 1 4 626 1 1 8 LYS HG2 H 8.211 -3.676 11.672 1.00 . A A . 8 LYS HG2 1 1 4 627 1 1 8 LYS HG3 H 6.804 -4.568 12.252 1.00 . A A . 8 LYS HG3 1 1 4 628 1 1 8 LYS HZ1 H 6.470 -3.125 13.665 1.00 . A A . 8 LYS HZ1 1 1 4 629 1 1 8 LYS HZ2 H 7.976 -2.545 14.198 1.00 . A A . 8 LYS HZ2 1 1 4 630 1 1 8 LYS HZ3 H 6.742 -2.867 15.319 1.00 . A A . 8 LYS HZ3 1 1 4 631 1 1 8 LYS N N 7.517 -6.597 8.874 1.00 . A A . 8 LYS N 1 1 4 632 1 1 8 LYS NZ N 7.176 -3.172 14.426 1.00 . A A . 8 LYS NZ 1 1 4 633 1 1 8 LYS O O 9.368 -4.325 8.735 1.00 . A A . 8 LYS O 1 1 4 634 1 1 9 LYS C C 9.142 -1.392 9.102 1.00 . A A . 9 LYS C 1 1 4 635 1 1 9 LYS CA C 8.016 -1.967 8.250 1.00 . A A . 9 LYS CA 1 1 4 636 1 1 9 LYS CB C 6.926 -0.909 8.060 1.00 . A A . 9 LYS CB 1 1 4 637 1 1 9 LYS CD C 4.704 -0.128 8.894 1.00 . A A . 9 LYS CD 1 1 4 638 1 1 9 LYS CE C 3.383 -0.584 9.518 1.00 . A A . 9 LYS CE 1 1 4 639 1 1 9 LYS CG C 5.689 -1.299 8.871 1.00 . A A . 9 LYS CG 1 1 4 640 1 1 9 LYS H H 6.514 -3.149 9.167 1.00 . A A . 9 LYS H 1 1 4 641 1 1 9 LYS HA H 8.411 -2.236 7.282 1.00 . A A . 9 LYS HA 1 1 4 642 1 1 9 LYS HB2 H 7.292 0.050 8.398 1.00 . A A . 9 LYS HB2 1 1 4 643 1 1 9 LYS HB3 H 6.663 -0.845 7.015 1.00 . A A . 9 LYS HB3 1 1 4 644 1 1 9 LYS HD2 H 5.119 0.680 9.479 1.00 . A A . 9 LYS HD2 1 1 4 645 1 1 9 LYS HD3 H 4.524 0.211 7.886 1.00 . A A . 9 LYS HD3 1 1 4 646 1 1 9 LYS HE2 H 2.835 -1.181 8.804 1.00 . A A . 9 LYS HE2 1 1 4 647 1 1 9 LYS HE3 H 3.587 -1.175 10.399 1.00 . A A . 9 LYS HE3 1 1 4 648 1 1 9 LYS HG2 H 5.218 -2.159 8.418 1.00 . A A . 9 LYS HG2 1 1 4 649 1 1 9 LYS HG3 H 5.982 -1.540 9.882 1.00 . A A . 9 LYS HG3 1 1 4 650 1 1 9 LYS HZ1 H 3.182 1.304 10.372 1.00 . A A . 9 LYS HZ1 1 1 4 651 1 1 9 LYS HZ2 H 1.807 0.318 10.537 1.00 . A A . 9 LYS HZ2 1 1 4 652 1 1 9 LYS HZ3 H 2.166 1.036 9.039 1.00 . A A . 9 LYS HZ3 1 1 4 653 1 1 9 LYS N N 7.451 -3.155 8.879 1.00 . A A . 9 LYS N 1 1 4 654 1 1 9 LYS NZ N 2.573 0.608 9.895 1.00 . A A . 9 LYS NZ 1 1 4 655 1 1 9 LYS O O 9.228 -1.659 10.301 1.00 . A A . 9 LYS O 1 1 4 656 1 1 10 PRO C C 10.747 0.606 10.553 1.00 . A A . 10 PRO C 1 1 4 657 1 1 10 PRO CA C 11.151 0.018 9.204 1.00 . A A . 10 PRO CA 1 1 4 658 1 1 10 PRO CB C 11.626 1.122 8.248 1.00 . A A . 10 PRO CB 1 1 4 659 1 1 10 PRO CD C 9.966 -0.244 7.089 1.00 . A A . 10 PRO CD 1 1 4 660 1 1 10 PRO CG C 10.727 1.080 7.047 1.00 . A A . 10 PRO CG 1 1 4 661 1 1 10 PRO HA H 11.941 -0.704 9.338 1.00 . A A . 10 PRO HA 1 1 4 662 1 1 10 PRO HB2 H 11.553 2.086 8.732 1.00 . A A . 10 PRO HB2 1 1 4 663 1 1 10 PRO HB3 H 12.646 0.936 7.946 1.00 . A A . 10 PRO HB3 1 1 4 664 1 1 10 PRO HD2 H 8.948 -0.106 6.752 1.00 . A A . 10 PRO HD2 1 1 4 665 1 1 10 PRO HD3 H 10.468 -0.991 6.496 1.00 . A A . 10 PRO HD3 1 1 4 666 1 1 10 PRO HG2 H 10.033 1.908 7.080 1.00 . A A . 10 PRO HG2 1 1 4 667 1 1 10 PRO HG3 H 11.316 1.129 6.144 1.00 . A A . 10 PRO HG3 1 1 4 668 1 1 10 PRO N N 10.000 -0.612 8.503 1.00 . A A . 10 PRO N 1 1 4 669 1 1 10 PRO O O 11.532 0.587 11.500 1.00 . A A . 10 PRO O 1 1 4 670 1 1 11 NH2 HN1 H 9.017 0.908 11.481 1.00 . A A . 11 NH2 HN1 1 1 4 671 1 1 11 NH2 HN2 H 9.217 1.757 10.025 1.00 . A A . 11 NH2 HN2 1 1 4 672 1 1 11 NH2 N N 9.560 1.131 10.696 1.00 . A A . 11 NH2 N 1 1 4 673 2 2 1 A2G C1 C 1.988 -16.958 10.371 1.00 . B A . 101 A2G C1 1 1 4 674 2 2 1 A2G C2 C 2.545 -17.071 11.791 1.00 . B A . 101 A2G C2 1 1 4 675 2 2 1 A2G C3 C 1.667 -18.029 12.600 1.00 . B A . 101 A2G C3 1 1 4 676 2 2 1 A2G C4 C 0.207 -17.572 12.528 1.00 . B A . 101 A2G C4 1 1 4 677 2 2 1 A2G C5 C -0.209 -17.391 11.066 1.00 . B A . 101 A2G C5 1 1 4 678 2 2 1 A2G C6 C -1.631 -16.829 11.001 1.00 . B A . 101 A2G C6 1 1 4 679 2 2 1 A2G C7 C 4.918 -16.836 12.246 1.00 . B A . 101 A2G C7 1 1 4 680 2 2 1 A2G C8 C 6.315 -17.431 12.101 1.00 . B A . 101 A2G C8 1 1 4 681 2 2 1 A2G H1 H 2.596 -16.267 9.805 1.00 . B A . 101 A2G H1 1 1 4 682 2 2 1 A2G H14 H -1.985 -16.863 9.981 1.00 . B A . 101 A2G H14 1 1 4 683 2 2 1 A2G H15 H -2.093 -17.651 12.701 1.00 . B A . 101 A2G H15 1 1 4 684 2 2 1 A2G H2 H 2.528 -16.097 12.257 1.00 . B A . 101 A2G H2 1 1 4 685 2 2 1 A2G H3 H 1.754 -19.026 12.195 1.00 . B A . 101 A2G H3 1 1 4 686 2 2 1 A2G H4 H -0.425 -18.314 12.992 1.00 . B A . 101 A2G H4 1 1 4 687 2 2 1 A2G H5 H -0.170 -18.341 10.555 1.00 . B A . 101 A2G H5 1 1 4 688 2 2 1 A2G H6 H -1.630 -15.806 11.347 1.00 . B A . 101 A2G H6 1 1 4 689 2 2 1 A2G H8 H 6.468 -18.180 12.864 1.00 . B A . 101 A2G H8 1 1 4 690 2 2 1 A2G H8A H 7.052 -16.649 12.210 1.00 . B A . 101 A2G H8A 1 1 4 691 2 2 1 A2G H8B H 6.413 -17.885 11.126 1.00 . B A . 101 A2G H8B 1 1 4 692 2 2 1 A2G HN2 H 4.107 -18.436 11.360 1.00 . B A . 101 A2G HN2 1 1 4 693 2 2 1 A2G HO3 H 1.426 -18.479 14.476 1.00 . B A . 101 A2G HO3 1 1 4 694 2 2 1 A2G HO4 H 0.396 -16.455 14.109 1.00 . B A . 101 A2G HO4 1 1 4 695 2 2 1 A2G N2 N 3.918 -17.559 11.754 1.00 . B A . 101 A2G N2 1 1 4 696 2 2 1 A2G O O 0.668 -16.471 10.454 1.00 . B A . 101 A2G O 1 1 4 697 2 2 1 A2G O3 O 2.095 -18.031 13.954 1.00 . B A . 101 A2G O3 1 1 4 698 2 2 1 A2G O4 O 0.065 -16.336 13.215 1.00 . B A . 101 A2G O4 1 1 4 699 2 2 1 A2G O6 O -2.486 -17.607 11.826 1.00 . B A . 101 A2G O6 1 1 4 700 2 2 1 A2G O7 O 4.756 -15.727 12.756 1.00 . B A . 101 A2G O7 1 1 5 701 1 1 1 ACE C C -1.479 -21.981 8.425 1.00 . A A . 1 ACE C 1 1 5 702 1 1 1 ACE CH3 C -2.948 -21.574 8.363 1.00 . A A . 1 ACE CH3 1 1 5 703 1 1 1 ACE H1 H -3.287 -21.297 9.350 1.00 . A A . 1 ACE H1 1 1 5 704 1 1 1 ACE H2 H -3.536 -22.404 7.999 1.00 . A A . 1 ACE H2 1 1 5 705 1 1 1 ACE H3 H -3.061 -20.733 7.695 1.00 . A A . 1 ACE H3 1 1 5 706 1 1 1 ACE O O -0.797 -21.736 9.419 1.00 . A A . 1 ACE O 1 1 5 707 1 1 2 PRO C C 1.397 -21.988 7.798 1.00 . A A . 2 PRO C 1 1 5 708 1 1 2 PRO CA C 0.423 -23.052 7.299 1.00 . A A . 2 PRO CA 1 1 5 709 1 1 2 PRO CB C 0.646 -23.338 5.806 1.00 . A A . 2 PRO CB 1 1 5 710 1 1 2 PRO CD C -1.733 -22.921 6.166 1.00 . A A . 2 PRO CD 1 1 5 711 1 1 2 PRO CG C -0.642 -23.031 5.102 1.00 . A A . 2 PRO CG 1 1 5 712 1 1 2 PRO HA H 0.550 -23.962 7.861 1.00 . A A . 2 PRO HA 1 1 5 713 1 1 2 PRO HB2 H 1.438 -22.708 5.425 1.00 . A A . 2 PRO HB2 1 1 5 714 1 1 2 PRO HB3 H 0.901 -24.378 5.664 1.00 . A A . 2 PRO HB3 1 1 5 715 1 1 2 PRO HD2 H -2.427 -22.131 5.916 1.00 . A A . 2 PRO HD2 1 1 5 716 1 1 2 PRO HD3 H -2.248 -23.862 6.283 1.00 . A A . 2 PRO HD3 1 1 5 717 1 1 2 PRO HG2 H -0.553 -22.096 4.565 1.00 . A A . 2 PRO HG2 1 1 5 718 1 1 2 PRO HG3 H -0.886 -23.828 4.416 1.00 . A A . 2 PRO HG3 1 1 5 719 1 1 2 PRO N N -0.990 -22.595 7.382 1.00 . A A . 2 PRO N 1 1 5 720 1 1 2 PRO O O 1.048 -20.813 7.912 1.00 . A A . 2 PRO O 1 1 5 721 1 1 3 PRO C C 3.705 -20.159 7.802 1.00 . A A . 3 PRO C 1 1 5 722 1 1 3 PRO CA C 3.660 -21.462 8.596 1.00 . A A . 3 PRO CA 1 1 5 723 1 1 3 PRO CB C 4.969 -22.249 8.428 1.00 . A A . 3 PRO CB 1 1 5 724 1 1 3 PRO CD C 3.098 -23.755 7.986 1.00 . A A . 3 PRO CD 1 1 5 725 1 1 3 PRO CG C 4.607 -23.580 7.836 1.00 . A A . 3 PRO CG 1 1 5 726 1 1 3 PRO HA H 3.501 -21.252 9.642 1.00 . A A . 3 PRO HA 1 1 5 727 1 1 3 PRO HB2 H 5.636 -21.717 7.764 1.00 . A A . 3 PRO HB2 1 1 5 728 1 1 3 PRO HB3 H 5.440 -22.392 9.388 1.00 . A A . 3 PRO HB3 1 1 5 729 1 1 3 PRO HD2 H 2.685 -24.243 7.113 1.00 . A A . 3 PRO HD2 1 1 5 730 1 1 3 PRO HD3 H 2.865 -24.309 8.881 1.00 . A A . 3 PRO HD3 1 1 5 731 1 1 3 PRO HG2 H 4.882 -23.603 6.790 1.00 . A A . 3 PRO HG2 1 1 5 732 1 1 3 PRO HG3 H 5.117 -24.370 8.368 1.00 . A A . 3 PRO HG3 1 1 5 733 1 1 3 PRO N N 2.605 -22.383 8.095 1.00 . A A . 3 PRO N 1 1 5 734 1 1 3 PRO O O 4.187 -20.129 6.669 1.00 . A A . 3 PRO O 1 1 5 735 1 1 4 THR C C 4.408 -16.967 8.153 1.00 . A A . 4 THR C 1 1 5 736 1 1 4 THR CA C 3.190 -17.787 7.742 1.00 . A A . 4 THR CA 1 1 5 737 1 1 4 THR CB C 1.912 -17.027 8.108 1.00 . A A . 4 THR CB 1 1 5 738 1 1 4 THR CG2 C 0.687 -17.825 7.658 1.00 . A A . 4 THR CG2 1 1 5 739 1 1 4 THR H H 2.831 -19.171 9.307 1.00 . A A . 4 THR H 1 1 5 740 1 1 4 THR HA H 3.213 -17.937 6.674 1.00 . A A . 4 THR HA 1 1 5 741 1 1 4 THR HB H 1.911 -16.063 7.624 1.00 . A A . 4 THR HB 1 1 5 742 1 1 4 THR HG21 H 0.362 -18.468 8.462 1.00 . A A . 4 THR HG21 1 1 5 743 1 1 4 THR HG22 H 0.945 -18.424 6.797 1.00 . A A . 4 THR HG22 1 1 5 744 1 1 4 THR HG23 H -0.110 -17.144 7.397 1.00 . A A . 4 THR HG23 1 1 5 745 1 1 4 THR N N 3.201 -19.086 8.403 1.00 . A A . 4 THR N 1 1 5 746 1 1 4 THR O O 5.117 -17.319 9.096 1.00 . A A . 4 THR O 1 1 5 747 1 1 4 THR OG1 O 1.865 -16.871 9.509 1.00 . A A . 4 THR OG1 1 1 5 748 1 1 5 THR C C 5.354 -13.542 7.744 1.00 . A A . 5 THR C 1 1 5 749 1 1 5 THR CA C 5.781 -15.007 7.740 1.00 . A A . 5 THR CA 1 1 5 750 1 1 5 THR CB C 6.884 -15.215 6.699 1.00 . A A . 5 THR CB 1 1 5 751 1 1 5 THR CG2 C 7.333 -16.677 6.704 1.00 . A A . 5 THR CG2 1 1 5 752 1 1 5 THR H H 4.045 -15.638 6.701 1.00 . A A . 5 THR H 1 1 5 753 1 1 5 THR HA H 6.169 -15.262 8.714 1.00 . A A . 5 THR HA 1 1 5 754 1 1 5 THR HB H 7.725 -14.580 6.927 1.00 . A A . 5 THR HB 1 1 5 755 1 1 5 THR HG21 H 7.011 -17.149 7.621 1.00 . A A . 5 THR HG21 1 1 5 756 1 1 5 THR HG22 H 8.410 -16.724 6.635 1.00 . A A . 5 THR HG22 1 1 5 757 1 1 5 THR HG23 H 6.894 -17.192 5.862 1.00 . A A . 5 THR HG23 1 1 5 758 1 1 5 THR N N 4.644 -15.870 7.440 1.00 . A A . 5 THR N 1 1 5 759 1 1 5 THR O O 4.538 -13.121 6.926 1.00 . A A . 5 THR O 1 1 5 760 1 1 5 THR OG1 O 6.365 -14.903 5.424 1.00 . A A . 5 THR OG1 1 1 5 761 1 1 6 THR C C 6.711 -10.500 8.211 1.00 . A A . 6 THR C 1 1 5 762 1 1 6 THR CA C 5.582 -11.355 8.775 1.00 . A A . 6 THR CA 1 1 5 763 1 1 6 THR CB C 5.338 -10.980 10.239 1.00 . A A . 6 THR CB 1 1 5 764 1 1 6 THR CG2 C 4.204 -11.833 10.811 1.00 . A A . 6 THR CG2 1 1 5 765 1 1 6 THR H H 6.557 -13.163 9.300 1.00 . A A . 6 THR H 1 1 5 766 1 1 6 THR HA H 4.682 -11.164 8.211 1.00 . A A . 6 THR HA 1 1 5 767 1 1 6 THR HB H 5.073 -9.937 10.309 1.00 . A A . 6 THR HB 1 1 5 768 1 1 6 THR HG21 H 3.625 -11.243 11.506 1.00 . A A . 6 THR HG21 1 1 5 769 1 1 6 THR HG22 H 4.619 -12.689 11.322 1.00 . A A . 6 THR HG22 1 1 5 770 1 1 6 THR HG23 H 3.565 -12.169 10.006 1.00 . A A . 6 THR HG23 1 1 5 771 1 1 6 THR N N 5.912 -12.773 8.673 1.00 . A A . 6 THR N 1 1 5 772 1 1 6 THR O O 7.877 -10.684 8.561 1.00 . A A . 6 THR O 1 1 5 773 1 1 6 THR OG1 O 6.515 -11.238 10.973 1.00 . A A . 6 THR OG1 1 1 5 774 1 1 7 THR C C 7.353 -7.323 7.415 1.00 . A A . 7 THR C 1 1 5 775 1 1 7 THR CA C 7.351 -8.685 6.729 1.00 . A A . 7 THR CA 1 1 5 776 1 1 7 THR CB C 7.049 -8.508 5.239 1.00 . A A . 7 THR CB 1 1 5 777 1 1 7 THR CG2 C 6.959 -9.876 4.561 1.00 . A A . 7 THR CG2 1 1 5 778 1 1 7 THR H H 5.413 -9.461 7.097 1.00 . A A . 7 THR H 1 1 5 779 1 1 7 THR HA H 8.327 -9.134 6.836 1.00 . A A . 7 THR HA 1 1 5 780 1 1 7 THR HB H 7.831 -7.928 4.775 1.00 . A A . 7 THR HB 1 1 5 781 1 1 7 THR HG21 H 7.757 -10.509 4.921 1.00 . A A . 7 THR HG21 1 1 5 782 1 1 7 THR HG22 H 7.049 -9.755 3.492 1.00 . A A . 7 THR HG22 1 1 5 783 1 1 7 THR HG23 H 6.007 -10.330 4.794 1.00 . A A . 7 THR HG23 1 1 5 784 1 1 7 THR N N 6.358 -9.563 7.337 1.00 . A A . 7 THR N 1 1 5 785 1 1 7 THR O O 6.384 -6.570 7.327 1.00 . A A . 7 THR O 1 1 5 786 1 1 7 THR OG1 O 5.808 -7.850 5.106 1.00 . A A . 7 THR OG1 1 1 5 787 1 1 8 LYS C C 7.272 -5.399 9.520 1.00 . A A . 8 LYS C 1 1 5 788 1 1 8 LYS CA C 8.569 -5.736 8.794 1.00 . A A . 8 LYS CA 1 1 5 789 1 1 8 LYS CB C 8.901 -4.627 7.793 1.00 . A A . 8 LYS CB 1 1 5 790 1 1 8 LYS CD C 9.967 -5.081 5.581 1.00 . A A . 8 LYS CD 1 1 5 791 1 1 8 LYS CE C 11.289 -5.377 4.867 1.00 . A A . 8 LYS CE 1 1 5 792 1 1 8 LYS CG C 10.217 -4.953 7.084 1.00 . A A . 8 LYS CG 1 1 5 793 1 1 8 LYS H H 9.192 -7.653 8.137 1.00 . A A . 8 LYS H 1 1 5 794 1 1 8 LYS HA H 9.369 -5.804 9.516 1.00 . A A . 8 LYS HA 1 1 5 795 1 1 8 LYS HB2 H 8.106 -4.551 7.065 1.00 . A A . 8 LYS HB2 1 1 5 796 1 1 8 LYS HB3 H 8.999 -3.688 8.318 1.00 . A A . 8 LYS HB3 1 1 5 797 1 1 8 LYS HD2 H 9.271 -5.886 5.398 1.00 . A A . 8 LYS HD2 1 1 5 798 1 1 8 LYS HD3 H 9.557 -4.157 5.204 1.00 . A A . 8 LYS HD3 1 1 5 799 1 1 8 LYS HE2 H 11.734 -6.265 5.289 1.00 . A A . 8 LYS HE2 1 1 5 800 1 1 8 LYS HE3 H 11.103 -5.532 3.815 1.00 . A A . 8 LYS HE3 1 1 5 801 1 1 8 LYS HG2 H 10.929 -4.162 7.267 1.00 . A A . 8 LYS HG2 1 1 5 802 1 1 8 LYS HG3 H 10.608 -5.886 7.463 1.00 . A A . 8 LYS HG3 1 1 5 803 1 1 8 LYS HZ1 H 11.666 -3.356 5.198 1.00 . A A . 8 LYS HZ1 1 1 5 804 1 1 8 LYS HZ2 H 12.802 -4.117 4.189 1.00 . A A . 8 LYS HZ2 1 1 5 805 1 1 8 LYS HZ3 H 12.830 -4.394 5.865 1.00 . A A . 8 LYS HZ3 1 1 5 806 1 1 8 LYS N N 8.451 -7.013 8.099 1.00 . A A . 8 LYS N 1 1 5 807 1 1 8 LYS NZ N 12.216 -4.225 5.044 1.00 . A A . 8 LYS NZ 1 1 5 808 1 1 8 LYS O O 6.340 -4.857 8.927 1.00 . A A . 8 LYS O 1 1 5 809 1 1 9 LYS C C 5.772 -3.947 11.685 1.00 . A A . 9 LYS C 1 1 5 810 1 1 9 LYS CA C 6.031 -5.448 11.607 1.00 . A A . 9 LYS CA 1 1 5 811 1 1 9 LYS CB C 6.208 -6.011 13.019 1.00 . A A . 9 LYS CB 1 1 5 812 1 1 9 LYS CD C 7.918 -6.558 14.758 1.00 . A A . 9 LYS CD 1 1 5 813 1 1 9 LYS CE C 9.354 -7.032 14.983 1.00 . A A . 9 LYS CE 1 1 5 814 1 1 9 LYS CG C 7.687 -6.316 13.265 1.00 . A A . 9 LYS CG 1 1 5 815 1 1 9 LYS H H 7.994 -6.153 11.229 1.00 . A A . 9 LYS H 1 1 5 816 1 1 9 LYS HA H 5.181 -5.927 11.146 1.00 . A A . 9 LYS HA 1 1 5 817 1 1 9 LYS HB2 H 5.865 -5.285 13.741 1.00 . A A . 9 LYS HB2 1 1 5 818 1 1 9 LYS HB3 H 5.634 -6.919 13.119 1.00 . A A . 9 LYS HB3 1 1 5 819 1 1 9 LYS HD2 H 7.753 -5.638 15.300 1.00 . A A . 9 LYS HD2 1 1 5 820 1 1 9 LYS HD3 H 7.232 -7.313 15.110 1.00 . A A . 9 LYS HD3 1 1 5 821 1 1 9 LYS HE2 H 9.499 -7.259 16.029 1.00 . A A . 9 LYS HE2 1 1 5 822 1 1 9 LYS HE3 H 9.538 -7.918 14.393 1.00 . A A . 9 LYS HE3 1 1 5 823 1 1 9 LYS HG2 H 7.969 -7.199 12.708 1.00 . A A . 9 LYS HG2 1 1 5 824 1 1 9 LYS HG3 H 8.287 -5.480 12.940 1.00 . A A . 9 LYS HG3 1 1 5 825 1 1 9 LYS HZ1 H 9.770 -5.155 14.183 1.00 . A A . 9 LYS HZ1 1 1 5 826 1 1 9 LYS HZ2 H 10.954 -6.328 13.849 1.00 . A A . 9 LYS HZ2 1 1 5 827 1 1 9 LYS HZ3 H 10.846 -5.640 15.399 1.00 . A A . 9 LYS HZ3 1 1 5 828 1 1 9 LYS N N 7.220 -5.722 10.809 1.00 . A A . 9 LYS N 1 1 5 829 1 1 9 LYS NZ N 10.302 -5.958 14.572 1.00 . A A . 9 LYS NZ 1 1 5 830 1 1 9 LYS O O 6.678 -3.138 11.481 1.00 . A A . 9 LYS O 1 1 5 831 1 1 10 PRO C C 5.173 -1.318 12.869 1.00 . A A . 10 PRO C 1 1 5 832 1 1 10 PRO CA C 4.156 -2.141 12.083 1.00 . A A . 10 PRO CA 1 1 5 833 1 1 10 PRO CB C 2.803 -2.176 12.811 1.00 . A A . 10 PRO CB 1 1 5 834 1 1 10 PRO CD C 3.431 -4.464 12.235 1.00 . A A . 10 PRO CD 1 1 5 835 1 1 10 PRO CG C 2.492 -3.616 13.091 1.00 . A A . 10 PRO CG 1 1 5 836 1 1 10 PRO HA H 4.022 -1.719 11.100 1.00 . A A . 10 PRO HA 1 1 5 837 1 1 10 PRO HB2 H 2.869 -1.623 13.738 1.00 . A A . 10 PRO HB2 1 1 5 838 1 1 10 PRO HB3 H 2.034 -1.752 12.183 1.00 . A A . 10 PRO HB3 1 1 5 839 1 1 10 PRO HD2 H 3.755 -5.340 12.782 1.00 . A A . 10 PRO HD2 1 1 5 840 1 1 10 PRO HD3 H 2.955 -4.744 11.310 1.00 . A A . 10 PRO HD3 1 1 5 841 1 1 10 PRO HG2 H 2.653 -3.828 14.139 1.00 . A A . 10 PRO HG2 1 1 5 842 1 1 10 PRO HG3 H 1.468 -3.831 12.824 1.00 . A A . 10 PRO HG3 1 1 5 843 1 1 10 PRO N N 4.557 -3.569 11.976 1.00 . A A . 10 PRO N 1 1 5 844 1 1 10 PRO O O 5.917 -0.528 12.288 1.00 . A A . 10 PRO O 1 1 5 845 1 1 11 NH2 HN1 H 5.473 -0.688 14.729 1.00 . A A . 11 NH2 HN1 1 1 5 846 1 1 11 NH2 HN2 H 5.077 -2.331 14.574 1.00 . A A . 11 NH2 HN2 1 1 5 847 1 1 11 NH2 N N 5.249 -1.458 14.165 1.00 . A A . 11 NH2 N 1 1 5 848 2 2 1 A2G C1 C 1.936 -15.520 9.904 1.00 . B A . 101 A2G C1 1 1 5 849 2 2 1 A2G C2 C 2.051 -15.473 11.430 1.00 . B A . 101 A2G C2 1 1 5 850 2 2 1 A2G C3 C 0.798 -16.099 12.047 1.00 . B A . 101 A2G C3 1 1 5 851 2 2 1 A2G C4 C -0.446 -15.404 11.491 1.00 . B A . 101 A2G C4 1 1 5 852 2 2 1 A2G C5 C -0.407 -15.433 9.963 1.00 . B A . 101 A2G C5 1 1 5 853 2 2 1 A2G C6 C -1.604 -14.661 9.401 1.00 . B A . 101 A2G C6 1 1 5 854 2 2 1 A2G C7 C 4.202 -15.587 12.550 1.00 . B A . 101 A2G C7 1 1 5 855 2 2 1 A2G C8 C 5.388 -16.452 12.961 1.00 . B A . 101 A2G C8 1 1 5 856 2 2 1 A2G H1 H 2.808 -15.057 9.468 1.00 . B A . 101 A2G H1 1 1 5 857 2 2 1 A2G H14 H -1.994 -15.181 8.538 1.00 . B A . 101 A2G H14 1 1 5 858 2 2 1 A2G H15 H -2.688 -13.645 10.656 1.00 . B A . 101 A2G H15 1 1 5 859 2 2 1 A2G H2 H 2.126 -14.444 11.748 1.00 . B A . 101 A2G H2 1 1 5 860 2 2 1 A2G H3 H 0.762 -17.150 11.801 1.00 . B A . 101 A2G H3 1 1 5 861 2 2 1 A2G H4 H -1.331 -15.917 11.839 1.00 . B A . 101 A2G H4 1 1 5 862 2 2 1 A2G H5 H -0.438 -16.455 9.616 1.00 . B A . 101 A2G H5 1 1 5 863 2 2 1 A2G H6 H -1.289 -13.669 9.111 1.00 . B A . 101 A2G H6 1 1 5 864 2 2 1 A2G H8 H 5.265 -16.769 13.986 1.00 . B A . 101 A2G H8 1 1 5 865 2 2 1 A2G H8A H 6.301 -15.882 12.868 1.00 . B A . 101 A2G H8A 1 1 5 866 2 2 1 A2G H8B H 5.440 -17.320 12.320 1.00 . B A . 101 A2G H8B 1 1 5 867 2 2 1 A2G HN2 H 3.331 -17.147 11.649 1.00 . B A . 101 A2G HN2 1 1 5 868 2 2 1 A2G HO3 H 0.783 -16.817 13.854 1.00 . B A . 101 A2G HO3 1 1 5 869 2 2 1 A2G HO4 H -1.286 -13.655 11.622 1.00 . B A . 101 A2G HO4 1 1 5 870 2 2 1 A2G N2 N 3.240 -16.196 11.866 1.00 . B A . 101 A2G N2 1 1 5 871 2 2 1 A2G O O 0.779 -14.806 9.529 1.00 . B A . 101 A2G O 1 1 5 872 2 2 1 A2G O3 O 0.838 -15.945 13.458 1.00 . B A . 101 A2G O3 1 1 5 873 2 2 1 A2G O4 O -0.474 -14.056 11.939 1.00 . B A . 101 A2G O4 1 1 5 874 2 2 1 A2G O6 O -2.614 -14.566 10.394 1.00 . B A . 101 A2G O6 1 1 5 875 2 2 1 A2G O7 O 4.155 -14.395 12.856 1.00 . B A . 101 A2G O7 1 1 6 876 1 1 1 ACE C C -1.346 -22.979 5.301 1.00 . A A . 1 ACE C 1 1 6 877 1 1 1 ACE CH3 C -2.617 -22.835 4.470 1.00 . A A . 1 ACE CH3 1 1 6 878 1 1 1 ACE H1 H -3.474 -22.786 5.127 1.00 . A A . 1 ACE H1 1 1 6 879 1 1 1 ACE H2 H -2.716 -23.686 3.813 1.00 . A A . 1 ACE H2 1 1 6 880 1 1 1 ACE H3 H -2.562 -21.931 3.883 1.00 . A A . 1 ACE H3 1 1 6 881 1 1 1 ACE O O -1.357 -22.769 6.514 1.00 . A A . 1 ACE O 1 1 6 882 1 1 2 PRO C C 1.349 -22.380 6.324 1.00 . A A . 2 PRO C 1 1 6 883 1 1 2 PRO CA C 1.051 -23.513 5.345 1.00 . A A . 2 PRO CA 1 1 6 884 1 1 2 PRO CB C 2.076 -23.527 4.200 1.00 . A A . 2 PRO CB 1 1 6 885 1 1 2 PRO CD C -0.166 -23.597 3.234 1.00 . A A . 2 PRO CD 1 1 6 886 1 1 2 PRO CG C 1.309 -23.350 2.922 1.00 . A A . 2 PRO CG 1 1 6 887 1 1 2 PRO HA H 1.075 -24.460 5.857 1.00 . A A . 2 PRO HA 1 1 6 888 1 1 2 PRO HB2 H 2.779 -22.715 4.325 1.00 . A A . 2 PRO HB2 1 1 6 889 1 1 2 PRO HB3 H 2.599 -24.471 4.184 1.00 . A A . 2 PRO HB3 1 1 6 890 1 1 2 PRO HD2 H -0.791 -22.915 2.674 1.00 . A A . 2 PRO HD2 1 1 6 891 1 1 2 PRO HD3 H -0.434 -24.621 3.024 1.00 . A A . 2 PRO HD3 1 1 6 892 1 1 2 PRO HG2 H 1.444 -22.344 2.550 1.00 . A A . 2 PRO HG2 1 1 6 893 1 1 2 PRO HG3 H 1.646 -24.064 2.188 1.00 . A A . 2 PRO HG3 1 1 6 894 1 1 2 PRO N N -0.261 -23.332 4.667 1.00 . A A . 2 PRO N 1 1 6 895 1 1 2 PRO O O 0.731 -21.317 6.269 1.00 . A A . 2 PRO O 1 1 6 896 1 1 3 PRO C C 2.826 -20.193 7.630 1.00 . A A . 3 PRO C 1 1 6 897 1 1 3 PRO CA C 2.676 -21.588 8.232 1.00 . A A . 3 PRO CA 1 1 6 898 1 1 3 PRO CB C 4.024 -22.095 8.771 1.00 . A A . 3 PRO CB 1 1 6 899 1 1 3 PRO CD C 3.060 -23.824 7.342 1.00 . A A . 3 PRO CD 1 1 6 900 1 1 3 PRO CG C 4.340 -23.364 8.036 1.00 . A A . 3 PRO CG 1 1 6 901 1 1 3 PRO HA H 1.956 -21.569 9.033 1.00 . A A . 3 PRO HA 1 1 6 902 1 1 3 PRO HB2 H 4.795 -21.359 8.588 1.00 . A A . 3 PRO HB2 1 1 6 903 1 1 3 PRO HB3 H 3.947 -22.295 9.829 1.00 . A A . 3 PRO HB3 1 1 6 904 1 1 3 PRO HD2 H 3.285 -24.241 6.369 1.00 . A A . 3 PRO HD2 1 1 6 905 1 1 3 PRO HD3 H 2.532 -24.540 7.952 1.00 . A A . 3 PRO HD3 1 1 6 906 1 1 3 PRO HG2 H 5.113 -23.179 7.302 1.00 . A A . 3 PRO HG2 1 1 6 907 1 1 3 PRO HG3 H 4.666 -24.121 8.732 1.00 . A A . 3 PRO HG3 1 1 6 908 1 1 3 PRO N N 2.281 -22.595 7.213 1.00 . A A . 3 PRO N 1 1 6 909 1 1 3 PRO O O 3.308 -20.039 6.509 1.00 . A A . 3 PRO O 1 1 6 910 1 1 4 THR C C 3.779 -17.148 8.422 1.00 . A A . 4 THR C 1 1 6 911 1 1 4 THR CA C 2.499 -17.803 7.914 1.00 . A A . 4 THR CA 1 1 6 912 1 1 4 THR CB C 1.286 -17.004 8.398 1.00 . A A . 4 THR CB 1 1 6 913 1 1 4 THR CG2 C -0.002 -17.697 7.955 1.00 . A A . 4 THR CG2 1 1 6 914 1 1 4 THR H H 2.030 -19.364 9.270 1.00 . A A . 4 THR H 1 1 6 915 1 1 4 THR HA H 2.508 -17.800 6.834 1.00 . A A . 4 THR HA 1 1 6 916 1 1 4 THR HB H 1.318 -16.007 7.987 1.00 . A A . 4 THR HB 1 1 6 917 1 1 4 THR HG21 H -0.640 -16.985 7.453 1.00 . A A . 4 THR HG21 1 1 6 918 1 1 4 THR HG22 H -0.516 -18.091 8.820 1.00 . A A . 4 THR HG22 1 1 6 919 1 1 4 THR HG23 H 0.237 -18.505 7.279 1.00 . A A . 4 THR HG23 1 1 6 920 1 1 4 THR N N 2.407 -19.181 8.383 1.00 . A A . 4 THR N 1 1 6 921 1 1 4 THR O O 4.434 -17.664 9.327 1.00 . A A . 4 THR O 1 1 6 922 1 1 4 THR OG1 O 1.315 -16.954 9.808 1.00 . A A . 4 THR OG1 1 1 6 923 1 1 5 THR C C 5.042 -13.801 8.391 1.00 . A A . 5 THR C 1 1 6 924 1 1 5 THR CA C 5.332 -15.290 8.236 1.00 . A A . 5 THR CA 1 1 6 925 1 1 5 THR CB C 6.433 -15.491 7.190 1.00 . A A . 5 THR CB 1 1 6 926 1 1 5 THR CG2 C 6.732 -16.983 7.033 1.00 . A A . 5 THR CG2 1 1 6 927 1 1 5 THR H H 3.566 -15.643 7.118 1.00 . A A . 5 THR H 1 1 6 928 1 1 5 THR HA H 5.674 -15.682 9.181 1.00 . A A . 5 THR HA 1 1 6 929 1 1 5 THR HB H 7.328 -14.976 7.500 1.00 . A A . 5 THR HB 1 1 6 930 1 1 5 THR HG21 H 6.195 -17.369 6.179 1.00 . A A . 5 THR HG21 1 1 6 931 1 1 5 THR HG22 H 6.419 -17.509 7.923 1.00 . A A . 5 THR HG22 1 1 6 932 1 1 5 THR HG23 H 7.792 -17.124 6.885 1.00 . A A . 5 THR HG23 1 1 6 933 1 1 5 THR N N 4.128 -16.008 7.834 1.00 . A A . 5 THR N 1 1 6 934 1 1 5 THR O O 4.187 -13.249 7.697 1.00 . A A . 5 THR O 1 1 6 935 1 1 5 THR OG1 O 5.978 -14.985 5.955 1.00 . A A . 5 THR OG1 1 1 6 936 1 1 6 THR C C 6.707 -10.928 8.923 1.00 . A A . 6 THR C 1 1 6 937 1 1 6 THR CA C 5.569 -11.729 9.545 1.00 . A A . 6 THR CA 1 1 6 938 1 1 6 THR CB C 5.509 -11.455 11.049 1.00 . A A . 6 THR CB 1 1 6 939 1 1 6 THR CG2 C 4.507 -12.402 11.710 1.00 . A A . 6 THR CG2 1 1 6 940 1 1 6 THR H H 6.424 -13.647 9.830 1.00 . A A . 6 THR H 1 1 6 941 1 1 6 THR HA H 4.636 -11.420 9.097 1.00 . A A . 6 THR HA 1 1 6 942 1 1 6 THR HB H 5.207 -10.434 11.221 1.00 . A A . 6 THR HB 1 1 6 943 1 1 6 THR HG21 H 5.037 -13.106 12.335 1.00 . A A . 6 THR HG21 1 1 6 944 1 1 6 THR HG22 H 3.961 -12.938 10.948 1.00 . A A . 6 THR HG22 1 1 6 945 1 1 6 THR HG23 H 3.818 -11.832 12.314 1.00 . A A . 6 THR HG23 1 1 6 946 1 1 6 THR N N 5.758 -13.156 9.306 1.00 . A A . 6 THR N 1 1 6 947 1 1 6 THR O O 7.876 -11.293 9.045 1.00 . A A . 6 THR O 1 1 6 948 1 1 6 THR OG1 O 6.788 -11.686 11.600 1.00 . A A . 6 THR OG1 1 1 6 949 1 1 7 THR C C 7.645 -7.757 8.477 1.00 . A A . 7 THR C 1 1 6 950 1 1 7 THR CA C 7.358 -8.985 7.619 1.00 . A A . 7 THR CA 1 1 6 951 1 1 7 THR CB C 6.867 -8.542 6.238 1.00 . A A . 7 THR CB 1 1 6 952 1 1 7 THR CG2 C 7.163 -9.634 5.209 1.00 . A A . 7 THR CG2 1 1 6 953 1 1 7 THR H H 5.409 -9.590 8.191 1.00 . A A . 7 THR H 1 1 6 954 1 1 7 THR HA H 8.271 -9.549 7.500 1.00 . A A . 7 THR HA 1 1 6 955 1 1 7 THR HB H 7.365 -7.631 5.950 1.00 . A A . 7 THR HB 1 1 6 956 1 1 7 THR HG21 H 6.658 -10.544 5.494 1.00 . A A . 7 THR HG21 1 1 6 957 1 1 7 THR HG22 H 8.228 -9.810 5.167 1.00 . A A . 7 THR HG22 1 1 6 958 1 1 7 THR HG23 H 6.813 -9.316 4.237 1.00 . A A . 7 THR HG23 1 1 6 959 1 1 7 THR N N 6.357 -9.832 8.256 1.00 . A A . 7 THR N 1 1 6 960 1 1 7 THR O O 6.907 -7.458 9.416 1.00 . A A . 7 THR O 1 1 6 961 1 1 7 THR OG1 O 5.472 -8.340 6.300 1.00 . A A . 7 THR OG1 1 1 6 962 1 1 8 LYS C C 8.264 -4.657 8.443 1.00 . A A . 8 LYS C 1 1 6 963 1 1 8 LYS CA C 9.095 -5.854 8.896 1.00 . A A . 8 LYS CA 1 1 6 964 1 1 8 LYS CB C 10.581 -5.554 8.690 1.00 . A A . 8 LYS CB 1 1 6 965 1 1 8 LYS CD C 12.901 -6.157 9.395 1.00 . A A . 8 LYS CD 1 1 6 966 1 1 8 LYS CE C 13.525 -7.348 8.665 1.00 . A A . 8 LYS CE 1 1 6 967 1 1 8 LYS CG C 11.413 -6.427 9.630 1.00 . A A . 8 LYS CG 1 1 6 968 1 1 8 LYS H H 9.272 -7.334 7.389 1.00 . A A . 8 LYS H 1 1 6 969 1 1 8 LYS HA H 8.916 -6.027 9.946 1.00 . A A . 8 LYS HA 1 1 6 970 1 1 8 LYS HB2 H 10.852 -5.765 7.666 1.00 . A A . 8 LYS HB2 1 1 6 971 1 1 8 LYS HB3 H 10.770 -4.513 8.906 1.00 . A A . 8 LYS HB3 1 1 6 972 1 1 8 LYS HD2 H 13.014 -5.266 8.797 1.00 . A A . 8 LYS HD2 1 1 6 973 1 1 8 LYS HD3 H 13.396 -6.020 10.345 1.00 . A A . 8 LYS HD3 1 1 6 974 1 1 8 LYS HE2 H 14.541 -7.106 8.387 1.00 . A A . 8 LYS HE2 1 1 6 975 1 1 8 LYS HE3 H 13.526 -8.209 9.316 1.00 . A A . 8 LYS HE3 1 1 6 976 1 1 8 LYS HG2 H 11.161 -6.193 10.656 1.00 . A A . 8 LYS HG2 1 1 6 977 1 1 8 LYS HG3 H 11.203 -7.468 9.436 1.00 . A A . 8 LYS HG3 1 1 6 978 1 1 8 LYS HZ1 H 13.340 -8.126 6.743 1.00 . A A . 8 LYS HZ1 1 1 6 979 1 1 8 LYS HZ2 H 12.370 -6.763 7.034 1.00 . A A . 8 LYS HZ2 1 1 6 980 1 1 8 LYS HZ3 H 11.938 -8.271 7.685 1.00 . A A . 8 LYS HZ3 1 1 6 981 1 1 8 LYS N N 8.720 -7.049 8.148 1.00 . A A . 8 LYS N 1 1 6 982 1 1 8 LYS NZ N 12.734 -7.650 7.439 1.00 . A A . 8 LYS NZ 1 1 6 983 1 1 8 LYS O O 8.652 -3.930 7.528 1.00 . A A . 8 LYS O 1 1 6 984 1 1 9 LYS C C 6.940 -2.012 9.005 1.00 . A A . 9 LYS C 1 1 6 985 1 1 9 LYS CA C 6.243 -3.345 8.746 1.00 . A A . 9 LYS CA 1 1 6 986 1 1 9 LYS CB C 4.957 -3.419 9.571 1.00 . A A . 9 LYS CB 1 1 6 987 1 1 9 LYS CD C 3.965 -4.309 11.685 1.00 . A A . 9 LYS CD 1 1 6 988 1 1 9 LYS CE C 4.178 -5.268 12.857 1.00 . A A . 9 LYS CE 1 1 6 989 1 1 9 LYS CG C 5.138 -4.426 10.709 1.00 . A A . 9 LYS CG 1 1 6 990 1 1 9 LYS H H 6.863 -5.069 9.811 1.00 . A A . 9 LYS H 1 1 6 991 1 1 9 LYS HA H 5.990 -3.410 7.699 1.00 . A A . 9 LYS HA 1 1 6 992 1 1 9 LYS HB2 H 4.736 -2.444 9.982 1.00 . A A . 9 LYS HB2 1 1 6 993 1 1 9 LYS HB3 H 4.142 -3.737 8.939 1.00 . A A . 9 LYS HB3 1 1 6 994 1 1 9 LYS HD2 H 3.904 -3.295 12.055 1.00 . A A . 9 LYS HD2 1 1 6 995 1 1 9 LYS HD3 H 3.047 -4.563 11.177 1.00 . A A . 9 LYS HD3 1 1 6 996 1 1 9 LYS HE2 H 3.226 -5.500 13.310 1.00 . A A . 9 LYS HE2 1 1 6 997 1 1 9 LYS HE3 H 4.639 -6.178 12.500 1.00 . A A . 9 LYS HE3 1 1 6 998 1 1 9 LYS HG2 H 5.172 -5.426 10.303 1.00 . A A . 9 LYS HG2 1 1 6 999 1 1 9 LYS HG3 H 6.060 -4.216 11.232 1.00 . A A . 9 LYS HG3 1 1 6 1000 1 1 9 LYS HZ1 H 5.290 -3.658 13.569 1.00 . A A . 9 LYS HZ1 1 1 6 1001 1 1 9 LYS HZ2 H 5.947 -5.176 13.953 1.00 . A A . 9 LYS HZ2 1 1 6 1002 1 1 9 LYS HZ3 H 4.583 -4.601 14.788 1.00 . A A . 9 LYS HZ3 1 1 6 1003 1 1 9 LYS N N 7.121 -4.458 9.090 1.00 . A A . 9 LYS N 1 1 6 1004 1 1 9 LYS NZ N 5.067 -4.628 13.868 1.00 . A A . 9 LYS NZ 1 1 6 1005 1 1 9 LYS O O 7.897 -1.940 9.775 1.00 . A A . 9 LYS O 1 1 6 1006 1 1 10 PRO C C 7.342 0.734 9.987 1.00 . A A . 10 PRO C 1 1 6 1007 1 1 10 PRO CA C 7.054 0.394 8.527 1.00 . A A . 10 PRO CA 1 1 6 1008 1 1 10 PRO CB C 5.983 1.333 7.949 1.00 . A A . 10 PRO CB 1 1 6 1009 1 1 10 PRO CD C 5.342 -0.971 7.452 1.00 . A A . 10 PRO CD 1 1 6 1010 1 1 10 PRO CG C 4.841 0.470 7.498 1.00 . A A . 10 PRO CG 1 1 6 1011 1 1 10 PRO HA H 7.956 0.478 7.944 1.00 . A A . 10 PRO HA 1 1 6 1012 1 1 10 PRO HB2 H 5.649 2.023 8.711 1.00 . A A . 10 PRO HB2 1 1 6 1013 1 1 10 PRO HB3 H 6.383 1.877 7.108 1.00 . A A . 10 PRO HB3 1 1 6 1014 1 1 10 PRO HD2 H 4.573 -1.652 7.789 1.00 . A A . 10 PRO HD2 1 1 6 1015 1 1 10 PRO HD3 H 5.673 -1.227 6.458 1.00 . A A . 10 PRO HD3 1 1 6 1016 1 1 10 PRO HG2 H 4.021 0.553 8.198 1.00 . A A . 10 PRO HG2 1 1 6 1017 1 1 10 PRO HG3 H 4.517 0.772 6.515 1.00 . A A . 10 PRO HG3 1 1 6 1018 1 1 10 PRO N N 6.475 -0.968 8.377 1.00 . A A . 10 PRO N 1 1 6 1019 1 1 10 PRO O O 6.975 -0.022 10.886 1.00 . A A . 10 PRO O 1 1 6 1020 1 1 11 NH2 HN1 H 8.863 2.006 9.885 1.00 . A A . 11 NH2 HN1 1 1 6 1021 1 1 11 NH2 HN2 H 7.581 2.486 10.890 1.00 . A A . 11 NH2 HN2 1 1 6 1022 1 1 11 NH2 N N 7.981 1.834 10.277 1.00 . A A . 11 NH2 N 1 1 6 1023 2 2 1 A2G C1 C 1.633 -15.669 10.295 1.00 . B A . 101 A2G C1 1 1 6 1024 2 2 1 A2G C2 C 1.874 -15.776 11.802 1.00 . B A . 101 A2G C2 1 1 6 1025 2 2 1 A2G C3 C 0.589 -16.252 12.483 1.00 . B A . 101 A2G C3 1 1 6 1026 2 2 1 A2G C4 C -0.566 -15.325 12.097 1.00 . B A . 101 A2G C4 1 1 6 1027 2 2 1 A2G C5 C -0.652 -15.225 10.573 1.00 . B A . 101 A2G C5 1 1 6 1028 2 2 1 A2G C6 C -1.747 -14.231 10.182 1.00 . B A . 101 A2G C6 1 1 6 1029 2 2 1 A2G C7 C 4.058 -16.321 12.713 1.00 . B A . 101 A2G C7 1 1 6 1030 2 2 1 A2G C8 C 5.144 -17.376 12.891 1.00 . B A . 101 A2G C8 1 1 6 1031 2 2 1 A2G H1 H 2.532 -15.311 9.817 1.00 . B A . 101 A2G H1 1 1 6 1032 2 2 1 A2G H14 H -2.031 -14.393 9.153 1.00 . B A . 101 A2G H14 1 1 6 1033 2 2 1 A2G H15 H -3.637 -14.596 10.458 1.00 . B A . 101 A2G H15 1 1 6 1034 2 2 1 A2G H2 H 2.139 -14.802 12.189 1.00 . B A . 101 A2G H2 1 1 6 1035 2 2 1 A2G H3 H 0.364 -17.259 12.164 1.00 . B A . 101 A2G H3 1 1 6 1036 2 2 1 A2G H4 H -1.492 -15.724 12.485 1.00 . B A . 101 A2G H4 1 1 6 1037 2 2 1 A2G H5 H -0.875 -16.196 10.156 1.00 . B A . 101 A2G H5 1 1 6 1038 2 2 1 A2G H6 H -1.377 -13.223 10.299 1.00 . B A . 101 A2G H6 1 1 6 1039 2 2 1 A2G H8 H 4.869 -18.043 13.694 1.00 . B A . 101 A2G H8 1 1 6 1040 2 2 1 A2G H8A H 6.080 -16.893 13.128 1.00 . B A . 101 A2G H8A 1 1 6 1041 2 2 1 A2G H8B H 5.251 -17.939 11.975 1.00 . B A . 101 A2G H8B 1 1 6 1042 2 2 1 A2G HN2 H 2.879 -17.641 11.778 1.00 . B A . 101 A2G HN2 1 1 6 1043 2 2 1 A2G HO3 H 0.070 -16.767 14.285 1.00 . B A . 101 A2G HO3 1 1 6 1044 2 2 1 A2G HO4 H 0.218 -14.134 13.419 1.00 . B A . 101 A2G HO4 1 1 6 1045 2 2 1 A2G N2 N 2.961 -16.710 12.073 1.00 . B A . 101 A2G N2 1 1 6 1046 2 2 1 A2G O O 0.582 -14.755 10.080 1.00 . B A . 101 A2G O 1 1 6 1047 2 2 1 A2G O3 O 0.762 -16.229 13.892 1.00 . B A . 101 A2G O3 1 1 6 1048 2 2 1 A2G O4 O -0.341 -14.035 12.645 1.00 . B A . 101 A2G O4 1 1 6 1049 2 2 1 A2G O6 O -2.878 -14.420 11.020 1.00 . B A . 101 A2G O6 1 1 6 1050 2 2 1 A2G O7 O 4.227 -15.168 13.114 1.00 . B A . 101 A2G O7 1 1 7 1051 1 1 1 ACE C C -0.522 -23.863 5.363 1.00 . A A . 1 ACE C 1 1 7 1052 1 1 1 ACE CH3 C -1.811 -23.962 4.554 1.00 . A A . 1 ACE CH3 1 1 7 1053 1 1 1 ACE H1 H -1.951 -23.053 3.987 1.00 . A A . 1 ACE H1 1 1 7 1054 1 1 1 ACE H2 H -2.647 -24.101 5.223 1.00 . A A . 1 ACE H2 1 1 7 1055 1 1 1 ACE H3 H -1.749 -24.801 3.877 1.00 . A A . 1 ACE H3 1 1 7 1056 1 1 1 ACE O O -0.552 -23.695 6.582 1.00 . A A . 1 ACE O 1 1 7 1057 1 1 2 PRO C C 2.011 -22.748 6.369 1.00 . A A . 2 PRO C 1 1 7 1058 1 1 2 PRO CA C 1.933 -23.889 5.357 1.00 . A A . 2 PRO CA 1 1 7 1059 1 1 2 PRO CB C 2.917 -23.657 4.199 1.00 . A A . 2 PRO CB 1 1 7 1060 1 1 2 PRO CD C 0.719 -24.164 3.260 1.00 . A A . 2 PRO CD 1 1 7 1061 1 1 2 PRO CG C 2.105 -23.608 2.938 1.00 . A A . 2 PRO CG 1 1 7 1062 1 1 2 PRO HA H 2.164 -24.825 5.839 1.00 . A A . 2 PRO HA 1 1 7 1063 1 1 2 PRO HB2 H 3.440 -22.721 4.341 1.00 . A A . 2 PRO HB2 1 1 7 1064 1 1 2 PRO HB3 H 3.623 -24.472 4.146 1.00 . A A . 2 PRO HB3 1 1 7 1065 1 1 2 PRO HD2 H -0.044 -23.609 2.732 1.00 . A A . 2 PRO HD2 1 1 7 1066 1 1 2 PRO HD3 H 0.665 -25.214 3.022 1.00 . A A . 2 PRO HD3 1 1 7 1067 1 1 2 PRO HG2 H 2.023 -22.585 2.596 1.00 . A A . 2 PRO HG2 1 1 7 1068 1 1 2 PRO HG3 H 2.569 -24.215 2.177 1.00 . A A . 2 PRO HG3 1 1 7 1069 1 1 2 PRO N N 0.600 -23.965 4.704 1.00 . A A . 2 PRO N 1 1 7 1070 1 1 2 PRO O O 1.185 -21.834 6.355 1.00 . A A . 2 PRO O 1 1 7 1071 1 1 3 PRO C C 3.027 -20.339 7.724 1.00 . A A . 3 PRO C 1 1 7 1072 1 1 3 PRO CA C 3.182 -21.752 8.283 1.00 . A A . 3 PRO CA 1 1 7 1073 1 1 3 PRO CB C 4.616 -21.984 8.787 1.00 . A A . 3 PRO CB 1 1 7 1074 1 1 3 PRO CD C 4.003 -23.834 7.317 1.00 . A A . 3 PRO CD 1 1 7 1075 1 1 3 PRO CG C 5.174 -23.138 8.008 1.00 . A A . 3 PRO CG 1 1 7 1076 1 1 3 PRO HA H 2.489 -21.905 9.094 1.00 . A A . 3 PRO HA 1 1 7 1077 1 1 3 PRO HB2 H 5.214 -21.099 8.618 1.00 . A A . 3 PRO HB2 1 1 7 1078 1 1 3 PRO HB3 H 4.602 -22.225 9.840 1.00 . A A . 3 PRO HB3 1 1 7 1079 1 1 3 PRO HD2 H 4.290 -24.167 6.329 1.00 . A A . 3 PRO HD2 1 1 7 1080 1 1 3 PRO HD3 H 3.646 -24.661 7.911 1.00 . A A . 3 PRO HD3 1 1 7 1081 1 1 3 PRO HG2 H 5.877 -22.777 7.270 1.00 . A A . 3 PRO HG2 1 1 7 1082 1 1 3 PRO HG3 H 5.662 -23.831 8.675 1.00 . A A . 3 PRO HG3 1 1 7 1083 1 1 3 PRO N N 2.984 -22.790 7.237 1.00 . A A . 3 PRO N 1 1 7 1084 1 1 3 PRO O O 3.294 -20.095 6.547 1.00 . A A . 3 PRO O 1 1 7 1085 1 1 4 THR C C 3.646 -17.201 8.478 1.00 . A A . 4 THR C 1 1 7 1086 1 1 4 THR CA C 2.408 -18.032 8.155 1.00 . A A . 4 THR CA 1 1 7 1087 1 1 4 THR CB C 1.190 -17.430 8.861 1.00 . A A . 4 THR CB 1 1 7 1088 1 1 4 THR CG2 C -0.044 -18.293 8.588 1.00 . A A . 4 THR CG2 1 1 7 1089 1 1 4 THR H H 2.397 -19.669 9.501 1.00 . A A . 4 THR H 1 1 7 1090 1 1 4 THR HA H 2.240 -18.009 7.089 1.00 . A A . 4 THR HA 1 1 7 1091 1 1 4 THR HB H 1.016 -16.430 8.499 1.00 . A A . 4 THR HB 1 1 7 1092 1 1 4 THR HG21 H -0.197 -18.973 9.414 1.00 . A A . 4 THR HG21 1 1 7 1093 1 1 4 THR HG22 H 0.104 -18.858 7.680 1.00 . A A . 4 THR HG22 1 1 7 1094 1 1 4 THR HG23 H -0.911 -17.657 8.480 1.00 . A A . 4 THR HG23 1 1 7 1095 1 1 4 THR N N 2.595 -19.415 8.575 1.00 . A A . 4 THR N 1 1 7 1096 1 1 4 THR O O 4.206 -17.304 9.570 1.00 . A A . 4 THR O 1 1 7 1097 1 1 4 THR OG1 O 1.436 -17.414 10.249 1.00 . A A . 4 THR OG1 1 1 7 1098 1 1 5 THR C C 4.827 -14.085 7.944 1.00 . A A . 5 THR C 1 1 7 1099 1 1 5 THR CA C 5.241 -15.536 7.719 1.00 . A A . 5 THR CA 1 1 7 1100 1 1 5 THR CB C 6.157 -15.623 6.495 1.00 . A A . 5 THR CB 1 1 7 1101 1 1 5 THR CG2 C 6.567 -17.077 6.256 1.00 . A A . 5 THR CG2 1 1 7 1102 1 1 5 THR H H 3.581 -16.338 6.674 1.00 . A A . 5 THR H 1 1 7 1103 1 1 5 THR HA H 5.783 -15.885 8.585 1.00 . A A . 5 THR HA 1 1 7 1104 1 1 5 THR HB H 7.038 -15.022 6.654 1.00 . A A . 5 THR HB 1 1 7 1105 1 1 5 THR HG21 H 6.534 -17.618 7.191 1.00 . A A . 5 THR HG21 1 1 7 1106 1 1 5 THR HG22 H 7.570 -17.107 5.858 1.00 . A A . 5 THR HG22 1 1 7 1107 1 1 5 THR HG23 H 5.886 -17.532 5.553 1.00 . A A . 5 THR HG23 1 1 7 1108 1 1 5 THR N N 4.068 -16.379 7.524 1.00 . A A . 5 THR N 1 1 7 1109 1 1 5 THR O O 3.891 -13.592 7.315 1.00 . A A . 5 THR O 1 1 7 1110 1 1 5 THR OG1 O 5.446 -15.160 5.368 1.00 . A A . 5 THR OG1 1 1 7 1111 1 1 6 THR C C 6.257 -11.090 8.501 1.00 . A A . 6 THR C 1 1 7 1112 1 1 6 THR CA C 5.227 -12.013 9.146 1.00 . A A . 6 THR CA 1 1 7 1113 1 1 6 THR CB C 5.219 -11.795 10.660 1.00 . A A . 6 THR CB 1 1 7 1114 1 1 6 THR CG2 C 4.175 -12.703 11.310 1.00 . A A . 6 THR CG2 1 1 7 1115 1 1 6 THR H H 6.267 -13.852 9.315 1.00 . A A . 6 THR H 1 1 7 1116 1 1 6 THR HA H 4.250 -11.775 8.754 1.00 . A A . 6 THR HA 1 1 7 1117 1 1 6 THR HB H 4.987 -10.764 10.879 1.00 . A A . 6 THR HB 1 1 7 1118 1 1 6 THR HG21 H 4.614 -13.670 11.511 1.00 . A A . 6 THR HG21 1 1 7 1119 1 1 6 THR HG22 H 3.335 -12.821 10.642 1.00 . A A . 6 THR HG22 1 1 7 1120 1 1 6 THR HG23 H 3.840 -12.260 12.236 1.00 . A A . 6 THR HG23 1 1 7 1121 1 1 6 THR N N 5.531 -13.408 8.845 1.00 . A A . 6 THR N 1 1 7 1122 1 1 6 THR O O 7.439 -11.421 8.424 1.00 . A A . 6 THR O 1 1 7 1123 1 1 6 THR OG1 O 6.493 -12.127 11.170 1.00 . A A . 6 THR OG1 1 1 7 1124 1 1 7 THR C C 7.059 -7.854 8.383 1.00 . A A . 7 THR C 1 1 7 1125 1 1 7 THR CA C 6.689 -8.966 7.405 1.00 . A A . 7 THR CA 1 1 7 1126 1 1 7 THR CB C 6.011 -8.361 6.175 1.00 . A A . 7 THR CB 1 1 7 1127 1 1 7 THR CG2 C 5.527 -9.477 5.247 1.00 . A A . 7 THR CG2 1 1 7 1128 1 1 7 THR H H 4.845 -9.720 8.130 1.00 . A A . 7 THR H 1 1 7 1129 1 1 7 THR HA H 7.589 -9.474 7.093 1.00 . A A . 7 THR HA 1 1 7 1130 1 1 7 THR HB H 6.708 -7.731 5.645 1.00 . A A . 7 THR HB 1 1 7 1131 1 1 7 THR HG21 H 5.465 -9.103 4.236 1.00 . A A . 7 THR HG21 1 1 7 1132 1 1 7 THR HG22 H 4.553 -9.815 5.568 1.00 . A A . 7 THR HG22 1 1 7 1133 1 1 7 THR HG23 H 6.224 -10.302 5.283 1.00 . A A . 7 THR HG23 1 1 7 1134 1 1 7 THR N N 5.798 -9.930 8.041 1.00 . A A . 7 THR N 1 1 7 1135 1 1 7 THR O O 6.189 -7.245 9.003 1.00 . A A . 7 THR O 1 1 7 1136 1 1 7 THR OG1 O 4.896 -7.606 6.598 1.00 . A A . 7 THR OG1 1 1 7 1137 1 1 8 LYS C C 8.704 -5.182 8.767 1.00 . A A . 8 LYS C 1 1 7 1138 1 1 8 LYS CA C 8.832 -6.555 9.417 1.00 . A A . 8 LYS CA 1 1 7 1139 1 1 8 LYS CB C 10.293 -6.813 9.788 1.00 . A A . 8 LYS CB 1 1 7 1140 1 1 8 LYS CD C 12.082 -5.942 11.300 1.00 . A A . 8 LYS CD 1 1 7 1141 1 1 8 LYS CE C 12.907 -4.694 11.619 1.00 . A A . 8 LYS CE 1 1 7 1142 1 1 8 LYS CG C 10.886 -5.555 10.426 1.00 . A A . 8 LYS CG 1 1 7 1143 1 1 8 LYS H H 9.005 -8.114 7.991 1.00 . A A . 8 LYS H 1 1 7 1144 1 1 8 LYS HA H 8.235 -6.574 10.316 1.00 . A A . 8 LYS HA 1 1 7 1145 1 1 8 LYS HB2 H 10.347 -7.634 10.488 1.00 . A A . 8 LYS HB2 1 1 7 1146 1 1 8 LYS HB3 H 10.852 -7.060 8.898 1.00 . A A . 8 LYS HB3 1 1 7 1147 1 1 8 LYS HD2 H 11.727 -6.385 12.219 1.00 . A A . 8 LYS HD2 1 1 7 1148 1 1 8 LYS HD3 H 12.699 -6.653 10.772 1.00 . A A . 8 LYS HD3 1 1 7 1149 1 1 8 LYS HE2 H 13.634 -4.928 12.382 1.00 . A A . 8 LYS HE2 1 1 7 1150 1 1 8 LYS HE3 H 13.414 -4.360 10.726 1.00 . A A . 8 LYS HE3 1 1 7 1151 1 1 8 LYS HG2 H 11.211 -4.876 9.651 1.00 . A A . 8 LYS HG2 1 1 7 1152 1 1 8 LYS HG3 H 10.138 -5.074 11.037 1.00 . A A . 8 LYS HG3 1 1 7 1153 1 1 8 LYS HZ1 H 12.442 -3.138 12.923 1.00 . A A . 8 LYS HZ1 1 1 7 1154 1 1 8 LYS HZ2 H 11.093 -4.028 12.397 1.00 . A A . 8 LYS HZ2 1 1 7 1155 1 1 8 LYS HZ3 H 11.845 -2.922 11.350 1.00 . A A . 8 LYS HZ3 1 1 7 1156 1 1 8 LYS N N 8.356 -7.597 8.512 1.00 . A A . 8 LYS N 1 1 7 1157 1 1 8 LYS NZ N 12.003 -3.614 12.110 1.00 . A A . 8 LYS NZ 1 1 7 1158 1 1 8 LYS O O 9.311 -4.915 7.729 1.00 . A A . 8 LYS O 1 1 7 1159 1 1 9 LYS C C 6.839 -2.145 9.800 1.00 . A A . 9 LYS C 1 1 7 1160 1 1 9 LYS CA C 7.708 -2.968 8.855 1.00 . A A . 9 LYS CA 1 1 7 1161 1 1 9 LYS CB C 7.042 -3.042 7.479 1.00 . A A . 9 LYS CB 1 1 7 1162 1 1 9 LYS CD C 6.444 -1.565 5.554 1.00 . A A . 9 LYS CD 1 1 7 1163 1 1 9 LYS CE C 6.949 -0.454 4.632 1.00 . A A . 9 LYS CE 1 1 7 1164 1 1 9 LYS CG C 7.494 -1.855 6.628 1.00 . A A . 9 LYS CG 1 1 7 1165 1 1 9 LYS H H 7.451 -4.580 10.207 1.00 . A A . 9 LYS H 1 1 7 1166 1 1 9 LYS HA H 8.668 -2.485 8.751 1.00 . A A . 9 LYS HA 1 1 7 1167 1 1 9 LYS HB2 H 7.323 -3.964 6.992 1.00 . A A . 9 LYS HB2 1 1 7 1168 1 1 9 LYS HB3 H 5.969 -3.009 7.598 1.00 . A A . 9 LYS HB3 1 1 7 1169 1 1 9 LYS HD2 H 6.265 -2.460 4.977 1.00 . A A . 9 LYS HD2 1 1 7 1170 1 1 9 LYS HD3 H 5.525 -1.250 6.025 1.00 . A A . 9 LYS HD3 1 1 7 1171 1 1 9 LYS HE2 H 6.917 0.490 5.155 1.00 . A A . 9 LYS HE2 1 1 7 1172 1 1 9 LYS HE3 H 7.964 -0.667 4.334 1.00 . A A . 9 LYS HE3 1 1 7 1173 1 1 9 LYS HG2 H 7.615 -0.985 7.258 1.00 . A A . 9 LYS HG2 1 1 7 1174 1 1 9 LYS HG3 H 8.436 -2.089 6.153 1.00 . A A . 9 LYS HG3 1 1 7 1175 1 1 9 LYS HZ1 H 5.322 -1.086 3.496 1.00 . A A . 9 LYS HZ1 1 1 7 1176 1 1 9 LYS HZ2 H 6.653 -0.574 2.575 1.00 . A A . 9 LYS HZ2 1 1 7 1177 1 1 9 LYS HZ3 H 5.664 0.569 3.351 1.00 . A A . 9 LYS HZ3 1 1 7 1178 1 1 9 LYS N N 7.909 -4.313 9.384 1.00 . A A . 9 LYS N 1 1 7 1179 1 1 9 LYS NZ N 6.081 -0.381 3.422 1.00 . A A . 9 LYS NZ 1 1 7 1180 1 1 9 LYS O O 5.897 -1.477 9.373 1.00 . A A . 9 LYS O 1 1 7 1181 1 1 10 PRO C C 6.086 -0.003 11.675 1.00 . A A . 10 PRO C 1 1 7 1182 1 1 10 PRO CA C 6.382 -1.438 12.107 1.00 . A A . 10 PRO CA 1 1 7 1183 1 1 10 PRO CB C 7.300 -1.456 13.341 1.00 . A A . 10 PRO CB 1 1 7 1184 1 1 10 PRO CD C 8.240 -2.951 11.655 1.00 . A A . 10 PRO CD 1 1 7 1185 1 1 10 PRO CG C 8.539 -2.209 12.955 1.00 . A A . 10 PRO CG 1 1 7 1186 1 1 10 PRO HA H 5.464 -1.951 12.337 1.00 . A A . 10 PRO HA 1 1 7 1187 1 1 10 PRO HB2 H 7.553 -0.445 13.626 1.00 . A A . 10 PRO HB2 1 1 7 1188 1 1 10 PRO HB3 H 6.807 -1.959 14.159 1.00 . A A . 10 PRO HB3 1 1 7 1189 1 1 10 PRO HD2 H 9.103 -2.941 11.004 1.00 . A A . 10 PRO HD2 1 1 7 1190 1 1 10 PRO HD3 H 7.924 -3.963 11.858 1.00 . A A . 10 PRO HD3 1 1 7 1191 1 1 10 PRO HG2 H 9.356 -1.516 12.806 1.00 . A A . 10 PRO HG2 1 1 7 1192 1 1 10 PRO HG3 H 8.794 -2.918 13.726 1.00 . A A . 10 PRO HG3 1 1 7 1193 1 1 10 PRO N N 7.141 -2.186 11.069 1.00 . A A . 10 PRO N 1 1 7 1194 1 1 10 PRO O O 6.586 0.453 10.647 1.00 . A A . 10 PRO O 1 1 7 1195 1 1 11 NH2 HN1 H 4.456 1.075 12.029 1.00 . A A . 11 NH2 HN1 1 1 7 1196 1 1 11 NH2 HN2 H 5.549 0.964 13.324 1.00 . A A . 11 NH2 HN2 1 1 7 1197 1 1 11 NH2 N N 5.297 0.738 12.404 1.00 . A A . 11 NH2 N 1 1 7 1198 2 2 1 A2G C1 C 1.639 -16.110 10.746 1.00 . B A . 101 A2G C1 1 1 7 1199 2 2 1 A2G C2 C 2.082 -16.218 12.206 1.00 . B A . 101 A2G C2 1 1 7 1200 2 2 1 A2G C3 C 0.973 -16.888 13.019 1.00 . B A . 101 A2G C3 1 1 7 1201 2 2 1 A2G C4 C -0.343 -16.134 12.813 1.00 . B A . 101 A2G C4 1 1 7 1202 2 2 1 A2G C5 C -0.633 -15.994 11.315 1.00 . B A . 101 A2G C5 1 1 7 1203 2 2 1 A2G C6 C -1.889 -15.145 11.110 1.00 . B A . 101 A2G C6 1 1 7 1204 2 2 1 A2G C7 C 4.424 -16.458 12.799 1.00 . B A . 101 A2G C7 1 1 7 1205 2 2 1 A2G C8 C 5.630 -17.386 12.898 1.00 . B A . 101 A2G C8 1 1 7 1206 2 2 1 A2G H1 H 2.413 -15.619 10.175 1.00 . B A . 101 A2G H1 1 1 7 1207 2 2 1 A2G H14 H -2.614 -15.708 10.540 1.00 . B A . 101 A2G H14 1 1 7 1208 2 2 1 A2G H15 H -3.377 -14.629 12.250 1.00 . B A . 101 A2G H15 1 1 7 1209 2 2 1 A2G H2 H 2.256 -15.225 12.597 1.00 . B A . 101 A2G H2 1 1 7 1210 2 2 1 A2G H3 H 0.857 -17.912 12.695 1.00 . B A . 101 A2G H3 1 1 7 1211 2 2 1 A2G H4 H -1.148 -16.678 13.284 1.00 . B A . 101 A2G H4 1 1 7 1212 2 2 1 A2G H5 H -0.779 -16.971 10.879 1.00 . B A . 101 A2G H5 1 1 7 1213 2 2 1 A2G H6 H -1.631 -14.244 10.574 1.00 . B A . 101 A2G H6 1 1 7 1214 2 2 1 A2G H8 H 5.726 -17.745 13.912 1.00 . B A . 101 A2G H8 1 1 7 1215 2 2 1 A2G H8A H 6.523 -16.846 12.621 1.00 . B A . 101 A2G H8A 1 1 7 1216 2 2 1 A2G H8B H 5.495 -18.225 12.230 1.00 . B A . 101 A2G H8B 1 1 7 1217 2 2 1 A2G HN2 H 3.322 -17.923 11.993 1.00 . B A . 101 A2G HN2 1 1 7 1218 2 2 1 A2G HO3 H 1.639 -17.739 14.636 1.00 . B A . 101 A2G HO3 1 1 7 1219 2 2 1 A2G HO4 H -0.512 -14.198 12.737 1.00 . B A . 101 A2G HO4 1 1 7 1220 2 2 1 A2G N2 N 3.313 -16.992 12.302 1.00 . B A . 101 A2G N2 1 1 7 1221 2 2 1 A2G O O 0.457 -15.344 10.701 1.00 . B A . 101 A2G O 1 1 7 1222 2 2 1 A2G O3 O 1.318 -16.866 14.397 1.00 . B A . 101 A2G O3 1 1 7 1223 2 2 1 A2G O4 O -0.244 -14.843 13.396 1.00 . B A . 101 A2G O4 1 1 7 1224 2 2 1 A2G O6 O -2.441 -14.805 12.373 1.00 . B A . 101 A2G O6 1 1 7 1225 2 2 1 A2G O7 O 4.486 -15.298 13.205 1.00 . B A . 101 A2G O7 1 1 8 1226 1 1 1 ACE C C 0.617 -23.785 4.598 1.00 . A A . 1 ACE C 1 1 8 1227 1 1 1 ACE CH3 C 1.028 -24.572 3.358 1.00 . A A . 1 ACE CH3 1 1 8 1228 1 1 1 ACE H1 H 0.298 -25.344 3.164 1.00 . A A . 1 ACE H1 1 1 8 1229 1 1 1 ACE H2 H 1.995 -25.024 3.522 1.00 . A A . 1 ACE H2 1 1 8 1230 1 1 1 ACE H3 H 1.082 -23.906 2.510 1.00 . A A . 1 ACE H3 1 1 8 1231 1 1 1 ACE O O 0.644 -22.556 4.602 1.00 . A A . 1 ACE O 1 1 8 1232 1 1 2 PRO C C 0.750 -22.721 7.353 1.00 . A A . 2 PRO C 1 1 8 1233 1 1 2 PRO CA C -0.187 -23.848 6.921 1.00 . A A . 2 PRO CA 1 1 8 1234 1 1 2 PRO CB C -0.152 -24.998 7.941 1.00 . A A . 2 PRO CB 1 1 8 1235 1 1 2 PRO CD C 0.183 -25.934 5.711 1.00 . A A . 2 PRO CD 1 1 8 1236 1 1 2 PRO CG C 0.300 -26.224 7.204 1.00 . A A . 2 PRO CG 1 1 8 1237 1 1 2 PRO HA H -1.195 -23.479 6.833 1.00 . A A . 2 PRO HA 1 1 8 1238 1 1 2 PRO HB2 H 0.541 -24.764 8.736 1.00 . A A . 2 PRO HB2 1 1 8 1239 1 1 2 PRO HB3 H -1.139 -25.160 8.348 1.00 . A A . 2 PRO HB3 1 1 8 1240 1 1 2 PRO HD2 H 1.010 -26.378 5.172 1.00 . A A . 2 PRO HD2 1 1 8 1241 1 1 2 PRO HD3 H -0.760 -26.289 5.327 1.00 . A A . 2 PRO HD3 1 1 8 1242 1 1 2 PRO HG2 H 1.328 -26.444 7.460 1.00 . A A . 2 PRO HG2 1 1 8 1243 1 1 2 PRO HG3 H -0.330 -27.061 7.461 1.00 . A A . 2 PRO HG3 1 1 8 1244 1 1 2 PRO N N 0.242 -24.475 5.641 1.00 . A A . 2 PRO N 1 1 8 1245 1 1 2 PRO O O 0.310 -21.603 7.623 1.00 . A A . 2 PRO O 1 1 8 1246 1 1 3 PRO C C 2.831 -20.634 7.227 1.00 . A A . 3 PRO C 1 1 8 1247 1 1 3 PRO CA C 3.053 -22.016 7.844 1.00 . A A . 3 PRO CA 1 1 8 1248 1 1 3 PRO CB C 4.381 -22.630 7.370 1.00 . A A . 3 PRO CB 1 1 8 1249 1 1 3 PRO CD C 2.619 -24.299 7.113 1.00 . A A . 3 PRO CD 1 1 8 1250 1 1 3 PRO CG C 4.046 -23.937 6.710 1.00 . A A . 3 PRO CG 1 1 8 1251 1 1 3 PRO HA H 3.066 -21.936 8.919 1.00 . A A . 3 PRO HA 1 1 8 1252 1 1 3 PRO HB2 H 4.860 -21.968 6.662 1.00 . A A . 3 PRO HB2 1 1 8 1253 1 1 3 PRO HB3 H 5.031 -22.802 8.214 1.00 . A A . 3 PRO HB3 1 1 8 1254 1 1 3 PRO HD2 H 2.102 -24.774 6.290 1.00 . A A . 3 PRO HD2 1 1 8 1255 1 1 3 PRO HD3 H 2.617 -24.933 7.986 1.00 . A A . 3 PRO HD3 1 1 8 1256 1 1 3 PRO HG2 H 4.112 -23.834 5.636 1.00 . A A . 3 PRO HG2 1 1 8 1257 1 1 3 PRO HG3 H 4.724 -24.705 7.050 1.00 . A A . 3 PRO HG3 1 1 8 1258 1 1 3 PRO N N 2.020 -23.003 7.426 1.00 . A A . 3 PRO N 1 1 8 1259 1 1 3 PRO O O 2.288 -20.513 6.130 1.00 . A A . 3 PRO O 1 1 8 1260 1 1 4 THR C C 4.348 -17.404 7.887 1.00 . A A . 4 THR C 1 1 8 1261 1 1 4 THR CA C 3.131 -18.229 7.454 1.00 . A A . 4 THR CA 1 1 8 1262 1 1 4 THR CB C 1.827 -17.613 7.989 1.00 . A A . 4 THR CB 1 1 8 1263 1 1 4 THR CG2 C 0.612 -18.415 7.502 1.00 . A A . 4 THR CG2 1 1 8 1264 1 1 4 THR H H 3.710 -19.761 8.798 1.00 . A A . 4 THR H 1 1 8 1265 1 1 4 THR HA H 3.091 -18.248 6.375 1.00 . A A . 4 THR HA 1 1 8 1266 1 1 4 THR HB H 1.744 -16.591 7.663 1.00 . A A . 4 THR HB 1 1 8 1267 1 1 4 THR HG21 H 0.780 -18.749 6.488 1.00 . A A . 4 THR HG21 1 1 8 1268 1 1 4 THR HG22 H -0.269 -17.793 7.534 1.00 . A A . 4 THR HG22 1 1 8 1269 1 1 4 THR HG23 H 0.470 -19.273 8.142 1.00 . A A . 4 THR HG23 1 1 8 1270 1 1 4 THR N N 3.272 -19.600 7.937 1.00 . A A . 4 THR N 1 1 8 1271 1 1 4 THR O O 5.198 -17.882 8.637 1.00 . A A . 4 THR O 1 1 8 1272 1 1 4 THR OG1 O 1.855 -17.679 9.398 1.00 . A A . 4 THR OG1 1 1 8 1273 1 1 5 THR C C 5.054 -13.897 8.012 1.00 . A A . 5 THR C 1 1 8 1274 1 1 5 THR CA C 5.567 -15.294 7.681 1.00 . A A . 5 THR CA 1 1 8 1275 1 1 5 THR CB C 6.541 -15.189 6.500 1.00 . A A . 5 THR CB 1 1 8 1276 1 1 5 THR CG2 C 6.988 -16.590 6.081 1.00 . A A . 5 THR CG2 1 1 8 1277 1 1 5 THR H H 3.747 -15.870 6.753 1.00 . A A . 5 THR H 1 1 8 1278 1 1 5 THR HA H 6.095 -15.685 8.537 1.00 . A A . 5 THR HA 1 1 8 1279 1 1 5 THR HB H 7.404 -14.611 6.790 1.00 . A A . 5 THR HB 1 1 8 1280 1 1 5 THR HG21 H 8.035 -16.569 5.817 1.00 . A A . 5 THR HG21 1 1 8 1281 1 1 5 THR HG22 H 6.409 -16.913 5.229 1.00 . A A . 5 THR HG22 1 1 8 1282 1 1 5 THR HG23 H 6.837 -17.278 6.899 1.00 . A A . 5 THR HG23 1 1 8 1283 1 1 5 THR N N 4.440 -16.179 7.372 1.00 . A A . 5 THR N 1 1 8 1284 1 1 5 THR O O 4.122 -13.405 7.377 1.00 . A A . 5 THR O 1 1 8 1285 1 1 5 THR OG1 O 5.889 -14.579 5.411 1.00 . A A . 5 THR OG1 1 1 8 1286 1 1 6 THR C C 6.244 -10.876 8.885 1.00 . A A . 6 THR C 1 1 8 1287 1 1 6 THR CA C 5.252 -11.918 9.394 1.00 . A A . 6 THR CA 1 1 8 1288 1 1 6 THR CB C 5.158 -11.833 10.919 1.00 . A A . 6 THR CB 1 1 8 1289 1 1 6 THR CG2 C 4.191 -12.896 11.442 1.00 . A A . 6 THR CG2 1 1 8 1290 1 1 6 THR H H 6.407 -13.694 9.473 1.00 . A A . 6 THR H 1 1 8 1291 1 1 6 THR HA H 4.280 -11.713 8.974 1.00 . A A . 6 THR HA 1 1 8 1292 1 1 6 THR HB H 4.806 -10.855 11.209 1.00 . A A . 6 THR HB 1 1 8 1293 1 1 6 THR HG21 H 4.727 -13.817 11.614 1.00 . A A . 6 THR HG21 1 1 8 1294 1 1 6 THR HG22 H 3.412 -13.065 10.712 1.00 . A A . 6 THR HG22 1 1 8 1295 1 1 6 THR HG23 H 3.749 -12.558 12.367 1.00 . A A . 6 THR HG23 1 1 8 1296 1 1 6 THR N N 5.666 -13.260 9.003 1.00 . A A . 6 THR N 1 1 8 1297 1 1 6 THR O O 7.455 -11.041 9.021 1.00 . A A . 6 THR O 1 1 8 1298 1 1 6 THR OG1 O 6.437 -12.073 11.464 1.00 . A A . 6 THR OG1 1 1 8 1299 1 1 7 THR C C 6.616 -7.565 8.748 1.00 . A A . 7 THR C 1 1 8 1300 1 1 7 THR CA C 6.573 -8.741 7.778 1.00 . A A . 7 THR CA 1 1 8 1301 1 1 7 THR CB C 6.043 -8.267 6.422 1.00 . A A . 7 THR CB 1 1 8 1302 1 1 7 THR CG2 C 5.833 -9.466 5.498 1.00 . A A . 7 THR CG2 1 1 8 1303 1 1 7 THR H H 4.747 -9.723 8.221 1.00 . A A . 7 THR H 1 1 8 1304 1 1 7 THR HA H 7.573 -9.126 7.646 1.00 . A A . 7 THR HA 1 1 8 1305 1 1 7 THR HB H 6.750 -7.586 5.973 1.00 . A A . 7 THR HB 1 1 8 1306 1 1 7 THR HG21 H 6.655 -10.158 5.611 1.00 . A A . 7 THR HG21 1 1 8 1307 1 1 7 THR HG22 H 5.786 -9.127 4.474 1.00 . A A . 7 THR HG22 1 1 8 1308 1 1 7 THR HG23 H 4.908 -9.962 5.756 1.00 . A A . 7 THR HG23 1 1 8 1309 1 1 7 THR N N 5.721 -9.803 8.301 1.00 . A A . 7 THR N 1 1 8 1310 1 1 7 THR O O 5.582 -7.127 9.252 1.00 . A A . 7 THR O 1 1 8 1311 1 1 7 THR OG1 O 4.804 -7.622 6.623 1.00 . A A . 7 THR OG1 1 1 8 1312 1 1 8 LYS C C 7.667 -4.622 9.213 1.00 . A A . 8 LYS C 1 1 8 1313 1 1 8 LYS CA C 7.981 -5.936 9.921 1.00 . A A . 8 LYS CA 1 1 8 1314 1 1 8 LYS CB C 9.414 -5.900 10.457 1.00 . A A . 8 LYS CB 1 1 8 1315 1 1 8 LYS CD C 9.249 -6.148 12.937 1.00 . A A . 8 LYS CD 1 1 8 1316 1 1 8 LYS CE C 9.249 -7.151 14.092 1.00 . A A . 8 LYS CE 1 1 8 1317 1 1 8 LYS CG C 9.547 -6.877 11.626 1.00 . A A . 8 LYS CG 1 1 8 1318 1 1 8 LYS H H 8.608 -7.451 8.577 1.00 . A A . 8 LYS H 1 1 8 1319 1 1 8 LYS HA H 7.302 -6.058 10.751 1.00 . A A . 8 LYS HA 1 1 8 1320 1 1 8 LYS HB2 H 10.099 -6.184 9.670 1.00 . A A . 8 LYS HB2 1 1 8 1321 1 1 8 LYS HB3 H 9.647 -4.903 10.796 1.00 . A A . 8 LYS HB3 1 1 8 1322 1 1 8 LYS HD2 H 10.006 -5.397 13.111 1.00 . A A . 8 LYS HD2 1 1 8 1323 1 1 8 LYS HD3 H 8.281 -5.675 12.874 1.00 . A A . 8 LYS HD3 1 1 8 1324 1 1 8 LYS HE2 H 9.643 -8.095 13.748 1.00 . A A . 8 LYS HE2 1 1 8 1325 1 1 8 LYS HE3 H 9.864 -6.775 14.896 1.00 . A A . 8 LYS HE3 1 1 8 1326 1 1 8 LYS HG2 H 8.845 -7.689 11.498 1.00 . A A . 8 LYS HG2 1 1 8 1327 1 1 8 LYS HG3 H 10.552 -7.270 11.656 1.00 . A A . 8 LYS HG3 1 1 8 1328 1 1 8 LYS HZ1 H 7.510 -6.459 15.007 1.00 . A A . 8 LYS HZ1 1 1 8 1329 1 1 8 LYS HZ2 H 7.841 -8.101 15.297 1.00 . A A . 8 LYS HZ2 1 1 8 1330 1 1 8 LYS HZ3 H 7.240 -7.606 13.786 1.00 . A A . 8 LYS HZ3 1 1 8 1331 1 1 8 LYS N N 7.818 -7.061 9.007 1.00 . A A . 8 LYS N 1 1 8 1332 1 1 8 LYS NZ N 7.854 -7.343 14.583 1.00 . A A . 8 LYS NZ 1 1 8 1333 1 1 8 LYS O O 7.465 -4.592 7.999 1.00 . A A . 8 LYS O 1 1 8 1334 1 1 9 LYS C C 8.418 -1.817 8.422 1.00 . A A . 9 LYS C 1 1 8 1335 1 1 9 LYS CA C 7.337 -2.225 9.418 1.00 . A A . 9 LYS CA 1 1 8 1336 1 1 9 LYS CB C 7.253 -1.184 10.537 1.00 . A A . 9 LYS CB 1 1 8 1337 1 1 9 LYS CD C 5.341 -2.446 11.536 1.00 . A A . 9 LYS CD 1 1 8 1338 1 1 9 LYS CE C 4.390 -2.256 12.718 1.00 . A A . 9 LYS CE 1 1 8 1339 1 1 9 LYS CG C 5.809 -1.079 11.029 1.00 . A A . 9 LYS CG 1 1 8 1340 1 1 9 LYS H H 7.797 -3.623 10.943 1.00 . A A . 9 LYS H 1 1 8 1341 1 1 9 LYS HA H 6.387 -2.265 8.907 1.00 . A A . 9 LYS HA 1 1 8 1342 1 1 9 LYS HB2 H 7.893 -1.482 11.354 1.00 . A A . 9 LYS HB2 1 1 8 1343 1 1 9 LYS HB3 H 7.573 -0.224 10.160 1.00 . A A . 9 LYS HB3 1 1 8 1344 1 1 9 LYS HD2 H 4.830 -2.969 10.740 1.00 . A A . 9 LYS HD2 1 1 8 1345 1 1 9 LYS HD3 H 6.197 -3.023 11.854 1.00 . A A . 9 LYS HD3 1 1 8 1346 1 1 9 LYS HE2 H 3.543 -1.662 12.406 1.00 . A A . 9 LYS HE2 1 1 8 1347 1 1 9 LYS HE3 H 4.046 -3.219 13.062 1.00 . A A . 9 LYS HE3 1 1 8 1348 1 1 9 LYS HG2 H 5.754 -0.359 11.834 1.00 . A A . 9 LYS HG2 1 1 8 1349 1 1 9 LYS HG3 H 5.173 -0.762 10.218 1.00 . A A . 9 LYS HG3 1 1 8 1350 1 1 9 LYS HZ1 H 5.087 -0.532 13.656 1.00 . A A . 9 LYS HZ1 1 1 8 1351 1 1 9 LYS HZ2 H 6.091 -1.888 13.860 1.00 . A A . 9 LYS HZ2 1 1 8 1352 1 1 9 LYS HZ3 H 4.635 -1.768 14.727 1.00 . A A . 9 LYS HZ3 1 1 8 1353 1 1 9 LYS N N 7.628 -3.538 9.981 1.00 . A A . 9 LYS N 1 1 8 1354 1 1 9 LYS NZ N 5.105 -1.558 13.823 1.00 . A A . 9 LYS NZ 1 1 8 1355 1 1 9 LYS O O 9.556 -2.280 8.500 1.00 . A A . 9 LYS O 1 1 8 1356 1 1 10 PRO C C 10.385 -0.117 7.040 1.00 . A A . 10 PRO C 1 1 8 1357 1 1 10 PRO CA C 9.023 -0.480 6.453 1.00 . A A . 10 PRO CA 1 1 8 1358 1 1 10 PRO CB C 8.338 0.761 5.859 1.00 . A A . 10 PRO CB 1 1 8 1359 1 1 10 PRO CD C 6.755 -0.366 7.337 1.00 . A A . 10 PRO CD 1 1 8 1360 1 1 10 PRO CG C 7.036 0.933 6.587 1.00 . A A . 10 PRO CG 1 1 8 1361 1 1 10 PRO HA H 9.140 -1.226 5.683 1.00 . A A . 10 PRO HA 1 1 8 1362 1 1 10 PRO HB2 H 8.962 1.631 6.004 1.00 . A A . 10 PRO HB2 1 1 8 1363 1 1 10 PRO HB3 H 8.150 0.611 4.807 1.00 . A A . 10 PRO HB3 1 1 8 1364 1 1 10 PRO HD2 H 6.309 -0.159 8.301 1.00 . A A . 10 PRO HD2 1 1 8 1365 1 1 10 PRO HD3 H 6.119 -1.013 6.753 1.00 . A A . 10 PRO HD3 1 1 8 1366 1 1 10 PRO HG2 H 7.114 1.754 7.286 1.00 . A A . 10 PRO HG2 1 1 8 1367 1 1 10 PRO HG3 H 6.243 1.124 5.882 1.00 . A A . 10 PRO HG3 1 1 8 1368 1 1 10 PRO N N 8.078 -0.964 7.494 1.00 . A A . 10 PRO N 1 1 8 1369 1 1 10 PRO O O 11.402 -0.201 6.351 1.00 . A A . 10 PRO O 1 1 8 1370 1 1 11 NH2 HN1 H 11.224 0.829 8.571 1.00 . A A . 11 NH2 HN1 1 1 8 1371 1 1 11 NH2 HN2 H 9.749 0.060 8.913 1.00 . A A . 11 NH2 HN2 1 1 8 1372 1 1 11 NH2 N N 10.465 0.281 8.280 1.00 . A A . 11 NH2 N 1 1 8 1373 2 2 1 A2G C1 C 2.053 -16.424 10.012 1.00 . B A . 101 A2G C1 1 1 8 1374 2 2 1 A2G C2 C 2.364 -16.648 11.488 1.00 . B A . 101 A2G C2 1 1 8 1375 2 2 1 A2G C3 C 1.207 -17.425 12.114 1.00 . B A . 101 A2G C3 1 1 8 1376 2 2 1 A2G C4 C -0.107 -16.671 11.864 1.00 . B A . 101 A2G C4 1 1 8 1377 2 2 1 A2G C5 C -0.250 -16.351 10.369 1.00 . B A . 101 A2G C5 1 1 8 1378 2 2 1 A2G C6 C -1.488 -15.482 10.137 1.00 . B A . 101 A2G C6 1 1 8 1379 2 2 1 A2G C7 C 4.624 -16.873 12.346 1.00 . B A . 101 A2G C7 1 1 8 1380 2 2 1 A2G C8 C 5.881 -17.731 12.433 1.00 . B A . 101 A2G C8 1 1 8 1381 2 2 1 A2G H1 H 2.877 -15.907 9.544 1.00 . B A . 101 A2G H1 1 1 8 1382 2 2 1 A2G H14 H -1.960 -15.769 9.208 1.00 . B A . 101 A2G H14 1 1 8 1383 2 2 1 A2G H15 H -2.443 -16.598 11.410 1.00 . B A . 101 A2G H15 1 1 8 1384 2 2 1 A2G H2 H 2.453 -15.690 11.980 1.00 . B A . 101 A2G H2 1 1 8 1385 2 2 1 A2G H3 H 1.150 -18.407 11.669 1.00 . B A . 101 A2G H3 1 1 8 1386 2 2 1 A2G H4 H -0.936 -17.286 12.178 1.00 . B A . 101 A2G H4 1 1 8 1387 2 2 1 A2G H5 H -0.343 -17.270 9.809 1.00 . B A . 101 A2G H5 1 1 8 1388 2 2 1 A2G H6 H -1.194 -14.444 10.084 1.00 . B A . 101 A2G H6 1 1 8 1389 2 2 1 A2G H8 H 5.870 -18.293 13.356 1.00 . B A . 101 A2G H8 1 1 8 1390 2 2 1 A2G H8A H 6.754 -17.094 12.410 1.00 . B A . 101 A2G H8A 1 1 8 1391 2 2 1 A2G H8B H 5.910 -18.412 11.596 1.00 . B A . 101 A2G H8B 1 1 8 1392 2 2 1 A2G HN2 H 3.706 -18.271 11.246 1.00 . B A . 101 A2G HN2 1 1 8 1393 2 2 1 A2G HO3 H 0.678 -18.024 13.887 1.00 . B A . 101 A2G HO3 1 1 8 1394 2 2 1 A2G HO4 H 0.239 -15.650 13.481 1.00 . B A . 101 A2G HO4 1 1 8 1395 2 2 1 A2G N2 N 3.616 -17.380 11.642 1.00 . B A . 101 A2G N2 1 1 8 1396 2 2 1 A2G O O 0.889 -15.638 9.942 1.00 . B A . 101 A2G O 1 1 8 1397 2 2 1 A2G O3 O 1.424 -17.551 13.512 1.00 . B A . 101 A2G O3 1 1 8 1398 2 2 1 A2G O4 O -0.108 -15.461 12.607 1.00 . B A . 101 A2G O4 1 1 8 1399 2 2 1 A2G O6 O -2.403 -15.660 11.206 1.00 . B A . 101 A2G O6 1 1 8 1400 2 2 1 A2G O7 O 4.568 -15.777 12.905 1.00 . B A . 101 A2G O7 1 1 9 1401 1 1 1 ACE C C 1.386 -23.986 4.634 1.00 . A A . 1 ACE C 1 1 9 1402 1 1 1 ACE CH3 C 2.024 -24.685 3.439 1.00 . A A . 1 ACE CH3 1 1 9 1403 1 1 1 ACE H1 H 2.078 -23.999 2.606 1.00 . A A . 1 ACE H1 1 1 9 1404 1 1 1 ACE H2 H 1.427 -25.541 3.162 1.00 . A A . 1 ACE H2 1 1 9 1405 1 1 1 ACE H3 H 3.019 -25.011 3.700 1.00 . A A . 1 ACE H3 1 1 9 1406 1 1 1 ACE O O 1.242 -22.763 4.649 1.00 . A A . 1 ACE O 1 1 9 1407 1 1 2 PRO C C 1.107 -22.976 7.396 1.00 . A A . 2 PRO C 1 1 9 1408 1 1 2 PRO CA C 0.369 -24.201 6.860 1.00 . A A . 2 PRO CA 1 1 9 1409 1 1 2 PRO CB C 0.434 -25.357 7.869 1.00 . A A . 2 PRO CB 1 1 9 1410 1 1 2 PRO CD C 1.143 -26.196 5.684 1.00 . A A . 2 PRO CD 1 1 9 1411 1 1 2 PRO CG C 1.108 -26.507 7.180 1.00 . A A . 2 PRO CG 1 1 9 1412 1 1 2 PRO HA H -0.662 -23.955 6.665 1.00 . A A . 2 PRO HA 1 1 9 1413 1 1 2 PRO HB2 H 1.007 -25.058 8.736 1.00 . A A . 2 PRO HB2 1 1 9 1414 1 1 2 PRO HB3 H -0.562 -25.644 8.166 1.00 . A A . 2 PRO HB3 1 1 9 1415 1 1 2 PRO HD2 H 2.085 -26.510 5.254 1.00 . A A . 2 PRO HD2 1 1 9 1416 1 1 2 PRO HD3 H 0.315 -26.669 5.179 1.00 . A A . 2 PRO HD3 1 1 9 1417 1 1 2 PRO HG2 H 2.115 -26.619 7.557 1.00 . A A . 2 PRO HG2 1 1 9 1418 1 1 2 PRO HG3 H 0.550 -27.414 7.347 1.00 . A A . 2 PRO HG3 1 1 9 1419 1 1 2 PRO N N 1.007 -24.742 5.628 1.00 . A A . 2 PRO N 1 1 9 1420 1 1 2 PRO O O 0.506 -21.924 7.615 1.00 . A A . 2 PRO O 1 1 9 1421 1 1 3 PRO C C 2.904 -20.657 7.498 1.00 . A A . 3 PRO C 1 1 9 1422 1 1 3 PRO CA C 3.233 -21.999 8.145 1.00 . A A . 3 PRO CA 1 1 9 1423 1 1 3 PRO CB C 4.672 -22.431 7.820 1.00 . A A . 3 PRO CB 1 1 9 1424 1 1 3 PRO CD C 3.179 -24.305 7.367 1.00 . A A . 3 PRO CD 1 1 9 1425 1 1 3 PRO CG C 4.581 -23.755 7.120 1.00 . A A . 3 PRO CG 1 1 9 1426 1 1 3 PRO HA H 3.114 -21.930 9.214 1.00 . A A . 3 PRO HA 1 1 9 1427 1 1 3 PRO HB2 H 5.139 -21.700 7.176 1.00 . A A . 3 PRO HB2 1 1 9 1428 1 1 3 PRO HB3 H 5.241 -22.538 8.732 1.00 . A A . 3 PRO HB3 1 1 9 1429 1 1 3 PRO HD2 H 2.818 -24.832 6.495 1.00 . A A . 3 PRO HD2 1 1 9 1430 1 1 3 PRO HD3 H 3.166 -24.944 8.235 1.00 . A A . 3 PRO HD3 1 1 9 1431 1 1 3 PRO HG2 H 4.747 -23.621 6.059 1.00 . A A . 3 PRO HG2 1 1 9 1432 1 1 3 PRO HG3 H 5.312 -24.437 7.525 1.00 . A A . 3 PRO HG3 1 1 9 1433 1 1 3 PRO N N 2.388 -23.101 7.611 1.00 . A A . 3 PRO N 1 1 9 1434 1 1 3 PRO O O 2.373 -20.603 6.388 1.00 . A A . 3 PRO O 1 1 9 1435 1 1 4 THR C C 4.080 -17.279 8.109 1.00 . A A . 4 THR C 1 1 9 1436 1 1 4 THR CA C 2.965 -18.234 7.690 1.00 . A A . 4 THR CA 1 1 9 1437 1 1 4 THR CB C 1.627 -17.721 8.231 1.00 . A A . 4 THR CB 1 1 9 1438 1 1 4 THR CG2 C 0.503 -18.675 7.826 1.00 . A A . 4 THR CG2 1 1 9 1439 1 1 4 THR H H 3.651 -19.681 9.077 1.00 . A A . 4 THR H 1 1 9 1440 1 1 4 THR HA H 2.917 -18.270 6.612 1.00 . A A . 4 THR HA 1 1 9 1441 1 1 4 THR HB H 1.427 -16.742 7.831 1.00 . A A . 4 THR HB 1 1 9 1442 1 1 4 THR HG21 H 0.457 -19.494 8.528 1.00 . A A . 4 THR HG21 1 1 9 1443 1 1 4 THR HG22 H 0.697 -19.059 6.837 1.00 . A A . 4 THR HG22 1 1 9 1444 1 1 4 THR HG23 H -0.438 -18.145 7.829 1.00 . A A . 4 THR HG23 1 1 9 1445 1 1 4 THR N N 3.226 -19.576 8.200 1.00 . A A . 4 THR N 1 1 9 1446 1 1 4 THR O O 4.563 -17.333 9.239 1.00 . A A . 4 THR O 1 1 9 1447 1 1 4 THR OG1 O 1.693 -17.671 9.639 1.00 . A A . 4 THR OG1 1 1 9 1448 1 1 5 THR C C 4.982 -14.049 7.677 1.00 . A A . 5 THR C 1 1 9 1449 1 1 5 THR CA C 5.552 -15.451 7.479 1.00 . A A . 5 THR CA 1 1 9 1450 1 1 5 THR CB C 6.567 -15.433 6.333 1.00 . A A . 5 THR CB 1 1 9 1451 1 1 5 THR CG2 C 7.137 -16.836 6.122 1.00 . A A . 5 THR CG2 1 1 9 1452 1 1 5 THR H H 4.073 -16.413 6.302 1.00 . A A . 5 THR H 1 1 9 1453 1 1 5 THR HA H 6.057 -15.754 8.384 1.00 . A A . 5 THR HA 1 1 9 1454 1 1 5 THR HB H 7.369 -14.750 6.565 1.00 . A A . 5 THR HB 1 1 9 1455 1 1 5 THR HG21 H 7.117 -17.376 7.057 1.00 . A A . 5 THR HG21 1 1 9 1456 1 1 5 THR HG22 H 8.155 -16.763 5.770 1.00 . A A . 5 THR HG22 1 1 9 1457 1 1 5 THR HG23 H 6.540 -17.361 5.391 1.00 . A A . 5 THR HG23 1 1 9 1458 1 1 5 THR N N 4.489 -16.409 7.190 1.00 . A A . 5 THR N 1 1 9 1459 1 1 5 THR O O 4.061 -13.636 6.975 1.00 . A A . 5 THR O 1 1 9 1460 1 1 5 THR OG1 O 5.908 -15.030 5.151 1.00 . A A . 5 THR OG1 1 1 9 1461 1 1 6 THR C C 6.089 -10.946 8.370 1.00 . A A . 6 THR C 1 1 9 1462 1 1 6 THR CA C 5.093 -11.964 8.925 1.00 . A A . 6 THR CA 1 1 9 1463 1 1 6 THR CB C 4.945 -11.772 10.441 1.00 . A A . 6 THR CB 1 1 9 1464 1 1 6 THR CG2 C 3.974 -12.811 11.014 1.00 . A A . 6 THR CG2 1 1 9 1465 1 1 6 THR H H 6.280 -13.703 9.163 1.00 . A A . 6 THR H 1 1 9 1466 1 1 6 THR HA H 4.132 -11.808 8.457 1.00 . A A . 6 THR HA 1 1 9 1467 1 1 6 THR HB H 4.577 -10.780 10.649 1.00 . A A . 6 THR HB 1 1 9 1468 1 1 6 THR HG21 H 4.521 -13.695 11.308 1.00 . A A . 6 THR HG21 1 1 9 1469 1 1 6 THR HG22 H 3.243 -13.074 10.265 1.00 . A A . 6 THR HG22 1 1 9 1470 1 1 6 THR HG23 H 3.473 -12.396 11.877 1.00 . A A . 6 THR HG23 1 1 9 1471 1 1 6 THR N N 5.545 -13.321 8.638 1.00 . A A . 6 THR N 1 1 9 1472 1 1 6 THR O O 7.291 -11.215 8.298 1.00 . A A . 6 THR O 1 1 9 1473 1 1 6 THR OG1 O 6.209 -11.959 11.040 1.00 . A A . 6 THR OG1 1 1 9 1474 1 1 7 THR C C 6.730 -7.676 8.498 1.00 . A A . 7 THR C 1 1 9 1475 1 1 7 THR CA C 6.442 -8.731 7.432 1.00 . A A . 7 THR CA 1 1 9 1476 1 1 7 THR CB C 5.772 -8.074 6.218 1.00 . A A . 7 THR CB 1 1 9 1477 1 1 7 THR CG2 C 5.461 -9.137 5.163 1.00 . A A . 7 THR CG2 1 1 9 1478 1 1 7 THR H H 4.621 -9.616 8.058 1.00 . A A . 7 THR H 1 1 9 1479 1 1 7 THR HA H 7.375 -9.173 7.117 1.00 . A A . 7 THR HA 1 1 9 1480 1 1 7 THR HB H 6.428 -7.328 5.796 1.00 . A A . 7 THR HB 1 1 9 1481 1 1 7 THR HG21 H 5.503 -8.690 4.180 1.00 . A A . 7 THR HG21 1 1 9 1482 1 1 7 THR HG22 H 4.472 -9.538 5.333 1.00 . A A . 7 THR HG22 1 1 9 1483 1 1 7 THR HG23 H 6.188 -9.932 5.227 1.00 . A A . 7 THR HG23 1 1 9 1484 1 1 7 THR N N 5.584 -9.777 7.978 1.00 . A A . 7 THR N 1 1 9 1485 1 1 7 THR O O 5.820 -7.196 9.174 1.00 . A A . 7 THR O 1 1 9 1486 1 1 7 THR OG1 O 4.554 -7.483 6.631 1.00 . A A . 7 THR OG1 1 1 9 1487 1 1 8 LYS C C 8.189 -4.914 9.117 1.00 . A A . 8 LYS C 1 1 9 1488 1 1 8 LYS CA C 8.419 -6.335 9.627 1.00 . A A . 8 LYS CA 1 1 9 1489 1 1 8 LYS CB C 9.899 -6.523 9.963 1.00 . A A . 8 LYS CB 1 1 9 1490 1 1 8 LYS CD C 11.411 -6.012 11.888 1.00 . A A . 8 LYS CD 1 1 9 1491 1 1 8 LYS CE C 10.743 -6.766 13.038 1.00 . A A . 8 LYS CE 1 1 9 1492 1 1 8 LYS CG C 10.336 -5.445 10.957 1.00 . A A . 8 LYS CG 1 1 9 1493 1 1 8 LYS H H 8.682 -7.753 8.076 1.00 . A A . 8 LYS H 1 1 9 1494 1 1 8 LYS HA H 7.841 -6.477 10.528 1.00 . A A . 8 LYS HA 1 1 9 1495 1 1 8 LYS HB2 H 10.048 -7.499 10.401 1.00 . A A . 8 LYS HB2 1 1 9 1496 1 1 8 LYS HB3 H 10.487 -6.439 9.062 1.00 . A A . 8 LYS HB3 1 1 9 1497 1 1 8 LYS HD2 H 12.047 -6.687 11.333 1.00 . A A . 8 LYS HD2 1 1 9 1498 1 1 8 LYS HD3 H 12.004 -5.203 12.287 1.00 . A A . 8 LYS HD3 1 1 9 1499 1 1 8 LYS HE2 H 10.596 -6.096 13.871 1.00 . A A . 8 LYS HE2 1 1 9 1500 1 1 8 LYS HE3 H 9.787 -7.149 12.710 1.00 . A A . 8 LYS HE3 1 1 9 1501 1 1 8 LYS HG2 H 10.737 -4.600 10.416 1.00 . A A . 8 LYS HG2 1 1 9 1502 1 1 8 LYS HG3 H 9.486 -5.129 11.542 1.00 . A A . 8 LYS HG3 1 1 9 1503 1 1 8 LYS HZ1 H 11.342 -8.208 14.416 1.00 . A A . 8 LYS HZ1 1 1 9 1504 1 1 8 LYS HZ2 H 12.606 -7.592 13.463 1.00 . A A . 8 LYS HZ2 1 1 9 1505 1 1 8 LYS HZ3 H 11.495 -8.693 12.797 1.00 . A A . 8 LYS HZ3 1 1 9 1506 1 1 8 LYS N N 8.004 -7.329 8.642 1.00 . A A . 8 LYS N 1 1 9 1507 1 1 8 LYS NZ N 11.612 -7.900 13.460 1.00 . A A . 8 LYS NZ 1 1 9 1508 1 1 8 LYS O O 8.423 -4.622 7.944 1.00 . A A . 8 LYS O 1 1 9 1509 1 1 9 LYS C C 8.785 -1.943 9.194 1.00 . A A . 9 LYS C 1 1 9 1510 1 1 9 LYS CA C 7.497 -2.639 9.630 1.00 . A A . 9 LYS CA 1 1 9 1511 1 1 9 LYS CB C 6.884 -1.883 10.809 1.00 . A A . 9 LYS CB 1 1 9 1512 1 1 9 LYS CD C 4.746 -1.292 11.962 1.00 . A A . 9 LYS CD 1 1 9 1513 1 1 9 LYS CE C 3.896 -0.111 11.491 1.00 . A A . 9 LYS CE 1 1 9 1514 1 1 9 LYS CG C 5.359 -1.993 10.748 1.00 . A A . 9 LYS CG 1 1 9 1515 1 1 9 LYS H H 7.586 -4.314 10.930 1.00 . A A . 9 LYS H 1 1 9 1516 1 1 9 LYS HA H 6.798 -2.621 8.808 1.00 . A A . 9 LYS HA 1 1 9 1517 1 1 9 LYS HB2 H 7.240 -2.311 11.735 1.00 . A A . 9 LYS HB2 1 1 9 1518 1 1 9 LYS HB3 H 7.170 -0.843 10.759 1.00 . A A . 9 LYS HB3 1 1 9 1519 1 1 9 LYS HD2 H 4.125 -1.990 12.505 1.00 . A A . 9 LYS HD2 1 1 9 1520 1 1 9 LYS HD3 H 5.534 -0.932 12.606 1.00 . A A . 9 LYS HD3 1 1 9 1521 1 1 9 LYS HE2 H 3.113 -0.467 10.838 1.00 . A A . 9 LYS HE2 1 1 9 1522 1 1 9 LYS HE3 H 3.454 0.379 12.348 1.00 . A A . 9 LYS HE3 1 1 9 1523 1 1 9 LYS HG2 H 5.001 -1.526 9.842 1.00 . A A . 9 LYS HG2 1 1 9 1524 1 1 9 LYS HG3 H 5.073 -3.035 10.754 1.00 . A A . 9 LYS HG3 1 1 9 1525 1 1 9 LYS HZ1 H 4.862 1.725 11.319 1.00 . A A . 9 LYS HZ1 1 1 9 1526 1 1 9 LYS HZ2 H 4.311 1.090 9.843 1.00 . A A . 9 LYS HZ2 1 1 9 1527 1 1 9 LYS HZ3 H 5.690 0.437 10.589 1.00 . A A . 9 LYS HZ3 1 1 9 1528 1 1 9 LYS N N 7.743 -4.030 10.006 1.00 . A A . 9 LYS N 1 1 9 1529 1 1 9 LYS NZ N 4.755 0.859 10.755 1.00 . A A . 9 LYS NZ 1 1 9 1530 1 1 9 LYS O O 9.880 -2.343 9.588 1.00 . A A . 9 LYS O 1 1 9 1531 1 1 10 PRO C C 10.881 0.093 8.969 1.00 . A A . 10 PRO C 1 1 9 1532 1 1 10 PRO CA C 9.845 -0.161 7.878 1.00 . A A . 10 PRO CA 1 1 9 1533 1 1 10 PRO CB C 9.245 1.161 7.372 1.00 . A A . 10 PRO CB 1 1 9 1534 1 1 10 PRO CD C 7.422 -0.376 7.874 1.00 . A A . 10 PRO CD 1 1 9 1535 1 1 10 PRO CG C 7.768 1.089 7.623 1.00 . A A . 10 PRO CG 1 1 9 1536 1 1 10 PRO HA H 10.298 -0.687 7.053 1.00 . A A . 10 PRO HA 1 1 9 1537 1 1 10 PRO HB2 H 9.675 1.992 7.913 1.00 . A A . 10 PRO HB2 1 1 9 1538 1 1 10 PRO HB3 H 9.432 1.271 6.315 1.00 . A A . 10 PRO HB3 1 1 9 1539 1 1 10 PRO HD2 H 6.634 -0.459 8.608 1.00 . A A . 10 PRO HD2 1 1 9 1540 1 1 10 PRO HD3 H 7.146 -0.868 6.955 1.00 . A A . 10 PRO HD3 1 1 9 1541 1 1 10 PRO HG2 H 7.516 1.683 8.490 1.00 . A A . 10 PRO HG2 1 1 9 1542 1 1 10 PRO HG3 H 7.228 1.446 6.760 1.00 . A A . 10 PRO HG3 1 1 9 1543 1 1 10 PRO N N 8.673 -0.924 8.388 1.00 . A A . 10 PRO N 1 1 9 1544 1 1 10 PRO O O 12.079 0.146 8.689 1.00 . A A . 10 PRO O 1 1 9 1545 1 1 11 NH2 HN1 H 10.134 -0.466 10.720 1.00 . A A . 11 NH2 HN1 1 1 9 1546 1 1 11 NH2 HN2 H 10.571 1.169 10.609 1.00 . A A . 11 NH2 HN2 1 1 9 1547 1 1 11 NH2 N N 10.487 0.284 10.198 1.00 . A A . 11 NH2 N 1 1 9 1548 2 2 1 A2G C1 C 1.521 -16.367 10.155 1.00 . B A . 101 A2G C1 1 1 9 1549 2 2 1 A2G C2 C 1.796 -16.404 11.664 1.00 . B A . 101 A2G C2 1 1 9 1550 2 2 1 A2G C3 C 0.743 -17.271 12.354 1.00 . B A . 101 A2G C3 1 1 9 1551 2 2 1 A2G C4 C -0.647 -16.748 12.003 1.00 . B A . 101 A2G C4 1 1 9 1552 2 2 1 A2G C5 C -0.796 -16.709 10.485 1.00 . B A . 101 A2G C5 1 1 9 1553 2 2 1 A2G C6 C -2.161 -16.125 10.115 1.00 . B A . 101 A2G C6 1 1 9 1554 2 2 1 A2G C7 C 4.032 -16.241 12.597 1.00 . B A . 101 A2G C7 1 1 9 1555 2 2 1 A2G C8 C 5.343 -16.958 12.904 1.00 . B A . 101 A2G C8 1 1 9 1556 2 2 1 A2G H1 H 2.231 -15.702 9.688 1.00 . B A . 101 A2G H1 1 1 9 1557 2 2 1 A2G H14 H -2.483 -16.533 9.169 1.00 . B A . 101 A2G H14 1 1 9 1558 2 2 1 A2G H15 H -3.673 -17.151 10.777 1.00 . B A . 101 A2G H15 1 1 9 1559 2 2 1 A2G H2 H 1.739 -15.401 12.058 1.00 . B A . 101 A2G H2 1 1 9 1560 2 2 1 A2G H3 H 0.841 -18.293 12.017 1.00 . B A . 101 A2G H3 1 1 9 1561 2 2 1 A2G H4 H -1.397 -17.404 12.423 1.00 . B A . 101 A2G H4 1 1 9 1562 2 2 1 A2G H5 H -0.708 -17.708 10.087 1.00 . B A . 101 A2G H5 1 1 9 1563 2 2 1 A2G H6 H -2.082 -15.050 10.035 1.00 . B A . 101 A2G H6 1 1 9 1564 2 2 1 A2G H8 H 5.226 -17.554 13.795 1.00 . B A . 101 A2G H8 1 1 9 1565 2 2 1 A2G H8A H 6.125 -16.228 13.058 1.00 . B A . 101 A2G H8A 1 1 9 1566 2 2 1 A2G H8B H 5.607 -17.596 12.074 1.00 . B A . 101 A2G H8B 1 1 9 1567 2 2 1 A2G HN2 H 3.349 -17.846 11.613 1.00 . B A . 101 A2G HN2 1 1 9 1568 2 2 1 A2G HO3 H 0.678 -18.069 14.126 1.00 . B A . 101 A2G HO3 1 1 9 1569 2 2 1 A2G HO4 H -1.326 -14.929 11.903 1.00 . B A . 101 A2G HO4 1 1 9 1570 2 2 1 A2G N2 N 3.128 -16.941 11.918 1.00 . B A . 101 A2G N2 1 1 9 1571 2 2 1 A2G O O 0.211 -15.875 9.948 1.00 . B A . 101 A2G O 1 1 9 1572 2 2 1 A2G O3 O 0.929 -17.217 13.761 1.00 . B A . 101 A2G O3 1 1 9 1573 2 2 1 A2G O4 O -0.810 -15.441 12.532 1.00 . B A . 101 A2G O4 1 1 9 1574 2 2 1 A2G O6 O -3.107 -16.456 11.120 1.00 . B A . 101 A2G O6 1 1 9 1575 2 2 1 A2G O7 O 3.809 -15.118 13.046 1.00 . B A . 101 A2G O7 1 1 10 1576 1 1 1 ACE C C -0.129 -23.302 4.858 1.00 . A A . 1 ACE C 1 1 10 1577 1 1 1 ACE CH3 C 0.240 -24.125 3.628 1.00 . A A . 1 ACE CH3 1 1 10 1578 1 1 1 ACE H1 H 1.169 -24.647 3.809 1.00 . A A . 1 ACE H1 1 1 10 1579 1 1 1 ACE H2 H 0.356 -23.470 2.778 1.00 . A A . 1 ACE H2 1 1 10 1580 1 1 1 ACE H3 H -0.541 -24.842 3.425 1.00 . A A . 1 ACE H3 1 1 10 1581 1 1 1 ACE O O -0.013 -22.076 4.858 1.00 . A A . 1 ACE O 1 1 10 1582 1 1 2 PRO C C 0.042 -22.232 7.602 1.00 . A A . 2 PRO C 1 1 10 1583 1 1 2 PRO CA C -0.971 -23.288 7.164 1.00 . A A . 2 PRO CA 1 1 10 1584 1 1 2 PRO CB C -1.046 -24.428 8.192 1.00 . A A . 2 PRO CB 1 1 10 1585 1 1 2 PRO CD C -0.738 -25.406 5.975 1.00 . A A . 2 PRO CD 1 1 10 1586 1 1 2 PRO CG C -0.683 -25.694 7.474 1.00 . A A . 2 PRO CG 1 1 10 1587 1 1 2 PRO HA H -1.945 -22.841 7.054 1.00 . A A . 2 PRO HA 1 1 10 1588 1 1 2 PRO HB2 H -0.347 -24.244 8.996 1.00 . A A . 2 PRO HB2 1 1 10 1589 1 1 2 PRO HB3 H -2.049 -24.504 8.584 1.00 . A A . 2 PRO HB3 1 1 10 1590 1 1 2 PRO HD2 H 0.068 -25.913 5.461 1.00 . A A . 2 PRO HD2 1 1 10 1591 1 1 2 PRO HD3 H -1.694 -25.694 5.566 1.00 . A A . 2 PRO HD3 1 1 10 1592 1 1 2 PRO HG2 H 0.316 -26.000 7.755 1.00 . A A . 2 PRO HG2 1 1 10 1593 1 1 2 PRO HG3 H -1.389 -26.471 7.718 1.00 . A A . 2 PRO HG3 1 1 10 1594 1 1 2 PRO N N -0.570 -23.955 5.897 1.00 . A A . 2 PRO N 1 1 10 1595 1 1 2 PRO O O -0.317 -21.079 7.847 1.00 . A A . 2 PRO O 1 1 10 1596 1 1 3 PRO C C 2.305 -20.335 7.460 1.00 . A A . 3 PRO C 1 1 10 1597 1 1 3 PRO CA C 2.392 -21.701 8.136 1.00 . A A . 3 PRO CA 1 1 10 1598 1 1 3 PRO CB C 3.679 -22.434 7.726 1.00 . A A . 3 PRO CB 1 1 10 1599 1 1 3 PRO CD C 1.792 -23.956 7.426 1.00 . A A . 3 PRO CD 1 1 10 1600 1 1 3 PRO CG C 3.261 -23.723 7.079 1.00 . A A . 3 PRO CG 1 1 10 1601 1 1 3 PRO HA H 2.375 -21.583 9.207 1.00 . A A . 3 PRO HA 1 1 10 1602 1 1 3 PRO HB2 H 4.238 -21.832 7.023 1.00 . A A . 3 PRO HB2 1 1 10 1603 1 1 3 PRO HB3 H 4.281 -22.640 8.597 1.00 . A A . 3 PRO HB3 1 1 10 1604 1 1 3 PRO HD2 H 1.269 -24.393 6.586 1.00 . A A . 3 PRO HD2 1 1 10 1605 1 1 3 PRO HD3 H 1.700 -24.579 8.301 1.00 . A A . 3 PRO HD3 1 1 10 1606 1 1 3 PRO HG2 H 3.382 -23.652 6.008 1.00 . A A . 3 PRO HG2 1 1 10 1607 1 1 3 PRO HG3 H 3.857 -24.537 7.464 1.00 . A A . 3 PRO HG3 1 1 10 1608 1 1 3 PRO N N 1.291 -22.613 7.707 1.00 . A A . 3 PRO N 1 1 10 1609 1 1 3 PRO O O 1.733 -20.202 6.378 1.00 . A A . 3 PRO O 1 1 10 1610 1 1 4 THR C C 4.149 -17.242 7.911 1.00 . A A . 4 THR C 1 1 10 1611 1 1 4 THR CA C 2.851 -17.971 7.575 1.00 . A A . 4 THR CA 1 1 10 1612 1 1 4 THR CB C 1.665 -17.202 8.162 1.00 . A A . 4 THR CB 1 1 10 1613 1 1 4 THR CG2 C 0.363 -17.940 7.848 1.00 . A A . 4 THR CG2 1 1 10 1614 1 1 4 THR H H 3.307 -19.493 8.973 1.00 . A A . 4 THR H 1 1 10 1615 1 1 4 THR HA H 2.741 -18.018 6.502 1.00 . A A . 4 THR HA 1 1 10 1616 1 1 4 THR HB H 1.628 -16.211 7.738 1.00 . A A . 4 THR HB 1 1 10 1617 1 1 4 THR HG21 H 0.407 -18.338 6.845 1.00 . A A . 4 THR HG21 1 1 10 1618 1 1 4 THR HG22 H -0.468 -17.254 7.927 1.00 . A A . 4 THR HG22 1 1 10 1619 1 1 4 THR HG23 H 0.229 -18.749 8.551 1.00 . A A . 4 THR HG23 1 1 10 1620 1 1 4 THR N N 2.872 -19.325 8.112 1.00 . A A . 4 THR N 1 1 10 1621 1 1 4 THR O O 4.952 -17.721 8.711 1.00 . A A . 4 THR O 1 1 10 1622 1 1 4 THR OG1 O 1.822 -17.130 9.563 1.00 . A A . 4 THR OG1 1 1 10 1623 1 1 5 THR C C 5.201 -13.829 7.742 1.00 . A A . 5 THR C 1 1 10 1624 1 1 5 THR CA C 5.554 -15.298 7.535 1.00 . A A . 5 THR CA 1 1 10 1625 1 1 5 THR CB C 6.516 -15.440 6.353 1.00 . A A . 5 THR CB 1 1 10 1626 1 1 5 THR CG2 C 6.747 -16.921 6.047 1.00 . A A . 5 THR CG2 1 1 10 1627 1 1 5 THR H H 3.675 -15.750 6.663 1.00 . A A . 5 THR H 1 1 10 1628 1 1 5 THR HA H 6.039 -15.670 8.424 1.00 . A A . 5 THR HA 1 1 10 1629 1 1 5 THR HB H 7.459 -14.970 6.587 1.00 . A A . 5 THR HB 1 1 10 1630 1 1 5 THR HG21 H 6.625 -17.499 6.951 1.00 . A A . 5 THR HG21 1 1 10 1631 1 1 5 THR HG22 H 7.749 -17.058 5.666 1.00 . A A . 5 THR HG22 1 1 10 1632 1 1 5 THR HG23 H 6.032 -17.252 5.309 1.00 . A A . 5 THR HG23 1 1 10 1633 1 1 5 THR N N 4.348 -16.082 7.293 1.00 . A A . 5 THR N 1 1 10 1634 1 1 5 THR O O 4.308 -13.293 7.086 1.00 . A A . 5 THR O 1 1 10 1635 1 1 5 THR OG1 O 5.930 -14.828 5.224 1.00 . A A . 5 THR OG1 1 1 10 1636 1 1 6 THR C C 6.763 -10.901 8.348 1.00 . A A . 6 THR C 1 1 10 1637 1 1 6 THR CA C 5.673 -11.775 8.959 1.00 . A A . 6 THR CA 1 1 10 1638 1 1 6 THR CB C 5.630 -11.560 10.473 1.00 . A A . 6 THR CB 1 1 10 1639 1 1 6 THR CG2 C 4.657 -12.553 11.110 1.00 . A A . 6 THR CG2 1 1 10 1640 1 1 6 THR H H 6.609 -13.666 9.155 1.00 . A A . 6 THR H 1 1 10 1641 1 1 6 THR HA H 4.720 -11.488 8.541 1.00 . A A . 6 THR HA 1 1 10 1642 1 1 6 THR HB H 5.310 -10.552 10.690 1.00 . A A . 6 THR HB 1 1 10 1643 1 1 6 THR HG21 H 5.168 -13.483 11.304 1.00 . A A . 6 THR HG21 1 1 10 1644 1 1 6 THR HG22 H 3.830 -12.729 10.437 1.00 . A A . 6 THR HG22 1 1 10 1645 1 1 6 THR HG23 H 4.283 -12.146 12.038 1.00 . A A . 6 THR HG23 1 1 10 1646 1 1 6 THR N N 5.911 -13.184 8.664 1.00 . A A . 6 THR N 1 1 10 1647 1 1 6 THR O O 7.751 -11.405 7.813 1.00 . A A . 6 THR O 1 1 10 1648 1 1 6 THR OG1 O 6.920 -11.789 10.997 1.00 . A A . 6 THR OG1 1 1 10 1649 1 1 7 THR C C 7.740 -7.469 8.830 1.00 . A A . 7 THR C 1 1 10 1650 1 1 7 THR CA C 7.542 -8.647 7.882 1.00 . A A . 7 THR CA 1 1 10 1651 1 1 7 THR CB C 7.066 -8.141 6.518 1.00 . A A . 7 THR CB 1 1 10 1652 1 1 7 THR CG2 C 7.365 -9.188 5.443 1.00 . A A . 7 THR CG2 1 1 10 1653 1 1 7 THR H H 5.764 -9.247 8.866 1.00 . A A . 7 THR H 1 1 10 1654 1 1 7 THR HA H 8.485 -9.154 7.753 1.00 . A A . 7 THR HA 1 1 10 1655 1 1 7 THR HB H 7.566 -7.221 6.271 1.00 . A A . 7 THR HB 1 1 10 1656 1 1 7 THR HG21 H 6.788 -8.971 4.558 1.00 . A A . 7 THR HG21 1 1 10 1657 1 1 7 THR HG22 H 7.103 -10.169 5.813 1.00 . A A . 7 THR HG22 1 1 10 1658 1 1 7 THR HG23 H 8.418 -9.164 5.201 1.00 . A A . 7 THR HG23 1 1 10 1659 1 1 7 THR N N 6.571 -9.588 8.430 1.00 . A A . 7 THR N 1 1 10 1660 1 1 7 THR O O 6.846 -7.120 9.601 1.00 . A A . 7 THR O 1 1 10 1661 1 1 7 THR OG1 O 5.672 -7.941 6.580 1.00 . A A . 7 THR OG1 1 1 10 1662 1 1 8 LYS C C 8.631 -4.445 9.042 1.00 . A A . 8 LYS C 1 1 10 1663 1 1 8 LYS CA C 9.234 -5.722 9.617 1.00 . A A . 8 LYS CA 1 1 10 1664 1 1 8 LYS CB C 10.751 -5.563 9.741 1.00 . A A . 8 LYS CB 1 1 10 1665 1 1 8 LYS CD C 11.885 -6.322 11.833 1.00 . A A . 8 LYS CD 1 1 10 1666 1 1 8 LYS CE C 13.115 -5.438 11.615 1.00 . A A . 8 LYS CE 1 1 10 1667 1 1 8 LYS CG C 11.332 -6.771 10.480 1.00 . A A . 8 LYS CG 1 1 10 1668 1 1 8 LYS H H 9.593 -7.184 8.127 1.00 . A A . 8 LYS H 1 1 10 1669 1 1 8 LYS HA H 8.820 -5.894 10.599 1.00 . A A . 8 LYS HA 1 1 10 1670 1 1 8 LYS HB2 H 11.188 -5.499 8.755 1.00 . A A . 8 LYS HB2 1 1 10 1671 1 1 8 LYS HB3 H 10.975 -4.664 10.293 1.00 . A A . 8 LYS HB3 1 1 10 1672 1 1 8 LYS HD2 H 11.128 -5.763 12.363 1.00 . A A . 8 LYS HD2 1 1 10 1673 1 1 8 LYS HD3 H 12.165 -7.188 12.414 1.00 . A A . 8 LYS HD3 1 1 10 1674 1 1 8 LYS HE2 H 13.994 -5.945 11.988 1.00 . A A . 8 LYS HE2 1 1 10 1675 1 1 8 LYS HE3 H 13.235 -5.242 10.559 1.00 . A A . 8 LYS HE3 1 1 10 1676 1 1 8 LYS HG2 H 10.555 -7.506 10.633 1.00 . A A . 8 LYS HG2 1 1 10 1677 1 1 8 LYS HG3 H 12.128 -7.203 9.894 1.00 . A A . 8 LYS HG3 1 1 10 1678 1 1 8 LYS HZ1 H 12.580 -4.338 13.299 1.00 . A A . 8 LYS HZ1 1 1 10 1679 1 1 8 LYS HZ2 H 12.262 -3.551 11.828 1.00 . A A . 8 LYS HZ2 1 1 10 1680 1 1 8 LYS HZ3 H 13.854 -3.660 12.409 1.00 . A A . 8 LYS HZ3 1 1 10 1681 1 1 8 LYS N N 8.921 -6.862 8.763 1.00 . A A . 8 LYS N 1 1 10 1682 1 1 8 LYS NZ N 12.940 -4.150 12.342 1.00 . A A . 8 LYS NZ 1 1 10 1683 1 1 8 LYS O O 9.193 -3.838 8.130 1.00 . A A . 8 LYS O 1 1 10 1684 1 1 9 LYS C C 5.578 -2.542 9.956 1.00 . A A . 9 LYS C 1 1 10 1685 1 1 9 LYS CA C 6.813 -2.836 9.110 1.00 . A A . 9 LYS CA 1 1 10 1686 1 1 9 LYS CB C 6.402 -3.003 7.646 1.00 . A A . 9 LYS CB 1 1 10 1687 1 1 9 LYS CD C 5.966 -1.798 5.500 1.00 . A A . 9 LYS CD 1 1 10 1688 1 1 9 LYS CE C 7.124 -1.474 4.554 1.00 . A A . 9 LYS CE 1 1 10 1689 1 1 9 LYS CG C 6.431 -1.641 6.948 1.00 . A A . 9 LYS CG 1 1 10 1690 1 1 9 LYS H H 7.082 -4.566 10.304 1.00 . A A . 9 LYS H 1 1 10 1691 1 1 9 LYS HA H 7.495 -2.003 9.186 1.00 . A A . 9 LYS HA 1 1 10 1692 1 1 9 LYS HB2 H 7.091 -3.675 7.153 1.00 . A A . 9 LYS HB2 1 1 10 1693 1 1 9 LYS HB3 H 5.404 -3.410 7.595 1.00 . A A . 9 LYS HB3 1 1 10 1694 1 1 9 LYS HD2 H 5.639 -2.815 5.335 1.00 . A A . 9 LYS HD2 1 1 10 1695 1 1 9 LYS HD3 H 5.147 -1.121 5.309 1.00 . A A . 9 LYS HD3 1 1 10 1696 1 1 9 LYS HE2 H 6.812 -1.639 3.533 1.00 . A A . 9 LYS HE2 1 1 10 1697 1 1 9 LYS HE3 H 7.412 -0.441 4.679 1.00 . A A . 9 LYS HE3 1 1 10 1698 1 1 9 LYS HG2 H 5.774 -0.958 7.467 1.00 . A A . 9 LYS HG2 1 1 10 1699 1 1 9 LYS HG3 H 7.438 -1.251 6.961 1.00 . A A . 9 LYS HG3 1 1 10 1700 1 1 9 LYS HZ1 H 8.925 -2.389 4.050 1.00 . A A . 9 LYS HZ1 1 1 10 1701 1 1 9 LYS HZ2 H 7.940 -3.316 5.079 1.00 . A A . 9 LYS HZ2 1 1 10 1702 1 1 9 LYS HZ3 H 8.794 -1.979 5.690 1.00 . A A . 9 LYS HZ3 1 1 10 1703 1 1 9 LYS N N 7.484 -4.042 9.580 1.00 . A A . 9 LYS N 1 1 10 1704 1 1 9 LYS NZ N 8.284 -2.356 4.867 1.00 . A A . 9 LYS NZ 1 1 10 1705 1 1 9 LYS O O 4.504 -2.255 9.429 1.00 . A A . 9 LYS O 1 1 10 1706 1 1 10 PRO C C 3.801 -1.113 11.819 1.00 . A A . 10 PRO C 1 1 10 1707 1 1 10 PRO CA C 4.604 -2.353 12.203 1.00 . A A . 10 PRO CA 1 1 10 1708 1 1 10 PRO CB C 5.298 -2.154 13.561 1.00 . A A . 10 PRO CB 1 1 10 1709 1 1 10 PRO CD C 6.957 -2.944 11.952 1.00 . A A . 10 PRO CD 1 1 10 1710 1 1 10 PRO CG C 6.773 -2.303 13.326 1.00 . A A . 10 PRO CG 1 1 10 1711 1 1 10 PRO HA H 3.956 -3.212 12.255 1.00 . A A . 10 PRO HA 1 1 10 1712 1 1 10 PRO HB2 H 5.082 -1.166 13.943 1.00 . A A . 10 PRO HB2 1 1 10 1713 1 1 10 PRO HB3 H 4.961 -2.903 14.261 1.00 . A A . 10 PRO HB3 1 1 10 1714 1 1 10 PRO HD2 H 7.812 -2.516 11.446 1.00 . A A . 10 PRO HD2 1 1 10 1715 1 1 10 PRO HD3 H 7.061 -4.014 12.042 1.00 . A A . 10 PRO HD3 1 1 10 1716 1 1 10 PRO HG2 H 7.248 -1.332 13.348 1.00 . A A . 10 PRO HG2 1 1 10 1717 1 1 10 PRO HG3 H 7.202 -2.941 14.083 1.00 . A A . 10 PRO HG3 1 1 10 1718 1 1 10 PRO N N 5.718 -2.611 11.251 1.00 . A A . 10 PRO N 1 1 10 1719 1 1 10 PRO O O 4.333 -0.198 11.189 1.00 . A A . 10 PRO O 1 1 10 1720 1 1 11 NH2 HN1 H 1.916 -0.527 11.607 1.00 . A A . 11 NH2 HN1 1 1 10 1721 1 1 11 NH2 HN2 H 2.232 -1.472 12.982 1.00 . A A . 11 NH2 HN2 1 1 10 1722 1 1 11 NH2 N N 2.547 -1.026 12.167 1.00 . A A . 11 NH2 N 1 1 10 1723 2 2 1 A2G C1 C 2.152 -15.832 10.012 1.00 . B A . 101 A2G C1 1 1 10 1724 2 2 1 A2G C2 C 2.563 -15.926 11.480 1.00 . B A . 101 A2G C2 1 1 10 1725 2 2 1 A2G C3 C 1.391 -16.496 12.282 1.00 . B A . 101 A2G C3 1 1 10 1726 2 2 1 A2G C4 C 0.139 -15.647 12.038 1.00 . B A . 101 A2G C4 1 1 10 1727 2 2 1 A2G C5 C -0.107 -15.505 10.532 1.00 . B A . 101 A2G C5 1 1 10 1728 2 2 1 A2G C6 C -1.280 -14.553 10.288 1.00 . B A . 101 A2G C6 1 1 10 1729 2 2 1 A2G C7 C 4.826 -16.383 12.276 1.00 . B A . 101 A2G C7 1 1 10 1730 2 2 1 A2G C8 C 5.961 -17.398 12.373 1.00 . B A . 101 A2G C8 1 1 10 1731 2 2 1 A2G H1 H 2.973 -15.440 9.433 1.00 . B A . 101 A2G H1 1 1 10 1732 2 2 1 A2G H14 H -1.759 -14.804 9.354 1.00 . B A . 101 A2G H14 1 1 10 1733 2 2 1 A2G H15 H -1.960 -14.065 12.044 1.00 . B A . 101 A2G H15 1 1 10 1734 2 2 1 A2G H2 H 2.794 -14.938 11.850 1.00 . B A . 101 A2G H2 1 1 10 1735 2 2 1 A2G H3 H 1.202 -17.511 11.968 1.00 . B A . 101 A2G H3 1 1 10 1736 2 2 1 A2G H4 H -0.713 -16.125 12.497 1.00 . B A . 101 A2G H4 1 1 10 1737 2 2 1 A2G H5 H -0.329 -16.473 10.107 1.00 . B A . 101 A2G H5 1 1 10 1738 2 2 1 A2G H6 H -0.916 -13.537 10.246 1.00 . B A . 101 A2G H6 1 1 10 1739 2 2 1 A2G H8 H 5.818 -18.014 13.249 1.00 . B A . 101 A2G H8 1 1 10 1740 2 2 1 A2G H8A H 6.904 -16.877 12.450 1.00 . B A . 101 A2G H8A 1 1 10 1741 2 2 1 A2G H8B H 5.964 -18.020 11.490 1.00 . B A . 101 A2G H8B 1 1 10 1742 2 2 1 A2G HN2 H 3.684 -17.713 11.313 1.00 . B A . 101 A2G HN2 1 1 10 1743 2 2 1 A2G HO3 H 1.125 -15.853 14.097 1.00 . B A . 101 A2G HO3 1 1 10 1744 2 2 1 A2G HO4 H -0.401 -14.205 13.224 1.00 . B A . 101 A2G HO4 1 1 10 1745 2 2 1 A2G N2 N 3.738 -16.784 11.618 1.00 . B A . 101 A2G N2 1 1 10 1746 2 2 1 A2G O O 1.048 -14.962 9.929 1.00 . B A . 101 A2G O 1 1 10 1747 2 2 1 A2G O3 O 1.710 -16.480 13.664 1.00 . B A . 101 A2G O3 1 1 10 1748 2 2 1 A2G O4 O 0.321 -14.361 12.611 1.00 . B A . 101 A2G O4 1 1 10 1749 2 2 1 A2G O6 O -2.216 -14.676 11.349 1.00 . B A . 101 A2G O6 1 1 10 1750 2 2 1 A2G O7 O 4.925 -15.278 12.810 1.00 . B A . 101 A2G O7 1 1 11 1751 1 1 1 ACE C C 0.453 -20.531 11.708 1.00 . A A . 1 ACE C 1 1 11 1752 1 1 1 ACE CH3 C -0.133 -19.668 12.821 1.00 . A A . 1 ACE CH3 1 1 11 1753 1 1 1 ACE H1 H -0.981 -20.173 13.258 1.00 . A A . 1 ACE H1 1 1 11 1754 1 1 1 ACE H2 H -0.448 -18.719 12.414 1.00 . A A . 1 ACE H2 1 1 11 1755 1 1 1 ACE H3 H 0.618 -19.503 13.581 1.00 . A A . 1 ACE H3 1 1 11 1756 1 1 1 ACE O O 1.661 -20.761 11.656 1.00 . A A . 1 ACE O 1 1 11 1757 1 1 2 PRO C C 1.297 -21.331 9.005 1.00 . A A . 2 PRO C 1 1 11 1758 1 1 2 PRO CA C 0.042 -21.867 9.689 1.00 . A A . 2 PRO CA 1 1 11 1759 1 1 2 PRO CB C -1.155 -21.848 8.725 1.00 . A A . 2 PRO CB 1 1 11 1760 1 1 2 PRO CD C -1.826 -20.774 10.813 1.00 . A A . 2 PRO CD 1 1 11 1761 1 1 2 PRO CG C -2.206 -20.975 9.348 1.00 . A A . 2 PRO CG 1 1 11 1762 1 1 2 PRO HA H 0.208 -22.875 10.032 1.00 . A A . 2 PRO HA 1 1 11 1763 1 1 2 PRO HB2 H -0.853 -21.440 7.770 1.00 . A A . 2 PRO HB2 1 1 11 1764 1 1 2 PRO HB3 H -1.541 -22.848 8.595 1.00 . A A . 2 PRO HB3 1 1 11 1765 1 1 2 PRO HD2 H -2.055 -19.765 11.128 1.00 . A A . 2 PRO HD2 1 1 11 1766 1 1 2 PRO HD3 H -2.326 -21.495 11.440 1.00 . A A . 2 PRO HD3 1 1 11 1767 1 1 2 PRO HG2 H -2.239 -20.023 8.839 1.00 . A A . 2 PRO HG2 1 1 11 1768 1 1 2 PRO HG3 H -3.169 -21.460 9.288 1.00 . A A . 2 PRO HG3 1 1 11 1769 1 1 2 PRO N N -0.383 -21.006 10.825 1.00 . A A . 2 PRO N 1 1 11 1770 1 1 2 PRO O O 1.647 -20.161 9.155 1.00 . A A . 2 PRO O 1 1 11 1771 1 1 3 PRO C C 3.066 -20.438 6.831 1.00 . A A . 3 PRO C 1 1 11 1772 1 1 3 PRO CA C 3.210 -21.784 7.536 1.00 . A A . 3 PRO CA 1 1 11 1773 1 1 3 PRO CB C 3.423 -22.916 6.518 1.00 . A A . 3 PRO CB 1 1 11 1774 1 1 3 PRO CD C 1.625 -23.569 8.036 1.00 . A A . 3 PRO CD 1 1 11 1775 1 1 3 PRO CG C 2.299 -23.892 6.704 1.00 . A A . 3 PRO CG 1 1 11 1776 1 1 3 PRO HA H 4.044 -21.757 8.217 1.00 . A A . 3 PRO HA 1 1 11 1777 1 1 3 PRO HB2 H 3.404 -22.516 5.513 1.00 . A A . 3 PRO HB2 1 1 11 1778 1 1 3 PRO HB3 H 4.367 -23.406 6.702 1.00 . A A . 3 PRO HB3 1 1 11 1779 1 1 3 PRO HD2 H 0.554 -23.691 7.958 1.00 . A A . 3 PRO HD2 1 1 11 1780 1 1 3 PRO HD3 H 2.026 -24.186 8.826 1.00 . A A . 3 PRO HD3 1 1 11 1781 1 1 3 PRO HG2 H 1.588 -23.792 5.896 1.00 . A A . 3 PRO HG2 1 1 11 1782 1 1 3 PRO HG3 H 2.687 -24.898 6.730 1.00 . A A . 3 PRO HG3 1 1 11 1783 1 1 3 PRO N N 1.971 -22.167 8.263 1.00 . A A . 3 PRO N 1 1 11 1784 1 1 3 PRO O O 2.555 -20.362 5.714 1.00 . A A . 3 PRO O 1 1 11 1785 1 1 4 THR C C 4.666 -17.212 7.340 1.00 . A A . 4 THR C 1 1 11 1786 1 1 4 THR CA C 3.459 -18.042 6.914 1.00 . A A . 4 THR CA 1 1 11 1787 1 1 4 THR CB C 2.174 -17.341 7.361 1.00 . A A . 4 THR CB 1 1 11 1788 1 1 4 THR CG2 C 0.957 -18.119 6.856 1.00 . A A . 4 THR CG2 1 1 11 1789 1 1 4 THR H H 3.912 -19.501 8.383 1.00 . A A . 4 THR H 1 1 11 1790 1 1 4 THR HA H 3.453 -18.125 5.838 1.00 . A A . 4 THR HA 1 1 11 1791 1 1 4 THR HB H 2.149 -16.338 6.967 1.00 . A A . 4 THR HB 1 1 11 1792 1 1 4 THR HG21 H 0.101 -17.461 6.814 1.00 . A A . 4 THR HG21 1 1 11 1793 1 1 4 THR HG22 H 0.749 -18.938 7.528 1.00 . A A . 4 THR HG22 1 1 11 1794 1 1 4 THR HG23 H 1.162 -18.507 5.869 1.00 . A A . 4 THR HG23 1 1 11 1795 1 1 4 THR N N 3.524 -19.380 7.492 1.00 . A A . 4 THR N 1 1 11 1796 1 1 4 THR O O 5.433 -17.615 8.213 1.00 . A A . 4 THR O 1 1 11 1797 1 1 4 THR OG1 O 2.142 -17.314 8.772 1.00 . A A . 4 THR OG1 1 1 11 1798 1 1 5 THR C C 5.460 -13.725 7.177 1.00 . A A . 5 THR C 1 1 11 1799 1 1 5 THR CA C 5.941 -15.166 7.034 1.00 . A A . 5 THR CA 1 1 11 1800 1 1 5 THR CB C 7.010 -15.259 5.941 1.00 . A A . 5 THR CB 1 1 11 1801 1 1 5 THR CG2 C 7.381 -16.724 5.703 1.00 . A A . 5 THR CG2 1 1 11 1802 1 1 5 THR H H 4.181 -15.781 6.028 1.00 . A A . 5 THR H 1 1 11 1803 1 1 5 THR HA H 6.376 -15.482 7.971 1.00 . A A . 5 THR HA 1 1 11 1804 1 1 5 THR HB H 7.885 -14.708 6.236 1.00 . A A . 5 THR HB 1 1 11 1805 1 1 5 THR HG21 H 7.189 -17.294 6.600 1.00 . A A . 5 THR HG21 1 1 11 1806 1 1 5 THR HG22 H 8.428 -16.793 5.450 1.00 . A A . 5 THR HG22 1 1 11 1807 1 1 5 THR HG23 H 6.788 -17.119 4.892 1.00 . A A . 5 THR HG23 1 1 11 1808 1 1 5 THR N N 4.825 -16.050 6.715 1.00 . A A . 5 THR N 1 1 11 1809 1 1 5 THR O O 4.600 -13.269 6.422 1.00 . A A . 5 THR O 1 1 11 1810 1 1 5 THR OG1 O 6.470 -14.729 4.749 1.00 . A A . 5 THR OG1 1 1 11 1811 1 1 6 THR C C 6.740 -10.674 7.860 1.00 . A A . 6 THR C 1 1 11 1812 1 1 6 THR CA C 5.662 -11.618 8.382 1.00 . A A . 6 THR CA 1 1 11 1813 1 1 6 THR CB C 5.456 -11.381 9.880 1.00 . A A . 6 THR CB 1 1 11 1814 1 1 6 THR CG2 C 4.502 -12.434 10.446 1.00 . A A . 6 THR CG2 1 1 11 1815 1 1 6 THR H H 6.713 -13.430 8.710 1.00 . A A . 6 THR H 1 1 11 1816 1 1 6 THR HA H 4.736 -11.408 7.868 1.00 . A A . 6 THR HA 1 1 11 1817 1 1 6 THR HB H 5.044 -10.398 10.041 1.00 . A A . 6 THR HB 1 1 11 1818 1 1 6 THR HG21 H 3.747 -12.667 9.710 1.00 . A A . 6 THR HG21 1 1 11 1819 1 1 6 THR HG22 H 4.029 -12.048 11.337 1.00 . A A . 6 THR HG22 1 1 11 1820 1 1 6 THR HG23 H 5.056 -13.328 10.690 1.00 . A A . 6 THR HG23 1 1 11 1821 1 1 6 THR N N 6.029 -13.012 8.146 1.00 . A A . 6 THR N 1 1 11 1822 1 1 6 THR O O 7.889 -11.074 7.669 1.00 . A A . 6 THR O 1 1 11 1823 1 1 6 THR OG1 O 6.703 -11.501 10.530 1.00 . A A . 6 THR OG1 1 1 11 1824 1 1 7 THR C C 7.093 -7.087 7.835 1.00 . A A . 7 THR C 1 1 11 1825 1 1 7 THR CA C 7.304 -8.424 7.132 1.00 . A A . 7 THR CA 1 1 11 1826 1 1 7 THR CB C 7.122 -8.243 5.623 1.00 . A A . 7 THR CB 1 1 11 1827 1 1 7 THR CG2 C 7.347 -9.577 4.908 1.00 . A A . 7 THR CG2 1 1 11 1828 1 1 7 THR H H 5.433 -9.160 7.803 1.00 . A A . 7 THR H 1 1 11 1829 1 1 7 THR HA H 8.311 -8.766 7.323 1.00 . A A . 7 THR HA 1 1 11 1830 1 1 7 THR HB H 7.827 -7.515 5.254 1.00 . A A . 7 THR HB 1 1 11 1831 1 1 7 THR HG21 H 8.082 -10.155 5.447 1.00 . A A . 7 THR HG21 1 1 11 1832 1 1 7 THR HG22 H 7.699 -9.392 3.904 1.00 . A A . 7 THR HG22 1 1 11 1833 1 1 7 THR HG23 H 6.417 -10.124 4.866 1.00 . A A . 7 THR HG23 1 1 11 1834 1 1 7 THR N N 6.363 -9.420 7.632 1.00 . A A . 7 THR N 1 1 11 1835 1 1 7 THR O O 5.978 -6.755 8.238 1.00 . A A . 7 THR O 1 1 11 1836 1 1 7 THR OG1 O 5.801 -7.813 5.376 1.00 . A A . 7 THR OG1 1 1 11 1837 1 1 8 LYS C C 7.299 -5.119 9.929 1.00 . A A . 8 LYS C 1 1 11 1838 1 1 8 LYS CA C 8.095 -5.023 8.631 1.00 . A A . 8 LYS CA 1 1 11 1839 1 1 8 LYS CB C 7.430 -4.008 7.698 1.00 . A A . 8 LYS CB 1 1 11 1840 1 1 8 LYS CD C 9.220 -2.324 7.237 1.00 . A A . 8 LYS CD 1 1 11 1841 1 1 8 LYS CE C 8.863 -1.718 5.879 1.00 . A A . 8 LYS CE 1 1 11 1842 1 1 8 LYS CG C 7.938 -2.602 8.025 1.00 . A A . 8 LYS CG 1 1 11 1843 1 1 8 LYS H H 9.033 -6.639 7.633 1.00 . A A . 8 LYS H 1 1 11 1844 1 1 8 LYS HA H 9.096 -4.684 8.857 1.00 . A A . 8 LYS HA 1 1 11 1845 1 1 8 LYS HB2 H 7.674 -4.250 6.673 1.00 . A A . 8 LYS HB2 1 1 11 1846 1 1 8 LYS HB3 H 6.360 -4.042 7.832 1.00 . A A . 8 LYS HB3 1 1 11 1847 1 1 8 LYS HD2 H 9.840 -1.633 7.790 1.00 . A A . 8 LYS HD2 1 1 11 1848 1 1 8 LYS HD3 H 9.757 -3.248 7.086 1.00 . A A . 8 LYS HD3 1 1 11 1849 1 1 8 LYS HE2 H 8.104 -2.322 5.404 1.00 . A A . 8 LYS HE2 1 1 11 1850 1 1 8 LYS HE3 H 8.490 -0.715 6.019 1.00 . A A . 8 LYS HE3 1 1 11 1851 1 1 8 LYS HG2 H 7.184 -1.876 7.756 1.00 . A A . 8 LYS HG2 1 1 11 1852 1 1 8 LYS HG3 H 8.145 -2.531 9.082 1.00 . A A . 8 LYS HG3 1 1 11 1853 1 1 8 LYS HZ1 H 10.657 -2.525 5.195 1.00 . A A . 8 LYS HZ1 1 1 11 1854 1 1 8 LYS HZ2 H 10.633 -0.827 5.239 1.00 . A A . 8 LYS HZ2 1 1 11 1855 1 1 8 LYS HZ3 H 9.796 -1.659 4.018 1.00 . A A . 8 LYS HZ3 1 1 11 1856 1 1 8 LYS N N 8.171 -6.323 7.977 1.00 . A A . 8 LYS N 1 1 11 1857 1 1 8 LYS NZ N 10.079 -1.679 5.018 1.00 . A A . 8 LYS NZ 1 1 11 1858 1 1 8 LYS O O 7.331 -6.142 10.613 1.00 . A A . 8 LYS O 1 1 11 1859 1 1 9 LYS C C 6.293 -5.064 12.475 1.00 . A A . 9 LYS C 1 1 11 1860 1 1 9 LYS CA C 5.786 -4.024 11.481 1.00 . A A . 9 LYS CA 1 1 11 1861 1 1 9 LYS CB C 4.319 -4.305 11.149 1.00 . A A . 9 LYS CB 1 1 11 1862 1 1 9 LYS CD C 1.967 -4.100 11.967 1.00 . A A . 9 LYS CD 1 1 11 1863 1 1 9 LYS CE C 1.360 -4.855 13.150 1.00 . A A . 9 LYS CE 1 1 11 1864 1 1 9 LYS CG C 3.429 -3.765 12.270 1.00 . A A . 9 LYS CG 1 1 11 1865 1 1 9 LYS H H 6.596 -3.261 9.677 1.00 . A A . 9 LYS H 1 1 11 1866 1 1 9 LYS HA H 5.860 -3.046 11.930 1.00 . A A . 9 LYS HA 1 1 11 1867 1 1 9 LYS HB2 H 4.063 -3.819 10.218 1.00 . A A . 9 LYS HB2 1 1 11 1868 1 1 9 LYS HB3 H 4.169 -5.369 11.053 1.00 . A A . 9 LYS HB3 1 1 11 1869 1 1 9 LYS HD2 H 1.416 -3.185 11.801 1.00 . A A . 9 LYS HD2 1 1 11 1870 1 1 9 LYS HD3 H 1.914 -4.717 11.083 1.00 . A A . 9 LYS HD3 1 1 11 1871 1 1 9 LYS HE2 H 0.339 -5.123 12.921 1.00 . A A . 9 LYS HE2 1 1 11 1872 1 1 9 LYS HE3 H 1.934 -5.750 13.338 1.00 . A A . 9 LYS HE3 1 1 11 1873 1 1 9 LYS HG2 H 3.717 -4.220 13.207 1.00 . A A . 9 LYS HG2 1 1 11 1874 1 1 9 LYS HG3 H 3.545 -2.695 12.338 1.00 . A A . 9 LYS HG3 1 1 11 1875 1 1 9 LYS HZ1 H 1.802 -3.065 14.118 1.00 . A A . 9 LYS HZ1 1 1 11 1876 1 1 9 LYS HZ2 H 1.955 -4.442 15.102 1.00 . A A . 9 LYS HZ2 1 1 11 1877 1 1 9 LYS HZ3 H 0.415 -3.843 14.705 1.00 . A A . 9 LYS HZ3 1 1 11 1878 1 1 9 LYS N N 6.586 -4.049 10.262 1.00 . A A . 9 LYS N 1 1 11 1879 1 1 9 LYS NZ N 1.385 -3.986 14.360 1.00 . A A . 9 LYS NZ 1 1 11 1880 1 1 9 LYS O O 5.567 -5.985 12.852 1.00 . A A . 9 LYS O 1 1 11 1881 1 1 10 PRO C C 7.215 -6.201 15.029 1.00 . A A . 10 PRO C 1 1 11 1882 1 1 10 PRO CA C 8.149 -5.867 13.869 1.00 . A A . 10 PRO CA 1 1 11 1883 1 1 10 PRO CB C 9.396 -5.123 14.369 1.00 . A A . 10 PRO CB 1 1 11 1884 1 1 10 PRO CD C 8.441 -3.868 12.505 1.00 . A A . 10 PRO CD 1 1 11 1885 1 1 10 PRO CG C 9.425 -3.795 13.670 1.00 . A A . 10 PRO CG 1 1 11 1886 1 1 10 PRO HA H 8.449 -6.772 13.365 1.00 . A A . 10 PRO HA 1 1 11 1887 1 1 10 PRO HB2 H 9.334 -4.977 15.439 1.00 . A A . 10 PRO HB2 1 1 11 1888 1 1 10 PRO HB3 H 10.284 -5.684 14.124 1.00 . A A . 10 PRO HB3 1 1 11 1889 1 1 10 PRO HD2 H 7.918 -2.927 12.392 1.00 . A A . 10 PRO HD2 1 1 11 1890 1 1 10 PRO HD3 H 8.950 -4.135 11.593 1.00 . A A . 10 PRO HD3 1 1 11 1891 1 1 10 PRO HG2 H 9.129 -3.014 14.357 1.00 . A A . 10 PRO HG2 1 1 11 1892 1 1 10 PRO HG3 H 10.416 -3.599 13.295 1.00 . A A . 10 PRO HG3 1 1 11 1893 1 1 10 PRO N N 7.519 -4.930 12.901 1.00 . A A . 10 PRO N 1 1 11 1894 1 1 10 PRO O O 6.767 -7.340 15.159 1.00 . A A . 10 PRO O 1 1 11 1895 1 1 11 NH2 HN1 H 7.566 -4.943 16.526 1.00 . A A . 11 NH2 HN1 1 1 11 1896 1 1 11 NH2 HN2 H 5.984 -4.917 15.911 1.00 . A A . 11 NH2 HN2 1 1 11 1897 1 1 11 NH2 N N 6.897 -5.270 15.887 1.00 . A A . 11 NH2 N 1 1 11 1898 2 2 1 A2G C1 C 2.208 -16.003 9.286 1.00 . B A . 101 A2G C1 1 1 11 1899 2 2 1 A2G C2 C 2.436 -16.091 10.797 1.00 . B A . 101 A2G C2 1 1 11 1900 2 2 1 A2G C3 C 1.249 -16.811 11.441 1.00 . B A . 101 A2G C3 1 1 11 1901 2 2 1 A2G C4 C -0.051 -16.107 11.045 1.00 . B A . 101 A2G C4 1 1 11 1902 2 2 1 A2G C5 C -0.125 -15.995 9.521 1.00 . B A . 101 A2G C5 1 1 11 1903 2 2 1 A2G C6 C -1.380 -15.214 9.122 1.00 . B A . 101 A2G C6 1 1 11 1904 2 2 1 A2G C7 C 4.664 -16.239 11.748 1.00 . B A . 101 A2G C7 1 1 11 1905 2 2 1 A2G C8 C 5.881 -17.114 12.028 1.00 . B A . 101 A2G C8 1 1 11 1906 2 2 1 A2G H1 H 3.033 -15.474 8.832 1.00 . B A . 101 A2G H1 1 1 11 1907 2 2 1 A2G H14 H -1.754 -15.593 8.181 1.00 . B A . 101 A2G H14 1 1 11 1908 2 2 1 A2G H15 H -2.982 -16.053 9.835 1.00 . B A . 101 A2G H15 1 1 11 1909 2 2 1 A2G H2 H 2.508 -15.094 11.203 1.00 . B A . 101 A2G H2 1 1 11 1910 2 2 1 A2G H3 H 1.221 -17.836 11.102 1.00 . B A . 101 A2G H3 1 1 11 1911 2 2 1 A2G H4 H -0.894 -16.678 11.406 1.00 . B A . 101 A2G H4 1 1 11 1912 2 2 1 A2G H5 H -0.156 -16.982 9.084 1.00 . B A . 101 A2G H5 1 1 11 1913 2 2 1 A2G H6 H -1.134 -14.169 9.017 1.00 . B A . 101 A2G H6 1 1 11 1914 2 2 1 A2G H8 H 5.720 -17.675 12.936 1.00 . B A . 101 A2G H8 1 1 11 1915 2 2 1 A2G H8A H 6.755 -16.490 12.142 1.00 . B A . 101 A2G H8A 1 1 11 1916 2 2 1 A2G H8B H 6.031 -17.797 11.205 1.00 . B A . 101 A2G H8B 1 1 11 1917 2 2 1 A2G HN2 H 3.771 -17.736 10.765 1.00 . B A . 101 A2G HN2 1 1 11 1918 2 2 1 A2G HO3 H 0.513 -16.846 13.240 1.00 . B A . 101 A2G HO3 1 1 11 1919 2 2 1 A2G HO4 H 0.520 -14.801 12.367 1.00 . B A . 101 A2G HO4 1 1 11 1920 2 2 1 A2G N2 N 3.672 -16.812 11.076 1.00 . B A . 101 A2G N2 1 1 11 1921 2 2 1 A2G O O 1.010 -15.294 9.062 1.00 . B A . 101 A2G O 1 1 11 1922 2 2 1 A2G O3 O 1.390 -16.783 12.854 1.00 . B A . 101 A2G O3 1 1 11 1923 2 2 1 A2G O4 O -0.078 -14.807 11.617 1.00 . B A . 101 A2G O4 1 1 11 1924 2 2 1 A2G O6 O -2.372 -15.370 10.124 1.00 . B A . 101 A2G O6 1 1 11 1925 2 2 1 A2G O7 O 4.608 -15.084 12.172 1.00 . B A . 101 A2G O7 1 1 12 1926 1 1 1 ACE C C -1.373 -21.719 7.953 1.00 . A A . 1 ACE C 1 1 12 1927 1 1 1 ACE CH3 C -2.364 -22.501 7.099 1.00 . A A . 1 ACE CH3 1 1 12 1928 1 1 1 ACE H1 H -1.882 -23.383 6.702 1.00 . A A . 1 ACE H1 1 1 12 1929 1 1 1 ACE H2 H -2.704 -21.880 6.282 1.00 . A A . 1 ACE H2 1 1 12 1930 1 1 1 ACE H3 H -3.209 -22.795 7.703 1.00 . A A . 1 ACE H3 1 1 12 1931 1 1 1 ACE O O -0.878 -20.669 7.546 1.00 . A A . 1 ACE O 1 1 12 1932 1 1 2 PRO C C 1.133 -21.080 9.361 1.00 . A A . 2 PRO C 1 1 12 1933 1 1 2 PRO CA C -0.130 -21.565 10.066 1.00 . A A . 2 PRO CA 1 1 12 1934 1 1 2 PRO CB C 0.204 -22.660 11.091 1.00 . A A . 2 PRO CB 1 1 12 1935 1 1 2 PRO CD C -1.621 -23.456 9.678 1.00 . A A . 2 PRO CD 1 1 12 1936 1 1 2 PRO CG C -0.562 -23.886 10.690 1.00 . A A . 2 PRO CG 1 1 12 1937 1 1 2 PRO HA H -0.613 -20.742 10.567 1.00 . A A . 2 PRO HA 1 1 12 1938 1 1 2 PRO HB2 H 1.266 -22.865 11.078 1.00 . A A . 2 PRO HB2 1 1 12 1939 1 1 2 PRO HB3 H -0.099 -22.347 12.078 1.00 . A A . 2 PRO HB3 1 1 12 1940 1 1 2 PRO HD2 H -1.733 -24.205 8.906 1.00 . A A . 2 PRO HD2 1 1 12 1941 1 1 2 PRO HD3 H -2.563 -23.266 10.169 1.00 . A A . 2 PRO HD3 1 1 12 1942 1 1 2 PRO HG2 H 0.109 -24.606 10.241 1.00 . A A . 2 PRO HG2 1 1 12 1943 1 1 2 PRO HG3 H -1.042 -24.319 11.554 1.00 . A A . 2 PRO HG3 1 1 12 1944 1 1 2 PRO N N -1.080 -22.217 9.124 1.00 . A A . 2 PRO N 1 1 12 1945 1 1 2 PRO O O 1.510 -19.913 9.471 1.00 . A A . 2 PRO O 1 1 12 1946 1 1 3 PRO C C 2.930 -20.299 7.162 1.00 . A A . 3 PRO C 1 1 12 1947 1 1 3 PRO CA C 3.035 -21.628 7.906 1.00 . A A . 3 PRO CA 1 1 12 1948 1 1 3 PRO CB C 3.213 -22.793 6.920 1.00 . A A . 3 PRO CB 1 1 12 1949 1 1 3 PRO CD C 1.400 -23.352 8.456 1.00 . A A . 3 PRO CD 1 1 12 1950 1 1 3 PRO CG C 2.059 -23.729 7.131 1.00 . A A . 3 PRO CG 1 1 12 1951 1 1 3 PRO HA H 3.870 -21.605 8.587 1.00 . A A . 3 PRO HA 1 1 12 1952 1 1 3 PRO HB2 H 3.207 -22.420 5.905 1.00 . A A . 3 PRO HB2 1 1 12 1953 1 1 3 PRO HB3 H 4.141 -23.306 7.118 1.00 . A A . 3 PRO HB3 1 1 12 1954 1 1 3 PRO HD2 H 0.324 -23.447 8.384 1.00 . A A . 3 PRO HD2 1 1 12 1955 1 1 3 PRO HD3 H 1.786 -23.957 9.261 1.00 . A A . 3 PRO HD3 1 1 12 1956 1 1 3 PRO HG2 H 1.350 -23.625 6.321 1.00 . A A . 3 PRO HG2 1 1 12 1957 1 1 3 PRO HG3 H 2.416 -24.746 7.183 1.00 . A A . 3 PRO HG3 1 1 12 1958 1 1 3 PRO N N 1.785 -21.953 8.643 1.00 . A A . 3 PRO N 1 1 12 1959 1 1 3 PRO O O 2.489 -20.253 6.013 1.00 . A A . 3 PRO O 1 1 12 1960 1 1 4 THR C C 4.464 -17.048 7.682 1.00 . A A . 4 THR C 1 1 12 1961 1 1 4 THR CA C 3.286 -17.898 7.216 1.00 . A A . 4 THR CA 1 1 12 1962 1 1 4 THR CB C 1.974 -17.202 7.585 1.00 . A A . 4 THR CB 1 1 12 1963 1 1 4 THR CG2 C 0.792 -17.985 7.009 1.00 . A A . 4 THR CG2 1 1 12 1964 1 1 4 THR H H 3.676 -19.319 8.739 1.00 . A A . 4 THR H 1 1 12 1965 1 1 4 THR HA H 3.334 -18.004 6.142 1.00 . A A . 4 THR HA 1 1 12 1966 1 1 4 THR HB H 1.968 -16.199 7.188 1.00 . A A . 4 THR HB 1 1 12 1967 1 1 4 THR HG21 H -0.055 -17.324 6.895 1.00 . A A . 4 THR HG21 1 1 12 1968 1 1 4 THR HG22 H 0.533 -18.790 7.680 1.00 . A A . 4 THR HG22 1 1 12 1969 1 1 4 THR HG23 H 1.065 -18.391 6.046 1.00 . A A . 4 THR HG23 1 1 12 1970 1 1 4 THR N N 3.337 -19.222 7.825 1.00 . A A . 4 THR N 1 1 12 1971 1 1 4 THR O O 4.896 -17.146 8.830 1.00 . A A . 4 THR O 1 1 12 1972 1 1 4 THR OG1 O 1.860 -17.173 8.990 1.00 . A A . 4 THR OG1 1 1 12 1973 1 1 5 THR C C 5.643 -13.911 7.298 1.00 . A A . 5 THR C 1 1 12 1974 1 1 5 THR CA C 6.107 -15.352 7.114 1.00 . A A . 5 THR CA 1 1 12 1975 1 1 5 THR CB C 7.157 -15.415 6.003 1.00 . A A . 5 THR CB 1 1 12 1976 1 1 5 THR CG2 C 7.664 -16.850 5.849 1.00 . A A . 5 THR CG2 1 1 12 1977 1 1 5 THR H H 4.593 -16.180 5.883 1.00 . A A . 5 THR H 1 1 12 1978 1 1 5 THR HA H 6.553 -15.697 8.035 1.00 . A A . 5 THR HA 1 1 12 1979 1 1 5 THR HB H 7.983 -14.765 6.244 1.00 . A A . 5 THR HB 1 1 12 1980 1 1 5 THR HG21 H 8.744 -16.853 5.859 1.00 . A A . 5 THR HG21 1 1 12 1981 1 1 5 THR HG22 H 7.311 -17.259 4.914 1.00 . A A . 5 THR HG22 1 1 12 1982 1 1 5 THR HG23 H 7.296 -17.451 6.667 1.00 . A A . 5 THR HG23 1 1 12 1983 1 1 5 THR N N 4.978 -16.214 6.783 1.00 . A A . 5 THR N 1 1 12 1984 1 1 5 THR O O 4.781 -13.427 6.565 1.00 . A A . 5 THR O 1 1 12 1985 1 1 5 THR OG1 O 6.555 -15.013 4.792 1.00 . A A . 5 THR OG1 1 1 12 1986 1 1 6 THR C C 6.945 -10.896 8.043 1.00 . A A . 6 THR C 1 1 12 1987 1 1 6 THR CA C 5.862 -11.843 8.552 1.00 . A A . 6 THR CA 1 1 12 1988 1 1 6 THR CB C 5.668 -11.637 10.056 1.00 . A A . 6 THR CB 1 1 12 1989 1 1 6 THR CG2 C 4.621 -12.620 10.584 1.00 . A A . 6 THR CG2 1 1 12 1990 1 1 6 THR H H 6.904 -13.666 8.834 1.00 . A A . 6 THR H 1 1 12 1991 1 1 6 THR HA H 4.934 -11.616 8.048 1.00 . A A . 6 THR HA 1 1 12 1992 1 1 6 THR HB H 5.341 -10.627 10.248 1.00 . A A . 6 THR HB 1 1 12 1993 1 1 6 THR HG21 H 4.044 -12.146 11.364 1.00 . A A . 6 THR HG21 1 1 12 1994 1 1 6 THR HG22 H 5.116 -13.493 10.981 1.00 . A A . 6 THR HG22 1 1 12 1995 1 1 6 THR HG23 H 3.965 -12.913 9.778 1.00 . A A . 6 THR HG23 1 1 12 1996 1 1 6 THR N N 6.222 -13.228 8.281 1.00 . A A . 6 THR N 1 1 12 1997 1 1 6 THR O O 8.127 -11.079 8.334 1.00 . A A . 6 THR O 1 1 12 1998 1 1 6 THR OG1 O 6.895 -11.886 10.707 1.00 . A A . 6 THR OG1 1 1 12 1999 1 1 7 THR C C 7.465 -7.636 7.560 1.00 . A A . 7 THR C 1 1 12 2000 1 1 7 THR CA C 7.479 -8.920 6.737 1.00 . A A . 7 THR CA 1 1 12 2001 1 1 7 THR CB C 7.121 -8.601 5.284 1.00 . A A . 7 THR CB 1 1 12 2002 1 1 7 THR CG2 C 7.041 -9.895 4.472 1.00 . A A . 7 THR CG2 1 1 12 2003 1 1 7 THR H H 5.579 -9.793 7.083 1.00 . A A . 7 THR H 1 1 12 2004 1 1 7 THR HA H 8.471 -9.345 6.766 1.00 . A A . 7 THR HA 1 1 12 2005 1 1 7 THR HB H 7.870 -7.954 4.856 1.00 . A A . 7 THR HB 1 1 12 2006 1 1 7 THR HG21 H 7.850 -10.550 4.761 1.00 . A A . 7 THR HG21 1 1 12 2007 1 1 7 THR HG22 H 7.122 -9.666 3.420 1.00 . A A . 7 THR HG22 1 1 12 2008 1 1 7 THR HG23 H 6.097 -10.383 4.663 1.00 . A A . 7 THR HG23 1 1 12 2009 1 1 7 THR N N 6.534 -9.889 7.282 1.00 . A A . 7 THR N 1 1 12 2010 1 1 7 THR O O 6.415 -7.022 7.752 1.00 . A A . 7 THR O 1 1 12 2011 1 1 7 THR OG1 O 5.858 -7.970 5.259 1.00 . A A . 7 THR OG1 1 1 12 2012 1 1 8 LYS C C 7.666 -5.991 9.921 1.00 . A A . 8 LYS C 1 1 12 2013 1 1 8 LYS CA C 8.747 -6.025 8.846 1.00 . A A . 8 LYS CA 1 1 12 2014 1 1 8 LYS CB C 8.616 -4.792 7.950 1.00 . A A . 8 LYS CB 1 1 12 2015 1 1 8 LYS CD C 9.593 -2.556 7.412 1.00 . A A . 8 LYS CD 1 1 12 2016 1 1 8 LYS CE C 10.610 -1.513 7.879 1.00 . A A . 8 LYS CE 1 1 12 2017 1 1 8 LYS CG C 9.803 -3.857 8.189 1.00 . A A . 8 LYS CG 1 1 12 2018 1 1 8 LYS H H 9.440 -7.768 7.860 1.00 . A A . 8 LYS H 1 1 12 2019 1 1 8 LYS HA H 9.715 -6.006 9.323 1.00 . A A . 8 LYS HA 1 1 12 2020 1 1 8 LYS HB2 H 8.602 -5.101 6.914 1.00 . A A . 8 LYS HB2 1 1 12 2021 1 1 8 LYS HB3 H 7.699 -4.273 8.183 1.00 . A A . 8 LYS HB3 1 1 12 2022 1 1 8 LYS HD2 H 9.725 -2.742 6.356 1.00 . A A . 8 LYS HD2 1 1 12 2023 1 1 8 LYS HD3 H 8.594 -2.187 7.591 1.00 . A A . 8 LYS HD3 1 1 12 2024 1 1 8 LYS HE2 H 10.402 -0.567 7.400 1.00 . A A . 8 LYS HE2 1 1 12 2025 1 1 8 LYS HE3 H 10.542 -1.397 8.951 1.00 . A A . 8 LYS HE3 1 1 12 2026 1 1 8 LYS HG2 H 9.883 -3.639 9.244 1.00 . A A . 8 LYS HG2 1 1 12 2027 1 1 8 LYS HG3 H 10.710 -4.333 7.850 1.00 . A A . 8 LYS HG3 1 1 12 2028 1 1 8 LYS HZ1 H 12.488 -1.185 7.042 1.00 . A A . 8 LYS HZ1 1 1 12 2029 1 1 8 LYS HZ2 H 11.922 -2.779 6.873 1.00 . A A . 8 LYS HZ2 1 1 12 2030 1 1 8 LYS HZ3 H 12.500 -2.233 8.375 1.00 . A A . 8 LYS HZ3 1 1 12 2031 1 1 8 LYS N N 8.636 -7.238 8.045 1.00 . A A . 8 LYS N 1 1 12 2032 1 1 8 LYS NZ N 11.984 -1.961 7.515 1.00 . A A . 8 LYS NZ 1 1 12 2033 1 1 8 LYS O O 6.886 -6.934 10.060 1.00 . A A . 8 LYS O 1 1 12 2034 1 1 9 LYS C C 6.751 -3.387 12.400 1.00 . A A . 9 LYS C 1 1 12 2035 1 1 9 LYS CA C 6.633 -4.757 11.740 1.00 . A A . 9 LYS CA 1 1 12 2036 1 1 9 LYS CB C 6.831 -5.850 12.791 1.00 . A A . 9 LYS CB 1 1 12 2037 1 1 9 LYS CD C 4.451 -5.599 13.511 1.00 . A A . 9 LYS CD 1 1 12 2038 1 1 9 LYS CE C 3.609 -6.258 14.606 1.00 . A A . 9 LYS CE 1 1 12 2039 1 1 9 LYS CG C 5.509 -6.586 13.016 1.00 . A A . 9 LYS CG 1 1 12 2040 1 1 9 LYS H H 8.272 -4.181 10.523 1.00 . A A . 9 LYS H 1 1 12 2041 1 1 9 LYS HA H 5.647 -4.857 11.313 1.00 . A A . 9 LYS HA 1 1 12 2042 1 1 9 LYS HB2 H 7.579 -6.549 12.447 1.00 . A A . 9 LYS HB2 1 1 12 2043 1 1 9 LYS HB3 H 7.154 -5.403 13.719 1.00 . A A . 9 LYS HB3 1 1 12 2044 1 1 9 LYS HD2 H 4.938 -4.721 13.910 1.00 . A A . 9 LYS HD2 1 1 12 2045 1 1 9 LYS HD3 H 3.811 -5.314 12.690 1.00 . A A . 9 LYS HD3 1 1 12 2046 1 1 9 LYS HE2 H 4.241 -6.512 15.443 1.00 . A A . 9 LYS HE2 1 1 12 2047 1 1 9 LYS HE3 H 2.840 -5.573 14.930 1.00 . A A . 9 LYS HE3 1 1 12 2048 1 1 9 LYS HG2 H 5.182 -7.030 12.087 1.00 . A A . 9 LYS HG2 1 1 12 2049 1 1 9 LYS HG3 H 5.650 -7.361 13.754 1.00 . A A . 9 LYS HG3 1 1 12 2050 1 1 9 LYS HZ1 H 2.518 -8.016 14.842 1.00 . A A . 9 LYS HZ1 1 1 12 2051 1 1 9 LYS HZ2 H 3.707 -8.095 13.630 1.00 . A A . 9 LYS HZ2 1 1 12 2052 1 1 9 LYS HZ3 H 2.264 -7.241 13.355 1.00 . A A . 9 LYS HZ3 1 1 12 2053 1 1 9 LYS N N 7.624 -4.901 10.679 1.00 . A A . 9 LYS N 1 1 12 2054 1 1 9 LYS NZ N 2.977 -7.496 14.067 1.00 . A A . 9 LYS NZ 1 1 12 2055 1 1 9 LYS O O 6.749 -3.273 13.625 1.00 . A A . 9 LYS O 1 1 12 2056 1 1 10 PRO C C 5.993 -0.668 13.238 1.00 . A A . 10 PRO C 1 1 12 2057 1 1 10 PRO CA C 6.975 -0.958 12.108 1.00 . A A . 10 PRO CA 1 1 12 2058 1 1 10 PRO CB C 6.669 -0.083 10.881 1.00 . A A . 10 PRO CB 1 1 12 2059 1 1 10 PRO CD C 6.863 -2.404 10.147 1.00 . A A . 10 PRO CD 1 1 12 2060 1 1 10 PRO CG C 6.382 -1.014 9.739 1.00 . A A . 10 PRO CG 1 1 12 2061 1 1 10 PRO HA H 7.984 -0.770 12.436 1.00 . A A . 10 PRO HA 1 1 12 2062 1 1 10 PRO HB2 H 5.806 0.538 11.079 1.00 . A A . 10 PRO HB2 1 1 12 2063 1 1 10 PRO HB3 H 7.522 0.532 10.644 1.00 . A A . 10 PRO HB3 1 1 12 2064 1 1 10 PRO HD2 H 6.181 -3.163 9.785 1.00 . A A . 10 PRO HD2 1 1 12 2065 1 1 10 PRO HD3 H 7.862 -2.583 9.785 1.00 . A A . 10 PRO HD3 1 1 12 2066 1 1 10 PRO HG2 H 5.318 -1.033 9.541 1.00 . A A . 10 PRO HG2 1 1 12 2067 1 1 10 PRO HG3 H 6.914 -0.691 8.858 1.00 . A A . 10 PRO HG3 1 1 12 2068 1 1 10 PRO N N 6.852 -2.355 11.608 1.00 . A A . 10 PRO N 1 1 12 2069 1 1 10 PRO O O 6.396 -0.547 14.396 1.00 . A A . 10 PRO O 1 1 12 2070 1 1 11 NH2 HN1 H 4.127 -1.324 13.060 1.00 . A A . 11 NH2 HN1 1 1 12 2071 1 1 11 NH2 HN2 H 4.359 0.315 12.685 1.00 . A A . 11 NH2 HN2 1 1 12 2072 1 1 11 NH2 N N 4.721 -0.549 12.972 1.00 . A A . 11 NH2 N 1 1 12 2073 2 2 1 A2G C1 C 1.901 -15.861 9.508 1.00 . B A . 101 A2G C1 1 1 12 2074 2 2 1 A2G C2 C 2.020 -15.952 11.030 1.00 . B A . 101 A2G C2 1 1 12 2075 2 2 1 A2G C3 C 0.783 -16.660 11.589 1.00 . B A . 101 A2G C3 1 1 12 2076 2 2 1 A2G C4 C -0.478 -15.943 11.101 1.00 . B A . 101 A2G C4 1 1 12 2077 2 2 1 A2G C5 C -0.443 -15.832 9.575 1.00 . B A . 101 A2G C5 1 1 12 2078 2 2 1 A2G C6 C -1.657 -15.040 9.088 1.00 . B A . 101 A2G C6 1 1 12 2079 2 2 1 A2G C7 C 4.180 -16.115 12.125 1.00 . B A . 101 A2G C7 1 1 12 2080 2 2 1 A2G C8 C 5.408 -16.972 12.413 1.00 . B A . 101 A2G C8 1 1 12 2081 2 2 1 A2G H1 H 2.761 -15.341 9.114 1.00 . B A . 101 A2G H1 1 1 12 2082 2 2 1 A2G H14 H -1.919 -15.360 8.089 1.00 . B A . 101 A2G H14 1 1 12 2083 2 2 1 A2G H15 H -2.489 -15.007 10.845 1.00 . B A . 101 A2G H15 1 1 12 2084 2 2 1 A2G H2 H 2.073 -14.954 11.440 1.00 . B A . 101 A2G H2 1 1 12 2085 2 2 1 A2G H3 H 0.770 -17.684 11.248 1.00 . B A . 101 A2G H3 1 1 12 2086 2 2 1 A2G H4 H -1.350 -16.506 11.401 1.00 . B A . 101 A2G H4 1 1 12 2087 2 2 1 A2G H5 H -0.452 -16.819 9.137 1.00 . B A . 101 A2G H5 1 1 12 2088 2 2 1 A2G H6 H -1.420 -13.986 9.077 1.00 . B A . 101 A2G H6 1 1 12 2089 2 2 1 A2G H8 H 5.105 -17.881 12.911 1.00 . B A . 101 A2G H8 1 1 12 2090 2 2 1 A2G H8A H 6.089 -16.424 13.047 1.00 . B A . 101 A2G H8A 1 1 12 2091 2 2 1 A2G H8B H 5.901 -17.219 11.484 1.00 . B A . 101 A2G H8B 1 1 12 2092 2 2 1 A2G HN2 H 3.333 -17.613 11.102 1.00 . B A . 101 A2G HN2 1 1 12 2093 2 2 1 A2G HO3 H 0.726 -17.534 13.324 1.00 . B A . 101 A2G HO3 1 1 12 2094 2 2 1 A2G HO4 H -1.456 -14.374 11.702 1.00 . B A . 101 A2G HO4 1 1 12 2095 2 2 1 A2G N2 N 3.226 -16.685 11.397 1.00 . B A . 101 A2G N2 1 1 12 2096 2 2 1 A2G O O 0.727 -15.143 9.199 1.00 . B A . 101 A2G O 1 1 12 2097 2 2 1 A2G O3 O 0.823 -16.632 13.007 1.00 . B A . 101 A2G O3 1 1 12 2098 2 2 1 A2G O4 O -0.535 -14.644 11.669 1.00 . B A . 101 A2G O4 1 1 12 2099 2 2 1 A2G O6 O -2.755 -15.269 9.960 1.00 . B A . 101 A2G O6 1 1 12 2100 2 2 1 A2G O7 O 4.113 -14.955 12.531 1.00 . B A . 101 A2G O7 1 1 13 2101 1 1 1 ACE C C -0.052 -21.212 10.860 1.00 . A A . 1 ACE C 1 1 13 2102 1 1 1 ACE CH3 C -0.833 -20.456 11.930 1.00 . A A . 1 ACE CH3 1 1 13 2103 1 1 1 ACE H1 H -1.117 -19.485 11.550 1.00 . A A . 1 ACE H1 1 1 13 2104 1 1 1 ACE H2 H -0.217 -20.334 12.807 1.00 . A A . 1 ACE H2 1 1 13 2105 1 1 1 ACE H3 H -1.721 -21.013 12.188 1.00 . A A . 1 ACE H3 1 1 13 2106 1 1 1 ACE O O 1.162 -21.383 10.968 1.00 . A A . 1 ACE O 1 1 13 2107 1 1 2 PRO C C 1.218 -21.803 8.274 1.00 . A A . 2 PRO C 1 1 13 2108 1 1 2 PRO CA C -0.105 -22.421 8.721 1.00 . A A . 2 PRO CA 1 1 13 2109 1 1 2 PRO CB C -1.147 -22.357 7.591 1.00 . A A . 2 PRO CB 1 1 13 2110 1 1 2 PRO CD C -2.164 -21.495 9.633 1.00 . A A . 2 PRO CD 1 1 13 2111 1 1 2 PRO CG C -2.310 -21.567 8.115 1.00 . A A . 2 PRO CG 1 1 13 2112 1 1 2 PRO HA H 0.046 -23.447 9.010 1.00 . A A . 2 PRO HA 1 1 13 2113 1 1 2 PRO HB2 H -0.723 -21.865 6.727 1.00 . A A . 2 PRO HB2 1 1 13 2114 1 1 2 PRO HB3 H -1.470 -23.352 7.329 1.00 . A A . 2 PRO HB3 1 1 13 2115 1 1 2 PRO HD2 H -2.497 -20.534 10.002 1.00 . A A . 2 PRO HD2 1 1 13 2116 1 1 2 PRO HD3 H -2.706 -22.297 10.108 1.00 . A A . 2 PRO HD3 1 1 13 2117 1 1 2 PRO HG2 H -2.297 -20.570 7.693 1.00 . A A . 2 PRO HG2 1 1 13 2118 1 1 2 PRO HG3 H -3.235 -22.061 7.864 1.00 . A A . 2 PRO HG3 1 1 13 2119 1 1 2 PRO N N -0.728 -21.661 9.839 1.00 . A A . 2 PRO N 1 1 13 2120 1 1 2 PRO O O 1.509 -20.645 8.575 1.00 . A A . 2 PRO O 1 1 13 2121 1 1 3 PRO C C 3.242 -20.702 6.427 1.00 . A A . 3 PRO C 1 1 13 2122 1 1 3 PRO CA C 3.334 -22.087 7.062 1.00 . A A . 3 PRO CA 1 1 13 2123 1 1 3 PRO CB C 3.746 -23.136 6.017 1.00 . A A . 3 PRO CB 1 1 13 2124 1 1 3 PRO CD C 1.745 -23.938 7.172 1.00 . A A . 3 PRO CD 1 1 13 2125 1 1 3 PRO CG C 2.647 -24.156 5.959 1.00 . A A . 3 PRO CG 1 1 13 2126 1 1 3 PRO HA H 4.055 -22.079 7.863 1.00 . A A . 3 PRO HA 1 1 13 2127 1 1 3 PRO HB2 H 3.864 -22.665 5.051 1.00 . A A . 3 PRO HB2 1 1 13 2128 1 1 3 PRO HB3 H 4.668 -23.608 6.314 1.00 . A A . 3 PRO HB3 1 1 13 2129 1 1 3 PRO HD2 H 0.706 -24.062 6.896 1.00 . A A . 3 PRO HD2 1 1 13 2130 1 1 3 PRO HD3 H 2.010 -24.614 7.969 1.00 . A A . 3 PRO HD3 1 1 13 2131 1 1 3 PRO HG2 H 2.079 -24.031 5.048 1.00 . A A . 3 PRO HG2 1 1 13 2132 1 1 3 PRO HG3 H 3.068 -25.149 5.996 1.00 . A A . 3 PRO HG3 1 1 13 2133 1 1 3 PRO N N 2.015 -22.555 7.566 1.00 . A A . 3 PRO N 1 1 13 2134 1 1 3 PRO O O 2.847 -20.566 5.270 1.00 . A A . 3 PRO O 1 1 13 2135 1 1 4 THR C C 4.721 -17.492 7.271 1.00 . A A . 4 THR C 1 1 13 2136 1 1 4 THR CA C 3.575 -18.311 6.686 1.00 . A A . 4 THR CA 1 1 13 2137 1 1 4 THR CB C 2.243 -17.650 7.052 1.00 . A A . 4 THR CB 1 1 13 2138 1 1 4 THR CG2 C 1.094 -18.379 6.354 1.00 . A A . 4 THR CG2 1 1 13 2139 1 1 4 THR H H 3.911 -19.846 8.109 1.00 . A A . 4 THR H 1 1 13 2140 1 1 4 THR HA H 3.670 -18.330 5.611 1.00 . A A . 4 THR HA 1 1 13 2141 1 1 4 THR HB H 2.255 -16.621 6.745 1.00 . A A . 4 THR HB 1 1 13 2142 1 1 4 THR HG21 H 1.421 -18.714 5.381 1.00 . A A . 4 THR HG21 1 1 13 2143 1 1 4 THR HG22 H 0.257 -17.707 6.241 1.00 . A A . 4 THR HG22 1 1 13 2144 1 1 4 THR HG23 H 0.796 -19.231 6.946 1.00 . A A . 4 THR HG23 1 1 13 2145 1 1 4 THR N N 3.611 -19.679 7.192 1.00 . A A . 4 THR N 1 1 13 2146 1 1 4 THR O O 5.188 -17.762 8.377 1.00 . A A . 4 THR O 1 1 13 2147 1 1 4 THR OG1 O 2.057 -17.743 8.448 1.00 . A A . 4 THR OG1 1 1 13 2148 1 1 5 THR C C 5.724 -14.272 7.427 1.00 . A A . 5 THR C 1 1 13 2149 1 1 5 THR CA C 6.254 -15.632 6.983 1.00 . A A . 5 THR CA 1 1 13 2150 1 1 5 THR CB C 7.281 -15.442 5.863 1.00 . A A . 5 THR CB 1 1 13 2151 1 1 5 THR CG2 C 7.848 -16.800 5.447 1.00 . A A . 5 THR CG2 1 1 13 2152 1 1 5 THR H H 4.750 -16.312 5.654 1.00 . A A . 5 THR H 1 1 13 2153 1 1 5 THR HA H 6.741 -16.107 7.821 1.00 . A A . 5 THR HA 1 1 13 2154 1 1 5 THR HB H 8.082 -14.805 6.205 1.00 . A A . 5 THR HB 1 1 13 2155 1 1 5 THR HG21 H 7.520 -17.555 6.146 1.00 . A A . 5 THR HG21 1 1 13 2156 1 1 5 THR HG22 H 8.927 -16.755 5.448 1.00 . A A . 5 THR HG22 1 1 13 2157 1 1 5 THR HG23 H 7.498 -17.049 4.456 1.00 . A A . 5 THR HG23 1 1 13 2158 1 1 5 THR N N 5.165 -16.486 6.524 1.00 . A A . 5 THR N 1 1 13 2159 1 1 5 THR O O 4.819 -13.715 6.805 1.00 . A A . 5 THR O 1 1 13 2160 1 1 5 THR OG1 O 6.632 -14.861 4.753 1.00 . A A . 5 THR OG1 1 1 13 2161 1 1 6 THR C C 6.888 -11.365 8.657 1.00 . A A . 6 THR C 1 1 13 2162 1 1 6 THR CA C 5.871 -12.443 9.022 1.00 . A A . 6 THR CA 1 1 13 2163 1 1 6 THR CB C 5.713 -12.509 10.554 1.00 . A A . 6 THR CB 1 1 13 2164 1 1 6 THR CG2 C 4.823 -13.695 10.940 1.00 . A A . 6 THR CG2 1 1 13 2165 1 1 6 THR H H 7.012 -14.230 8.959 1.00 . A A . 6 THR H 1 1 13 2166 1 1 6 THR HA H 4.919 -12.187 8.582 1.00 . A A . 6 THR HA 1 1 13 2167 1 1 6 THR HB H 5.269 -11.593 10.919 1.00 . A A . 6 THR HB 1 1 13 2168 1 1 6 THR HG21 H 4.332 -13.487 11.879 1.00 . A A . 6 THR HG21 1 1 13 2169 1 1 6 THR HG22 H 5.429 -14.584 11.039 1.00 . A A . 6 THR HG22 1 1 13 2170 1 1 6 THR HG23 H 4.079 -13.851 10.172 1.00 . A A . 6 THR HG23 1 1 13 2171 1 1 6 THR N N 6.294 -13.741 8.504 1.00 . A A . 6 THR N 1 1 13 2172 1 1 6 THR O O 8.083 -11.526 8.885 1.00 . A A . 6 THR O 1 1 13 2173 1 1 6 THR OG1 O 6.988 -12.694 11.128 1.00 . A A . 6 THR OG1 1 1 13 2174 1 1 7 THR C C 7.265 -8.058 8.744 1.00 . A A . 7 THR C 1 1 13 2175 1 1 7 THR CA C 7.303 -9.179 7.709 1.00 . A A . 7 THR CA 1 1 13 2176 1 1 7 THR CB C 6.894 -8.631 6.338 1.00 . A A . 7 THR CB 1 1 13 2177 1 1 7 THR CG2 C 6.981 -9.740 5.289 1.00 . A A . 7 THR CG2 1 1 13 2178 1 1 7 THR H H 5.446 -10.181 7.932 1.00 . A A . 7 THR H 1 1 13 2179 1 1 7 THR HA H 8.310 -9.561 7.644 1.00 . A A . 7 THR HA 1 1 13 2180 1 1 7 THR HB H 7.549 -7.821 6.059 1.00 . A A . 7 THR HB 1 1 13 2181 1 1 7 THR HG21 H 6.093 -10.352 5.339 1.00 . A A . 7 THR HG21 1 1 13 2182 1 1 7 THR HG22 H 7.850 -10.351 5.483 1.00 . A A . 7 THR HG22 1 1 13 2183 1 1 7 THR HG23 H 7.061 -9.301 4.307 1.00 . A A . 7 THR HG23 1 1 13 2184 1 1 7 THR N N 6.410 -10.264 8.092 1.00 . A A . 7 THR N 1 1 13 2185 1 1 7 THR O O 6.270 -7.883 9.449 1.00 . A A . 7 THR O 1 1 13 2186 1 1 7 THR OG1 O 5.557 -8.177 6.413 1.00 . A A . 7 THR OG1 1 1 13 2187 1 1 8 LYS C C 7.720 -4.970 9.231 1.00 . A A . 8 LYS C 1 1 13 2188 1 1 8 LYS CA C 8.437 -6.199 9.778 1.00 . A A . 8 LYS CA 1 1 13 2189 1 1 8 LYS CB C 9.902 -5.857 10.056 1.00 . A A . 8 LYS CB 1 1 13 2190 1 1 8 LYS CD C 9.671 -5.493 12.518 1.00 . A A . 8 LYS CD 1 1 13 2191 1 1 8 LYS CE C 9.032 -6.371 13.595 1.00 . A A . 8 LYS CE 1 1 13 2192 1 1 8 LYS CG C 10.296 -6.381 11.440 1.00 . A A . 8 LYS CG 1 1 13 2193 1 1 8 LYS H H 9.116 -7.489 8.239 1.00 . A A . 8 LYS H 1 1 13 2194 1 1 8 LYS HA H 7.967 -6.497 10.704 1.00 . A A . 8 LYS HA 1 1 13 2195 1 1 8 LYS HB2 H 10.528 -6.317 9.305 1.00 . A A . 8 LYS HB2 1 1 13 2196 1 1 8 LYS HB3 H 10.034 -4.787 10.029 1.00 . A A . 8 LYS HB3 1 1 13 2197 1 1 8 LYS HD2 H 10.438 -4.875 12.963 1.00 . A A . 8 LYS HD2 1 1 13 2198 1 1 8 LYS HD3 H 8.915 -4.864 12.073 1.00 . A A . 8 LYS HD3 1 1 13 2199 1 1 8 LYS HE2 H 9.724 -7.150 13.881 1.00 . A A . 8 LYS HE2 1 1 13 2200 1 1 8 LYS HE3 H 8.795 -5.766 14.458 1.00 . A A . 8 LYS HE3 1 1 13 2201 1 1 8 LYS HG2 H 9.940 -7.394 11.555 1.00 . A A . 8 LYS HG2 1 1 13 2202 1 1 8 LYS HG3 H 11.371 -6.362 11.539 1.00 . A A . 8 LYS HG3 1 1 13 2203 1 1 8 LYS HZ1 H 7.376 -7.619 13.774 1.00 . A A . 8 LYS HZ1 1 1 13 2204 1 1 8 LYS HZ2 H 8.006 -7.525 12.200 1.00 . A A . 8 LYS HZ2 1 1 13 2205 1 1 8 LYS HZ3 H 7.099 -6.235 12.834 1.00 . A A . 8 LYS HZ3 1 1 13 2206 1 1 8 LYS N N 8.355 -7.302 8.828 1.00 . A A . 8 LYS N 1 1 13 2207 1 1 8 LYS NZ N 7.784 -6.983 13.060 1.00 . A A . 8 LYS NZ 1 1 13 2208 1 1 8 LYS O O 7.977 -4.538 8.107 1.00 . A A . 8 LYS O 1 1 13 2209 1 1 9 LYS C C 7.006 -2.052 9.400 1.00 . A A . 9 LYS C 1 1 13 2210 1 1 9 LYS CA C 6.066 -3.234 9.620 1.00 . A A . 9 LYS CA 1 1 13 2211 1 1 9 LYS CB C 5.031 -2.873 10.686 1.00 . A A . 9 LYS CB 1 1 13 2212 1 1 9 LYS CD C 4.408 -1.206 12.441 1.00 . A A . 9 LYS CD 1 1 13 2213 1 1 9 LYS CE C 3.181 -0.492 11.873 1.00 . A A . 9 LYS CE 1 1 13 2214 1 1 9 LYS CG C 5.386 -1.521 11.308 1.00 . A A . 9 LYS CG 1 1 13 2215 1 1 9 LYS H H 6.654 -4.803 10.917 1.00 . A A . 9 LYS H 1 1 13 2216 1 1 9 LYS HA H 5.554 -3.450 8.695 1.00 . A A . 9 LYS HA 1 1 13 2217 1 1 9 LYS HB2 H 4.052 -2.816 10.232 1.00 . A A . 9 LYS HB2 1 1 13 2218 1 1 9 LYS HB3 H 5.028 -3.630 11.455 1.00 . A A . 9 LYS HB3 1 1 13 2219 1 1 9 LYS HD2 H 4.101 -2.127 12.918 1.00 . A A . 9 LYS HD2 1 1 13 2220 1 1 9 LYS HD3 H 4.889 -0.569 13.166 1.00 . A A . 9 LYS HD3 1 1 13 2221 1 1 9 LYS HE2 H 2.710 -1.119 11.130 1.00 . A A . 9 LYS HE2 1 1 13 2222 1 1 9 LYS HE3 H 2.480 -0.291 12.670 1.00 . A A . 9 LYS HE3 1 1 13 2223 1 1 9 LYS HG2 H 6.393 -1.558 11.700 1.00 . A A . 9 LYS HG2 1 1 13 2224 1 1 9 LYS HG3 H 5.322 -0.750 10.555 1.00 . A A . 9 LYS HG3 1 1 13 2225 1 1 9 LYS HZ1 H 2.760 1.369 11.038 1.00 . A A . 9 LYS HZ1 1 1 13 2226 1 1 9 LYS HZ2 H 4.112 0.595 10.361 1.00 . A A . 9 LYS HZ2 1 1 13 2227 1 1 9 LYS HZ3 H 4.222 1.312 11.897 1.00 . A A . 9 LYS HZ3 1 1 13 2228 1 1 9 LYS N N 6.818 -4.413 10.033 1.00 . A A . 9 LYS N 1 1 13 2229 1 1 9 LYS NZ N 3.601 0.793 11.245 1.00 . A A . 9 LYS NZ 1 1 13 2230 1 1 9 LYS O O 8.092 -1.994 9.976 1.00 . A A . 9 LYS O 1 1 13 2231 1 1 10 PRO C C 8.034 0.704 9.521 1.00 . A A . 10 PRO C 1 1 13 2232 1 1 10 PRO CA C 7.418 0.087 8.267 1.00 . A A . 10 PRO CA 1 1 13 2233 1 1 10 PRO CB C 6.424 1.061 7.612 1.00 . A A . 10 PRO CB 1 1 13 2234 1 1 10 PRO CD C 5.330 -1.108 7.866 1.00 . A A . 10 PRO CD 1 1 13 2235 1 1 10 PRO CG C 5.091 0.373 7.584 1.00 . A A . 10 PRO CG 1 1 13 2236 1 1 10 PRO HA H 8.191 -0.164 7.560 1.00 . A A . 10 PRO HA 1 1 13 2237 1 1 10 PRO HB2 H 6.362 1.970 8.194 1.00 . A A . 10 PRO HB2 1 1 13 2238 1 1 10 PRO HB3 H 6.741 1.287 6.605 1.00 . A A . 10 PRO HB3 1 1 13 2239 1 1 10 PRO HD2 H 4.539 -1.508 8.486 1.00 . A A . 10 PRO HD2 1 1 13 2240 1 1 10 PRO HD3 H 5.413 -1.663 6.946 1.00 . A A . 10 PRO HD3 1 1 13 2241 1 1 10 PRO HG2 H 4.446 0.796 8.343 1.00 . A A . 10 PRO HG2 1 1 13 2242 1 1 10 PRO HG3 H 4.640 0.488 6.610 1.00 . A A . 10 PRO HG3 1 1 13 2243 1 1 10 PRO N N 6.604 -1.118 8.582 1.00 . A A . 10 PRO N 1 1 13 2244 1 1 10 PRO O O 7.521 0.512 10.624 1.00 . A A . 10 PRO O 1 1 13 2245 1 1 11 NH2 HN1 H 9.957 1.117 9.788 1.00 . A A . 11 NH2 HN1 1 1 13 2246 1 1 11 NH2 HN2 H 9.070 2.299 8.952 1.00 . A A . 11 NH2 HN2 1 1 13 2247 1 1 11 NH2 N N 9.108 1.436 9.416 1.00 . A A . 11 NH2 N 1 1 13 2248 2 2 1 A2G C1 C 1.931 -16.482 9.073 1.00 . B A . 101 A2G C1 1 1 13 2249 2 2 1 A2G C2 C 1.922 -16.694 10.592 1.00 . B A . 101 A2G C2 1 1 13 2250 2 2 1 A2G C3 C 0.674 -17.480 10.991 1.00 . B A . 101 A2G C3 1 1 13 2251 2 2 1 A2G C4 C -0.565 -16.752 10.477 1.00 . B A . 101 A2G C4 1 1 13 2252 2 2 1 A2G C5 C -0.436 -16.554 8.968 1.00 . B A . 101 A2G C5 1 1 13 2253 2 2 1 A2G C6 C -1.637 -15.763 8.447 1.00 . B A . 101 A2G C6 1 1 13 2254 2 2 1 A2G C7 C 3.990 -16.871 11.852 1.00 . B A . 101 A2G C7 1 1 13 2255 2 2 1 A2G C8 C 5.210 -17.717 12.199 1.00 . B A . 101 A2G C8 1 1 13 2256 2 2 1 A2G H1 H 2.780 -15.869 8.813 1.00 . B A . 101 A2G H1 1 1 13 2257 2 2 1 A2G H14 H -1.861 -16.072 7.437 1.00 . B A . 101 A2G H14 1 1 13 2258 2 2 1 A2G H15 H -2.819 -15.298 9.919 1.00 . B A . 101 A2G H15 1 1 13 2259 2 2 1 A2G H2 H 1.903 -15.731 11.081 1.00 . B A . 101 A2G H2 1 1 13 2260 2 2 1 A2G H3 H 0.717 -18.469 10.558 1.00 . B A . 101 A2G H3 1 1 13 2261 2 2 1 A2G H4 H -1.445 -17.340 10.689 1.00 . B A . 101 A2G H4 1 1 13 2262 2 2 1 A2G H5 H -0.394 -17.514 8.479 1.00 . B A . 101 A2G H5 1 1 13 2263 2 2 1 A2G H6 H -1.406 -14.708 8.458 1.00 . B A . 101 A2G H6 1 1 13 2264 2 2 1 A2G H8 H 4.973 -18.366 13.030 1.00 . B A . 101 A2G H8 1 1 13 2265 2 2 1 A2G H8A H 6.031 -17.070 12.470 1.00 . B A . 101 A2G H8A 1 1 13 2266 2 2 1 A2G H8B H 5.489 -18.314 11.343 1.00 . B A . 101 A2G H8B 1 1 13 2267 2 2 1 A2G HN2 H 3.287 -18.313 10.655 1.00 . B A . 101 A2G HN2 1 1 13 2268 2 2 1 A2G HO3 H -0.108 -18.184 12.626 1.00 . B A . 101 A2G HO3 1 1 13 2269 2 2 1 A2G HO4 H 0.122 -15.350 11.636 1.00 . B A . 101 A2G HO4 1 1 13 2270 2 2 1 A2G N2 N 3.121 -17.414 11.006 1.00 . B A . 101 A2G N2 1 1 13 2271 2 2 1 A2G O O 0.739 -15.814 8.701 1.00 . B A . 101 A2G O 1 1 13 2272 2 2 1 A2G O3 O 0.608 -17.584 12.406 1.00 . B A . 101 A2G O3 1 1 13 2273 2 2 1 A2G O4 O -0.672 -15.488 11.115 1.00 . B A . 101 A2G O4 1 1 13 2274 2 2 1 A2G O6 O -2.763 -16.009 9.277 1.00 . B A . 101 A2G O6 1 1 13 2275 2 2 1 A2G O7 O 3.845 -15.747 12.333 1.00 . B A . 101 A2G O7 1 1 14 2276 1 1 1 ACE C C -2.238 -23.148 8.562 1.00 . A A . 1 ACE C 1 1 14 2277 1 1 1 ACE CH3 C -3.728 -22.823 8.590 1.00 . A A . 1 ACE CH3 1 1 14 2278 1 1 1 ACE H1 H -4.283 -23.644 8.161 1.00 . A A . 1 ACE H1 1 1 14 2279 1 1 1 ACE H2 H -3.911 -21.926 8.016 1.00 . A A . 1 ACE H2 1 1 14 2280 1 1 1 ACE H3 H -4.043 -22.669 9.610 1.00 . A A . 1 ACE H3 1 1 14 2281 1 1 1 ACE O O -1.638 -23.455 9.593 1.00 . A A . 1 ACE O 1 1 14 2282 1 1 2 PRO C C 0.689 -22.229 7.716 1.00 . A A . 2 PRO C 1 1 14 2283 1 1 2 PRO CA C -0.192 -23.375 7.222 1.00 . A A . 2 PRO CA 1 1 14 2284 1 1 2 PRO CB C -0.026 -23.572 5.707 1.00 . A A . 2 PRO CB 1 1 14 2285 1 1 2 PRO CD C -2.279 -22.733 6.138 1.00 . A A . 2 PRO CD 1 1 14 2286 1 1 2 PRO CG C -1.384 -23.391 5.091 1.00 . A A . 2 PRO CG 1 1 14 2287 1 1 2 PRO HA H 0.070 -24.288 7.731 1.00 . A A . 2 PRO HA 1 1 14 2288 1 1 2 PRO HB2 H 0.660 -22.837 5.312 1.00 . A A . 2 PRO HB2 1 1 14 2289 1 1 2 PRO HB3 H 0.338 -24.567 5.501 1.00 . A A . 2 PRO HB3 1 1 14 2290 1 1 2 PRO HD2 H -2.296 -21.660 6.003 1.00 . A A . 2 PRO HD2 1 1 14 2291 1 1 2 PRO HD3 H -3.277 -23.141 6.096 1.00 . A A . 2 PRO HD3 1 1 14 2292 1 1 2 PRO HG2 H -1.308 -22.757 4.217 1.00 . A A . 2 PRO HG2 1 1 14 2293 1 1 2 PRO HG3 H -1.793 -24.350 4.816 1.00 . A A . 2 PRO HG3 1 1 14 2294 1 1 2 PRO N N -1.639 -23.086 7.404 1.00 . A A . 2 PRO N 1 1 14 2295 1 1 2 PRO O O 0.219 -21.107 7.906 1.00 . A A . 2 PRO O 1 1 14 2296 1 1 3 PRO C C 2.780 -20.145 7.690 1.00 . A A . 3 PRO C 1 1 14 2297 1 1 3 PRO CA C 2.930 -21.481 8.412 1.00 . A A . 3 PRO CA 1 1 14 2298 1 1 3 PRO CB C 4.305 -22.106 8.121 1.00 . A A . 3 PRO CB 1 1 14 2299 1 1 3 PRO CD C 2.591 -23.800 7.722 1.00 . A A . 3 PRO CD 1 1 14 2300 1 1 3 PRO CG C 4.056 -23.443 7.483 1.00 . A A . 3 PRO CG 1 1 14 2301 1 1 3 PRO HA H 2.819 -21.342 9.475 1.00 . A A . 3 PRO HA 1 1 14 2302 1 1 3 PRO HB2 H 4.863 -21.472 7.448 1.00 . A A . 3 PRO HB2 1 1 14 2303 1 1 3 PRO HB3 H 4.852 -22.239 9.043 1.00 . A A . 3 PRO HB3 1 1 14 2304 1 1 3 PRO HD2 H 2.177 -24.301 6.857 1.00 . A A . 3 PRO HD2 1 1 14 2305 1 1 3 PRO HD3 H 2.486 -24.411 8.606 1.00 . A A . 3 PRO HD3 1 1 14 2306 1 1 3 PRO HG2 H 4.254 -23.383 6.421 1.00 . A A . 3 PRO HG2 1 1 14 2307 1 1 3 PRO HG3 H 4.689 -24.191 7.935 1.00 . A A . 3 PRO HG3 1 1 14 2308 1 1 3 PRO N N 1.952 -22.497 7.925 1.00 . A A . 3 PRO N 1 1 14 2309 1 1 3 PRO O O 2.286 -20.089 6.566 1.00 . A A . 3 PRO O 1 1 14 2310 1 1 4 THR C C 4.329 -16.894 8.160 1.00 . A A . 4 THR C 1 1 14 2311 1 1 4 THR CA C 3.124 -17.738 7.755 1.00 . A A . 4 THR CA 1 1 14 2312 1 1 4 THR CB C 1.838 -17.042 8.211 1.00 . A A . 4 THR CB 1 1 14 2313 1 1 4 THR CG2 C 0.622 -17.839 7.737 1.00 . A A . 4 THR CG2 1 1 14 2314 1 1 4 THR H H 3.602 -19.178 9.237 1.00 . A A . 4 THR H 1 1 14 2315 1 1 4 THR HA H 3.107 -17.832 6.680 1.00 . A A . 4 THR HA 1 1 14 2316 1 1 4 THR HB H 1.797 -16.047 7.797 1.00 . A A . 4 THR HB 1 1 14 2317 1 1 4 THR HG21 H 0.830 -18.274 6.770 1.00 . A A . 4 THR HG21 1 1 14 2318 1 1 4 THR HG22 H -0.232 -17.182 7.660 1.00 . A A . 4 THR HG22 1 1 14 2319 1 1 4 THR HG23 H 0.409 -18.625 8.446 1.00 . A A . 4 THR HG23 1 1 14 2320 1 1 4 THR N N 3.213 -19.072 8.344 1.00 . A A . 4 THR N 1 1 14 2321 1 1 4 THR O O 4.743 -16.902 9.318 1.00 . A A . 4 THR O 1 1 14 2322 1 1 4 THR OG1 O 1.824 -16.986 9.620 1.00 . A A . 4 THR OG1 1 1 14 2323 1 1 5 THR C C 5.635 -13.851 7.509 1.00 . A A . 5 THR C 1 1 14 2324 1 1 5 THR CA C 6.043 -15.320 7.467 1.00 . A A . 5 THR CA 1 1 14 2325 1 1 5 THR CB C 7.105 -15.526 6.385 1.00 . A A . 5 THR CB 1 1 14 2326 1 1 5 THR CG2 C 7.418 -17.016 6.242 1.00 . A A . 5 THR CG2 1 1 14 2327 1 1 5 THR H H 4.513 -16.198 6.292 1.00 . A A . 5 THR H 1 1 14 2328 1 1 5 THR HA H 6.462 -15.594 8.423 1.00 . A A . 5 THR HA 1 1 14 2329 1 1 5 THR HB H 8.005 -14.993 6.651 1.00 . A A . 5 THR HB 1 1 14 2330 1 1 5 THR HG21 H 8.485 -17.168 6.318 1.00 . A A . 5 THR HG21 1 1 14 2331 1 1 5 THR HG22 H 7.071 -17.366 5.281 1.00 . A A . 5 THR HG22 1 1 14 2332 1 1 5 THR HG23 H 6.919 -17.566 7.027 1.00 . A A . 5 THR HG23 1 1 14 2333 1 1 5 THR N N 4.886 -16.166 7.197 1.00 . A A . 5 THR N 1 1 14 2334 1 1 5 THR O O 4.793 -13.407 6.727 1.00 . A A . 5 THR O 1 1 14 2335 1 1 5 THR OG1 O 6.597 -15.048 5.159 1.00 . A A . 5 THR OG1 1 1 14 2336 1 1 6 THR C C 7.052 -10.832 7.987 1.00 . A A . 6 THR C 1 1 14 2337 1 1 6 THR CA C 5.925 -11.683 8.564 1.00 . A A . 6 THR CA 1 1 14 2338 1 1 6 THR CB C 5.720 -11.332 10.039 1.00 . A A . 6 THR CB 1 1 14 2339 1 1 6 THR CG2 C 4.682 -12.269 10.657 1.00 . A A . 6 THR CG2 1 1 14 2340 1 1 6 THR H H 6.895 -13.510 9.026 1.00 . A A . 6 THR H 1 1 14 2341 1 1 6 THR HA H 5.015 -11.470 8.026 1.00 . A A . 6 THR HA 1 1 14 2342 1 1 6 THR HB H 5.381 -10.311 10.128 1.00 . A A . 6 THR HB 1 1 14 2343 1 1 6 THR HG21 H 4.283 -11.822 11.555 1.00 . A A . 6 THR HG21 1 1 14 2344 1 1 6 THR HG22 H 5.148 -13.212 10.899 1.00 . A A . 6 THR HG22 1 1 14 2345 1 1 6 THR HG23 H 3.881 -12.434 9.951 1.00 . A A . 6 THR HG23 1 1 14 2346 1 1 6 THR N N 6.234 -13.102 8.429 1.00 . A A . 6 THR N 1 1 14 2347 1 1 6 THR O O 8.195 -11.279 7.893 1.00 . A A . 6 THR O 1 1 14 2348 1 1 6 THR OG1 O 6.946 -11.501 10.717 1.00 . A A . 6 THR OG1 1 1 14 2349 1 1 7 THR C C 7.519 -7.284 7.574 1.00 . A A . 7 THR C 1 1 14 2350 1 1 7 THR CA C 7.714 -8.697 7.036 1.00 . A A . 7 THR CA 1 1 14 2351 1 1 7 THR CB C 7.602 -8.687 5.510 1.00 . A A . 7 THR CB 1 1 14 2352 1 1 7 THR CG2 C 7.734 -10.111 4.969 1.00 . A A . 7 THR CG2 1 1 14 2353 1 1 7 THR H H 5.795 -9.301 7.700 1.00 . A A . 7 THR H 1 1 14 2354 1 1 7 THR HA H 8.700 -9.043 7.309 1.00 . A A . 7 THR HA 1 1 14 2355 1 1 7 THR HB H 8.381 -8.069 5.090 1.00 . A A . 7 THR HB 1 1 14 2356 1 1 7 THR HG21 H 6.850 -10.676 5.223 1.00 . A A . 7 THR HG21 1 1 14 2357 1 1 7 THR HG22 H 8.602 -10.583 5.406 1.00 . A A . 7 THR HG22 1 1 14 2358 1 1 7 THR HG23 H 7.844 -10.079 3.895 1.00 . A A . 7 THR HG23 1 1 14 2359 1 1 7 THR N N 6.722 -9.603 7.603 1.00 . A A . 7 THR N 1 1 14 2360 1 1 7 THR O O 6.440 -6.704 7.445 1.00 . A A . 7 THR O 1 1 14 2361 1 1 7 THR OG1 O 6.334 -8.182 5.156 1.00 . A A . 7 THR OG1 1 1 14 2362 1 1 8 LYS C C 7.663 -5.375 10.005 1.00 . A A . 8 LYS C 1 1 14 2363 1 1 8 LYS CA C 8.500 -5.388 8.731 1.00 . A A . 8 LYS CA 1 1 14 2364 1 1 8 LYS CB C 7.888 -4.432 7.705 1.00 . A A . 8 LYS CB 1 1 14 2365 1 1 8 LYS CD C 7.852 -2.072 6.885 1.00 . A A . 8 LYS CD 1 1 14 2366 1 1 8 LYS CE C 8.126 -0.631 7.322 1.00 . A A . 8 LYS CE 1 1 14 2367 1 1 8 LYS CG C 8.498 -3.039 7.878 1.00 . A A . 8 LYS CG 1 1 14 2368 1 1 8 LYS H H 9.402 -7.244 8.250 1.00 . A A . 8 LYS H 1 1 14 2369 1 1 8 LYS HA H 9.500 -5.054 8.965 1.00 . A A . 8 LYS HA 1 1 14 2370 1 1 8 LYS HB2 H 8.094 -4.794 6.708 1.00 . A A . 8 LYS HB2 1 1 14 2371 1 1 8 LYS HB3 H 6.821 -4.377 7.856 1.00 . A A . 8 LYS HB3 1 1 14 2372 1 1 8 LYS HD2 H 8.268 -2.235 5.901 1.00 . A A . 8 LYS HD2 1 1 14 2373 1 1 8 LYS HD3 H 6.786 -2.241 6.858 1.00 . A A . 8 LYS HD3 1 1 14 2374 1 1 8 LYS HE2 H 8.155 0.009 6.453 1.00 . A A . 8 LYS HE2 1 1 14 2375 1 1 8 LYS HE3 H 7.341 -0.301 7.986 1.00 . A A . 8 LYS HE3 1 1 14 2376 1 1 8 LYS HG2 H 8.322 -2.692 8.887 1.00 . A A . 8 LYS HG2 1 1 14 2377 1 1 8 LYS HG3 H 9.560 -3.085 7.694 1.00 . A A . 8 LYS HG3 1 1 14 2378 1 1 8 LYS HZ1 H 10.051 -1.333 7.691 1.00 . A A . 8 LYS HZ1 1 1 14 2379 1 1 8 LYS HZ2 H 9.281 -0.675 9.054 1.00 . A A . 8 LYS HZ2 1 1 14 2380 1 1 8 LYS HZ3 H 9.889 0.349 7.842 1.00 . A A . 8 LYS HZ3 1 1 14 2381 1 1 8 LYS N N 8.568 -6.735 8.176 1.00 . A A . 8 LYS N 1 1 14 2382 1 1 8 LYS NZ N 9.436 -0.568 8.030 1.00 . A A . 8 LYS NZ 1 1 14 2383 1 1 8 LYS O O 6.949 -6.333 10.300 1.00 . A A . 8 LYS O 1 1 14 2384 1 1 9 LYS C C 5.502 -4.170 11.719 1.00 . A A . 9 LYS C 1 1 14 2385 1 1 9 LYS CA C 7.000 -4.157 11.999 1.00 . A A . 9 LYS CA 1 1 14 2386 1 1 9 LYS CB C 7.377 -2.855 12.708 1.00 . A A . 9 LYS CB 1 1 14 2387 1 1 9 LYS CD C 8.951 -1.801 14.339 1.00 . A A . 9 LYS CD 1 1 14 2388 1 1 9 LYS CE C 10.219 -2.024 15.165 1.00 . A A . 9 LYS CE 1 1 14 2389 1 1 9 LYS CG C 8.542 -3.113 13.666 1.00 . A A . 9 LYS CG 1 1 14 2390 1 1 9 LYS H H 8.341 -3.551 10.473 1.00 . A A . 9 LYS H 1 1 14 2391 1 1 9 LYS HA H 7.245 -4.988 12.643 1.00 . A A . 9 LYS HA 1 1 14 2392 1 1 9 LYS HB2 H 7.669 -2.117 11.975 1.00 . A A . 9 LYS HB2 1 1 14 2393 1 1 9 LYS HB3 H 6.528 -2.491 13.268 1.00 . A A . 9 LYS HB3 1 1 14 2394 1 1 9 LYS HD2 H 9.140 -1.053 13.583 1.00 . A A . 9 LYS HD2 1 1 14 2395 1 1 9 LYS HD3 H 8.156 -1.466 14.987 1.00 . A A . 9 LYS HD3 1 1 14 2396 1 1 9 LYS HE2 H 11.002 -2.409 14.528 1.00 . A A . 9 LYS HE2 1 1 14 2397 1 1 9 LYS HE3 H 10.536 -1.087 15.598 1.00 . A A . 9 LYS HE3 1 1 14 2398 1 1 9 LYS HG2 H 8.238 -3.826 14.420 1.00 . A A . 9 LYS HG2 1 1 14 2399 1 1 9 LYS HG3 H 9.381 -3.509 13.114 1.00 . A A . 9 LYS HG3 1 1 14 2400 1 1 9 LYS HZ1 H 8.980 -3.391 16.132 1.00 . A A . 9 LYS HZ1 1 1 14 2401 1 1 9 LYS HZ2 H 10.008 -2.528 17.174 1.00 . A A . 9 LYS HZ2 1 1 14 2402 1 1 9 LYS HZ3 H 10.629 -3.780 16.208 1.00 . A A . 9 LYS HZ3 1 1 14 2403 1 1 9 LYS N N 7.755 -4.283 10.757 1.00 . A A . 9 LYS N 1 1 14 2404 1 1 9 LYS NZ N 9.938 -3.005 16.251 1.00 . A A . 9 LYS NZ 1 1 14 2405 1 1 9 LYS O O 5.060 -3.821 10.625 1.00 . A A . 9 LYS O 1 1 14 2406 1 1 10 PRO C C 2.666 -3.393 11.885 1.00 . A A . 10 PRO C 1 1 14 2407 1 1 10 PRO CA C 3.241 -4.637 12.558 1.00 . A A . 10 PRO CA 1 1 14 2408 1 1 10 PRO CB C 2.734 -4.758 14.005 1.00 . A A . 10 PRO CB 1 1 14 2409 1 1 10 PRO CD C 5.166 -4.991 14.013 1.00 . A A . 10 PRO CD 1 1 14 2410 1 1 10 PRO CG C 3.943 -4.748 14.895 1.00 . A A . 10 PRO CG 1 1 14 2411 1 1 10 PRO HA H 2.960 -5.519 12.006 1.00 . A A . 10 PRO HA 1 1 14 2412 1 1 10 PRO HB2 H 2.093 -3.921 14.241 1.00 . A A . 10 PRO HB2 1 1 14 2413 1 1 10 PRO HB3 H 2.196 -5.684 14.130 1.00 . A A . 10 PRO HB3 1 1 14 2414 1 1 10 PRO HD2 H 6.001 -4.390 14.348 1.00 . A A . 10 PRO HD2 1 1 14 2415 1 1 10 PRO HD3 H 5.427 -6.038 14.003 1.00 . A A . 10 PRO HD3 1 1 14 2416 1 1 10 PRO HG2 H 4.027 -3.788 15.388 1.00 . A A . 10 PRO HG2 1 1 14 2417 1 1 10 PRO HG3 H 3.865 -5.534 15.630 1.00 . A A . 10 PRO HG3 1 1 14 2418 1 1 10 PRO N N 4.721 -4.566 12.687 1.00 . A A . 10 PRO N 1 1 14 2419 1 1 10 PRO O O 2.547 -2.343 12.517 1.00 . A A . 10 PRO O 1 1 14 2420 1 1 11 NH2 HN1 H 1.563 -2.891 10.313 1.00 . A A . 11 NH2 HN1 1 1 14 2421 1 1 11 NH2 HN2 H 2.773 -4.042 10.012 1.00 . A A . 11 NH2 HN2 1 1 14 2422 1 1 11 NH2 N N 2.302 -3.449 10.634 1.00 . A A . 11 NH2 N 1 1 14 2423 2 2 1 A2G C1 C 1.923 -15.665 10.106 1.00 . B A . 101 A2G C1 1 1 14 2424 2 2 1 A2G C2 C 2.109 -15.724 11.625 1.00 . B A . 101 A2G C2 1 1 14 2425 2 2 1 A2G C3 C 0.870 -16.359 12.263 1.00 . B A . 101 A2G C3 1 1 14 2426 2 2 1 A2G C4 C -0.382 -15.607 11.808 1.00 . B A . 101 A2G C4 1 1 14 2427 2 2 1 A2G C5 C -0.414 -15.550 10.281 1.00 . B A . 101 A2G C5 1 1 14 2428 2 2 1 A2G C6 C -1.621 -14.732 9.820 1.00 . B A . 101 A2G C6 1 1 14 2429 2 2 1 A2G C7 C 4.394 -15.911 12.416 1.00 . B A . 101 A2G C7 1 1 14 2430 2 2 1 A2G C8 C 5.615 -16.810 12.634 1.00 . B A . 101 A2G C8 1 1 14 2431 2 2 1 A2G H1 H 2.781 -15.180 9.663 1.00 . B A . 101 A2G H1 1 1 14 2432 2 2 1 A2G H14 H -1.954 -15.092 8.858 1.00 . B A . 101 A2G H14 1 1 14 2433 2 2 1 A2G H15 H -3.011 -13.989 10.958 1.00 . B A . 101 A2G H15 1 1 14 2434 2 2 1 A2G H2 H 2.229 -14.720 12.003 1.00 . B A . 101 A2G H2 1 1 14 2435 2 2 1 A2G H3 H 0.799 -17.393 11.959 1.00 . B A . 101 A2G H3 1 1 14 2436 2 2 1 A2G H4 H -1.260 -16.120 12.168 1.00 . B A . 101 A2G H4 1 1 14 2437 2 2 1 A2G H5 H -0.476 -16.551 9.879 1.00 . B A . 101 A2G H5 1 1 14 2438 2 2 1 A2G H6 H -1.342 -13.692 9.738 1.00 . B A . 101 A2G H6 1 1 14 2439 2 2 1 A2G H8 H 5.351 -17.623 13.295 1.00 . B A . 101 A2G H8 1 1 14 2440 2 2 1 A2G H8A H 6.412 -16.231 13.078 1.00 . B A . 101 A2G H8A 1 1 14 2441 2 2 1 A2G H8B H 5.947 -17.209 11.686 1.00 . B A . 101 A2G H8B 1 1 14 2442 2 2 1 A2G HN2 H 3.339 -17.445 11.687 1.00 . B A . 101 A2G HN2 1 1 14 2443 2 2 1 A2G HO3 H 0.440 -15.553 13.978 1.00 . B A . 101 A2G HO3 1 1 14 2444 2 2 1 A2G HO4 H 0.562 -14.017 12.413 1.00 . B A . 101 A2G HO4 1 1 14 2445 2 2 1 A2G N2 N 3.297 -16.503 11.954 1.00 . B A . 101 A2G N2 1 1 14 2446 2 2 1 A2G O O 0.761 -14.915 9.828 1.00 . B A . 101 A2G O 1 1 14 2447 2 2 1 A2G O3 O 0.978 -16.289 13.676 1.00 . B A . 101 A2G O3 1 1 14 2448 2 2 1 A2G O4 O -0.356 -14.287 12.332 1.00 . B A . 101 A2G O4 1 1 14 2449 2 2 1 A2G O6 O -2.673 -14.866 10.765 1.00 . B A . 101 A2G O6 1 1 14 2450 2 2 1 A2G O7 O 4.472 -14.695 12.588 1.00 . B A . 101 A2G O7 1 1 15 2451 1 1 1 ACE C C -0.087 -24.704 6.265 1.00 . A A . 1 ACE C 1 1 15 2452 1 1 1 ACE CH3 C -1.562 -24.986 5.999 1.00 . A A . 1 ACE CH3 1 1 15 2453 1 1 1 ACE H1 H -1.651 -25.746 5.236 1.00 . A A . 1 ACE H1 1 1 15 2454 1 1 1 ACE H2 H -2.047 -24.081 5.665 1.00 . A A . 1 ACE H2 1 1 15 2455 1 1 1 ACE H3 H -2.032 -25.332 6.908 1.00 . A A . 1 ACE H3 1 1 15 2456 1 1 1 ACE O O 0.345 -24.629 7.415 1.00 . A A . 1 ACE O 1 1 15 2457 1 1 2 PRO C C 2.445 -23.203 6.380 1.00 . A A . 2 PRO C 1 1 15 2458 1 1 2 PRO CA C 2.141 -24.268 5.328 1.00 . A A . 2 PRO CA 1 1 15 2459 1 1 2 PRO CB C 2.539 -23.778 3.926 1.00 . A A . 2 PRO CB 1 1 15 2460 1 1 2 PRO CD C 0.250 -24.623 3.830 1.00 . A A . 2 PRO CD 1 1 15 2461 1 1 2 PRO CG C 1.295 -23.796 3.086 1.00 . A A . 2 PRO CG 1 1 15 2462 1 1 2 PRO HA H 2.677 -25.174 5.554 1.00 . A A . 2 PRO HA 1 1 15 2463 1 1 2 PRO HB2 H 2.931 -22.771 3.986 1.00 . A A . 2 PRO HB2 1 1 15 2464 1 1 2 PRO HB3 H 3.277 -24.438 3.500 1.00 . A A . 2 PRO HB3 1 1 15 2465 1 1 2 PRO HD2 H -0.733 -24.188 3.709 1.00 . A A . 2 PRO HD2 1 1 15 2466 1 1 2 PRO HD3 H 0.259 -25.646 3.489 1.00 . A A . 2 PRO HD3 1 1 15 2467 1 1 2 PRO HG2 H 0.936 -22.785 2.943 1.00 . A A . 2 PRO HG2 1 1 15 2468 1 1 2 PRO HG3 H 1.504 -24.251 2.130 1.00 . A A . 2 PRO HG3 1 1 15 2469 1 1 2 PRO N N 0.684 -24.548 5.224 1.00 . A A . 2 PRO N 1 1 15 2470 1 1 2 PRO O O 1.537 -22.674 7.023 1.00 . A A . 2 PRO O 1 1 15 2471 1 1 3 PRO C C 3.872 -20.448 7.065 1.00 . A A . 3 PRO C 1 1 15 2472 1 1 3 PRO CA C 4.144 -21.870 7.547 1.00 . A A . 3 PRO CA 1 1 15 2473 1 1 3 PRO CB C 5.654 -22.116 7.696 1.00 . A A . 3 PRO CB 1 1 15 2474 1 1 3 PRO CD C 4.830 -23.471 5.840 1.00 . A A . 3 PRO CD 1 1 15 2475 1 1 3 PRO CG C 6.003 -23.262 6.794 1.00 . A A . 3 PRO CG 1 1 15 2476 1 1 3 PRO HA H 3.660 -22.038 8.495 1.00 . A A . 3 PRO HA 1 1 15 2477 1 1 3 PRO HB2 H 6.202 -21.232 7.402 1.00 . A A . 3 PRO HB2 1 1 15 2478 1 1 3 PRO HB3 H 5.887 -22.372 8.719 1.00 . A A . 3 PRO HB3 1 1 15 2479 1 1 3 PRO HD2 H 5.001 -22.948 4.908 1.00 . A A . 3 PRO HD2 1 1 15 2480 1 1 3 PRO HD3 H 4.660 -24.521 5.664 1.00 . A A . 3 PRO HD3 1 1 15 2481 1 1 3 PRO HG2 H 6.899 -23.028 6.234 1.00 . A A . 3 PRO HG2 1 1 15 2482 1 1 3 PRO HG3 H 6.157 -24.157 7.376 1.00 . A A . 3 PRO HG3 1 1 15 2483 1 1 3 PRO N N 3.698 -22.889 6.559 1.00 . A A . 3 PRO N 1 1 15 2484 1 1 3 PRO O O 4.219 -20.087 5.940 1.00 . A A . 3 PRO O 1 1 15 2485 1 1 4 THR C C 4.030 -17.325 8.075 1.00 . A A . 4 THR C 1 1 15 2486 1 1 4 THR CA C 2.938 -18.265 7.573 1.00 . A A . 4 THR CA 1 1 15 2487 1 1 4 THR CB C 1.594 -17.862 8.186 1.00 . A A . 4 THR CB 1 1 15 2488 1 1 4 THR CG2 C 0.501 -18.822 7.714 1.00 . A A . 4 THR CG2 1 1 15 2489 1 1 4 THR H H 2.999 -19.988 8.806 1.00 . A A . 4 THR H 1 1 15 2490 1 1 4 THR HA H 2.870 -18.182 6.500 1.00 . A A . 4 THR HA 1 1 15 2491 1 1 4 THR HB H 1.344 -16.857 7.886 1.00 . A A . 4 THR HB 1 1 15 2492 1 1 4 THR HG21 H -0.423 -18.279 7.579 1.00 . A A . 4 THR HG21 1 1 15 2493 1 1 4 THR HG22 H 0.358 -19.597 8.453 1.00 . A A . 4 THR HG22 1 1 15 2494 1 1 4 THR HG23 H 0.796 -19.270 6.776 1.00 . A A . 4 THR HG23 1 1 15 2495 1 1 4 THR N N 3.251 -19.646 7.923 1.00 . A A . 4 THR N 1 1 15 2496 1 1 4 THR O O 4.545 -17.490 9.180 1.00 . A A . 4 THR O 1 1 15 2497 1 1 4 THR OG1 O 1.697 -17.944 9.591 1.00 . A A . 4 THR OG1 1 1 15 2498 1 1 5 THR C C 4.783 -14.034 7.993 1.00 . A A . 5 THR C 1 1 15 2499 1 1 5 THR CA C 5.408 -15.377 7.625 1.00 . A A . 5 THR CA 1 1 15 2500 1 1 5 THR CB C 6.386 -15.186 6.464 1.00 . A A . 5 THR CB 1 1 15 2501 1 1 5 THR CG2 C 6.910 -16.544 5.998 1.00 . A A . 5 THR CG2 1 1 15 2502 1 1 5 THR H H 3.929 -16.255 6.386 1.00 . A A . 5 THR H 1 1 15 2503 1 1 5 THR HA H 5.950 -15.755 8.478 1.00 . A A . 5 THR HA 1 1 15 2504 1 1 5 THR HB H 7.213 -14.571 6.781 1.00 . A A . 5 THR HB 1 1 15 2505 1 1 5 THR HG21 H 6.287 -16.916 5.198 1.00 . A A . 5 THR HG21 1 1 15 2506 1 1 5 THR HG22 H 6.888 -17.241 6.824 1.00 . A A . 5 THR HG22 1 1 15 2507 1 1 5 THR HG23 H 7.924 -16.438 5.644 1.00 . A A . 5 THR HG23 1 1 15 2508 1 1 5 THR N N 4.376 -16.338 7.254 1.00 . A A . 5 THR N 1 1 15 2509 1 1 5 THR O O 3.817 -13.597 7.367 1.00 . A A . 5 THR O 1 1 15 2510 1 1 5 THR OG1 O 5.701 -14.571 5.394 1.00 . A A . 5 THR OG1 1 1 15 2511 1 1 6 THR C C 5.759 -10.969 9.007 1.00 . A A . 6 THR C 1 1 15 2512 1 1 6 THR CA C 4.829 -12.094 9.452 1.00 . A A . 6 THR CA 1 1 15 2513 1 1 6 THR CB C 4.697 -12.078 10.976 1.00 . A A . 6 THR CB 1 1 15 2514 1 1 6 THR CG2 C 3.924 -13.312 11.444 1.00 . A A . 6 THR CG2 1 1 15 2515 1 1 6 THR H H 6.108 -13.783 9.471 1.00 . A A . 6 THR H 1 1 15 2516 1 1 6 THR HA H 3.854 -11.935 9.016 1.00 . A A . 6 THR HA 1 1 15 2517 1 1 6 THR HB H 4.174 -11.187 11.288 1.00 . A A . 6 THR HB 1 1 15 2518 1 1 6 THR HG21 H 3.081 -13.478 10.791 1.00 . A A . 6 THR HG21 1 1 15 2519 1 1 6 THR HG22 H 3.574 -13.157 12.454 1.00 . A A . 6 THR HG22 1 1 15 2520 1 1 6 THR HG23 H 4.574 -14.175 11.417 1.00 . A A . 6 THR HG23 1 1 15 2521 1 1 6 THR N N 5.340 -13.386 9.009 1.00 . A A . 6 THR N 1 1 15 2522 1 1 6 THR O O 6.920 -11.206 8.676 1.00 . A A . 6 THR O 1 1 15 2523 1 1 6 THR OG1 O 5.990 -12.108 11.540 1.00 . A A . 6 THR OG1 1 1 15 2524 1 1 7 THR C C 5.756 -7.403 9.514 1.00 . A A . 7 THR C 1 1 15 2525 1 1 7 THR CA C 6.033 -8.591 8.599 1.00 . A A . 7 THR CA 1 1 15 2526 1 1 7 THR CB C 5.704 -8.213 7.153 1.00 . A A . 7 THR CB 1 1 15 2527 1 1 7 THR CG2 C 5.795 -9.450 6.259 1.00 . A A . 7 THR CG2 1 1 15 2528 1 1 7 THR H H 4.307 -9.617 9.279 1.00 . A A . 7 THR H 1 1 15 2529 1 1 7 THR HA H 7.080 -8.846 8.663 1.00 . A A . 7 THR HA 1 1 15 2530 1 1 7 THR HB H 6.401 -7.465 6.805 1.00 . A A . 7 THR HB 1 1 15 2531 1 1 7 THR HG21 H 6.731 -9.958 6.442 1.00 . A A . 7 THR HG21 1 1 15 2532 1 1 7 THR HG22 H 5.744 -9.150 5.223 1.00 . A A . 7 THR HG22 1 1 15 2533 1 1 7 THR HG23 H 4.975 -10.116 6.483 1.00 . A A . 7 THR HG23 1 1 15 2534 1 1 7 THR N N 5.239 -9.746 9.004 1.00 . A A . 7 THR N 1 1 15 2535 1 1 7 THR O O 4.718 -7.344 10.173 1.00 . A A . 7 THR O 1 1 15 2536 1 1 7 THR OG1 O 4.386 -7.713 7.107 1.00 . A A . 7 THR OG1 1 1 15 2537 1 1 8 LYS C C 7.430 -4.145 9.889 1.00 . A A . 8 LYS C 1 1 15 2538 1 1 8 LYS CA C 6.535 -5.275 10.386 1.00 . A A . 8 LYS CA 1 1 15 2539 1 1 8 LYS CB C 6.890 -5.610 11.835 1.00 . A A . 8 LYS CB 1 1 15 2540 1 1 8 LYS CD C 9.230 -4.965 12.428 1.00 . A A . 8 LYS CD 1 1 15 2541 1 1 8 LYS CE C 9.188 -4.946 13.958 1.00 . A A . 8 LYS CE 1 1 15 2542 1 1 8 LYS CG C 8.340 -6.094 11.907 1.00 . A A . 8 LYS CG 1 1 15 2543 1 1 8 LYS H H 7.496 -6.558 9.001 1.00 . A A . 8 LYS H 1 1 15 2544 1 1 8 LYS HA H 5.506 -4.949 10.346 1.00 . A A . 8 LYS HA 1 1 15 2545 1 1 8 LYS HB2 H 6.774 -4.728 12.448 1.00 . A A . 8 LYS HB2 1 1 15 2546 1 1 8 LYS HB3 H 6.235 -6.389 12.196 1.00 . A A . 8 LYS HB3 1 1 15 2547 1 1 8 LYS HD2 H 10.247 -5.126 12.098 1.00 . A A . 8 LYS HD2 1 1 15 2548 1 1 8 LYS HD3 H 8.874 -4.020 12.048 1.00 . A A . 8 LYS HD3 1 1 15 2549 1 1 8 LYS HE2 H 8.173 -4.775 14.287 1.00 . A A . 8 LYS HE2 1 1 15 2550 1 1 8 LYS HE3 H 9.535 -5.893 14.339 1.00 . A A . 8 LYS HE3 1 1 15 2551 1 1 8 LYS HG2 H 8.404 -6.942 12.574 1.00 . A A . 8 LYS HG2 1 1 15 2552 1 1 8 LYS HG3 H 8.671 -6.386 10.922 1.00 . A A . 8 LYS HG3 1 1 15 2553 1 1 8 LYS HZ1 H 10.232 -3.986 15.482 1.00 . A A . 8 LYS HZ1 1 1 15 2554 1 1 8 LYS HZ2 H 9.602 -2.934 14.305 1.00 . A A . 8 LYS HZ2 1 1 15 2555 1 1 8 LYS HZ3 H 10.974 -3.876 13.962 1.00 . A A . 8 LYS HZ3 1 1 15 2556 1 1 8 LYS N N 6.689 -6.457 9.548 1.00 . A A . 8 LYS N 1 1 15 2557 1 1 8 LYS NZ N 10.065 -3.854 14.465 1.00 . A A . 8 LYS NZ 1 1 15 2558 1 1 8 LYS O O 8.614 -4.350 9.619 1.00 . A A . 8 LYS O 1 1 15 2559 1 1 9 LYS C C 8.865 -2.242 8.551 1.00 . A A . 9 LYS C 1 1 15 2560 1 1 9 LYS CA C 7.616 -1.795 9.303 1.00 . A A . 9 LYS CA 1 1 15 2561 1 1 9 LYS CB C 8.018 -0.918 10.491 1.00 . A A . 9 LYS CB 1 1 15 2562 1 1 9 LYS CD C 9.060 1.253 11.156 1.00 . A A . 9 LYS CD 1 1 15 2563 1 1 9 LYS CE C 10.577 1.086 11.256 1.00 . A A . 9 LYS CE 1 1 15 2564 1 1 9 LYS CG C 8.532 0.429 9.980 1.00 . A A . 9 LYS CG 1 1 15 2565 1 1 9 LYS H H 5.913 -2.845 10.002 1.00 . A A . 9 LYS H 1 1 15 2566 1 1 9 LYS HA H 6.994 -1.215 8.637 1.00 . A A . 9 LYS HA 1 1 15 2567 1 1 9 LYS HB2 H 7.160 -0.760 11.128 1.00 . A A . 9 LYS HB2 1 1 15 2568 1 1 9 LYS HB3 H 8.798 -1.410 11.053 1.00 . A A . 9 LYS HB3 1 1 15 2569 1 1 9 LYS HD2 H 8.820 2.295 11.001 1.00 . A A . 9 LYS HD2 1 1 15 2570 1 1 9 LYS HD3 H 8.601 0.910 12.072 1.00 . A A . 9 LYS HD3 1 1 15 2571 1 1 9 LYS HE2 H 10.819 0.039 11.356 1.00 . A A . 9 LYS HE2 1 1 15 2572 1 1 9 LYS HE3 H 11.042 1.479 10.363 1.00 . A A . 9 LYS HE3 1 1 15 2573 1 1 9 LYS HG2 H 9.327 0.264 9.268 1.00 . A A . 9 LYS HG2 1 1 15 2574 1 1 9 LYS HG3 H 7.725 0.965 9.503 1.00 . A A . 9 LYS HG3 1 1 15 2575 1 1 9 LYS HZ1 H 11.108 1.191 13.267 1.00 . A A . 9 LYS HZ1 1 1 15 2576 1 1 9 LYS HZ2 H 10.448 2.630 12.647 1.00 . A A . 9 LYS HZ2 1 1 15 2577 1 1 9 LYS HZ3 H 12.039 2.184 12.253 1.00 . A A . 9 LYS HZ3 1 1 15 2578 1 1 9 LYS N N 6.859 -2.951 9.771 1.00 . A A . 9 LYS N 1 1 15 2579 1 1 9 LYS NZ N 11.082 1.829 12.446 1.00 . A A . 9 LYS NZ 1 1 15 2580 1 1 9 LYS O O 9.981 -2.142 9.064 1.00 . A A . 9 LYS O 1 1 15 2581 1 1 10 PRO C C 10.609 -2.043 5.903 1.00 . A A . 10 PRO C 1 1 15 2582 1 1 10 PRO CA C 9.818 -3.202 6.502 1.00 . A A . 10 PRO CA 1 1 15 2583 1 1 10 PRO CB C 9.141 -4.030 5.398 1.00 . A A . 10 PRO CB 1 1 15 2584 1 1 10 PRO CD C 7.407 -2.881 6.676 1.00 . A A . 10 PRO CD 1 1 15 2585 1 1 10 PRO CG C 7.665 -3.996 5.666 1.00 . A A . 10 PRO CG 1 1 15 2586 1 1 10 PRO HA H 10.473 -3.839 7.075 1.00 . A A . 10 PRO HA 1 1 15 2587 1 1 10 PRO HB2 H 9.353 -3.595 4.430 1.00 . A A . 10 PRO HB2 1 1 15 2588 1 1 10 PRO HB3 H 9.495 -5.049 5.430 1.00 . A A . 10 PRO HB3 1 1 15 2589 1 1 10 PRO HD2 H 7.129 -1.966 6.169 1.00 . A A . 10 PRO HD2 1 1 15 2590 1 1 10 PRO HD3 H 6.646 -3.174 7.383 1.00 . A A . 10 PRO HD3 1 1 15 2591 1 1 10 PRO HG2 H 7.131 -3.795 4.748 1.00 . A A . 10 PRO HG2 1 1 15 2592 1 1 10 PRO HG3 H 7.346 -4.940 6.080 1.00 . A A . 10 PRO HG3 1 1 15 2593 1 1 10 PRO N N 8.695 -2.728 7.353 1.00 . A A . 10 PRO N 1 1 15 2594 1 1 10 PRO O O 11.224 -2.191 4.845 1.00 . A A . 10 PRO O 1 1 15 2595 1 1 11 NH2 HN1 H 9.871 -0.619 7.072 1.00 . A A . 11 NH2 HN1 1 1 15 2596 1 1 11 NH2 HN2 H 11.409 -0.304 6.429 1.00 . A A . 11 NH2 HN2 1 1 15 2597 1 1 11 NH2 N N 10.631 -0.892 6.518 1.00 . A A . 11 NH2 N 1 1 15 2598 2 2 1 A2G C1 C 1.691 -16.675 10.207 1.00 . B A . 101 A2G C1 1 1 15 2599 2 2 1 A2G C2 C 1.951 -16.869 11.701 1.00 . B A . 101 A2G C2 1 1 15 2600 2 2 1 A2G C3 C 0.824 -17.710 12.302 1.00 . B A . 101 A2G C3 1 1 15 2601 2 2 1 A2G C4 C -0.525 -17.061 11.981 1.00 . B A . 101 A2G C4 1 1 15 2602 2 2 1 A2G C5 C -0.634 -16.834 10.472 1.00 . B A . 101 A2G C5 1 1 15 2603 2 2 1 A2G C6 C -1.941 -16.104 10.153 1.00 . B A . 101 A2G C6 1 1 15 2604 2 2 1 A2G C7 C 4.216 -16.932 12.575 1.00 . B A . 101 A2G C7 1 1 15 2605 2 2 1 A2G C8 C 5.550 -17.671 12.614 1.00 . B A . 101 A2G C8 1 1 15 2606 2 2 1 A2G H1 H 2.473 -16.062 9.784 1.00 . B A . 101 A2G H1 1 1 15 2607 2 2 1 A2G H14 H -2.194 -16.258 9.115 1.00 . B A . 101 A2G H14 1 1 15 2608 2 2 1 A2G H15 H -2.790 -17.539 11.154 1.00 . B A . 101 A2G H15 1 1 15 2609 2 2 1 A2G H2 H 1.968 -15.903 12.185 1.00 . B A . 101 A2G H2 1 1 15 2610 2 2 1 A2G H3 H 0.853 -18.704 11.882 1.00 . B A . 101 A2G H3 1 1 15 2611 2 2 1 A2G H4 H -1.323 -17.711 12.306 1.00 . B A . 101 A2G H4 1 1 15 2612 2 2 1 A2G H5 H -0.612 -17.783 9.958 1.00 . B A . 101 A2G H5 1 1 15 2613 2 2 1 A2G H6 H -1.818 -15.047 10.342 1.00 . B A . 101 A2G H6 1 1 15 2614 2 2 1 A2G H8 H 5.457 -18.546 13.240 1.00 . B A . 101 A2G H8 1 1 15 2615 2 2 1 A2G H8A H 6.310 -17.019 13.015 1.00 . B A . 101 A2G H8A 1 1 15 2616 2 2 1 A2G H8B H 5.823 -17.971 11.613 1.00 . B A . 101 A2G H8B 1 1 15 2617 2 2 1 A2G HN2 H 3.381 -18.424 11.535 1.00 . B A . 101 A2G HN2 1 1 15 2618 2 2 1 A2G HO3 H 1.449 -16.995 13.998 1.00 . B A . 101 A2G HO3 1 1 15 2619 2 2 1 A2G HO4 H -1.172 -15.941 13.433 1.00 . B A . 101 A2G HO4 1 1 15 2620 2 2 1 A2G N2 N 3.235 -17.529 11.906 1.00 . B A . 101 A2G N2 1 1 15 2621 2 2 1 A2G O O 0.447 -16.028 10.056 1.00 . B A . 101 A2G O 1 1 15 2622 2 2 1 A2G O3 O 0.988 -17.786 13.711 1.00 . B A . 101 A2G O3 1 1 15 2623 2 2 1 A2G O4 O -0.623 -15.815 12.656 1.00 . B A . 101 A2G O4 1 1 15 2624 2 2 1 A2G O6 O -2.980 -16.615 10.975 1.00 . B A . 101 A2G O6 1 1 15 2625 2 2 1 A2G O7 O 4.107 -15.805 13.058 1.00 . B A . 101 A2G O7 1 1 16 2626 1 1 1 ACE C C -0.020 -23.861 4.972 1.00 . A A . 1 ACE C 1 1 16 2627 1 1 1 ACE CH3 C -1.331 -23.978 4.201 1.00 . A A . 1 ACE CH3 1 1 16 2628 1 1 1 ACE H1 H -1.254 -24.776 3.478 1.00 . A A . 1 ACE H1 1 1 16 2629 1 1 1 ACE H2 H -1.532 -23.047 3.690 1.00 . A A . 1 ACE H2 1 1 16 2630 1 1 1 ACE H3 H -2.135 -24.192 4.889 1.00 . A A . 1 ACE H3 1 1 16 2631 1 1 1 ACE O O -0.015 -23.755 6.199 1.00 . A A . 1 ACE O 1 1 16 2632 1 1 2 PRO C C 2.495 -22.684 5.952 1.00 . A A . 2 PRO C 1 1 16 2633 1 1 2 PRO CA C 2.433 -23.775 4.886 1.00 . A A . 2 PRO CA 1 1 16 2634 1 1 2 PRO CB C 3.365 -23.442 3.710 1.00 . A A . 2 PRO CB 1 1 16 2635 1 1 2 PRO CD C 1.161 -24.000 2.819 1.00 . A A . 2 PRO CD 1 1 16 2636 1 1 2 PRO CG C 2.508 -23.367 2.480 1.00 . A A . 2 PRO CG 1 1 16 2637 1 1 2 PRO HA H 2.719 -24.724 5.312 1.00 . A A . 2 PRO HA 1 1 16 2638 1 1 2 PRO HB2 H 3.850 -22.493 3.883 1.00 . A A . 2 PRO HB2 1 1 16 2639 1 1 2 PRO HB3 H 4.104 -24.220 3.593 1.00 . A A . 2 PRO HB3 1 1 16 2640 1 1 2 PRO HD2 H 0.356 -23.456 2.343 1.00 . A A . 2 PRO HD2 1 1 16 2641 1 1 2 PRO HD3 H 1.144 -25.040 2.529 1.00 . A A . 2 PRO HD3 1 1 16 2642 1 1 2 PRO HG2 H 2.370 -22.333 2.193 1.00 . A A . 2 PRO HG2 1 1 16 2643 1 1 2 PRO HG3 H 2.972 -23.913 1.674 1.00 . A A . 2 PRO HG3 1 1 16 2644 1 1 2 PRO N N 1.082 -23.879 4.273 1.00 . A A . 2 PRO N 1 1 16 2645 1 1 2 PRO O O 1.631 -21.809 6.012 1.00 . A A . 2 PRO O 1 1 16 2646 1 1 3 PRO C C 3.452 -20.303 7.397 1.00 . A A . 3 PRO C 1 1 16 2647 1 1 3 PRO CA C 3.688 -21.733 7.877 1.00 . A A . 3 PRO CA 1 1 16 2648 1 1 3 PRO CB C 5.146 -21.926 8.323 1.00 . A A . 3 PRO CB 1 1 16 2649 1 1 3 PRO CD C 4.564 -23.726 6.778 1.00 . A A . 3 PRO CD 1 1 16 2650 1 1 3 PRO CG C 5.726 -23.014 7.467 1.00 . A A . 3 PRO CG 1 1 16 2651 1 1 3 PRO HA H 3.030 -21.960 8.700 1.00 . A A . 3 PRO HA 1 1 16 2652 1 1 3 PRO HB2 H 5.699 -21.007 8.180 1.00 . A A . 3 PRO HB2 1 1 16 2653 1 1 3 PRO HB3 H 5.179 -22.220 9.359 1.00 . A A . 3 PRO HB3 1 1 16 2654 1 1 3 PRO HD2 H 4.831 -23.995 5.765 1.00 . A A . 3 PRO HD2 1 1 16 2655 1 1 3 PRO HD3 H 4.264 -24.596 7.340 1.00 . A A . 3 PRO HD3 1 1 16 2656 1 1 3 PRO HG2 H 6.387 -22.583 6.727 1.00 . A A . 3 PRO HG2 1 1 16 2657 1 1 3 PRO HG3 H 6.268 -23.715 8.080 1.00 . A A . 3 PRO HG3 1 1 16 2658 1 1 3 PRO N N 3.498 -22.726 6.786 1.00 . A A . 3 PRO N 1 1 16 2659 1 1 3 PRO O O 3.741 -19.968 6.248 1.00 . A A . 3 PRO O 1 1 16 2660 1 1 4 THR C C 3.820 -17.182 8.358 1.00 . A A . 4 THR C 1 1 16 2661 1 1 4 THR CA C 2.656 -18.075 7.939 1.00 . A A . 4 THR CA 1 1 16 2662 1 1 4 THR CB C 1.375 -17.603 8.630 1.00 . A A . 4 THR CB 1 1 16 2663 1 1 4 THR CG2 C 0.220 -18.542 8.277 1.00 . A A . 4 THR CG2 1 1 16 2664 1 1 4 THR H H 2.716 -19.788 9.184 1.00 . A A . 4 THR H 1 1 16 2665 1 1 4 THR HA H 2.523 -17.998 6.871 1.00 . A A . 4 THR HA 1 1 16 2666 1 1 4 THR HB H 1.135 -16.601 8.311 1.00 . A A . 4 THR HB 1 1 16 2667 1 1 4 THR HG21 H 0.176 -19.345 8.998 1.00 . A A . 4 THR HG21 1 1 16 2668 1 1 4 THR HG22 H 0.377 -18.950 7.291 1.00 . A A . 4 THR HG22 1 1 16 2669 1 1 4 THR HG23 H -0.710 -17.992 8.295 1.00 . A A . 4 THR HG23 1 1 16 2670 1 1 4 THR N N 2.925 -19.465 8.283 1.00 . A A . 4 THR N 1 1 16 2671 1 1 4 THR O O 4.344 -17.310 9.465 1.00 . A A . 4 THR O 1 1 16 2672 1 1 4 THR OG1 O 1.578 -17.636 10.026 1.00 . A A . 4 THR OG1 1 1 16 2673 1 1 5 THR C C 4.801 -13.969 8.044 1.00 . A A . 5 THR C 1 1 16 2674 1 1 5 THR CA C 5.323 -15.373 7.757 1.00 . A A . 5 THR CA 1 1 16 2675 1 1 5 THR CB C 6.289 -15.329 6.570 1.00 . A A . 5 THR CB 1 1 16 2676 1 1 5 THR CG2 C 6.794 -16.738 6.259 1.00 . A A . 5 THR CG2 1 1 16 2677 1 1 5 THR H H 3.765 -16.225 6.602 1.00 . A A . 5 THR H 1 1 16 2678 1 1 5 THR HA H 5.855 -15.733 8.625 1.00 . A A . 5 THR HA 1 1 16 2679 1 1 5 THR HB H 7.126 -14.690 6.804 1.00 . A A . 5 THR HB 1 1 16 2680 1 1 5 THR HG21 H 6.212 -17.159 5.453 1.00 . A A . 5 THR HG21 1 1 16 2681 1 1 5 THR HG22 H 6.694 -17.358 7.137 1.00 . A A . 5 THR HG22 1 1 16 2682 1 1 5 THR HG23 H 7.832 -16.693 5.968 1.00 . A A . 5 THR HG23 1 1 16 2683 1 1 5 THR N N 4.219 -16.281 7.468 1.00 . A A . 5 THR N 1 1 16 2684 1 1 5 THR O O 3.854 -13.507 7.407 1.00 . A A . 5 THR O 1 1 16 2685 1 1 5 THR OG1 O 5.596 -14.835 5.445 1.00 . A A . 5 THR OG1 1 1 16 2686 1 1 6 THR C C 5.996 -10.918 8.810 1.00 . A A . 6 THR C 1 1 16 2687 1 1 6 THR CA C 5.015 -11.944 9.367 1.00 . A A . 6 THR CA 1 1 16 2688 1 1 6 THR CB C 4.943 -11.810 10.890 1.00 . A A . 6 THR CB 1 1 16 2689 1 1 6 THR CG2 C 3.958 -12.834 11.455 1.00 . A A . 6 THR CG2 1 1 16 2690 1 1 6 THR H H 6.174 -13.714 9.478 1.00 . A A . 6 THR H 1 1 16 2691 1 1 6 THR HA H 4.035 -11.753 8.954 1.00 . A A . 6 THR HA 1 1 16 2692 1 1 6 THR HB H 4.619 -10.816 11.155 1.00 . A A . 6 THR HB 1 1 16 2693 1 1 6 THR HG21 H 4.476 -13.761 11.650 1.00 . A A . 6 THR HG21 1 1 16 2694 1 1 6 THR HG22 H 3.168 -13.006 10.739 1.00 . A A . 6 THR HG22 1 1 16 2695 1 1 6 THR HG23 H 3.535 -12.457 12.374 1.00 . A A . 6 THR HG23 1 1 16 2696 1 1 6 THR N N 5.426 -13.296 9.005 1.00 . A A . 6 THR N 1 1 16 2697 1 1 6 THR O O 7.195 -11.181 8.714 1.00 . A A . 6 THR O 1 1 16 2698 1 1 6 THR OG1 O 6.223 -12.066 11.425 1.00 . A A . 6 THR OG1 1 1 16 2699 1 1 7 THR C C 6.628 -7.646 8.966 1.00 . A A . 7 THR C 1 1 16 2700 1 1 7 THR CA C 6.321 -8.691 7.898 1.00 . A A . 7 THR CA 1 1 16 2701 1 1 7 THR CB C 5.617 -8.022 6.714 1.00 . A A . 7 THR CB 1 1 16 2702 1 1 7 THR CG2 C 5.218 -9.080 5.684 1.00 . A A . 7 THR CG2 1 1 16 2703 1 1 7 THR H H 4.517 -9.597 8.544 1.00 . A A . 7 THR H 1 1 16 2704 1 1 7 THR HA H 7.248 -9.122 7.553 1.00 . A A . 7 THR HA 1 1 16 2705 1 1 7 THR HB H 6.277 -7.304 6.255 1.00 . A A . 7 THR HB 1 1 16 2706 1 1 7 THR HG21 H 4.246 -9.479 5.935 1.00 . A A . 7 THR HG21 1 1 16 2707 1 1 7 THR HG22 H 5.945 -9.878 5.687 1.00 . A A . 7 THR HG22 1 1 16 2708 1 1 7 THR HG23 H 5.179 -8.630 4.703 1.00 . A A . 7 THR HG23 1 1 16 2709 1 1 7 THR N N 5.479 -9.750 8.444 1.00 . A A . 7 THR N 1 1 16 2710 1 1 7 THR O O 5.720 -7.083 9.577 1.00 . A A . 7 THR O 1 1 16 2711 1 1 7 THR OG1 O 4.451 -7.383 7.187 1.00 . A A . 7 THR OG1 1 1 16 2712 1 1 8 LYS C C 8.229 -4.997 9.617 1.00 . A A . 8 LYS C 1 1 16 2713 1 1 8 LYS CA C 8.330 -6.411 10.180 1.00 . A A . 8 LYS CA 1 1 16 2714 1 1 8 LYS CB C 9.770 -6.686 10.615 1.00 . A A . 8 LYS CB 1 1 16 2715 1 1 8 LYS CD C 9.278 -6.463 13.055 1.00 . A A . 8 LYS CD 1 1 16 2716 1 1 8 LYS CE C 10.177 -6.574 14.287 1.00 . A A . 8 LYS CE 1 1 16 2717 1 1 8 LYS CG C 10.083 -5.893 11.885 1.00 . A A . 8 LYS CG 1 1 16 2718 1 1 8 LYS H H 8.595 -7.870 8.667 1.00 . A A . 8 LYS H 1 1 16 2719 1 1 8 LYS HA H 7.685 -6.491 11.042 1.00 . A A . 8 LYS HA 1 1 16 2720 1 1 8 LYS HB2 H 9.892 -7.742 10.811 1.00 . A A . 8 LYS HB2 1 1 16 2721 1 1 8 LYS HB3 H 10.447 -6.385 9.830 1.00 . A A . 8 LYS HB3 1 1 16 2722 1 1 8 LYS HD2 H 8.446 -5.808 13.272 1.00 . A A . 8 LYS HD2 1 1 16 2723 1 1 8 LYS HD3 H 8.907 -7.443 12.793 1.00 . A A . 8 LYS HD3 1 1 16 2724 1 1 8 LYS HE2 H 9.599 -6.940 15.123 1.00 . A A . 8 LYS HE2 1 1 16 2725 1 1 8 LYS HE3 H 10.986 -7.259 14.082 1.00 . A A . 8 LYS HE3 1 1 16 2726 1 1 8 LYS HG2 H 11.138 -5.964 12.104 1.00 . A A . 8 LYS HG2 1 1 16 2727 1 1 8 LYS HG3 H 9.814 -4.858 11.737 1.00 . A A . 8 LYS HG3 1 1 16 2728 1 1 8 LYS HZ1 H 10.196 -4.817 15.406 1.00 . A A . 8 LYS HZ1 1 1 16 2729 1 1 8 LYS HZ2 H 10.663 -4.613 13.785 1.00 . A A . 8 LYS HZ2 1 1 16 2730 1 1 8 LYS HZ3 H 11.731 -5.329 14.897 1.00 . A A . 8 LYS HZ3 1 1 16 2731 1 1 8 LYS N N 7.914 -7.391 9.184 1.00 . A A . 8 LYS N 1 1 16 2732 1 1 8 LYS NZ N 10.734 -5.232 14.618 1.00 . A A . 8 LYS NZ 1 1 16 2733 1 1 8 LYS O O 9.224 -4.278 9.535 1.00 . A A . 8 LYS O 1 1 16 2734 1 1 9 LYS C C 8.105 -2.696 8.138 1.00 . A A . 9 LYS C 1 1 16 2735 1 1 9 LYS CA C 6.799 -3.276 8.674 1.00 . A A . 9 LYS CA 1 1 16 2736 1 1 9 LYS CB C 6.229 -2.347 9.748 1.00 . A A . 9 LYS CB 1 1 16 2737 1 1 9 LYS CD C 4.941 -0.244 10.154 1.00 . A A . 9 LYS CD 1 1 16 2738 1 1 9 LYS CE C 5.631 1.117 10.071 1.00 . A A . 9 LYS CE 1 1 16 2739 1 1 9 LYS CG C 5.512 -1.172 9.080 1.00 . A A . 9 LYS CG 1 1 16 2740 1 1 9 LYS H H 6.261 -5.221 9.321 1.00 . A A . 9 LYS H 1 1 16 2741 1 1 9 LYS HA H 6.089 -3.348 7.863 1.00 . A A . 9 LYS HA 1 1 16 2742 1 1 9 LYS HB2 H 5.529 -2.895 10.362 1.00 . A A . 9 LYS HB2 1 1 16 2743 1 1 9 LYS HB3 H 7.032 -1.972 10.363 1.00 . A A . 9 LYS HB3 1 1 16 2744 1 1 9 LYS HD2 H 3.879 -0.122 9.996 1.00 . A A . 9 LYS HD2 1 1 16 2745 1 1 9 LYS HD3 H 5.113 -0.675 11.129 1.00 . A A . 9 LYS HD3 1 1 16 2746 1 1 9 LYS HE2 H 6.702 0.982 10.114 1.00 . A A . 9 LYS HE2 1 1 16 2747 1 1 9 LYS HE3 H 5.366 1.600 9.143 1.00 . A A . 9 LYS HE3 1 1 16 2748 1 1 9 LYS HG2 H 6.212 -0.626 8.466 1.00 . A A . 9 LYS HG2 1 1 16 2749 1 1 9 LYS HG3 H 4.706 -1.546 8.465 1.00 . A A . 9 LYS HG3 1 1 16 2750 1 1 9 LYS HZ1 H 4.255 2.364 11.013 1.00 . A A . 9 LYS HZ1 1 1 16 2751 1 1 9 LYS HZ2 H 5.876 2.740 11.354 1.00 . A A . 9 LYS HZ2 1 1 16 2752 1 1 9 LYS HZ3 H 5.144 1.389 12.078 1.00 . A A . 9 LYS HZ3 1 1 16 2753 1 1 9 LYS N N 7.018 -4.606 9.230 1.00 . A A . 9 LYS N 1 1 16 2754 1 1 9 LYS NZ N 5.194 1.967 11.216 1.00 . A A . 9 LYS NZ 1 1 16 2755 1 1 9 LYS O O 8.574 -1.658 8.606 1.00 . A A . 9 LYS O 1 1 16 2756 1 1 10 PRO C C 9.975 -1.407 6.265 1.00 . A A . 10 PRO C 1 1 16 2757 1 1 10 PRO CA C 9.968 -2.907 6.554 1.00 . A A . 10 PRO CA 1 1 16 2758 1 1 10 PRO CB C 10.063 -3.714 5.249 1.00 . A A . 10 PRO CB 1 1 16 2759 1 1 10 PRO CD C 8.198 -4.584 6.564 1.00 . A A . 10 PRO CD 1 1 16 2760 1 1 10 PRO CG C 8.838 -4.577 5.177 1.00 . A A . 10 PRO CG 1 1 16 2761 1 1 10 PRO HA H 10.797 -3.162 7.193 1.00 . A A . 10 PRO HA 1 1 16 2762 1 1 10 PRO HB2 H 10.094 -3.042 4.402 1.00 . A A . 10 PRO HB2 1 1 16 2763 1 1 10 PRO HB3 H 10.946 -4.334 5.262 1.00 . A A . 10 PRO HB3 1 1 16 2764 1 1 10 PRO HD2 H 7.119 -4.568 6.484 1.00 . A A . 10 PRO HD2 1 1 16 2765 1 1 10 PRO HD3 H 8.529 -5.439 7.132 1.00 . A A . 10 PRO HD3 1 1 16 2766 1 1 10 PRO HG2 H 8.146 -4.171 4.452 1.00 . A A . 10 PRO HG2 1 1 16 2767 1 1 10 PRO HG3 H 9.112 -5.583 4.901 1.00 . A A . 10 PRO HG3 1 1 16 2768 1 1 10 PRO N N 8.691 -3.349 7.172 1.00 . A A . 10 PRO N 1 1 16 2769 1 1 10 PRO O O 8.933 -0.757 6.335 1.00 . A A . 10 PRO O 1 1 16 2770 1 1 11 NH2 HN1 H 11.729 -1.268 5.345 1.00 . A A . 11 NH2 HN1 1 1 16 2771 1 1 11 NH2 HN2 H 11.296 0.074 6.289 1.00 . A A . 11 NH2 HN2 1 1 16 2772 1 1 11 NH2 N N 11.094 -0.820 5.941 1.00 . A A . 11 NH2 N 1 1 16 2773 2 2 1 A2G C1 C 1.671 -16.348 10.592 1.00 . B A . 101 A2G C1 1 1 16 2774 2 2 1 A2G C2 C 2.057 -16.496 12.065 1.00 . B A . 101 A2G C2 1 1 16 2775 2 2 1 A2G C3 C 0.957 -17.264 12.803 1.00 . B A . 101 A2G C3 1 1 16 2776 2 2 1 A2G C4 C -0.393 -16.582 12.567 1.00 . B A . 101 A2G C4 1 1 16 2777 2 2 1 A2G C5 C -0.626 -16.402 11.064 1.00 . B A . 101 A2G C5 1 1 16 2778 2 2 1 A2G C6 C -1.926 -15.630 10.833 1.00 . B A . 101 A2G C6 1 1 16 2779 2 2 1 A2G C7 C 4.377 -16.638 12.766 1.00 . B A . 101 A2G C7 1 1 16 2780 2 2 1 A2G C8 C 5.656 -17.468 12.803 1.00 . B A . 101 A2G C8 1 1 16 2781 2 2 1 A2G H1 H 2.434 -15.780 10.081 1.00 . B A . 101 A2G H1 1 1 16 2782 2 2 1 A2G H14 H -2.554 -16.178 10.146 1.00 . B A . 101 A2G H14 1 1 16 2783 2 2 1 A2G H15 H -2.702 -16.334 12.471 1.00 . B A . 101 A2G H15 1 1 16 2784 2 2 1 A2G H2 H 2.157 -15.514 12.505 1.00 . B A . 101 A2G H2 1 1 16 2785 2 2 1 A2G H3 H 0.919 -18.278 12.435 1.00 . B A . 101 A2G H3 1 1 16 2786 2 2 1 A2G H4 H -1.181 -17.191 12.981 1.00 . B A . 101 A2G H4 1 1 16 2787 2 2 1 A2G H5 H -0.687 -17.368 10.586 1.00 . B A . 101 A2G H5 1 1 16 2788 2 2 1 A2G H6 H -1.699 -14.659 10.417 1.00 . B A . 101 A2G H6 1 1 16 2789 2 2 1 A2G H8 H 5.670 -18.067 13.701 1.00 . B A . 101 A2G H8 1 1 16 2790 2 2 1 A2G H8A H 6.512 -16.810 12.794 1.00 . B A . 101 A2G H8A 1 1 16 2791 2 2 1 A2G H8B H 5.690 -18.114 11.938 1.00 . B A . 101 A2G H8B 1 1 16 2792 2 2 1 A2G HN2 H 3.406 -18.111 11.823 1.00 . B A . 101 A2G HN2 1 1 16 2793 2 2 1 A2G HO3 H 1.450 -16.379 14.462 1.00 . B A . 101 A2G HO3 1 1 16 2794 2 2 1 A2G HO4 H -0.068 -14.665 12.570 1.00 . B A . 101 A2G HO4 1 1 16 2795 2 2 1 A2G N2 N 3.326 -17.203 12.182 1.00 . B A . 101 A2G N2 1 1 16 2796 2 2 1 A2G O O 0.443 -15.657 10.525 1.00 . B A . 101 A2G O 1 1 16 2797 2 2 1 A2G O3 O 1.243 -17.277 14.193 1.00 . B A . 101 A2G O3 1 1 16 2798 2 2 1 A2G O4 O -0.397 -15.311 13.200 1.00 . B A . 101 A2G O4 1 1 16 2799 2 2 1 A2G O6 O -2.606 -15.468 12.069 1.00 . B A . 101 A2G O6 1 1 16 2800 2 2 1 A2G O7 O 4.350 -15.501 13.239 1.00 . B A . 101 A2G O7 1 1 stop_ save_
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